| 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 | 32.1 | Very low | 47.8 | Very low | 241 Ų | 241 | 121.3 Ų | 121.3 | 100% | 1.187 | 60% | 0.603 | S | S | * | * | 0 | 169.2 | 0 | -95.9 | 143.5 | 153.7 | 0 | 0 | 108.6 | L3 | M1-L3 PolarHBondContact O-N 3.28Š| |||
| 2 | H | 30.8 | Very low | 49.8 | Very low | 185 Ų | 185 | 121.7 Ų | 121.7 | 86% | 0.856 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -64 | 118.6 | 171.5 | -86.4 | -86.1 | 0 | 0 | 0 | 108.9 | ||
| 3 | L | 31.6 | Very low | 51.4 | Low | 114 Ų | 114 | 115.4 Ų | 115.4 | 60% | 0.597 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 136.9 | 161.3 | -71.5 | 162.6 | 0 | 0 | 0 | 107.7 | M1 D7 I11 | M1-L3 PolarHBondContact O-N 3.28Å; L3-D7 HydrophobicContact CB-CB 4.49Å; L3-D7 HydrophobicContact CD2-CB 3.65Å; L3-I11 HydrophobicContact CD2-CD1 4.45Å |
| 4 | T | 41.2 | Very low | 52.9 | Low | 73 Ų | 73 | 109.2 Ų | 109.2 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -95 | 163.8 | 169.7 | 63.5 | 0 | 0 | 0 | 0 | 109.8 | E6 D7 | T4-E6 PolarHBondContact O-N 3.19Å; T4-E6 VanDerWaalsContact O-N 3.16Å; T4-D7 PolarHBondContact N-OD2 3.35Å; T4-D7 WeakPolarHBondContact O-CB 3.37Å; T4-D7 PolarHBondContact O-N 3.02Å; T4-D7 PolarHBondContact OG1-N 3.08Å; T4-D7 PolarHBondContact OG1-OD2 3.18Å |
| 5 | E | 42 | Very low | 54.6 | Low | 167 Ų | 167 | 107.6 Ų | 107.6 | 78% | 0.78 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -18.6 | 174.6 | -63.3 | -177.7 | 153.3 | 0 | 0 | 112.2 | N9 | E5-N9 PolarHBondContact O-ND2 3.39Å |
| 6 | E | 47.1 | Very low | 56.3 | Low | 138 Ų | 138 | 104.8 Ų | 104.8 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.7 | -35.1 | 173.4 | -56.3 | -172.3 | 164.3 | 0 | 0 | 111.7 | T4 N10 | T4-E6 PolarHBondContact O-N 3.19Å; T4-E6 VanDerWaalsContact O-N 3.16Å; E6-N10 PolarHBondContact O-N 3.04Å; E6-N10 PolarHBondContact O-ND2 3.09Å |
| 7 | D | 52.8 | Low | 57.8 | Low | 61 Ų | 61 | 98.6 Ų | 98.6 | 33% | 0.326 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 177.3 | -63.7 | -67.7 | 0 | 0 | 0 | 112.2 | L3 T4 N9 N10 I11 | L3-D7 HydrophobicContact CB-CB 4.49Å; L3-D7 HydrophobicContact CD2-CB 3.65Å; T4-D7 PolarHBondContact N-OD2 3.35Å; T4-D7 WeakPolarHBondContact O-CB 3.37Å; T4-D7 PolarHBondContact O-N 3.02Å; T4-D7 PolarHBondContact OG1-N 3.08Å; T4-D7 PolarHBondContact OG1-OD2 3.18Å; D7-N9 PolarHBondContact O-N 3.08Å; D7-N10 PolarHBondContact O-N 3.03Å; D7-I11 WeakPolarHBondContact O-CB 3.26Å; D7-I11 WeakPolarHBondContact O-CD1 3.24Å; D7-I11 VanDerWaalsContact O-CG1 3.26Å; D7-I11 WeakPolarHBondContact O-CG1 3.17Å; D7-I11 PolarHBondContact O-N 3.48Å |
| 8 | E | 55.8 | Low | 59 | Low | 129 Ų | 129 | 97.2 Ų | 97.2 | 60% | 0.603 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.7 | -40.2 | -179.4 | -68.2 | -161.4 | 152.3 | 0 | 0 | 112.2 | I11 Q12 | E8-I11 PolarHBondContact O-N 2.72Å; E8-Q12 PolarHBondContact O-N 2.97Å |
| 9 | N | 59.8 | Low | 60.3 | Low | 97 Ų | 97 | 97 Ų | 97 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 175 | -79.2 | -81.5 | 0 | 0 | 0 | 111.4 | E5 D7 Q12 I13 | E5-N9 PolarHBondContact O-ND2 3.39Å; D7-N9 PolarHBondContact O-N 3.08Å; N9-Q12 PolarHBondContact O-N 3.2Å; N9-I13 WeakPolarHBondContact O-CG1 3.29Å; N9-I13 PolarHBondContact O-N 3.02Å |
| 10 | N | 64.1 | Low | 61.4 | Low | 47 Ų | 47 | 92.6 Ų | 92.6 | 25% | 0.251 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.1 | -71.6 | -34.3 | 0 | 0 | 0 | 111.7 | E6 D7 Q12 I13 I14 | E6-N10 PolarHBondContact O-N 3.04Å; E6-N10 PolarHBondContact O-ND2 3.09Å; D7-N10 PolarHBondContact O-N 3.03Å; N10-Q12 VanDerWaalsContact C-N 3.34Å; N10-Q12 PolarHBondContact O-N 3.4Å; N10-I13 PolarHBondContact O-N 3.25Å; N10-I14 WeakPolarHBondContact O-CB 3.34Å; N10-I14 WeakPolarHBondContact O-CD1 3.46Å; N10-I14 WeakPolarHBondContact O-CG1 3.4Å; N10-I14 PolarHBondContact O-N 2.92Å |
| 11 | I | 68.3 | Low | 62.4 | Low | 82 Ų | 82 | 88.4 Ų | 88.4 | 42% | 0.421 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 176 | -70 | 163.7 | 0 | 0 | 0 | 111.2 | L3 D7 E8 N15 | L3-I11 HydrophobicContact CD2-CD1 4.45Å; D7-I11 WeakPolarHBondContact O-CB 3.26Å; D7-I11 WeakPolarHBondContact O-CD1 3.24Å; D7-I11 VanDerWaalsContact O-CG1 3.26Å; D7-I11 WeakPolarHBondContact O-CG1 3.17Å; D7-I11 PolarHBondContact O-N 3.48Å; E8-I11 PolarHBondContact O-N 2.72Å; I11-N15 WeakPolarHBondContact O-CB 3.48Å; I11-N15 VanDerWaalsContact O-CG 3.28Å; I11-N15 PolarHBondContact O-N 3.4Å; I11-N15 PolarHBondContact O-ND2 3.02Å; I11-N15 VanDerWaalsContact O-ND2 3.13Å |
| 12 | Q | 71.6 | Confident | 64.8 | Low | 126 Ų | 126 | 82 Ų | 82 | 59% | 0.589 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.2 | -46.7 | 176.5 | -177.5 | 172.7 | -20.7 | 0 | 0 | 111.7 | E8 N9 N10 N15 E16 | E8-Q12 PolarHBondContact O-N 2.97Å; N9-Q12 PolarHBondContact O-N 3.2Å; N10-Q12 VanDerWaalsContact C-N 3.34Å; N10-Q12 PolarHBondContact O-N 3.4Å; Q12-N15 PolarHBondContact O-N 3.12Å; Q12-E16 PolarHBondContact O-N 2.58Å |
| 13 | I | 71.1 | Confident | 67.1 | Low | 40 Ų | 40 | 76.8 Ų | 76.8 | 21% | 0.205 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 179.1 | -64.9 | 164.6 | 0 | 0 | 0 | 111 | N9 N10 N15 E16 F17 L48 V62 | N9-I13 WeakPolarHBondContact O-CG1 3.29Å; N9-I13 PolarHBondContact O-N 3.02Å; N10-I13 PolarHBondContact O-N 3.25Å; I13-N15 VanDerWaalsContact C-N 3.33Å; I13-N15 PolarHBondContact O-N 2.73Å; I13-E16 PolarHBondContact O-N 3.39Å; I13-F17 WeakPolarHBondContact O-CB 3.1Å; I13-F17 PolarHBondContact O-N 2.88Å; I13-L48 HydrophobicContact CG2-CD2 4.24Å; I13-V62 HydrophobicContact CG2-CG2 3.71Å |
| 14 | I | 72.5 | Confident | 69.4 | Low | 29 Ų | 29 | 71.4 Ų | 71.4 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 176.8 | -68.6 | 161.9 | 0 | 0 | 0 | 111.3 | N10 K18 I61 M65 | N10-I14 WeakPolarHBondContact O-CB 3.34Å; N10-I14 WeakPolarHBondContact O-CD1 3.46Å; N10-I14 WeakPolarHBondContact O-CG1 3.4Å; N10-I14 PolarHBondContact O-N 2.92Å; I14-K18 HydrophobicContact CG2-CD 4.41Å; I14-K18 WeakPolarHBondContact O-CG 3.34Å; I14-K18 PolarHBondContact O-N 3.13Å; I14-I61 HydrophobicContact CD1-CB 4.45Å; I14-I61 HydrophobicContact CD1-CG2 3.65Å; I14-I61 HydrophobicContact CG1-CG2 4.37Å; I14-M65 HydrophobicContact CG2-SD 3.95Å |
| 15 | N | 78 | Confident | 71.2 | Confident | 85 Ų | 85 | 70 Ų | 70 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.7 | -39.6 | 176.3 | -73.8 | -31.9 | 0 | 0 | 0 | 112 | I11 Q12 I13 K18 V19 | I11-N15 WeakPolarHBondContact O-CB 3.48Å; I11-N15 VanDerWaalsContact O-CG 3.28Å; I11-N15 PolarHBondContact O-N 3.4Å; I11-N15 PolarHBondContact O-ND2 3.02Å; I11-N15 VanDerWaalsContact O-ND2 3.13Å; Q12-N15 PolarHBondContact O-N 3.12Å; I13-N15 VanDerWaalsContact C-N 3.33Å; I13-N15 PolarHBondContact O-N 2.73Å; N15-K18 PolarHBondContact O-N 2.95Å; N15-V19 WeakPolarHBondContact O-CB 3.12Å; N15-V19 VanDerWaalsContact O-CG2 3.29Å; N15-V19 WeakPolarHBondContact O-CG2 3.45Å; N15-V19 PolarHBondContact O-N 3.13Å |
| 16 | E | 81.6 | Confident | 72.9 | Confident | 62 Ų | 62 | 65.4 Ų | 65.4 | 29% | 0.29 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 175.1 | -167.5 | 178.4 | 153.3 | 0 | 0 | 111.8 | Q12 I13 T20 R44 L48 | Q12-E16 PolarHBondContact O-N 2.58Å; I13-E16 PolarHBondContact O-N 3.39Å; E16-T20 VanDerWaalsContact O-CB 3.32Å; E16-T20 WeakPolarHBondContact O-CB 3.45Å; E16-T20 PolarHBondContact O-N 2.69Å; E16-T20 PolarHBondContact O-OG1 2.96Å; E16-R44 VanDerWaalsContact CD-NH2 3.33Å; E16-R44 IonicContact OE1-CZ 2.76Å; E16-R44 IonicContact OE1-NE 2.85Å; E16-R44 PolarHBondContact OE1-NE 3.43Å; E16-R44 IonicContact OE1-NH2 3.51Å; E16-R44 PolarHBondContact OE1-NH2 3.37Å; E16-L48 HydrophobicContact CB-CD1 4.41Å; E16-L48 HydrophobicContact CB-CD2 4.29Å; E16-L48 HydrophobicContact CG-CD1 4Å; E16-L48 HydrophobicContact CG-CD2 4.18Å |
| 17 | F | 81.7 | Confident | 74.1 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.3 | -52.1 | 173.4 | -179.9 | -93.3 | 0 | 0 | 0 | 111.3 | I13 V19 T20 W21 L45 L48 M49 V62 M65 A66 L69 V71 | I13-F17 WeakPolarHBondContact O-CB 3.1Å; I13-F17 PolarHBondContact O-N 2.88Å; F17-V19 PolarHBondContact O-N 3.17Å; F17-T20 PolarHBondContact O-N 3.44Å; F17-W21 WeakPolarHBondContact O-CB 3.34Å; F17-W21 PolarHBondContact O-N 3.39Å; F17-L45 HydrophobicContact CD2-CD2 3.6Å; F17-L45 HydrophobicContact CE2-CD2 3.58Å; F17-L45 HydrophobicContact CG-CD2 4.3Å; F17-L45 HydrophobicContact CZ-CD2 4.25Å; F17-L48 HydrophobicContact CB-CD1 4.45Å; F17-L48 HydrophobicContact CD2-CB 4.34Å; F17-M49 HydrophobicContact CD2-CG 4.42Å; F17-M49 HydrophobicContact CE2-CE 4.4Å; F17-M49 HydrophobicContact CE2-CG 3.89Å; F17-M49 HydrophobicContact CE2-SD 4.23Å; F17-V62 HydrophobicContact CB-CG1 4.02Å; F17-V62 HydrophobicContact CD1-CG1 4.32Å; F17-V62 HydrophobicContact CD2-CG1 3.49Å; F17-V62 VanDerWaalsContact CD2-CG1 3.49Å; F17-V62 HydrophobicContact CE2-CG1 4.01Å; F17-V62 HydrophobicContact CG-CG1 3.67Å; F17-M65 HydrophobicContact CD1-CG 4.35Å; F17-M65 HydrophobicContact CE1-CG 4.39Å; F17-A66 HydrophobicContact CE1-CB 4.31Å; F17-A66 HydrophobicContact CE2-CB 4.49Å; F17-A66 HydrophobicContact CZ-CB 3.68Å; F17-L69 HydrophobicContact CE1-CD1 4.19Å; F17-V71 HydrophobicContact CZ-CG2 4.33Å |
| 18 | K | 80.4 | Confident | 75.1 | Confident | 72 Ų | 72 | 60.7 Ų | 60.7 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 177.1 | -75.8 | 177 | -175.9 | 177.9 | 0 | 112.5 | I14 N15 T20 W21 F22 M65 | I14-K18 HydrophobicContact CG2-CD 4.41Å; I14-K18 WeakPolarHBondContact O-CG 3.34Å; I14-K18 PolarHBondContact O-N 3.13Å; N15-K18 PolarHBondContact O-N 2.95Å; K18-T20 VanDerWaalsContact C-N 3.32Å; K18-T20 PolarHBondContact O-N 2.87Å; K18-W21 PolarHBondContact O-N 2.88Å; K18-F22 HydrophobicContact CB-CD2 4.29Å; K18-F22 HydrophobicContact CB-CE2 4.27Å; K18-F22 HydrophobicContact CG-CE2 4.47Å; K18-F22 WeakPolarHBondContact O-CD2 3.36Å; K18-F22 PolarHBondContact O-N 3.4Å; K18-M65 HydrophobicContact CD-SD 4.49Å; K18-M65 WeakPolarHBondContact CE-SD 3.15Å |
| 19 | V | 83.2 | Confident | 75.7 | Confident | 94 Ų | 94 | 60.1 Ų | 60.1 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.2 | -42.3 | 179.5 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | N15 F17 T23 | N15-V19 WeakPolarHBondContact O-CB 3.12Å; N15-V19 VanDerWaalsContact O-CG2 3.29Å; N15-V19 WeakPolarHBondContact O-CG2 3.45Å; N15-V19 PolarHBondContact O-N 3.13Å; F17-V19 PolarHBondContact O-N 3.17Å; V19-T23 VanDerWaalsContact O-CB 3.22Å; V19-T23 WeakPolarHBondContact O-CB 3.47Å; V19-T23 PolarHBondContact O-N 3.37Å; V19-T23 PolarHBondContact O-OG1 3.22Å |
| 20 | T | 82.1 | Confident | 75.9 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.049 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 176.9 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | E16 F17 K18 T23 L24 R44 L45 | E16-T20 VanDerWaalsContact O-CB 3.32Å; E16-T20 WeakPolarHBondContact O-CB 3.45Å; E16-T20 PolarHBondContact O-N 2.69Å; E16-T20 PolarHBondContact O-OG1 2.96Å; F17-T20 PolarHBondContact O-N 3.44Å; K18-T20 VanDerWaalsContact C-N 3.32Å; K18-T20 PolarHBondContact O-N 2.87Å; T20-T23 PolarHBondContact O-N 3.34Å; T20-L24 WeakPolarHBondContact O-CB 3.39Å; T20-L24 PolarHBondContact O-N 2.82Å; T20-R44 HydrophobicContact CG2-CB 4.18Å; T20-R44 HydrophobicContact CG2-CG 4.28Å; T20-L45 HydrophobicContact CG2-CD1 4.38Å; T20-L45 HydrophobicContact CG2-CD2 3.92Å; T20-L45 HydrophobicContact CG2-CG 3.76Å |
| 21 | W | 82.5 | Confident | 75.8 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 2% | 0.023 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.7 | -51.8 | 179 | 178.9 | -115.3 | 0 | 0 | 0 | 112.6 | F17 K18 T23 L24 L25 L45 V71 T74 L75 W78 | F17-W21 WeakPolarHBondContact O-CB 3.34Å; F17-W21 PolarHBondContact O-N 3.39Å; K18-W21 PolarHBondContact O-N 2.88Å; W21-T23 VanDerWaalsContact C-N 3.29Å; W21-T23 PolarHBondContact O-N 3.11Å; W21-L24 HydrophobicContact CE3-CD2 3.73Å; W21-L24 HydrophobicContact CZ3-CD2 3.54Å; W21-L24 WeakPolarHBondContact O-CB 3.45Å; W21-L24 PolarHBondContact O-N 3.45Å; W21-L25 WeakPolarHBondContact O-CB 3.5Å; W21-L25 PolarHBondContact O-N 3.48Å; W21-L45 HydrophobicContact CB-CD2 4.19Å; W21-L45 HydrophobicContact CE3-CD1 3.83Å; W21-L45 HydrophobicContact CZ3-CD1 4.43Å; W21-V71 HydrophobicContact CD2-CG2 3.97Å; W21-V71 HydrophobicContact CE3-CG1 4.16Å; W21-V71 HydrophobicContact CE3-CG2 4.21Å; W21-V71 HydrophobicContact CH2-CB 4.35Å; W21-V71 HydrophobicContact CH2-CG1 4.01Å; W21-V71 HydrophobicContact CH2-CG2 4.32Å; W21-V71 HydrophobicContact CZ2-CB 4.44Å; W21-V71 HydrophobicContact CZ2-CG2 4.05Å; W21-V71 HydrophobicContact CZ3-CB 4.49Å; W21-V71 HydrophobicContact CZ3-CG1 3.77Å; W21-V71 HydrophobicContact CZ3-CG2 4.37Å; W21-T74 WeakPolarHBondContact CH2-OG1 3.42Å; W21-T74 WeakPolarHBondContact CZ2-OG1 3.21Å; W21-L75 HydrophobicContact CH2-CG 4.46Å; W21-L75 HydrophobicContact CZ3-CD2 4.28Å; W21-L75 HydrophobicContact CZ3-CG 4.44Å; W21-W78 HydrophobicContact CH2-CH2 4.1Å; W21-W78 HydrophobicContact CH2-CZ2 4.41Å; W21-W78 HydrophobicContact CZ3-CH2 4.23Å |
| 22 | F | 82.2 | Confident | 75.6 | Confident | 106 Ų | 106 | 59 Ų | 59 | 47% | 0.465 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67 | -30.4 | 178.8 | -69.3 | -60.5 | 0 | 0 | 0 | 112.5 | K18 L25 S26 L69 | K18-F22 HydrophobicContact CB-CD2 4.29Å; K18-F22 HydrophobicContact CB-CE2 4.27Å; K18-F22 HydrophobicContact CG-CE2 4.47Å; K18-F22 WeakPolarHBondContact O-CD2 3.36Å; K18-F22 PolarHBondContact O-N 3.4Å; F22-L25 HydrophobicContact CD1-CD2 4.42Å; F22-S26 VanDerWaalsContact O-CB 3.24Å; F22-S26 WeakPolarHBondContact O-CB 3.36Å; F22-S26 PolarHBondContact O-N 3Å; F22-S26 PolarHBondContact O-OG 2.96Å; F22-L69 HydrophobicContact CZ-CD2 4.4Å |
| 23 | T | 78.6 | Confident | 75.4 | Confident | 76 Ų | 76 | 56.3 Ų | 56.3 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 172.3 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | V19 T20 W21 S26 R27 | V19-T23 VanDerWaalsContact O-CB 3.22Å; V19-T23 WeakPolarHBondContact O-CB 3.47Å; V19-T23 PolarHBondContact O-N 3.37Å; V19-T23 PolarHBondContact O-OG1 3.22Å; T20-T23 PolarHBondContact O-N 3.34Å; W21-T23 VanDerWaalsContact C-N 3.29Å; W21-T23 PolarHBondContact O-N 3.11Å; T23-S26 PolarHBondContact O-OG 3.2Å; T23-S26 VanDerWaalsContact O-OG 3.12Å; T23-R27 WeakPolarHBondContact O-CB 3.42Å; T23-R27 PolarHBondContact O-N 2.91Å |
| 24 | L | 80.1 | Confident | 75.1 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -54.8 | 175.7 | 176.7 | 84.4 | 0 | 0 | 0 | 110.8 | T20 W21 S26 R27 V28 V38 S41 L42 L45 W78 | T20-L24 WeakPolarHBondContact O-CB 3.39Å; T20-L24 PolarHBondContact O-N 2.82Å; W21-L24 HydrophobicContact CE3-CD2 3.73Å; W21-L24 HydrophobicContact CZ3-CD2 3.54Å; W21-L24 WeakPolarHBondContact O-CB 3.45Å; W21-L24 PolarHBondContact O-N 3.45Å; L24-S26 PolarHBondContact O-N 3.18Å; L24-R27 WeakPolarHBondContact O-CB 3.34Å; L24-R27 PolarHBondContact O-N 2.97Å; L24-V28 PolarHBondContact O-N 3.17Å; L24-V28 VanDerWaalsContact O-N 3.12Å; L24-V38 HydrophobicContact CD1-CB 4.32Å; L24-V38 HydrophobicContact CD1-CG1 3.74Å; L24-S41 WeakPolarHBondContact CD1-OG 3.34Å; L24-L42 HydrophobicContact CD1-CD2 4.45Å; L24-L42 HydrophobicContact CD1-CG 4.3Å; L24-L42 HydrophobicContact CD2-CD2 3.97Å; L24-L45 HydrophobicContact CD2-CD1 3.65Å; L24-W78 HydrophobicContact CD1-CZ3 4.32Å; L24-W78 HydrophobicContact CD2-CH2 3.6Å; L24-W78 HydrophobicContact CD2-CZ3 3.71Å; L24-W78 HydrophobicContact CG-CH2 3.66Å; L24-W78 HydrophobicContact CG-CZ3 3.88Å |
| 25 | L | 80.8 | Confident | 74.9 | Confident | 43 Ų | 43 | 57 Ų | 57 | 23% | 0.225 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.7 | -54.2 | 179.4 | 179.2 | 62.2 | 0 | 0 | 0 | 111.5 | W21 F22 R27 V28 D29 W78 | W21-L25 WeakPolarHBondContact O-CB 3.5Å; W21-L25 PolarHBondContact O-N 3.48Å; F22-L25 HydrophobicContact CD1-CD2 4.42Å; L25-R27 PolarHBondContact O-N 3.45Å; L25-V28 PolarHBondContact O-N 2.88Å; L25-V28 VanDerWaalsContact O-N 3.13Å; L25-D29 VanDerWaalsContact O-CG 3.3Å; L25-D29 PolarHBondContact O-N 3.32Å; L25-W78 HydrophobicContact CD1-CZ2 3.91Å |
| 26 | S | 76.6 | Confident | 74.5 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 49% | 0.49 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.8 | -18 | 179 | 69.2 | 0 | 0 | 0 | 0 | 114.7 | F22 T23 L24 A30 | F22-S26 VanDerWaalsContact O-CB 3.24Å; F22-S26 WeakPolarHBondContact O-CB 3.36Å; F22-S26 PolarHBondContact O-N 3Å; F22-S26 PolarHBondContact O-OG 2.96Å; T23-S26 PolarHBondContact O-OG 3.2Å; T23-S26 VanDerWaalsContact O-OG 3.12Å; L24-S26 PolarHBondContact O-N 3.18Å; S26-A30 WeakPolarHBondContact O-CB 3.41Å; S26-A30 PolarHBondContact O-N 2.97Å |
| 27 | R | 73.2 | Confident | 73.9 | Confident | 95 Ų | 95 | 61.5 Ų | 61.5 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -84.9 | -42.3 | 175.5 | -165.3 | 178.8 | -168.6 | 87.4 | 4.8 | 111.7 | T23 L24 L25 A30 A31 D35 | T23-R27 WeakPolarHBondContact O-CB 3.42Å; T23-R27 PolarHBondContact O-N 2.91Å; L24-R27 WeakPolarHBondContact O-CB 3.34Å; L24-R27 PolarHBondContact O-N 2.97Å; L25-R27 PolarHBondContact O-N 3.45Å; R27-A30 PolarHBondContact O-N 3.41Å; R27-A31 PolarHBondContact O-N 3.47Å; R27-D35 IonicContact CZ-OD2 2.63Å; R27-D35 IonicContact NE-OD2 3.23Å; R27-D35 PolarHBondContact NE-OD2 2.99Å; R27-D35 IonicContact NH2-OD2 3.12Å; R27-D35 PolarHBondContact NH2-OD2 2.64Å |
| 28 | V | 72.1 | Confident | 73.5 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 175.9 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | L24 L25 A30 A31 V38 W78 V81 F82 | L24-V28 PolarHBondContact O-N 3.17Å; L24-V28 VanDerWaalsContact O-N 3.12Å; L25-V28 PolarHBondContact O-N 2.88Å; L25-V28 VanDerWaalsContact O-N 3.13Å; V28-A30 VanDerWaalsContact C-N 3.26Å; V28-A30 PolarHBondContact O-N 3.19Å; V28-A31 CarbonylContact O-C 3.55Å; V28-A31 PolarHBondContact O-N 2.99Å; V28-V38 HydrophobicContact CG2-CG1 4.46Å; V28-W78 HydrophobicContact CB-CH2 4.46Å; V28-W78 HydrophobicContact CB-CZ2 4.1Å; V28-W78 HydrophobicContact CG1-CD2 4.03Å; V28-W78 HydrophobicContact CG1-CG 4.23Å; V28-W78 HydrophobicContact CG1-CZ2 4.36Å; V28-W78 HydrophobicContact CG2-CD2 4.33Å; V28-W78 HydrophobicContact CG2-CE3 4.16Å; V28-W78 HydrophobicContact CG2-CH2 3.94Å; V28-W78 HydrophobicContact CG2-CZ2 4.08Å; V28-W78 HydrophobicContact CG2-CZ3 3.95Å; V28-V81 HydrophobicContact CG1-CG1 4.44Å; V28-F82 HydrophobicContact CG1-CZ 3.94Å; V28-F82 HydrophobicContact CG2-CZ 4.21Å |
| 29 | D | 70.2 | Confident | 73 | Confident | 117 Ų | 117 | 59.4 Ų | 59.4 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -31.4 | 175 | -66.2 | -22 | 0 | 0 | 0 | 112.9 | L25 | L25-D29 VanDerWaalsContact O-CG 3.3Å; L25-D29 PolarHBondContact O-N 3.32Å |
| 30 | A | 62.6 | Low | 72.7 | Confident | 85 Ų | 85 | 58.7 Ų | 58.7 | 70% | 0.702 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -29.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S26 R27 V28 | S26-A30 WeakPolarHBondContact O-CB 3.41Å; S26-A30 PolarHBondContact O-N 2.97Å; R27-A30 PolarHBondContact O-N 3.41Å; V28-A30 VanDerWaalsContact C-N 3.26Å; V28-A30 PolarHBondContact O-N 3.19Å |
| 31 | A | 61.9 | Low | 72.4 | Confident | 41 Ų | 41 | 59 Ų | 59 | 34% | 0.339 | 34% | 0.335 | S | S | . | . | trans | -156.4 | 116 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | R27 V28 T33 | R27-A31 PolarHBondContact O-N 3.47Å; V28-A31 CarbonylContact O-C 3.55Å; V28-A31 PolarHBondContact O-N 2.99Å; A31-T33 PolarHBondContact O-N 2.92Å | ||
| 32 | P | 65.7 | Low | 72.3 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | trans | -79.4 | 60.9 | 178.8 | 34.1 | -36.8 | 0 | 0 | 0 | 111.7 | V81 | P32-V81 HydrophobicContact CB-CG1 3.75Š| ||
| 33 | T | 65.7 | Low | 72.1 | Confident | 68 Ų | 68 | 56.4 Ų | 56.4 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -130.4 | 135.2 | 178.7 | 52.5 | 0 | 0 | 0 | 0 | 110.7 | A31 D35 D86 | A31-T33 PolarHBondContact O-N 2.92Å; T33-D35 PolarHBondContact O-N 3.48Å; T33-D86 WeakPolarHBondContact CA-OD2 3.32Å |
| 34 | V | 65.1 | Low | 72.1 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | trans | -85.4 | 77.6 | -170.2 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | L39 F82 D86 A89 | V34-L39 HydrophobicContact CG1-CD1 4.17Å; V34-L39 HydrophobicContact CG1-CD2 3.46Å; V34-L39 VanDerWaalsContact CG1-CD2 3.46Å; V34-L39 HydrophobicContact CG1-CG 3.91Å; V34-F82 HydrophobicContact CG2-CD1 3.6Å; V34-F82 HydrophobicContact CG2-CD2 4.28Å; V34-F82 HydrophobicContact CG2-CE1 3.54Å; V34-F82 HydrophobicContact CG2-CE2 4.23Å; V34-F82 HydrophobicContact CG2-CG 4Å; V34-F82 HydrophobicContact CG2-CZ 3.87Å; V34-D86 HydrophobicContact CB-CB 4.26Å; V34-D86 HydrophobicContact CG2-CB 3.87Å; V34-D86 WeakPolarHBondContact CG2-O 3.44Å; V34-D86 PolarHBondContact N-OD2 3.13Å; V34-A89 HydrophobicContact CG1-CB 4.46Å | ||
| 35 | D | 68.4 | Low | 72.1 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | trans | -64.3 | 150.9 | 172 | -82.9 | -29.8 | 0 | 0 | 0 | 112.6 | R27 T33 I37 V38 L39 | R27-D35 IonicContact CZ-OD2 2.63Å; R27-D35 IonicContact NE-OD2 3.23Å; R27-D35 PolarHBondContact NE-OD2 2.99Å; R27-D35 IonicContact NH2-OD2 3.12Å; R27-D35 PolarHBondContact NH2-OD2 2.64Å; T33-D35 PolarHBondContact O-N 3.48Å; D35-I37 HydrophobicContact CB-CB 4.22Å; D35-I37 PolarHBondContact O-N 3.33Å; D35-V38 HydrophobicContact CB-CG2 4.28Å; D35-V38 WeakPolarHBondContact O-CB 3.45Å; D35-V38 PolarHBondContact O-N 3.03Å; D35-L39 PolarHBondContact O-N 2.93Å | ||
| 36 | E | 68.8 | Low | 72 | Confident | 160 Ų | 160 | 56.6 Ų | 56.6 | 75% | 0.748 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -52.6 | -27.6 | 165.9 | -173.9 | 176.5 | -153.2 | 0 | 0 | 112.6 | L39 T40 | E36-L39 PolarHBondContact O-N 2.73Å; E36-T40 HydrophobicContact CG-CG2 4.26Å; E36-T40 WeakPolarHBondContact O-CB 3.45Å; E36-T40 WeakPolarHBondContact O-CG2 3.5Å; E36-T40 PolarHBondContact O-N 2.92Å; E36-T40 PolarHBondContact O-OG1 3.28Å |
| 37 | I | 71 | Confident | 72 | Confident | 82 Ų | 82 | 58 Ų | 58 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 174.6 | -67.3 | 168 | 0 | 0 | 0 | 112 | D35 T40 S41 | D35-I37 HydrophobicContact CB-CB 4.22Å; D35-I37 PolarHBondContact O-N 3.33Å; I37-T40 WeakPolarHBondContact CA-OG1 3.38Å; I37-T40 PolarHBondContact O-OG1 3.29Å; I37-S41 WeakPolarHBondContact O-CB 3.5Å; I37-S41 PolarHBondContact O-N 3.13Å; I37-S41 PolarHBondContact O-OG 3.17Å |
| 38 | V | 71.6 | Confident | 72.1 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 109 | L24 V28 D35 T40 S41 L42 | L24-V38 HydrophobicContact CD1-CB 4.32Å; L24-V38 HydrophobicContact CD1-CG1 3.74Å; V28-V38 HydrophobicContact CG2-CG1 4.46Å; D35-V38 HydrophobicContact CB-CG2 4.28Å; D35-V38 WeakPolarHBondContact O-CB 3.45Å; D35-V38 PolarHBondContact O-N 3.03Å; V38-T40 PolarHBondContact O-N 3.04Å; V38-S41 PolarHBondContact O-N 3.17Å; V38-S41 PolarHBondContact O-OG 3.06Å; V38-S41 VanDerWaalsContact O-OG 3.12Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 3.45Å |
| 39 | L | 70.9 | Confident | 72.1 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -38.2 | -178.7 | -55.4 | -171.6 | 0 | 0 | 0 | 113.2 | V34 D35 E36 N43 R93 | V34-L39 HydrophobicContact CG1-CD1 4.17Å; V34-L39 HydrophobicContact CG1-CD2 3.46Å; V34-L39 VanDerWaalsContact CG1-CD2 3.46Å; V34-L39 HydrophobicContact CG1-CG 3.91Å; D35-L39 PolarHBondContact O-N 2.93Å; E36-L39 PolarHBondContact O-N 2.73Å; L39-N43 PolarHBondContact O-N 3.16Å; L39-N43 PolarHBondContact O-ND2 3.21Å; L39-R93 HydrophobicContact CD1-CG 4.15Å; L39-R93 HydrophobicContact CD2-CB 3.82Å; L39-R93 HydrophobicContact CD2-CG 3.62Å; L39-R93 HydrophobicContact CG-CG 4.34Å |
| 40 | T | 75.6 | Confident | 72 | Confident | 79 Ų | 79 | 51.4 Ų | 51.4 | 49% | 0.485 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -75.2 | -30.9 | 176.8 | 48.8 | 0 | 0 | 0 | 0 | 112.7 | E36 I37 V38 N43 R44 | E36-T40 HydrophobicContact CG-CG2 4.26Å; E36-T40 WeakPolarHBondContact O-CB 3.45Å; E36-T40 WeakPolarHBondContact O-CG2 3.5Å; E36-T40 PolarHBondContact O-N 2.92Å; E36-T40 PolarHBondContact O-OG1 3.28Å; I37-T40 WeakPolarHBondContact CA-OG1 3.38Å; I37-T40 PolarHBondContact O-OG1 3.29Å; V38-T40 PolarHBondContact O-N 3.04Å; T40-N43 PolarHBondContact O-N 3.23Å; T40-R44 WeakPolarHBondContact O-CB 3.18Å; T40-R44 PolarHBondContact O-N 2.76Å |
| 41 | S | 76.3 | Confident | 71.7 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 11% | 0.105 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -74.8 | -34.1 | 175 | 47.7 | 0 | 0 | 0 | 0 | 113.3 | L24 I37 V38 R44 L45 | L24-S41 WeakPolarHBondContact CD1-OG 3.34Å; I37-S41 WeakPolarHBondContact O-CB 3.5Å; I37-S41 PolarHBondContact O-N 3.13Å; I37-S41 PolarHBondContact O-OG 3.17Å; V38-S41 PolarHBondContact O-N 3.17Å; V38-S41 PolarHBondContact O-OG 3.06Å; V38-S41 VanDerWaalsContact O-OG 3.12Å; S41-R44 PolarHBondContact O-N 2.9Å; S41-L45 WeakPolarHBondContact O-CG 3.46Å; S41-L45 PolarHBondContact O-N 2.86Å |
| 42 | L | 80.2 | Confident | 71.2 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.5 | -48.2 | 166.4 | -72.3 | 174.3 | 0 | 0 | 0 | 111.7 | L24 V38 R44 L45 A46 L75 Y90 | L24-L42 HydrophobicContact CD1-CD2 4.45Å; L24-L42 HydrophobicContact CD1-CG 4.3Å; L24-L42 HydrophobicContact CD2-CD2 3.97Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 3.45Å; L42-R44 VanDerWaalsContact C-N 3.29Å; L42-R44 PolarHBondContact O-N 3.19Å; L42-L45 PolarHBondContact O-N 2.84Å; L42-A46 PolarHBondContact O-N 3.24Å; L42-L75 HydrophobicContact CD2-CD2 3.6Å; L42-Y90 HydrophobicContact CD1-CE2 4.2Å |
| 43 | N | 78.5 | Confident | 70.3 | Confident | 54 Ų | 54 | 61.2 Ų | 61.2 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.3 | -35.9 | 175.1 | -80 | -77.1 | 0 | 0 | 0 | 112.2 | L39 T40 N47 | L39-N43 PolarHBondContact O-N 3.16Å; L39-N43 PolarHBondContact O-ND2 3.21Å; T40-N43 PolarHBondContact O-N 3.23Å; N43-N47 WeakPolarHBondContact O-CB 3.26Å; N43-N47 PolarHBondContact O-N 2.81Å; N43-N47 PolarHBondContact O-ND2 3.03Å |
| 44 | R | 78.8 | Confident | 68.9 | Low | 121 Ų | 121 | 61 Ų | 61 | 46% | 0.457 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 175 | -169 | -179.5 | -171.8 | 168 | 3.1 | 112 | E16 T20 T40 S41 L42 N47 L48 | E16-R44 VanDerWaalsContact CD-NH2 3.33Å; E16-R44 IonicContact OE1-CZ 2.76Å; E16-R44 IonicContact OE1-NE 2.85Å; E16-R44 PolarHBondContact OE1-NE 3.43Å; E16-R44 IonicContact OE1-NH2 3.51Å; E16-R44 PolarHBondContact OE1-NH2 3.37Å; T20-R44 HydrophobicContact CG2-CB 4.18Å; T20-R44 HydrophobicContact CG2-CG 4.28Å; T40-R44 WeakPolarHBondContact O-CB 3.18Å; T40-R44 PolarHBondContact O-N 2.76Å; S41-R44 PolarHBondContact O-N 2.9Å; L42-R44 VanDerWaalsContact C-N 3.29Å; L42-R44 PolarHBondContact O-N 3.19Å; R44-N47 PolarHBondContact O-N 3.35Å; R44-L48 HydrophobicContact CG-CD1 4.02Å; R44-L48 HydrophobicContact CG-CG 4.48Å; R44-L48 WeakPolarHBondContact O-CB 3.48Å; R44-L48 VanDerWaalsContact O-CG 3.28Å; R44-L48 WeakPolarHBondContact O-CG 3.4Å; R44-L48 PolarHBondContact O-N 2.89Å |
| 45 | L | 81.1 | Confident | 67.8 | Low | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 176.5 | -71.1 | 163.8 | 0 | 0 | 0 | 112 | F17 T20 W21 L24 S41 L42 L48 M49 F97 | F17-L45 HydrophobicContact CD2-CD2 3.6Å; F17-L45 HydrophobicContact CE2-CD2 3.58Å; F17-L45 HydrophobicContact CG-CD2 4.3Å; F17-L45 HydrophobicContact CZ-CD2 4.25Å; T20-L45 HydrophobicContact CG2-CD1 4.38Å; T20-L45 HydrophobicContact CG2-CD2 3.92Å; T20-L45 HydrophobicContact CG2-CG 3.76Å; W21-L45 HydrophobicContact CB-CD2 4.19Å; W21-L45 HydrophobicContact CE3-CD1 3.83Å; W21-L45 HydrophobicContact CZ3-CD1 4.43Å; L24-L45 HydrophobicContact CD2-CD1 3.65Å; S41-L45 WeakPolarHBondContact O-CG 3.46Å; S41-L45 PolarHBondContact O-N 2.86Å; L42-L45 PolarHBondContact O-N 2.84Å; L45-L48 PolarHBondContact O-N 2.8Å; L45-M49 PolarHBondContact O-N 2.98Å; L45-F97 HydrophobicContact CB-CE2 4.33Å |
| 46 | A | 77.8 | Confident | 66.6 | Low | 2 Ų | 2 | 66.8 Ų | 66.8 | 2% | 0.017 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.9 | -53.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L42 L48 M49 M50 F97 | L42-A46 PolarHBondContact O-N 3.24Å; A46-L48 VanDerWaalsContact C-N 3.3Å; A46-L48 PolarHBondContact O-N 3.34Å; A46-M49 PolarHBondContact O-N 3.47Å; A46-M50 WeakPolarHBondContact O-CB 3.34Å; A46-M50 WeakPolarHBondContact O-CG 3.45Å; A46-M50 PolarHBondContact O-N 3.3Å; A46-F97 HydrophobicContact CB-CD2 3.88Å; A46-F97 HydrophobicContact CB-CE2 4.29Å |
| 47 | N | 76.5 | Confident | 65.6 | Low | 100 Ų | 100 | 63.3 Ų | 63.3 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.5 | -39.3 | 178 | -78.1 | -62.6 | 0 | 0 | 0 | 113 | N43 R44 M50 C51 | N43-N47 WeakPolarHBondContact O-CB 3.26Å; N43-N47 PolarHBondContact O-N 2.81Å; N43-N47 PolarHBondContact O-ND2 3.03Å; R44-N47 PolarHBondContact O-N 3.35Å; N47-M50 PolarHBondContact O-N 2.97Å; N47-C51 PolarHBondContact O-N 3.39Å; N47-C51 PolarHBondContact O-SG 3.42Å |
| 48 | L | 74.3 | Confident | 64.3 | Low | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.068 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.8 | -37.2 | 177.9 | -73.7 | 166.2 | 0 | 0 | 0 | 113.2 | I13 E16 F17 R44 L45 A46 M50 | I13-L48 HydrophobicContact CG2-CD2 4.24Å; E16-L48 HydrophobicContact CB-CD1 4.41Å; E16-L48 HydrophobicContact CB-CD2 4.29Å; E16-L48 HydrophobicContact CG-CD1 4Å; E16-L48 HydrophobicContact CG-CD2 4.18Å; F17-L48 HydrophobicContact CB-CD1 4.45Å; F17-L48 HydrophobicContact CD2-CB 4.34Å; R44-L48 HydrophobicContact CG-CD1 4.02Å; R44-L48 HydrophobicContact CG-CG 4.48Å; R44-L48 WeakPolarHBondContact O-CB 3.48Å; R44-L48 VanDerWaalsContact O-CG 3.28Å; R44-L48 WeakPolarHBondContact O-CG 3.4Å; R44-L48 PolarHBondContact O-N 2.89Å; L45-L48 PolarHBondContact O-N 2.8Å; A46-L48 VanDerWaalsContact C-N 3.3Å; A46-L48 PolarHBondContact O-N 3.34Å; L48-M50 VanDerWaalsContact C-N 3.31Å |
| 49 | M | 72.9 | Confident | 63.4 | Low | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.025 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.2 | -28.3 | 171.3 | -73.1 | -171.1 | -80.5 | 0 | 0 | 112.6 | F17 L45 A46 V62 F63 A66 F72 F97 L101 | F17-M49 HydrophobicContact CD2-CG 4.42Å; F17-M49 HydrophobicContact CE2-CE 4.4Å; F17-M49 HydrophobicContact CE2-CG 3.89Å; F17-M49 HydrophobicContact CE2-SD 4.23Å; L45-M49 PolarHBondContact O-N 2.98Å; A46-M49 PolarHBondContact O-N 3.47Å; M49-V62 HydrophobicContact CG-CG1 3.9Å; M49-F63 HydrophobicContact SD-CD2 4.43Å; M49-A66 HydrophobicContact SD-CB 3.85Å; M49-F72 HydrophobicContact CE-CZ 4.37Å; M49-F72 HydrophobicContact SD-CZ 4.2Å; M49-F97 HydrophobicContact CE-CE2 3.79Å; M49-F97 HydrophobicContact CE-CZ 3.65Å; M49-L101 HydrophobicContact CB-CD2 3.87Å; M49-L101 HydrophobicContact CE-CD1 3.96Å; M49-L101 HydrophobicContact CE-CD2 3.97Å; M49-L101 HydrophobicContact SD-CD2 4.4Å |
| 50 | M | 67.6 | Low | 63 | Low | 61 Ų | 61 | 70.4 Ų | 70.4 | 30% | 0.3 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -83 | -18 | -178.5 | -66.1 | -91.4 | -76 | 0 | 0 | 114.1 | A46 N47 L48 R52 S100 L101 S104 | A46-M50 WeakPolarHBondContact O-CB 3.34Å; A46-M50 WeakPolarHBondContact O-CG 3.45Å; A46-M50 PolarHBondContact O-N 3.3Å; N47-M50 PolarHBondContact O-N 2.97Å; L48-M50 VanDerWaalsContact C-N 3.31Å; M50-R52 PolarHBondContact O-N 2.93Å; M50-S100 WeakPolarHBondContact CE-O 3.34Å; M50-L101 HydrophobicContact CG-CD2 4.23Å; M50-S104 PolarHBondContact SD-OG 2.95Å |
| 51 | C | 56.7 | Low | 62.7 | Low | 78 Ų | 78 | 70.7 Ų | 70.7 | 53% | 0.527 | 39% | 0.385 | S | S | . | . | trans | -72 | 64.2 | -176.2 | -87.2 | 0 | 0 | 0 | 0 | 114.1 | N47 K53 | N47-C51 PolarHBondContact O-N 3.39Å; N47-C51 PolarHBondContact O-SG 3.42Å; C51-K53 PolarHBondContact O-N 3.29Å | ||
| 52 | R | 52.4 | Low | 62.5 | Low | 122 Ų | 122 | 70.7 Ų | 70.7 | 46% | 0.46 | 39% | 0.385 | S | S | . | . | trans | -61.4 | 125.3 | 170.2 | -73.6 | -174.1 | 170.6 | 178.6 | 2.9 | 111.5 | M50 N105 | M50-R52 PolarHBondContact O-N 2.93Å; R52-N105 PolarHBondContact NH1-OD1 3.25Å; R52-N105 VanDerWaalsContact NH2-CG 3.32Å; R52-N105 PolarHBondContact NH2-OD1 2.9Å | ||
| 53 | K | 45.9 | Very low | 62.4 | Low | 208 Ų | 208 | 70.7 Ų | 70.7 | 90% | 0.904 | 39% | 0.385 | S | S | * | . | trans | -148.6 | 2.4 | 170.5 | -123.7 | -176.7 | -176.8 | -175 | 0 | 116.8 | C51 | C51-K53 PolarHBondContact O-N 3.29Š| ||
| 54 | S | 37.4 | Very low | 62 | Low | 63 Ų | 63 | 70.9 Ų | 70.9 | 44% | 0.441 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -103.3 | 154.1 | 167.4 | 49.3 | 0 | 0 | 0 | 0 | 110.4 | D56 | S54-D56 PolarHBondContact O-N 2.89Š|
| 55 | G | 40.8 | Very low | 61.7 | Low | 86 Ų | 86 | 67.4 Ų | 67.4 | 89% | 0.887 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -80.7 | -0.1 | -162.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 56 | D | 43.8 | Very low | 61.5 | Low | 121 Ų | 121 | 67.3 Ų | 67.3 | 65% | 0.647 | 38% | 0.375 | S | S | * | . | trans | -107.2 | 122.8 | -175.5 | -110.8 | -47.7 | 0 | 0 | 0 | 111.4 | S54 S58 | S54-D56 PolarHBondContact O-N 2.89Å; D56-S58 PolarHBondContact O-N 2.98Å | ||
| 57 | P | 48.2 | Very low | 61.5 | Low | 86 Ų | 86 | 68.8 Ų | 68.8 | 56% | 0.558 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -7.9 | -178 | 31.1 | -35.9 | 0 | 0 | 0 | 113.8 | L108 | P57-L108 WeakPolarHBondContact O-CD1 3.29Š|
| 58 | S | 44.1 | Very low | 61.5 | Low | 78 Ų | 78 | 68.3 Ų | 68.3 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -11.1 | -162.1 | 58.9 | 0 | 0 | 0 | 0 | 116 | D56 | D56-S58 PolarHBondContact O-N 2.98Š|
| 59 | K | 51.8 | Low | 61.7 | Low | 153 Ų | 153 | 70 Ų | 70 | 67% | 0.665 | 39% | 0.389 | S | S | * | . | trans | -146.4 | 89.1 | -176.9 | -66.2 | -174.8 | -178 | 174.3 | 0 | 112.7 | I61 | K59-I61 PolarHBondContact O-N 3.24Š| ||
| 60 | S | 62.3 | Low | 62.1 | Low | 29 Ų | 29 | 72 Ų | 72 | 20% | 0.203 | 40% | 0.403 | C | S | . | . | trans | -80.4 | 96.1 | 166.5 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | V62 F63 D64 | S60-V62 PolarHBondContact O-N 3.45Å; S60-F63 WeakPolarHBondContact O-CA 3.36Å; S60-F63 WeakPolarHBondContact O-CB 3.21Å; S60-F63 PolarHBondContact O-N 2.79Å; S60-D64 PolarHBondContact O-N 3.31Å | ||
| 61 | I | 69.2 | Low | 62.7 | Low | 84 Ų | 84 | 69.2 Ų | 69.2 | 43% | 0.431 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -55.3 | -29.4 | -177.9 | -51.9 | 171 | 0 | 0 | 0 | 111.7 | I14 K59 M65 | I14-I61 HydrophobicContact CD1-CB 4.45Å; I14-I61 HydrophobicContact CD1-CG2 3.65Å; I14-I61 HydrophobicContact CG1-CG2 4.37Å; K59-I61 PolarHBondContact O-N 3.24Å; I61-M65 VanDerWaalsContact O-CB 3.24Å; I61-M65 WeakPolarHBondContact O-CB 3.08Å; I61-M65 PolarHBondContact O-N 3.49Å |
| 62 | V | 73.4 | Confident | 64.1 | Low | 16 Ų | 16 | 65.6 Ų | 65.6 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -72.2 | -37.4 | 176.2 | -168.5 | 0 | 0 | 0 | 0 | 111.6 | I13 F17 M49 S60 M65 A66 | I13-V62 HydrophobicContact CG2-CG2 3.71Å; F17-V62 HydrophobicContact CB-CG1 4.02Å; F17-V62 HydrophobicContact CD1-CG1 4.32Å; F17-V62 HydrophobicContact CD2-CG1 3.49Å; F17-V62 VanDerWaalsContact CD2-CG1 3.49Å; F17-V62 HydrophobicContact CE2-CG1 4.01Å; F17-V62 HydrophobicContact CG-CG1 3.67Å; M49-V62 HydrophobicContact CG-CG1 3.9Å; S60-V62 PolarHBondContact O-N 3.45Å; V62-M65 PolarHBondContact O-N 3.14Å; V62-A66 WeakPolarHBondContact O-CB 3.28Å; V62-A66 PolarHBondContact O-N 3.23Å |
| 63 | F | 76.2 | Confident | 65.3 | Low | 3 Ų | 3 | 61 Ų | 61 | 1% | 0.013 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -73.3 | -42.3 | 174.5 | 179.2 | -117.1 | 0 | 0 | 0 | 111.7 | M49 S60 M65 A66 L67 F72 Y109 H112 F115 | M49-F63 HydrophobicContact SD-CD2 4.43Å; S60-F63 WeakPolarHBondContact O-CA 3.36Å; S60-F63 WeakPolarHBondContact O-CB 3.21Å; S60-F63 PolarHBondContact O-N 2.79Å; F63-M65 PolarHBondContact O-N 3.29Å; F63-A66 WeakPolarHBondContact O-CA 3.42Å; F63-A66 WeakPolarHBondContact O-CB 3.48Å; F63-A66 PolarHBondContact O-N 2.98Å; F63-L67 HydrophobicContact CD1-CD1 4.15Å; F63-L67 HydrophobicContact CD2-CG 4.48Å; F63-L67 HydrophobicContact CE1-CD1 3.67Å; F63-L67 HydrophobicContact CE1-CG 4.19Å; F63-L67 HydrophobicContact CE2-CD1 4.46Å; F63-L67 HydrophobicContact CE2-CD2 4.06Å; F63-L67 HydrophobicContact CE2-CG 4.11Å; F63-L67 HydrophobicContact CZ-CD1 3.84Å; F63-L67 HydrophobicContact CZ-CD2 3.92Å; F63-L67 HydrophobicContact CZ-CG 3.96Å; F63-L67 WeakPolarHBondContact O-CG 3.4Å; F63-L67 PolarHBondContact O-N 2.75Å; F63-F72 HydrophobicContact CD2-CE2 4.19Å; F63-F72 HydrophobicContact CD2-CZ 4.19Å; F63-F72 AromaticContact CE2-CE2 3.68Å; F63-F72 HydrophobicContact CE2-CE2 3.68Å; F63-F72 AromaticContact CE2-CZ 3.86Å; F63-F72 HydrophobicContact CE2-CZ 3.86Å; F63-Y109 HydrophobicContact CB-CE1 4.36Å; F63-Y109 HydrophobicContact CD1-CD1 4.22Å; F63-Y109 HydrophobicContact CD1-CE1 4.38Å; F63-Y109 AromaticContact CD2-CD1 3.72Å; F63-Y109 HydrophobicContact CD2-CD1 3.72Å; F63-Y109 AromaticContact CD2-CE1 3.72Å; F63-Y109 HydrophobicContact CD2-CE1 3.72Å; F63-Y109 HydrophobicContact CE1-CD1 4.05Å; F63-Y109 AromaticContact CE2-CD1 3.56Å; F63-Y109 HydrophobicContact CE2-CD1 3.56Å; F63-Y109 HydrophobicContact CE2-CE1 4.06Å; F63-Y109 HydrophobicContact CG-CD1 4.06Å; F63-Y109 AromaticContact CG-CE1 3.9Å; F63-Y109 HydrophobicContact CG-CE1 3.9Å; F63-Y109 AromaticContact CZ-CD1 3.73Å; F63-Y109 HydrophobicContact CZ-CD1 3.73Å; F63-H112 HydrophobicContact CE1-CB 4.23Å; F63-H112 AromaticContact CE1-CD2 3.79Å; F63-H112 AromaticContact CE1-CG 3.83Å; F63-H112 HydrophobicContact CZ-CB 4.22Å; F63-F115 HydrophobicContact CE2-CB 4.45Å; F63-F115 HydrophobicContact CE2-CD2 4.29Å; F63-F115 HydrophobicContact CZ-CB 4.12Å |
| 64 | D | 71.2 | Confident | 66.9 | Low | 57 Ų | 57 | 52.4 Ų | 52.4 | 31% | 0.305 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.3 | -40.9 | 170.8 | -67.2 | -32.4 | 0 | 0 | 0 | 110.7 | S60 N68 | S60-D64 PolarHBondContact O-N 3.31Å; D64-N68 WeakPolarHBondContact O-CB 3.04Å; D64-N68 PolarHBondContact O-N 2.87Å; D64-N68 PolarHBondContact O-ND2 3.01Å |
| 65 | M | 71.4 | Confident | 69.1 | Low | 49 Ų | 49 | 49.5 Ų | 49.5 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.3 | -38 | 174.1 | -173.6 | 107.1 | -72.4 | 0 | 0 | 112.7 | I14 F17 K18 I61 V62 F63 N68 L69 | I14-M65 HydrophobicContact CG2-SD 3.95Å; F17-M65 HydrophobicContact CD1-CG 4.35Å; F17-M65 HydrophobicContact CE1-CG 4.39Å; K18-M65 HydrophobicContact CD-SD 4.49Å; K18-M65 WeakPolarHBondContact CE-SD 3.15Å; I61-M65 VanDerWaalsContact O-CB 3.24Å; I61-M65 WeakPolarHBondContact O-CB 3.08Å; I61-M65 PolarHBondContact O-N 3.49Å; V62-M65 PolarHBondContact O-N 3.14Å; F63-M65 PolarHBondContact O-N 3.29Å; M65-N68 PolarHBondContact O-N 3.19Å; M65-L69 HydrophobicContact CG-CD1 3.86Å; M65-L69 WeakPolarHBondContact O-CB 3.33Å; M65-L69 WeakPolarHBondContact O-CD1 3.2Å; M65-L69 VanDerWaalsContact O-CG 3.26Å; M65-L69 WeakPolarHBondContact O-CG 3.27Å; M65-L69 PolarHBondContact O-N 3.22Å |
| 66 | A | 78.7 | Confident | 71.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F17 M49 V62 F63 L69 C70 V71 F72 | F17-A66 HydrophobicContact CE1-CB 4.31Å; F17-A66 HydrophobicContact CE2-CB 4.49Å; F17-A66 HydrophobicContact CZ-CB 3.68Å; M49-A66 HydrophobicContact SD-CB 3.85Å; V62-A66 WeakPolarHBondContact O-CB 3.28Å; V62-A66 PolarHBondContact O-N 3.23Å; F63-A66 WeakPolarHBondContact O-CA 3.42Å; F63-A66 WeakPolarHBondContact O-CB 3.48Å; F63-A66 PolarHBondContact O-N 2.98Å; A66-L69 PolarHBondContact O-N 3.35Å; A66-C70 PolarHBondContact O-N 3.19Å; A66-V71 HydrophobicContact CB-CB 4.34Å; A66-V71 HydrophobicContact CB-CG2 4.14Å; A66-V71 WeakPolarHBondContact O-CG2 3.48Å; A66-V71 PolarHBondContact O-N 2.82Å; A66-V71 VanDerWaalsContact O-N 3.16Å; A66-F72 HydrophobicContact CB-CE2 4.22Å; A66-F72 HydrophobicContact CB-CZ 4.43Å |
| 67 | L | 77.3 | Confident | 72.8 | Confident | 32 Ų | 32 | 44.6 Ų | 44.6 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -47.8 | 172.8 | -66.6 | 179.2 | 0 | 0 | 0 | 111.4 | F63 L69 C70 F72 H112 A114 F115 | F63-L67 HydrophobicContact CD1-CD1 4.15Å; F63-L67 HydrophobicContact CD2-CG 4.48Å; F63-L67 HydrophobicContact CE1-CD1 3.67Å; F63-L67 HydrophobicContact CE1-CG 4.19Å; F63-L67 HydrophobicContact CE2-CD1 4.46Å; F63-L67 HydrophobicContact CE2-CD2 4.06Å; F63-L67 HydrophobicContact CE2-CG 4.11Å; F63-L67 HydrophobicContact CZ-CD1 3.84Å; F63-L67 HydrophobicContact CZ-CD2 3.92Å; F63-L67 HydrophobicContact CZ-CG 3.96Å; F63-L67 WeakPolarHBondContact O-CG 3.4Å; F63-L67 PolarHBondContact O-N 2.75Å; L67-L69 PolarHBondContact O-N 2.88Å; L67-L69 VanDerWaalsContact O-N 3.13Å; L67-C70 PolarHBondContact O-N 2.85Å; L67-C70 VanDerWaalsContact O-N 3.09Å; L67-F72 HydrophobicContact CD2-CD2 4.05Å; L67-F72 HydrophobicContact CD2-CE2 3.98Å; L67-H112 HydrophobicContact CD1-CB 4.3Å; L67-A114 HydrophobicContact CD2-CB 4.13Å; L67-F115 HydrophobicContact CD2-CB 4.41Å |
| 68 | N | 76.2 | Confident | 74.3 | Confident | 90 Ų | 90 | 41 Ų | 41 | 48% | 0.481 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9.7 | 176.8 | -80.7 | -84 | 0 | 0 | 0 | 114.2 | D64 M65 C233 | D64-N68 WeakPolarHBondContact O-CB 3.04Å; D64-N68 PolarHBondContact O-N 2.87Å; D64-N68 PolarHBondContact O-ND2 3.01Å; M65-N68 PolarHBondContact O-N 3.19Å; N68-C233 PolarHBondContact OD1-SG 3.07Å |
| 69 | L | 78.8 | Confident | 75.9 | Confident | 50 Ų | 50 | 37.5 Ų | 37.5 | 26% | 0.262 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 9.4 | 175.3 | -73 | 170.5 | 0 | 0 | 0 | 112.8 | F17 F22 M65 A66 L67 V71 | F17-L69 HydrophobicContact CE1-CD1 4.19Å; F22-L69 HydrophobicContact CZ-CD2 4.4Å; M65-L69 HydrophobicContact CG-CD1 3.86Å; M65-L69 WeakPolarHBondContact O-CB 3.33Å; M65-L69 WeakPolarHBondContact O-CD1 3.2Å; M65-L69 VanDerWaalsContact O-CG 3.26Å; M65-L69 WeakPolarHBondContact O-CG 3.27Å; M65-L69 PolarHBondContact O-N 3.22Å; A66-L69 PolarHBondContact O-N 3.35Å; L67-L69 PolarHBondContact O-N 2.88Å; L67-L69 VanDerWaalsContact O-N 3.13Å; L69-V71 HydrophobicContact CB-CG2 3.99Å; L69-V71 PolarHBondContact O-N 2.63Å; L69-V71 VanDerWaalsContact O-N 3.1Å |
| 70 | C | 80.8 | Confident | 77.3 | Confident | 47 Ų | 47 | 35.1 Ų | 35.1 | 32% | 0.318 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 28.1 | 179.7 | -66.1 | 0 | 0 | 0 | 0 | 114.1 | A66 L67 F72 E73 T74 | A66-C70 PolarHBondContact O-N 3.19Å; L67-C70 PolarHBondContact O-N 2.85Å; L67-C70 VanDerWaalsContact O-N 3.09Å; C70-F72 VanDerWaalsContact C-N 3.34Å; C70-F72 PolarHBondContact O-N 2.77Å; C70-E73 HydrophobicContact CB-CB 4.42Å; C70-E73 WeakPolarHBondContact CB-OE2 3.14Å; C70-E73 PolarHBondContact O-N 3.43Å; C70-E73 VanDerWaalsContact O-N 3.08Å; C70-E73 PolarHBondContact SG-OE2 3.31Å; C70-T74 PolarHBondContact O-N 2.86Å; C70-T74 PolarHBondContact O-OG1 2.79Å |
| 71 | V | 81.5 | Confident | 78.1 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53 | -49.3 | -170.8 | 169.1 | 0 | 0 | 0 | 0 | 111.6 | F17 W21 A66 L69 E73 T74 L75 | F17-V71 HydrophobicContact CZ-CG2 4.33Å; W21-V71 HydrophobicContact CD2-CG2 3.97Å; W21-V71 HydrophobicContact CE3-CG1 4.16Å; W21-V71 HydrophobicContact CE3-CG2 4.21Å; W21-V71 HydrophobicContact CH2-CB 4.35Å; W21-V71 HydrophobicContact CH2-CG1 4.01Å; W21-V71 HydrophobicContact CH2-CG2 4.32Å; W21-V71 HydrophobicContact CZ2-CB 4.44Å; W21-V71 HydrophobicContact CZ2-CG2 4.05Å; W21-V71 HydrophobicContact CZ3-CB 4.49Å; W21-V71 HydrophobicContact CZ3-CG1 3.77Å; W21-V71 HydrophobicContact CZ3-CG2 4.37Å; A66-V71 HydrophobicContact CB-CB 4.34Å; A66-V71 HydrophobicContact CB-CG2 4.14Å; A66-V71 WeakPolarHBondContact O-CG2 3.48Å; A66-V71 PolarHBondContact O-N 2.82Å; A66-V71 VanDerWaalsContact O-N 3.16Å; L69-V71 HydrophobicContact CB-CG2 3.99Å; L69-V71 PolarHBondContact O-N 2.63Å; L69-V71 VanDerWaalsContact O-N 3.1Å; V71-E73 PolarHBondContact O-N 2.68Å; V71-T74 PolarHBondContact O-N 3.44Å; V71-T74 PolarHBondContact O-OG1 2.88Å; V71-L75 HydrophobicContact CG1-CD1 3.85Å; V71-L75 HydrophobicContact CG1-CG 4.35Å; V71-L75 VanDerWaalsContact O-CG 3.29Å; V71-L75 WeakPolarHBondContact O-CG 3.48Å; V71-L75 PolarHBondContact O-N 3.16Å |
| 72 | F | 84 | Confident | 78.4 | Confident | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.7 | -32.9 | -177.3 | -51.9 | -71 | 0 | 0 | 0 | 113.3 | M49 F63 A66 L67 C70 F76 F97 Y98 L101 F115 P118 | M49-F72 HydrophobicContact CE-CZ 4.37Å; M49-F72 HydrophobicContact SD-CZ 4.2Å; F63-F72 HydrophobicContact CD2-CE2 4.19Å; F63-F72 HydrophobicContact CD2-CZ 4.19Å; F63-F72 AromaticContact CE2-CE2 3.68Å; F63-F72 HydrophobicContact CE2-CE2 3.68Å; F63-F72 AromaticContact CE2-CZ 3.86Å; F63-F72 HydrophobicContact CE2-CZ 3.86Å; A66-F72 HydrophobicContact CB-CE2 4.22Å; A66-F72 HydrophobicContact CB-CZ 4.43Å; L67-F72 HydrophobicContact CD2-CD2 4.05Å; L67-F72 HydrophobicContact CD2-CE2 3.98Å; C70-F72 VanDerWaalsContact C-N 3.34Å; C70-F72 PolarHBondContact O-N 2.77Å; F72-F76 PolarHBondContact O-N 3.44Å; F72-F97 HydrophobicContact CD1-CE1 4.12Å; F72-F97 AromaticContact CE1-CE1 3.83Å; F72-F97 HydrophobicContact CE1-CE1 3.83Å; F72-F97 AromaticContact CE1-CZ 3.97Å; F72-F97 HydrophobicContact CE1-CZ 3.97Å; F72-Y98 AromaticContact CD1-CE1 3.79Å; F72-Y98 HydrophobicContact CD1-CE1 3.79Å; F72-Y98 HydrophobicContact CE1-CE1 4.32Å; F72-L101 HydrophobicContact CE1-CD1 4.09Å; F72-F115 AromaticContact CD1-CD2 3.82Å; F72-F115 HydrophobicContact CD1-CD2 3.82Å; F72-F115 AromaticContact CD1-CE2 3.99Å; F72-F115 HydrophobicContact CD1-CE2 3.99Å; F72-F115 AromaticContact CD2-CD2 3.97Å; F72-F115 HydrophobicContact CD2-CD2 3.97Å; F72-F115 AromaticContact CE1-CD2 3.71Å; F72-F115 HydrophobicContact CE1-CD2 3.71Å; F72-F115 AromaticContact CE1-CE2 3.72Å; F72-F115 HydrophobicContact CE1-CE2 3.72Å; F72-F115 AromaticContact CE2-CD2 3.87Å; F72-F115 HydrophobicContact CE2-CD2 3.87Å; F72-F115 AromaticContact CG-CD2 3.95Å; F72-F115 HydrophobicContact CG-CD2 3.95Å; F72-F115 AromaticContact CZ-CD2 3.73Å; F72-F115 HydrophobicContact CZ-CD2 3.73Å; F72-F115 HydrophobicContact CZ-CE2 4.09Å; F72-P118 HydrophobicContact CB-CB 3.97Å; F72-P118 HydrophobicContact CB-CG 4.17Å |
| 73 | E | 78.7 | Confident | 78.5 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.9 | -44.2 | 173.5 | -59.7 | -177.5 | 118 | 0 | 0 | 110.8 | C70 V71 F76 Q77 P118 S244 | C70-E73 HydrophobicContact CB-CB 4.42Å; C70-E73 WeakPolarHBondContact CB-OE2 3.14Å; C70-E73 PolarHBondContact O-N 3.43Å; C70-E73 VanDerWaalsContact O-N 3.08Å; C70-E73 PolarHBondContact SG-OE2 3.31Å; V71-E73 PolarHBondContact O-N 2.68Å; E73-F76 PolarHBondContact O-N 3.41Å; E73-Q77 VanDerWaalsContact O-CG 3.29Å; E73-Q77 WeakPolarHBondContact O-CG 3.02Å; E73-Q77 PolarHBondContact O-N 3.39Å; E73-P118 HydrophobicContact CG-CG 3.88Å; E73-S244 VanDerWaalsContact CD-OG 3.32Å; E73-S244 WeakPolarHBondContact OE1-CB 3.3Å; E73-S244 PolarHBondContact OE1-OG 3.46Å |
| 74 | T | 80.1 | Confident | 78.5 | Confident | 29 Ų | 29 | 40.1 Ų | 40.1 | 18% | 0.178 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69 | -34.4 | 177.7 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | W21 C70 V71 Q77 W78 | W21-T74 WeakPolarHBondContact CH2-OG1 3.42Å; W21-T74 WeakPolarHBondContact CZ2-OG1 3.21Å; C70-T74 PolarHBondContact O-N 2.86Å; C70-T74 PolarHBondContact O-OG1 2.79Å; V71-T74 PolarHBondContact O-N 3.44Å; V71-T74 PolarHBondContact O-OG1 2.88Å; T74-Q77 PolarHBondContact O-N 3.15Å; T74-W78 PolarHBondContact O-N 3.19Å |
| 75 | L | 83 | Confident | 78.9 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | 172.5 | -71.5 | 173.1 | 0 | 0 | 0 | 111.5 | W21 L42 V71 W78 Y90 F97 | W21-L75 HydrophobicContact CH2-CG 4.46Å; W21-L75 HydrophobicContact CZ3-CD2 4.28Å; W21-L75 HydrophobicContact CZ3-CG 4.44Å; L42-L75 HydrophobicContact CD2-CD2 3.6Å; V71-L75 HydrophobicContact CG1-CD1 3.85Å; V71-L75 HydrophobicContact CG1-CG 4.35Å; V71-L75 VanDerWaalsContact O-CG 3.29Å; V71-L75 WeakPolarHBondContact O-CG 3.48Å; V71-L75 PolarHBondContact O-N 3.16Å; L75-W78 HydrophobicContact CD2-CE3 3.85Å; L75-W78 HydrophobicContact CD2-CH2 4.43Å; L75-W78 HydrophobicContact CD2-CZ3 3.65Å; L75-W78 PolarHBondContact O-N 3.04Å; L75-Y90 WeakPolarHBondContact CA-OH 3.29Å; L75-Y90 WeakPolarHBondContact CD2-OH 3.42Å; L75-Y90 PolarHBondContact O-OH 3.12Å; L75-F97 HydrophobicContact CD1-CD1 4.2Å; L75-F97 HydrophobicContact CD1-CE1 3.46Å; L75-F97 VanDerWaalsContact CD1-CE1 3.46Å; L75-F97 HydrophobicContact CD1-CZ 3.66Å |
| 76 | F | 82.1 | Confident | 79.2 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 173.2 | 173.2 | -122 | 0 | 0 | 0 | 111.5 | F72 E73 W78 N79 F80 A121 T122 H125 | F72-F76 PolarHBondContact O-N 3.44Å; E73-F76 PolarHBondContact O-N 3.41Å; F76-W78 PolarHBondContact O-N 3.12Å; F76-N79 WeakPolarHBondContact O-CB 2.98Å; F76-N79 PolarHBondContact O-N 2.74Å; F76-N79 PolarHBondContact O-ND2 2.93Å; F76-N79 VanDerWaalsContact O-ND2 3.14Å; F76-F80 HydrophobicContact CE1-CE2 4Å; F76-F80 HydrophobicContact CE2-CE2 4Å; F76-F80 HydrophobicContact CE2-CZ 4.34Å; F76-F80 AromaticContact CZ-CE2 3.71Å; F76-F80 HydrophobicContact CZ-CE2 3.71Å; F76-F80 AromaticContact CZ-CZ 3.94Å; F76-F80 HydrophobicContact CZ-CZ 3.94Å; F76-A121 HydrophobicContact CD1-CB 4.4Å; F76-A121 HydrophobicContact CD2-CB 4.18Å; F76-A121 HydrophobicContact CE1-CB 4Å; F76-A121 HydrophobicContact CE2-CB 3.76Å; F76-A121 HydrophobicContact CG-CB 4.48Å; F76-A121 HydrophobicContact CZ-CB 3.66Å; F76-T122 HydrophobicContact CB-CG2 3.8Å; F76-T122 HydrophobicContact CD2-CG2 3.58Å; F76-T122 HydrophobicContact CG-CG2 4.1Å; F76-H125 HydrophobicContact CE2-CB 4.27Å |
| 77 | Q | 80 | Confident | 79.3 | Confident | 76 Ų | 76 | 43.1 Ų | 43.1 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.2 | -31.5 | 177.8 | -75 | 170.1 | 9 | 0 | 0 | 113.2 | E73 T74 N79 F80 | E73-Q77 VanDerWaalsContact O-CG 3.29Å; E73-Q77 WeakPolarHBondContact O-CG 3.02Å; E73-Q77 PolarHBondContact O-N 3.39Å; T74-Q77 PolarHBondContact O-N 3.15Å; Q77-N79 PolarHBondContact O-N 2.89Å; Q77-F80 PolarHBondContact O-N 3Å |
| 78 | W | 80.6 | Confident | 79.5 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -67.7 | -16.8 | 178.2 | -66 | -11.3 | 0 | 0 | 0 | 114.7 | W21 L24 L25 V28 T74 L75 F76 F80 V81 F82 Y90 | W21-W78 HydrophobicContact CH2-CH2 4.1Å; W21-W78 HydrophobicContact CH2-CZ2 4.41Å; W21-W78 HydrophobicContact CZ3-CH2 4.23Å; L24-W78 HydrophobicContact CD1-CZ3 4.32Å; L24-W78 HydrophobicContact CD2-CH2 3.6Å; L24-W78 HydrophobicContact CD2-CZ3 3.71Å; L24-W78 HydrophobicContact CG-CH2 3.66Å; L24-W78 HydrophobicContact CG-CZ3 3.88Å; L25-W78 HydrophobicContact CD1-CZ2 3.91Å; V28-W78 HydrophobicContact CB-CH2 4.46Å; V28-W78 HydrophobicContact CB-CZ2 4.1Å; V28-W78 HydrophobicContact CG1-CD2 4.03Å; V28-W78 HydrophobicContact CG1-CG 4.23Å; V28-W78 HydrophobicContact CG1-CZ2 4.36Å; V28-W78 HydrophobicContact CG2-CD2 4.33Å; V28-W78 HydrophobicContact CG2-CE3 4.16Å; V28-W78 HydrophobicContact CG2-CH2 3.94Å; V28-W78 HydrophobicContact CG2-CZ2 4.08Å; V28-W78 HydrophobicContact CG2-CZ3 3.95Å; T74-W78 PolarHBondContact O-N 3.19Å; L75-W78 HydrophobicContact CD2-CE3 3.85Å; L75-W78 HydrophobicContact CD2-CH2 4.43Å; L75-W78 HydrophobicContact CD2-CZ3 3.65Å; L75-W78 PolarHBondContact O-N 3.04Å; F76-W78 PolarHBondContact O-N 3.12Å; W78-F80 PolarHBondContact O-N 3.12Å; W78-V81 PolarHBondContact O-N 3.47Å; W78-F82 HydrophobicContact CB-CD2 4.22Å; W78-F82 HydrophobicContact CB-CE2 3.92Å; W78-F82 VanDerWaalsContact O-CD2 3.31Å; W78-F82 WeakPolarHBondContact O-CD2 2.97Å; W78-F82 PolarHBondContact O-N 2.71Å; W78-F82 VanDerWaalsContact O-N 3.12Å; W78-Y90 HydrophobicContact CB-CE1 4.1Å; W78-Y90 HydrophobicContact CB-CE2 4.47Å; W78-Y90 AromaticContact CE3-CE2 3.94Å; W78-Y90 HydrophobicContact CE3-CE2 3.94Å |
| 79 | N | 77.2 | Confident | 79.8 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -62.5 | -21 | 167.9 | -72.1 | -80.4 | 0 | 0 | 0 | 113 | F76 Q77 L87 E94 | F76-N79 WeakPolarHBondContact O-CB 2.98Å; F76-N79 PolarHBondContact O-N 2.74Å; F76-N79 PolarHBondContact O-ND2 2.93Å; F76-N79 VanDerWaalsContact O-ND2 3.14Å; Q77-N79 PolarHBondContact O-N 2.89Å; N79-L87 HydrophobicContact CB-CD1 4.29Å; N79-L87 WeakPolarHBondContact O-CD1 3.35Å; N79-E94 PolarHBondContact ND2-OE2 3.34Å |
| 80 | F | 79.9 | Confident | 80.1 | Confident | 104 Ų | 104 | 38.7 Ų | 38.7 | 46% | 0.456 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -96.4 | -4 | 174.7 | -53.6 | -85.3 | 0 | 0 | 0 | 112.9 | F76 Q77 W78 I251 | F76-F80 HydrophobicContact CE1-CE2 4Å; F76-F80 HydrophobicContact CE2-CE2 4Å; F76-F80 HydrophobicContact CE2-CZ 4.34Å; F76-F80 AromaticContact CZ-CE2 3.71Å; F76-F80 HydrophobicContact CZ-CE2 3.71Å; F76-F80 AromaticContact CZ-CZ 3.94Å; F76-F80 HydrophobicContact CZ-CZ 3.94Å; Q77-F80 PolarHBondContact O-N 3Å; W78-F80 PolarHBondContact O-N 3.12Å; F80-I251 HydrophobicContact CE1-CD1 4.05Å; F80-I251 HydrophobicContact CE2-CD1 4.4Å; F80-I251 HydrophobicContact CZ-CD1 3.8Å |
| 81 | V | 79.4 | Confident | 80.4 | Confident | 65 Ų | 65 | 36.8 Ų | 36.8 | 39% | 0.394 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -44.6 | 178.9 | 177 | 0 | 0 | 0 | 0 | 111.3 | V28 P32 W78 | V28-V81 HydrophobicContact CG1-CG1 4.44Å; P32-V81 HydrophobicContact CB-CG1 3.75Å; W78-V81 PolarHBondContact O-N 3.47Å |
| 82 | F | 77.2 | Confident | 80.5 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | trans | -79.7 | 151.5 | 177.4 | -60.7 | -63.7 | 0 | 0 | 0 | 111.7 | V28 V34 W78 L87 Y90 | V28-F82 HydrophobicContact CG1-CZ 3.94Å; V28-F82 HydrophobicContact CG2-CZ 4.21Å; V34-F82 HydrophobicContact CG2-CD1 3.6Å; V34-F82 HydrophobicContact CG2-CD2 4.28Å; V34-F82 HydrophobicContact CG2-CE1 3.54Å; V34-F82 HydrophobicContact CG2-CE2 4.23Å; V34-F82 HydrophobicContact CG2-CG 4Å; V34-F82 HydrophobicContact CG2-CZ 3.87Å; W78-F82 HydrophobicContact CB-CD2 4.22Å; W78-F82 HydrophobicContact CB-CE2 3.92Å; W78-F82 VanDerWaalsContact O-CD2 3.31Å; W78-F82 WeakPolarHBondContact O-CD2 2.97Å; W78-F82 PolarHBondContact O-N 2.71Å; W78-F82 VanDerWaalsContact O-N 3.12Å; F82-L87 HydrophobicContact CB-CB 4.03Å; F82-L87 HydrophobicContact CB-CD1 4.21Å; F82-Y90 AromaticContact CD2-CD1 3.98Å; F82-Y90 HydrophobicContact CD2-CD1 3.98Å; F82-Y90 AromaticContact CD2-CD2 3.9Å; F82-Y90 HydrophobicContact CD2-CD2 3.9Å; F82-Y90 AromaticContact CD2-CG 3.62Å; F82-Y90 HydrophobicContact CD2-CG 3.62Å; F82-Y90 HydrophobicContact CE2-CD1 4.33Å; F82-Y90 AromaticContact CE2-CD2 3.52Å; F82-Y90 HydrophobicContact CE2-CD2 3.52Å; F82-Y90 AromaticContact CE2-CE2 3.91Å; F82-Y90 HydrophobicContact CE2-CE2 3.91Å; F82-Y90 AromaticContact CE2-CG 3.77Å; F82-Y90 HydrophobicContact CE2-CG 3.77Å; F82-Y90 HydrophobicContact CZ-CD2 4.46Å | ||
| 83 | T | 73.8 | Confident | 80.5 | Confident | 114 Ų | 114 | 41.8 Ų | 41.8 | 70% | 0.699 | 24% | 0.243 | S | C | * | . | trans | -138.1 | 158.1 | 176.6 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 84 | G | 77.8 | Confident | 80.8 | Confident | 55 Ų | 55 | 40.8 Ų | 40.8 | 57% | 0.567 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | 64.9 | -138.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D86 L87 E88 | G84-D86 VanDerWaalsContact C-N 3.29Å; G84-D86 PolarHBondContact O-N 3.12Å; G84-L87 PolarHBondContact O-N 3.24Å; G84-E88 PolarHBondContact O-N 3.29Å |
| 85 | A | 77.7 | Confident | 81.1 | Confident | 81 Ų | 81 | 39.4 Ų | 39.4 | 67% | 0.669 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.9 | -30.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E88 A89 | A85-E88 PolarHBondContact O-N 3.5Å; A85-A89 WeakPolarHBondContact O-CB 3.28Å; A85-A89 PolarHBondContact O-N 3.37Å |
| 86 | D | 77.8 | Confident | 81.3 | Confident | 62 Ų | 62 | 42.5 Ų | 42.5 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 177.2 | -81.9 | 33.8 | 0 | 0 | 0 | 111.1 | T33 V34 G84 A89 Y90 | T33-D86 WeakPolarHBondContact CA-OD2 3.32Å; V34-D86 HydrophobicContact CB-CB 4.26Å; V34-D86 HydrophobicContact CG2-CB 3.87Å; V34-D86 WeakPolarHBondContact CG2-O 3.44Å; V34-D86 PolarHBondContact N-OD2 3.13Å; G84-D86 VanDerWaalsContact C-N 3.29Å; G84-D86 PolarHBondContact O-N 3.12Å; D86-A89 PolarHBondContact O-N 3.09Å; D86-Y90 WeakPolarHBondContact O-CB 3.32Å; D86-Y90 PolarHBondContact O-N 3.21Å |
| 87 | L | 81.6 | Confident | 81.5 | Confident | 27 Ų | 27 | 41.4 Ų | 41.4 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 173.4 | 177.2 | 60.2 | 0 | 0 | 0 | 111.8 | N79 F82 G84 A89 Y90 K91 | N79-L87 HydrophobicContact CB-CD1 4.29Å; N79-L87 WeakPolarHBondContact O-CD1 3.35Å; F82-L87 HydrophobicContact CB-CB 4.03Å; F82-L87 HydrophobicContact CB-CD1 4.21Å; G84-L87 PolarHBondContact O-N 3.24Å; L87-A89 VanDerWaalsContact C-N 3.35Å; L87-A89 PolarHBondContact O-N 3.07Å; L87-Y90 WeakPolarHBondContact O-CB 3.07Å; L87-Y90 PolarHBondContact O-N 3.39Å; L87-K91 HydrophobicContact CD1-CG 4.35Å; L87-K91 WeakPolarHBondContact O-CG 3.34Å; L87-K91 PolarHBondContact O-N 3.13Å |
| 88 | E | 82 | Confident | 81.7 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.2 | -37.8 | 178.3 | -66.1 | -64.5 | 120.2 | 0 | 0 | 111.9 | G84 A85 Y90 K91 V92 S130 C131 V134 | G84-E88 PolarHBondContact O-N 3.29Å; A85-E88 PolarHBondContact O-N 3.5Å; E88-Y90 VanDerWaalsContact C-N 3.34Å; E88-K91 WeakPolarHBondContact OE1-CD 3.47Å; E88-K91 WeakPolarHBondContact OE1-CE 3.18Å; E88-K91 IonicContact OE1-NZ 2.71Å; E88-K91 PolarHBondContact OE1-NZ 2.87Å; E88-V92 WeakPolarHBondContact O-CG2 3.31Å; E88-V92 PolarHBondContact O-N 3.28Å; E88-V92 VanDerWaalsContact O-N 3.15Å; E88-S130 WeakPolarHBondContact OE2-CA 3.32Å; E88-S130 WeakPolarHBondContact OE2-CB 3.23Å; E88-C131 PolarHBondContact OE2-N 3.47Å; E88-C131 PolarHBondContact OE2-SG 3.09Å; E88-V134 VanDerWaalsContact OE2-CG2 3.28Å; E88-V134 WeakPolarHBondContact OE2-CG2 3.27Å |
| 89 | A | 82.5 | Confident | 81.9 | Confident | 41 Ų | 41 | 38.1 Ų | 38.1 | 34% | 0.339 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.7 | -36 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | V34 A85 D86 L87 R93 | V34-A89 HydrophobicContact CG1-CB 4.46Å; A85-A89 WeakPolarHBondContact O-CB 3.28Å; A85-A89 PolarHBondContact O-N 3.37Å; D86-A89 PolarHBondContact O-N 3.09Å; L87-A89 VanDerWaalsContact C-N 3.35Å; L87-A89 PolarHBondContact O-N 3.07Å; A89-R93 VanDerWaalsContact O-CG 3.26Å; A89-R93 WeakPolarHBondContact O-CG 3.41Å; A89-R93 PolarHBondContact O-N 3.32Å |
| 90 | Y | 85.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.4 | -53 | 173.1 | 179.5 | -101.6 | 0 | 0 | 0 | 111.4 | L42 L75 W78 F82 D86 L87 E88 V92 R93 E94 | L42-Y90 HydrophobicContact CD1-CE2 4.2Å; L75-Y90 WeakPolarHBondContact CA-OH 3.29Å; L75-Y90 WeakPolarHBondContact CD2-OH 3.42Å; L75-Y90 PolarHBondContact O-OH 3.12Å; W78-Y90 HydrophobicContact CB-CE1 4.1Å; W78-Y90 HydrophobicContact CB-CE2 4.47Å; W78-Y90 AromaticContact CE3-CE2 3.94Å; W78-Y90 HydrophobicContact CE3-CE2 3.94Å; F82-Y90 AromaticContact CD2-CD1 3.98Å; F82-Y90 HydrophobicContact CD2-CD1 3.98Å; F82-Y90 AromaticContact CD2-CD2 3.9Å; F82-Y90 HydrophobicContact CD2-CD2 3.9Å; F82-Y90 AromaticContact CD2-CG 3.62Å; F82-Y90 HydrophobicContact CD2-CG 3.62Å; F82-Y90 HydrophobicContact CE2-CD1 4.33Å; F82-Y90 AromaticContact CE2-CD2 3.52Å; F82-Y90 HydrophobicContact CE2-CD2 3.52Å; F82-Y90 AromaticContact CE2-CE2 3.91Å; F82-Y90 HydrophobicContact CE2-CE2 3.91Å; F82-Y90 AromaticContact CE2-CG 3.77Å; F82-Y90 HydrophobicContact CE2-CG 3.77Å; F82-Y90 HydrophobicContact CZ-CD2 4.46Å; D86-Y90 WeakPolarHBondContact O-CB 3.32Å; D86-Y90 PolarHBondContact O-N 3.21Å; L87-Y90 WeakPolarHBondContact O-CB 3.07Å; L87-Y90 PolarHBondContact O-N 3.39Å; E88-Y90 VanDerWaalsContact C-N 3.34Å; Y90-V92 VanDerWaalsContact C-N 3.34Å; Y90-V92 PolarHBondContact O-N 3.34Å; Y90-R93 CarbonylContact O-C 3.59Å; Y90-R93 WeakPolarHBondContact O-CA 3.4Å; Y90-R93 WeakPolarHBondContact O-CB 3.48Å; Y90-R93 PolarHBondContact O-N 3.02Å; Y90-E94 HydrophobicContact CE1-CB 4.18Å; Y90-E94 WeakPolarHBondContact CE1-OE2 3.46Å; Y90-E94 PolarHBondContact O-N 3.06Å |
| 91 | K | 85.5 | Confident | 82.2 | Confident | 7 Ų | 7 | 35.1 Ų | 35.1 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -50.6 | -48.9 | 177.3 | -75.6 | 176.9 | 179.6 | 174.8 | 0 | 112.4 | L87 E88 R93 E94 L95 S130 V134 | L87-K91 HydrophobicContact CD1-CG 4.35Å; L87-K91 WeakPolarHBondContact O-CG 3.34Å; L87-K91 PolarHBondContact O-N 3.13Å; E88-K91 WeakPolarHBondContact OE1-CD 3.47Å; E88-K91 WeakPolarHBondContact OE1-CE 3.18Å; E88-K91 IonicContact OE1-NZ 2.71Å; E88-K91 PolarHBondContact OE1-NZ 2.87Å; K91-R93 PolarHBondContact O-N 3.28Å; K91-E94 PolarHBondContact O-N 2.9Å; K91-L95 WeakPolarHBondContact O-CB 3.37Å; K91-L95 WeakPolarHBondContact O-CD1 3.5Å; K91-L95 VanDerWaalsContact O-CG 3.22Å; K91-L95 WeakPolarHBondContact O-CG 3.28Å; K91-L95 PolarHBondContact O-N 2.91Å; K91-S130 PolarHBondContact NZ-OG 3.4Å; K91-V134 HydrophobicContact CB-CG1 4.04Å; K91-V134 HydrophobicContact CB-CG2 3.64Å; K91-V134 HydrophobicContact CD-CG1 4.15Å; K91-V134 HydrophobicContact CD-CG2 4.12Å |
| 92 | V | 84.7 | Confident | 82.3 | Confident | 22 Ų | 22 | 32 Ų | 32 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.9 | -37.1 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | E88 Y90 Q96 L133 V134 | E88-V92 WeakPolarHBondContact O-CG2 3.31Å; E88-V92 PolarHBondContact O-N 3.28Å; E88-V92 VanDerWaalsContact O-N 3.15Å; Y90-V92 VanDerWaalsContact C-N 3.34Å; Y90-V92 PolarHBondContact O-N 3.34Å; V92-Q96 WeakPolarHBondContact O-CB 3.36Å; V92-Q96 WeakPolarHBondContact O-CG 3.3Å; V92-Q96 PolarHBondContact O-N 3.33Å; V92-Q96 VanDerWaalsContact O-N 3.12Å; V92-L133 HydrophobicContact CG2-CB 3.81Å; V92-V134 HydrophobicContact CG2-CB 4.38Å; V92-V134 HydrophobicContact CG2-CG2 3.62Å |
| 93 | R | 83.3 | Confident | 82.2 | Confident | 88 Ų | 88 | 34.4 Ų | 34.4 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -87.2 | -32.3 | -173.5 | -71.8 | -74.9 | -164.1 | -166.2 | 12.7 | 113.1 | L39 A89 Y90 K91 Q96 F97 | L39-R93 HydrophobicContact CD1-CG 4.15Å; L39-R93 HydrophobicContact CD2-CB 3.82Å; L39-R93 HydrophobicContact CD2-CG 3.62Å; L39-R93 HydrophobicContact CG-CG 4.34Å; A89-R93 VanDerWaalsContact O-CG 3.26Å; A89-R93 WeakPolarHBondContact O-CG 3.41Å; A89-R93 PolarHBondContact O-N 3.32Å; Y90-R93 CarbonylContact O-C 3.59Å; Y90-R93 WeakPolarHBondContact O-CA 3.4Å; Y90-R93 WeakPolarHBondContact O-CB 3.48Å; Y90-R93 PolarHBondContact O-N 3.02Å; K91-R93 PolarHBondContact O-N 3.28Å; R93-Q96 PolarHBondContact O-N 2.73Å; R93-F97 WeakPolarHBondContact O-CB 3.35Å; R93-F97 PolarHBondContact O-N 3.32Å |
| 94 | E | 85.8 | Confident | 81.9 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -46.6 | 167.5 | 178.9 | 170.3 | -144 | 0 | 0 | 110.8 | N79 Y90 K91 Q96 F97 Y98 T122 | N79-E94 PolarHBondContact ND2-OE2 3.34Å; Y90-E94 HydrophobicContact CE1-CB 4.18Å; Y90-E94 WeakPolarHBondContact CE1-OE2 3.46Å; Y90-E94 PolarHBondContact O-N 3.06Å; K91-E94 PolarHBondContact O-N 2.9Å; E94-Q96 VanDerWaalsContact C-N 3.32Å; E94-Q96 PolarHBondContact O-N 2.82Å; E94-F97 WeakPolarHBondContact O-CB 3.22Å; E94-F97 PolarHBondContact O-N 3.34Å; E94-F97 VanDerWaalsContact O-N 3.1Å; E94-Y98 HydrophobicContact CG-CD2 3.82Å; E94-Y98 HydrophobicContact CG-CE2 3.39Å; E94-Y98 WeakPolarHBondContact O-CD2 3.28Å; E94-Y98 PolarHBondContact O-N 3.07Å; E94-T122 VanDerWaalsContact OE1-CG2 3.23Å; E94-T122 WeakPolarHBondContact OE1-CG2 3.11Å |
| 95 | L | 86.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 174.5 | -66.9 | 167.7 | 0 | 0 | 0 | 112.2 | K91 Y98 D99 C126 V134 A137 L138 L141 | K91-L95 WeakPolarHBondContact O-CB 3.37Å; K91-L95 WeakPolarHBondContact O-CD1 3.5Å; K91-L95 VanDerWaalsContact O-CG 3.22Å; K91-L95 WeakPolarHBondContact O-CG 3.28Å; K91-L95 PolarHBondContact O-N 2.91Å; L95-Y98 PolarHBondContact O-N 2.91Å; L95-D99 WeakPolarHBondContact O-CB 3.22Å; L95-D99 PolarHBondContact O-N 3.33Å; L95-C126 HydrophobicContact CD1-CB 4.07Å; L95-C126 HydrophobicContact CD2-CB 4.28Å; L95-V134 HydrophobicContact CD1-CG1 3.71Å; L95-A137 HydrophobicContact CB-CB 3.85Å; L95-A137 HydrophobicContact CD1-CB 3.85Å; L95-L138 HydrophobicContact CD1-CB 4.07Å; L95-L138 HydrophobicContact CD2-CD1 3.99Å; L95-L141 HydrophobicContact CB-CD2 4.38Å; L95-L141 HydrophobicContact CD2-CD2 3.47Å; L95-L141 VanDerWaalsContact CD2-CD2 3.47Å |
| 96 | Q | 85.7 | Confident | 80.8 | Confident | 66 Ų | 66 | 27.4 Ų | 27.4 | 31% | 0.308 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -67.8 | -33 | 173.2 | -77.7 | 171.1 | 13.8 | 0 | 0 | 113.3 | V92 R93 E94 S100 | V92-Q96 WeakPolarHBondContact O-CB 3.36Å; V92-Q96 WeakPolarHBondContact O-CG 3.3Å; V92-Q96 PolarHBondContact O-N 3.33Å; V92-Q96 VanDerWaalsContact O-N 3.12Å; R93-Q96 PolarHBondContact O-N 2.73Å; E94-Q96 VanDerWaalsContact C-N 3.32Å; E94-Q96 PolarHBondContact O-N 2.82Å; Q96-S100 WeakPolarHBondContact O-CB 3.44Å; Q96-S100 PolarHBondContact O-N 3.29Å; Q96-S100 PolarHBondContact O-OG 3.01Å |
| 97 | F | 86.2 | Confident | 80.3 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 2% | 0.022 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 173.8 | 163.7 | -90.5 | 0 | 0 | 0 | 110.7 | L45 A46 M49 F72 L75 R93 E94 S100 L101 | L45-F97 HydrophobicContact CB-CE2 4.33Å; A46-F97 HydrophobicContact CB-CD2 3.88Å; A46-F97 HydrophobicContact CB-CE2 4.29Å; M49-F97 HydrophobicContact CE-CE2 3.79Å; M49-F97 HydrophobicContact CE-CZ 3.65Å; F72-F97 HydrophobicContact CD1-CE1 4.12Å; F72-F97 AromaticContact CE1-CE1 3.83Å; F72-F97 HydrophobicContact CE1-CE1 3.83Å; F72-F97 AromaticContact CE1-CZ 3.97Å; F72-F97 HydrophobicContact CE1-CZ 3.97Å; L75-F97 HydrophobicContact CD1-CD1 4.2Å; L75-F97 HydrophobicContact CD1-CE1 3.46Å; L75-F97 VanDerWaalsContact CD1-CE1 3.46Å; L75-F97 HydrophobicContact CD1-CZ 3.66Å; R93-F97 WeakPolarHBondContact O-CB 3.35Å; R93-F97 PolarHBondContact O-N 3.32Å; E94-F97 WeakPolarHBondContact O-CB 3.22Å; E94-F97 PolarHBondContact O-N 3.34Å; E94-F97 VanDerWaalsContact O-N 3.1Å; F97-S100 PolarHBondContact O-N 2.82Å; F97-L101 HydrophobicContact CD1-CD1 4.16Å; F97-L101 HydrophobicContact CE1-CD1 3.74Å; F97-L101 HydrophobicContact CE2-CD1 4.24Å; F97-L101 HydrophobicContact CZ-CD1 3.8Å; F97-L101 WeakPolarHBondContact O-CG 3.41Å; F97-L101 PolarHBondContact O-N 3.42Å; F97-L101 VanDerWaalsContact O-N 3.16Å |
| 98 | Y | 85.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.3 | -43.1 | 173.8 | -69.8 | -62.3 | 0 | 0 | 0 | 113 | F72 E94 L95 S100 L101 I102 F115 F119 T122 | F72-Y98 AromaticContact CD1-CE1 3.79Å; F72-Y98 HydrophobicContact CD1-CE1 3.79Å; F72-Y98 HydrophobicContact CE1-CE1 4.32Å; E94-Y98 HydrophobicContact CG-CD2 3.82Å; E94-Y98 HydrophobicContact CG-CE2 3.39Å; E94-Y98 WeakPolarHBondContact O-CD2 3.28Å; E94-Y98 PolarHBondContact O-N 3.07Å; L95-Y98 PolarHBondContact O-N 2.91Å; Y98-S100 VanDerWaalsContact C-N 3.26Å; Y98-S100 PolarHBondContact O-N 3.28Å; Y98-L101 PolarHBondContact O-N 2.76Å; Y98-I102 WeakPolarHBondContact O-CB 3.33Å; Y98-I102 WeakPolarHBondContact O-CG1 3.24Å; Y98-I102 PolarHBondContact O-N 2.82Å; Y98-F115 AromaticContact CD1-CE2 3.76Å; Y98-F115 HydrophobicContact CD1-CE2 3.76Å; Y98-F115 AromaticContact CD1-CZ 3.81Å; Y98-F115 HydrophobicContact CD1-CZ 3.81Å; Y98-F115 AromaticContact CE1-CE2 3.73Å; Y98-F115 HydrophobicContact CE1-CE2 3.73Å; Y98-F115 HydrophobicContact CE1-CZ 4.15Å; Y98-F119 AromaticContact CD1-CD2 3.68Å; Y98-F119 HydrophobicContact CD1-CD2 3.68Å; Y98-F119 HydrophobicContact CD1-CE2 4.27Å; Y98-F119 HydrophobicContact CD2-CD2 4.2Å; Y98-F119 HydrophobicContact CE1-CD2 4.12Å; Y98-F119 AromaticContact CG-CD2 3.75Å; Y98-F119 HydrophobicContact CG-CD2 3.75Å; Y98-F119 HydrophobicContact CG-CE2 4.01Å; Y98-T122 HydrophobicContact CE2-CG2 4.03Å |
| 99 | D | 84.7 | Confident | 79.3 | Confident | 18 Ų | 18 | 27.3 Ų | 27.3 | 10% | 0.096 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -37 | 176.2 | -175.7 | 53.2 | 0 | 0 | 0 | 111.3 | L95 G103 R140 L141 T144 | L95-D99 WeakPolarHBondContact O-CB 3.22Å; L95-D99 PolarHBondContact O-N 3.33Å; D99-G103 WeakPolarHBondContact O-CA 3.3Å; D99-G103 PolarHBondContact O-N 2.66Å; D99-R140 IonicContact OD1-NH2 3.17Å; D99-R140 IonicContact OD2-CZ 2.77Å; D99-R140 IonicContact OD2-NE 2.68Å; D99-R140 PolarHBondContact OD2-NE 2.77Å; D99-R140 IonicContact OD2-NH2 3.45Å; D99-R140 PolarHBondContact OD2-NH2 3.24Å; D99-L141 HydrophobicContact CB-CD1 4.01Å; D99-T144 WeakPolarHBondContact OD1-CB 3.29Å; D99-T144 PolarHBondContact OD1-OG1 2.72Å |
| 100 | S | 81.6 | Confident | 78.7 | Confident | 44 Ų | 44 | 25.5 Ų | 25.5 | 31% | 0.308 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65 | -44.3 | 175.6 | -61 | 0 | 0 | 0 | 0 | 112.5 | M50 Q96 F97 Y98 | M50-S100 WeakPolarHBondContact CE-O 3.34Å; Q96-S100 WeakPolarHBondContact O-CB 3.44Å; Q96-S100 PolarHBondContact O-N 3.29Å; Q96-S100 PolarHBondContact O-OG 3.01Å; F97-S100 PolarHBondContact O-N 2.82Å; Y98-S100 VanDerWaalsContact C-N 3.26Å; Y98-S100 PolarHBondContact O-N 3.28Å |
| 101 | L | 81.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.6 | -56.4 | 179.4 | -69.7 | 169.1 | 0 | 0 | 0 | 111.4 | M49 M50 F72 F97 Y98 G103 S104 Y109 F115 | M49-L101 HydrophobicContact CB-CD2 3.87Å; M49-L101 HydrophobicContact CE-CD1 3.96Å; M49-L101 HydrophobicContact CE-CD2 3.97Å; M49-L101 HydrophobicContact SD-CD2 4.4Å; M50-L101 HydrophobicContact CG-CD2 4.23Å; F72-L101 HydrophobicContact CE1-CD1 4.09Å; F97-L101 HydrophobicContact CD1-CD1 4.16Å; F97-L101 HydrophobicContact CE1-CD1 3.74Å; F97-L101 HydrophobicContact CE2-CD1 4.24Å; F97-L101 HydrophobicContact CZ-CD1 3.8Å; F97-L101 WeakPolarHBondContact O-CG 3.41Å; F97-L101 PolarHBondContact O-N 3.42Å; F97-L101 VanDerWaalsContact O-N 3.16Å; Y98-L101 PolarHBondContact O-N 2.76Å; L101-G103 VanDerWaalsContact C-N 3.35Å; L101-G103 PolarHBondContact O-N 3.04Å; L101-S104 PolarHBondContact O-N 2.83Å; L101-S104 PolarHBondContact O-OG 2.85Å; L101-Y109 HydrophobicContact CB-CD2 4.46Å; L101-Y109 HydrophobicContact CB-CE2 4.26Å; L101-Y109 VanDerWaalsContact O-CE2 3.25Å; L101-Y109 WeakPolarHBondContact O-CE2 3.24Å; L101-F115 HydrophobicContact CD1-CE2 4.48Å |
| 102 | I | 80.2 | Confident | 77 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | -175.5 | -69.9 | 173.5 | 0 | 0 | 0 | 110.4 | Y98 S104 N105 G106 L110 F115 F119 L141 T144 V145 I148 | Y98-I102 WeakPolarHBondContact O-CB 3.33Å; Y98-I102 WeakPolarHBondContact O-CG1 3.24Å; Y98-I102 PolarHBondContact O-N 2.82Å; I102-S104 PolarHBondContact O-N 3.38Å; I102-N105 PolarHBondContact O-N 2.95Å; I102-G106 WeakPolarHBondContact O-CA 3.46Å; I102-G106 PolarHBondContact O-N 3.39Å; I102-L110 HydrophobicContact CD1-CD2 4.4Å; I102-F115 HydrophobicContact CD1-CE1 4.09Å; I102-F115 HydrophobicContact CD1-CZ 3.99Å; I102-F115 HydrophobicContact CG1-CE1 4.21Å; I102-F115 HydrophobicContact CG1-CZ 4.01Å; I102-F119 HydrophobicContact CD1-CD2 4.05Å; I102-F119 HydrophobicContact CD1-CE1 4.04Å; I102-F119 HydrophobicContact CD1-CE2 3.35Å; I102-F119 HydrophobicContact CD1-CZ 3.35Å; I102-L141 HydrophobicContact CD1-CD1 4.29Å; I102-T144 HydrophobicContact CG2-CG2 4.14Å; I102-V145 HydrophobicContact CD1-CG2 4.31Å; I102-V145 HydrophobicContact CG2-CG2 4.22Å; I102-I148 HydrophobicContact CG2-CD1 3.37Å; I102-I148 WeakPolarHBondContact O-CD1 3.39Å |
| 103 | G | 76.2 | Confident | 76.2 | Confident | 52 Ų | 52 | 31.3 Ų | 31.3 | 54% | 0.536 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.1 | -3.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | D99 L101 | D99-G103 WeakPolarHBondContact O-CA 3.3Å; D99-G103 PolarHBondContact O-N 2.66Å; L101-G103 VanDerWaalsContact C-N 3.35Å; L101-G103 PolarHBondContact O-N 3.04Å |
| 104 | S | 67.9 | Low | 75.6 | Confident | 50 Ų | 50 | 29.1 Ų | 29.1 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -104.1 | -42.6 | 171.6 | 74.6 | 0 | 0 | 0 | 0 | 114.4 | M50 L101 I102 | M50-S104 PolarHBondContact SD-OG 2.95Å; L101-S104 PolarHBondContact O-N 2.83Å; L101-S104 PolarHBondContact O-OG 2.85Å; I102-S104 PolarHBondContact O-N 3.38Å |
| 105 | N | 66.5 | Low | 75.3 | Confident | 52 Ų | 52 | 29 Ų | 29 | 28% | 0.278 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -159 | 45.9 | -166.2 | -67.7 | -86 | 0 | 0 | 0 | 110.8 | R52 I102 D107 L108 Y109 | R52-N105 PolarHBondContact NH1-OD1 3.25Å; R52-N105 VanDerWaalsContact NH2-CG 3.32Å; R52-N105 PolarHBondContact NH2-OD1 2.9Å; I102-N105 PolarHBondContact O-N 2.95Å; N105-D107 PolarHBondContact O-N 3.45Å; N105-L108 PolarHBondContact O-N 2.98Å; N105-Y109 HydrophobicContact CB-CE2 4.49Å; N105-Y109 WeakPolarHBondContact O-CD2 3.33Å |
| 106 | G | 66.5 | Low | 74.8 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -48.6 | -35.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I102 L108 Y109 L110 | I102-G106 WeakPolarHBondContact O-CA 3.46Å; I102-G106 PolarHBondContact O-N 3.39Å; G106-L108 PolarHBondContact O-N 2.97Å; G106-L108 VanDerWaalsContact O-N 3.11Å; G106-Y109 PolarHBondContact O-N 3.31Å; G106-L110 WeakPolarHBondContact O-CB 3.49Å; G106-L110 VanDerWaalsContact O-CG 3.31Å; G106-L110 WeakPolarHBondContact O-CG 3.19Å; G106-L110 PolarHBondContact O-N 2.99Å |
| 107 | D | 66 | Low | 74.3 | Confident | 89 Ų | 89 | 27.3 Ų | 27.3 | 48% | 0.476 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -48.1 | -36 | 174.6 | -54.7 | 12.9 | 0 | 0 | 0 | 114 | N105 S111 Q152 | N105-D107 PolarHBondContact O-N 3.45Å; D107-S111 PolarHBondContact O-OG 3.2Å; D107-Q152 VanDerWaalsContact OD1-CG 3.29Å; D107-Q152 WeakPolarHBondContact OD1-CG 3.18Å; D107-Q152 PolarHBondContact OD1-NE2 3.31Å |
| 108 | L | 67.3 | Low | 73.9 | Confident | 32 Ų | 32 | 27.4 Ų | 27.4 | 17% | 0.168 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -82.4 | -25.3 | 180 | -171.1 | 67.6 | 0 | 0 | 0 | 112.7 | P57 N105 G106 S111 H112 | P57-L108 WeakPolarHBondContact O-CD1 3.29Å; N105-L108 PolarHBondContact O-N 2.98Å; G106-L108 PolarHBondContact O-N 2.97Å; G106-L108 VanDerWaalsContact O-N 3.11Å; L108-S111 PolarHBondContact O-OG 3.09Å; L108-H112 PolarHBondContact O-CD2 3.48Å |
| 109 | Y | 74.9 | Confident | 73.8 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -94.4 | -39 | -176.6 | -59.6 | -61.5 | 0 | 0 | 0 | 112 | F63 L101 N105 G106 S111 H112 F115 | F63-Y109 HydrophobicContact CB-CE1 4.36Å; F63-Y109 HydrophobicContact CD1-CD1 4.22Å; F63-Y109 HydrophobicContact CD1-CE1 4.38Å; F63-Y109 AromaticContact CD2-CD1 3.72Å; F63-Y109 HydrophobicContact CD2-CD1 3.72Å; F63-Y109 AromaticContact CD2-CE1 3.72Å; F63-Y109 HydrophobicContact CD2-CE1 3.72Å; F63-Y109 HydrophobicContact CE1-CD1 4.05Å; F63-Y109 AromaticContact CE2-CD1 3.56Å; F63-Y109 HydrophobicContact CE2-CD1 3.56Å; F63-Y109 HydrophobicContact CE2-CE1 4.06Å; F63-Y109 HydrophobicContact CG-CD1 4.06Å; F63-Y109 AromaticContact CG-CE1 3.9Å; F63-Y109 HydrophobicContact CG-CE1 3.9Å; F63-Y109 AromaticContact CZ-CD1 3.73Å; F63-Y109 HydrophobicContact CZ-CD1 3.73Å; L101-Y109 HydrophobicContact CB-CD2 4.46Å; L101-Y109 HydrophobicContact CB-CE2 4.26Å; L101-Y109 VanDerWaalsContact O-CE2 3.25Å; L101-Y109 WeakPolarHBondContact O-CE2 3.24Å; N105-Y109 HydrophobicContact CB-CE2 4.49Å; N105-Y109 WeakPolarHBondContact O-CD2 3.33Å; G106-Y109 PolarHBondContact O-N 3.31Å; Y109-S111 VanDerWaalsContact C-N 3.26Å; Y109-S111 PolarHBondContact O-N 2.83Å; Y109-H112 PolarHBondContact O-N 2.97Å; Y109-F115 VanDerWaalsContact O-CD1 3.32Å; Y109-F115 WeakPolarHBondContact O-CD1 3.23Å |
| 110 | L | 71 | Confident | 73.5 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -9 | -176.5 | -63 | 171.2 | 0 | 0 | 0 | 114 | I102 G106 F115 V116 I148 L188 F191 | I102-L110 HydrophobicContact CD1-CD2 4.4Å; G106-L110 WeakPolarHBondContact O-CB 3.49Å; G106-L110 VanDerWaalsContact O-CG 3.31Å; G106-L110 WeakPolarHBondContact O-CG 3.19Å; G106-L110 PolarHBondContact O-N 2.99Å; L110-F115 HydrophobicContact CD2-CE1 4.11Å; L110-V116 HydrophobicContact CD2-CG2 4.48Å; L110-V116 WeakPolarHBondContact O-CG2 3.21Å; L110-I148 HydrophobicContact CD1-CG2 4.19Å; L110-L188 HydrophobicContact CB-CD2 4.21Å; L110-F191 HydrophobicContact CB-CD1 4.2Å; L110-F191 HydrophobicContact CB-CE1 4.4Å; L110-F191 HydrophobicContact CB-CG 4.42Å; L110-F191 HydrophobicContact CD1-CD1 4.38Å; L110-F191 HydrophobicContact CD1-CE1 3.81Å; L110-F191 HydrophobicContact CD1-CZ 4.11Å; L110-F191 HydrophobicContact CD2-CD2 4.32Å; L110-F191 HydrophobicContact CD2-CE1 4.16Å; L110-F191 HydrophobicContact CD2-CE2 3.86Å; L110-F191 HydrophobicContact CD2-CZ 3.78Å; L110-F191 HydrophobicContact CG-CE1 4.35Å; L110-F191 HydrophobicContact CG-CZ 4.44Å |
| 111 | S | 66.2 | Low | 73.2 | Confident | 45 Ų | 45 | 25.2 Ų | 25.2 | 32% | 0.315 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -8.9 | 171.6 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | D107 L108 Y109 | D107-S111 PolarHBondContact O-OG 3.2Å; L108-S111 PolarHBondContact O-OG 3.09Å; Y109-S111 VanDerWaalsContact C-N 3.26Å; Y109-S111 PolarHBondContact O-N 2.83Å |
| 112 | H | 69.3 | Low | 73.2 | Confident | 66 Ų | 66 | 25.2 Ų | 25.2 | 31% | 0.306 | 16% | 0.159 | S | C | . | . | trans | -104.8 | 110.1 | -179.5 | -72.7 | -106.4 | 0 | 0 | 0 | 111.6 | F63 L67 L108 Y109 A114 F115 V116 | F63-H112 HydrophobicContact CE1-CB 4.23Å; F63-H112 AromaticContact CE1-CD2 3.79Å; F63-H112 AromaticContact CE1-CG 3.83Å; F63-H112 HydrophobicContact CZ-CB 4.22Å; L67-H112 HydrophobicContact CD1-CB 4.3Å; L108-H112 PolarHBondContact O-CD2 3.48Å; Y109-H112 PolarHBondContact O-N 2.97Å; H112-A114 VanDerWaalsContact C-N 3.26Å; H112-A114 PolarHBondContact O-N 3.02Å; H112-F115 HydrophobicContact CB-CB 4.46Å; H112-F115 WeakPolarHBondContact O-CB 3.3Å; H112-F115 PolarHBondContact O-N 3.25Å; H112-V116 PolarHBondContact O-N 3.32Å; H112-V116 VanDerWaalsContact O-N 3.08Å | ||
| 113 | E | 67.8 | Low | 73.4 | Confident | 41 Ų | 41 | 25.2 Ų | 25.2 | 19% | 0.192 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -50.2 | -42.1 | 178.5 | -179 | 173.2 | -157.3 | 0 | 0 | 113.5 | F115 V116 I117 L190 I204 | E113-F115 PolarHBondContact O-N 3.12Å; E113-V116 PolarHBondContact O-N 3Å; E113-V116 VanDerWaalsContact O-N 3.11Å; E113-I117 HydrophobicContact CG-CD1 3.59Å; E113-I117 HydrophobicContact CG-CG1 4.14Å; E113-I117 PolarHBondContact O-N 3.32Å; E113-L190 HydrophobicContact CB-CD2 4.04Å; E113-L190 HydrophobicContact CG-CD1 4.1Å; E113-L190 HydrophobicContact CG-CD2 3.96Å; E113-L190 WeakPolarHBondContact OE1-CD1 3.43Å; E113-I204 WeakPolarHBondContact OE1-CG2 3.47Å |
| 114 | A | 70 | Confident | 73.5 | Confident | 42 Ų | 42 | 23.4 Ų | 23.4 | 35% | 0.347 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -68.7 | -9.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | L67 H112 | L67-A114 HydrophobicContact CD2-CB 4.13Å; H112-A114 VanDerWaalsContact C-N 3.26Å; H112-A114 PolarHBondContact O-N 3.02Å |
| 115 | F | 80.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -94.9 | -44.7 | 164.4 | 172.4 | -96.7 | 0 | 0 | 0 | 110.8 | F63 L67 F72 Y98 L101 I102 Y109 L110 H112 E113 I117 P118 F119 | F63-F115 HydrophobicContact CE2-CB 4.45Å; F63-F115 HydrophobicContact CE2-CD2 4.29Å; F63-F115 HydrophobicContact CZ-CB 4.12Å; L67-F115 HydrophobicContact CD2-CB 4.41Å; F72-F115 AromaticContact CD1-CD2 3.82Å; F72-F115 HydrophobicContact CD1-CD2 3.82Å; F72-F115 AromaticContact CD1-CE2 3.99Å; F72-F115 HydrophobicContact CD1-CE2 3.99Å; F72-F115 AromaticContact CD2-CD2 3.97Å; F72-F115 HydrophobicContact CD2-CD2 3.97Å; F72-F115 AromaticContact CE1-CD2 3.71Å; F72-F115 HydrophobicContact CE1-CD2 3.71Å; F72-F115 AromaticContact CE1-CE2 3.72Å; F72-F115 HydrophobicContact CE1-CE2 3.72Å; F72-F115 AromaticContact CE2-CD2 3.87Å; F72-F115 HydrophobicContact CE2-CD2 3.87Å; F72-F115 AromaticContact CG-CD2 3.95Å; F72-F115 HydrophobicContact CG-CD2 3.95Å; F72-F115 AromaticContact CZ-CD2 3.73Å; F72-F115 HydrophobicContact CZ-CD2 3.73Å; F72-F115 HydrophobicContact CZ-CE2 4.09Å; Y98-F115 AromaticContact CD1-CE2 3.76Å; Y98-F115 HydrophobicContact CD1-CE2 3.76Å; Y98-F115 AromaticContact CD1-CZ 3.81Å; Y98-F115 HydrophobicContact CD1-CZ 3.81Å; Y98-F115 AromaticContact CE1-CE2 3.73Å; Y98-F115 HydrophobicContact CE1-CE2 3.73Å; Y98-F115 HydrophobicContact CE1-CZ 4.15Å; L101-F115 HydrophobicContact CD1-CE2 4.48Å; I102-F115 HydrophobicContact CD1-CE1 4.09Å; I102-F115 HydrophobicContact CD1-CZ 3.99Å; I102-F115 HydrophobicContact CG1-CE1 4.21Å; I102-F115 HydrophobicContact CG1-CZ 4.01Å; Y109-F115 VanDerWaalsContact O-CD1 3.32Å; Y109-F115 WeakPolarHBondContact O-CD1 3.23Å; L110-F115 HydrophobicContact CD2-CE1 4.11Å; H112-F115 HydrophobicContact CB-CB 4.46Å; H112-F115 WeakPolarHBondContact O-CB 3.3Å; H112-F115 PolarHBondContact O-N 3.25Å; E113-F115 PolarHBondContact O-N 3.12Å; F115-I117 PolarHBondContact O-N 3.44Å; F115-P118 WeakPolarHBondContact O-CD 3.5Å; F115-F119 HydrophobicContact CE1-CB 4.37Å; F115-F119 HydrophobicContact CE1-CG 4.3Å; F115-F119 HydrophobicContact CZ-CD2 4.39Å; F115-F119 WeakPolarHBondContact O-CB 3.44Å; F115-F119 PolarHBondContact O-N 2.87Å; F115-F119 VanDerWaalsContact O-N 3.09Å |
| 116 | V | 75.5 | Confident | 74.8 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.8 | -40.1 | -173.7 | 175.4 | 0 | 0 | 0 | 0 | 113.3 | L110 H112 E113 F119 M120 F191 L194 | L110-V116 HydrophobicContact CD2-CG2 4.48Å; L110-V116 WeakPolarHBondContact O-CG2 3.21Å; H112-V116 PolarHBondContact O-N 3.32Å; H112-V116 VanDerWaalsContact O-N 3.08Å; E113-V116 PolarHBondContact O-N 3Å; E113-V116 VanDerWaalsContact O-N 3.11Å; V116-F119 PolarHBondContact O-N 3.35Å; V116-M120 HydrophobicContact CG1-CG 4.29Å; V116-M120 WeakPolarHBondContact O-CG 3.46Å; V116-M120 PolarHBondContact O-N 2.88Å; V116-F191 HydrophobicContact CG1-CD2 3.66Å; V116-F191 HydrophobicContact CG1-CE2 4.33Å; V116-F191 HydrophobicContact CG2-CD2 4.17Å; V116-L194 HydrophobicContact CG1-CD1 3.53Å |
| 117 | I | 74.3 | Confident | 75.4 | Confident | 30 Ų | 30 | 21.9 Ų | 21.9 | 15% | 0.154 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -53.1 | -178 | -66.9 | 174.7 | 0 | 0 | 0 | 111.5 | E113 F115 F119 M120 A121 L194 I204 M248 | E113-I117 HydrophobicContact CG-CD1 3.59Å; E113-I117 HydrophobicContact CG-CG1 4.14Å; E113-I117 PolarHBondContact O-N 3.32Å; F115-I117 PolarHBondContact O-N 3.44Å; I117-F119 VanDerWaalsContact C-N 3.28Å; I117-F119 PolarHBondContact O-N 2.66Å; I117-M120 PolarHBondContact O-N 3.05Å; I117-A121 WeakPolarHBondContact O-CB 3.35Å; I117-A121 PolarHBondContact O-N 3.42Å; I117-A121 VanDerWaalsContact O-N 3.11Å; I117-L194 HydrophobicContact CG1-CD1 4.41Å; I117-I204 HydrophobicContact CD1-CD1 4.38Å; I117-M248 HydrophobicContact CG2-CE 4.46Å |
| 118 | P | 78.4 | Confident | 75.7 | Confident | 8 Ų | 8 | 21.1 Ų | 21.1 | 5% | 0.052 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.5 | -38.7 | 172.5 | -25.6 | 35.2 | 0 | 0 | 0 | 113.1 | F72 E73 F115 A121 T122 | F72-P118 HydrophobicContact CB-CB 3.97Å; F72-P118 HydrophobicContact CB-CG 4.17Å; E73-P118 HydrophobicContact CG-CG 3.88Å; F115-P118 WeakPolarHBondContact O-CD 3.5Å; P118-A121 PolarHBondContact O-N 2.79Å; P118-T122 WeakPolarHBondContact O-CG2 3.44Å; P118-T122 PolarHBondContact O-N 2.96Å |
| 119 | F | 84.2 | Confident | 75.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 178.9 | 174.1 | -107.4 | 0 | 0 | 0 | 113.3 | Y98 I102 F115 V116 I117 A121 T122 M123 L141 V145 | Y98-F119 AromaticContact CD1-CD2 3.68Å; Y98-F119 HydrophobicContact CD1-CD2 3.68Å; Y98-F119 HydrophobicContact CD1-CE2 4.27Å; Y98-F119 HydrophobicContact CD2-CD2 4.2Å; Y98-F119 HydrophobicContact CE1-CD2 4.12Å; Y98-F119 AromaticContact CG-CD2 3.75Å; Y98-F119 HydrophobicContact CG-CD2 3.75Å; Y98-F119 HydrophobicContact CG-CE2 4.01Å; I102-F119 HydrophobicContact CD1-CD2 4.05Å; I102-F119 HydrophobicContact CD1-CE1 4.04Å; I102-F119 HydrophobicContact CD1-CE2 3.35Å; I102-F119 HydrophobicContact CD1-CZ 3.35Å; F115-F119 HydrophobicContact CE1-CB 4.37Å; F115-F119 HydrophobicContact CE1-CG 4.3Å; F115-F119 HydrophobicContact CZ-CD2 4.39Å; F115-F119 WeakPolarHBondContact O-CB 3.44Å; F115-F119 PolarHBondContact O-N 2.87Å; F115-F119 VanDerWaalsContact O-N 3.09Å; V116-F119 PolarHBondContact O-N 3.35Å; I117-F119 VanDerWaalsContact C-N 3.28Å; I117-F119 PolarHBondContact O-N 2.66Å; F119-A121 VanDerWaalsContact C-N 3.3Å; F119-A121 PolarHBondContact O-N 3.03Å; F119-T122 PolarHBondContact O-N 3.34Å; F119-T122 PolarHBondContact O-OG1 2.9Å; F119-M123 HydrophobicContact CD1-SD 4.21Å; F119-M123 HydrophobicContact CE1-SD 3.48Å; F119-M123 WeakPolarHBondContact CE1-SD 3.42Å; F119-M123 HydrophobicContact CE2-CG 4.44Å; F119-M123 HydrophobicContact CE2-SD 3.97Å; F119-M123 HydrophobicContact CZ-CG 4.36Å; F119-M123 HydrophobicContact CZ-SD 3.34Å; F119-M123 WeakPolarHBondContact CZ-SD 3.5Å; F119-M123 PolarHBondContact O-N 3.37Å; F119-M123 VanDerWaalsContact O-N 3.07Å; F119-L141 HydrophobicContact CE2-CD1 4.1Å; F119-L141 HydrophobicContact CE2-CD2 3.92Å; F119-L141 HydrophobicContact CE2-CG 4.26Å; F119-L141 HydrophobicContact CZ-CD1 4.26Å; F119-L141 HydrophobicContact CZ-CD2 4.35Å; F119-L141 HydrophobicContact CZ-CG 4.31Å; F119-V145 HydrophobicContact CE1-CG2 4.15Å; F119-V145 HydrophobicContact CZ-CG2 3.8Å |
| 120 | M | 77.1 | Confident | 75.9 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.7 | -35.9 | 175.5 | -71.4 | -62.8 | -64.1 | 0 | 0 | 111.5 | V116 I117 M123 H124 I306 I309 | V116-M120 HydrophobicContact CG1-CG 4.29Å; V116-M120 WeakPolarHBondContact O-CG 3.46Å; V116-M120 PolarHBondContact O-N 2.88Å; I117-M120 PolarHBondContact O-N 3.05Å; M120-M123 HydrophobicContact CE-CE 4.46Å; M120-M123 PolarHBondContact O-N 3.47Å; M120-M123 HydrophobicContact SD-CE 4.01Å; M120-H124 WeakPolarHBondContact O-CB 3.18Å; M120-H124 PolarHBondContact O-N 2.99Å; M120-I306 HydrophobicContact CE-CG2 4.07Å; M120-I309 HydrophobicContact CE-CG1 4.29Å |
| 121 | A | 76 | Confident | 76.5 | Confident | 14 Ų | 14 | 34.5 Ų | 34.5 | 12% | 0.116 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.8 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | F76 I117 P118 F119 H125 | F76-A121 HydrophobicContact CD1-CB 4.4Å; F76-A121 HydrophobicContact CD2-CB 4.18Å; F76-A121 HydrophobicContact CE1-CB 4Å; F76-A121 HydrophobicContact CE2-CB 3.76Å; F76-A121 HydrophobicContact CG-CB 4.48Å; F76-A121 HydrophobicContact CZ-CB 3.66Å; I117-A121 WeakPolarHBondContact O-CB 3.35Å; I117-A121 PolarHBondContact O-N 3.42Å; I117-A121 VanDerWaalsContact O-N 3.11Å; P118-A121 PolarHBondContact O-N 2.79Å; F119-A121 VanDerWaalsContact C-N 3.3Å; F119-A121 PolarHBondContact O-N 3.03Å; A121-H125 WeakPolarHBondContact O-CB 3.31Å; A121-H125 PolarHBondContact O-N 2.82Å |
| 122 | T | 82.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 174.4 | 62.1 | 0 | 0 | 0 | 0 | 111.4 | F76 E94 Y98 P118 F119 H125 C126 | F76-T122 HydrophobicContact CB-CG2 3.8Å; F76-T122 HydrophobicContact CD2-CG2 3.58Å; F76-T122 HydrophobicContact CG-CG2 4.1Å; E94-T122 VanDerWaalsContact OE1-CG2 3.23Å; E94-T122 WeakPolarHBondContact OE1-CG2 3.11Å; Y98-T122 HydrophobicContact CE2-CG2 4.03Å; P118-T122 WeakPolarHBondContact O-CG2 3.44Å; P118-T122 PolarHBondContact O-N 2.96Å; F119-T122 PolarHBondContact O-N 3.34Å; F119-T122 PolarHBondContact O-OG1 2.9Å; T122-H125 PolarHBondContact O-N 3.28Å; T122-C126 WeakPolarHBondContact O-CB 3.24Å; T122-C126 PolarHBondContact O-N 3.13Å; T122-C126 PolarHBondContact O-SG 2.87Å |
| 123 | M | 83.3 | Confident | 78 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 175.1 | -80.3 | -179.6 | 25.6 | 0 | 0 | 112.5 | F119 M120 C126 S127 L138 L141 L142 I309 L312 | F119-M123 HydrophobicContact CD1-SD 4.21Å; F119-M123 HydrophobicContact CE1-SD 3.48Å; F119-M123 WeakPolarHBondContact CE1-SD 3.42Å; F119-M123 HydrophobicContact CE2-CG 4.44Å; F119-M123 HydrophobicContact CE2-SD 3.97Å; F119-M123 HydrophobicContact CZ-CG 4.36Å; F119-M123 HydrophobicContact CZ-SD 3.34Å; F119-M123 WeakPolarHBondContact CZ-SD 3.5Å; F119-M123 PolarHBondContact O-N 3.37Å; F119-M123 VanDerWaalsContact O-N 3.07Å; M120-M123 HydrophobicContact CE-CE 4.46Å; M120-M123 PolarHBondContact O-N 3.47Å; M120-M123 HydrophobicContact SD-CE 4.01Å; M123-C126 PolarHBondContact O-N 3.26Å; M123-C126 VanDerWaalsContact O-N 3.16Å; M123-S127 PolarHBondContact O-N 3.39Å; M123-S127 VanDerWaalsContact O-N 3.1Å; M123-L138 HydrophobicContact CB-CD1 4.12Å; M123-L138 HydrophobicContact CG-CD1 3.95Å; M123-L141 HydrophobicContact CG-CD2 4.3Å; M123-L142 HydrophobicContact CE-CD2 3.54Å; M123-L142 HydrophobicContact CE-CG 4.33Å; M123-I309 HydrophobicContact CE-CG1 4.47Å; M123-L312 HydrophobicContact CB-CD1 4.47Å; M123-L312 HydrophobicContact CE-CD1 3.75Å |
| 124 | H | 79.3 | Confident | 78.9 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 7% | 0.069 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.3 | -36.7 | 176 | -175.3 | -64 | 0 | 0 | 0 | 112.1 | M120 C126 S127 L128 W253 D307 | M120-H124 WeakPolarHBondContact O-CB 3.18Å; M120-H124 PolarHBondContact O-N 2.99Å; H124-C126 VanDerWaalsContact C-N 3.29Å; H124-C126 PolarHBondContact O-N 3.38Å; H124-S127 PolarHBondContact O-OG 3.38Å; H124-L128 WeakPolarHBondContact O-CG 3.36Å; H124-W253 AromaticContact CE1-CZ3 3.5Å; H124-W253 VanDerWaalsContact CE1-CZ3 3.5Å; H124-W253 WeakPolarHBondContact CE1-CZ3 3.24Å; H124-W253 AromaticContact ND1-CZ3 4Å; H124-W253 AromaticContact NE2-CZ3 3.66Å; H124-D307 IonicContact CD2-OD2 3.19Å; H124-D307 IonicContact NE2-OD2 2.86Å |
| 125 | H | 79.5 | Confident | 79.7 | Confident | 42 Ų | 42 | 35.8 Ų | 35.8 | 19% | 0.194 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.5 | -30.9 | 173.3 | -170.8 | 84.1 | 0 | 0 | 0 | 112.3 | F76 A121 T122 | F76-H125 HydrophobicContact CE2-CB 4.27Å; A121-H125 WeakPolarHBondContact O-CB 3.31Å; A121-H125 PolarHBondContact O-N 2.82Å; T122-H125 PolarHBondContact O-N 3.28Å |
| 126 | C | 81.6 | Confident | 80 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -78.4 | -24.3 | 178.9 | -72.3 | 0 | 0 | 0 | 0 | 114.4 | L95 T122 M123 H124 L128 S130 V134 L138 | L95-C126 HydrophobicContact CD1-CB 4.07Å; L95-C126 HydrophobicContact CD2-CB 4.28Å; T122-C126 WeakPolarHBondContact O-CB 3.24Å; T122-C126 PolarHBondContact O-N 3.13Å; T122-C126 PolarHBondContact O-SG 2.87Å; M123-C126 PolarHBondContact O-N 3.26Å; M123-C126 VanDerWaalsContact O-N 3.16Å; H124-C126 VanDerWaalsContact C-N 3.29Å; H124-C126 PolarHBondContact O-N 3.38Å; C126-L128 VanDerWaalsContact C-N 3.33Å; C126-S130 VanDerWaalsContact O-CB 3.28Å; C126-S130 WeakPolarHBondContact O-CB 3.42Å; C126-S130 PolarHBondContact O-OG 2.73Å; C126-V134 HydrophobicContact CB-CG1 3.98Å; C126-L138 HydrophobicContact CB-CD1 4.23Å; C126-L138 HydrophobicContact CB-CD2 4.19Å |
| 127 | S | 79.1 | Confident | 80.5 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 20% | 0.203 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.1 | -27.8 | 173.4 | 63 | 0 | 0 | 0 | 0 | 112.4 | M123 H124 R129 | M123-S127 PolarHBondContact O-N 3.39Å; M123-S127 VanDerWaalsContact O-N 3.1Å; H124-S127 PolarHBondContact O-OG 3.38Å; S127-R129 PolarHBondContact O-N 2.82Å; S127-R129 VanDerWaalsContact O-N 3.14Å |
| 128 | L | 72.7 | Confident | 81.3 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 38% | 0.377 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -75 | 100.7 | -177.2 | -66.7 | 173.4 | 0 | 0 | 0 | 112.9 | H124 C126 S130 | H124-L128 WeakPolarHBondContact O-CG 3.36Å; C126-L128 VanDerWaalsContact C-N 3.33Å; L128-S130 VanDerWaalsContact C-N 3.28Å; L128-S130 PolarHBondContact O-N 2.96Å |
| 129 | R | 65.5 | Low | 81.7 | Confident | 254 Ų | 254 | 40.4 Ų | 40.4 | 96% | 0.958 | 19% | 0.194 | S | C | * | . | S | Bend | trans | 56.4 | 30.7 | 168.5 | -64.3 | 179.8 | 170.1 | 164.8 | -3.4 | 115.4 | S127 | S127-R129 PolarHBondContact O-N 2.82Å; S127-R129 VanDerWaalsContact O-N 3.14Å |
| 130 | S | 79.5 | Confident | 81.9 | Confident | 14 Ų | 14 | 46.6 Ų | 46.6 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | trans | -84.7 | 164.7 | 177.8 | -49.3 | 0 | 0 | 0 | 0 | 113 | E88 K91 C126 L128 V134 | E88-S130 WeakPolarHBondContact OE2-CA 3.32Å; E88-S130 WeakPolarHBondContact OE2-CB 3.23Å; K91-S130 PolarHBondContact NZ-OG 3.4Å; C126-S130 VanDerWaalsContact O-CB 3.28Å; C126-S130 WeakPolarHBondContact O-CB 3.42Å; C126-S130 PolarHBondContact O-OG 2.73Å; L128-S130 VanDerWaalsContact C-N 3.28Å; L128-S130 PolarHBondContact O-N 2.96Å; S130-V134 VanDerWaalsContact CB-CG1 3.47Å | ||
| 131 | C | 83.5 | Confident | 82.4 | Confident | 51 Ų | 51 | 46.6 Ų | 46.6 | 35% | 0.345 | 22% | 0.217 | S | C | . | . | trans | -80.3 | 162.1 | 179.8 | 73 | 0 | 0 | 0 | 0 | 113.2 | E88 L133 V134 E135 | E88-C131 PolarHBondContact OE2-N 3.47Å; E88-C131 PolarHBondContact OE2-SG 3.09Å; C131-L133 PolarHBondContact O-N 3.4Å; C131-V134 WeakPolarHBondContact O-CA 3.45Å; C131-V134 WeakPolarHBondContact O-CB 3.47Å; C131-V134 PolarHBondContact O-N 2.72Å; C131-E135 WeakPolarHBondContact O-CG 3.45Å; C131-E135 PolarHBondContact O-N 2.94Å | ||
| 132 | L | 83.7 | Confident | 82.9 | Confident | 84 Ų | 84 | 45.9 Ų | 45.9 | 44% | 0.44 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -53 | -25.2 | -178 | -174.3 | 63.5 | 0 | 0 | 0 | 114.8 | E135 R136 L323 | L132-E135 WeakPolarHBondContact CA-OE2 3.33Å; L132-R136 HydrophobicContact CD1-CG 4.46Å; L132-R136 WeakPolarHBondContact O-CB 3.41Å; L132-R136 WeakPolarHBondContact O-CD 3.24Å; L132-R136 WeakPolarHBondContact O-CG 3.37Å; L132-R136 PolarHBondContact O-N 3.38Å; L132-L323 HydrophobicContact CD1-CD2 3.94Å |
| 133 | L | 84.4 | Confident | 83.2 | Confident | 115 Ų | 115 | 47 Ų | 47 | 60% | 0.602 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -73.6 | -39.9 | 174.6 | -63.2 | 178.9 | 0 | 0 | 0 | 112.2 | V92 C131 A137 | V92-L133 HydrophobicContact CG2-CB 3.81Å; C131-L133 PolarHBondContact O-N 3.4Å; L133-A137 PolarHBondContact O-N 3.1Å; L133-A137 VanDerWaalsContact O-N 3.16Å |
| 134 | V | 86.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.6 | -46.3 | 172.8 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | E88 K91 V92 L95 C126 S130 C131 R136 A137 L138 | E88-V134 VanDerWaalsContact OE2-CG2 3.28Å; E88-V134 WeakPolarHBondContact OE2-CG2 3.27Å; K91-V134 HydrophobicContact CB-CG1 4.04Å; K91-V134 HydrophobicContact CB-CG2 3.64Å; K91-V134 HydrophobicContact CD-CG1 4.15Å; K91-V134 HydrophobicContact CD-CG2 4.12Å; V92-V134 HydrophobicContact CG2-CB 4.38Å; V92-V134 HydrophobicContact CG2-CG2 3.62Å; L95-V134 HydrophobicContact CD1-CG1 3.71Å; C126-V134 HydrophobicContact CB-CG1 3.98Å; S130-V134 VanDerWaalsContact CB-CG1 3.47Å; C131-V134 WeakPolarHBondContact O-CA 3.45Å; C131-V134 WeakPolarHBondContact O-CB 3.47Å; C131-V134 PolarHBondContact O-N 2.72Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 3.37Å; V134-A137 CarbonylContact O-C 3.39Å; V134-A137 WeakPolarHBondContact O-CA 3.44Å; V134-A137 WeakPolarHBondContact O-CB 3.29Å; V134-A137 PolarHBondContact O-N 3.39Å; V134-L138 WeakPolarHBondContact O-CB 3.5Å; V134-L138 PolarHBondContact O-N 2.87Å |
| 135 | E | 87.2 | Confident | 83.5 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.9 | -42.9 | 178.8 | -62.1 | -178 | 124.2 | 0 | 0 | 112 | C131 L132 L138 V139 Y316 R319 | C131-E135 WeakPolarHBondContact O-CG 3.45Å; C131-E135 PolarHBondContact O-N 2.94Å; L132-E135 WeakPolarHBondContact CA-OE2 3.33Å; E135-L138 PolarHBondContact O-N 2.59Å; E135-V139 WeakPolarHBondContact O-CG2 3.34Å; E135-V139 PolarHBondContact O-N 2.56Å; E135-Y316 HydrophobicContact CB-CE1 3.87Å; E135-Y316 HydrophobicContact CG-CE1 3.92Å; E135-Y316 WeakPolarHBondContact OE1-CE1 3.22Å; E135-R319 IonicContact OE1-CZ 3.76Å; E135-R319 VanDerWaalsContact OE1-CZ 3.24Å; E135-R319 IonicContact OE1-NH1 2.76Å; E135-R319 PolarHBondContact OE1-NH1 2.78Å; E135-R319 IonicContact OE1-NH2 3.97Å; E135-R319 PolarHBondContact OE1-NH2 3.26Å; E135-R319 IonicContact OE2-CZ 2.83Å; E135-R319 IonicContact OE2-NH1 3.38Å; E135-R319 PolarHBondContact OE2-NH1 2.75Å; E135-R319 IonicContact OE2-NH2 3.64Å |
| 136 | R | 87 | Confident | 83.6 | Confident | 124 Ų | 124 | 45.6 Ų | 45.6 | 47% | 0.468 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65 | -35.3 | 174 | -76.8 | 172.1 | 175.2 | -168.4 | -3.2 | 113.2 | L132 V134 R140 L323 | L132-R136 HydrophobicContact CD1-CG 4.46Å; L132-R136 WeakPolarHBondContact O-CB 3.41Å; L132-R136 WeakPolarHBondContact O-CD 3.24Å; L132-R136 WeakPolarHBondContact O-CG 3.37Å; L132-R136 PolarHBondContact O-N 3.38Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 3.37Å; R136-R140 WeakPolarHBondContact O-CB 3.27Å; R136-R140 PolarHBondContact O-N 3.44Å; R136-L323 HydrophobicContact CG-CD1 4.01Å |
| 137 | A | 86.4 | Confident | 83.7 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.5 | -38.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L95 L133 V134 L141 | L95-A137 HydrophobicContact CB-CB 3.85Å; L95-A137 HydrophobicContact CD1-CB 3.85Å; L133-A137 PolarHBondContact O-N 3.1Å; L133-A137 VanDerWaalsContact O-N 3.16Å; V134-A137 CarbonylContact O-C 3.39Å; V134-A137 WeakPolarHBondContact O-CA 3.44Å; V134-A137 WeakPolarHBondContact O-CB 3.29Å; V134-A137 PolarHBondContact O-N 3.39Å; A137-L141 VanDerWaalsContact O-CB 3.27Å; A137-L141 WeakPolarHBondContact O-CB 3.23Å; A137-L141 PolarHBondContact O-N 3.17Å |
| 138 | L | 89.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.2 | -50.3 | -179.8 | -179.7 | 63.1 | 0 | 0 | 0 | 112 | L95 M123 C126 V134 E135 R140 L141 L142 | L95-L138 HydrophobicContact CD1-CB 4.07Å; L95-L138 HydrophobicContact CD2-CD1 3.99Å; M123-L138 HydrophobicContact CB-CD1 4.12Å; M123-L138 HydrophobicContact CG-CD1 3.95Å; C126-L138 HydrophobicContact CB-CD1 4.23Å; C126-L138 HydrophobicContact CB-CD2 4.19Å; V134-L138 WeakPolarHBondContact O-CB 3.5Å; V134-L138 PolarHBondContact O-N 2.87Å; E135-L138 PolarHBondContact O-N 2.59Å; L138-R140 VanDerWaalsContact C-N 3.31Å; L138-R140 PolarHBondContact O-N 3.22Å; L138-L141 PolarHBondContact O-N 3.17Å; L138-L142 HydrophobicContact CD1-CD1 4.31Å; L138-L142 HydrophobicContact CG-CD1 4.01Å; L138-L142 WeakPolarHBondContact O-CB 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.21Å; L138-L142 PolarHBondContact O-N 3.02Å |
| 139 | V | 87.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.6 | -35.7 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | E135 N143 Y316 L323 Q326 A327 | E135-V139 WeakPolarHBondContact O-CG2 3.34Å; E135-V139 PolarHBondContact O-N 2.56Å; V139-N143 PolarHBondContact O-N 2.59Å; V139-Y316 HydrophobicContact CG2-CD1 3.97Å; V139-Y316 HydrophobicContact CG2-CD2 3.54Å; V139-Y316 HydrophobicContact CG2-CE1 4.38Å; V139-Y316 HydrophobicContact CG2-CE2 3.98Å; V139-Y316 HydrophobicContact CG2-CG 3.53Å; V139-L323 HydrophobicContact CB-CD1 3.71Å; V139-L323 HydrophobicContact CG1-CD1 4.15Å; V139-L323 HydrophobicContact CG2-CD1 3.66Å; V139-Q326 HydrophobicContact CG1-CB 3.77Å; V139-A327 HydrophobicContact CG1-CB 4.08Å |
| 140 | R | 88.1 | Confident | 84.2 | Confident | 130 Ų | 130 | 32.2 Ų | 32.2 | 49% | 0.491 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.7 | -50 | 171.6 | 174.1 | -178.9 | 164 | 67.6 | 20.7 | 111.6 | D99 R136 L138 N143 T144 | D99-R140 IonicContact OD1-NH2 3.17Å; D99-R140 IonicContact OD2-CZ 2.77Å; D99-R140 IonicContact OD2-NE 2.68Å; D99-R140 PolarHBondContact OD2-NE 2.77Å; D99-R140 IonicContact OD2-NH2 3.45Å; D99-R140 PolarHBondContact OD2-NH2 3.24Å; R136-R140 WeakPolarHBondContact O-CB 3.27Å; R136-R140 PolarHBondContact O-N 3.44Å; L138-R140 VanDerWaalsContact C-N 3.31Å; L138-R140 PolarHBondContact O-N 3.22Å; R140-N143 PolarHBondContact O-N 3.06Å; R140-T144 PolarHBondContact O-N 3.29Å; R140-T144 PolarHBondContact O-OG1 3.44Å |
| 141 | L | 88.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 178.8 | 173.7 | 64 | 0 | 0 | 0 | 111.8 | L95 D99 I102 F119 M123 A137 L138 N143 T144 V145 | L95-L141 HydrophobicContact CB-CD2 4.38Å; L95-L141 HydrophobicContact CD2-CD2 3.47Å; L95-L141 VanDerWaalsContact CD2-CD2 3.47Å; D99-L141 HydrophobicContact CB-CD1 4.01Å; I102-L141 HydrophobicContact CD1-CD1 4.29Å; F119-L141 HydrophobicContact CE2-CD1 4.1Å; F119-L141 HydrophobicContact CE2-CD2 3.92Å; F119-L141 HydrophobicContact CE2-CG 4.26Å; F119-L141 HydrophobicContact CZ-CD1 4.26Å; F119-L141 HydrophobicContact CZ-CD2 4.35Å; F119-L141 HydrophobicContact CZ-CG 4.31Å; M123-L141 HydrophobicContact CG-CD2 4.3Å; A137-L141 VanDerWaalsContact O-CB 3.27Å; A137-L141 WeakPolarHBondContact O-CB 3.23Å; A137-L141 PolarHBondContact O-N 3.17Å; L138-L141 PolarHBondContact O-N 3.17Å; L141-N143 VanDerWaalsContact C-N 3.31Å; L141-N143 PolarHBondContact O-N 3.04Å; L141-T144 WeakPolarHBondContact O-CB 3.35Å; L141-T144 PolarHBondContact O-N 3.06Å; L141-V145 WeakPolarHBondContact O-CG2 3.19Å; L141-V145 PolarHBondContact O-N 2.91Å |
| 142 | L | 87.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.1 | -44.7 | 172.1 | -80.4 | 161.8 | 0 | 0 | 0 | 111.3 | M123 L138 V145 C146 I309 L313 | M123-L142 HydrophobicContact CE-CD2 3.54Å; M123-L142 HydrophobicContact CE-CG 4.33Å; L138-L142 HydrophobicContact CD1-CD1 4.31Å; L138-L142 HydrophobicContact CG-CD1 4.01Å; L138-L142 WeakPolarHBondContact O-CB 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.21Å; L138-L142 PolarHBondContact O-N 3.02Å; L142-V145 PolarHBondContact O-N 3.26Å; L142-C146 PolarHBondContact O-N 3.48Å; L142-C146 PolarHBondContact O-SG 2.76Å; L142-I309 HydrophobicContact CD2-CG2 4.01Å; L142-L313 HydrophobicContact CB-CD2 4.08Å; L142-L313 HydrophobicContact CD1-CD2 3.95Å; L142-L313 HydrophobicContact CD1-CG 4.22Å |
| 143 | N | 86.9 | Confident | 81.5 | Confident | 23 Ų | 23 | 32.8 Ų | 32.8 | 12% | 0.123 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 177.1 | -158.4 | 19.9 | 0 | 0 | 0 | 112.1 | V139 R140 L141 V145 C146 A147 D329 S330 L333 | V139-N143 PolarHBondContact O-N 2.59Å; R140-N143 PolarHBondContact O-N 3.06Å; L141-N143 VanDerWaalsContact C-N 3.31Å; L141-N143 PolarHBondContact O-N 3.04Å; N143-V145 VanDerWaalsContact C-N 3.31Å; N143-V145 PolarHBondContact O-N 3.4Å; N143-C146 PolarHBondContact O-N 3.33Å; N143-A147 VanDerWaalsContact O-CB 3.31Å; N143-A147 WeakPolarHBondContact O-CB 3.11Å; N143-A147 PolarHBondContact O-N 2.86Å; N143-D329 PolarHBondContact ND2-OD2 3.37Å; N143-S330 WeakPolarHBondContact CA-OG 3.17Å; N143-S330 VanDerWaalsContact CB-OG 3.25Å; N143-S330 WeakPolarHBondContact CB-OG 3.47Å; N143-S330 WeakPolarHBondContact OD1-CA 3.36Å; N143-S330 PolarHBondContact OD1-N 3.38Å; N143-S330 PolarHBondContact OD1-OG 3.21Å; N143-L333 VanDerWaalsContact OD1-CD1 3.26Å; N143-L333 WeakPolarHBondContact OD1-CD1 3.46Å |
| 144 | T | 85.8 | Confident | 80 | Confident | 26 Ų | 26 | 32.9 Ų | 32.9 | 16% | 0.16 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57 | -43.9 | 172.8 | -57 | 0 | 0 | 0 | 0 | 111.1 | D99 I102 R140 L141 I148 | D99-T144 WeakPolarHBondContact OD1-CB 3.29Å; D99-T144 PolarHBondContact OD1-OG1 2.72Å; I102-T144 HydrophobicContact CG2-CG2 4.14Å; R140-T144 PolarHBondContact O-N 3.29Å; R140-T144 PolarHBondContact O-OG1 3.44Å; L141-T144 WeakPolarHBondContact O-CB 3.35Å; L141-T144 PolarHBondContact O-N 3.06Å; T144-I148 HydrophobicContact CG2-CD1 4Å; T144-I148 WeakPolarHBondContact O-CD1 3.46Å; T144-I148 WeakPolarHBondContact O-CG1 3.43Å; T144-I148 PolarHBondContact O-N 3.24Å; T144-I148 VanDerWaalsContact O-N 3.11Å |
| 145 | V | 84.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.5 | -47.3 | 175.3 | 168.4 | 0 | 0 | 0 | 0 | 112.1 | I102 F119 L141 L142 N143 A147 I148 L149 F191 I309 | I102-V145 HydrophobicContact CD1-CG2 4.31Å; I102-V145 HydrophobicContact CG2-CG2 4.22Å; F119-V145 HydrophobicContact CE1-CG2 4.15Å; F119-V145 HydrophobicContact CZ-CG2 3.8Å; L141-V145 WeakPolarHBondContact O-CG2 3.19Å; L141-V145 PolarHBondContact O-N 2.91Å; L142-V145 PolarHBondContact O-N 3.26Å; N143-V145 VanDerWaalsContact C-N 3.31Å; N143-V145 PolarHBondContact O-N 3.4Å; V145-A147 VanDerWaalsContact C-N 3.33Å; V145-A147 PolarHBondContact O-N 3.39Å; V145-I148 PolarHBondContact O-N 3.3Å; V145-L149 HydrophobicContact CG1-CD1 4.2Å; V145-L149 PolarHBondContact O-N 3.06Å; V145-F191 HydrophobicContact CG1-CE1 4.33Å; V145-F191 HydrophobicContact CG1-CZ 3.76Å; V145-I309 HydrophobicContact CG1-CD1 4.12Å |
| 146 | C | 82.3 | Confident | 74.9 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 179.8 | -64.1 | 0 | 0 | 0 | 0 | 112 | L142 N143 S150 L333 I334 | L142-C146 PolarHBondContact O-N 3.48Å; L142-C146 PolarHBondContact O-SG 2.76Å; N143-C146 PolarHBondContact O-N 3.33Å; C146-S150 WeakPolarHBondContact O-CB 3.42Å; C146-S150 PolarHBondContact O-N 3.34Å; C146-L333 HydrophobicContact CB-CB 4.05Å; C146-L333 HydrophobicContact CB-CD1 4.33Å; C146-I334 HydrophobicContact CB-CG1 4.41Å |
| 147 | A | 83.4 | Confident | 72.2 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 31% | 0.314 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N143 V145 S150 T151 L333 | N143-A147 VanDerWaalsContact O-CB 3.31Å; N143-A147 WeakPolarHBondContact O-CB 3.11Å; N143-A147 PolarHBondContact O-N 2.86Å; V145-A147 VanDerWaalsContact C-N 3.33Å; V145-A147 PolarHBondContact O-N 3.39Å; A147-S150 CarbonylContact O-C 3.51Å; A147-S150 WeakPolarHBondContact O-CB 3.47Å; A147-S150 PolarHBondContact O-N 3.15Å; A147-T151 WeakPolarHBondContact O-CG2 3.32Å; A147-T151 PolarHBondContact O-N 3.08Å; A147-T151 PolarHBondContact O-OG1 3.45Å; A147-L333 HydrophobicContact CB-CD1 4.12Å |
| 148 | I | 77.4 | Confident | 69.6 | Low | 19 Ų | 19 | 55.4 Ų | 55.4 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67 | -48.2 | 179.4 | -74.8 | 162.8 | 0 | 0 | 0 | 111.5 | I102 L110 T144 V145 S150 T151 Q152 | I102-I148 HydrophobicContact CG2-CD1 3.37Å; I102-I148 WeakPolarHBondContact O-CD1 3.39Å; L110-I148 HydrophobicContact CD1-CG2 4.19Å; T144-I148 HydrophobicContact CG2-CD1 4Å; T144-I148 WeakPolarHBondContact O-CD1 3.46Å; T144-I148 WeakPolarHBondContact O-CG1 3.43Å; T144-I148 PolarHBondContact O-N 3.24Å; T144-I148 VanDerWaalsContact O-N 3.11Å; V145-I148 PolarHBondContact O-N 3.3Å; I148-S150 PolarHBondContact O-N 3.07Å; I148-T151 WeakPolarHBondContact CA-OG1 3.39Å; I148-T151 PolarHBondContact O-N 3.01Å; I148-T151 PolarHBondContact O-OG1 3.33Å; I148-Q152 HydrophobicContact CG2-CG 4.38Å; I148-Q152 VanDerWaalsContact CG2-NE2 3.35Å; I148-Q152 WeakPolarHBondContact O-CG 3.3Å; I148-Q152 PolarHBondContact O-N 3.26Å |
| 149 | L | 75.2 | Confident | 66.7 | Low | 9 Ų | 9 | 64.2 Ų | 64.2 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -52.4 | -43.9 | 171.1 | -77.3 | 167.7 | 0 | 0 | 0 | 111.5 | V145 T151 F191 Y337 | V145-L149 HydrophobicContact CG1-CD1 4.2Å; V145-L149 PolarHBondContact O-N 3.06Å; L149-T151 VanDerWaalsContact C-N 3.32Å; L149-T151 PolarHBondContact O-N 2.97Å; L149-F191 HydrophobicContact CD1-CE1 4.1Å; L149-F191 HydrophobicContact CD2-CD1 4.04Å; L149-F191 HydrophobicContact CD2-CE1 3.79Å; L149-F191 HydrophobicContact CG-CE1 4.03Å; L149-Y337 HydrophobicContact CB-CD2 4.09Å; L149-Y337 HydrophobicContact CB-CE2 4.21Å; L149-Y337 HydrophobicContact CD2-CE2 4.39Å; L149-Y337 WeakPolarHBondContact O-CD2 3.35Å |
| 150 | S | 74.2 | Confident | 63.8 | Low | 9 Ų | 9 | 69 Ų | 69 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.5 | -24.5 | 176.5 | -166.9 | 0 | 0 | 0 | 0 | 113.9 | C146 A147 I148 K154 | C146-S150 WeakPolarHBondContact O-CB 3.42Å; C146-S150 PolarHBondContact O-N 3.34Å; A147-S150 CarbonylContact O-C 3.51Å; A147-S150 WeakPolarHBondContact O-CB 3.47Å; A147-S150 PolarHBondContact O-N 3.15Å; I148-S150 PolarHBondContact O-N 3.07Å; S150-K154 WeakPolarHBondContact O-CE 3.41Å |
| 151 | T | 73.4 | Confident | 61 | Low | 68 Ų | 68 | 70 Ų | 70 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -86 | -35.8 | 176.2 | 48.2 | 0 | 0 | 0 | 0 | 114.8 | A147 I148 L149 F153 K154 | A147-T151 WeakPolarHBondContact O-CG2 3.32Å; A147-T151 PolarHBondContact O-N 3.08Å; A147-T151 PolarHBondContact O-OG1 3.45Å; I148-T151 WeakPolarHBondContact CA-OG1 3.39Å; I148-T151 PolarHBondContact O-N 3.01Å; I148-T151 PolarHBondContact O-OG1 3.33Å; L149-T151 VanDerWaalsContact C-N 3.32Å; L149-T151 PolarHBondContact O-N 2.97Å; T151-F153 PolarHBondContact O-N 2.99Å; T151-F153 VanDerWaalsContact O-N 3.12Å; T151-K154 HydrophobicContact CG2-CD 4.37Å; T151-K154 WeakPolarHBondContact O-CB 3.46Å; T151-K154 PolarHBondContact O-N 2.97Å |
| 152 | Q | 61.6 | Low | 58.2 | Low | 37 Ų | 37 | 75 Ų | 75 | 17% | 0.173 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -55.6 | -33.9 | -175.7 | -76.3 | 166.4 | -9.1 | 0 | 0 | 112.7 | D107 I148 K154 | D107-Q152 VanDerWaalsContact OD1-CG 3.29Å; D107-Q152 WeakPolarHBondContact OD1-CG 3.18Å; D107-Q152 PolarHBondContact OD1-NE2 3.31Å; I148-Q152 HydrophobicContact CG2-CG 4.38Å; I148-Q152 VanDerWaalsContact CG2-NE2 3.35Å; I148-Q152 WeakPolarHBondContact O-CG 3.3Å; I148-Q152 PolarHBondContact O-N 3.26Å; Q152-K154 PolarHBondContact O-N 3.46Å |
| 153 | F | 56.2 | Low | 55.5 | Low | 56 Ų | 56 | 82.8 Ų | 82.8 | 25% | 0.246 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 8.7 | 179.1 | -85.2 | -90.1 | 0 | 0 | 0 | 116 | T151 H155 Y337 R340 | T151-F153 PolarHBondContact O-N 2.99Å; T151-F153 VanDerWaalsContact O-N 3.12Å; F153-H155 PolarHBondContact O-N 3.29Å; F153-Y337 HydrophobicContact CD2-CD2 4.41Å; F153-Y337 AromaticContact CD2-CE2 3.61Å; F153-Y337 HydrophobicContact CD2-CE2 3.61Å; F153-Y337 AromaticContact CE2-CE2 3.64Å; F153-Y337 HydrophobicContact CE2-CE2 3.64Å; F153-Y337 AromaticContact CE2-CZ 3.87Å; F153-Y337 WeakPolarHBondContact CE2-OH 3.41Å; F153-R340 PolarHBondContact O-NH1 3.1Å |
| 154 | K | 51.2 | Low | 52.8 | Low | 117 Ų | 117 | 86.1 Ų | 86.1 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 8.6 | -177 | -69.8 | 177.5 | 179.9 | 153.2 | 0 | 114.4 | S150 T151 Q152 | S150-K154 WeakPolarHBondContact O-CE 3.41Å; T151-K154 HydrophobicContact CG2-CD 4.37Å; T151-K154 WeakPolarHBondContact O-CB 3.46Å; T151-K154 PolarHBondContact O-N 2.97Å; Q152-K154 PolarHBondContact O-N 3.46Å |
| 155 | H | 36.1 | Very low | 50.1 | Low | 177 Ų | 177 | 90 Ų | 90 | 82% | 0.819 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 10.2 | -166.7 | -138.9 | -62.2 | 0 | 0 | 0 | 117 | F153 | F153-H155 PolarHBondContact O-N 3.29Š|
| 156 | E | 31.4 | Very low | 47.4 | Very low | 196 Ų | 196 | 95 Ų | 95 | 92% | 0.916 | 52% | 0.523 | S | S | * | . | trans | -110 | 78.6 | 164.5 | -69.6 | -163.5 | 146 | 0 | 0 | 110.8 | ||||
| 157 | L | 30.4 | Very low | 44.9 | Very low | 147 Ų | 147 | 99.7 Ų | 99.7 | 77% | 0.77 | 56% | 0.556 | S | S | * | * | trans | -115.5 | 104.1 | 167.9 | -94.4 | 168.8 | 0 | 0 | 0 | 109.6 | ||||
| 158 | V | 30.7 | Very low | 42 | Very low | 111 Ų | 111 | 104 Ų | 104 | 67% | 0.673 | 58% | 0.578 | S | S | * | * | trans | 34.1 | 90.7 | 149.6 | -170.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 159 | Q | 29.8 | Very low | 39.7 | Very low | 184 Ų | 184 | 109.5 Ų | 109.5 | 86% | 0.86 | 61% | 0.613 | S | S | * | * | trans | -82.7 | 112 | 148.3 | -77.8 | -168 | -12.6 | 0 | 0 | 108.4 | N161 | Q159-N161 PolarHBondContact O-N 3.38Š| ||
| 160 | D | 26.3 | Very low | 37.5 | Very low | 100 Ų | 100 | 114.5 Ų | 114.5 | 54% | 0.535 | 65% | 0.649 | S | S | . | * | trans | -58.9 | 120.1 | 171.7 | -71 | -74.8 | 0 | 0 | 0 | 110.8 | ||||
| 161 | N | 29.8 | Very low | 35 | Very low | 153 Ų | 153 | 119.8 Ų | 119.8 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | -128.8 | 99 | 160.3 | -99.2 | -48.9 | 0 | 0 | 0 | 109.1 | Q159 | Q159-N161 PolarHBondContact O-N 3.38Š| ||
| 162 | S | 27.6 | Very low | 32.8 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | trans | -87.9 | 109.2 | -174.5 | 42.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 163 | L | 31.9 | Very low | 31.2 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | trans | -146.3 | 85.8 | 168.9 | -103.2 | 151 | 0 | 0 | 0 | 111.7 | ||||
| 164 | S | 30.2 | Very low | 29.8 | Very low | 93 Ų | 93 | 131 Ų | 131 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | 18.9 | 128.9 | 146.1 | 57 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 165 | S | 28.9 | Very low | 28.6 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 62.6 | 145.2 | 144.1 | 46.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 166 | S | 27.2 | Very low | 28 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | cis | -167.3 | -173.2 | -8.3 | 47.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 167 | S | 29.4 | Very low | 27.9 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | 61.2 | 95.9 | 157.9 | 39.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 168 | T | 23.4 | Very low | 27.8 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -26.6 | 135.4 | 148.9 | 48.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 169 | T | 28.3 | Very low | 27.5 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | -175.3 | 153.8 | 120 | 18.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 170 | S | 28.9 | Very low | 27.4 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | 49.3 | 119.1 | 157.5 | 56 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 171 | C | 21.9 | Very low | 27.5 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -61.1 | 165.5 | 149.5 | -47.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 172 | P | 28 | Very low | 27.6 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | -141 | -175.1 | 52.8 | 40.7 | -19 | 0 | 0 | 0 | 114.5 | |||||
| 173 | P | 26.7 | Very low | 27.8 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | trans | -97.6 | 162.7 | -163.1 | 37.9 | -34.7 | 0 | 0 | 0 | 115.1 | ||||
| 174 | L | 27.9 | Very low | 28 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | -179.3 | 132.1 | 141.6 | -101.7 | 162.3 | 0 | 0 | 0 | 113.7 | ||||
| 175 | H | 24.9 | Very low | 28.5 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 60% | 0.597 | 75% | 0.75 | S | S | * | * | trans | 34.5 | 138 | 149.5 | -96.5 | -107.2 | 0 | 0 | 0 | 124.5 | ||||
| 176 | H | 25.2 | Very low | 29.4 | Very low | 165 Ų | 165 | 135 Ų | 135 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | 67.1 | 101.1 | 154.1 | -62.7 | -57.8 | 0 | 0 | 0 | 120.8 | ||||
| 177 | K | 29.1 | Very low | 30.5 | Very low | 183 Ų | 183 | 133 Ų | 133 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | -164.9 | 121.4 | 116.7 | -105.4 | 175.2 | 176.3 | 178 | 0 | 111 | |||||
| 178 | Q | 27.1 | Very low | 31.9 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | 62.6 | 96.1 | 103.9 | -67.5 | -175.2 | -48.2 | 0 | 0 | 113.6 | |||||
| 179 | H | 25.8 | Very low | 33.7 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 82% | 0.815 | 68% | 0.682 | S | S | * | * | 73.2 | 104.9 | 89.2 | -93.6 | -81.2 | 0 | 0 | 0 | 114.5 | |||||
| 180 | N | 27 | Very low | 35.2 | Very low | 141 Ų | 141 | 123.5 Ų | 123.5 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | -172.8 | -24.3 | 122.6 | -98.6 | -19.6 | 0 | 0 | 0 | 116.3 | N182 | N180-N182 PolarHBondContact O-N 3.34Š| |||
| 181 | D | 28.2 | Very low | 36.9 | Very low | 155 Ų | 155 | 118.1 Ų | 118.1 | 83% | 0.829 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -88.2 | -3.2 | -160 | -57.4 | -52 | 0 | 0 | 0 | 117.3 | K183 | D181-K183 VanDerWaalsContact C-N 3.31Å; D181-K183 PolarHBondContact O-N 3.3Å; D181-K183 VanDerWaalsContact O-N 3.13Å |
| 182 | N | 32.6 | Very low | 39.1 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 60% | 0.599 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -67.8 | -15.1 | -167.8 | -73.3 | 27.3 | 0 | 0 | 0 | 117.2 | N180 N184 N185 | N180-N182 PolarHBondContact O-N 3.34Å; N182-N184 PolarHBondContact O-N 3.09Å; N182-N185 PolarHBondContact O-N 2.88Å |
| 183 | K | 32.1 | Very low | 40.7 | Very low | 178 Ų | 178 | 112.8 Ų | 112.8 | 77% | 0.774 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -59.7 | -15 | -158.1 | -90.7 | -172.8 | 173.2 | -178.1 | 0 | 118.2 | D181 | D181-K183 VanDerWaalsContact C-N 3.31Å; D181-K183 PolarHBondContact O-N 3.3Å; D181-K183 VanDerWaalsContact O-N 3.13Å |
| 184 | N | 34.7 | Very low | 42.3 | Very low | 150 Ų | 150 | 107.3 Ų | 107.3 | 80% | 0.802 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -92.9 | -17.4 | 175.7 | -73.8 | -4.5 | 0 | 0 | 0 | 113.5 | N182 | N182-N184 PolarHBondContact O-N 3.09Š|
| 185 | N | 40.6 | Very low | 44.1 | Very low | 99 Ų | 99 | 100 Ų | 100 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -29.4 | -178.7 | -74.9 | -30.8 | 0 | 0 | 0 | 112.6 | N182 A187 | N182-N185 PolarHBondContact O-N 2.88Å; N185-A187 VanDerWaalsContact C-N 3.32Å; N185-A187 PolarHBondContact O-N 2.99Å |
| 186 | D | 49.2 | Very low | 45.7 | Very low | 95 Ų | 95 | 94.5 Ų | 94.5 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -62.6 | -35 | -175.6 | -54.8 | -36.3 | 0 | 0 | 0 | 112.9 | L188 H189 | D186-L188 VanDerWaalsContact C-N 3.26Å; D186-L188 PolarHBondContact O-N 3.27Å; D186-L188 VanDerWaalsContact O-N 3.13Å; D186-H189 VanDerWaalsContact O-CB 3.23Å; D186-H189 WeakPolarHBondContact O-CB 3.3Å; D186-H189 PolarHBondContact O-N 3.13Å |
| 187 | A | 50.8 | Low | 47.1 | Very low | 61 Ų | 61 | 87.5 Ų | 87.5 | 50% | 0.504 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -64.9 | -21 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N185 | N185-A187 VanDerWaalsContact C-N 3.32Å; N185-A187 PolarHBondContact O-N 2.99Å |
| 188 | L | 57.8 | Low | 48.2 | Very low | 24 Ų | 24 | 81.3 Ų | 81.3 | 13% | 0.126 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -108.5 | 1 | 177.5 | -69.6 | 168.1 | 0 | 0 | 0 | 112.8 | L110 D186 L190 F191 R192 | L110-L188 HydrophobicContact CB-CD2 4.21Å; D186-L188 VanDerWaalsContact C-N 3.26Å; D186-L188 PolarHBondContact O-N 3.27Å; D186-L188 VanDerWaalsContact O-N 3.13Å; L188-L190 PolarHBondContact O-N 3.06Å; L188-F191 PolarHBondContact O-N 2.89Å; L188-R192 WeakPolarHBondContact O-CG 3.49Å; L188-R192 PolarHBondContact O-N 2.9Å |
| 189 | H | 61.7 | Low | 49.2 | Very low | 86 Ų | 86 | 74.7 Ų | 74.7 | 40% | 0.398 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | -177.6 | -179.5 | -132.9 | 0 | 0 | 0 | 112 | D186 R192 R193 | D186-H189 VanDerWaalsContact O-CB 3.23Å; D186-H189 WeakPolarHBondContact O-CB 3.3Å; D186-H189 PolarHBondContact O-N 3.13Å; H189-R192 PolarHBondContact O-N 3.23Å; H189-R193 WeakPolarHBondContact O-CB 3.36Å; H189-R193 WeakPolarHBondContact O-CG 3.47Å; H189-R193 PolarHBondContact O-N 2.91Å |
| 190 | L | 58.4 | Low | 49.9 | Very low | 55 Ų | 55 | 70.1 Ų | 70.1 | 29% | 0.288 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.1 | 179.9 | 134.6 | 0 | 0 | 0 | 112 | E113 L188 R193 L194 | E113-L190 HydrophobicContact CB-CD2 4.04Å; E113-L190 HydrophobicContact CG-CD1 4.1Å; E113-L190 HydrophobicContact CG-CD2 3.96Å; E113-L190 WeakPolarHBondContact OE1-CD1 3.43Å; L188-L190 PolarHBondContact O-N 3.06Å; L190-R193 PolarHBondContact O-N 3.35Å; L190-L194 HydrophobicContact CD2-CD1 3.66Å; L190-L194 HydrophobicContact CG-CD1 4.22Å; L190-L194 WeakPolarHBondContact O-CG 3.49Å; L190-L194 PolarHBondContact O-N 3.48Å |
| 191 | F | 65.7 | Low | 50.7 | Low | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 176.3 | -178.7 | -126.6 | 0 | 0 | 0 | 111.1 | L110 V116 V145 L149 L188 R193 L194 C195 | L110-F191 HydrophobicContact CB-CD1 4.2Å; L110-F191 HydrophobicContact CB-CE1 4.4Å; L110-F191 HydrophobicContact CB-CG 4.42Å; L110-F191 HydrophobicContact CD1-CD1 4.38Å; L110-F191 HydrophobicContact CD1-CE1 3.81Å; L110-F191 HydrophobicContact CD1-CZ 4.11Å; L110-F191 HydrophobicContact CD2-CD2 4.32Å; L110-F191 HydrophobicContact CD2-CE1 4.16Å; L110-F191 HydrophobicContact CD2-CE2 3.86Å; L110-F191 HydrophobicContact CD2-CZ 3.78Å; L110-F191 HydrophobicContact CG-CE1 4.35Å; L110-F191 HydrophobicContact CG-CZ 4.44Å; V116-F191 HydrophobicContact CG1-CD2 3.66Å; V116-F191 HydrophobicContact CG1-CE2 4.33Å; V116-F191 HydrophobicContact CG2-CD2 4.17Å; V145-F191 HydrophobicContact CG1-CE1 4.33Å; V145-F191 HydrophobicContact CG1-CZ 3.76Å; L149-F191 HydrophobicContact CD1-CE1 4.1Å; L149-F191 HydrophobicContact CD2-CD1 4.04Å; L149-F191 HydrophobicContact CD2-CE1 3.79Å; L149-F191 HydrophobicContact CG-CE1 4.03Å; L188-F191 PolarHBondContact O-N 2.89Å; F191-R193 PolarHBondContact O-N 3.46Å; F191-L194 PolarHBondContact O-N 3.05Å; F191-L194 VanDerWaalsContact O-N 3.15Å; F191-C195 VanDerWaalsContact CZ-SG 3.55Å; F191-C195 PolarHBondContact O-N 3.44Å; F191-C195 PolarHBondContact O-SG 3.38Å |
| 192 | R | 67.4 | Low | 50.9 | Low | 37 Ų | 37 | 59.9 Ų | 59.9 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 176.5 | -66 | 177.5 | -151.4 | 173.9 | 14.6 | 112.3 | L188 H189 L194 C195 M196 Y337 D341 | L188-R192 WeakPolarHBondContact O-CG 3.49Å; L188-R192 PolarHBondContact O-N 2.9Å; H189-R192 PolarHBondContact O-N 3.23Å; R192-L194 VanDerWaalsContact C-N 3.31Å; R192-L194 PolarHBondContact O-N 3.35Å; R192-C195 WeakPolarHBondContact O-CB 3.48Å; R192-C195 PolarHBondContact O-N 3.26Å; R192-M196 WeakPolarHBondContact O-CG 3.15Å; R192-M196 PolarHBondContact O-N 3.37Å; R192-Y337 WeakPolarHBondContact CD-OH 3.23Å; R192-Y337 PolarHBondContact NE-OH 3.19Å; R192-Y337 VanDerWaalsContact NE-OH 3.16Å; R192-D341 WeakPolarHBondContact CD-OD2 3.3Å; R192-D341 IonicContact CZ-OD2 2.83Å; R192-D341 IonicContact NE-OD2 2.66Å; R192-D341 IonicContact NH1-OD2 2.59Å; R192-D341 PolarHBondContact NH1-OD2 2.98Å |
| 193 | R | 61.4 | Low | 51.1 | Low | 92 Ų | 92 | 59 Ų | 59 | 35% | 0.347 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 177.3 | -75.1 | -175.4 | 61.4 | 177.3 | -1.3 | 112.5 | H189 L190 F191 M196 G197 V198 V199 | H189-R193 WeakPolarHBondContact O-CB 3.36Å; H189-R193 WeakPolarHBondContact O-CG 3.47Å; H189-R193 PolarHBondContact O-N 2.91Å; L190-R193 PolarHBondContact O-N 3.35Å; F191-R193 PolarHBondContact O-N 3.46Å; R193-M196 PolarHBondContact O-N 3.26Å; R193-G197 PolarHBondContact O-N 2.72Å; R193-V198 PolarHBondContact NE-O 3.38Å; R193-V198 PolarHBondContact NH2-O 3.45Å; R193-V198 VanDerWaalsContact NH2-O 3.11Å; R193-V198 PolarHBondContact O-N 3.01Å; R193-V199 HydrophobicContact CB-CG2 3.75Å |
| 194 | L | 61.8 | Low | 51.3 | Low | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 172.2 | -74.4 | 169.5 | 0 | 0 | 0 | 112.2 | V116 I117 L190 F191 R192 M196 G197 V199 I306 | V116-L194 HydrophobicContact CG1-CD1 3.53Å; I117-L194 HydrophobicContact CG1-CD1 4.41Å; L190-L194 HydrophobicContact CD2-CD1 3.66Å; L190-L194 HydrophobicContact CG-CD1 4.22Å; L190-L194 WeakPolarHBondContact O-CG 3.49Å; L190-L194 PolarHBondContact O-N 3.48Å; F191-L194 PolarHBondContact O-N 3.05Å; F191-L194 VanDerWaalsContact O-N 3.15Å; R192-L194 VanDerWaalsContact C-N 3.31Å; R192-L194 PolarHBondContact O-N 3.35Å; L194-M196 PolarHBondContact O-N 3.35Å; L194-M196 VanDerWaalsContact O-N 3.16Å; L194-G197 PolarHBondContact O-N 2.82Å; L194-V199 HydrophobicContact CD2-CB 3.88Å; L194-V199 HydrophobicContact CD2-CG1 3.92Å; L194-V199 HydrophobicContact CD2-CG2 3.83Å; L194-V199 HydrophobicContact CG-CG2 4.02Å; L194-I306 HydrophobicContact CD2-CD1 3.94Å |
| 195 | C | 64.9 | Low | 51.1 | Low | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.034 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.1 | -29.6 | 172.3 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | F191 R192 S308 I309 | F191-C195 VanDerWaalsContact CZ-SG 3.55Å; F191-C195 PolarHBondContact O-N 3.44Å; F191-C195 PolarHBondContact O-SG 3.38Å; R192-C195 WeakPolarHBondContact O-CB 3.48Å; R192-C195 PolarHBondContact O-N 3.26Å; C195-S308 WeakPolarHBondContact O-CA 3.29Å; C195-S308 WeakPolarHBondContact O-CB 3.12Å; C195-I309 HydrophobicContact CB-CD1 3.84Å; C195-I309 HydrophobicContact CB-CG1 4.21Å; C195-I309 PolarHBondContact O-N 2.88Å; C195-I309 WeakPolarHBondContact SG-CD1 3.41Å |
| 196 | M | 58.3 | Low | 50.6 | Low | 13 Ų | 13 | 46.6 Ų | 46.6 | 6% | 0.064 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -9.4 | 178.4 | -68.1 | -40 | -51.3 | 0 | 0 | 115.4 | R192 R193 L194 V198 F344 S347 I348 | R192-M196 WeakPolarHBondContact O-CG 3.15Å; R192-M196 PolarHBondContact O-N 3.37Å; R193-M196 PolarHBondContact O-N 3.26Å; L194-M196 PolarHBondContact O-N 3.35Å; L194-M196 VanDerWaalsContact O-N 3.16Å; M196-V198 HydrophobicContact CB-CB 4.33Å; M196-V198 HydrophobicContact CB-CG2 3.83Å; M196-V198 PolarHBondContact O-N 3.31Å; M196-F344 HydrophobicContact CG-CD2 3.95Å; M196-F344 HydrophobicContact CG-CE2 4.4Å; M196-F344 HydrophobicContact SD-CD2 3.34Å; M196-F344 WeakPolarHBondContact SD-CD2 3.19Å; M196-F344 HydrophobicContact SD-CE2 3.43Å; M196-F344 WeakPolarHBondContact SD-CE2 3.41Å; M196-F344 HydrophobicContact SD-CG 3.98Å; M196-F344 HydrophobicContact SD-CZ 4.15Å; M196-S347 VanDerWaalsContact CE-C 3.49Å; M196-I348 HydrophobicContact CE-CB 4.22Å; M196-I348 HydrophobicContact CE-CG1 3.42Å; M196-I348 VanDerWaalsContact CE-CG1 3.42Å; M196-I348 VanDerWaalsContact CE-N 3.34Å; M196-I348 HydrophobicContact SD-CG1 3.98Å |
| 197 | G | 55.3 | Low | 49.7 | Very low | 17 Ų | 17 | 44.8 Ų | 44.8 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 9.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R193 L194 V199 I306 | R193-G197 PolarHBondContact O-N 2.72Å; L194-G197 PolarHBondContact O-N 2.82Å; G197-V199 PolarHBondContact O-N 3.33Å; G197-V199 VanDerWaalsContact O-N 3.07Å; G197-I306 WeakPolarHBondContact CA-O 3.37Å |
| 198 | V | 50.8 | Low | 48.6 | Very low | 53 Ų | 53 | 48.4 Ų | 48.4 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | trans | -90.5 | 47.9 | -175 | -173.7 | 0 | 0 | 0 | 0 | 110.6 | R193 M196 Y351 | R193-V198 PolarHBondContact NE-O 3.38Å; R193-V198 PolarHBondContact NH2-O 3.45Å; R193-V198 VanDerWaalsContact NH2-O 3.11Å; R193-V198 PolarHBondContact O-N 3.01Å; M196-V198 HydrophobicContact CB-CB 4.33Å; M196-V198 HydrophobicContact CB-CG2 3.83Å; M196-V198 PolarHBondContact O-N 3.31Å; V198-Y351 HydrophobicContact CG2-CD2 4.02Å; V198-Y351 HydrophobicContact CG2-CE2 4.42Å; V198-Y351 HydrophobicContact CG2-CG 4.49Å | ||
| 199 | V | 49.3 | Very low | 47.2 | Very low | 15 Ų | 15 | 52 Ų | 52 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | trans | -137.5 | 99.4 | -177.7 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | R193 L194 G197 L201 I204 | R193-V199 HydrophobicContact CB-CG2 3.75Å; L194-V199 HydrophobicContact CD2-CB 3.88Å; L194-V199 HydrophobicContact CD2-CG1 3.92Å; L194-V199 HydrophobicContact CD2-CG2 3.83Å; L194-V199 HydrophobicContact CG-CG2 4.02Å; G197-V199 PolarHBondContact O-N 3.33Å; G197-V199 VanDerWaalsContact O-N 3.07Å; V199-L201 PolarHBondContact O-N 2.83Å; V199-I204 HydrophobicContact CG1-CD1 3.7Å; V199-I204 HydrophobicContact CG1-CG1 4.06Å | ||
| 200 | D | 38.9 | Very low | 45.7 | Very low | 81 Ų | 81 | 50.7 Ų | 50.7 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | trans | -64.3 | 115.9 | 155.3 | -73.7 | -39.6 | 0 | 0 | 0 | 107.7 | G202 Q203 | D200-G202 PolarHBondContact O-N 3.01Å; D200-Q203 HydrophobicContact CB-CB 4.26Å; D200-Q203 HydrophobicContact CB-CG 3.81Å; D200-Q203 WeakPolarHBondContact O-CB 3.26Å; D200-Q203 PolarHBondContact O-N 2.77Å; D200-Q203 PolarHBondContact OD2-NE2 2.81Å | ||
| 201 | L | 44.4 | Very low | 44.3 | Very low | 30 Ų | 30 | 53.9 Ų | 53.9 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -26.5 | 176.8 | -74.7 | 82.8 | 0 | 0 | 0 | 111.8 | V199 Q203 I204 L245 M248 I306 | V199-L201 PolarHBondContact O-N 2.83Å; L201-Q203 PolarHBondContact O-N 2.77Å; L201-I204 PolarHBondContact O-N 3.2Å; L201-L245 HydrophobicContact CB-CD2 4.38Å; L201-L245 HydrophobicContact CD2-CD2 4.02Å; L201-M248 HydrophobicContact CD2-CE 3.23Å; L201-I306 HydrophobicContact CD1-CD1 4.11Å; L201-I306 HydrophobicContact CD1-CG1 4.25Å |
| 202 | G | 32.1 | Very low | 42.6 | Very low | 50 Ų | 50 | 59.1 Ų | 59.1 | 52% | 0.515 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -22 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D200 | D200-G202 PolarHBondContact O-N 3.01Å |
| 203 | Q | 37.6 | Very low | 40.8 | Very low | 95 Ų | 95 | 61.8 Ų | 61.8 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -81.1 | -30.3 | 175.4 | -69.9 | -176.6 | 34.7 | 0 | 0 | 112.6 | D200 L201 G205 T206 S207 | D200-Q203 HydrophobicContact CB-CB 4.26Å; D200-Q203 HydrophobicContact CB-CG 3.81Å; D200-Q203 WeakPolarHBondContact O-CB 3.26Å; D200-Q203 PolarHBondContact O-N 2.77Å; D200-Q203 PolarHBondContact OD2-NE2 2.81Å; L201-Q203 PolarHBondContact O-N 2.77Å; Q203-G205 PolarHBondContact O-N 2.93Å; Q203-T206 WeakPolarHBondContact O-CA 3.46Å; Q203-T206 PolarHBondContact O-N 3.44Å; Q203-T206 PolarHBondContact O-OG1 2.69Å; Q203-S207 PolarHBondContact O-N 3.46Å; Q203-S207 VanDerWaalsContact O-N 3.08Å |
| 204 | I | 36.6 | Very low | 39.3 | Very low | 24 Ų | 24 | 66 Ų | 66 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.3 | -38.8 | 177.7 | -64.9 | 175.3 | 0 | 0 | 0 | 110.6 | E113 I117 V199 L201 T206 S207 F208 | E113-I204 WeakPolarHBondContact OE1-CG2 3.47Å; I117-I204 HydrophobicContact CD1-CD1 4.38Å; V199-I204 HydrophobicContact CG1-CD1 3.7Å; V199-I204 HydrophobicContact CG1-CG1 4.06Å; L201-I204 PolarHBondContact O-N 3.2Å; I204-T206 PolarHBondContact O-N 3.23Å; I204-S207 PolarHBondContact O-OG 2.99Å; I204-F208 HydrophobicContact CG2-CE2 4.44Å |
| 205 | G | 30.2 | Very low | 37.7 | Very low | 60 Ų | 60 | 71.6 Ų | 71.6 | 62% | 0.619 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.3 | -7.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q203 | Q203-G205 PolarHBondContact O-N 2.93Å |
| 206 | T | 30.3 | Very low | 35.9 | Very low | 81 Ų | 81 | 76.4 Ų | 76.4 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -116.5 | -32.5 | -176.2 | 67.5 | 0 | 0 | 0 | 0 | 113.7 | Q203 I204 F208 T209 | Q203-T206 WeakPolarHBondContact O-CA 3.46Å; Q203-T206 PolarHBondContact O-N 3.44Å; Q203-T206 PolarHBondContact O-OG1 2.69Å; I204-T206 PolarHBondContact O-N 3.23Å; T206-F208 VanDerWaalsContact C-N 3.26Å; T206-F208 PolarHBondContact O-N 3.05Å; T206-T209 PolarHBondContact O-N 2.78Å; T206-T209 PolarHBondContact O-OG1 3.3Å |
| 207 | S | 30 | Very low | 34.5 | Very low | 58 Ų | 58 | 81.8 Ų | 81.8 | 41% | 0.406 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -29.6 | 179 | 47.1 | 0 | 0 | 0 | 0 | 113.3 | Q203 I204 T209 S210 | Q203-S207 PolarHBondContact O-N 3.46Å; Q203-S207 VanDerWaalsContact O-N 3.08Å; I204-S207 PolarHBondContact O-OG 2.99Å; S207-T209 PolarHBondContact O-N 3Å; S207-S210 PolarHBondContact O-N 2.82Å; S207-S210 PolarHBondContact O-OG 3.44Å |
| 208 | F | 26.7 | Very low | 33.1 | Very low | 136 Ų | 136 | 88.6 Ų | 88.6 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -4.3 | 171.5 | -81.1 | -77.5 | 0 | 0 | 0 | 114.6 | I204 T206 | I204-F208 HydrophobicContact CG2-CE2 4.44Å; T206-F208 VanDerWaalsContact C-N 3.26Å; T206-F208 PolarHBondContact O-N 3.05Å |
| 209 | T | 29.7 | Very low | 32.1 | Very low | 99 Ų | 99 | 92.2 Ų | 92.2 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -107.3 | -16.1 | 176.3 | 68.7 | 0 | 0 | 0 | 0 | 114.9 | T206 S207 | T206-T209 PolarHBondContact O-N 2.78Å; T206-T209 PolarHBondContact O-OG1 3.3Å; S207-T209 PolarHBondContact O-N 3Å |
| 210 | S | 29.9 | Very low | 31.1 | Very low | 59 Ų | 59 | 99 Ų | 99 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -81.9 | -44.9 | -178.5 | 50.7 | 0 | 0 | 0 | 0 | 113 | S207 I212 N213 | S207-S210 PolarHBondContact O-N 2.82Å; S207-S210 PolarHBondContact O-OG 3.44Å; S210-I212 VanDerWaalsContact C-N 3.3Å; S210-I212 PolarHBondContact O-N 3.38Å; S210-N213 PolarHBondContact O-N 3.39Å |
| 211 | D | 28.6 | Very low | 30.6 | Very low | 122 Ų | 122 | 100.8 Ų | 100.8 | 65% | 0.652 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -80.8 | -12.4 | -159.7 | -64.9 | 6.6 | 0 | 0 | 0 | 113.6 | N213 | D211-N213 PolarHBondContact O-N 2.89Š|
| 212 | I | 30.9 | Very low | 29.7 | Very low | 112 Ų | 112 | 106.5 Ų | 106.5 | 57% | 0.574 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -67.2 | -23.5 | 177.1 | -64.9 | 175.6 | 0 | 0 | 0 | 111.9 | S210 T216 | S210-I212 VanDerWaalsContact C-N 3.3Å; S210-I212 PolarHBondContact O-N 3.38Å; I212-T216 PolarHBondContact O-OG1 2.76Å |
| 213 | N | 29.9 | Very low | 29.4 | Very low | 93 Ų | 93 | 110.9 Ų | 110.9 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -82.3 | -14.7 | -172.1 | -71 | -33.6 | 0 | 0 | 0 | 115 | S210 D211 | S210-N213 PolarHBondContact O-N 3.39Å; D211-N213 PolarHBondContact O-N 2.89Å |
| 214 | H | 29.6 | Very low | 28.8 | Very low | 179 Ų | 179 | 112.3 Ų | 112.3 | 83% | 0.829 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -98.9 | -5.6 | -169.6 | -97.5 | -63.7 | 0 | 0 | 0 | 117.1 | ||
| 215 | T | 27.7 | Very low | 28.2 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 74% | 0.742 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -123.8 | -5.7 | -174.4 | 54 | 0 | 0 | 0 | 0 | 115.9 | N217 | T215-N217 PolarHBondContact O-N 3.17Š|
| 216 | T | 28 | Very low | 28 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | trans | -99.5 | 43.3 | -172.1 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | I212 | I212-T216 PolarHBondContact O-OG1 2.76Š| ||
| 217 | N | 26.9 | Very low | 27.9 | Very low | 126 Ų | 126 | 120.6 Ų | 120.6 | 67% | 0.674 | 68% | 0.679 | S | S | * | * | trans | -138.8 | 44.4 | -176.2 | -149.6 | 58.1 | 0 | 0 | 0 | 115.7 | T215 | T215-N217 PolarHBondContact O-N 3.17Š| ||
| 218 | N | 27.9 | Very low | 27.7 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 86% | 0.856 | 70% | 0.696 | S | S | * | * | trans | -151.8 | 153.7 | 147.5 | -117 | -31 | 0 | 0 | 0 | 112.1 | ||||
| 219 | N | 29.2 | Very low | 27.6 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | trans | -109.5 | 159.6 | -160.4 | -58.1 | -79.8 | 0 | 0 | 0 | 114.5 | ||||
| 220 | N | 28.2 | Very low | 27.4 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 85% | 0.85 | 71% | 0.712 | S | S | * | * | trans | 66.3 | 96.1 | 150.4 | -59.1 | -20.6 | 0 | 0 | 0 | 120.1 | ||||
| 221 | S | 28.8 | Very low | 27.1 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | -157.4 | 137.8 | 122.4 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 222 | N | 25.1 | Very low | 26.8 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | -79.5 | 141.7 | -177 | -46.1 | -68.6 | 0 | 0 | 0 | 112.1 | ||||
| 223 | N | 25.5 | Very low | 26.6 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | 176.8 | 170.8 | 115.6 | -88.4 | -7 | 0 | 0 | 0 | 112.9 | |||||
| 224 | D | 25.3 | Very low | 26.4 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 67% | 0.668 | 72% | 0.722 | S | S | * | * | trans | 66.7 | 59.2 | 155.6 | -54.1 | -17.9 | 0 | 0 | 0 | 120.3 | S226 | D224-S226 PolarHBondContact O-N 2.91Š| ||
| 225 | S | 24.7 | Very low | 26.3 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 88% | 0.881 | 71% | 0.713 | S | S | * | * | 52.7 | 29.4 | 119.8 | 67.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 226 | S | 26.1 | Very low | 26.5 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | trans | -108.7 | -16 | 180 | 56 | 0 | 0 | 0 | 0 | 116.1 | D224 V228 | D224-S226 PolarHBondContact O-N 2.91Å; S226-V228 PolarHBondContact O-N 3.34Å | ||
| 227 | N | 27.6 | Very low | 26.6 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 67% | 0.668 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -82.7 | -7.4 | -167.5 | -82.2 | 4 | 0 | 0 | 0 | 117.4 | Y229 | N227-Y229 PolarHBondContact O-N 2.71Å; N227-Y229 VanDerWaalsContact O-N 3.17Å |
| 228 | V | 26 | Very low | 26.8 | Very low | 128 Ų | 128 | 128 Ų | 128 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -71.3 | -13.2 | -170.6 | -177.5 | 0 | 0 | 0 | 0 | 113.9 | S226 | S226-V228 PolarHBondContact O-N 3.34Š|
| 229 | Y | 23.9 | Very low | 26.9 | Very low | 204 Ų | 204 | 122.6 Ų | 122.6 | 80% | 0.8 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -91.3 | -21.3 | -178.8 | -102.5 | -90.1 | 0 | 0 | 0 | 115.3 | N227 | N227-Y229 PolarHBondContact O-N 2.71Å; N227-Y229 VanDerWaalsContact O-N 3.17Å |
| 230 | W | 25 | Very low | 27 | Very low | 191 Ų | 191 | 117.3 Ų | 117.3 | 72% | 0.723 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -36 | -173.3 | -86.4 | 103 | 0 | 0 | 0 | 114.1 | R232 C233 | W230-R232 PolarHBondContact O-N 2.96Å; W230-R232 VanDerWaalsContact O-N 3.08Å; W230-C233 PolarHBondContact O-N 2.95Å |
| 231 | E | 23.9 | Very low | 27.3 | Very low | 167 Ų | 167 | 112.4 Ų | 112.4 | 78% | 0.78 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -16 | -177.4 | -64.4 | -176.8 | 142.4 | 0 | 0 | 113.7 | ||
| 232 | R | 23.4 | Very low | 27.5 | Very low | 206 Ų | 206 | 111.2 Ų | 111.2 | 78% | 0.777 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -11.2 | -174.4 | -159.1 | 165.3 | -175.4 | 152.7 | 3 | 115.1 | W230 | W230-R232 PolarHBondContact O-N 2.96Å; W230-R232 VanDerWaalsContact O-N 3.08Å |
| 233 | C | 25.1 | Very low | 27.8 | Very low | 38 Ų | 38 | 107 Ų | 107 | 26% | 0.257 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | -37 | 171.9 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | N68 W230 S235 I236 T237 | N68-C233 PolarHBondContact OD1-SG 3.07Å; W230-C233 PolarHBondContact O-N 2.95Å; C233-S235 PolarHBondContact O-N 3.3Å; C233-S235 VanDerWaalsContact O-N 3.09Å; C233-I236 PolarHBondContact O-N 3.1Å; C233-T237 PolarHBondContact O-N 3.22Å; C233-T237 VanDerWaalsContact O-N 3.13Å; C233-T237 PolarHBondContact O-OG1 3.42Å |
| 234 | N | 26.6 | Very low | 28.2 | Very low | 103 Ų | 103 | 101.3 Ų | 101.3 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63 | -20.2 | -172.6 | -66.3 | -1.5 | 0 | 0 | 0 | 114.6 | S238 | N234-S238 WeakPolarHBondContact O-CB 3.46Å; N234-S238 PolarHBondContact O-OG 3.43Å |
| 235 | S | 28.1 | Very low | 28.6 | Very low | 89 Ų | 89 | 98 Ų | 98 | 62% | 0.622 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -90.6 | 4.6 | 176.4 | 76.9 | 0 | 0 | 0 | 0 | 114.3 | C233 | C233-S235 PolarHBondContact O-N 3.3Å; C233-S235 VanDerWaalsContact O-N 3.09Å |
| 236 | I | 31.1 | Very low | 29 | Very low | 124 Ų | 124 | 97.7 Ų | 97.7 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -123.7 | -43.1 | 179.6 | -63.3 | 167.4 | 0 | 0 | 0 | 110.2 | C233 S238 G239 G240 | C233-I236 PolarHBondContact O-N 3.1Å; I236-S238 VanDerWaalsContact C-N 3.31Å; I236-S238 PolarHBondContact O-N 2.98Å; I236-G239 PolarHBondContact O-N 2.84Å; I236-G240 PolarHBondContact O-N 3.22Å |
| 237 | T | 30.9 | Very low | 29.6 | Very low | 61 Ų | 61 | 96.4 Ų | 96.4 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 176.4 | 52.1 | 0 | 0 | 0 | 0 | 113 | C233 G239 G240 L241 | C233-T237 PolarHBondContact O-N 3.22Å; C233-T237 VanDerWaalsContact O-N 3.13Å; C233-T237 PolarHBondContact O-OG1 3.42Å; T237-G239 PolarHBondContact O-N 2.85Å; T237-G240 PolarHBondContact O-N 3Å; T237-L241 WeakPolarHBondContact O-CB 3.29Å; T237-L241 WeakPolarHBondContact O-CG 3.18Å; T237-L241 PolarHBondContact O-N 3.42Å |
| 238 | S | 30.9 | Very low | 29.8 | Very low | 57 Ų | 57 | 91.7 Ų | 91.7 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 175.8 | 46.9 | 0 | 0 | 0 | 0 | 112.8 | N234 I236 I242 | N234-S238 WeakPolarHBondContact O-CB 3.46Å; N234-S238 PolarHBondContact O-OG 3.43Å; I236-S238 VanDerWaalsContact C-N 3.31Å; I236-S238 PolarHBondContact O-N 2.98Å; S238-I242 WeakPolarHBondContact O-CB 3.36Å; S238-I242 WeakPolarHBondContact O-CD1 3.41Å; S238-I242 WeakPolarHBondContact O-CG1 3.33Å; S238-I242 PolarHBondContact O-N 2.94Å; S238-I242 VanDerWaalsContact O-N 3.14Å |
| 239 | G | 28.9 | Very low | 30.1 | Very low | 46 Ų | 46 | 92.6 Ų | 92.6 | 47% | 0.474 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66 | -47.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I236 T237 I242 S243 | I236-G239 PolarHBondContact O-N 2.84Å; T237-G239 PolarHBondContact O-N 2.85Å; G239-I242 PolarHBondContact O-N 3.2Å; G239-S243 PolarHBondContact O-N 3.46Å; G239-S243 PolarHBondContact O-OG 2.9Å |
| 240 | G | 32.3 | Very low | 30.6 | Very low | 17 Ų | 17 | 87.1 Ų | 87.1 | 18% | 0.175 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -58.9 | -53.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I236 T237 I242 S243 S244 | I236-G240 PolarHBondContact O-N 3.22Å; T237-G240 PolarHBondContact O-N 3Å; G240-I242 VanDerWaalsContact C-N 3.3Å; G240-I242 PolarHBondContact O-N 3.27Å; G240-S243 WeakPolarHBondContact CA-OG 3.47Å; G240-S243 CarbonylContact O-C 3.52Å; G240-S243 WeakPolarHBondContact O-CA 3.01Å; G240-S243 PolarHBondContact O-N 3.41Å; G240-S243 PolarHBondContact O-OG 3.03Å; G240-S244 PolarHBondContact O-N 3.46Å; G240-S244 PolarHBondContact O-OG 2.86Å |
| 241 | L | 34 | Very low | 31.1 | Very low | 57 Ų | 57 | 80.7 Ų | 80.7 | 30% | 0.298 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.4 | -34.2 | 178.9 | -72 | 168.5 | 0 | 0 | 0 | 112.7 | T237 S244 L245 | T237-L241 WeakPolarHBondContact O-CB 3.29Å; T237-L241 WeakPolarHBondContact O-CG 3.18Å; T237-L241 PolarHBondContact O-N 3.42Å; L241-S244 PolarHBondContact O-N 3.39Å; L241-L245 WeakPolarHBondContact O-CB 3.28Å; L241-L245 WeakPolarHBondContact O-CG 3.46Å; L241-L245 PolarHBondContact O-N 3.39Å |
| 242 | I | 33.1 | Very low | 31.3 | Very low | 93 Ų | 93 | 77.5 Ų | 77.5 | 48% | 0.477 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.6 | -36.1 | 173 | -71.9 | 169.8 | 0 | 0 | 0 | 111.3 | S238 G239 G240 K246 | S238-I242 WeakPolarHBondContact O-CB 3.36Å; S238-I242 WeakPolarHBondContact O-CD1 3.41Å; S238-I242 WeakPolarHBondContact O-CG1 3.33Å; S238-I242 PolarHBondContact O-N 2.94Å; S238-I242 VanDerWaalsContact O-N 3.14Å; G239-I242 PolarHBondContact O-N 3.2Å; G240-I242 VanDerWaalsContact C-N 3.3Å; G240-I242 PolarHBondContact O-N 3.27Å; I242-K246 HydrophobicContact CG2-CD 4.15Å; I242-K246 HydrophobicContact CG2-CG 4.44Å; I242-K246 VanDerWaalsContact O-CB 3.24Å; I242-K246 WeakPolarHBondContact O-CB 3.28Å; I242-K246 VanDerWaalsContact O-CG 3.25Å; I242-K246 WeakPolarHBondContact O-CG 3.49Å; I242-K246 PolarHBondContact O-N 3.3Å |
| 243 | S | 31.2 | Very low | 31.8 | Very low | 61 Ų | 61 | 70.1 Ų | 70.1 | 43% | 0.427 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 170 | 39.9 | 0 | 0 | 0 | 0 | 112.8 | G239 G240 K246 I247 | G239-S243 PolarHBondContact O-N 3.46Å; G239-S243 PolarHBondContact O-OG 2.9Å; G240-S243 WeakPolarHBondContact CA-OG 3.47Å; G240-S243 CarbonylContact O-C 3.52Å; G240-S243 WeakPolarHBondContact O-CA 3.01Å; G240-S243 PolarHBondContact O-N 3.41Å; G240-S243 PolarHBondContact O-OG 3.03Å; S243-K246 PolarHBondContact O-N 3.24Å; S243-I247 WeakPolarHBondContact O-CB 3.26Å; S243-I247 WeakPolarHBondContact O-CD1 3.38Å; S243-I247 WeakPolarHBondContact O-CG1 3.31Å; S243-I247 PolarHBondContact O-N 3.07Å |
| 244 | S | 33.4 | Very low | 31.9 | Very low | 22 Ų | 22 | 71 Ų | 71 | 15% | 0.154 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.1 | -43 | 176.3 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | E73 G240 L241 I247 M248 | E73-S244 VanDerWaalsContact CD-OG 3.32Å; E73-S244 WeakPolarHBondContact OE1-CB 3.3Å; E73-S244 PolarHBondContact OE1-OG 3.46Å; G240-S244 PolarHBondContact O-N 3.46Å; G240-S244 PolarHBondContact O-OG 2.86Å; L241-S244 PolarHBondContact O-N 3.39Å; S244-I247 PolarHBondContact O-N 2.76Å; S244-M248 PolarHBondContact O-N 3.05Å |
| 245 | L | 34 | Very low | 32 | Very low | 54 Ų | 54 | 71 Ų | 71 | 28% | 0.283 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 171.5 | -76.2 | 163.8 | 0 | 0 | 0 | 111.5 | L201 L241 I247 M248 E249 | L201-L245 HydrophobicContact CB-CD2 4.38Å; L201-L245 HydrophobicContact CD2-CD2 4.02Å; L241-L245 WeakPolarHBondContact O-CB 3.28Å; L241-L245 WeakPolarHBondContact O-CG 3.46Å; L241-L245 PolarHBondContact O-N 3.39Å; L245-I247 VanDerWaalsContact C-N 3.33Å; L245-I247 PolarHBondContact O-N 3.29Å; L245-M248 CarbonylContact O-C 3.55Å; L245-M248 WeakPolarHBondContact O-CA 3.21Å; L245-M248 WeakPolarHBondContact O-CB 3.2Å; L245-M248 PolarHBondContact O-N 3.24Å; L245-E249 WeakPolarHBondContact O-CG 3.35Å; L245-E249 PolarHBondContact O-N 2.95Å |
| 246 | K | 34.1 | Very low | 32.1 | Very low | 121 Ų | 121 | 70.2 Ų | 70.2 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.1 | -30.7 | 175.9 | -77.7 | -176.3 | 175.2 | -164 | 0 | 113.6 | I242 S243 M248 E249 S250 | I242-K246 HydrophobicContact CG2-CD 4.15Å; I242-K246 HydrophobicContact CG2-CG 4.44Å; I242-K246 VanDerWaalsContact O-CB 3.24Å; I242-K246 WeakPolarHBondContact O-CB 3.28Å; I242-K246 VanDerWaalsContact O-CG 3.25Å; I242-K246 WeakPolarHBondContact O-CG 3.49Å; I242-K246 PolarHBondContact O-N 3.3Å; S243-K246 PolarHBondContact O-N 3.24Å; K246-M248 VanDerWaalsContact C-N 3.33Å; K246-E249 CarbonylContact O-C 3.58Å; K246-E249 PolarHBondContact O-N 3.48Å; K246-S250 VanDerWaalsContact O-CB 3.26Å; K246-S250 WeakPolarHBondContact O-CB 3.46Å; K246-S250 PolarHBondContact O-N 3.09Å; K246-S250 PolarHBondContact O-OG 3.08Å |
| 247 | I | 37.6 | Very low | 31.9 | Very low | 60 Ų | 60 | 67.4 Ų | 67.4 | 31% | 0.308 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 169.1 | -73.6 | 163.1 | 0 | 0 | 0 | 109.6 | S243 S244 L245 E249 S250 I251 | S243-I247 WeakPolarHBondContact O-CB 3.26Å; S243-I247 WeakPolarHBondContact O-CD1 3.38Å; S243-I247 WeakPolarHBondContact O-CG1 3.31Å; S243-I247 PolarHBondContact O-N 3.07Å; S244-I247 PolarHBondContact O-N 2.76Å; L245-I247 VanDerWaalsContact C-N 3.33Å; L245-I247 PolarHBondContact O-N 3.29Å; I247-E249 VanDerWaalsContact C-N 3.34Å; I247-S250 PolarHBondContact O-N 3.34Å; I247-I251 HydrophobicContact CG2-CD1 3.67Å; I247-I251 HydrophobicContact CG2-CG1 4.29Å; I247-I251 WeakPolarHBondContact O-CB 3.41Å; I247-I251 WeakPolarHBondContact O-CD1 3.25Å; I247-I251 WeakPolarHBondContact O-CG1 3.44Å; I247-I251 PolarHBondContact O-N 3.44Å |
| 248 | M | 33.2 | Very low | 31.8 | Very low | 27 Ų | 27 | 70.4 Ų | 70.4 | 13% | 0.133 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.8 | -22.7 | 171.8 | -96.1 | 143.5 | 57.9 | 0 | 0 | 114.4 | I117 L201 S244 L245 K246 W253 | I117-M248 HydrophobicContact CG2-CE 4.46Å; L201-M248 HydrophobicContact CD2-CE 3.23Å; S244-M248 PolarHBondContact O-N 3.05Å; L245-M248 CarbonylContact O-C 3.55Å; L245-M248 WeakPolarHBondContact O-CA 3.21Å; L245-M248 WeakPolarHBondContact O-CB 3.2Å; L245-M248 PolarHBondContact O-N 3.24Å; K246-M248 VanDerWaalsContact C-N 3.33Å; M248-W253 HydrophobicContact CG-CZ2 4.36Å; M248-W253 PolarHBondContact O-NE1 2.9Å; M248-W253 VanDerWaalsContact O-NE1 3.16Å |
| 249 | E | 32.1 | Very low | 31.6 | Very low | 146 Ų | 146 | 73 Ų | 73 | 68% | 0.682 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -84.5 | -27.9 | 169.7 | -68.2 | 179.1 | 137 | 0 | 0 | 113 | L245 K246 I247 | L245-E249 WeakPolarHBondContact O-CG 3.35Å; L245-E249 PolarHBondContact O-N 2.95Å; K246-E249 CarbonylContact O-C 3.58Å; K246-E249 PolarHBondContact O-N 3.48Å; I247-E249 VanDerWaalsContact C-N 3.34Å |
| 250 | S | 34.1 | Very low | 31.5 | Very low | 90 Ų | 90 | 74.9 Ų | 74.9 | 63% | 0.629 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -96.9 | -11 | -179.3 | 78.1 | 0 | 0 | 0 | 0 | 114.4 | K246 I247 | K246-S250 VanDerWaalsContact O-CB 3.26Å; K246-S250 WeakPolarHBondContact O-CB 3.46Å; K246-S250 PolarHBondContact O-N 3.09Å; K246-S250 PolarHBondContact O-OG 3.08Å; I247-S250 PolarHBondContact O-N 3.34Å |
| 251 | I | 35.5 | Very low | 31.3 | Very low | 56 Ų | 56 | 80.2 Ų | 80.2 | 29% | 0.287 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -76.2 | 120.1 | 160.2 | -72.9 | 165.2 | 0 | 0 | 0 | 106.5 | F80 I247 W253 | F80-I251 HydrophobicContact CE1-CD1 4.05Å; F80-I251 HydrophobicContact CE2-CD1 4.4Å; F80-I251 HydrophobicContact CZ-CD1 3.8Å; I247-I251 HydrophobicContact CG2-CD1 3.67Å; I247-I251 HydrophobicContact CG2-CG1 4.29Å; I247-I251 WeakPolarHBondContact O-CB 3.41Å; I247-I251 WeakPolarHBondContact O-CD1 3.25Å; I247-I251 WeakPolarHBondContact O-CG1 3.44Å; I247-I251 PolarHBondContact O-N 3.44Å; I251-W253 VanDerWaalsContact C-N 3.26Å; I251-W253 PolarHBondContact O-N 2.89Å |
| 252 | D | 28.5 | Very low | 31 | Very low | 100 Ų | 100 | 84.5 Ų | 84.5 | 54% | 0.535 | 46% | 0.463 | S | S | . | . | trans | -63 | 84.7 | 171.1 | -85.7 | -53.6 | 0 | 0 | 0 | 110.8 | A254 M255 | D252-A254 HydrophobicContact CB-CB 4.45Å; D252-A254 PolarHBondContact O-N 3.36Å; D252-A254 VanDerWaalsContact O-N 3.15Å; D252-M255 HydrophobicContact CB-CB 4.47Å; D252-M255 HydrophobicContact CB-CG 4.11Å; D252-M255 WeakPolarHBondContact O-CB 3.35Å; D252-M255 PolarHBondContact O-N 3Å | ||
| 253 | W | 32.9 | Very low | 30.8 | Very low | 51 Ų | 51 | 86.1 Ų | 86.1 | 19% | 0.193 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -22.8 | 164.6 | -77 | 84.3 | 0 | 0 | 0 | 111.5 | H124 M248 I251 M255 C256 L257 P304 | H124-W253 AromaticContact CE1-CZ3 3.5Å; H124-W253 VanDerWaalsContact CE1-CZ3 3.5Å; H124-W253 WeakPolarHBondContact CE1-CZ3 3.24Å; H124-W253 AromaticContact ND1-CZ3 4Å; H124-W253 AromaticContact NE2-CZ3 3.66Å; M248-W253 HydrophobicContact CG-CZ2 4.36Å; M248-W253 PolarHBondContact O-NE1 2.9Å; M248-W253 VanDerWaalsContact O-NE1 3.16Å; I251-W253 VanDerWaalsContact C-N 3.26Å; I251-W253 PolarHBondContact O-N 2.89Å; W253-M255 PolarHBondContact O-N 2.98Å; W253-C256 PolarHBondContact O-N 2.88Å; W253-L257 HydrophobicContact CB-CD1 4.35Å; W253-L257 HydrophobicContact CE3-CD1 4.43Å; W253-L257 PolarHBondContact O-N 3.44Å; W253-P304 HydrophobicContact CB-CB 4Å; W253-P304 HydrophobicContact CB-CG 3.97Å; W253-P304 HydrophobicContact CD2-CB 3.92Å; W253-P304 HydrophobicContact CD2-CG 4.02Å; W253-P304 HydrophobicContact CE3-CB 3.88Å; W253-P304 HydrophobicContact CE3-CG 4.48Å; W253-P304 HydrophobicContact CG-CB 3.98Å; W253-P304 HydrophobicContact CG-CG 3.77Å |
| 254 | A | 27.8 | Very low | 30.7 | Very low | 56 Ų | 56 | 89 Ų | 89 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -48.5 | -43.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D252 C256 L257 E258 | D252-A254 HydrophobicContact CB-CB 4.45Å; D252-A254 PolarHBondContact O-N 3.36Å; D252-A254 VanDerWaalsContact O-N 3.15Å; A254-C256 PolarHBondContact O-N 2.78Å; A254-L257 PolarHBondContact O-N 2.79Å; A254-E258 PolarHBondContact O-N 3.01Å |
| 255 | M | 28.5 | Very low | 30.4 | Very low | 104 Ų | 104 | 94.9 Ų | 94.9 | 51% | 0.512 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -9.4 | 178.5 | -76.4 | -157.2 | 71 | 0 | 0 | 114.5 | D252 W253 R912 | D252-M255 HydrophobicContact CB-CB 4.47Å; D252-M255 HydrophobicContact CB-CG 4.11Å; D252-M255 WeakPolarHBondContact O-CB 3.35Å; D252-M255 PolarHBondContact O-N 3Å; W253-M255 PolarHBondContact O-N 2.98Å; M255-R912 PolarHBondContact SD-NH1 3.47Å |
| 256 | C | 29.6 | Very low | 30.2 | Very low | 72 Ų | 72 | 99 Ų | 99 | 49% | 0.486 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -114.7 | -8.1 | 176.7 | -65.7 | 0 | 0 | 0 | 0 | 114.2 | W253 A254 | W253-C256 PolarHBondContact O-N 2.88Å; A254-C256 PolarHBondContact O-N 2.78Å |
| 257 | L | 28.4 | Very low | 29.9 | Very low | 65 Ų | 65 | 102 Ų | 102 | 34% | 0.34 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -119.3 | 4.8 | -171.4 | -73.7 | 168.4 | 0 | 0 | 0 | 115.4 | W253 A254 S259 S260 P304 | W253-L257 HydrophobicContact CB-CD1 4.35Å; W253-L257 HydrophobicContact CE3-CD1 4.43Å; W253-L257 PolarHBondContact O-N 3.44Å; A254-L257 PolarHBondContact O-N 2.79Å; L257-S259 PolarHBondContact O-N 3.24Å; L257-S260 PolarHBondContact O-N 3.02Å; L257-P304 HydrophobicContact CD1-CB 3.79Å |
| 258 | E | 26.8 | Very low | 29.3 | Very low | 123 Ų | 123 | 108.8 Ų | 108.8 | 58% | 0.575 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 48.1 | 168.2 | -70.5 | -176.8 | 174.8 | 0 | 0 | 113.7 | A254 K901 | A254-E258 PolarHBondContact O-N 3.01Å; E258-K901 PolarHBondContact O-NZ 3.42Å; E258-K901 IonicContact OE2-NZ 3.17Å; E258-K901 PolarHBondContact OE2-NZ 3.4Å |
| 259 | S | 28.1 | Very low | 29 | Very low | 111 Ų | 111 | 112.5 Ų | 112.5 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | 4.3 | 171.8 | 52 | 0 | 0 | 0 | 0 | 112.7 | L257 | L257-S259 PolarHBondContact O-N 3.24Š|
| 260 | S | 27.5 | Very low | 28.6 | Very low | 87 Ų | 87 | 111.6 Ų | 111.6 | 61% | 0.608 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -129 | -2.7 | 177 | 61.6 | 0 | 0 | 0 | 0 | 115.8 | L257 F262 | L257-S260 PolarHBondContact O-N 3.02Å; S260-F262 PolarHBondContact O-N 3.45Å |
| 261 | N | 27.1 | Very low | 28.2 | Very low | 129 Ų | 129 | 114.3 Ų | 114.3 | 69% | 0.69 | 62% | 0.619 | S | S | * | * | trans | -86.1 | 100.9 | 172 | -75 | -0.1 | 0 | 0 | 0 | 109.6 | ||||
| 262 | F | 27.5 | Very low | 27.8 | Very low | 146 Ų | 146 | 117.6 Ų | 117.6 | 64% | 0.64 | 64% | 0.637 | S | S | * | * | trans | -91.3 | 113.2 | 157.9 | -107.7 | -91.2 | 0 | 0 | 0 | 107.5 | S260 E890 | S260-F262 PolarHBondContact O-N 3.45Å; F262-E890 HydrophobicContact CZ-CG 4.23Å | ||
| 263 | D | 28.4 | Very low | 27.8 | Very low | 127 Ų | 127 | 119.1 Ų | 119.1 | 68% | 0.679 | 65% | 0.646 | S | S | * | * | trans | -69.9 | 134.4 | -177.2 | -63.5 | -54 | 0 | 0 | 0 | 111.8 | ||||
| 264 | V | 29.9 | Very low | 27.6 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 75% | 0.745 | 67% | 0.667 | S | S | * | * | trans | -121.7 | 77.1 | 167.2 | -176.7 | 0 | 0 | 0 | 0 | 107.3 | N266 | V264-N266 PolarHBondContact O-N 3.27Š| ||
| 265 | D | 27.7 | Very low | 27.8 | Very low | 144 Ų | 144 | 127 Ų | 127 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | trans | -62.9 | 105 | 173.9 | -77.9 | -45.2 | 0 | 0 | 0 | 110.5 | ||||
| 266 | N | 29.3 | Very low | 27.8 | Very low | 140 Ų | 140 | 128.4 Ų | 128.4 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | trans | -102.1 | 96.4 | 161.8 | -93.7 | -55.2 | 0 | 0 | 0 | 108.5 | V264 F268 | V264-N266 PolarHBondContact O-N 3.27Å; N266-F268 PolarHBondContact O-N 3.38Å; N266-F268 VanDerWaalsContact O-N 3.13Å | ||
| 267 | E | 28 | Very low | 27.8 | Very low | 185 Ų | 185 | 131 Ų | 131 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -59.5 | 115 | 173.1 | -77 | -161.1 | 118.9 | 0 | 0 | 111.2 | S269 | E267-S269 PolarHBondContact O-N 2.82Š| ||
| 268 | F | 24.6 | Very low | 27.7 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 89% | 0.886 | 72% | 0.718 | S | S | * | * | trans | -66.2 | 111.3 | 169.5 | -102.3 | -102 | 0 | 0 | 0 | 110.7 | N266 | N266-F268 PolarHBondContact O-N 3.38Å; N266-F268 VanDerWaalsContact O-N 3.13Å | ||
| 269 | S | 26.1 | Very low | 27.7 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | trans | -133.4 | 83.3 | 163.2 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | E267 | E267-S269 PolarHBondContact O-N 2.82Š| ||
| 270 | N | 24.3 | Very low | 27.7 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 68% | 0.684 | 70% | 0.704 | S | S | * | * | trans | 9.8 | 120.6 | 153.1 | -60.3 | -40.5 | 0 | 0 | 0 | 117.8 | ||||
| 271 | N | 27 | Very low | 27.6 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 78% | 0.781 | 70% | 0.702 | S | S | * | * | -176.9 | 160.4 | 89.3 | -91.9 | -63.5 | 0 | 0 | 0 | 113.6 | |||||
| 272 | N | 25.7 | Very low | 27.6 | Very low | 125 Ų | 125 | 134 Ų | 134 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | trans | -51.4 | 161.1 | 172.1 | -38.1 | -53.7 | 0 | 0 | 0 | 112.4 | ||||
| 273 | D | 29.8 | Very low | 27.5 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | -162 | 133.4 | 53.9 | -95.2 | -58.2 | 0 | 0 | 0 | 115.2 | |||||
| 274 | N | 27.6 | Very low | 27.4 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 65% | 0.652 | 70% | 0.701 | S | S | * | * | trans | 32 | 116.4 | 131.7 | -62 | -63.4 | 0 | 0 | 0 | 121.3 | ||||
| 275 | N | 32.1 | Very low | 27.3 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | 167.2 | 146 | 99.7 | -85.4 | -59.6 | 0 | 0 | 0 | 115.8 | |||||
| 276 | N | 27.9 | Very low | 27.2 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | -47 | 162.2 | 173.1 | -40.3 | -22.6 | 0 | 0 | 0 | 115.9 | ||||
| 277 | D | 31 | Very low | 27 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 67% | 0.674 | 70% | 0.7 | S | S | * | * | -172.1 | 130.3 | 67.2 | -95.3 | -34.7 | 0 | 0 | 0 | 115 | |||||
| 278 | N | 26.3 | Very low | 26.8 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | 58 | 122.4 | 129.5 | -57.2 | -34.1 | 0 | 0 | 0 | 125.1 | |||||
| 279 | N | 27 | Very low | 26.8 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 57% | 0.567 | 69% | 0.685 | S | S | * | * | 117.6 | 126.9 | 110.1 | -88.4 | -13.1 | 0 | 0 | 0 | 124.2 | |||||
| 280 | V | 27.2 | Very low | 26.7 | Very low | 82 Ų | 82 | 125.1 Ų | 125.1 | 50% | 0.497 | 68% | 0.679 | S | S | . | * | trans | 97.6 | 100.5 | 131.7 | 166.4 | 0 | 0 | 0 | 0 | 123.7 | L760 | V280-L760 VanDerWaalsContact C-CD1 3.46Š| ||
| 281 | L | 24.8 | Very low | 26.8 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 56% | 0.56 | 68% | 0.682 | S | S | * | * | trans | 61 | 132.3 | 138.3 | -54.1 | 179.7 | 0 | 0 | 0 | 120.8 | ||||
| 282 | Q | 27 | Very low | 26.6 | Very low | 160 Ų | 160 | 128.7 Ų | 128.7 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | cis | 91.3 | 137.5 | 42 | -173.3 | 179.9 | -18.2 | 0 | 0 | 112.4 | ||||
| 283 | S | 26.1 | Very low | 26.6 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 60% | 0.601 | 67% | 0.673 | S | S | * | * | cis | -152.9 | 179.8 | 0.8 | 37.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 284 | D | 27 | Very low | 26.3 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | 163.2 | 129.7 | 119.6 | -85.1 | 8.4 | 0 | 0 | 0 | 115.2 | |||||
| 285 | F | 26.8 | Very low | 26.2 | Very low | 169 Ų | 169 | 121.8 Ų | 121.8 | 74% | 0.741 | 64% | 0.643 | S | S | * | * | trans | 42.4 | 146.6 | 156.7 | -48.7 | -63.4 | 0 | 0 | 0 | 121.6 | ||||
| 286 | D | 25.3 | Very low | 25.8 | Very low | 142 Ų | 142 | 119.9 Ų | 119.9 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | cis | -169.9 | 171.9 | -12.9 | -108.5 | -7.1 | 0 | 0 | 0 | 107.3 | ||||
| 287 | E | 24.7 | Very low | 25.7 | Very low | 159 Ų | 159 | 121.4 Ų | 121.4 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | cis | -145.9 | 159.1 | 0.5 | -164 | -131.3 | 93.9 | 0 | 0 | 108.3 | ||||
| 288 | S | 24.7 | Very low | 25.5 | Very low | 100 Ų | 100 | 121 Ų | 121 | 70% | 0.699 | 64% | 0.637 | S | S | * | * | trans | -172.4 | 152.2 | 158.4 | 40.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 289 | P | 25.5 | Very low | 25.4 | Very low | 116 Ų | 116 | 119.2 Ų | 119.2 | 75% | 0.753 | 63% | 0.634 | S | S | * | * | trans | -78.8 | 151.7 | -176.8 | 30.3 | -34.6 | 0 | 0 | 0 | 113.9 | ||||
| 290 | P | 23.5 | Very low | 25.3 | Very low | 93 Ų | 93 | 121 Ų | 121 | 60% | 0.604 | 64% | 0.644 | S | S | * | * | trans | -105.9 | 179.3 | -161.9 | 12.7 | 13 | 0 | 0 | 0 | 111.7 | ||||
| 291 | Y | 25.9 | Very low | 25.1 | Very low | 191 Ų | 191 | 124.3 Ų | 124.3 | 75% | 0.749 | 66% | 0.659 | S | S | * | * | cis | -147.2 | 159.5 | 33.4 | -73.7 | -95.9 | 0 | 0 | 0 | 113.1 | ||||
| 292 | Y | 23.8 | Very low | 25.4 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | trans | -120.9 | 177.9 | 170.9 | -104.8 | -85.5 | 0 | 0 | 0 | 111.1 | Y754 | Y292-Y754 HydrophobicContact CD1-CD1 4.19Å; Y292-Y754 AromaticContact CD1-CE1 3.64Å; Y292-Y754 HydrophobicContact CD1-CE1 3.64Å; Y292-Y754 HydrophobicContact CD1-CE2 4.13Å; Y292-Y754 AromaticContact CD1-CZ 3.59Å; Y292-Y754 HydrophobicContact CE1-CD1 4.42Å; Y292-Y754 HydrophobicContact CE1-CD2 4.11Å; Y292-Y754 HydrophobicContact CE1-CE1 4.06Å; Y292-Y754 AromaticContact CE1-CE2 3.72Å; Y292-Y754 HydrophobicContact CE1-CE2 3.72Å; Y292-Y754 HydrophobicContact CE1-CG 4.44Å; Y292-Y754 AromaticContact CE1-CZ 3.68Å | ||
| 293 | T | 24.8 | Very low | 25.4 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | trans | 89.4 | 138.1 | 175.2 | 75.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 294 | T | 23.4 | Very low | 25.8 | Very low | 45 Ų | 45 | 122.7 Ų | 122.7 | 28% | 0.276 | 64% | 0.642 | S | S | . | * | cis | -165.3 | 142 | -7.2 | 14.6 | 0 | 0 | 0 | 0 | 110.4 | S1173 | T294-S1173 WeakPolarHBondContact CB-OG 3.37Å; T294-S1173 WeakPolarHBondContact OG1-CB 3.45Å; T294-S1173 PolarHBondContact OG1-OG 3.16Å | ||
| 295 | N | 26.3 | Very low | 26.7 | Very low | 88 Ų | 88 | 120.2 Ų | 120.2 | 47% | 0.471 | 63% | 0.631 | S | S | . | * | 170.3 | 150.8 | 112.2 | -91.7 | -47.9 | 0 | 0 | 0 | 113.5 | N1172 S1173 | N295-N1172 PolarHBondContact OD1-O 3.15Å; N295-N1172 VanDerWaalsContact OD1-O 3.08Å; N295-S1173 PolarHBondContact ND2-OG 2.95Å; N295-S1173 PolarHBondContact OD1-N 2.86Å | |||
| 296 | N | 23 | Very low | 28 | Very low | 110 Ų | 110 | 113.3 Ų | 113.3 | 59% | 0.588 | 60% | 0.602 | S | S | * | * | trans | -76.5 | 137.5 | 173.7 | -79.4 | -73.2 | 0 | 0 | 0 | 111.8 | ||||
| 297 | I | 26.6 | Very low | 29.6 | Very low | 167 Ų | 167 | 109.4 Ų | 109.4 | 86% | 0.856 | 58% | 0.581 | S | S | * | * | trans | -126.8 | 147.5 | 146.2 | -63.7 | -175.9 | 0 | 0 | 0 | 107.4 | ||||
| 298 | N | 24.9 | Very low | 31.8 | Very low | 116 Ų | 116 | 102.1 Ų | 102.1 | 62% | 0.62 | 55% | 0.547 | S | S | * | . | trans | -60.9 | 141.7 | -160.8 | -65.9 | -36.8 | 0 | 0 | 0 | 115 | ||||
| 299 | S | 25.4 | Very low | 34.2 | Very low | 87 Ų | 87 | 97.6 Ų | 97.6 | 61% | 0.608 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -52.9 | 146.8 | 149.5 | 49.3 | 0 | 0 | 0 | 0 | 111 | ||
| 300 | N | 23.9 | Very low | 36.6 | Very low | 145 Ų | 145 | 92.3 Ų | 92.3 | 78% | 0.775 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 94.6 | 129.5 | -169.5 | -52.8 | -4.8 | 0 | 0 | 0 | 111.9 | ||
| 301 | N | 24.7 | Very low | 39 | Very low | 151 Ų | 151 | 89.5 Ų | 89.5 | 81% | 0.807 | 46% | 0.461 | S | S | * | . | trans | 70.6 | 64.3 | -167.4 | -55.3 | 3.4 | 0 | 0 | 0 | 114.7 | L303 | N301-L303 PolarHBondContact O-N 2.88Š| ||
| 302 | K | 29.9 | Very low | 41.6 | Very low | 193 Ų | 193 | 80.5 Ų | 80.5 | 84% | 0.839 | 43% | 0.426 | S | S | * | . | trans | -77.8 | 100 | 163.2 | -166.1 | -177.5 | -178.3 | -167.4 | 0 | 108.5 | ||||
| 303 | L | 27.2 | Very low | 44.4 | Very low | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | trans | -59.9 | 157.2 | 175.7 | -105.4 | 64.3 | 0 | 0 | 0 | 111.3 | N301 T305 | N301-L303 PolarHBondContact O-N 2.88Å; L303-T305 PolarHBondContact O-N 3.16Å; L303-T305 VanDerWaalsContact O-N 3.1Å | ||
| 304 | P | 33.7 | Very low | 47.1 | Very low | 42 Ų | 42 | 68.7 Ų | 68.7 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | trans | -65.7 | 112.5 | 179.4 | 27.7 | -33.8 | 0 | 0 | 0 | 110.4 | W253 L257 | W253-P304 HydrophobicContact CB-CB 4Å; W253-P304 HydrophobicContact CB-CG 3.97Å; W253-P304 HydrophobicContact CD2-CB 3.92Å; W253-P304 HydrophobicContact CD2-CG 4.02Å; W253-P304 HydrophobicContact CE3-CB 3.88Å; W253-P304 HydrophobicContact CE3-CG 4.48Å; W253-P304 HydrophobicContact CG-CB 3.98Å; W253-P304 HydrophobicContact CG-CG 3.77Å; L257-P304 HydrophobicContact CD1-CB 3.79Å | ||
| 305 | T | 47 | Very low | 49.9 | Very low | 67 Ų | 67 | 70.2 Ų | 70.2 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 130.5 | 170.1 | 47.9 | 0 | 0 | 0 | 0 | 109.3 | L303 D307 | L303-T305 PolarHBondContact O-N 3.16Å; L303-T305 VanDerWaalsContact O-N 3.1Å; T305-D307 PolarHBondContact O-N 3.03Å |
| 306 | I | 54.3 | Low | 52.5 | Low | 24 Ų | 24 | 66.2 Ų | 66.2 | 12% | 0.123 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 127.2 | 172.7 | -61.4 | 170.5 | 0 | 0 | 0 | 108.7 | M120 L194 G197 L201 S308 | M120-I306 HydrophobicContact CE-CG2 4.07Å; L194-I306 HydrophobicContact CD2-CD1 3.94Å; G197-I306 WeakPolarHBondContact CA-O 3.37Å; L201-I306 HydrophobicContact CD1-CD1 4.11Å; L201-I306 HydrophobicContact CD1-CG1 4.25Å; I306-S308 PolarHBondContact O-N 3.11Å |
| 307 | D | 59.3 | Low | 55.4 | Low | 61 Ų | 61 | 61 Ų | 61 | 33% | 0.326 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 132.6 | 173.5 | -77.5 | -13.1 | 0 | 0 | 0 | 111.1 | H124 T305 D311 L312 | H124-D307 IonicContact CD2-OD2 3.19Å; H124-D307 IonicContact NE2-OD2 2.86Å; T305-D307 PolarHBondContact O-N 3.03Å; D307-D311 HydrophobicContact CB-CB 4.48Å; D307-L312 HydrophobicContact CB-CD2 3.98Å; D307-L312 HydrophobicContact CB-CG 4.02Å |
| 308 | S | 69.6 | Low | 58.1 | Low | 5 Ų | 5 | 55.2 Ų | 55.2 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 158.5 | 176.7 | 87.4 | 0 | 0 | 0 | 0 | 110.6 | C195 I306 C310 D311 L312 | C195-S308 WeakPolarHBondContact O-CA 3.29Å; C195-S308 WeakPolarHBondContact O-CB 3.12Å; I306-S308 PolarHBondContact O-N 3.11Å; S308-C310 PolarHBondContact O-N 3.3Å; S308-C310 VanDerWaalsContact O-N 3.1Å; S308-C310 PolarHBondContact OG-N 2.97Å; S308-D311 VanDerWaalsContact CB-OD2 3.29Å; S308-D311 WeakPolarHBondContact CB-OD2 3.37Å; S308-D311 PolarHBondContact O-N 3.38Å; S308-D311 PolarHBondContact OG-N 3.28Å; S308-D311 PolarHBondContact OG-OD2 2.93Å; S308-L312 PolarHBondContact O-N 3.19Å |
| 309 | I | 76 | Confident | 60.6 | Low | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.9 | -29.8 | 174.8 | -74.6 | -175.5 | 0 | 0 | 0 | 111.5 | M120 M123 L142 V145 C195 L313 I334 | M120-I309 HydrophobicContact CE-CG1 4.29Å; M123-I309 HydrophobicContact CE-CG1 4.47Å; L142-I309 HydrophobicContact CD2-CG2 4.01Å; V145-I309 HydrophobicContact CG1-CD1 4.12Å; C195-I309 HydrophobicContact CB-CD1 3.84Å; C195-I309 HydrophobicContact CB-CG1 4.21Å; C195-I309 PolarHBondContact O-N 2.88Å; C195-I309 WeakPolarHBondContact SG-CD1 3.41Å; I309-L313 HydrophobicContact CG2-CD1 4.06Å; I309-L313 WeakPolarHBondContact O-CB 3.5Å; I309-L313 WeakPolarHBondContact O-CD1 3.24Å; I309-L313 WeakPolarHBondContact O-CG 3.44Å; I309-L313 PolarHBondContact O-N 3.07Å; I309-L313 VanDerWaalsContact O-N 3.15Å; I309-I334 HydrophobicContact CG2-CD1 3.83Å |
| 310 | C | 74.9 | Confident | 62.9 | Low | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.034 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.3 | -39.1 | 175.9 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | S308 L313 A314 S352 I354 | S308-C310 PolarHBondContact O-N 3.3Å; S308-C310 VanDerWaalsContact O-N 3.1Å; S308-C310 PolarHBondContact OG-N 2.97Å; C310-L313 PolarHBondContact O-N 2.85Å; C310-A314 PolarHBondContact O-N 3.08Å; C310-S352 VanDerWaalsContact CB-OG 3.29Å; C310-S352 WeakPolarHBondContact CB-OG 3.43Å; C310-I354 HydrophobicContact CB-CB 4.03Å; C310-I354 HydrophobicContact CB-CG1 4.37Å; C310-I354 HydrophobicContact CB-CG2 4.11Å |
| 311 | D | 74.5 | Confident | 65.6 | Low | 34 Ų | 34 | 49.8 Ų | 49.8 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74.7 | -33.3 | 179.1 | -55.8 | -66.8 | 0 | 0 | 0 | 111.1 | D307 S308 L313 A314 P315 S352 S353 | D307-D311 HydrophobicContact CB-CB 4.48Å; S308-D311 VanDerWaalsContact CB-OD2 3.29Å; S308-D311 WeakPolarHBondContact CB-OD2 3.37Å; S308-D311 PolarHBondContact O-N 3.38Å; S308-D311 PolarHBondContact OG-N 3.28Å; S308-D311 PolarHBondContact OG-OD2 2.93Å; D311-L313 VanDerWaalsContact C-N 3.32Å; D311-L313 PolarHBondContact O-N 3.04Å; D311-A314 WeakPolarHBondContact O-CB 3.48Å; D311-A314 PolarHBondContact O-N 3.47Å; D311-P315 WeakPolarHBondContact O-CD 3.28Å; D311-S352 PolarHBondContact OD1-OG 3.34Å; D311-S352 PolarHBondContact OD2-OG 3.24Å; D311-S353 WeakPolarHBondContact OD1-CB 3.5Å; D311-S353 PolarHBondContact OD1-N 2.94Å; D311-S353 PolarHBondContact OD1-OG 2.86Å |
| 312 | L | 79.8 | Confident | 68.3 | Low | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -30.5 | 169.3 | -68.4 | 175.5 | 0 | 0 | 0 | 113.4 | M123 D307 S308 Y316 | M123-L312 HydrophobicContact CB-CD1 4.47Å; M123-L312 HydrophobicContact CE-CD1 3.75Å; D307-L312 HydrophobicContact CB-CD2 3.98Å; D307-L312 HydrophobicContact CB-CG 4.02Å; S308-L312 PolarHBondContact O-N 3.19Å; L312-Y316 WeakPolarHBondContact O-CD2 3.2Å; L312-Y316 WeakPolarHBondContact O-CE2 3.25Å |
| 313 | L | 83.2 | Confident | 70.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -81.3 | -27.6 | 175.9 | -79.1 | 166.6 | 0 | 0 | 0 | 113.2 | L142 I309 C310 D311 P315 Y316 V317 A327 L331 I334 | L142-L313 HydrophobicContact CB-CD2 4.08Å; L142-L313 HydrophobicContact CD1-CD2 3.95Å; L142-L313 HydrophobicContact CD1-CG 4.22Å; I309-L313 HydrophobicContact CG2-CD1 4.06Å; I309-L313 WeakPolarHBondContact O-CB 3.5Å; I309-L313 WeakPolarHBondContact O-CD1 3.24Å; I309-L313 WeakPolarHBondContact O-CG 3.44Å; I309-L313 PolarHBondContact O-N 3.07Å; I309-L313 VanDerWaalsContact O-N 3.15Å; C310-L313 PolarHBondContact O-N 2.85Å; D311-L313 VanDerWaalsContact C-N 3.32Å; D311-L313 PolarHBondContact O-N 3.04Å; L313-P315 VanDerWaalsContact C-CD 3.45Å; L313-Y316 PolarHBondContact O-N 3.49Å; L313-Y316 VanDerWaalsContact O-N 3.08Å; L313-V317 WeakPolarHBondContact O-CG2 3.37Å; L313-A327 HydrophobicContact CD2-CB 4.34Å; L313-L331 HydrophobicContact CB-CD2 4.31Å; L313-L331 HydrophobicContact CB-CG 4.43Å; L313-L331 HydrophobicContact CD1-CD2 4.04Å; L313-L331 HydrophobicContact CD1-CG 4.23Å; L313-I334 HydrophobicContact CD1-CD1 3.62Å |
| 314 | A | 81.7 | Confident | 73.6 | Confident | 11 Ų | 11 | 35.1 Ų | 35.1 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -39.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C310 D311 Y316 I354 V357 | C310-A314 PolarHBondContact O-N 3.08Å; D311-A314 WeakPolarHBondContact O-CB 3.48Å; D311-A314 PolarHBondContact O-N 3.47Å; A314-Y316 PolarHBondContact O-N 2.66Å; A314-I354 HydrophobicContact CB-CD1 3.99Å; A314-V357 HydrophobicContact CB-CB 4.5Å; A314-V357 HydrophobicContact CB-CG1 4.08Å |
| 315 | P | 81.3 | Confident | 76.1 | Confident | 77 Ų | 77 | 39.5 Ų | 39.5 | 50% | 0.5 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -8.1 | 178.8 | -21 | 34.4 | 0 | 0 | 0 | 116.2 | D311 L313 R319 | D311-P315 WeakPolarHBondContact O-CD 3.28Å; L313-P315 VanDerWaalsContact C-CD 3.45Å; P315-R319 PolarHBondContact O-NE 2.88Å |
| 316 | Y | 82.8 | Confident | 78 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -19.9 | -172.8 | -57.8 | -67.4 | 0 | 0 | 0 | 113.7 | E135 V139 L312 L313 A314 F318 R319 L323 G324 | E135-Y316 HydrophobicContact CB-CE1 3.87Å; E135-Y316 HydrophobicContact CG-CE1 3.92Å; E135-Y316 WeakPolarHBondContact OE1-CE1 3.22Å; V139-Y316 HydrophobicContact CG2-CD1 3.97Å; V139-Y316 HydrophobicContact CG2-CD2 3.54Å; V139-Y316 HydrophobicContact CG2-CE1 4.38Å; V139-Y316 HydrophobicContact CG2-CE2 3.98Å; V139-Y316 HydrophobicContact CG2-CG 3.53Å; L312-Y316 WeakPolarHBondContact O-CD2 3.2Å; L312-Y316 WeakPolarHBondContact O-CE2 3.25Å; L313-Y316 PolarHBondContact O-N 3.49Å; L313-Y316 VanDerWaalsContact O-N 3.08Å; A314-Y316 PolarHBondContact O-N 2.66Å; Y316-F318 VanDerWaalsContact C-N 3.3Å; Y316-F318 PolarHBondContact O-N 3.1Å; Y316-R319 PolarHBondContact O-N 3.12Å; Y316-R319 VanDerWaalsContact O-N 3.16Å; Y316-L323 HydrophobicContact CD1-CD2 4.01Å; Y316-L323 HydrophobicContact CD1-CG 4.29Å; Y316-G324 WeakPolarHBondContact O-CA 3.14Å |
| 317 | V | 83.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -38.7 | -173.1 | -171.1 | 0 | 0 | 0 | 0 | 113.7 | L313 R328 L331 F408 | L313-V317 WeakPolarHBondContact O-CG2 3.37Å; V317-R328 HydrophobicContact CG1-CG 4.12Å; V317-R328 PolarHBondContact O-NE 3.06Å; V317-R328 PolarHBondContact O-NH2 3.43Å; V317-L331 HydrophobicContact CB-CD1 4.46Å; V317-L331 HydrophobicContact CG1-CD1 4.17Å; V317-L331 HydrophobicContact CG2-CD1 3.41Å; V317-L331 VanDerWaalsContact CG2-CD1 3.41Å; V317-F408 HydrophobicContact CG1-CD1 4.11Å; V317-F408 HydrophobicContact CG1-CE1 3.48Å; V317-F408 VanDerWaalsContact CG1-CE1 3.48Å; V317-F408 HydrophobicContact CG1-CZ 3.94Å |
| 318 | F | 81.9 | Confident | 81 | Confident | 45 Ų | 45 | 36 Ų | 36 | 20% | 0.197 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 14.3 | -176.1 | -60.3 | -73.5 | 0 | 0 | 0 | 113.9 | Y316 I358 L365 A405 | Y316-F318 VanDerWaalsContact C-N 3.3Å; Y316-F318 PolarHBondContact O-N 3.1Å; F318-I358 HydrophobicContact CZ-CB 4.41Å; F318-I358 HydrophobicContact CZ-CG2 4.27Å; F318-I358 WeakPolarHBondContact CZ-O 3.4Å; F318-L365 HydrophobicContact CD1-CD1 3.76Å; F318-L365 HydrophobicContact CE1-CD1 4.35Å; F318-A405 HydrophobicContact CD1-CB 4.16Å; F318-A405 HydrophobicContact CE1-CB 3.96Å |
| 319 | R | 78.9 | Confident | 81.9 | Confident | 84 Ų | 84 | 39.5 Ų | 39.5 | 32% | 0.317 | 21% | 0.205 | S | C | . | . | trans | -86 | 156.7 | 172.5 | -62.9 | -169.7 | -174.1 | -166.4 | 7 | 111.7 | E135 P315 Y316 G324 | E135-R319 IonicContact OE1-CZ 3.76Å; E135-R319 VanDerWaalsContact OE1-CZ 3.24Å; E135-R319 IonicContact OE1-NH1 2.76Å; E135-R319 PolarHBondContact OE1-NH1 2.78Å; E135-R319 IonicContact OE1-NH2 3.97Å; E135-R319 PolarHBondContact OE1-NH2 3.26Å; E135-R319 IonicContact OE2-CZ 2.83Å; E135-R319 IonicContact OE2-NH1 3.38Å; E135-R319 PolarHBondContact OE2-NH1 2.75Å; E135-R319 IonicContact OE2-NH2 3.64Å; P315-R319 PolarHBondContact O-NE 2.88Å; Y316-R319 PolarHBondContact O-N 3.12Å; Y316-R319 VanDerWaalsContact O-N 3.16Å; R319-G324 VanDerWaalsContact O-CA 3.31Å; R319-G324 WeakPolarHBondContact O-CA 3.48Å | ||
| 320 | D | 73.4 | Confident | 82.4 | Confident | 110 Ų | 110 | 39.3 Ų | 39.3 | 59% | 0.588 | 20% | 0.204 | S | C | * | . | trans | -83.5 | 158.4 | -178.2 | -57.8 | -57.1 | 0 | 0 | 0 | 114.6 | ||||
| 321 | G | 79.9 | Confident | 83 | Confident | 40 Ų | 40 | 39.4 Ų | 39.4 | 41% | 0.412 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | -163 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L323 G324 W325 | G321-L323 PolarHBondContact O-N 2.97Å; G321-G324 PolarHBondContact O-N 3.45Å; G321-G324 VanDerWaalsContact O-N 3.09Å; G321-W325 VanDerWaalsContact O-CD1 3.26Å; G321-W325 PolarHBondContact O-N 2.61Å |
| 322 | D | 81.4 | Confident | 83.7 | Confident | 112 Ų | 112 | 39.6 Ų | 39.6 | 60% | 0.599 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -53.3 | -28.6 | -169.5 | -49.9 | -36.1 | 0 | 0 | 0 | 114.4 | Q326 | D322-Q326 WeakPolarHBondContact O-CB 3.48Å; D322-Q326 VanDerWaalsContact O-CG 3.23Å; D322-Q326 WeakPolarHBondContact O-CG 3.37Å; D322-Q326 PolarHBondContact O-N 2.86Å; D322-Q326 PolarHBondContact O-NE2 2.93Å |
| 323 | L | 84.2 | Confident | 84 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.8 | -47.8 | -179.3 | -173.7 | 67.9 | 0 | 0 | 0 | 111.6 | L132 R136 V139 Y316 G321 Q326 A327 | L132-L323 HydrophobicContact CD1-CD2 3.94Å; R136-L323 HydrophobicContact CG-CD1 4.01Å; V139-L323 HydrophobicContact CB-CD1 3.71Å; V139-L323 HydrophobicContact CG1-CD1 4.15Å; V139-L323 HydrophobicContact CG2-CD1 3.66Å; Y316-L323 HydrophobicContact CD1-CD2 4.01Å; Y316-L323 HydrophobicContact CD1-CG 4.29Å; G321-L323 PolarHBondContact O-N 2.97Å; L323-Q326 PolarHBondContact O-N 3.16Å; L323-A327 PolarHBondContact O-N 3.3Å |
| 324 | G | 85.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.6 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y316 R319 G321 Q326 A327 R328 | Y316-G324 WeakPolarHBondContact O-CA 3.14Å; R319-G324 VanDerWaalsContact O-CA 3.31Å; R319-G324 WeakPolarHBondContact O-CA 3.48Å; G321-G324 PolarHBondContact O-N 3.45Å; G321-G324 VanDerWaalsContact O-N 3.09Å; G324-Q326 VanDerWaalsContact C-N 3.34Å; G324-Q326 PolarHBondContact O-N 3.48Å; G324-A327 PolarHBondContact O-N 3.31Å; G324-R328 WeakPolarHBondContact O-CB 3.29Å; G324-R328 VanDerWaalsContact O-CG 3.23Å; G324-R328 WeakPolarHBondContact O-CG 3.49Å; G324-R328 PolarHBondContact O-N 3.46Å |
| 325 | W | 85.9 | Confident | 84.2 | Confident | 135 Ų | 135 | 41.5 Ų | 41.5 | 51% | 0.511 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61 | -40 | 175.4 | -69.7 | 111.5 | 0 | 0 | 0 | 112.5 | G321 R328 D329 D404 | G321-W325 VanDerWaalsContact O-CD1 3.26Å; G321-W325 PolarHBondContact O-N 2.61Å; W325-R328 PolarHBondContact O-N 3.04Å; W325-D329 WeakPolarHBondContact O-CB 3.3Å; W325-D329 PolarHBondContact O-N 3.37Å; W325-D404 HydrophobicContact CH2-CB 4.26Å |
| 326 | Q | 86.4 | Confident | 84.3 | Confident | 64 Ų | 64 | 39.3 Ų | 39.3 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70.2 | -35.3 | 175.1 | -72.8 | 170.1 | 41.3 | 0 | 0 | 113.2 | V139 D322 L323 G324 S330 | V139-Q326 HydrophobicContact CG1-CB 3.77Å; D322-Q326 WeakPolarHBondContact O-CB 3.48Å; D322-Q326 VanDerWaalsContact O-CG 3.23Å; D322-Q326 WeakPolarHBondContact O-CG 3.37Å; D322-Q326 PolarHBondContact O-N 2.86Å; D322-Q326 PolarHBondContact O-NE2 2.93Å; L323-Q326 PolarHBondContact O-N 3.16Å; G324-Q326 VanDerWaalsContact C-N 3.34Å; G324-Q326 PolarHBondContact O-N 3.48Å; Q326-S330 WeakPolarHBondContact O-CB 3.24Å; Q326-S330 PolarHBondContact O-N 3Å; Q326-S330 PolarHBondContact O-OG 3.23Å |
| 327 | A | 87.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -39.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | V139 L313 L323 G324 S330 L331 | V139-A327 HydrophobicContact CG1-CB 4.08Å; L313-A327 HydrophobicContact CD2-CB 4.34Å; L323-A327 PolarHBondContact O-N 3.3Å; G324-A327 PolarHBondContact O-N 3.31Å; A327-S330 PolarHBondContact O-N 3.39Å; A327-L331 PolarHBondContact O-N 3.16Å; A327-L331 VanDerWaalsContact O-N 3.13Å |
| 328 | R | 89.3 | Confident | 84.3 | Confident | 15 Ų | 15 | 39.2 Ų | 39.2 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.4 | -46.9 | 172.8 | -69.6 | 170.4 | -163.9 | -179.6 | 5.7 | 111.4 | V317 G324 W325 S330 L331 L332 F408 | V317-R328 HydrophobicContact CG1-CG 4.12Å; V317-R328 PolarHBondContact O-NE 3.06Å; V317-R328 PolarHBondContact O-NH2 3.43Å; G324-R328 WeakPolarHBondContact O-CB 3.29Å; G324-R328 VanDerWaalsContact O-CG 3.23Å; G324-R328 WeakPolarHBondContact O-CG 3.49Å; G324-R328 PolarHBondContact O-N 3.46Å; W325-R328 PolarHBondContact O-N 3.04Å; R328-S330 PolarHBondContact O-N 3.34Å; R328-L331 PolarHBondContact O-N 2.83Å; R328-L332 WeakPolarHBondContact O-CG 3.1Å; R328-L332 PolarHBondContact O-N 2.89Å; R328-F408 HydrophobicContact CB-CD2 3.64Å; R328-F408 HydrophobicContact CB-CE2 3.62Å; R328-F408 HydrophobicContact CB-CG 4.4Å; R328-F408 HydrophobicContact CB-CZ 4.37Å; R328-F408 HydrophobicContact CG-CD1 4.31Å; R328-F408 HydrophobicContact CG-CD2 3.66Å; R328-F408 HydrophobicContact CG-CE1 4.44Å; R328-F408 HydrophobicContact CG-CE2 3.8Å; R328-F408 HydrophobicContact CG-CG 3.93Å; R328-F408 HydrophobicContact CG-CZ 4.2Å |
| 329 | D | 88.5 | Confident | 84.3 | Confident | 78 Ų | 78 | 41.7 Ų | 41.7 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.6 | -45.7 | 175.5 | -171.2 | 45.7 | 0 | 0 | 0 | 111.7 | N143 W325 L331 L332 L333 | N143-D329 PolarHBondContact ND2-OD2 3.37Å; W325-D329 WeakPolarHBondContact O-CB 3.3Å; W325-D329 PolarHBondContact O-N 3.37Å; D329-L331 VanDerWaalsContact C-N 3.34Å; D329-L331 PolarHBondContact O-N 3.43Å; D329-L332 PolarHBondContact O-N 3.45Å; D329-L332 VanDerWaalsContact O-N 3.16Å; D329-L333 WeakPolarHBondContact O-CG 3.15Å; D329-L333 PolarHBondContact O-N 3.33Å |
| 330 | S | 86.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.2 | -45.3 | 175 | -55 | 0 | 0 | 0 | 0 | 112.2 | N143 Q326 A327 R328 L333 I334 | N143-S330 WeakPolarHBondContact CA-OG 3.17Å; N143-S330 VanDerWaalsContact CB-OG 3.25Å; N143-S330 WeakPolarHBondContact CB-OG 3.47Å; N143-S330 WeakPolarHBondContact OD1-CA 3.36Å; N143-S330 PolarHBondContact OD1-N 3.38Å; N143-S330 PolarHBondContact OD1-OG 3.21Å; Q326-S330 WeakPolarHBondContact O-CB 3.24Å; Q326-S330 PolarHBondContact O-N 3Å; Q326-S330 PolarHBondContact O-OG 3.23Å; A327-S330 PolarHBondContact O-N 3.39Å; R328-S330 PolarHBondContact O-N 3.34Å; S330-L333 PolarHBondContact O-N 3.26Å; S330-I334 WeakPolarHBondContact O-CG1 3.31Å; S330-I334 PolarHBondContact O-N 3.04Å |
| 331 | L | 87.7 | Confident | 84.2 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.1 | -33 | 178.1 | -72.9 | 172.7 | 0 | 0 | 0 | 113.1 | L313 V317 A327 R328 D329 L333 I334 A335 I354 F408 | L313-L331 HydrophobicContact CB-CD2 4.31Å; L313-L331 HydrophobicContact CB-CG 4.43Å; L313-L331 HydrophobicContact CD1-CD2 4.04Å; L313-L331 HydrophobicContact CD1-CG 4.23Å; V317-L331 HydrophobicContact CB-CD1 4.46Å; V317-L331 HydrophobicContact CG1-CD1 4.17Å; V317-L331 HydrophobicContact CG2-CD1 3.41Å; V317-L331 VanDerWaalsContact CG2-CD1 3.41Å; A327-L331 PolarHBondContact O-N 3.16Å; A327-L331 VanDerWaalsContact O-N 3.13Å; R328-L331 PolarHBondContact O-N 2.83Å; D329-L331 VanDerWaalsContact C-N 3.34Å; D329-L331 PolarHBondContact O-N 3.43Å; L331-L333 VanDerWaalsContact C-N 3.35Å; L331-I334 HydrophobicContact CD2-CD1 4.24Å; L331-I334 PolarHBondContact O-N 3.16Å; L331-A335 WeakPolarHBondContact O-CB 3.38Å; L331-A335 PolarHBondContact O-N 3.24Å; L331-I354 HydrophobicContact CD1-CD1 4.02Å; L331-I354 HydrophobicContact CD2-CD1 4.18Å; L331-I354 HydrophobicContact CD2-CG1 4.1Å; L331-F408 HydrophobicContact CB-CE2 4.45Å; L331-F408 HydrophobicContact CB-CZ 4.11Å; L331-F408 HydrophobicContact CD1-CZ 3.98Å |
| 332 | L | 88.9 | Confident | 84.1 | Confident | 39 Ų | 39 | 44.4 Ų | 44.4 | 20% | 0.204 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.6 | -34.4 | 172.8 | -66.5 | 173.5 | 0 | 0 | 0 | 111.7 | R328 D329 A335 A336 F408 L412 I415 | R328-L332 WeakPolarHBondContact O-CG 3.1Å; R328-L332 PolarHBondContact O-N 2.89Å; D329-L332 PolarHBondContact O-N 3.45Å; D329-L332 VanDerWaalsContact O-N 3.16Å; L332-A335 PolarHBondContact O-N 2.97Å; L332-A336 WeakPolarHBondContact O-CB 3.36Å; L332-A336 PolarHBondContact O-N 3.06Å; L332-F408 HydrophobicContact CD2-CD2 4.5Å; L332-F408 HydrophobicContact CD2-CE2 4.23Å; L332-F408 HydrophobicContact CG-CD2 4.48Å; L332-F408 HydrophobicContact CG-CE2 4.11Å; L332-L412 HydrophobicContact CD2-CB 4.16Å; L332-L412 HydrophobicContact CD2-CD1 4.15Å; L332-I415 HydrophobicContact CD2-CD1 4.45Å |
| 333 | L | 86 | Confident | 83.5 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 20% | 0.199 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.5 | -41.1 | 172.2 | -71 | 165.7 | 0 | 0 | 0 | 112.1 | N143 C146 A147 D329 S330 L331 A336 Y337 | N143-L333 VanDerWaalsContact OD1-CD1 3.26Å; N143-L333 WeakPolarHBondContact OD1-CD1 3.46Å; C146-L333 HydrophobicContact CB-CB 4.05Å; C146-L333 HydrophobicContact CB-CD1 4.33Å; A147-L333 HydrophobicContact CB-CD1 4.12Å; D329-L333 WeakPolarHBondContact O-CG 3.15Å; D329-L333 PolarHBondContact O-N 3.33Å; S330-L333 PolarHBondContact O-N 3.26Å; L331-L333 VanDerWaalsContact C-N 3.35Å; L333-A336 PolarHBondContact O-N 3.43Å; L333-Y337 WeakPolarHBondContact O-CB 3.34Å; L333-Y337 PolarHBondContact O-N 3.23Å |
| 334 | I | 84 | Confident | 83.1 | Confident | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.062 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 172.1 | -73 | 165.1 | 0 | 0 | 0 | 111.1 | C146 I309 L313 S330 L331 Y337 S338 F344 I348 | C146-I334 HydrophobicContact CB-CG1 4.41Å; I309-I334 HydrophobicContact CG2-CD1 3.83Å; L313-I334 HydrophobicContact CD1-CD1 3.62Å; S330-I334 WeakPolarHBondContact O-CG1 3.31Å; S330-I334 PolarHBondContact O-N 3.04Å; L331-I334 HydrophobicContact CD2-CD1 4.24Å; L331-I334 PolarHBondContact O-N 3.16Å; I334-Y337 WeakPolarHBondContact O-CB 3.38Å; I334-Y337 PolarHBondContact O-N 3.17Å; I334-S338 PolarHBondContact O-N 2.93Å; I334-F344 HydrophobicContact CG2-CE1 3.98Å; I334-F344 HydrophobicContact CG2-CZ 4.04Å; I334-I348 HydrophobicContact CG2-CD1 3.56Å |
| 335 | A | 84.2 | Confident | 82.8 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L331 L332 Y337 S338 L412 I415 A416 | L331-A335 WeakPolarHBondContact O-CB 3.38Å; L331-A335 PolarHBondContact O-N 3.24Å; L332-A335 PolarHBondContact O-N 2.97Å; A335-Y337 PolarHBondContact O-N 3.48Å; A335-S338 WeakPolarHBondContact O-CB 3.42Å; A335-S338 PolarHBondContact O-N 3.18Å; A335-S338 VanDerWaalsContact O-N 3.11Å; A335-S338 PolarHBondContact O-OG 3.19Å; A335-L412 HydrophobicContact CB-CD1 3.57Å; A335-I415 HydrophobicContact CB-CG2 4.12Å; A335-A416 HydrophobicContact CB-CB 3.93Å |
| 336 | A | 84.6 | Confident | 82.5 | Confident | 30 Ų | 30 | 44 Ų | 44 | 25% | 0.248 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.9 | -26.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L332 L333 I415 | L332-A336 WeakPolarHBondContact O-CB 3.36Å; L332-A336 PolarHBondContact O-N 3.06Å; L333-A336 PolarHBondContact O-N 3.43Å; A336-I415 HydrophobicContact CB-CG2 3.74Å |
| 337 | Y | 81.9 | Confident | 81.7 | Confident | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73.2 | -41.5 | 170.1 | -179.2 | -82.9 | 0 | 0 | 0 | 111.5 | L149 F153 R192 L333 I334 A335 L339 R340 D341 F344 | L149-Y337 HydrophobicContact CB-CD2 4.09Å; L149-Y337 HydrophobicContact CB-CE2 4.21Å; L149-Y337 HydrophobicContact CD2-CE2 4.39Å; L149-Y337 WeakPolarHBondContact O-CD2 3.35Å; F153-Y337 HydrophobicContact CD2-CD2 4.41Å; F153-Y337 AromaticContact CD2-CE2 3.61Å; F153-Y337 HydrophobicContact CD2-CE2 3.61Å; F153-Y337 AromaticContact CE2-CE2 3.64Å; F153-Y337 HydrophobicContact CE2-CE2 3.64Å; F153-Y337 AromaticContact CE2-CZ 3.87Å; F153-Y337 WeakPolarHBondContact CE2-OH 3.41Å; R192-Y337 WeakPolarHBondContact CD-OH 3.23Å; R192-Y337 PolarHBondContact NE-OH 3.19Å; R192-Y337 VanDerWaalsContact NE-OH 3.16Å; L333-Y337 WeakPolarHBondContact O-CB 3.34Å; L333-Y337 PolarHBondContact O-N 3.23Å; I334-Y337 WeakPolarHBondContact O-CB 3.38Å; I334-Y337 PolarHBondContact O-N 3.17Å; A335-Y337 PolarHBondContact O-N 3.48Å; Y337-L339 PolarHBondContact O-N 3.29Å; Y337-R340 WeakPolarHBondContact O-CB 3.44Å; Y337-R340 PolarHBondContact O-N 3.29Å; Y337-D341 HydrophobicContact CD1-CB 4.39Å; Y337-D341 HydrophobicContact CE1-CB 3.66Å; Y337-D341 PolarHBondContact OH-OD2 3.1Å; Y337-F344 AromaticContact CD1-CD1 3.55Å; Y337-F344 HydrophobicContact CD1-CD1 3.55Å; Y337-F344 HydrophobicContact CD1-CD2 4.24Å; Y337-F344 AromaticContact CD1-CE1 3.47Å; Y337-F344 HydrophobicContact CD1-CE1 3.47Å; Y337-F344 VanDerWaalsContact CD1-CE1 3.47Å; Y337-F344 HydrophobicContact CD1-CE2 4.2Å; Y337-F344 AromaticContact CD1-CG 3.94Å; Y337-F344 HydrophobicContact CD1-CG 3.94Å; Y337-F344 AromaticContact CD1-CZ 3.82Å; Y337-F344 HydrophobicContact CD1-CZ 3.82Å; Y337-F344 HydrophobicContact CE1-CB 4.11Å; Y337-F344 AromaticContact CE1-CD1 3.78Å; Y337-F344 HydrophobicContact CE1-CD1 3.78Å; Y337-F344 AromaticContact CE1-CD2 3.79Å; Y337-F344 HydrophobicContact CE1-CD2 3.79Å; Y337-F344 HydrophobicContact CE1-CE1 4.02Å; Y337-F344 HydrophobicContact CE1-CE2 4.05Å; Y337-F344 AromaticContact CE1-CG 3.65Å; Y337-F344 HydrophobicContact CE1-CG 3.65Å; Y337-F344 HydrophobicContact CE1-CZ 4.16Å; Y337-F344 HydrophobicContact CG-CE1 4.49Å |
| 338 | S | 83.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.4 | -22.9 | -178.4 | 76.4 | 0 | 0 | 0 | 0 | 114.7 | I334 A335 R340 H417 | I334-S338 PolarHBondContact O-N 2.93Å; A335-S338 WeakPolarHBondContact O-CB 3.42Å; A335-S338 PolarHBondContact O-N 3.18Å; A335-S338 VanDerWaalsContact O-N 3.11Å; A335-S338 PolarHBondContact O-OG 3.19Å; S338-R340 PolarHBondContact O-N 3.18Å; S338-H417 WeakPolarHBondContact O-CB 3.16Å; S338-H417 PolarHBondContact OG-N 2.92Å; S338-H417 VanDerWaalsContact OG-N 3.07Å |
| 339 | L | 81 | Confident | 80.5 | Confident | 97 Ų | 97 | 42.8 Ų | 42.8 | 51% | 0.508 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -8.8 | 171.9 | -74.9 | 173.9 | 0 | 0 | 0 | 114.4 | Y337 I415 H417 | Y337-L339 PolarHBondContact O-N 3.29Å; L339-I415 WeakPolarHBondContact CD1-O 3.26Å; L339-I415 WeakPolarHBondContact CG-O 3.49Å; L339-H417 HydrophobicContact CD2-CB 4.46Å |
| 340 | R | 76.5 | Confident | 79.7 | Confident | 126 Ų | 126 | 44.9 Ų | 44.9 | 48% | 0.475 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -14.2 | -173.1 | -54.5 | 178.7 | 178.1 | -112.9 | -8.3 | 113.9 | F153 Y337 S338 | F153-R340 PolarHBondContact O-NH1 3.1Å; Y337-R340 WeakPolarHBondContact O-CB 3.44Å; Y337-R340 PolarHBondContact O-N 3.29Å; S338-R340 PolarHBondContact O-N 3.18Å |
| 341 | D | 74.5 | Confident | 78.7 | Confident | 19 Ų | 19 | 51 Ų | 51 | 10% | 0.102 | 25% | 0.245 | C | C | . | . | trans | -138.9 | 95.1 | -172.3 | -170.7 | -41.2 | 0 | 0 | 0 | 107.4 | R192 Y337 E343 F344 S345 | R192-D341 WeakPolarHBondContact CD-OD2 3.3Å; R192-D341 IonicContact CZ-OD2 2.83Å; R192-D341 IonicContact NE-OD2 2.66Å; R192-D341 IonicContact NH1-OD2 2.59Å; R192-D341 PolarHBondContact NH1-OD2 2.98Å; Y337-D341 HydrophobicContact CD1-CB 4.39Å; Y337-D341 HydrophobicContact CE1-CB 3.66Å; Y337-D341 PolarHBondContact OH-OD2 3.1Å; D341-E343 VanDerWaalsContact C-N 3.32Å; D341-E343 PolarHBondContact O-N 3.39Å; D341-E343 PolarHBondContact OD1-N 2.96Å; D341-F344 HydrophobicContact CB-CB 3.81Å; D341-F344 VanDerWaalsContact CG-CB 3.47Å; D341-F344 PolarHBondContact O-N 3.05Å; D341-F344 VanDerWaalsContact OD1-CB 3.22Å; D341-F344 WeakPolarHBondContact OD1-CB 3.31Å; D341-F344 PolarHBondContact OD1-N 2.94Å; D341-S345 PolarHBondContact O-N 3.35Å | ||
| 342 | E | 76.9 | Confident | 78 | Confident | 147 Ų | 147 | 51.5 Ų | 51.5 | 69% | 0.687 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.6 | -35.5 | -174.6 | -71 | -170.4 | -175.1 | 0 | 0 | 111.9 | S345 H346 | E342-S345 WeakPolarHBondContact O-CB 3.49Å; E342-S345 PolarHBondContact O-N 3.44Å; E342-S345 PolarHBondContact O-OG 3.39Å; E342-H346 WeakPolarHBondContact O-CB 3.39Å; E342-H346 PolarHBondContact O-N 3.29Å |
| 343 | E | 69.4 | Low | 77.5 | Confident | 140 Ų | 140 | 52.2 Ų | 52.2 | 65% | 0.654 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.6 | -44.1 | 177.9 | -63.8 | -169.4 | 165.3 | 0 | 0 | 111.4 | D341 S345 H346 S347 | D341-E343 VanDerWaalsContact C-N 3.32Å; D341-E343 PolarHBondContact O-N 3.39Å; D341-E343 PolarHBondContact OD1-N 2.96Å; E343-S345 VanDerWaalsContact C-N 3.32Å; E343-H346 PolarHBondContact O-N 3.07Å; E343-S347 VanDerWaalsContact O-CB 3.23Å; E343-S347 WeakPolarHBondContact O-CB 3.48Å; E343-S347 PolarHBondContact O-N 3.32Å; E343-S347 PolarHBondContact O-OG 2.99Å |
| 344 | F | 75.9 | Confident | 77.4 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 6% | 0.057 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.2 | -43.3 | 169.9 | -178.4 | -89.5 | 0 | 0 | 0 | 111.1 | M196 I334 Y337 D341 S347 I348 | M196-F344 HydrophobicContact CG-CD2 3.95Å; M196-F344 HydrophobicContact CG-CE2 4.4Å; M196-F344 HydrophobicContact SD-CD2 3.34Å; M196-F344 WeakPolarHBondContact SD-CD2 3.19Å; M196-F344 HydrophobicContact SD-CE2 3.43Å; M196-F344 WeakPolarHBondContact SD-CE2 3.41Å; M196-F344 HydrophobicContact SD-CG 3.98Å; M196-F344 HydrophobicContact SD-CZ 4.15Å; I334-F344 HydrophobicContact CG2-CE1 3.98Å; I334-F344 HydrophobicContact CG2-CZ 4.04Å; Y337-F344 AromaticContact CD1-CD1 3.55Å; Y337-F344 HydrophobicContact CD1-CD1 3.55Å; Y337-F344 HydrophobicContact CD1-CD2 4.24Å; Y337-F344 AromaticContact CD1-CE1 3.47Å; Y337-F344 HydrophobicContact CD1-CE1 3.47Å; Y337-F344 VanDerWaalsContact CD1-CE1 3.47Å; Y337-F344 HydrophobicContact CD1-CE2 4.2Å; Y337-F344 AromaticContact CD1-CG 3.94Å; Y337-F344 HydrophobicContact CD1-CG 3.94Å; Y337-F344 AromaticContact CD1-CZ 3.82Å; Y337-F344 HydrophobicContact CD1-CZ 3.82Å; Y337-F344 HydrophobicContact CE1-CB 4.11Å; Y337-F344 AromaticContact CE1-CD1 3.78Å; Y337-F344 HydrophobicContact CE1-CD1 3.78Å; Y337-F344 AromaticContact CE1-CD2 3.79Å; Y337-F344 HydrophobicContact CE1-CD2 3.79Å; Y337-F344 HydrophobicContact CE1-CE1 4.02Å; Y337-F344 HydrophobicContact CE1-CE2 4.05Å; Y337-F344 AromaticContact CE1-CG 3.65Å; Y337-F344 HydrophobicContact CE1-CG 3.65Å; Y337-F344 HydrophobicContact CE1-CZ 4.16Å; Y337-F344 HydrophobicContact CG-CE1 4.49Å; D341-F344 HydrophobicContact CB-CB 3.81Å; D341-F344 VanDerWaalsContact CG-CB 3.47Å; D341-F344 PolarHBondContact O-N 3.05Å; D341-F344 VanDerWaalsContact OD1-CB 3.22Å; D341-F344 WeakPolarHBondContact OD1-CB 3.31Å; D341-F344 PolarHBondContact OD1-N 2.94Å; F344-S347 PolarHBondContact O-N 2.77Å; F344-I348 HydrophobicContact CD1-CD1 3.83Å; F344-I348 HydrophobicContact CD1-CG1 4.43Å; F344-I348 HydrophobicContact CE1-CD1 3.29Å; F344-I348 HydrophobicContact CE1-CG1 4.24Å; F344-I348 HydrophobicContact CZ-CD1 3.78Å; F344-I348 PolarHBondContact O-N 3.49Å |
| 345 | S | 79.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 179.5 | 90.3 | 0 | 0 | 0 | 0 | 113.3 | D341 E342 E343 S347 A349 H417 | D341-S345 PolarHBondContact O-N 3.35Å; E342-S345 WeakPolarHBondContact O-CB 3.49Å; E342-S345 PolarHBondContact O-N 3.44Å; E342-S345 PolarHBondContact O-OG 3.39Å; E343-S345 VanDerWaalsContact C-N 3.32Å; S345-S347 VanDerWaalsContact C-N 3.31Å; S345-A349 WeakPolarHBondContact O-CB 3.49Å; S345-A349 PolarHBondContact O-N 2.96Å; S345-A349 VanDerWaalsContact O-N 3.11Å; S345-H417 WeakPolarHBondContact CB-ND1 3.48Å; S345-H417 PolarHBondContact OG-CE1 3.39Å; S345-H417 PolarHBondContact OG-ND1 2.92Å |
| 346 | H | 78.2 | Confident | 77.3 | Confident | 92 Ų | 92 | 52.2 Ų | 52.2 | 43% | 0.426 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 175.4 | -177.5 | 92 | 0 | 0 | 0 | 110.1 | E342 E343 A349 K350 L419 | E342-H346 WeakPolarHBondContact O-CB 3.39Å; E342-H346 PolarHBondContact O-N 3.29Å; E343-H346 PolarHBondContact O-N 3.07Å; H346-A349 PolarHBondContact O-N 2.85Å; H346-K350 VanDerWaalsContact NE2-CD 3.34Å; H346-K350 WeakPolarHBondContact NE2-CD 3.26Å; H346-K350 WeakPolarHBondContact O-CB 3.36Å; H346-K350 PolarHBondContact O-N 2.8Å; H346-K350 VanDerWaalsContact O-N 3.16Å; H346-L419 HydrophobicContact CB-CD1 4.42Å |
| 347 | S | 69.8 | Low | 77.4 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 178.9 | -60.3 | 0 | 0 | 0 | 0 | 112 | M196 E343 F344 S345 K350 Y351 | M196-S347 VanDerWaalsContact CE-C 3.49Å; E343-S347 VanDerWaalsContact O-CB 3.23Å; E343-S347 WeakPolarHBondContact O-CB 3.48Å; E343-S347 PolarHBondContact O-N 3.32Å; E343-S347 PolarHBondContact O-OG 2.99Å; F344-S347 PolarHBondContact O-N 2.77Å; S345-S347 VanDerWaalsContact C-N 3.31Å; S347-K350 PolarHBondContact O-N 3.19Å; S347-Y351 WeakPolarHBondContact O-CB 3.3Å; S347-Y351 PolarHBondContact O-N 3.08Å |
| 348 | I | 76.9 | Confident | 77.6 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.3 | -50.6 | 173.7 | -73.2 | -179.9 | 0 | 0 | 0 | 109.9 | M196 I334 F344 K350 S352 I354 I420 | M196-I348 HydrophobicContact CE-CB 4.22Å; M196-I348 HydrophobicContact CE-CG1 3.42Å; M196-I348 VanDerWaalsContact CE-CG1 3.42Å; M196-I348 VanDerWaalsContact CE-N 3.34Å; M196-I348 HydrophobicContact SD-CG1 3.98Å; I334-I348 HydrophobicContact CG2-CD1 3.56Å; F344-I348 HydrophobicContact CD1-CD1 3.83Å; F344-I348 HydrophobicContact CD1-CG1 4.43Å; F344-I348 HydrophobicContact CE1-CD1 3.29Å; F344-I348 HydrophobicContact CE1-CG1 4.24Å; F344-I348 HydrophobicContact CZ-CD1 3.78Å; F344-I348 PolarHBondContact O-N 3.49Å; I348-K350 PolarHBondContact O-N 3.26Å; I348-K350 VanDerWaalsContact O-N 3.09Å; I348-S352 PolarHBondContact O-N 3.32Å; I348-I354 HydrophobicContact CG2-CG2 4.04Å; I348-I420 HydrophobicContact CB-CD1 3.9Å; I348-I420 HydrophobicContact CB-CG1 4.29Å; I348-I420 HydrophobicContact CD1-CD1 4.14Å; I348-I420 HydrophobicContact CG2-CD1 3.79Å; I348-I420 HydrophobicContact CG2-CG1 4.04Å |
| 349 | A | 76.1 | Confident | 77.7 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 24% | 0.24 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.6 | -13.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | S345 H346 L419 I420 C423 | S345-A349 WeakPolarHBondContact O-CB 3.49Å; S345-A349 PolarHBondContact O-N 2.96Å; S345-A349 VanDerWaalsContact O-N 3.11Å; H346-A349 PolarHBondContact O-N 2.85Å; A349-L419 HydrophobicContact CB-CB 4.46Å; A349-I420 HydrophobicContact CB-CG1 4.26Å; A349-C423 HydrophobicContact CB-CB 4.29Å |
| 350 | K | 72 | Confident | 78 | Confident | 122 Ų | 122 | 50.8 Ų | 50.8 | 53% | 0.53 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -118.1 | -33.1 | -173.9 | -175.8 | 178.8 | 175.4 | -164.4 | 0 | 114.6 | H346 S347 I348 | H346-K350 VanDerWaalsContact NE2-CD 3.34Å; H346-K350 WeakPolarHBondContact NE2-CD 3.26Å; H346-K350 WeakPolarHBondContact O-CB 3.36Å; H346-K350 PolarHBondContact O-N 2.8Å; H346-K350 VanDerWaalsContact O-N 3.16Å; S347-K350 PolarHBondContact O-N 3.19Å; I348-K350 PolarHBondContact O-N 3.26Å; I348-K350 VanDerWaalsContact O-N 3.09Å |
| 351 | Y | 65.8 | Low | 78.3 | Confident | 129 Ų | 129 | 45 Ų | 45 | 51% | 0.506 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -114.2 | -23.7 | -173.1 | -59.7 | -69.1 | 0 | 0 | 0 | 114.4 | V198 S347 | V198-Y351 HydrophobicContact CG2-CD2 4.02Å; V198-Y351 HydrophobicContact CG2-CE2 4.42Å; V198-Y351 HydrophobicContact CG2-CG 4.49Å; S347-Y351 WeakPolarHBondContact O-CB 3.3Å; S347-Y351 PolarHBondContact O-N 3.08Å |
| 352 | S | 72.9 | Confident | 78.9 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | trans | -89.7 | 142.3 | 178.6 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | C310 D311 I348 I354 | C310-S352 VanDerWaalsContact CB-OG 3.29Å; C310-S352 WeakPolarHBondContact CB-OG 3.43Å; D311-S352 PolarHBondContact OD1-OG 3.34Å; D311-S352 PolarHBondContact OD2-OG 3.24Å; I348-S352 PolarHBondContact O-N 3.32Å; S352-I354 PolarHBondContact O-N 3.5Å; S352-I354 WeakPolarHBondContact OG-CG2 3.43Å; S352-I354 PolarHBondContact OG-N 2.87Å | ||
| 353 | S | 77.8 | Confident | 79.2 | Confident | 54 Ų | 54 | 37.4 Ų | 37.4 | 38% | 0.378 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -72.6 | -13 | 176.5 | 73.6 | 0 | 0 | 0 | 0 | 113.6 | D311 C355 A356 V357 | D311-S353 WeakPolarHBondContact OD1-CB 3.5Å; D311-S353 PolarHBondContact OD1-N 2.94Å; D311-S353 PolarHBondContact OD1-OG 2.86Å; S353-C355 VanDerWaalsContact C-N 3.31Å; S353-C355 PolarHBondContact O-N 2.97Å; S353-C355 VanDerWaalsContact O-N 3.09Å; S353-A356 WeakPolarHBondContact O-CA 3.21Å; S353-A356 WeakPolarHBondContact O-CB 3.44Å; S353-A356 PolarHBondContact O-N 3.21Å; S353-V357 PolarHBondContact O-N 3.4Å; S353-V357 WeakPolarHBondContact OG-CG2 3.32Å |
| 354 | I | 83.3 | Confident | 79.9 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.4 | -37.6 | -163.3 | -168.7 | 59.6 | 0 | 0 | 0 | 114.7 | C310 A314 L331 I348 S352 A356 V357 I358 | C310-I354 HydrophobicContact CB-CB 4.03Å; C310-I354 HydrophobicContact CB-CG1 4.37Å; C310-I354 HydrophobicContact CB-CG2 4.11Å; A314-I354 HydrophobicContact CB-CD1 3.99Å; L331-I354 HydrophobicContact CD1-CD1 4.02Å; L331-I354 HydrophobicContact CD2-CD1 4.18Å; L331-I354 HydrophobicContact CD2-CG1 4.1Å; I348-I354 HydrophobicContact CG2-CG2 4.04Å; S352-I354 PolarHBondContact O-N 3.5Å; S352-I354 WeakPolarHBondContact OG-CG2 3.43Å; S352-I354 PolarHBondContact OG-N 2.87Å; I354-A356 VanDerWaalsContact C-N 3.34Å; I354-A356 PolarHBondContact O-N 2.89Å; I354-V357 PolarHBondContact O-N 2.65Å; I354-I358 HydrophobicContact CD1-CD1 4.02Å; I354-I358 HydrophobicContact CD1-CG1 4.09Å; I354-I358 HydrophobicContact CG1-CD1 3.85Å; I354-I358 HydrophobicContact CG1-CG1 4.34Å; I354-I358 WeakPolarHBondContact O-CB 3.5Å; I354-I358 VanDerWaalsContact O-CG1 3.3Å; I354-I358 WeakPolarHBondContact O-CG1 3.42Å; I354-I358 PolarHBondContact O-N 3.35Å |
| 355 | C | 83.4 | Confident | 80.3 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 178.1 | -69 | 0 | 0 | 0 | 0 | 112.4 | S353 A359 L424 C427 | S353-C355 VanDerWaalsContact C-N 3.31Å; S353-C355 PolarHBondContact O-N 2.97Å; S353-C355 VanDerWaalsContact O-N 3.09Å; C355-A359 PolarHBondContact O-N 3.04Å; C355-L424 HydrophobicContact CB-CB 4.32Å; C355-C427 WeakPolarHBondContact O-CB 3.49Å |
| 356 | A | 84.2 | Confident | 80.5 | Confident | 40 Ų | 40 | 37.2 Ų | 37.2 | 33% | 0.331 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -75.9 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S353 I354 A359 T360 I431 | S353-A356 WeakPolarHBondContact O-CA 3.21Å; S353-A356 WeakPolarHBondContact O-CB 3.44Å; S353-A356 PolarHBondContact O-N 3.21Å; I354-A356 VanDerWaalsContact C-N 3.34Å; I354-A356 PolarHBondContact O-N 2.89Å; A356-A359 PolarHBondContact O-N 3.37Å; A356-T360 WeakPolarHBondContact O-CG2 3.3Å; A356-T360 PolarHBondContact O-N 3.28Å; A356-T360 PolarHBondContact O-OG1 3.22Å; A356-I431 HydrophobicContact CB-CD1 4.23Å |
| 357 | V | 85.2 | Confident | 80.8 | Confident | 43 Ų | 43 | 36.5 Ų | 36.5 | 26% | 0.261 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.9 | -38.1 | 178.8 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | A314 S353 I354 T360 G361 | A314-V357 HydrophobicContact CB-CB 4.5Å; A314-V357 HydrophobicContact CB-CG1 4.08Å; S353-V357 PolarHBondContact O-N 3.4Å; S353-V357 WeakPolarHBondContact OG-CG2 3.32Å; I354-V357 PolarHBondContact O-N 2.65Å; V357-T360 WeakPolarHBondContact CA-OG1 3.16Å; V357-T360 PolarHBondContact O-N 3.23Å; V357-T360 PolarHBondContact O-OG1 3.16Å; V357-T360 VanDerWaalsContact O-OG1 3.07Å; V357-G361 PolarHBondContact O-N 3.13Å |
| 358 | I | 86.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -42.3 | 174.3 | -70 | 171.7 | 0 | 0 | 0 | 110.8 | F318 I354 G361 L362 F408 C409 L412 L424 | F318-I358 HydrophobicContact CZ-CB 4.41Å; F318-I358 HydrophobicContact CZ-CG2 4.27Å; F318-I358 WeakPolarHBondContact CZ-O 3.4Å; I354-I358 HydrophobicContact CD1-CD1 4.02Å; I354-I358 HydrophobicContact CD1-CG1 4.09Å; I354-I358 HydrophobicContact CG1-CD1 3.85Å; I354-I358 HydrophobicContact CG1-CG1 4.34Å; I354-I358 WeakPolarHBondContact O-CB 3.5Å; I354-I358 VanDerWaalsContact O-CG1 3.3Å; I354-I358 WeakPolarHBondContact O-CG1 3.42Å; I354-I358 PolarHBondContact O-N 3.35Å; I358-G361 PolarHBondContact O-N 3.24Å; I358-L362 PolarHBondContact O-N 3.16Å; I358-L362 VanDerWaalsContact O-N 3.14Å; I358-F408 HydrophobicContact CD1-CE1 4.11Å; I358-C409 VanDerWaalsContact CG2-SG 3.54Å; I358-L412 HydrophobicContact CD1-CD2 3.53Å; I358-L424 HydrophobicContact CB-CD1 4.05Å; I358-L424 HydrophobicContact CG2-CD1 3.85Å |
| 359 | A | 85.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.5 | -36.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C355 A356 G363 C427 I428 I431 | C355-A359 PolarHBondContact O-N 3.04Å; A356-A359 PolarHBondContact O-N 3.37Å; A359-G363 PolarHBondContact O-N 2.77Å; A359-C427 HydrophobicContact CB-CB 3.83Å; A359-I428 HydrophobicContact CB-CG1 3.97Å; A359-I431 HydrophobicContact CB-CB 4.1Å; A359-I431 HydrophobicContact CB-CD1 3.96Å; A359-I431 HydrophobicContact CB-CG2 4.36Å |
| 360 | T | 85.9 | Confident | 81.6 | Confident | 54 Ų | 54 | 38 Ų | 38 | 33% | 0.331 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -72.1 | -38.2 | 174 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | A356 V357 G363 I364 I431 | A356-T360 WeakPolarHBondContact O-CG2 3.3Å; A356-T360 PolarHBondContact O-N 3.28Å; A356-T360 PolarHBondContact O-OG1 3.22Å; V357-T360 WeakPolarHBondContact CA-OG1 3.16Å; V357-T360 PolarHBondContact O-N 3.23Å; V357-T360 PolarHBondContact O-OG1 3.16Å; V357-T360 VanDerWaalsContact O-OG1 3.07Å; T360-G363 CarbonylContact O-C 3.3Å; T360-G363 WeakPolarHBondContact O-CA 3.27Å; T360-G363 PolarHBondContact O-N 3.27Å; T360-G363 VanDerWaalsContact O-N 3.08Å; T360-I364 WeakPolarHBondContact O-CG1 3.46Å; T360-I364 PolarHBondContact O-N 2.85Å; T360-I431 HydrophobicContact CG2-CD1 4.26Å; T360-I431 HydrophobicContact CG2-CG2 3.71Å |
| 361 | G | 84.1 | Confident | 81.7 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 6% | 0.062 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V357 I358 G363 I364 L365 | V357-G361 PolarHBondContact O-N 3.13Å; I358-G361 PolarHBondContact O-N 3.24Å; G361-G363 PolarHBondContact O-N 2.83Å; G361-I364 PolarHBondContact O-N 3.28Å; G361-I364 VanDerWaalsContact O-N 3.17Å; G361-L365 PolarHBondContact O-N 3.16Å |
| 362 | L | 85.9 | Confident | 81.9 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.9 | -37.5 | 170.7 | -173.1 | 68.4 | 0 | 0 | 0 | 111.8 | I358 Y366 F402 A405 F432 | I358-L362 PolarHBondContact O-N 3.16Å; I358-L362 VanDerWaalsContact O-N 3.14Å; L362-Y366 PolarHBondContact O-N 3.32Å; L362-Y366 VanDerWaalsContact O-N 3.08Å; L362-F402 HydrophobicContact CD1-CD2 4.03Å; L362-F402 HydrophobicContact CD1-CE2 3.52Å; L362-F402 HydrophobicContact CD1-CZ 3.88Å; L362-F402 HydrophobicContact CG-CE2 3.98Å; L362-F402 HydrophobicContact CG-CZ 4.42Å; L362-A405 HydrophobicContact CD1-CB 4.18Å; L362-F432 HydrophobicContact CD2-CD1 3.99Å; L362-F432 HydrophobicContact CD2-CD2 4.33Å; L362-F432 HydrophobicContact CD2-CE1 4.17Å; L362-F432 HydrophobicContact CD2-CG 4.07Å; L362-F432 HydrophobicContact CD2-CZ 4.43Å; L362-F432 HydrophobicContact CG-CD2 4.2Å; L362-F432 HydrophobicContact CG-CE2 4.17Å; L362-F432 HydrophobicContact CG-CG 4.44Å; L362-F432 HydrophobicContact CG-CZ 4.38Å |
| 363 | G | 84.1 | Confident | 82 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A359 T360 G361 Y366 T367 | A359-G363 PolarHBondContact O-N 2.77Å; T360-G363 CarbonylContact O-C 3.3Å; T360-G363 WeakPolarHBondContact O-CA 3.27Å; T360-G363 PolarHBondContact O-N 3.27Å; T360-G363 VanDerWaalsContact O-N 3.08Å; G361-G363 PolarHBondContact O-N 2.83Å; G363-Y366 WeakPolarHBondContact O-CB 3.3Å; G363-Y366 PolarHBondContact O-N 2.83Å; G363-T367 PolarHBondContact O-N 2.83Å; G363-T367 PolarHBondContact O-OG1 3.42Å |
| 364 | I | 84.7 | Confident | 81.6 | Confident | 109 Ų | 109 | 36.5 Ų | 36.5 | 56% | 0.559 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -63.2 | -46 | 177.2 | -69.1 | 162.8 | 0 | 0 | 0 | 110.2 | T360 G361 Y366 T367 A368 | T360-I364 WeakPolarHBondContact O-CG1 3.46Å; T360-I364 PolarHBondContact O-N 2.85Å; G361-I364 PolarHBondContact O-N 3.28Å; G361-I364 VanDerWaalsContact O-N 3.17Å; I364-Y366 VanDerWaalsContact C-N 3.32Å; I364-Y366 PolarHBondContact O-N 3.46Å; I364-T367 WeakPolarHBondContact CA-OG1 3.34Å; I364-T367 CarbonylContact O-C 3.58Å; I364-T367 PolarHBondContact O-N 3.03Å; I364-T367 VanDerWaalsContact O-N 3.07Å; I364-T367 PolarHBondContact O-OG1 2.89Å; I364-A368 PolarHBondContact O-N 3.07Å |
| 365 | L | 83.7 | Confident | 80.9 | Confident | 22 Ų | 22 | 42.6 Ų | 42.6 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.6 | -41.8 | 174.9 | -72.6 | 176.1 | 0 | 0 | 0 | 112 | F318 G361 T367 A368 L369 E401 F402 A405 | F318-L365 HydrophobicContact CD1-CD1 3.76Å; F318-L365 HydrophobicContact CE1-CD1 4.35Å; G361-L365 PolarHBondContact O-N 3.16Å; L365-T367 PolarHBondContact O-N 3.49Å; L365-A368 WeakPolarHBondContact O-CB 3.39Å; L365-A368 PolarHBondContact O-N 2.76Å; L365-A368 VanDerWaalsContact O-N 3.1Å; L365-L369 PolarHBondContact O-N 2.98Å; L365-E401 HydrophobicContact CD2-CB 4.45Å; L365-F402 HydrophobicContact CB-CB 4.4Å; L365-F402 HydrophobicContact CB-CD2 3.97Å; L365-A405 HydrophobicContact CD1-CB 3.55Å |
| 366 | Y | 84.6 | Confident | 80.4 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 7% | 0.071 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 173 | 180 | -93.6 | 0 | 0 | 0 | 112.7 | L362 G363 I364 A368 L369 F432 I436 I437 A440 Y455 F459 | L362-Y366 PolarHBondContact O-N 3.32Å; L362-Y366 VanDerWaalsContact O-N 3.08Å; G363-Y366 WeakPolarHBondContact O-CB 3.3Å; G363-Y366 PolarHBondContact O-N 2.83Å; I364-Y366 VanDerWaalsContact C-N 3.32Å; I364-Y366 PolarHBondContact O-N 3.46Å; Y366-A368 PolarHBondContact O-N 3.43Å; Y366-L369 HydrophobicContact CD2-CD1 4.07Å; Y366-L369 WeakPolarHBondContact O-CB 3.49Å; Y366-L369 PolarHBondContact O-N 2.92Å; Y366-F432 HydrophobicContact CD2-CE2 4.43Å; Y366-F432 HydrophobicContact CD2-CZ 4.44Å; Y366-F432 HydrophobicContact CG-CE2 4.11Å; Y366-I436 HydrophobicContact CD1-CG2 3.42Å; Y366-I436 VanDerWaalsContact CD1-CG2 3.42Å; Y366-I436 HydrophobicContact CE1-CG2 3.82Å; Y366-I436 HydrophobicContact CG-CG2 4.33Å; Y366-I437 HydrophobicContact CD1-CD1 4.29Å; Y366-I437 HydrophobicContact CD2-CD1 4.03Å; Y366-I437 HydrophobicContact CE1-CD1 3.92Å; Y366-I437 HydrophobicContact CE2-CD1 3.63Å; Y366-I437 HydrophobicContact CG-CD1 4.34Å; Y366-A440 HydrophobicContact CE1-CB 4.49Å; Y366-Y455 AromaticContact CE2-CD2 3.89Å; Y366-Y455 HydrophobicContact CE2-CD2 3.89Å; Y366-Y455 HydrophobicContact CE2-CG 4.32Å; Y366-F459 AromaticContact CD2-CE2 3.89Å; Y366-F459 HydrophobicContact CD2-CE2 3.89Å; Y366-F459 AromaticContact CD2-CZ 3.65Å; Y366-F459 HydrophobicContact CD2-CZ 3.65Å; Y366-F459 AromaticContact CE2-CE2 3.73Å; Y366-F459 HydrophobicContact CE2-CE2 3.73Å; Y366-F459 AromaticContact CE2-CZ 3.71Å; Y366-F459 HydrophobicContact CE2-CZ 3.71Å |
| 367 | T | 83.7 | Confident | 80 | Confident | 78 Ų | 78 | 47 Ų | 47 | 48% | 0.479 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.9 | -16.8 | 174.9 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | G363 I364 L365 H371 | G363-T367 PolarHBondContact O-N 2.83Å; G363-T367 PolarHBondContact O-OG1 3.42Å; I364-T367 WeakPolarHBondContact CA-OG1 3.34Å; I364-T367 CarbonylContact O-C 3.58Å; I364-T367 PolarHBondContact O-N 3.03Å; I364-T367 VanDerWaalsContact O-N 3.07Å; I364-T367 PolarHBondContact O-OG1 2.89Å; L365-T367 PolarHBondContact O-N 3.49Å; T367-H371 PolarHBondContact O-CE1 2.99Å; T367-H371 VanDerWaalsContact O-CE1 3.31Å |
| 368 | A | 82 | Confident | 79.4 | Confident | 33 Ų | 33 | 47 Ų | 47 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -8.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I364 L365 Y366 R398 | I364-A368 PolarHBondContact O-N 3.07Å; L365-A368 WeakPolarHBondContact O-CB 3.39Å; L365-A368 PolarHBondContact O-N 2.76Å; L365-A368 VanDerWaalsContact O-N 3.1Å; Y366-A368 PolarHBondContact O-N 3.43Å; A368-R398 VanDerWaalsContact O-CD 3.32Å; A368-R398 WeakPolarHBondContact O-CD 3.24Å; A368-R398 PolarHBondContact O-NH1 3.26Å; A368-R398 VanDerWaalsContact O-NH1 3.14Å |
| 369 | L | 81.9 | Confident | 78.7 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -76.9 | 146.7 | 172.9 | -58.8 | -179.1 | 0 | 0 | 0 | 111.5 | L365 Y366 H371 R398 F399 F402 Y455 | L365-L369 PolarHBondContact O-N 2.98Å; Y366-L369 HydrophobicContact CD2-CD1 4.07Å; Y366-L369 WeakPolarHBondContact O-CB 3.49Å; Y366-L369 PolarHBondContact O-N 2.92Å; L369-H371 PolarHBondContact O-N 3.05Å; L369-H371 VanDerWaalsContact O-N 3.14Å; L369-H371 PolarHBondContact O-ND1 3.1Å; L369-H371 VanDerWaalsContact O-ND1 3.1Å; L369-R398 HydrophobicContact CD2-CB 4.35Å; L369-R398 WeakPolarHBondContact CD2-O 3.27Å; L369-F399 HydrophobicContact CD1-CD2 4.37Å; L369-F399 HydrophobicContact CD2-CB 4.37Å; L369-F399 HydrophobicContact CD2-CD2 4.13Å; L369-F402 HydrophobicContact CD1-CG 4.41Å; L369-Y455 HydrophobicContact CB-CE2 4.16Å; L369-Y455 HydrophobicContact CD1-CE1 4.39Å; L369-Y455 HydrophobicContact CD1-CE2 4.3Å |
| 370 | P | 76.3 | Confident | 77.9 | Confident | 49 Ų | 49 | 54.7 Ų | 54.7 | 32% | 0.318 | 29% | 0.291 | S | S | . | . | trans | -64.1 | 117.2 | 179.7 | 25.9 | -33.4 | 0 | 0 | 0 | 111.3 | R372 L373 T451 Y455 | P370-R372 PolarHBondContact O-N 3.03Å; P370-R372 VanDerWaalsContact O-N 3.16Å; P370-L373 HydrophobicContact CG-CD2 4.01Å; P370-T451 WeakPolarHBondContact O-CG2 3.46Å; P370-Y455 PolarHBondContact O-OH 2.94Å | ||
| 371 | H | 73.4 | Confident | 77.5 | Confident | 108 Ų | 108 | 53 Ų | 53 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -65.4 | -17.8 | -178.3 | -56 | -18 | 0 | 0 | 0 | 113.9 | T367 L369 T451 | T367-H371 PolarHBondContact O-CE1 2.99Å; T367-H371 VanDerWaalsContact O-CE1 3.31Å; L369-H371 PolarHBondContact O-N 3.05Å; L369-H371 VanDerWaalsContact O-N 3.14Å; L369-H371 PolarHBondContact O-ND1 3.1Å; L369-H371 VanDerWaalsContact O-ND1 3.1Å; H371-T451 WeakPolarHBondContact O-CB 3.3Å; H371-T451 VanDerWaalsContact O-CG2 3.26Å; H371-T451 WeakPolarHBondContact O-CG2 3.35Å; H371-T451 PolarHBondContact O-OG1 3.29Å |
| 372 | R | 71.1 | Confident | 77.2 | Confident | 145 Ų | 145 | 52.9 Ų | 52.9 | 55% | 0.547 | 28% | 0.278 | S | S | . | . | trans | -127 | 111.5 | 176.6 | -64.7 | -177.3 | -179.9 | -178.2 | -4.8 | 110.6 | P370 D448 | P370-R372 PolarHBondContact O-N 3.03Å; P370-R372 VanDerWaalsContact O-N 3.16Å; R372-D448 WeakPolarHBondContact CG-OD1 3.47Å; R372-D448 IonicContact CZ-OD1 3.24Å; R372-D448 IonicContact CZ-OD2 2.78Å; R372-D448 IonicContact NE-OD1 2.71Å; R372-D448 PolarHBondContact NE-OD1 3Å; R372-D448 IonicContact NE-OD2 3.66Å; R372-D448 PolarHBondContact NE-OD2 2.94Å; R372-D448 IonicContact NH2-OD1 3.81Å; R372-D448 IonicContact NH2-OD2 3.82Å; R372-D448 PolarHBondContact NH2-OD2 2.93Å | ||
| 373 | L | 73.7 | Confident | 76.4 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -91.7 | -13 | 169.7 | -69.9 | 174.9 | 0 | 0 | 0 | 113.1 | P370 L389 T451 V454 Y455 | P370-L373 HydrophobicContact CG-CD2 4.01Å; L373-L389 HydrophobicContact CD1-CD2 3.73Å; L373-L389 HydrophobicContact CD1-CG 4.41Å; L373-T451 HydrophobicContact CB-CG2 4.25Å; L373-T451 HydrophobicContact CD1-CG2 3.98Å; L373-T451 HydrophobicContact CG-CG2 3.75Å; L373-T451 PolarHBondContact N-OG1 2.9Å; L373-V454 HydrophobicContact CD1-CG1 4.17Å; L373-Y455 HydrophobicContact CD1-CE1 3.95Å |
| 374 | V | 70.8 | Confident | 75.8 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | trans | -145.6 | 141.6 | -175.6 | 166.3 | 0 | 0 | 0 | 0 | 111.2 | N376 T381 L385 L568 | V374-N376 VanDerWaalsContact CG1-N 3.34Å; V374-N376 WeakPolarHBondContact CG1-O 3.42Å; V374-T381 HydrophobicContact CB-CG2 4.48Å; V374-T381 HydrophobicContact CG1-CG2 3.78Å; V374-T381 HydrophobicContact CG2-CG2 3.81Å; V374-L385 HydrophobicContact CG2-CB 3.93Å; V374-L385 HydrophobicContact CG2-CD1 3.84Å; V374-L385 HydrophobicContact CG2-CG 4.28Å; V374-L568 HydrophobicContact CB-CD2 4.24Å; V374-L568 HydrophobicContact CG1-CD2 3.66Å; V374-L568 HydrophobicContact CG2-CD2 4.22Å | ||
| 375 | N | 67.8 | Low | 75.3 | Confident | 137 Ų | 137 | 51.6 Ų | 51.6 | 73% | 0.733 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -95.3 | -18 | 179.4 | -57.7 | 3 | 0 | 0 | 0 | 113.7 | ||
| 376 | N | 73.4 | Confident | 74.9 | Confident | 103 Ų | 103 | 51.7 Ų | 51.7 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | trans | -132.6 | 125.3 | -171.3 | -62.4 | 9.5 | 0 | 0 | 0 | 111.6 | V374 S378 T381 | V374-N376 VanDerWaalsContact CG1-N 3.34Å; V374-N376 WeakPolarHBondContact CG1-O 3.42Å; N376-S378 WeakPolarHBondContact CB-OG 3.24Å; N376-S378 PolarHBondContact O-N 3.28Å; N376-T381 PolarHBondContact O-OG1 2.88Å | ||
| 377 | N | 75.8 | Confident | 74.1 | Confident | 36 Ų | 36 | 55.4 Ų | 55.4 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | trans | -70.4 | 16.7 | 175.6 | -55 | -52.2 | 0 | 0 | 0 | 115 | P446 E447 I450 L568 | N377-P446 VanDerWaalsContact ND2-CG 3.3Å; N377-P446 WeakPolarHBondContact ND2-CG 3.08Å; N377-E447 PolarHBondContact ND2-OE1 2.86Å; N377-E447 PolarHBondContact OD1-OE1 3.34Å; N377-I450 WeakPolarHBondContact OD1-CD1 3.35Å; N377-L568 WeakPolarHBondContact O-CB 3.26Å; N377-L568 PolarHBondContact O-N 2.81Å | ||
| 378 | S | 72.8 | Confident | 73.3 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | trans | -68.1 | 134.4 | 178.9 | 38.7 | 0 | 0 | 0 | 0 | 111.6 | N376 E380 T381 | N376-S378 WeakPolarHBondContact CB-OG 3.24Å; N376-S378 PolarHBondContact O-N 3.28Å; S378-E380 PolarHBondContact O-N 2.79Å; S378-E380 VanDerWaalsContact O-N 3.17Å; S378-T381 WeakPolarHBondContact O-CB 3.12Å; S378-T381 PolarHBondContact O-N 2.95Å; S378-T381 PolarHBondContact O-OG1 3.28Å; S378-T381 PolarHBondContact OG-OG1 3.28Å | ||
| 379 | P | 71.2 | Confident | 72.7 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -64.2 | -22.6 | -179.9 | 27.2 | -36 | 0 | 0 | 0 | 113 | T381 W382 I571 C1456 Y1458 | P379-T381 PolarHBondContact O-N 3.07Å; P379-W382 PolarHBondContact O-N 2.92Å; P379-I571 HydrophobicContact CB-CD1 3.38Å; P379-C1456 HydrophobicContact CB-CB 4.31Å; P379-C1456 HydrophobicContact CG-CB 4.44Å; P379-Y1458 WeakPolarHBondContact O-CD2 3.26Å; P379-Y1458 WeakPolarHBondContact O-CE2 3.36Å |
| 380 | E | 69.6 | Low | 72 | Confident | 129 Ų | 129 | 55 Ų | 55 | 60% | 0.603 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -65.2 | -19.1 | 174.4 | -59.9 | -170.5 | -171.7 | 0 | 0 | 113.7 | S378 W382 P383 | S378-E380 PolarHBondContact O-N 2.79Å; S378-E380 VanDerWaalsContact O-N 3.17Å; E380-W382 VanDerWaalsContact C-N 3.29Å; E380-W382 PolarHBondContact O-N 3.3Å; E380-P383 WeakPolarHBondContact O-CD 3.46Å |
| 381 | T | 76.3 | Confident | 71.2 | Confident | 20 Ų | 20 | 56 Ų | 56 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -75.7 | -15.1 | 178.4 | -33.8 | 0 | 0 | 0 | 0 | 112.6 | V374 N376 S378 P379 I384 L385 | V374-T381 HydrophobicContact CB-CG2 4.48Å; V374-T381 HydrophobicContact CG1-CG2 3.78Å; V374-T381 HydrophobicContact CG2-CG2 3.81Å; N376-T381 PolarHBondContact O-OG1 2.88Å; S378-T381 WeakPolarHBondContact O-CB 3.12Å; S378-T381 PolarHBondContact O-N 2.95Å; S378-T381 PolarHBondContact O-OG1 3.28Å; S378-T381 PolarHBondContact OG-OG1 3.28Å; P379-T381 PolarHBondContact O-N 3.07Å; T381-I384 HydrophobicContact CG2-CB 4.25Å; T381-I384 CarbonylContact O-C 3.42Å; T381-I384 WeakPolarHBondContact O-CA 3.46Å; T381-I384 WeakPolarHBondContact O-CB 3.41Å; T381-I384 PolarHBondContact O-N 3.04Å; T381-L385 PolarHBondContact O-N 2.83Å |
| 382 | W | 77.8 | Confident | 70.5 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55 | -47.5 | -172.8 | 179.7 | -111.3 | 0 | 0 | 0 | 114.6 | P379 E380 I384 L385 I386 V454 L568 I571 T572 Y1462 Y1563 | P379-W382 PolarHBondContact O-N 2.92Å; E380-W382 VanDerWaalsContact C-N 3.29Å; E380-W382 PolarHBondContact O-N 3.3Å; W382-I384 VanDerWaalsContact C-N 3.27Å; W382-I384 PolarHBondContact O-N 3.32Å; W382-L385 HydrophobicContact CE3-CD1 4.35Å; W382-L385 HydrophobicContact CE3-CD2 3.72Å; W382-L385 HydrophobicContact CH2-CD2 4.1Å; W382-L385 HydrophobicContact CZ3-CD1 4.33Å; W382-L385 HydrophobicContact CZ3-CD2 3.44Å; W382-L385 VanDerWaalsContact CZ3-CD2 3.44Å; W382-L385 PolarHBondContact O-N 2.93Å; W382-I386 HydrophobicContact CD2-CD1 4.35Å; W382-I386 HydrophobicContact CD2-CG1 4.43Å; W382-I386 HydrophobicContact CH2-CG1 4.46Å; W382-I386 HydrophobicContact CZ2-CD1 3.67Å; W382-I386 HydrophobicContact CZ2-CG1 3.93Å; W382-I386 VanDerWaalsContact NE1-CD1 3.31Å; W382-I386 PolarHBondContact O-N 3.38Å; W382-V454 HydrophobicContact CZ3-CG2 4.5Å; W382-L568 HydrophobicContact CB-CD1 3.77Å; W382-L568 HydrophobicContact CD2-CD1 4.5Å; W382-L568 HydrophobicContact CE3-CD1 3.84Å; W382-I571 HydrophobicContact CB-CG2 4.28Å; W382-I571 HydrophobicContact CD2-CG2 3.59Å; W382-I571 HydrophobicContact CE3-CG2 4.07Å; W382-I571 HydrophobicContact CG-CG2 3.66Å; W382-T572 HydrophobicContact CH2-CG2 4.49Å; W382-T572 HydrophobicContact CZ3-CG2 4.08Å; W382-T572 VanDerWaalsContact CZ3-OG1 3.25Å; W382-T572 WeakPolarHBondContact CZ3-OG1 3.23Å; W382-Y1462 HydrophobicContact CZ2-CE2 4.4Å; W382-Y1462 WeakPolarHBondContact CZ2-OH 3.36Å; W382-Y1462 AromaticContact NE1-CE2 3.69Å; W382-Y1462 AromaticContact NE1-CZ 3.93Å; W382-Y1462 PolarHBondContact NE1-OH 3.49Å; W382-Y1563 PolarHBondContact NE1-OH 3.13Å; W382-Y1563 VanDerWaalsContact NE1-OH 3.16Å |
| 383 | P | 69.9 | Low | 69.8 | Low | 7 Ų | 7 | 48 Ų | 48 | 5% | 0.045 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73.8 | -19.2 | 177.3 | -12.1 | 28.4 | 0 | 0 | 0 | 113.2 | E380 R387 Y1458 Y1551 | E380-P383 WeakPolarHBondContact O-CD 3.46Å; P383-R387 VanDerWaalsContact O-CB 3.26Å; P383-R387 WeakPolarHBondContact O-CB 3.38Å; P383-R387 PolarHBondContact O-N 2.69Å; P383-Y1458 HydrophobicContact CG-CE1 3.83Å; P383-Y1458 VanDerWaalsContact CG-OH 3.24Å; P383-Y1458 WeakPolarHBondContact CG-OH 3.32Å; P383-Y1551 HydrophobicContact CB-CE1 3.91Å; P383-Y1551 HydrophobicContact CG-CE1 4.46Å |
| 384 | I | 71.1 | Confident | 68.7 | Low | 78 Ų | 78 | 53.9 Ų | 53.9 | 40% | 0.4 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.8 | -48.2 | 171.3 | -54.2 | 179.8 | 0 | 0 | 0 | 108.4 | T381 W382 R387 T388 Y1551 | T381-I384 HydrophobicContact CG2-CB 4.25Å; T381-I384 CarbonylContact O-C 3.42Å; T381-I384 WeakPolarHBondContact O-CA 3.46Å; T381-I384 WeakPolarHBondContact O-CB 3.41Å; T381-I384 PolarHBondContact O-N 3.04Å; W382-I384 VanDerWaalsContact C-N 3.27Å; W382-I384 PolarHBondContact O-N 3.32Å; I384-R387 CarbonylContact O-C 3.53Å; I384-R387 PolarHBondContact O-N 3.32Å; I384-R387 VanDerWaalsContact O-N 3.17Å; I384-T388 WeakPolarHBondContact O-CB 3Å; I384-T388 PolarHBondContact O-N 2.75Å; I384-T388 PolarHBondContact O-OG1 3.17Å; I384-Y1551 WeakPolarHBondContact CG1-OH 3.43Å |
| 385 | L | 74.3 | Confident | 68 | Low | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 174.8 | 170.8 | 161.1 | 0 | 0 | 0 | 111.8 | V374 T381 W382 R387 T388 L389 I450 V454 L568 | V374-L385 HydrophobicContact CG2-CB 3.93Å; V374-L385 HydrophobicContact CG2-CD1 3.84Å; V374-L385 HydrophobicContact CG2-CG 4.28Å; T381-L385 PolarHBondContact O-N 2.83Å; W382-L385 HydrophobicContact CE3-CD1 4.35Å; W382-L385 HydrophobicContact CE3-CD2 3.72Å; W382-L385 HydrophobicContact CH2-CD2 4.1Å; W382-L385 HydrophobicContact CZ3-CD1 4.33Å; W382-L385 HydrophobicContact CZ3-CD2 3.44Å; W382-L385 VanDerWaalsContact CZ3-CD2 3.44Å; W382-L385 PolarHBondContact O-N 2.93Å; L385-R387 VanDerWaalsContact C-N 3.34Å; L385-R387 PolarHBondContact O-N 2.96Å; L385-T388 PolarHBondContact O-N 3.1Å; L385-L389 HydrophobicContact CD2-CD1 3.67Å; L385-L389 HydrophobicContact CG-CD1 4.41Å; L385-L389 WeakPolarHBondContact O-CG 3.46Å; L385-L389 PolarHBondContact O-N 3.37Å; L385-I450 HydrophobicContact CD1-CG2 3.73Å; L385-V454 HydrophobicContact CD1-CG2 3.99Å; L385-V454 HydrophobicContact CD2-CG2 3.8Å; L385-V454 HydrophobicContact CG-CG2 4.29Å; L385-L568 HydrophobicContact CD1-CD2 4.16Å |
| 386 | I | 75.2 | Confident | 67.9 | Low | 24 Ų | 24 | 53 Ų | 53 | 12% | 0.123 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 173.6 | -75.7 | -178.9 | 0 | 0 | 0 | 110.7 | W382 L389 N390 Y1563 | W382-I386 HydrophobicContact CD2-CD1 4.35Å; W382-I386 HydrophobicContact CD2-CG1 4.43Å; W382-I386 HydrophobicContact CH2-CG1 4.46Å; W382-I386 HydrophobicContact CZ2-CD1 3.67Å; W382-I386 HydrophobicContact CZ2-CG1 3.93Å; W382-I386 VanDerWaalsContact NE1-CD1 3.31Å; W382-I386 PolarHBondContact O-N 3.38Å; I386-L389 PolarHBondContact O-N 3.34Å; I386-N390 WeakPolarHBondContact O-CB 3.13Å; I386-N390 PolarHBondContact O-N 3.21Å; I386-N390 PolarHBondContact O-ND2 2.91Å; I386-Y1563 VanDerWaalsContact CD1-OH 3.3Å; I386-Y1563 WeakPolarHBondContact CD1-OH 3.28Å |
| 387 | R | 68 | Low | 67.8 | Low | 97 Ų | 97 | 51 Ų | 51 | 37% | 0.366 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 178.5 | -172.2 | -177.4 | -57.6 | 120.1 | 6.8 | 111.2 | P383 I384 L385 L389 N390 T391 | P383-R387 VanDerWaalsContact O-CB 3.26Å; P383-R387 WeakPolarHBondContact O-CB 3.38Å; P383-R387 PolarHBondContact O-N 2.69Å; I384-R387 CarbonylContact O-C 3.53Å; I384-R387 PolarHBondContact O-N 3.32Å; I384-R387 VanDerWaalsContact O-N 3.17Å; L385-R387 VanDerWaalsContact C-N 3.34Å; L385-R387 PolarHBondContact O-N 2.96Å; R387-L389 VanDerWaalsContact C-N 3.31Å; R387-L389 PolarHBondContact O-N 3.38Å; R387-N390 CarbonylContact O-C 3.58Å; R387-N390 PolarHBondContact O-N 3.14Å; R387-N390 VanDerWaalsContact O-N 3.15Å; R387-T391 HydrophobicContact CG-CG2 4.45Å; R387-T391 PolarHBondContact O-N 2.95Å; R387-T391 PolarHBondContact O-OG1 3.29Å; R387-T391 VanDerWaalsContact O-OG1 3.09Å |
| 388 | T | 67.6 | Low | 67.8 | Low | 42 Ų | 42 | 55.7 Ų | 55.7 | 26% | 0.258 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 177.3 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | I384 L385 T391 N392 | I384-T388 WeakPolarHBondContact O-CB 3Å; I384-T388 PolarHBondContact O-N 2.75Å; I384-T388 PolarHBondContact O-OG1 3.17Å; L385-T388 PolarHBondContact O-N 3.1Å; T388-T391 WeakPolarHBondContact CA-OG1 3.48Å; T388-T391 PolarHBondContact O-N 3.38Å; T388-T391 PolarHBondContact O-OG1 3.07Å; T388-N392 WeakPolarHBondContact O-CB 3.47Å; T388-N392 PolarHBondContact O-N 3.49Å; T388-N392 PolarHBondContact O-ND2 2.66Å; T388-N392 PolarHBondContact O-OD1 3.29Å; T388-N392 VanDerWaalsContact O-OD1 3.13Å |
| 389 | L | 69.4 | Low | 68.1 | Low | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 173.7 | -71.6 | 161.1 | 0 | 0 | 0 | 112.5 | L373 L385 I386 R387 T391 N392 Q393 V454 | L373-L389 HydrophobicContact CD1-CD2 3.73Å; L373-L389 HydrophobicContact CD1-CG 4.41Å; L385-L389 HydrophobicContact CD2-CD1 3.67Å; L385-L389 HydrophobicContact CG-CD1 4.41Å; L385-L389 WeakPolarHBondContact O-CG 3.46Å; L385-L389 PolarHBondContact O-N 3.37Å; I386-L389 PolarHBondContact O-N 3.34Å; R387-L389 VanDerWaalsContact C-N 3.31Å; R387-L389 PolarHBondContact O-N 3.38Å; L389-T391 VanDerWaalsContact C-N 3.27Å; L389-T391 PolarHBondContact O-N 2.88Å; L389-N392 PolarHBondContact O-N 3.42Å; L389-N392 VanDerWaalsContact O-N 3.16Å; L389-Q393 PolarHBondContact O-N 3.17Å; L389-V454 HydrophobicContact CD1-CG1 3.38Å; L389-V454 HydrophobicContact CD1-CG2 4.41Å; L389-V454 HydrophobicContact CD2-CG1 3.49Å; L389-V454 VanDerWaalsContact CD2-CG1 3.49Å; L389-V454 HydrophobicContact CG-CG1 3.98Å |
| 390 | N | 66.9 | Low | 68.4 | Low | 50 Ų | 50 | 54.8 Ų | 54.8 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.7 | -31.6 | 178.9 | -80.1 | -115 | 0 | 0 | 0 | 111.8 | I386 R387 L394 R1562 | I386-N390 WeakPolarHBondContact O-CB 3.13Å; I386-N390 PolarHBondContact O-N 3.21Å; I386-N390 PolarHBondContact O-ND2 2.91Å; R387-N390 CarbonylContact O-C 3.58Å; R387-N390 PolarHBondContact O-N 3.14Å; R387-N390 VanDerWaalsContact O-N 3.15Å; N390-L394 VanDerWaalsContact O-CD1 3.3Å; N390-L394 WeakPolarHBondContact O-CD1 3.3Å; N390-R1562 PolarHBondContact ND2-NH1 3.29Å; N390-R1562 PolarHBondContact OD1-NH1 2.84Å; N390-R1562 PolarHBondContact OD1-NH2 2.95Å |
| 391 | T | 59.6 | Low | 69 | Low | 70 Ų | 70 | 50.6 Ų | 50.6 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -79 | -34.7 | 171.9 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | R387 T388 L389 Q393 L394 A395 | R387-T391 HydrophobicContact CG-CG2 4.45Å; R387-T391 PolarHBondContact O-N 2.95Å; R387-T391 PolarHBondContact O-OG1 3.29Å; R387-T391 VanDerWaalsContact O-OG1 3.09Å; T388-T391 WeakPolarHBondContact CA-OG1 3.48Å; T388-T391 PolarHBondContact O-N 3.38Å; T388-T391 PolarHBondContact O-OG1 3.07Å; L389-T391 VanDerWaalsContact C-N 3.27Å; L389-T391 PolarHBondContact O-N 2.88Å; T391-Q393 VanDerWaalsContact C-N 3.35Å; T391-Q393 PolarHBondContact O-N 3.38Å; T391-L394 CarbonylContact O-C 3.52Å; T391-L394 WeakPolarHBondContact O-CA 3.42Å; T391-L394 PolarHBondContact O-N 3.04Å; T391-A395 WeakPolarHBondContact O-CB 3.47Å; T391-A395 PolarHBondContact O-N 2.89Å |
| 392 | N | 57.3 | Low | 69.4 | Low | 34 Ų | 34 | 49.7 Ų | 49.7 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 178.4 | -73.1 | -1 | 0 | 0 | 0 | 111.6 | T388 L389 L394 A395 N396 | T388-N392 WeakPolarHBondContact O-CB 3.47Å; T388-N392 PolarHBondContact O-N 3.49Å; T388-N392 PolarHBondContact O-ND2 2.66Å; T388-N392 PolarHBondContact O-OD1 3.29Å; T388-N392 VanDerWaalsContact O-OD1 3.13Å; L389-N392 PolarHBondContact O-N 3.42Å; L389-N392 VanDerWaalsContact O-N 3.16Å; N392-L394 PolarHBondContact O-N 3.08Å; N392-A395 PolarHBondContact O-N 3.15Å; N392-N396 HydrophobicContact CB-CB 4.24Å; N392-N396 PolarHBondContact O-N 3.39Å |
| 393 | Q | 56.5 | Low | 69.6 | Low | 50 Ų | 50 | 50.2 Ų | 50.2 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.5 | -27 | 166.9 | -81 | 168.8 | -25.5 | 0 | 0 | 113.3 | L389 T391 F399 N400 | L389-Q393 PolarHBondContact O-N 3.17Å; T391-Q393 VanDerWaalsContact C-N 3.35Å; T391-Q393 PolarHBondContact O-N 3.38Å; Q393-F399 HydrophobicContact CG-CD1 3.96Å; Q393-F399 HydrophobicContact CG-CE1 3.57Å; Q393-N400 PolarHBondContact O-ND2 3.48Å; Q393-N400 PolarHBondContact O-OD1 2.96Å |
| 394 | L | 51.4 | Low | 70.2 | Confident | 152 Ų | 152 | 53 Ų | 53 | 80% | 0.796 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -103.3 | -8.8 | 177.4 | -83.9 | 84.4 | 0 | 0 | 0 | 114.3 | N390 T391 N392 | N390-L394 VanDerWaalsContact O-CD1 3.3Å; N390-L394 WeakPolarHBondContact O-CD1 3.3Å; T391-L394 CarbonylContact O-C 3.52Å; T391-L394 WeakPolarHBondContact O-CA 3.42Å; T391-L394 PolarHBondContact O-N 3.04Å; N392-L394 PolarHBondContact O-N 3.08Å |
| 395 | A | 55.1 | Low | 70.9 | Confident | 83 Ų | 83 | 49.3 Ų | 49.3 | 69% | 0.686 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -137.2 | -17.1 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | T391 N392 | T391-A395 WeakPolarHBondContact O-CB 3.47Å; T391-A395 PolarHBondContact O-N 2.89Å; N392-A395 PolarHBondContact O-N 3.15Å |
| 396 | N | 66.2 | Low | 71.4 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 24% | 0.235 | 27% | 0.268 | C | S | . | . | trans | -108.7 | 104 | 179.8 | -173.1 | 3.1 | 0 | 0 | 0 | 110.3 | N392 R398 F399 | N392-N396 HydrophobicContact CB-CB 4.24Å; N392-N396 PolarHBondContact O-N 3.39Å; N396-R398 VanDerWaalsContact C-N 3.28Å; N396-R398 PolarHBondContact O-N 2.87Å; N396-R398 PolarHBondContact OD1-N 3.29Å; N396-F399 HydrophobicContact CB-CB 4.37Å; N396-F399 WeakPolarHBondContact O-CB 3.43Å; N396-F399 PolarHBondContact O-N 3.37Å | ||
| 397 | A | 71.2 | Confident | 71.9 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 51% | 0.512 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -49.4 | -48.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | F399 N400 E401 | A397-F399 PolarHBondContact O-N 2.91Å; A397-F399 VanDerWaalsContact O-N 3.08Å; A397-N400 CarbonylContact O-C 3.58Å; A397-N400 WeakPolarHBondContact O-CA 3.31Å; A397-N400 PolarHBondContact O-N 2.87Å; A397-E401 WeakPolarHBondContact CB-OE1 3.42Å; A397-E401 WeakPolarHBondContact O-CG 3.35Å; A397-E401 PolarHBondContact O-N 2.98Å |
| 398 | R | 75.6 | Confident | 72.9 | Confident | 134 Ų | 134 | 47.3 Ų | 47.3 | 51% | 0.506 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.1 | -28.3 | 179.8 | -65.8 | -172.9 | -179 | 178.5 | 2.6 | 115.3 | A368 L369 N396 E401 F402 | A368-R398 VanDerWaalsContact O-CD 3.32Å; A368-R398 WeakPolarHBondContact O-CD 3.24Å; A368-R398 PolarHBondContact O-NH1 3.26Å; A368-R398 VanDerWaalsContact O-NH1 3.14Å; L369-R398 HydrophobicContact CD2-CB 4.35Å; L369-R398 WeakPolarHBondContact CD2-O 3.27Å; N396-R398 VanDerWaalsContact C-N 3.28Å; N396-R398 PolarHBondContact O-N 2.87Å; N396-R398 PolarHBondContact OD1-N 3.29Å; R398-E401 VanDerWaalsContact CA-CD 3.44Å; R398-E401 WeakPolarHBondContact CA-OE1 3.32Å; R398-E401 WeakPolarHBondContact CA-OE2 3.42Å; R398-E401 PolarHBondContact N-OE1 3.31Å; R398-E401 VanDerWaalsContact N-OE1 3.07Å; R398-F402 PolarHBondContact O-N 3.46Å |
| 399 | F | 79.1 | Confident | 73.8 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74.7 | -37.5 | 175.8 | -168.8 | -100.1 | 0 | 0 | 0 | 111.3 | L369 Q393 N396 A397 F402 L403 Y455 | L369-F399 HydrophobicContact CD1-CD2 4.37Å; L369-F399 HydrophobicContact CD2-CB 4.37Å; L369-F399 HydrophobicContact CD2-CD2 4.13Å; Q393-F399 HydrophobicContact CG-CD1 3.96Å; Q393-F399 HydrophobicContact CG-CE1 3.57Å; N396-F399 HydrophobicContact CB-CB 4.37Å; N396-F399 WeakPolarHBondContact O-CB 3.43Å; N396-F399 PolarHBondContact O-N 3.37Å; A397-F399 PolarHBondContact O-N 2.91Å; A397-F399 VanDerWaalsContact O-N 3.08Å; F399-F402 PolarHBondContact O-N 3.29Å; F399-L403 HydrophobicContact CD1-CD1 3.99Å; F399-L403 HydrophobicContact CD1-CG 4.4Å; F399-L403 HydrophobicContact CE1-CD1 3.63Å; F399-L403 HydrophobicContact CE1-CG 4.12Å; F399-L403 HydrophobicContact CZ-CD1 4.47Å; F399-L403 WeakPolarHBondContact O-CG 3.44Å; F399-L403 PolarHBondContact O-N 2.97Å; F399-L403 VanDerWaalsContact O-N 3.1Å; F399-Y455 HydrophobicContact CD2-CE1 4.21Å; F399-Y455 AromaticContact CE2-CD1 3.96Å; F399-Y455 HydrophobicContact CE2-CD1 3.96Å; F399-Y455 AromaticContact CE2-CE1 3.83Å; F399-Y455 HydrophobicContact CE2-CE1 3.83Å |
| 400 | N | 78.4 | Confident | 74.5 | Confident | 54 Ų | 54 | 48.1 Ų | 48.1 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -77.4 | -35.5 | 177.3 | -65 | -10.9 | 0 | 0 | 0 | 111.4 | Q393 A397 F402 L403 D404 | Q393-N400 PolarHBondContact O-ND2 3.48Å; Q393-N400 PolarHBondContact O-OD1 2.96Å; A397-N400 CarbonylContact O-C 3.58Å; A397-N400 WeakPolarHBondContact O-CA 3.31Å; A397-N400 PolarHBondContact O-N 2.87Å; N400-F402 VanDerWaalsContact C-N 3.28Å; N400-F402 PolarHBondContact O-N 3.04Å; N400-L403 PolarHBondContact O-N 3.17Å; N400-L403 VanDerWaalsContact O-N 3.12Å; N400-D404 WeakPolarHBondContact O-CB 3.42Å; N400-D404 PolarHBondContact O-N 2.73Å |
| 401 | E | 81.1 | Confident | 75.6 | Confident | 41 Ų | 41 | 48 Ų | 48 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.8 | -43.8 | 168.1 | -68.1 | 155.9 | -138.3 | 0 | 0 | 111.6 | L365 A397 R398 A405 | L365-E401 HydrophobicContact CD2-CB 4.45Å; A397-E401 WeakPolarHBondContact CB-OE1 3.42Å; A397-E401 WeakPolarHBondContact O-CG 3.35Å; A397-E401 PolarHBondContact O-N 2.98Å; R398-E401 VanDerWaalsContact CA-CD 3.44Å; R398-E401 WeakPolarHBondContact CA-OE1 3.32Å; R398-E401 WeakPolarHBondContact CA-OE2 3.42Å; R398-E401 PolarHBondContact N-OE1 3.31Å; R398-E401 VanDerWaalsContact N-OE1 3.07Å; E401-A405 WeakPolarHBondContact O-CB 3.38Å; E401-A405 PolarHBondContact O-N 2.8Å; E401-A405 VanDerWaalsContact O-N 3.09Å |
| 402 | F | 85.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 174.6 | 176.5 | -83.6 | 0 | 0 | 0 | 112.7 | L362 L365 L369 R398 F399 N400 A405 L406 F432 F459 | L362-F402 HydrophobicContact CD1-CD2 4.03Å; L362-F402 HydrophobicContact CD1-CE2 3.52Å; L362-F402 HydrophobicContact CD1-CZ 3.88Å; L362-F402 HydrophobicContact CG-CE2 3.98Å; L362-F402 HydrophobicContact CG-CZ 4.42Å; L365-F402 HydrophobicContact CB-CB 4.4Å; L365-F402 HydrophobicContact CB-CD2 3.97Å; L369-F402 HydrophobicContact CD1-CG 4.41Å; R398-F402 PolarHBondContact O-N 3.46Å; F399-F402 PolarHBondContact O-N 3.29Å; N400-F402 VanDerWaalsContact C-N 3.28Å; N400-F402 PolarHBondContact O-N 3.04Å; F402-A405 WeakPolarHBondContact O-CB 3.38Å; F402-A405 PolarHBondContact O-N 3.43Å; F402-L406 PolarHBondContact O-N 3.05Å; F402-F432 HydrophobicContact CE2-CE2 4.13Å; F402-F432 AromaticContact CE2-CZ 3.93Å; F402-F432 HydrophobicContact CE2-CZ 3.93Å; F402-F432 HydrophobicContact CZ-CE2 4.47Å; F402-F432 AromaticContact CZ-CZ 3.81Å; F402-F432 HydrophobicContact CZ-CZ 3.81Å; F402-F459 AromaticContact CD1-CE1 3.93Å; F402-F459 HydrophobicContact CD1-CE1 3.93Å; F402-F459 AromaticContact CE1-CD1 3.64Å; F402-F459 HydrophobicContact CE1-CD1 3.64Å; F402-F459 AromaticContact CE1-CE1 3.12Å; F402-F459 HydrophobicContact CE1-CE1 3.12Å; F402-F459 AromaticContact CE1-CZ 3.69Å; F402-F459 HydrophobicContact CE1-CZ 3.69Å; F402-F459 HydrophobicContact CE2-CZ 4.41Å; F402-F459 HydrophobicContact CZ-CD1 4.11Å; F402-F459 AromaticContact CZ-CE1 3.55Å; F402-F459 HydrophobicContact CZ-CE1 3.55Å; F402-F459 HydrophobicContact CZ-CE2 4.24Å; F402-F459 AromaticContact CZ-CZ 3.61Å; F402-F459 HydrophobicContact CZ-CZ 3.61Å |
| 403 | L | 82.6 | Confident | 78.3 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.4 | -43.2 | 177.9 | -70.2 | -179.7 | 0 | 0 | 0 | 112.2 | F399 N400 A405 L406 D407 | F399-L403 HydrophobicContact CD1-CD1 3.99Å; F399-L403 HydrophobicContact CD1-CG 4.4Å; F399-L403 HydrophobicContact CE1-CD1 3.63Å; F399-L403 HydrophobicContact CE1-CG 4.12Å; F399-L403 HydrophobicContact CZ-CD1 4.47Å; F399-L403 WeakPolarHBondContact O-CG 3.44Å; F399-L403 PolarHBondContact O-N 2.97Å; F399-L403 VanDerWaalsContact O-N 3.1Å; N400-L403 PolarHBondContact O-N 3.17Å; N400-L403 VanDerWaalsContact O-N 3.12Å; L403-A405 PolarHBondContact O-N 3.17Å; L403-L406 WeakPolarHBondContact O-CB 3.5Å; L403-L406 PolarHBondContact O-N 3.34Å; L403-D407 PolarHBondContact O-N 2.98Å |
| 404 | D | 83 | Confident | 79.7 | Confident | 66 Ų | 66 | 46.4 Ų | 46.4 | 35% | 0.353 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60 | -36.1 | 174.3 | -75 | -10.5 | 0 | 0 | 0 | 111.4 | W325 N400 F408 | W325-D404 HydrophobicContact CH2-CB 4.26Å; N400-D404 WeakPolarHBondContact O-CB 3.42Å; N400-D404 PolarHBondContact O-N 2.73Å; D404-F408 VanDerWaalsContact O-CB 3.32Å; D404-F408 WeakPolarHBondContact O-CB 3.46Å; D404-F408 PolarHBondContact O-N 3.19Å |
| 405 | A | 85.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.2 | -37.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F318 L362 L365 E401 F402 L403 C409 | F318-A405 HydrophobicContact CD1-CB 4.16Å; F318-A405 HydrophobicContact CE1-CB 3.96Å; L362-A405 HydrophobicContact CD1-CB 4.18Å; L365-A405 HydrophobicContact CD1-CB 3.55Å; E401-A405 WeakPolarHBondContact O-CB 3.38Å; E401-A405 PolarHBondContact O-N 2.8Å; E401-A405 VanDerWaalsContact O-N 3.09Å; F402-A405 WeakPolarHBondContact O-CB 3.38Å; F402-A405 PolarHBondContact O-N 3.43Å; L403-A405 PolarHBondContact O-N 3.17Å; A405-C409 PolarHBondContact O-N 3.36Å; A405-C409 PolarHBondContact O-SG 3.28Å |
| 406 | L | 85.2 | Confident | 82.7 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -45.5 | 175 | -168.7 | 86 | 0 | 0 | 0 | 111.4 | F402 L403 F408 C409 R410 H462 T463 L468 | F402-L406 PolarHBondContact O-N 3.05Å; L403-L406 WeakPolarHBondContact O-CB 3.5Å; L403-L406 PolarHBondContact O-N 3.34Å; L406-F408 VanDerWaalsContact C-N 3.34Å; L406-C409 WeakPolarHBondContact O-CB 3.25Å; L406-C409 PolarHBondContact O-N 3.31Å; L406-R410 PolarHBondContact O-N 2.68Å; L406-H462 HydrophobicContact CD2-CB 3.63Å; L406-T463 HydrophobicContact CD1-CG2 4.45Å; L406-T463 HydrophobicContact CD2-CG2 4.25Å; L406-L468 HydrophobicContact CD1-CD1 4.37Å |
| 407 | D | 85.1 | Confident | 83.8 | Confident | 63 Ų | 63 | 37.7 Ų | 37.7 | 34% | 0.337 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -70.3 | -29.2 | 178 | -80.7 | -33.4 | 0 | 0 | 0 | 112.3 | L403 S411 | L403-D407 PolarHBondContact O-N 2.98Å; D407-S411 WeakPolarHBondContact O-CB 3.46Å; D407-S411 PolarHBondContact O-N 3.13Å; D407-S411 PolarHBondContact O-OG 2.89Å |
| 408 | F | 88.1 | Confident | 84.4 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 4% | 0.044 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.6 | -48.5 | 165.2 | 169.4 | -109 | 0 | 0 | 0 | 112 | V317 R328 L331 L332 I358 D404 L406 R410 S411 L412 | V317-F408 HydrophobicContact CG1-CD1 4.11Å; V317-F408 HydrophobicContact CG1-CE1 3.48Å; V317-F408 VanDerWaalsContact CG1-CE1 3.48Å; V317-F408 HydrophobicContact CG1-CZ 3.94Å; R328-F408 HydrophobicContact CB-CD2 3.64Å; R328-F408 HydrophobicContact CB-CE2 3.62Å; R328-F408 HydrophobicContact CB-CG 4.4Å; R328-F408 HydrophobicContact CB-CZ 4.37Å; R328-F408 HydrophobicContact CG-CD1 4.31Å; R328-F408 HydrophobicContact CG-CD2 3.66Å; R328-F408 HydrophobicContact CG-CE1 4.44Å; R328-F408 HydrophobicContact CG-CE2 3.8Å; R328-F408 HydrophobicContact CG-CG 3.93Å; R328-F408 HydrophobicContact CG-CZ 4.2Å; L331-F408 HydrophobicContact CB-CE2 4.45Å; L331-F408 HydrophobicContact CB-CZ 4.11Å; L331-F408 HydrophobicContact CD1-CZ 3.98Å; L332-F408 HydrophobicContact CD2-CD2 4.5Å; L332-F408 HydrophobicContact CD2-CE2 4.23Å; L332-F408 HydrophobicContact CG-CD2 4.48Å; L332-F408 HydrophobicContact CG-CE2 4.11Å; I358-F408 HydrophobicContact CD1-CE1 4.11Å; D404-F408 VanDerWaalsContact O-CB 3.32Å; D404-F408 WeakPolarHBondContact O-CB 3.46Å; D404-F408 PolarHBondContact O-N 3.19Å; L406-F408 VanDerWaalsContact C-N 3.34Å; F408-R410 VanDerWaalsContact C-N 3.28Å; F408-R410 PolarHBondContact O-N 2.95Å; F408-S411 PolarHBondContact O-N 2.92Å; F408-S411 VanDerWaalsContact O-N 3.14Å; F408-L412 HydrophobicContact CE1-CD2 4.34Å; F408-L412 HydrophobicContact CZ-CD2 4.16Å; F408-L412 WeakPolarHBondContact O-CB 3.34Å; F408-L412 PolarHBondContact O-N 3.47Å |
| 409 | C | 86.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59 | -40.7 | 177.1 | -68.3 | 0 | 0 | 0 | 0 | 111.8 | I358 A405 L406 L413 | I358-C409 VanDerWaalsContact CG2-SG 3.54Å; A405-C409 PolarHBondContact O-N 3.36Å; A405-C409 PolarHBondContact O-SG 3.28Å; L406-C409 WeakPolarHBondContact O-CB 3.25Å; L406-C409 PolarHBondContact O-N 3.31Å; C409-L413 WeakPolarHBondContact O-CB 3.42Å; C409-L413 VanDerWaalsContact O-CG 3.3Å; C409-L413 WeakPolarHBondContact O-CG 3.5Å; C409-L413 PolarHBondContact O-N 3.46Å |
| 410 | R | 85.3 | Confident | 85.1 | Confident | 72 Ų | 72 | 35.5 Ų | 35.5 | 27% | 0.272 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.2 | -52.5 | 171.8 | 172 | -176.1 | 176.7 | 156.3 | 7.3 | 111.6 | L406 F408 L412 L413 E414 | L406-R410 PolarHBondContact O-N 2.68Å; F408-R410 VanDerWaalsContact C-N 3.28Å; F408-R410 PolarHBondContact O-N 2.95Å; R410-L412 VanDerWaalsContact C-N 3.26Å; R410-L412 PolarHBondContact O-N 2.92Å; R410-L413 PolarHBondContact O-N 3.47Å; R410-L413 VanDerWaalsContact O-N 3.13Å; R410-E414 WeakPolarHBondContact CG-OE1 3.26Å; R410-E414 IonicContact CZ-OE1 3.7Å; R410-E414 IonicContact NE-OE1 3.98Å; R410-E414 PolarHBondContact NE-OE1 3.47Å; R410-E414 IonicContact NH2-OE1 3.18Å; R410-E414 PolarHBondContact NH2-OE1 2.76Å; R410-E414 PolarHBondContact O-N 2.91Å |
| 411 | S | 88.3 | Confident | 85.5 | Confident | 47 Ų | 47 | 35.5 Ų | 35.5 | 33% | 0.329 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.8 | -38.4 | -178.7 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | D407 F408 E414 I415 | D407-S411 WeakPolarHBondContact O-CB 3.46Å; D407-S411 PolarHBondContact O-N 3.13Å; D407-S411 PolarHBondContact O-OG 2.89Å; F408-S411 PolarHBondContact O-N 2.92Å; F408-S411 VanDerWaalsContact O-N 3.14Å; S411-E414 PolarHBondContact O-N 2.85Å; S411-I415 WeakPolarHBondContact O-CB 3.48Å; S411-I415 WeakPolarHBondContact O-CG1 3.46Å; S411-I415 PolarHBondContact O-N 3.11Å |
| 412 | L | 87.4 | Confident | 85.7 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 176 | -171.4 | 63.7 | 0 | 0 | 0 | 111.7 | L332 A335 I358 F408 R410 E414 I415 A416 L424 | L332-L412 HydrophobicContact CD2-CB 4.16Å; L332-L412 HydrophobicContact CD2-CD1 4.15Å; A335-L412 HydrophobicContact CB-CD1 3.57Å; I358-L412 HydrophobicContact CD1-CD2 3.53Å; F408-L412 HydrophobicContact CE1-CD2 4.34Å; F408-L412 HydrophobicContact CZ-CD2 4.16Å; F408-L412 WeakPolarHBondContact O-CB 3.34Å; F408-L412 PolarHBondContact O-N 3.47Å; R410-L412 VanDerWaalsContact C-N 3.26Å; R410-L412 PolarHBondContact O-N 2.92Å; L412-E414 VanDerWaalsContact C-N 3.35Å; L412-I415 PolarHBondContact O-N 3.18Å; L412-A416 VanDerWaalsContact O-CB 3.26Å; L412-A416 WeakPolarHBondContact O-CB 3.3Å; L412-A416 PolarHBondContact O-N 2.97Å; L412-L424 HydrophobicContact CD2-CD2 3.7Å; L412-L424 HydrophobicContact CG-CD2 4.11Å |
| 413 | L | 86.4 | Confident | 85.7 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.6 | -24.7 | 175.6 | -73 | 168.4 | 0 | 0 | 0 | 113.9 | C409 R410 I415 Q421 L424 L425 S467 L468 | C409-L413 WeakPolarHBondContact O-CB 3.42Å; C409-L413 VanDerWaalsContact O-CG 3.3Å; C409-L413 WeakPolarHBondContact O-CG 3.5Å; C409-L413 PolarHBondContact O-N 3.46Å; R410-L413 PolarHBondContact O-N 3.47Å; R410-L413 VanDerWaalsContact O-N 3.13Å; L413-I415 VanDerWaalsContact C-N 3.34Å; L413-Q421 HydrophobicContact CD2-CB 4.09Å; L413-Q421 HydrophobicContact CD2-CG 4.41Å; L413-Q421 PolarHBondContact O-NE2 3.15Å; L413-L424 HydrophobicContact CD2-CB 4.34Å; L413-L424 HydrophobicContact CD2-CD2 3.85Å; L413-L424 HydrophobicContact CD2-CG 4.21Å; L413-L424 HydrophobicContact CG-CD2 3.94Å; L413-L425 HydrophobicContact CD1-CD1 4.19Å; L413-L425 HydrophobicContact CD2-CB 4.41Å; L413-S467 WeakPolarHBondContact CB-OG 3.44Å; L413-L468 HydrophobicContact CD1-CD2 3.5Å; L413-L468 HydrophobicContact CD1-CG 3.72Å |
| 414 | E | 86 | Confident | 85.9 | Confident | 105 Ų | 105 | 37.5 Ų | 37.5 | 49% | 0.491 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -77.9 | -17.8 | 173.5 | -72.7 | -177.9 | -157.7 | 0 | 0 | 112.8 | R410 S411 L412 | R410-E414 WeakPolarHBondContact CG-OE1 3.26Å; R410-E414 IonicContact CZ-OE1 3.7Å; R410-E414 IonicContact NE-OE1 3.98Å; R410-E414 PolarHBondContact NE-OE1 3.47Å; R410-E414 IonicContact NH2-OE1 3.18Å; R410-E414 PolarHBondContact NH2-OE1 2.76Å; R410-E414 PolarHBondContact O-N 2.91Å; S411-E414 PolarHBondContact O-N 2.85Å; L412-E414 VanDerWaalsContact C-N 3.35Å |
| 415 | I | 86 | Confident | 86.1 | Confident | 63 Ų | 63 | 35.8 Ų | 35.8 | 32% | 0.323 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -117.8 | -26.8 | -170.2 | -65.7 | 174.6 | 0 | 0 | 0 | 114.1 | L332 A335 A336 L339 S411 L412 L413 | L332-I415 HydrophobicContact CD2-CD1 4.45Å; A335-I415 HydrophobicContact CB-CG2 4.12Å; A336-I415 HydrophobicContact CB-CG2 3.74Å; L339-I415 WeakPolarHBondContact CD1-O 3.26Å; L339-I415 WeakPolarHBondContact CG-O 3.49Å; S411-I415 WeakPolarHBondContact O-CB 3.48Å; S411-I415 WeakPolarHBondContact O-CG1 3.46Å; S411-I415 PolarHBondContact O-N 3.11Å; L412-I415 PolarHBondContact O-N 3.18Å; L413-I415 VanDerWaalsContact C-N 3.34Å |
| 416 | A | 85.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -73.3 | 160.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A335 L412 I420 Q421 | A335-A416 HydrophobicContact CB-CB 3.93Å; L412-A416 VanDerWaalsContact O-CB 3.26Å; L412-A416 WeakPolarHBondContact O-CB 3.3Å; L412-A416 PolarHBondContact O-N 2.97Å; A416-I420 HydrophobicContact CB-CB 4.13Å; A416-I420 HydrophobicContact CB-CG2 3.97Å; A416-Q421 HydrophobicContact CB-CG 4.2Å; A416-Q421 PolarHBondContact O-NE2 3.08Å |
| 417 | H | 87.4 | Confident | 86.1 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | trans | -61.3 | 143.5 | 170.4 | -170.4 | -121 | 0 | 0 | 0 | 112 | S338 L339 S345 L419 I420 Q421 | S338-H417 WeakPolarHBondContact O-CB 3.16Å; S338-H417 PolarHBondContact OG-N 2.92Å; S338-H417 VanDerWaalsContact OG-N 3.07Å; L339-H417 HydrophobicContact CD2-CB 4.46Å; S345-H417 WeakPolarHBondContact CB-ND1 3.48Å; S345-H417 PolarHBondContact OG-CE1 3.39Å; S345-H417 PolarHBondContact OG-ND1 2.92Å; H417-L419 PolarHBondContact O-N 3.28Å; H417-I420 PolarHBondContact O-N 2.95Å; H417-Q421 PolarHBondContact O-N 3.02Å | ||
| 418 | P | 85.1 | Confident | 86.1 | Confident | 67 Ų | 67 | 39.7 Ų | 39.7 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -54.8 | -27.8 | -175.5 | -31.5 | 39 | 0 | 0 | 0 | 115.8 | Q421 S422 | P418-Q421 PolarHBondContact O-N 3.3Å; P418-S422 WeakPolarHBondContact O-CB 3.5Å; P418-S422 PolarHBondContact O-N 2.99Å; P418-S422 PolarHBondContact O-OG 2.89Å |
| 419 | L | 83.7 | Confident | 85.9 | Confident | 75 Ų | 75 | 40.6 Ų | 40.6 | 39% | 0.393 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -50.8 | 171.7 | -65.2 | 179.7 | 0 | 0 | 0 | 111.6 | H346 A349 H417 S422 C423 | H346-L419 HydrophobicContact CB-CD1 4.42Å; A349-L419 HydrophobicContact CB-CB 4.46Å; H417-L419 PolarHBondContact O-N 3.28Å; L419-S422 PolarHBondContact O-N 3.36Å; L419-S422 PolarHBondContact O-OG 2.89Å; L419-C423 PolarHBondContact O-N 3.49Å |
| 420 | I | 84.5 | Confident | 85.8 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | 176.7 | -61.6 | 173.7 | 0 | 0 | 0 | 110.2 | I348 A349 A416 H417 S422 C423 L424 | I348-I420 HydrophobicContact CB-CD1 3.9Å; I348-I420 HydrophobicContact CB-CG1 4.29Å; I348-I420 HydrophobicContact CD1-CD1 4.14Å; I348-I420 HydrophobicContact CG2-CD1 3.79Å; I348-I420 HydrophobicContact CG2-CG1 4.04Å; A349-I420 HydrophobicContact CB-CG1 4.26Å; A416-I420 HydrophobicContact CB-CB 4.13Å; A416-I420 HydrophobicContact CB-CG2 3.97Å; H417-I420 PolarHBondContact O-N 2.95Å; I420-S422 VanDerWaalsContact C-N 3.34Å; I420-S422 PolarHBondContact O-N 3.3Å; I420-C423 PolarHBondContact O-N 3.45Å; I420-L424 WeakPolarHBondContact O-CB 3.38Å; I420-L424 PolarHBondContact O-N 3.44Å |
| 421 | Q | 87.7 | Confident | 85.7 | Confident | 55 Ų | 55 | 41 Ų | 41 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.1 | -50.9 | 173.6 | -63.1 | -178 | 19.8 | 0 | 0 | 110.6 | L413 A416 H417 P418 C423 L425 | L413-Q421 HydrophobicContact CD2-CB 4.09Å; L413-Q421 HydrophobicContact CD2-CG 4.41Å; L413-Q421 PolarHBondContact O-NE2 3.15Å; A416-Q421 HydrophobicContact CB-CG 4.2Å; A416-Q421 PolarHBondContact O-NE2 3.08Å; H417-Q421 PolarHBondContact O-N 3.02Å; P418-Q421 PolarHBondContact O-N 3.3Å; Q421-C423 VanDerWaalsContact C-N 3.34Å; Q421-C423 PolarHBondContact O-N 3.4Å; Q421-L425 WeakPolarHBondContact O-CB 3.22Å; Q421-L425 PolarHBondContact O-N 3.23Å |
| 422 | S | 85 | Confident | 85.5 | Confident | 63 Ų | 63 | 38.8 Ų | 38.8 | 44% | 0.441 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.5 | -38 | -178.8 | 75 | 0 | 0 | 0 | 0 | 113.1 | P418 L419 I420 H426 | P418-S422 WeakPolarHBondContact O-CB 3.5Å; P418-S422 PolarHBondContact O-N 2.99Å; P418-S422 PolarHBondContact O-OG 2.89Å; L419-S422 PolarHBondContact O-N 3.36Å; L419-S422 PolarHBondContact O-OG 2.89Å; I420-S422 VanDerWaalsContact C-N 3.34Å; I420-S422 PolarHBondContact O-N 3.3Å; S422-H426 WeakPolarHBondContact O-CB 3.46Å; S422-H426 PolarHBondContact O-N 3.37Å |
| 423 | C | 85.3 | Confident | 85.4 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 22% | 0.223 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.4 | -54.9 | 177.5 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | A349 L419 I420 Q421 L425 H426 C427 | A349-C423 HydrophobicContact CB-CB 4.29Å; L419-C423 PolarHBondContact O-N 3.49Å; I420-C423 PolarHBondContact O-N 3.45Å; Q421-C423 VanDerWaalsContact C-N 3.34Å; Q421-C423 PolarHBondContact O-N 3.4Å; C423-L425 VanDerWaalsContact C-N 3.27Å; C423-L425 PolarHBondContact O-N 3.48Å; C423-H426 WeakPolarHBondContact O-CB 3.42Å; C423-H426 PolarHBondContact O-N 2.91Å; C423-H426 VanDerWaalsContact O-N 3.15Å; C423-C427 PolarHBondContact O-N 2.87Å; C423-C427 PolarHBondContact O-SG 3.49Å; C423-C427 VanDerWaalsContact O-SG 3.36Å |
| 424 | L | 87.6 | Confident | 85.3 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.4 | -42.3 | 176.8 | 176.4 | 60.2 | 0 | 0 | 0 | 111.8 | C355 I358 L412 L413 I420 C427 I428 | C355-L424 HydrophobicContact CB-CB 4.32Å; I358-L424 HydrophobicContact CB-CD1 4.05Å; I358-L424 HydrophobicContact CG2-CD1 3.85Å; L412-L424 HydrophobicContact CD2-CD2 3.7Å; L412-L424 HydrophobicContact CG-CD2 4.11Å; L413-L424 HydrophobicContact CD2-CB 4.34Å; L413-L424 HydrophobicContact CD2-CD2 3.85Å; L413-L424 HydrophobicContact CD2-CG 4.21Å; L413-L424 HydrophobicContact CG-CD2 3.94Å; I420-L424 WeakPolarHBondContact O-CB 3.38Å; I420-L424 PolarHBondContact O-N 3.44Å; L424-C427 WeakPolarHBondContact O-CB 3.32Å; L424-C427 PolarHBondContact O-N 3.04Å; L424-I428 HydrophobicContact CD1-CD1 3.91Å; L424-I428 HydrophobicContact CD1-CG1 4.21Å; L424-I428 HydrophobicContact CG-CD1 3.94Å; L424-I428 VanDerWaalsContact O-CG1 3.32Å; L424-I428 WeakPolarHBondContact O-CG1 3.46Å; L424-I428 PolarHBondContact O-N 3.08Å |
| 425 | L | 86.5 | Confident | 85 | Confident | 29 Ų | 29 | 38.6 Ų | 38.6 | 15% | 0.152 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.1 | -34 | -179.2 | -166.5 | 64.9 | 0 | 0 | 0 | 112.3 | L413 Q421 C423 H429 L468 I471 | L413-L425 HydrophobicContact CD1-CD1 4.19Å; L413-L425 HydrophobicContact CD2-CB 4.41Å; Q421-L425 WeakPolarHBondContact O-CB 3.22Å; Q421-L425 PolarHBondContact O-N 3.23Å; C423-L425 VanDerWaalsContact C-N 3.27Å; C423-L425 PolarHBondContact O-N 3.48Å; L425-H429 PolarHBondContact O-N 3.44Å; L425-H429 VanDerWaalsContact O-N 3.08Å; L425-L468 HydrophobicContact CD1-CD2 3.97Å; L425-I471 HydrophobicContact CD1-CB 4.11Å; L425-I471 HydrophobicContact CD1-CG1 3.81Å; L425-I471 HydrophobicContact CD1-CG2 4.32Å; L425-I471 HydrophobicContact CD2-CD1 4.17Å; L425-I471 HydrophobicContact CD2-CG1 3.78Å; L425-I471 HydrophobicContact CG-CB 4.37Å; L425-I471 HydrophobicContact CG-CD1 3.93Å; L425-I471 HydrophobicContact CG-CG1 3.6Å |
| 426 | H | 85.9 | Confident | 84.8 | Confident | 131 Ų | 131 | 37.6 Ų | 37.6 | 61% | 0.606 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -68 | -44.4 | 169.4 | -176.8 | 85.8 | 0 | 0 | 0 | 111.9 | S422 C423 I428 H429 A430 | S422-H426 WeakPolarHBondContact O-CB 3.46Å; S422-H426 PolarHBondContact O-N 3.37Å; C423-H426 WeakPolarHBondContact O-CB 3.42Å; C423-H426 PolarHBondContact O-N 2.91Å; C423-H426 VanDerWaalsContact O-N 3.15Å; H426-I428 PolarHBondContact O-N 3.05Å; H426-H429 PolarHBondContact O-N 2.63Å; H426-A430 PolarHBondContact O-N 2.91Å |
| 427 | C | 84.2 | Confident | 84.8 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 14% | 0.135 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 175 | -69 | 0 | 0 | 0 | 0 | 111.8 | C355 A359 C423 L424 H429 A430 I431 | C355-C427 WeakPolarHBondContact O-CB 3.49Å; A359-C427 HydrophobicContact CB-CB 3.83Å; C423-C427 PolarHBondContact O-N 2.87Å; C423-C427 PolarHBondContact O-SG 3.49Å; C423-C427 VanDerWaalsContact O-SG 3.36Å; L424-C427 WeakPolarHBondContact O-CB 3.32Å; L424-C427 PolarHBondContact O-N 3.04Å; C427-H429 VanDerWaalsContact C-N 3.34Å; C427-H429 PolarHBondContact O-N 3.27Å; C427-A430 PolarHBondContact O-N 3.31Å; C427-I431 HydrophobicContact CB-CD1 4.28Å; C427-I431 VanDerWaalsContact O-CB 3.25Å; C427-I431 WeakPolarHBondContact O-CB 3.39Å; C427-I431 WeakPolarHBondContact O-CG1 3.5Å; C427-I431 PolarHBondContact O-N 2.92Å |
| 428 | I | 85.8 | Confident | 84.6 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -62.6 | -40 | 176.4 | -67.9 | 169.7 | 0 | 0 | 0 | 111 | A359 L424 H426 F432 F433 L468 | A359-I428 HydrophobicContact CB-CG1 3.97Å; L424-I428 HydrophobicContact CD1-CD1 3.91Å; L424-I428 HydrophobicContact CD1-CG1 4.21Å; L424-I428 HydrophobicContact CG-CD1 3.94Å; L424-I428 VanDerWaalsContact O-CG1 3.32Å; L424-I428 WeakPolarHBondContact O-CG1 3.46Å; L424-I428 PolarHBondContact O-N 3.08Å; H426-I428 PolarHBondContact O-N 3.05Å; I428-F432 HydrophobicContact CG2-CB 4.29Å; I428-F432 HydrophobicContact CG2-CD1 4.5Å; I428-F432 WeakPolarHBondContact O-CA 3.48Å; I428-F432 VanDerWaalsContact O-CB 3.31Å; I428-F432 WeakPolarHBondContact O-CB 3.33Å; I428-F432 PolarHBondContact O-N 3.42Å; I428-F433 HydrophobicContact CG2-CD2 4.03Å; I428-F433 HydrophobicContact CG2-CE2 3.74Å; I428-F433 HydrophobicContact CG2-CZ 4.49Å; I428-F433 PolarHBondContact O-N 2.86Å; I428-F433 VanDerWaalsContact O-N 3.08Å; I428-L468 HydrophobicContact CD1-CD2 3.9Å; I428-L468 HydrophobicContact CG2-CD2 4.22Å |
| 429 | H | 84.1 | Confident | 84.6 | Confident | 28 Ų | 28 | 36.1 Ų | 36.1 | 13% | 0.13 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -60.8 | -52.3 | 174.4 | -175.5 | -94 | 0 | 0 | 0 | 112.3 | L425 H426 C427 V434 I471 | L425-H429 PolarHBondContact O-N 3.44Å; L425-H429 VanDerWaalsContact O-N 3.08Å; H426-H429 PolarHBondContact O-N 2.63Å; C427-H429 VanDerWaalsContact C-N 3.34Å; C427-H429 PolarHBondContact O-N 3.27Å; H429-V434 WeakPolarHBondContact O-CB 3.3Å; H429-V434 WeakPolarHBondContact O-CG2 3.17Å; H429-V434 PolarHBondContact O-N 2.92Å; H429-I471 HydrophobicContact CB-CG2 3.82Å |
| 430 | A | 83.6 | Confident | 84.5 | Confident | 37 Ų | 37 | 33 Ų | 33 | 31% | 0.306 | 19% | 0.193 | S | C | . | . | I | π-helix | trans | -68.9 | -47.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | H426 C427 S435 | H426-A430 PolarHBondContact O-N 2.91Å; C427-A430 PolarHBondContact O-N 3.31Å; A430-S435 WeakPolarHBondContact O-CB 3.38Å; A430-S435 PolarHBondContact O-N 3.11Å; A430-S435 PolarHBondContact O-OG 2.9Å |
| 431 | I | 83.7 | Confident | 84.5 | Confident | 44 Ų | 44 | 32.4 Ų | 32.4 | 23% | 0.226 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -86 | -45.3 | -168.9 | -61.8 | 166.8 | 0 | 0 | 0 | 111.1 | A356 A359 T360 C427 S435 I436 | A356-I431 HydrophobicContact CB-CD1 4.23Å; A359-I431 HydrophobicContact CB-CB 4.1Å; A359-I431 HydrophobicContact CB-CD1 3.96Å; A359-I431 HydrophobicContact CB-CG2 4.36Å; T360-I431 HydrophobicContact CG2-CD1 4.26Å; T360-I431 HydrophobicContact CG2-CG2 3.71Å; C427-I431 HydrophobicContact CB-CD1 4.28Å; C427-I431 VanDerWaalsContact O-CB 3.25Å; C427-I431 WeakPolarHBondContact O-CB 3.39Å; C427-I431 WeakPolarHBondContact O-CG1 3.5Å; C427-I431 PolarHBondContact O-N 2.92Å; I431-S435 WeakPolarHBondContact O-CB 3.32Å; I431-I436 WeakPolarHBondContact O-CG1 3.48Å |
| 432 | F | 84.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -89.6 | -60.8 | -175.9 | -175.9 | -113.4 | 0 | 0 | 0 | 112 | L362 Y366 F402 I428 I436 I437 F459 | L362-F432 HydrophobicContact CD2-CD1 3.99Å; L362-F432 HydrophobicContact CD2-CD2 4.33Å; L362-F432 HydrophobicContact CD2-CE1 4.17Å; L362-F432 HydrophobicContact CD2-CG 4.07Å; L362-F432 HydrophobicContact CD2-CZ 4.43Å; L362-F432 HydrophobicContact CG-CD2 4.2Å; L362-F432 HydrophobicContact CG-CE2 4.17Å; L362-F432 HydrophobicContact CG-CG 4.44Å; L362-F432 HydrophobicContact CG-CZ 4.38Å; Y366-F432 HydrophobicContact CD2-CE2 4.43Å; Y366-F432 HydrophobicContact CD2-CZ 4.44Å; Y366-F432 HydrophobicContact CG-CE2 4.11Å; F402-F432 HydrophobicContact CE2-CE2 4.13Å; F402-F432 AromaticContact CE2-CZ 3.93Å; F402-F432 HydrophobicContact CE2-CZ 3.93Å; F402-F432 HydrophobicContact CZ-CE2 4.47Å; F402-F432 AromaticContact CZ-CZ 3.81Å; F402-F432 HydrophobicContact CZ-CZ 3.81Å; I428-F432 HydrophobicContact CG2-CB 4.29Å; I428-F432 HydrophobicContact CG2-CD1 4.5Å; I428-F432 WeakPolarHBondContact O-CA 3.48Å; I428-F432 VanDerWaalsContact O-CB 3.31Å; I428-F432 WeakPolarHBondContact O-CB 3.33Å; I428-F432 PolarHBondContact O-N 3.42Å; F432-I436 WeakPolarHBondContact O-CB 3.31Å; F432-I436 PolarHBondContact O-N 3.34Å; F432-I437 HydrophobicContact CD1-CG1 4.44Å; F432-I437 HydrophobicContact CE1-CD1 4.39Å; F432-I437 HydrophobicContact CE1-CG1 4.08Å; F432-I437 HydrophobicContact CE2-CD1 4.23Å; F432-I437 HydrophobicContact CE2-CG1 4.42Å; F432-I437 HydrophobicContact CZ-CD1 3.92Å; F432-I437 HydrophobicContact CZ-CG1 4.07Å; F432-I437 PolarHBondContact O-N 2.74Å; F432-F459 HydrophobicContact CZ-CD2 4.48Å; F432-F459 HydrophobicContact CZ-CE2 4.07Å |
| 433 | F | 85 | Confident | 84 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.022 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -68.8 | -55.4 | -174.8 | -68.1 | -54.7 | 0 | 0 | 0 | 112.2 | I428 I437 G438 I471 L472 F475 | I428-F433 HydrophobicContact CG2-CD2 4.03Å; I428-F433 HydrophobicContact CG2-CE2 3.74Å; I428-F433 HydrophobicContact CG2-CZ 4.49Å; I428-F433 PolarHBondContact O-N 2.86Å; I428-F433 VanDerWaalsContact O-N 3.08Å; F433-I437 HydrophobicContact CD1-CG1 4.36Å; F433-I437 WeakPolarHBondContact O-CB 3.47Å; F433-I437 PolarHBondContact O-N 3.33Å; F433-G438 PolarHBondContact O-N 3.12Å; F433-I471 HydrophobicContact CD2-CG2 4.02Å; F433-I471 HydrophobicContact CE2-CG2 4.05Å; F433-L472 HydrophobicContact CE1-CB 4.14Å; F433-L472 HydrophobicContact CE1-CD1 3.92Å; F433-L472 HydrophobicContact CE1-CG 3.83Å; F433-L472 HydrophobicContact CE2-CB 4.24Å; F433-L472 HydrophobicContact CZ-CB 3.81Å; F433-L472 HydrophobicContact CZ-CD1 4.04Å; F433-L472 HydrophobicContact CZ-CG 4Å; F433-F475 HydrophobicContact CB-CB 3.96Å; F433-F475 HydrophobicContact CB-CD1 4.12Å; F433-F475 HydrophobicContact CB-CD2 3.94Å; F433-F475 HydrophobicContact CB-CG 3.72Å; F433-F475 HydrophobicContact CD1-CD1 4.44Å; F433-F475 HydrophobicContact CG-CB 4.45Å; F433-F475 HydrophobicContact CG-CG 4.44Å; F433-F475 WeakPolarHBondContact O-CE2 3.25Å; F433-F475 WeakPolarHBondContact O-CZ 3.26Å |
| 434 | V | 83.2 | Confident | 83.6 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 22% | 0.218 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -70.7 | -47.9 | -177.3 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | H429 P439 F475 M478 | H429-V434 WeakPolarHBondContact O-CB 3.3Å; H429-V434 WeakPolarHBondContact O-CG2 3.17Å; H429-V434 PolarHBondContact O-N 2.92Å; V434-P439 VanDerWaalsContact O-CD 3.32Å; V434-P439 WeakPolarHBondContact O-CD 3.34Å; V434-F475 HydrophobicContact CG2-CD2 4.09Å; V434-M478 HydrophobicContact CB-CE 4.46Å; V434-M478 HydrophobicContact CG1-CE 4.04Å; V434-M478 HydrophobicContact CG2-CE 3.64Å; V434-M478 HydrophobicContact CG2-SD 3.93Å |
| 435 | S | 81.4 | Confident | 83.3 | Confident | 76 Ų | 76 | 40.9 Ų | 40.9 | 53% | 0.531 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -88.3 | -16.5 | -170.2 | -54.6 | 0 | 0 | 0 | 0 | 115.6 | A430 I431 P439 | A430-S435 WeakPolarHBondContact O-CB 3.38Å; A430-S435 PolarHBondContact O-N 3.11Å; A430-S435 PolarHBondContact O-OG 2.9Å; I431-S435 WeakPolarHBondContact O-CB 3.32Å; S435-P439 WeakPolarHBondContact O-CG 3.48Å |
| 436 | I | 81.9 | Confident | 83 | Confident | 41 Ų | 41 | 40.4 Ų | 40.4 | 21% | 0.21 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -118.1 | -56.1 | -179.1 | -63.2 | 171.8 | 0 | 0 | 0 | 111.2 | Y366 I431 F432 A440 | Y366-I436 HydrophobicContact CD1-CG2 3.42Å; Y366-I436 VanDerWaalsContact CD1-CG2 3.42Å; Y366-I436 HydrophobicContact CE1-CG2 3.82Å; Y366-I436 HydrophobicContact CG-CG2 4.33Å; I431-I436 WeakPolarHBondContact O-CG1 3.48Å; F432-I436 WeakPolarHBondContact O-CB 3.31Å; F432-I436 PolarHBondContact O-N 3.34Å; I436-A440 WeakPolarHBondContact O-CB 3.34Å; I436-A440 PolarHBondContact O-N 3.27Å; I436-A440 VanDerWaalsContact O-N 3.15Å |
| 437 | I | 84.5 | Confident | 82.8 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -68.3 | -37.7 | 178.8 | -55.1 | -56.6 | 0 | 0 | 0 | 111.1 | Y366 F432 F433 A440 L441 F459 F475 | Y366-I437 HydrophobicContact CD1-CD1 4.29Å; Y366-I437 HydrophobicContact CD2-CD1 4.03Å; Y366-I437 HydrophobicContact CE1-CD1 3.92Å; Y366-I437 HydrophobicContact CE2-CD1 3.63Å; Y366-I437 HydrophobicContact CG-CD1 4.34Å; F432-I437 HydrophobicContact CD1-CG1 4.44Å; F432-I437 HydrophobicContact CE1-CD1 4.39Å; F432-I437 HydrophobicContact CE1-CG1 4.08Å; F432-I437 HydrophobicContact CE2-CD1 4.23Å; F432-I437 HydrophobicContact CE2-CG1 4.42Å; F432-I437 HydrophobicContact CZ-CD1 3.92Å; F432-I437 HydrophobicContact CZ-CG1 4.07Å; F432-I437 PolarHBondContact O-N 2.74Å; F433-I437 HydrophobicContact CD1-CG1 4.36Å; F433-I437 WeakPolarHBondContact O-CB 3.47Å; F433-I437 PolarHBondContact O-N 3.33Å; I437-A440 PolarHBondContact O-N 2.91Å; I437-L441 HydrophobicContact CG2-CD1 3.84Å; I437-L441 HydrophobicContact CG2-CG 4.05Å; I437-L441 WeakPolarHBondContact O-CG 3.42Å; I437-L441 PolarHBondContact O-N 3.38Å; I437-F459 HydrophobicContact CD1-CE2 3.97Å; I437-F475 HydrophobicContact CB-CE1 4.43Å; I437-F475 HydrophobicContact CB-CZ 4.34Å; I437-F475 HydrophobicContact CG2-CE1 3.93Å; I437-F475 HydrophobicContact CG2-CZ 4.12Å |
| 438 | G | 83.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -51.1 | -61.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F433 A440 L441 T442 Y554 | F433-G438 PolarHBondContact O-N 3.12Å; G438-A440 PolarHBondContact O-N 2.91Å; G438-L441 PolarHBondContact O-N 3.44Å; G438-T442 WeakPolarHBondContact O-CG2 3.37Å; G438-T442 PolarHBondContact O-N 2.88Å; G438-T442 PolarHBondContact O-OG1 3.04Å; G438-Y554 VanDerWaalsContact CA-OH 3.3Å; G438-Y554 WeakPolarHBondContact CA-OH 3.4Å |
| 439 | P | 83.9 | Confident | 82.8 | Confident | 66 Ų | 66 | 35.9 Ų | 35.9 | 43% | 0.429 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.8 | -44.1 | 173.8 | -30 | 37.9 | 0 | 0 | 0 | 113.6 | V434 S435 L441 T442 Q443 | V434-P439 VanDerWaalsContact O-CD 3.32Å; V434-P439 WeakPolarHBondContact O-CD 3.34Å; S435-P439 WeakPolarHBondContact O-CG 3.48Å; P439-L441 VanDerWaalsContact C-N 3.32Å; P439-L441 PolarHBondContact O-N 3.47Å; P439-T442 WeakPolarHBondContact CA-OG1 3.44Å; P439-T442 WeakPolarHBondContact O-CA 3.42Å; P439-T442 PolarHBondContact O-N 2.87Å; P439-T442 PolarHBondContact O-OG1 3.44Å; P439-Q443 WeakPolarHBondContact O-CG 3.39Å; P439-Q443 PolarHBondContact O-N 2.96Å |
| 440 | A | 82.8 | Confident | 82.8 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.4 | -40.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y366 I436 I437 G438 T442 A452 | Y366-A440 HydrophobicContact CE1-CB 4.49Å; I436-A440 WeakPolarHBondContact O-CB 3.34Å; I436-A440 PolarHBondContact O-N 3.27Å; I436-A440 VanDerWaalsContact O-N 3.15Å; I437-A440 PolarHBondContact O-N 2.91Å; G438-A440 PolarHBondContact O-N 2.91Å; A440-T442 PolarHBondContact O-N 3.41Å; A440-A452 HydrophobicContact CB-CB 4Å |
| 441 | L | 84.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.9 | -15.5 | 175 | -68.5 | 174.3 | 0 | 0 | 0 | 113.6 | I437 G438 P439 A452 T453 L456 F475 Y554 R561 | I437-L441 HydrophobicContact CG2-CD1 3.84Å; I437-L441 HydrophobicContact CG2-CG 4.05Å; I437-L441 WeakPolarHBondContact O-CG 3.42Å; I437-L441 PolarHBondContact O-N 3.38Å; G438-L441 PolarHBondContact O-N 3.44Å; P439-L441 VanDerWaalsContact C-N 3.32Å; P439-L441 PolarHBondContact O-N 3.47Å; L441-A452 HydrophobicContact CD2-CB 4.34Å; L441-T453 HydrophobicContact CD2-CG2 3.66Å; L441-L456 HydrophobicContact CD1-CD2 4.11Å; L441-L456 HydrophobicContact CD2-CD2 4.16Å; L441-F475 HydrophobicContact CD1-CE1 4.05Å; L441-F475 HydrophobicContact CD1-CZ 4.11Å; L441-Y554 HydrophobicContact CD1-CD1 4.4Å; L441-R561 VanDerWaalsContact O-CZ 3.23Å; L441-R561 PolarHBondContact O-NH1 3.46Å; L441-R561 PolarHBondContact O-NH2 3.39Å |
| 442 | T | 81.8 | Confident | 82.9 | Confident | 31 Ų | 31 | 31 Ų | 31 | 19% | 0.19 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | 5.1 | -175.2 | 62.1 | 0 | 0 | 0 | 0 | 114.9 | G438 P439 A440 L480 I484 Y554 L557 | G438-T442 WeakPolarHBondContact O-CG2 3.37Å; G438-T442 PolarHBondContact O-N 2.88Å; G438-T442 PolarHBondContact O-OG1 3.04Å; P439-T442 WeakPolarHBondContact CA-OG1 3.44Å; P439-T442 WeakPolarHBondContact O-CA 3.42Å; P439-T442 PolarHBondContact O-N 2.87Å; P439-T442 PolarHBondContact O-OG1 3.44Å; A440-T442 PolarHBondContact O-N 3.41Å; T442-L480 HydrophobicContact CG2-CD1 3.91Å; T442-I484 HydrophobicContact CG2-CD1 3.71Å; T442-Y554 HydrophobicContact CG2-CE1 4.09Å; T442-L557 HydrophobicContact CG2-CD1 4.04Å |
| 443 | Q | 80.7 | Confident | 83 | Confident | 84 Ų | 84 | 30.9 Ų | 30.9 | 39% | 0.393 | 17% | 0.17 | S | C | . | . | trans | -61.6 | 155 | -177.8 | -63 | -169.4 | 16.1 | 0 | 0 | 113.4 | P439 V449 | P439-Q443 WeakPolarHBondContact O-CG 3.39Å; P439-Q443 PolarHBondContact O-N 2.96Å; Q443-V449 HydrophobicContact CB-CG2 4.02Å; Q443-V449 WeakPolarHBondContact O-CG2 3.19Å | ||
| 444 | K | 76.1 | Confident | 83 | Confident | 190 Ų | 190 | 30.7 Ų | 30.7 | 83% | 0.826 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -75.5 | -27.1 | -177.7 | -68.6 | -177 | 177.1 | -179.5 | 0 | 113.9 | ||
| 445 | A | 80.3 | Confident | 83.1 | Confident | 26 Ų | 26 | 29.3 Ų | 29.3 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -90.4 | 123.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | E447 D448 V449 | A445-E447 VanDerWaalsContact C-N 3.27Å; A445-E447 PolarHBondContact O-N 2.86Å; A445-D448 VanDerWaalsContact CB-OD2 3.22Å; A445-D448 WeakPolarHBondContact CB-OD2 3.37Å; A445-D448 PolarHBondContact O-N 2.7Å; A445-V449 WeakPolarHBondContact O-CG2 3.42Å; A445-V449 PolarHBondContact O-N 2.89Å |
| 446 | P | 80.7 | Confident | 83.3 | Confident | 19 Ų | 19 | 25.8 Ų | 25.8 | 12% | 0.123 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67 | -25.4 | -176.7 | 29 | -37.3 | 0 | 0 | 0 | 113.3 | N377 V449 I450 M495 L569 | N377-P446 VanDerWaalsContact ND2-CG 3.3Å; N377-P446 WeakPolarHBondContact ND2-CG 3.08Å; P446-V449 PolarHBondContact O-N 2.79Å; P446-I450 WeakPolarHBondContact O-CB 3.39Å; P446-I450 WeakPolarHBondContact O-CD1 3.38Å; P446-I450 WeakPolarHBondContact O-CG1 3.46Å; P446-I450 PolarHBondContact O-N 2.74Å; P446-M495 HydrophobicContact CG-CE 3.97Å; P446-L569 HydrophobicContact CB-CD2 4.32Å |
| 447 | E | 82.7 | Confident | 83.5 | Confident | 39 Ų | 39 | 24.4 Ų | 24.4 | 18% | 0.182 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 179.8 | -60.6 | 73.4 | -159.7 | 0 | 0 | 111.8 | N377 A445 T451 | N377-E447 PolarHBondContact ND2-OE1 2.86Å; N377-E447 PolarHBondContact OD1-OE1 3.34Å; A445-E447 VanDerWaalsContact C-N 3.27Å; A445-E447 PolarHBondContact O-N 2.86Å; E447-T451 PolarHBondContact O-N 3.35Å; E447-T451 VanDerWaalsContact O-N 3.11Å; E447-T451 PolarHBondContact O-OG1 3.19Å |
| 448 | D | 83.5 | Confident | 83.4 | Confident | 17 Ų | 17 | 25.6 Ų | 25.6 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.3 | -39.9 | 174.6 | -58.9 | -59.4 | 0 | 0 | 0 | 110.4 | R372 A445 T451 A452 | R372-D448 WeakPolarHBondContact CG-OD1 3.47Å; R372-D448 IonicContact CZ-OD1 3.24Å; R372-D448 IonicContact CZ-OD2 2.78Å; R372-D448 IonicContact NE-OD1 2.71Å; R372-D448 PolarHBondContact NE-OD1 3Å; R372-D448 IonicContact NE-OD2 3.66Å; R372-D448 PolarHBondContact NE-OD2 2.94Å; R372-D448 IonicContact NH2-OD1 3.81Å; R372-D448 IonicContact NH2-OD2 3.82Å; R372-D448 PolarHBondContact NH2-OD2 2.93Å; A445-D448 VanDerWaalsContact CB-OD2 3.22Å; A445-D448 WeakPolarHBondContact CB-OD2 3.37Å; A445-D448 PolarHBondContact O-N 2.7Å; D448-T451 PolarHBondContact O-N 3.42Å; D448-A452 WeakPolarHBondContact O-CB 3.36Å; D448-A452 PolarHBondContact O-N 2.98Å |
| 449 | V | 85.6 | Confident | 83.4 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67 | -37.2 | 176.3 | 175 | 0 | 0 | 0 | 0 | 112.4 | Q443 A445 P446 T451 A452 T453 R561 L569 | Q443-V449 HydrophobicContact CB-CG2 4.02Å; Q443-V449 WeakPolarHBondContact O-CG2 3.19Å; A445-V449 WeakPolarHBondContact O-CG2 3.42Å; A445-V449 PolarHBondContact O-N 2.89Å; P446-V449 PolarHBondContact O-N 2.79Å; V449-T451 VanDerWaalsContact C-N 3.31Å; V449-A452 PolarHBondContact O-N 2.94Å; V449-T453 HydrophobicContact CG1-CG2 4.43Å; V449-T453 WeakPolarHBondContact O-CB 3.37Å; V449-T453 WeakPolarHBondContact O-CG2 3.37Å; V449-T453 PolarHBondContact O-N 2.99Å; V449-T453 PolarHBondContact O-OG1 3.11Å; V449-R561 VanDerWaalsContact CG1-CZ 3.42Å; V449-R561 VanDerWaalsContact CG1-NH1 3.26Å; V449-L569 HydrophobicContact CB-CD1 4.49Å; V449-L569 HydrophobicContact CG1-CD1 3.69Å; V449-L569 HydrophobicContact CG1-CD2 4.49Å |
| 450 | I | 84.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 172.2 | -75.9 | 158.1 | 0 | 0 | 0 | 109.5 | N377 L385 P446 T453 V454 L568 L569 | N377-I450 WeakPolarHBondContact OD1-CD1 3.35Å; L385-I450 HydrophobicContact CD1-CG2 3.73Å; P446-I450 WeakPolarHBondContact O-CB 3.39Å; P446-I450 WeakPolarHBondContact O-CD1 3.38Å; P446-I450 WeakPolarHBondContact O-CG1 3.46Å; P446-I450 PolarHBondContact O-N 2.74Å; I450-T453 WeakPolarHBondContact CA-OG1 3.37Å; I450-T453 PolarHBondContact O-N 3.05Å; I450-T453 PolarHBondContact O-OG1 2.9Å; I450-T453 VanDerWaalsContact O-OG1 3.1Å; I450-V454 WeakPolarHBondContact O-CB 3.31Å; I450-V454 VanDerWaalsContact O-CG2 3.31Å; I450-V454 WeakPolarHBondContact O-CG2 3.39Å; I450-V454 PolarHBondContact O-N 3.3Å; I450-L568 HydrophobicContact CD1-CB 3.89Å; I450-L568 HydrophobicContact CD1-CD2 4.1Å; I450-L568 HydrophobicContact CD1-CG 4.03Å; I450-L568 HydrophobicContact CG2-CD2 4.1Å; I450-L568 HydrophobicContact CG2-CG 4.2Å; I450-L569 HydrophobicContact CD1-CB 4.01Å; I450-L569 HydrophobicContact CG1-CB 3.77Å; I450-L569 HydrophobicContact CG1-CD1 3.99Å; I450-L569 HydrophobicContact CG1-CG 4.48Å |
| 451 | T | 84.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 179.3 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | P370 H371 L373 E447 D448 V449 V454 Y455 | P370-T451 WeakPolarHBondContact O-CG2 3.46Å; H371-T451 WeakPolarHBondContact O-CB 3.3Å; H371-T451 VanDerWaalsContact O-CG2 3.26Å; H371-T451 WeakPolarHBondContact O-CG2 3.35Å; H371-T451 PolarHBondContact O-OG1 3.29Å; L373-T451 HydrophobicContact CB-CG2 4.25Å; L373-T451 HydrophobicContact CD1-CG2 3.98Å; L373-T451 HydrophobicContact CG-CG2 3.75Å; L373-T451 PolarHBondContact N-OG1 2.9Å; E447-T451 PolarHBondContact O-N 3.35Å; E447-T451 VanDerWaalsContact O-N 3.11Å; E447-T451 PolarHBondContact O-OG1 3.19Å; D448-T451 PolarHBondContact O-N 3.42Å; V449-T451 VanDerWaalsContact C-N 3.31Å; T451-V454 WeakPolarHBondContact O-CB 3.46Å; T451-V454 PolarHBondContact O-N 2.81Å; T451-Y455 HydrophobicContact CG2-CD2 4Å; T451-Y455 HydrophobicContact CG2-CE2 3.44Å; T451-Y455 VanDerWaalsContact CG2-CE2 3.44Å; T451-Y455 VanDerWaalsContact O-CD2 3.31Å; T451-Y455 WeakPolarHBondContact O-CD2 3.18Å; T451-Y455 PolarHBondContact O-N 3.21Å |
| 452 | A | 86 | Confident | 83.1 | Confident | 5 Ų | 5 | 28.5 Ų | 28.5 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.6 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A440 L441 D448 V449 Y455 L456 | A440-A452 HydrophobicContact CB-CB 4Å; L441-A452 HydrophobicContact CD2-CB 4.34Å; D448-A452 WeakPolarHBondContact O-CB 3.36Å; D448-A452 PolarHBondContact O-N 2.98Å; V449-A452 PolarHBondContact O-N 2.94Å; A452-Y455 PolarHBondContact O-N 2.88Å; A452-L456 WeakPolarHBondContact O-CB 3.31Å; A452-L456 PolarHBondContact O-N 2.93Å |
| 453 | T | 85.5 | Confident | 83 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.7 | -32.9 | 177.5 | 45.9 | 0 | 0 | 0 | 0 | 112.5 | L441 V449 I450 E457 T572 L576 | L441-T453 HydrophobicContact CD2-CG2 3.66Å; V449-T453 HydrophobicContact CG1-CG2 4.43Å; V449-T453 WeakPolarHBondContact O-CB 3.37Å; V449-T453 WeakPolarHBondContact O-CG2 3.37Å; V449-T453 PolarHBondContact O-N 2.99Å; V449-T453 PolarHBondContact O-OG1 3.11Å; I450-T453 WeakPolarHBondContact CA-OG1 3.37Å; I450-T453 PolarHBondContact O-N 3.05Å; I450-T453 PolarHBondContact O-OG1 2.9Å; I450-T453 VanDerWaalsContact O-OG1 3.1Å; T453-E457 PolarHBondContact O-N 3.03Å; T453-E457 VanDerWaalsContact O-N 3.07Å; T453-T572 VanDerWaalsContact OG1-CG2 3.32Å; T453-T572 WeakPolarHBondContact OG1-CG2 3.18Å; T453-L576 HydrophobicContact CG2-CD2 4.4Å |
| 454 | V | 84.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.5 | -50 | 166.7 | 157.8 | 0 | 0 | 0 | 0 | 111.9 | L373 W382 L385 L389 I450 T451 L456 E457 Q458 T572 | L373-V454 HydrophobicContact CD1-CG1 4.17Å; W382-V454 HydrophobicContact CZ3-CG2 4.5Å; L385-V454 HydrophobicContact CD1-CG2 3.99Å; L385-V454 HydrophobicContact CD2-CG2 3.8Å; L385-V454 HydrophobicContact CG-CG2 4.29Å; L389-V454 HydrophobicContact CD1-CG1 3.38Å; L389-V454 HydrophobicContact CD1-CG2 4.41Å; L389-V454 HydrophobicContact CD2-CG1 3.49Å; L389-V454 VanDerWaalsContact CD2-CG1 3.49Å; L389-V454 HydrophobicContact CG-CG1 3.98Å; I450-V454 WeakPolarHBondContact O-CB 3.31Å; I450-V454 VanDerWaalsContact O-CG2 3.31Å; I450-V454 WeakPolarHBondContact O-CG2 3.39Å; I450-V454 PolarHBondContact O-N 3.3Å; T451-V454 WeakPolarHBondContact O-CB 3.46Å; T451-V454 PolarHBondContact O-N 2.81Å; V454-L456 VanDerWaalsContact C-N 3.34Å; V454-L456 PolarHBondContact O-N 3.5Å; V454-E457 WeakPolarHBondContact O-CB 3.1Å; V454-E457 PolarHBondContact O-N 3.37Å; V454-E457 VanDerWaalsContact O-N 3.17Å; V454-Q458 PolarHBondContact O-N 2.8Å; V454-Q458 VanDerWaalsContact O-N 3.08Å; V454-T572 HydrophobicContact CG2-CG2 3.65Å |
| 455 | Y | 85.3 | Confident | 82.5 | Confident | 7 Ų | 7 | 20.8 Ų | 20.8 | 3% | 0.027 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | -179.6 | -70.7 | -36.6 | 0 | 0 | 0 | 111.4 | Y366 L369 P370 L373 F399 T451 A452 E457 Q458 F459 | Y366-Y455 AromaticContact CE2-CD2 3.89Å; Y366-Y455 HydrophobicContact CE2-CD2 3.89Å; Y366-Y455 HydrophobicContact CE2-CG 4.32Å; L369-Y455 HydrophobicContact CB-CE2 4.16Å; L369-Y455 HydrophobicContact CD1-CE1 4.39Å; L369-Y455 HydrophobicContact CD1-CE2 4.3Å; P370-Y455 PolarHBondContact O-OH 2.94Å; L373-Y455 HydrophobicContact CD1-CE1 3.95Å; F399-Y455 HydrophobicContact CD2-CE1 4.21Å; F399-Y455 AromaticContact CE2-CD1 3.96Å; F399-Y455 HydrophobicContact CE2-CD1 3.96Å; F399-Y455 AromaticContact CE2-CE1 3.83Å; F399-Y455 HydrophobicContact CE2-CE1 3.83Å; T451-Y455 HydrophobicContact CG2-CD2 4Å; T451-Y455 HydrophobicContact CG2-CE2 3.44Å; T451-Y455 VanDerWaalsContact CG2-CE2 3.44Å; T451-Y455 VanDerWaalsContact O-CD2 3.31Å; T451-Y455 WeakPolarHBondContact O-CD2 3.18Å; T451-Y455 PolarHBondContact O-N 3.21Å; A452-Y455 PolarHBondContact O-N 2.88Å; Y455-E457 VanDerWaalsContact C-N 3.32Å; Y455-E457 PolarHBondContact O-N 3.42Å; Y455-Q458 PolarHBondContact O-N 3.15Å; Y455-Q458 VanDerWaalsContact O-N 3.15Å; Y455-F459 HydrophobicContact CG-CZ 4.43Å; Y455-F459 WeakPolarHBondContact O-CD1 3.36Å; Y455-F459 WeakPolarHBondContact O-CD2 3.13Å; Y455-F459 WeakPolarHBondContact O-CG 3.42Å; Y455-F459 PolarHBondContact O-N 2.91Å |
| 456 | L | 86.4 | Confident | 82.4 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.7 | -41.9 | 171.8 | 178.1 | 65.9 | 0 | 0 | 0 | 112.7 | L441 A452 V454 F459 I460 L472 L476 L576 | L441-L456 HydrophobicContact CD1-CD2 4.11Å; L441-L456 HydrophobicContact CD2-CD2 4.16Å; A452-L456 WeakPolarHBondContact O-CB 3.31Å; A452-L456 PolarHBondContact O-N 2.93Å; V454-L456 VanDerWaalsContact C-N 3.34Å; V454-L456 PolarHBondContact O-N 3.5Å; L456-F459 PolarHBondContact O-N 3.16Å; L456-I460 HydrophobicContact CD1-CD1 4.34Å; L456-I460 HydrophobicContact CG-CD1 4.19Å; L456-I460 WeakPolarHBondContact O-CG1 3.46Å; L456-I460 PolarHBondContact O-N 2.77Å; L456-L472 HydrophobicContact CD1-CD2 4.15Å; L456-L472 HydrophobicContact CD1-CG 4.49Å; L456-L476 HydrophobicContact CD2-CD2 4.07Å; L456-L576 HydrophobicContact CD2-CD1 4.01Å; L456-L576 HydrophobicContact CD2-CD2 3.81Å; L456-L576 HydrophobicContact CG-CD1 3.95Å |
| 457 | E | 85.2 | Confident | 82.2 | Confident | 13 Ų | 13 | 21.1 Ų | 21.1 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 175.5 | -176.7 | 173 | -148.3 | 0 | 0 | 111.5 | T453 V454 Y455 F459 I460 I461 S575 L576 T579 | T453-E457 PolarHBondContact O-N 3.03Å; T453-E457 VanDerWaalsContact O-N 3.07Å; V454-E457 WeakPolarHBondContact O-CB 3.1Å; V454-E457 PolarHBondContact O-N 3.37Å; V454-E457 VanDerWaalsContact O-N 3.17Å; Y455-E457 VanDerWaalsContact C-N 3.32Å; Y455-E457 PolarHBondContact O-N 3.42Å; E457-F459 PolarHBondContact O-N 3.13Å; E457-I460 PolarHBondContact O-N 3.48Å; E457-I461 HydrophobicContact CG-CD1 4.12Å; E457-I461 VanDerWaalsContact O-CG1 3.32Å; E457-I461 WeakPolarHBondContact O-CG1 3.18Å; E457-I461 PolarHBondContact O-N 2.77Å; E457-I461 VanDerWaalsContact O-N 3.08Å; E457-S575 VanDerWaalsContact OE1-CB 3.27Å; E457-S575 WeakPolarHBondContact OE1-CB 3.45Å; E457-S575 VanDerWaalsContact OE1-O 3.12Å; E457-S575 PolarHBondContact OE1-OG 2.78Å; E457-S575 PolarHBondContact OE2-OG 2.8Å; E457-L576 HydrophobicContact CB-CD1 4.03Å; E457-L576 PolarHBondContact OE1-N 3.31Å; E457-T579 HydrophobicContact CG-CG2 4.22Å; E457-T579 PolarHBondContact OE1-OG1 3.38Å |
| 458 | Q | 82.9 | Confident | 82.1 | Confident | 27 Ų | 27 | 19.4 Ų | 19.4 | 13% | 0.126 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 175 | -61.2 | -54 | -76.1 | 0 | 0 | 112.4 | V454 Y455 I461 H462 | V454-Q458 PolarHBondContact O-N 2.8Å; V454-Q458 VanDerWaalsContact O-N 3.08Å; Y455-Q458 PolarHBondContact O-N 3.15Å; Y455-Q458 VanDerWaalsContact O-N 3.15Å; Q458-I461 PolarHBondContact O-N 3.09Å; Q458-H462 PolarHBondContact O-CD2 3.4Å; Q458-H462 PolarHBondContact O-N 3.01Å |
| 459 | F | 83.4 | Confident | 82 | Confident | 3 Ų | 3 | 19.7 Ų | 19.7 | 1% | 0.013 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.8 | -37.9 | 177.5 | -55.7 | -18.8 | 0 | 0 | 0 | 111.9 | Y366 F402 F432 I437 Y455 L456 E457 T463 L472 | Y366-F459 AromaticContact CD2-CE2 3.89Å; Y366-F459 HydrophobicContact CD2-CE2 3.89Å; Y366-F459 AromaticContact CD2-CZ 3.65Å; Y366-F459 HydrophobicContact CD2-CZ 3.65Å; Y366-F459 AromaticContact CE2-CE2 3.73Å; Y366-F459 HydrophobicContact CE2-CE2 3.73Å; Y366-F459 AromaticContact CE2-CZ 3.71Å; Y366-F459 HydrophobicContact CE2-CZ 3.71Å; F402-F459 AromaticContact CD1-CE1 3.93Å; F402-F459 HydrophobicContact CD1-CE1 3.93Å; F402-F459 AromaticContact CE1-CD1 3.64Å; F402-F459 HydrophobicContact CE1-CD1 3.64Å; F402-F459 AromaticContact CE1-CE1 3.12Å; F402-F459 HydrophobicContact CE1-CE1 3.12Å; F402-F459 AromaticContact CE1-CZ 3.69Å; F402-F459 HydrophobicContact CE1-CZ 3.69Å; F402-F459 HydrophobicContact CE2-CZ 4.41Å; F402-F459 HydrophobicContact CZ-CD1 4.11Å; F402-F459 AromaticContact CZ-CE1 3.55Å; F402-F459 HydrophobicContact CZ-CE1 3.55Å; F402-F459 HydrophobicContact CZ-CE2 4.24Å; F402-F459 AromaticContact CZ-CZ 3.61Å; F402-F459 HydrophobicContact CZ-CZ 3.61Å; F432-F459 HydrophobicContact CZ-CD2 4.48Å; F432-F459 HydrophobicContact CZ-CE2 4.07Å; I437-F459 HydrophobicContact CD1-CE2 3.97Å; Y455-F459 HydrophobicContact CG-CZ 4.43Å; Y455-F459 WeakPolarHBondContact O-CD1 3.36Å; Y455-F459 WeakPolarHBondContact O-CD2 3.13Å; Y455-F459 WeakPolarHBondContact O-CG 3.42Å; Y455-F459 PolarHBondContact O-N 2.91Å; L456-F459 PolarHBondContact O-N 3.16Å; E457-F459 PolarHBondContact O-N 3.13Å; F459-T463 WeakPolarHBondContact O-CB 3.4Å; F459-T463 VanDerWaalsContact O-CG2 3.31Å; F459-T463 WeakPolarHBondContact O-CG2 3.3Å; F459-T463 PolarHBondContact O-N 2.98Å; F459-T463 PolarHBondContact O-OG1 2.86Å; F459-L472 HydrophobicContact CB-CD1 4.42Å |
| 460 | I | 83.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 172.4 | -70.4 | 166.6 | 0 | 0 | 0 | 110.2 | L456 E457 H462 T463 V464 L472 L576 T579 I580 L583 | L456-I460 HydrophobicContact CD1-CD1 4.34Å; L456-I460 HydrophobicContact CG-CD1 4.19Å; L456-I460 WeakPolarHBondContact O-CG1 3.46Å; L456-I460 PolarHBondContact O-N 2.77Å; E457-I460 PolarHBondContact O-N 3.48Å; I460-H462 PolarHBondContact O-N 2.98Å; I460-T463 PolarHBondContact O-N 3.29Å; I460-T463 PolarHBondContact O-OG1 3.41Å; I460-V464 VanDerWaalsContact O-CG2 3.3Å; I460-V464 WeakPolarHBondContact O-CG2 3.45Å; I460-V464 PolarHBondContact O-N 2.88Å; I460-L472 HydrophobicContact CD1-CD2 4Å; I460-L472 HydrophobicContact CG1-CD1 3.86Å; I460-L472 HydrophobicContact CG1-CD2 3.59Å; I460-L472 HydrophobicContact CG1-CG 4.42Å; I460-L576 HydrophobicContact CD1-CD1 3.65Å; I460-T579 HydrophobicContact CB-CG2 4.49Å; I460-T579 HydrophobicContact CG2-CG2 3.9Å; I460-I580 HydrophobicContact CD1-CD1 4.17Å; I460-I580 HydrophobicContact CD1-CG1 3.83Å; I460-L583 HydrophobicContact CG2-CD1 3.91Å; I460-L583 HydrophobicContact CG2-CD2 4.03Å; I460-L583 HydrophobicContact CG2-CG 4.28Å |
| 461 | I | 82.9 | Confident | 81.4 | Confident | 79 Ų | 79 | 23.9 Ų | 23.9 | 41% | 0.405 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.1 | -44 | 179.7 | -68.3 | 164.2 | 0 | 0 | 0 | 111.9 | E457 Q458 V464 T579 | E457-I461 HydrophobicContact CG-CD1 4.12Å; E457-I461 VanDerWaalsContact O-CG1 3.32Å; E457-I461 WeakPolarHBondContact O-CG1 3.18Å; E457-I461 PolarHBondContact O-N 2.77Å; E457-I461 VanDerWaalsContact O-N 3.08Å; Q458-I461 PolarHBondContact O-N 3.09Å; I461-V464 WeakPolarHBondContact O-CG2 3.17Å; I461-T579 HydrophobicContact CD1-CG2 4.25Å; I461-T579 HydrophobicContact CG1-CG2 3.78Å |
| 462 | H | 79.5 | Confident | 81.3 | Confident | 54 Ų | 54 | 23.8 Ų | 23.8 | 25% | 0.25 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.3 | -27.6 | 178.2 | -83 | -102.8 | 0 | 0 | 0 | 113.7 | L406 Q458 I460 V464 | L406-H462 HydrophobicContact CD2-CB 3.63Å; Q458-H462 PolarHBondContact O-CD2 3.4Å; Q458-H462 PolarHBondContact O-N 3.01Å; I460-H462 PolarHBondContact O-N 2.98Å; H462-V464 VanDerWaalsContact C-N 3.33Å; H462-V464 PolarHBondContact O-N 3.16Å |
| 463 | T | 79 | Confident | 81.1 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -83.9 | -0.2 | 178.1 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | L406 F459 I460 G465 S466 L468 | L406-T463 HydrophobicContact CD1-CG2 4.45Å; L406-T463 HydrophobicContact CD2-CG2 4.25Å; F459-T463 WeakPolarHBondContact O-CB 3.4Å; F459-T463 VanDerWaalsContact O-CG2 3.31Å; F459-T463 WeakPolarHBondContact O-CG2 3.3Å; F459-T463 PolarHBondContact O-N 2.98Å; F459-T463 PolarHBondContact O-OG1 2.86Å; I460-T463 PolarHBondContact O-N 3.29Å; I460-T463 PolarHBondContact O-OG1 3.41Å; T463-G465 PolarHBondContact O-N 2.93Å; T463-G465 VanDerWaalsContact O-N 3.1Å; T463-S466 WeakPolarHBondContact O-CB 3.33Å; T463-S466 PolarHBondContact O-N 3.45Å; T463-L468 HydrophobicContact CG2-CB 3.85Å; T463-L468 HydrophobicContact CG2-CD1 3.98Å |
| 464 | V | 75.1 | Confident | 80.8 | Confident | 78 Ų | 78 | 30.6 Ų | 30.6 | 47% | 0.473 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 117.6 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | I460 I461 H462 L583 | I460-V464 VanDerWaalsContact O-CG2 3.3Å; I460-V464 WeakPolarHBondContact O-CG2 3.45Å; I460-V464 PolarHBondContact O-N 2.88Å; I461-V464 WeakPolarHBondContact O-CG2 3.17Å; H462-V464 VanDerWaalsContact C-N 3.33Å; H462-V464 PolarHBondContact O-N 3.16Å; V464-L583 HydrophobicContact CG2-CD2 3.78Å |
| 465 | G | 70.5 | Confident | 80.7 | Confident | 62 Ų | 62 | 30.5 Ų | 30.5 | 64% | 0.639 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | 1.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | T463 | T463-G465 PolarHBondContact O-N 2.93Å; T463-G465 VanDerWaalsContact O-N 3.1Å |
| 466 | S | 78.4 | Confident | 80.4 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -93.2 | 152.7 | 171.7 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | T463 L468 L469 | T463-S466 WeakPolarHBondContact O-CB 3.33Å; T463-S466 PolarHBondContact O-N 3.45Å; S466-L468 PolarHBondContact O-N 3.44Å; S466-L468 PolarHBondContact OG-N 2.91Å; S466-L469 WeakPolarHBondContact O-CB 3.34Å; S466-L469 PolarHBondContact O-N 2.73Å; S466-L469 VanDerWaalsContact O-N 3.1Å |
| 467 | S | 76.3 | Confident | 80.1 | Confident | 43 Ų | 43 | 33.1 Ų | 33.1 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -10.7 | 168 | 49.9 | 0 | 0 | 0 | 0 | 114 | L413 L469 P470 | L413-S467 WeakPolarHBondContact CB-OG 3.44Å; S467-L469 VanDerWaalsContact C-N 3.33Å; S467-P470 WeakPolarHBondContact O-CD 3.16Å |
| 468 | L | 80.8 | Confident | 79.8 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -30.8 | 168.3 | -67.7 | 172.1 | 0 | 0 | 0 | 113.1 | L406 L413 L425 I428 T463 S466 I471 L472 | L406-L468 HydrophobicContact CD1-CD1 4.37Å; L413-L468 HydrophobicContact CD1-CD2 3.5Å; L413-L468 HydrophobicContact CD1-CG 3.72Å; L425-L468 HydrophobicContact CD1-CD2 3.97Å; I428-L468 HydrophobicContact CD1-CD2 3.9Å; I428-L468 HydrophobicContact CG2-CD2 4.22Å; T463-L468 HydrophobicContact CG2-CB 3.85Å; T463-L468 HydrophobicContact CG2-CD1 3.98Å; S466-L468 PolarHBondContact O-N 3.44Å; S466-L468 PolarHBondContact OG-N 2.91Å; L468-I471 PolarHBondContact O-N 3.09Å; L468-I471 VanDerWaalsContact O-N 3.16Å; L468-L472 PolarHBondContact O-N 2.7Å |
| 469 | L | 82.2 | Confident | 79.3 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -49.8 | -171.6 | 178.9 | 64.5 | 0 | 0 | 0 | 113.3 | S466 S467 I471 L472 L473 L583 | S466-L469 WeakPolarHBondContact O-CB 3.34Å; S466-L469 PolarHBondContact O-N 2.73Å; S466-L469 VanDerWaalsContact O-N 3.1Å; S467-L469 VanDerWaalsContact C-N 3.33Å; L469-I471 PolarHBondContact O-N 3.27Å; L469-L472 PolarHBondContact O-N 2.89Å; L469-L473 HydrophobicContact CD1-CD1 4.18Å; L469-L473 HydrophobicContact CD1-CD2 4.41Å; L469-L473 HydrophobicContact CD1-CG 4.07Å; L469-L473 HydrophobicContact CG-CD1 4.06Å; L469-L473 HydrophobicContact CG-CG 4.36Å; L469-L473 VanDerWaalsContact O-CG 3.26Å; L469-L473 WeakPolarHBondContact O-CG 3.23Å; L469-L473 PolarHBondContact O-N 3.45Å; L469-L583 HydrophobicContact CD1-CD1 4.09Å; L469-L583 HydrophobicContact CD2-CD2 4.42Å |
| 470 | P | 78.8 | Confident | 78.6 | Confident | 63 Ų | 63 | 39 Ų | 39 | 41% | 0.409 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -54.6 | -26.9 | 176 | -27.4 | 35.6 | 0 | 0 | 0 | 114.5 | S467 R474 | S467-P470 WeakPolarHBondContact O-CD 3.16Å; P470-R474 WeakPolarHBondContact O-CB 3.5Å; P470-R474 PolarHBondContact O-N 3.26Å |
| 471 | I | 79 | Confident | 77.6 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 14% | 0.138 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -87.7 | -37.6 | -176.1 | -73 | -89.5 | 0 | 0 | 0 | 111.7 | L425 H429 F433 L468 L469 L473 R474 F475 | L425-I471 HydrophobicContact CD1-CB 4.11Å; L425-I471 HydrophobicContact CD1-CG1 3.81Å; L425-I471 HydrophobicContact CD1-CG2 4.32Å; L425-I471 HydrophobicContact CD2-CD1 4.17Å; L425-I471 HydrophobicContact CD2-CG1 3.78Å; L425-I471 HydrophobicContact CG-CB 4.37Å; L425-I471 HydrophobicContact CG-CD1 3.93Å; L425-I471 HydrophobicContact CG-CG1 3.6Å; H429-I471 HydrophobicContact CB-CG2 3.82Å; F433-I471 HydrophobicContact CD2-CG2 4.02Å; F433-I471 HydrophobicContact CE2-CG2 4.05Å; L468-I471 PolarHBondContact O-N 3.09Å; L468-I471 VanDerWaalsContact O-N 3.16Å; L469-I471 PolarHBondContact O-N 3.27Å; I471-L473 VanDerWaalsContact C-N 3.29Å; I471-R474 PolarHBondContact O-N 2.83Å; I471-F475 PolarHBondContact O-N 2.85Å |
| 472 | L | 82.3 | Confident | 76 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 166.4 | -169.1 | 163.3 | 0 | 0 | 0 | 110 | F433 L456 F459 I460 L468 L469 F475 L476 | F433-L472 HydrophobicContact CE1-CB 4.14Å; F433-L472 HydrophobicContact CE1-CD1 3.92Å; F433-L472 HydrophobicContact CE1-CG 3.83Å; F433-L472 HydrophobicContact CE2-CB 4.24Å; F433-L472 HydrophobicContact CZ-CB 3.81Å; F433-L472 HydrophobicContact CZ-CD1 4.04Å; F433-L472 HydrophobicContact CZ-CG 4Å; L456-L472 HydrophobicContact CD1-CD2 4.15Å; L456-L472 HydrophobicContact CD1-CG 4.49Å; F459-L472 HydrophobicContact CB-CD1 4.42Å; I460-L472 HydrophobicContact CD1-CD2 4Å; I460-L472 HydrophobicContact CG1-CD1 3.86Å; I460-L472 HydrophobicContact CG1-CD2 3.59Å; I460-L472 HydrophobicContact CG1-CG 4.42Å; L468-L472 PolarHBondContact O-N 2.7Å; L469-L472 PolarHBondContact O-N 2.89Å; L472-F475 WeakPolarHBondContact O-CB 3.43Å; L472-F475 PolarHBondContact O-N 3.19Å; L472-L476 HydrophobicContact CD2-CD1 3.76Å; L472-L476 HydrophobicContact CD2-CG 4.18Å; L472-L476 WeakPolarHBondContact O-CG 3.34Å; L472-L476 PolarHBondContact O-N 3.09Å |
| 473 | L | 80.7 | Confident | 74.4 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -40.6 | 175.6 | -63.8 | 179 | 0 | 0 | 0 | 112.6 | L469 I471 F475 L476 L477 L583 C585 I588 | L469-L473 HydrophobicContact CD1-CD1 4.18Å; L469-L473 HydrophobicContact CD1-CD2 4.41Å; L469-L473 HydrophobicContact CD1-CG 4.07Å; L469-L473 HydrophobicContact CG-CD1 4.06Å; L469-L473 HydrophobicContact CG-CG 4.36Å; L469-L473 VanDerWaalsContact O-CG 3.26Å; L469-L473 WeakPolarHBondContact O-CG 3.23Å; L469-L473 PolarHBondContact O-N 3.45Å; I471-L473 VanDerWaalsContact C-N 3.29Å; L473-F475 VanDerWaalsContact C-N 3.33Å; L473-F475 PolarHBondContact O-N 3.17Å; L473-L476 HydrophobicContact CD2-CD1 4.38Å; L473-L476 PolarHBondContact O-N 2.85Å; L473-L477 WeakPolarHBondContact O-CG 3.42Å; L473-L477 PolarHBondContact O-N 3.34Å; L473-L583 HydrophobicContact CD2-CD1 4.27Å; L473-C585 HydrophobicContact CD1-CB 4.34Å; L473-I588 HydrophobicContact CD1-CD1 3.78Å; L473-I588 HydrophobicContact CD1-CG1 4.22Å; L473-I588 HydrophobicContact CD2-CD1 3.38Å; L473-I588 HydrophobicContact CD2-CG1 4.16Å; L473-I588 HydrophobicContact CG-CD1 4.15Å |
| 474 | R | 79.9 | Confident | 72.7 | Confident | 127 Ų | 127 | 49.2 Ų | 49.2 | 48% | 0.479 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 172.9 | -175.7 | 175.9 | -177.6 | 149.4 | 4.4 | 112.2 | P470 I471 L477 M478 | P470-R474 WeakPolarHBondContact O-CB 3.5Å; P470-R474 PolarHBondContact O-N 3.26Å; I471-R474 PolarHBondContact O-N 2.83Å; R474-L477 CarbonylContact O-C 3.56Å; R474-L477 PolarHBondContact O-N 3.46Å; R474-M478 PolarHBondContact O-N 3.16Å; R474-M478 VanDerWaalsContact O-N 3.1Å |
| 475 | F | 81.9 | Confident | 70.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 174.8 | 159.5 | -104.8 | 0 | 0 | 0 | 112 | F433 V434 I437 L441 I471 L472 L473 L477 M478 Y554 | F433-F475 HydrophobicContact CB-CB 3.96Å; F433-F475 HydrophobicContact CB-CD1 4.12Å; F433-F475 HydrophobicContact CB-CD2 3.94Å; F433-F475 HydrophobicContact CB-CG 3.72Å; F433-F475 HydrophobicContact CD1-CD1 4.44Å; F433-F475 HydrophobicContact CG-CB 4.45Å; F433-F475 HydrophobicContact CG-CG 4.44Å; F433-F475 WeakPolarHBondContact O-CE2 3.25Å; F433-F475 WeakPolarHBondContact O-CZ 3.26Å; V434-F475 HydrophobicContact CG2-CD2 4.09Å; I437-F475 HydrophobicContact CB-CE1 4.43Å; I437-F475 HydrophobicContact CB-CZ 4.34Å; I437-F475 HydrophobicContact CG2-CE1 3.93Å; I437-F475 HydrophobicContact CG2-CZ 4.12Å; L441-F475 HydrophobicContact CD1-CE1 4.05Å; L441-F475 HydrophobicContact CD1-CZ 4.11Å; I471-F475 PolarHBondContact O-N 2.85Å; L472-F475 WeakPolarHBondContact O-CB 3.43Å; L472-F475 PolarHBondContact O-N 3.19Å; L473-F475 VanDerWaalsContact C-N 3.33Å; L473-F475 PolarHBondContact O-N 3.17Å; F475-L477 VanDerWaalsContact C-N 3.28Å; F475-L477 PolarHBondContact O-N 2.91Å; F475-M478 WeakPolarHBondContact O-CB 3.32Å; F475-M478 PolarHBondContact O-N 3.34Å; F475-Y554 HydrophobicContact CD2-CE2 4.42Å; F475-Y554 HydrophobicContact CE2-CD2 4.05Å; F475-Y554 HydrophobicContact CE2-CE1 4.3Å; F475-Y554 AromaticContact CE2-CE2 3.77Å; F475-Y554 HydrophobicContact CE2-CE2 3.77Å; F475-Y554 HydrophobicContact CE2-CG 4.46Å; F475-Y554 AromaticContact CE2-CZ 3.9Å; F475-Y554 HydrophobicContact CZ-CD1 4.23Å; F475-Y554 HydrophobicContact CZ-CD2 4.42Å; F475-Y554 HydrophobicContact CZ-CE1 4.16Å; F475-Y554 HydrophobicContact CZ-CE2 4.36Å; F475-Y554 HydrophobicContact CZ-CG 4.37Å |
| 476 | L | 80 | Confident | 69.3 | Low | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -38 | 176.5 | -68.5 | 176.9 | 0 | 0 | 0 | 112.2 | L456 L472 L473 M478 Y554 M555 I558 I580 | L456-L476 HydrophobicContact CD2-CD2 4.07Å; L472-L476 HydrophobicContact CD2-CD1 3.76Å; L472-L476 HydrophobicContact CD2-CG 4.18Å; L472-L476 WeakPolarHBondContact O-CG 3.34Å; L472-L476 PolarHBondContact O-N 3.09Å; L473-L476 HydrophobicContact CD2-CD1 4.38Å; L473-L476 PolarHBondContact O-N 2.85Å; L476-M478 PolarHBondContact O-N 3.41Å; L476-Y554 WeakPolarHBondContact O-CB 3.39Å; L476-M555 HydrophobicContact CB-CG 4.05Å; L476-M555 HydrophobicContact CB-SD 3.87Å; L476-M555 HydrophobicContact CD1-SD 4.29Å; L476-M555 HydrophobicContact CG-SD 4.47Å; L476-M555 WeakPolarHBondContact O-CG 3.35Å; L476-M555 PolarHBondContact O-N 3.26Å; L476-I558 HydrophobicContact CD2-CD1 3.82Å; L476-I580 HydrophobicContact CD1-CD1 4.13Å |
| 477 | L | 79.3 | Confident | 67 | Low | 60 Ų | 60 | 58.9 Ų | 58.9 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -3.4 | 175 | -65.7 | 175.5 | 0 | 0 | 0 | 113.8 | L473 R474 F475 M555 V591 | L473-L477 WeakPolarHBondContact O-CG 3.42Å; L473-L477 PolarHBondContact O-N 3.34Å; R474-L477 CarbonylContact O-C 3.56Å; R474-L477 PolarHBondContact O-N 3.46Å; F475-L477 VanDerWaalsContact C-N 3.28Å; F475-L477 PolarHBondContact O-N 2.91Å; L477-M555 HydrophobicContact CD2-CG 4.18Å; L477-V591 HydrophobicContact CD1-CG2 4.47Å; L477-V591 HydrophobicContact CD2-CB 4.02Å; L477-V591 HydrophobicContact CD2-CG1 3.77Å; L477-V591 HydrophobicContact CD2-CG2 3.96Å |
| 478 | M | 79 | Confident | 64.8 | Low | 47 Ų | 47 | 60.6 Ų | 60.6 | 23% | 0.232 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -76.2 | 149.3 | -177.4 | -157.9 | -179.2 | 72 | 0 | 0 | 111.9 | V434 R474 F475 L476 T553 Y554 | V434-M478 HydrophobicContact CB-CE 4.46Å; V434-M478 HydrophobicContact CG1-CE 4.04Å; V434-M478 HydrophobicContact CG2-CE 3.64Å; V434-M478 HydrophobicContact CG2-SD 3.93Å; R474-M478 PolarHBondContact O-N 3.16Å; R474-M478 VanDerWaalsContact O-N 3.1Å; F475-M478 WeakPolarHBondContact O-CB 3.32Å; F475-M478 PolarHBondContact O-N 3.34Å; L476-M478 PolarHBondContact O-N 3.41Å; M478-T553 VanDerWaalsContact O-CA 3.24Å; M478-T553 WeakPolarHBondContact O-CA 3.41Å; M478-T553 VanDerWaalsContact O-CB 3.31Å; M478-T553 WeakPolarHBondContact O-CB 3.38Å; M478-Y554 HydrophobicContact CE-CE2 4.06Å; M478-Y554 PolarHBondContact O-N 3.19Å |
| 479 | K | 71.9 | Confident | 62.5 | Low | 104 Ų | 104 | 66.1 Ų | 66.1 | 45% | 0.452 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -62 | 138.2 | 170.7 | -60.6 | 179.6 | 174.7 | -145.5 | 0 | 110.4 | S551 | K479-S551 WeakPolarHBondContact CD-OG 3.42Å; K479-S551 WeakPolarHBondContact CE-OG 3.43Å; K479-S551 WeakPolarHBondContact CG-OG 3.2Å; K479-S551 PolarHBondContact NZ-OG 2.78Å |
| 480 | L | 70 | Confident | 60.2 | Low | 15 Ų | 15 | 67.8 Ų | 67.8 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 139.9 | 175.5 | -158.5 | 75.8 | 0 | 0 | 0 | 110.2 | T442 S482 I484 F486 I552 Y554 L557 | T442-L480 HydrophobicContact CG2-CD1 3.91Å; L480-S482 PolarHBondContact O-N 3.15Å; L480-I484 HydrophobicContact CD2-CB 4.45Å; L480-I484 HydrophobicContact CD2-CD1 4.28Å; L480-F486 HydrophobicContact CD2-CE2 3.57Å; L480-F486 HydrophobicContact CD2-CZ 4.17Å; L480-I552 WeakPolarHBondContact CB-O 3.34Å; L480-I552 PolarHBondContact N-O 3.04Å; L480-Y554 HydrophobicContact CD1-CD1 3.64Å; L480-Y554 HydrophobicContact CD1-CD2 4.13Å; L480-Y554 HydrophobicContact CD1-CE1 3.38Å; L480-Y554 HydrophobicContact CD1-CE2 3.9Å; L480-Y554 HydrophobicContact CD1-CG 4Å; L480-L557 HydrophobicContact CD1-CD1 4.09Å; L480-L557 HydrophobicContact CD2-CD1 4.02Å |
| 481 | P | 62.8 | Low | 58 | Low | 61 Ų | 61 | 70 Ų | 70 | 40% | 0.396 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 130.3 | 173 | -26.6 | 35.7 | 0 | 0 | 0 | 112.1 | T483 | P481-T483 PolarHBondContact O-N 3.33Š|
| 482 | S | 48.3 | Very low | 55.7 | Low | 102 Ų | 102 | 75.2 Ų | 75.2 | 71% | 0.713 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 4.5 | -167.9 | -42 | 0 | 0 | 0 | 0 | 116.1 | L480 | L480-S482 PolarHBondContact O-N 3.15Š|
| 483 | T | 45.6 | Very low | 53.2 | Low | 127 Ų | 127 | 80.4 Ų | 80.4 | 78% | 0.779 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -4 | -176.9 | 48.2 | 0 | 0 | 0 | 0 | 113.9 | P481 | P481-T483 PolarHBondContact O-N 3.33Š|
| 484 | I | 44.9 | Very low | 50.7 | Low | 60 Ų | 60 | 87.1 Ų | 87.1 | 31% | 0.308 | 46% | 0.464 | S | S | . | . | trans | -103.3 | 92.4 | -178.3 | -47.8 | -176.8 | 0 | 0 | 0 | 110.1 | T442 L480 F486 | T442-I484 HydrophobicContact CG2-CD1 3.71Å; L480-I484 HydrophobicContact CD2-CB 4.45Å; L480-I484 HydrophobicContact CD2-CD1 4.28Å; I484-F486 HydrophobicContact CB-CE2 4.01Å; I484-F486 HydrophobicContact CG2-CD2 4Å; I484-F486 HydrophobicContact CG2-CE1 4.32Å; I484-F486 HydrophobicContact CG2-CE2 3.43Å; I484-F486 VanDerWaalsContact CG2-CE2 3.43Å; I484-F486 HydrophobicContact CG2-CZ 3.61Å; I484-F486 WeakPolarHBondContact O-CD2 3.42Å; I484-F486 PolarHBondContact O-N 3.44Å | ||
| 485 | I | 35.6 | Very low | 48.3 | Very low | 144 Ų | 144 | 87.4 Ų | 87.4 | 74% | 0.738 | 47% | 0.472 | S | S | * | . | trans | -74.1 | 112.1 | 170.3 | -60.5 | 174.9 | 0 | 0 | 0 | 108.3 | D487 | I485-D487 PolarHBondContact O-N 2.99Š| ||
| 486 | F | 38.6 | Very low | 45.6 | Very low | 93 Ų | 93 | 93 Ų | 93 | 41% | 0.408 | 51% | 0.507 | S | S | . | . | trans | -84.6 | 92.3 | 172.9 | -75.7 | -86 | 0 | 0 | 0 | 110.6 | L480 I484 A488 L557 | L480-F486 HydrophobicContact CD2-CE2 3.57Å; L480-F486 HydrophobicContact CD2-CZ 4.17Å; I484-F486 HydrophobicContact CB-CE2 4.01Å; I484-F486 HydrophobicContact CG2-CD2 4Å; I484-F486 HydrophobicContact CG2-CE1 4.32Å; I484-F486 HydrophobicContact CG2-CE2 3.43Å; I484-F486 VanDerWaalsContact CG2-CE2 3.43Å; I484-F486 HydrophobicContact CG2-CZ 3.61Å; I484-F486 WeakPolarHBondContact O-CD2 3.42Å; I484-F486 PolarHBondContact O-N 3.44Å; F486-A488 PolarHBondContact O-N 3.14Å; F486-L557 HydrophobicContact CE1-CD1 4.45Å; F486-L557 HydrophobicContact CE2-CD1 4.34Å; F486-L557 HydrophobicContact CZ-CD1 3.65Å | ||
| 487 | D | 29.7 | Very low | 43 | Very low | 115 Ų | 115 | 98.7 Ų | 98.7 | 62% | 0.615 | 54% | 0.542 | S | S | * | . | trans | -65.6 | 86.1 | 162.5 | -77.4 | -23.6 | 0 | 0 | 0 | 109.3 | I485 N489 S490 | I485-D487 PolarHBondContact O-N 2.99Å; D487-N489 PolarHBondContact O-N 3.48Å; D487-S490 WeakPolarHBondContact O-CB 3.5Å; D487-S490 PolarHBondContact O-N 3.42Å; D487-S490 PolarHBondContact O-OG 3.14Å | ||
| 488 | A | 30.7 | Very low | 40.5 | Very low | 79 Ų | 79 | 100.7 Ų | 100.7 | 65% | 0.653 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -55.2 | -23.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F486 | F486-A488 PolarHBondContact O-N 3.14Å |
| 489 | N | 30.7 | Very low | 37.8 | Very low | 119 Ų | 119 | 105.7 Ų | 105.7 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -83.3 | -11.3 | 179.4 | -63.9 | -26.1 | 0 | 0 | 0 | 114.1 | D487 N493 | D487-N489 PolarHBondContact O-N 3.48Å; N489-N493 PolarHBondContact O-ND2 3.08Å |
| 490 | S | 33.9 | Very low | 35.7 | Very low | 57 Ų | 57 | 106 Ų | 106 | 40% | 0.399 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -79.3 | -50.8 | -176.2 | 65.2 | 0 | 0 | 0 | 0 | 112.9 | D487 M492 | D487-S490 WeakPolarHBondContact O-CB 3.5Å; D487-S490 PolarHBondContact O-N 3.42Å; D487-S490 PolarHBondContact O-OG 3.14Å; S490-M492 VanDerWaalsContact C-N 3.32Å; S490-M492 PolarHBondContact O-N 3.35Å |
| 491 | Q | 33.3 | Very low | 33.5 | Very low | 111 Ų | 111 | 111.6 Ų | 111.6 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.8 | -22.8 | -179.7 | -68.4 | -169.7 | -10.9 | 0 | 0 | 113.3 | ||
| 492 | M | 30.4 | Very low | 31.9 | Very low | 135 Ų | 135 | 115 Ų | 115 | 67% | 0.665 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -19 | -176.6 | -166.3 | 160.6 | 64.9 | 0 | 0 | 113.8 | S490 | S490-M492 VanDerWaalsContact C-N 3.32Å; S490-M492 PolarHBondContact O-N 3.35Å |
| 493 | N | 29.4 | Very low | 31 | Very low | 109 Ų | 109 | 115.7 Ų | 115.7 | 58% | 0.583 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -114.7 | 3.1 | -168.7 | -71.8 | -56.3 | 0 | 0 | 0 | 115.6 | N489 | N489-N493 PolarHBondContact O-ND2 3.08Š|
| 494 | Q | 29.6 | Very low | 30 | Very low | 162 Ų | 162 | 119.1 Ų | 119.1 | 76% | 0.757 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -117.6 | 4.9 | -172.9 | -65.7 | -168 | -2.1 | 0 | 0 | 115.9 | ||
| 495 | M | 28.4 | Very low | 29.1 | Very low | 133 Ų | 133 | 119.7 Ų | 119.7 | 66% | 0.655 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -119.9 | 18.7 | -178.7 | -70.4 | -175.7 | 177.2 | 0 | 0 | 114.8 | P446 | P446-M495 HydrophobicContact CG-CE 3.97Š|
| 496 | T | 25 | Very low | 28.8 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | trans | -116.7 | 23.7 | -174.9 | 48.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 497 | T | 26.2 | Very low | 28.2 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | -146.7 | 141.2 | 169.7 | 47.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 498 | S | 26.6 | Very low | 28.5 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | cis | -164 | 134.8 | -2.9 | 48.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 499 | T | 22.4 | Very low | 28.2 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 93% | 0.933 | 73% | 0.734 | S | S | * | * | trans | -100.7 | 98.3 | 171.6 | 45.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 500 | S | 27.5 | Very low | 27.8 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -154.2 | 126.1 | 164.5 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 501 | T | 25.2 | Very low | 27.3 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -67.3 | 135.7 | 179.1 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 502 | T | 28.7 | Very low | 26.7 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | 172.5 | 141.1 | 111.9 | 43.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 503 | P | 29 | Very low | 26.4 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -92.9 | 159.8 | 176.5 | 37.7 | -34.9 | 0 | 0 | 0 | 113.6 | ||||
| 504 | E | 24.7 | Very low | 26.3 | Very low | 199 Ų | 199 | 130.7 Ų | 130.7 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | 143.7 | 135.6 | 144.3 | -83.3 | -177.8 | -175.6 | 0 | 0 | 113.1 | ||||
| 505 | G | 25.8 | Very low | 26 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | 112 | 118.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 506 | I | 30.4 | Very low | 25.9 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | 86 | 136.4 | 157.3 | -52.7 | 171.9 | 0 | 0 | 0 | 116.5 | ||||
| 507 | S | 25.1 | Very low | 25.8 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -103.7 | 169.8 | -156.3 | -30.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 508 | P | 36.4 | Very low | 25.8 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -96.6 | 161.2 | -162.4 | 38.1 | -36.5 | 0 | 0 | 0 | 115.5 | ||||
| 509 | A | 23.4 | Very low | 25.6 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -163 | 120.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 510 | G | 23 | Very low | 25.7 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | 63.7 | 178.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 511 | S | 22.7 | Very low | 25.5 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | cis | -180 | 129.5 | -21.1 | 46.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 512 | Y | 22 | Very low | 25.5 | Very low | 211 Ų | 211 | 131.1 Ų | 131.1 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | 30.4 | 109.2 | 157.4 | -60.6 | -79.7 | 0 | 0 | 0 | 120.7 | ||||
| 513 | Q | 24.1 | Very low | 25.3 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -173.6 | 128.6 | 131.7 | -99.3 | 152.6 | 32.5 | 0 | 0 | 107.2 | ||||
| 514 | S | 26.2 | Very low | 25.1 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | cis | 59.3 | 73.9 | 17.5 | -62 | 0 | 0 | 0 | 0 | 115 | ||||
| 515 | S | 24.5 | Very low | 25.1 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | -135.8 | 133 | 139.2 | 56.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 516 | S | 24.6 | Very low | 25.1 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | cis | 62.4 | 78.8 | 22.2 | 90.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 517 | V | 23.5 | Very low | 24.8 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -117.1 | 80.7 | 161.3 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | A519 | V517-A519 HydrophobicContact CG1-CB 4.34Š| ||
| 518 | E | 26.4 | Very low | 24.7 | Very low | 195 Ų | 195 | 129 Ų | 129 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | trans | -89.2 | 90.5 | 158.9 | -176.6 | 175.4 | -147 | 0 | 0 | 107.5 | ||||
| 519 | A | 23 | Very low | 24.1 | Very low | 67 Ų | 67 | 128.9 Ų | 128.9 | 55% | 0.554 | 76% | 0.758 | S | S | * | * | trans | -155.4 | 102.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | V517 | V517-A519 HydrophobicContact CG1-CB 4.34Š| ||
| 520 | T | 24.3 | Very low | 24.2 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | 61.3 | 132.4 | 74 | 73.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 521 | L | 22.5 | Very low | 24.4 | Very low | 159 Ų | 159 | 135 Ų | 135 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | 84.9 | 103.6 | 169.5 | -55.9 | 172.5 | 0 | 0 | 0 | 119.2 | ||||
| 522 | K | 24.7 | Very low | 24.8 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 70% | 0.7 | 75% | 0.751 | S | S | * | * | trans | 67.1 | 95.3 | 143.5 | -63.1 | -164.2 | 165.8 | -139 | 0 | 119.5 | D524 | K522-D524 HydrophobicContact CB-CB 4.44Å; K522-D524 IonicContact NZ-OD2 2.73Å; K522-D524 PolarHBondContact O-N 3.08Å | ||
| 523 | D | 26 | Very low | 24.9 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 94% | 0.941 | 75% | 0.749 | S | S | * | * | trans | -66.1 | 112.6 | 133.8 | -83.9 | -54.9 | 0 | 0 | 0 | 109.1 | ||||
| 524 | D | 24.7 | Very low | 25.1 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 56% | 0.561 | 74% | 0.737 | S | S | * | * | trans | -151.6 | 79.7 | 171.1 | -139.4 | -20 | 0 | 0 | 0 | 109.7 | K522 | K522-D524 HydrophobicContact CB-CB 4.44Å; K522-D524 IonicContact NZ-OD2 2.73Å; K522-D524 PolarHBondContact O-N 3.08Å | ||
| 525 | N | 24.4 | Very low | 25.1 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | trans | 73.3 | 129.6 | 157.6 | -63.9 | -71.6 | 0 | 0 | 0 | 121.5 | ||||
| 526 | N | 24.3 | Very low | 25.3 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | 70.6 | 108.3 | 141.5 | -62.5 | -25.7 | 0 | 0 | 0 | 122.2 | ||||
| 527 | S | 24.5 | Very low | 25.2 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | 72.8 | 160.6 | 140.7 | 86.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 528 | S | 24.4 | Very low | 25.5 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | cis | -149.9 | 148.2 | 5.5 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 529 | V | 23.3 | Very low | 25.4 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | trans | 33 | 112.6 | 141.1 | -172.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 530 | F | 25.6 | Very low | 25.5 | Very low | 201 Ų | 201 | 131.5 Ų | 131.5 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | -172.2 | 102.9 | 111.2 | -102.5 | -66.3 | 0 | 0 | 0 | 113.4 | |||||
| 531 | S | 25.7 | Very low | 25.7 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | -89.1 | -174.2 | 154.3 | -33.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 532 | P | 32.4 | Very low | 25.9 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 59% | 0.591 | 74% | 0.743 | S | S | * | * | cis | -122.6 | -147 | 0.5 | 35.7 | -12.3 | 0 | 0 | 0 | 110 | ||||
| 533 | E | 24.4 | Very low | 26 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | cis | -160 | 174.8 | 3.6 | -134.9 | 142.2 | -116.9 | 0 | 0 | 105.2 | ||||
| 534 | S | 28.5 | Very low | 25.9 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | cis | -166.9 | 148.7 | 14.3 | 56.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 535 | N | 24.6 | Very low | 26.1 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 60.1 | 137.2 | 140.5 | -69.3 | 55.9 | 0 | 0 | 0 | 120.7 | ||||
| 536 | D | 29.2 | Very low | 26.3 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | cis | -150.5 | 159.7 | 0.2 | -77.4 | -44.2 | 0 | 0 | 0 | 110.4 | ||||
| 537 | D | 23 | Very low | 26.4 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | 14.4 | 137.8 | 159.9 | -75.4 | -32.3 | 0 | 0 | 0 | 121.8 | ||||
| 538 | P | 29.7 | Very low | 26.6 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 84% | 0.844 | 74% | 0.742 | S | S | * | * | -140.4 | 158.2 | 52.1 | 39.8 | -23.4 | 0 | 0 | 0 | 117.5 | |||||
| 539 | S | 24.6 | Very low | 27 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | -143.6 | 126.5 | 169.9 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 540 | L | 25 | Very low | 27.7 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | 177.1 | 82.1 | 152.6 | -105.9 | 165.3 | 0 | 0 | 0 | 111.2 | ||||
| 541 | F | 28.2 | Very low | 29.2 | Very low | 199 Ų | 199 | 132.6 Ų | 132.6 | 87% | 0.873 | 73% | 0.731 | S | S | * | * | trans | -144.6 | 115.2 | 151.3 | -101.9 | -78.5 | 0 | 0 | 0 | 106.4 | E543 | F541-E543 PolarHBondContact O-N 3.24Š| ||
| 542 | D | 27.8 | Very low | 31.4 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | trans | -71.2 | 122.8 | -174.2 | -73.7 | -67.6 | 0 | 0 | 0 | 111.8 | N544 | D542-N544 PolarHBondContact O-N 3.31Š| ||
| 543 | E | 25.6 | Very low | 33.7 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -69.1 | 72.3 | 166.1 | -65.5 | -176.6 | 122.1 | 0 | 0 | 110.6 | F541 | F541-E543 PolarHBondContact O-N 3.24Š|
| 544 | N | 24.7 | Very low | 36.5 | Very low | 130 Ų | 130 | 120.4 Ų | 120.4 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | trans | -167.2 | 78.6 | 166.3 | -97.2 | -51.7 | 0 | 0 | 0 | 113 | D542 | D542-N544 PolarHBondContact O-N 3.31Š| ||
| 545 | Q | 28.7 | Very low | 39 | Very low | 146 Ų | 146 | 116.4 Ų | 116.4 | 68% | 0.682 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -160.8 | -11.4 | 157.3 | -126.8 | 160.4 | 96.1 | 0 | 0 | 117 | T547 | Q545-T547 PolarHBondContact O-N 3.48Š|
| 546 | F | 28.5 | Very low | 41.6 | Very low | 204 Ų | 204 | 113.1 Ų | 113.1 | 90% | 0.895 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -87.7 | 33.5 | 174.3 | -100.2 | -80.4 | 0 | 0 | 0 | 113.5 | ||
| 547 | T | 25.7 | Very low | 44.2 | Very low | 107 Ų | 107 | 107.5 Ų | 107.5 | 66% | 0.656 | 58% | 0.582 | S | S | * | * | trans | -132.1 | 34 | -167.5 | 42 | 0 | 0 | 0 | 0 | 114.4 | Q545 | Q545-T547 PolarHBondContact O-N 3.48Š| ||
| 548 | T | 29.3 | Very low | 47.1 | Very low | 101 Ų | 101 | 100.6 Ų | 100.6 | 62% | 0.62 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -132.3 | 91.2 | 169.3 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | N550 | T548-N550 PolarHBondContact O-N 3.34Å; T548-N550 PolarHBondContact O-ND2 3.49Å |
| 549 | S | 33 | Very low | 49.7 | Very low | 129 Ų | 129 | 94.7 Ų | 94.7 | 90% | 0.902 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 48.7 | 7 | 149.4 | 64.7 | 0 | 0 | 0 | 0 | 121.3 | ||
| 550 | N | 38.4 | Very low | 52.5 | Low | 139 Ų | 139 | 92.4 Ų | 92.4 | 74% | 0.743 | 49% | 0.493 | S | S | * | . | trans | -105.1 | 124.2 | -175 | -74.1 | -55.6 | 0 | 0 | 0 | 112.4 | T548 | T548-N550 PolarHBondContact O-N 3.34Å; T548-N550 PolarHBondContact O-ND2 3.49Å | ||
| 551 | S | 56 | Low | 55.3 | Low | 56 Ų | 56 | 86.5 Ų | 86.5 | 39% | 0.392 | 46% | 0.461 | S | S | . | . | trans | -64.4 | 124.6 | 178.7 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | K479 | K479-S551 WeakPolarHBondContact CD-OG 3.42Å; K479-S551 WeakPolarHBondContact CE-OG 3.43Å; K479-S551 WeakPolarHBondContact CG-OG 3.2Å; K479-S551 PolarHBondContact NZ-OG 2.78Å | ||
| 552 | I | 71.4 | Confident | 57.8 | Low | 78 Ų | 78 | 77.1 Ų | 77.1 | 40% | 0.4 | 42% | 0.419 | S | S | . | . | trans | -57 | 140.3 | 173.8 | -58.7 | 171.7 | 0 | 0 | 0 | 110.6 | L480 D556 | L480-I552 WeakPolarHBondContact CB-O 3.34Å; L480-I552 PolarHBondContact N-O 3.04Å; I552-D556 HydrophobicContact CG2-CB 4.06Å | ||
| 553 | T | 82 | Confident | 60.2 | Low | 27 Ų | 27 | 74.1 Ų | 74.1 | 17% | 0.166 | 40% | 0.401 | C | S | . | . | B | Isolated β-bridge | trans | -104.1 | 166.8 | 172.8 | 66.7 | 0 | 0 | 0 | 0 | 113 | M478 M555 D556 L557 | M478-T553 VanDerWaalsContact O-CA 3.24Å; M478-T553 WeakPolarHBondContact O-CA 3.41Å; M478-T553 VanDerWaalsContact O-CB 3.31Å; M478-T553 WeakPolarHBondContact O-CB 3.38Å; T553-M555 VanDerWaalsContact C-N 3.28Å; T553-M555 PolarHBondContact O-N 3.29Å; T553-M555 PolarHBondContact OG1-N 2.96Å; T553-D556 WeakPolarHBondContact CB-OD2 3.47Å; T553-D556 PolarHBondContact N-OD2 3.11Å; T553-D556 PolarHBondContact O-N 3.02Å; T553-D556 PolarHBondContact OG1-N 2.83Å; T553-D556 VanDerWaalsContact OG1-N 3.16Å; T553-D556 PolarHBondContact OG1-OD2 3.44Å; T553-L557 PolarHBondContact O-N 2.86Å |
| 554 | Y | 82.4 | Confident | 62.6 | Low | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.3 | -38.1 | 170.1 | -77.7 | -82.9 | 0 | 0 | 0 | 111.9 | G438 L441 T442 F475 L476 M478 L480 L557 I558 | G438-Y554 VanDerWaalsContact CA-OH 3.3Å; G438-Y554 WeakPolarHBondContact CA-OH 3.4Å; L441-Y554 HydrophobicContact CD1-CD1 4.4Å; T442-Y554 HydrophobicContact CG2-CE1 4.09Å; F475-Y554 HydrophobicContact CD2-CE2 4.42Å; F475-Y554 HydrophobicContact CE2-CD2 4.05Å; F475-Y554 HydrophobicContact CE2-CE1 4.3Å; F475-Y554 AromaticContact CE2-CE2 3.77Å; F475-Y554 HydrophobicContact CE2-CE2 3.77Å; F475-Y554 HydrophobicContact CE2-CG 4.46Å; F475-Y554 AromaticContact CE2-CZ 3.9Å; F475-Y554 HydrophobicContact CZ-CD1 4.23Å; F475-Y554 HydrophobicContact CZ-CD2 4.42Å; F475-Y554 HydrophobicContact CZ-CE1 4.16Å; F475-Y554 HydrophobicContact CZ-CE2 4.36Å; F475-Y554 HydrophobicContact CZ-CG 4.37Å; L476-Y554 WeakPolarHBondContact O-CB 3.39Å; M478-Y554 HydrophobicContact CE-CE2 4.06Å; M478-Y554 PolarHBondContact O-N 3.19Å; L480-Y554 HydrophobicContact CD1-CD1 3.64Å; L480-Y554 HydrophobicContact CD1-CD2 4.13Å; L480-Y554 HydrophobicContact CD1-CE1 3.38Å; L480-Y554 HydrophobicContact CD1-CE2 3.9Å; L480-Y554 HydrophobicContact CD1-CG 4Å; Y554-L557 PolarHBondContact O-N 3.34Å; Y554-I558 VanDerWaalsContact O-CG1 3.28Å; Y554-I558 WeakPolarHBondContact O-CG1 3.49Å; Y554-I558 PolarHBondContact O-N 3.25Å |
| 555 | M | 81.3 | Confident | 64.9 | Low | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | 173.4 | -75.8 | -54.5 | -77.6 | 0 | 0 | 113 | L476 L477 T553 L557 I558 I559 M577 L592 | L476-M555 HydrophobicContact CB-CG 4.05Å; L476-M555 HydrophobicContact CB-SD 3.87Å; L476-M555 HydrophobicContact CD1-SD 4.29Å; L476-M555 HydrophobicContact CG-SD 4.47Å; L476-M555 WeakPolarHBondContact O-CG 3.35Å; L476-M555 PolarHBondContact O-N 3.26Å; L477-M555 HydrophobicContact CD2-CG 4.18Å; T553-M555 VanDerWaalsContact C-N 3.28Å; T553-M555 PolarHBondContact O-N 3.29Å; T553-M555 PolarHBondContact OG1-N 2.96Å; M555-L557 VanDerWaalsContact C-N 3.29Å; M555-L557 PolarHBondContact O-N 2.93Å; M555-I558 PolarHBondContact O-N 3.29Å; M555-I558 VanDerWaalsContact O-N 3.16Å; M555-I558 HydrophobicContact SD-CD1 4.3Å; M555-I559 WeakPolarHBondContact O-CD1 3.4Å; M555-I559 WeakPolarHBondContact O-CG1 3.37Å; M555-I559 PolarHBondContact O-N 3.04Å; M555-M577 HydrophobicContact CE-CE 3.53Å; M555-M577 HydrophobicContact CE-SD 4.12Å; M555-M577 HydrophobicContact SD-CE 4.47Å; M555-L592 HydrophobicContact CE-CD1 4.06Å; M555-L592 HydrophobicContact CE-CD2 3.82Å; M555-L592 HydrophobicContact CE-CG 4.34Å |
| 556 | D | 80 | Confident | 67.1 | Low | 62 Ų | 62 | 59.4 Ų | 59.4 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 177.4 | -61.2 | -55.5 | 0 | 0 | 0 | 111.6 | I552 T553 I559 A560 | I552-D556 HydrophobicContact CG2-CB 4.06Å; T553-D556 WeakPolarHBondContact CB-OD2 3.47Å; T553-D556 PolarHBondContact N-OD2 3.11Å; T553-D556 PolarHBondContact O-N 3.02Å; T553-D556 PolarHBondContact OG1-N 2.83Å; T553-D556 VanDerWaalsContact OG1-N 3.16Å; T553-D556 PolarHBondContact OG1-OD2 3.44Å; D556-I559 PolarHBondContact O-N 3.2Å; D556-A560 WeakPolarHBondContact O-CB 3.49Å; D556-A560 PolarHBondContact O-N 3.16Å |
| 557 | L | 82.5 | Confident | 69.7 | Low | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.5 | -36.2 | 175.3 | 171.1 | 156.1 | 0 | 0 | 0 | 112.5 | T442 L480 F486 T553 Y554 M555 R561 | T442-L557 HydrophobicContact CG2-CD1 4.04Å; L480-L557 HydrophobicContact CD1-CD1 4.09Å; L480-L557 HydrophobicContact CD2-CD1 4.02Å; F486-L557 HydrophobicContact CE1-CD1 4.45Å; F486-L557 HydrophobicContact CE2-CD1 4.34Å; F486-L557 HydrophobicContact CZ-CD1 3.65Å; T553-L557 PolarHBondContact O-N 2.86Å; Y554-L557 PolarHBondContact O-N 3.34Å; M555-L557 VanDerWaalsContact C-N 3.29Å; M555-L557 PolarHBondContact O-N 2.93Å; L557-R561 VanDerWaalsContact CD2-NH1 3.34Å; L557-R561 WeakPolarHBondContact O-CG 3.29Å; L557-R561 PolarHBondContact O-N 3.36Å |
| 558 | I | 85.2 | Confident | 72.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.4 | -40.4 | 174.4 | -61.8 | 164.2 | 0 | 0 | 0 | 110.3 | L476 Y554 M555 A560 R561 T573 L576 M577 | L476-I558 HydrophobicContact CD2-CD1 3.82Å; Y554-I558 VanDerWaalsContact O-CG1 3.28Å; Y554-I558 WeakPolarHBondContact O-CG1 3.49Å; Y554-I558 PolarHBondContact O-N 3.25Å; M555-I558 PolarHBondContact O-N 3.29Å; M555-I558 VanDerWaalsContact O-N 3.16Å; M555-I558 HydrophobicContact SD-CD1 4.3Å; I558-A560 VanDerWaalsContact C-N 3.35Å; I558-A560 PolarHBondContact O-N 2.96Å; I558-R561 WeakPolarHBondContact O-CB 3.5Å; I558-R561 PolarHBondContact O-N 3.21Å; I558-T573 HydrophobicContact CG2-CG2 3.8Å; I558-T573 WeakPolarHBondContact O-CG2 3.42Å; I558-L576 HydrophobicContact CD1-CD2 4.49Å; I558-L576 HydrophobicContact CG2-CD2 4.15Å; I558-M577 HydrophobicContact CB-CE 4.07Å; I558-M577 HydrophobicContact CG2-CE 3.51Å; I558-M577 HydrophobicContact CG2-CG 4.47Å |
| 559 | I | 83.3 | Confident | 75.2 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 175.5 | -66.5 | 161 | 0 | 0 | 0 | 110.9 | M555 D556 R561 I562 M577 L592 P1440 F1441 | M555-I559 WeakPolarHBondContact O-CD1 3.4Å; M555-I559 WeakPolarHBondContact O-CG1 3.37Å; M555-I559 PolarHBondContact O-N 3.04Å; D556-I559 PolarHBondContact O-N 3.2Å; I559-R561 PolarHBondContact O-N 3.13Å; I559-I562 VanDerWaalsContact O-CB 3.31Å; I559-I562 WeakPolarHBondContact O-CB 3.39Å; I559-I562 WeakPolarHBondContact O-CG1 3.32Å; I559-I562 PolarHBondContact O-N 3.49Å; I559-M577 HydrophobicContact CG1-CE 3.71Å; I559-L592 HydrophobicContact CD1-CD2 3.82Å; I559-P1440 HydrophobicContact CD1-CG 4.44Å; I559-P1440 HydrophobicContact CG2-CB 4.16Å; I559-F1441 HydrophobicContact CD1-CB 4.08Å; I559-F1441 HydrophobicContact CG1-CB 4.36Å; I559-F1441 HydrophobicContact CG1-CD2 4.2Å |
| 560 | A | 83 | Confident | 77.7 | Confident | 53 Ų | 53 | 35.3 Ų | 35.3 | 44% | 0.438 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.8 | -31.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D556 I558 I562 H563 | D556-A560 WeakPolarHBondContact O-CB 3.49Å; D556-A560 PolarHBondContact O-N 3.16Å; I558-A560 VanDerWaalsContact C-N 3.35Å; I558-A560 PolarHBondContact O-N 2.96Å; A560-I562 VanDerWaalsContact C-N 3.31Å; A560-I562 PolarHBondContact O-N 2.97Å; A560-H563 WeakPolarHBondContact O-CB 3.49Å; A560-H563 PolarHBondContact O-CD2 3.37Å; A560-H563 VanDerWaalsContact O-CD2 3.26Å; A560-H563 PolarHBondContact O-N 3.47Å |
| 561 | R | 84.1 | Confident | 79.9 | Confident | 28 Ų | 28 | 28.7 Ų | 28.7 | 11% | 0.106 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.1 | -21.8 | 177.5 | -72.6 | 167.3 | 174.5 | 169.6 | 1.2 | 113.8 | L441 V449 L557 I558 I559 H563 Q564 L569 T573 | L441-R561 VanDerWaalsContact O-CZ 3.23Å; L441-R561 PolarHBondContact O-NH1 3.46Å; L441-R561 PolarHBondContact O-NH2 3.39Å; V449-R561 VanDerWaalsContact CG1-CZ 3.42Å; V449-R561 VanDerWaalsContact CG1-NH1 3.26Å; L557-R561 VanDerWaalsContact CD2-NH1 3.34Å; L557-R561 WeakPolarHBondContact O-CG 3.29Å; L557-R561 PolarHBondContact O-N 3.36Å; I558-R561 WeakPolarHBondContact O-CB 3.5Å; I558-R561 PolarHBondContact O-N 3.21Å; I559-R561 PolarHBondContact O-N 3.13Å; R561-H563 PolarHBondContact O-N 3.09Å; R561-Q564 WeakPolarHBondContact O-CB 3.22Å; R561-Q564 PolarHBondContact O-N 3.16Å; R561-L569 HydrophobicContact CG-CD2 4.34Å; R561-T573 HydrophobicContact CB-CG2 3.9Å |
| 562 | I | 81.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -61.5 | -25.3 | 173.8 | -54.2 | 171.3 | 0 | 0 | 0 | 111 | I559 A560 Q564 C565 T573 M574 M577 F1441 T1444 L1445 | I559-I562 VanDerWaalsContact O-CB 3.31Å; I559-I562 WeakPolarHBondContact O-CB 3.39Å; I559-I562 WeakPolarHBondContact O-CG1 3.32Å; I559-I562 PolarHBondContact O-N 3.49Å; A560-I562 VanDerWaalsContact C-N 3.31Å; A560-I562 PolarHBondContact O-N 2.97Å; I562-Q564 PolarHBondContact O-N 3.16Å; I562-C565 PolarHBondContact O-N 2.8Å; I562-T573 HydrophobicContact CG1-CG2 3.67Å; I562-M574 HydrophobicContact CG2-CG 4.08Å; I562-M574 HydrophobicContact CG2-SD 4.31Å; I562-M577 HydrophobicContact CD1-CE 4.43Å; I562-M577 HydrophobicContact CD1-CG 4.07Å; I562-M577 HydrophobicContact CD1-SD 4.5Å; I562-F1441 HydrophobicContact CD1-CD2 4.03Å; I562-F1441 HydrophobicContact CD1-CE2 3.95Å; I562-T1444 HydrophobicContact CB-CG2 3.82Å; I562-T1444 HydrophobicContact CG2-CG2 3.86Å; I562-L1445 HydrophobicContact CG2-CD2 4.46Å |
| 563 | H | 77.6 | Confident | 82.1 | Confident | 80 Ų | 80 | 22.3 Ų | 22.3 | 37% | 0.37 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -59.9 | -25.5 | 171.9 | -67.5 | -61.9 | 0 | 0 | 0 | 113 | A560 R561 C565 T1444 R1448 | A560-H563 WeakPolarHBondContact O-CB 3.49Å; A560-H563 PolarHBondContact O-CD2 3.37Å; A560-H563 VanDerWaalsContact O-CD2 3.26Å; A560-H563 PolarHBondContact O-N 3.47Å; R561-H563 PolarHBondContact O-N 3.09Å; H563-C565 VanDerWaalsContact C-N 3.27Å; H563-C565 PolarHBondContact O-N 3.33Å; H563-T1444 PolarHBondContact CE1-OG1 3.25Å; H563-T1444 PolarHBondContact NE2-OG1 2.85Å; H563-R1448 PolarHBondContact O-NE 2.96Å; H563-R1448 PolarHBondContact O-NH2 3.37Å |
| 564 | Q | 76.7 | Confident | 82.2 | Confident | 71 Ų | 71 | 21.1 Ų | 21.1 | 33% | 0.332 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -88 | 29.7 | 179 | -55.4 | -171.1 | 9.2 | 0 | 0 | 113.6 | R561 I562 N566 S567 G570 | R561-Q564 WeakPolarHBondContact O-CB 3.22Å; R561-Q564 PolarHBondContact O-N 3.16Å; I562-Q564 PolarHBondContact O-N 3.16Å; Q564-N566 PolarHBondContact O-N 3.33Å; Q564-S567 PolarHBondContact O-N 2.9Å; Q564-S567 PolarHBondContact O-OG 3.03Å; Q564-S567 VanDerWaalsContact O-OG 3.07Å; Q564-G570 WeakPolarHBondContact O-CA 3.43Å |
| 565 | C | 71.7 | Confident | 82.4 | Confident | 5 Ų | 5 | 21.4 Ų | 21.4 | 3% | 0.034 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -11.4 | -175.8 | 65.9 | 0 | 0 | 0 | 0 | 117.5 | I562 H563 M574 R1448 C1456 A1459 | I562-C565 PolarHBondContact O-N 2.8Å; H563-C565 VanDerWaalsContact C-N 3.27Å; H563-C565 PolarHBondContact O-N 3.33Å; C565-M574 HydrophobicContact CB-SD 4.12Å; C565-R1448 VanDerWaalsContact SG-CD 3.54Å; C565-C1456 PolarHBondContact O-SG 3.29Å; C565-A1459 HydrophobicContact CB-CB 3.98Å; C565-A1459 WeakPolarHBondContact O-CB 3.34Å |
| 566 | N | 74.6 | Confident | 82.7 | Confident | 79 Ų | 79 | 21.1 Ų | 21.1 | 42% | 0.422 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -3.9 | 175.2 | -72.4 | -5.2 | 0 | 0 | 0 | 114 | Q564 N1454 N1455 C1456 | Q564-N566 PolarHBondContact O-N 3.33Å; N566-N1454 PolarHBondContact ND2-O 2.91Å; N566-N1455 VanDerWaalsContact OD1-CA 3.25Å; N566-N1455 WeakPolarHBondContact OD1-CA 3.45Å; N566-C1456 PolarHBondContact OD1-N 3.2Å |
| 567 | S | 84.1 | Confident | 83 | Confident | 26 Ų | 26 | 18.2 Ų | 18.2 | 18% | 0.182 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -97.8 | 163 | 167.4 | 78.2 | 0 | 0 | 0 | 0 | 110.9 | Q564 L569 G570 I571 | Q564-S567 PolarHBondContact O-N 2.9Å; Q564-S567 PolarHBondContact O-OG 3.03Å; Q564-S567 VanDerWaalsContact O-OG 3.07Å; S567-L569 VanDerWaalsContact C-N 3.25Å; S567-L569 PolarHBondContact O-N 3.12Å; S567-L569 PolarHBondContact OG-N 2.92Å; S567-G570 PolarHBondContact O-N 3.1Å; S567-G570 PolarHBondContact OG-N 3.36Å; S567-I571 PolarHBondContact O-N 3.23Å |
| 568 | L | 85 | Confident | 83.1 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.9 | -38.7 | 172.1 | -172.7 | 61.9 | 0 | 0 | 0 | 111.8 | V374 N377 W382 L385 I450 G570 I571 T572 | V374-L568 HydrophobicContact CB-CD2 4.24Å; V374-L568 HydrophobicContact CG1-CD2 3.66Å; V374-L568 HydrophobicContact CG2-CD2 4.22Å; N377-L568 WeakPolarHBondContact O-CB 3.26Å; N377-L568 PolarHBondContact O-N 2.81Å; W382-L568 HydrophobicContact CB-CD1 3.77Å; W382-L568 HydrophobicContact CD2-CD1 4.5Å; W382-L568 HydrophobicContact CE3-CD1 3.84Å; L385-L568 HydrophobicContact CD1-CD2 4.16Å; I450-L568 HydrophobicContact CD1-CB 3.89Å; I450-L568 HydrophobicContact CD1-CD2 4.1Å; I450-L568 HydrophobicContact CD1-CG 4.03Å; I450-L568 HydrophobicContact CG2-CD2 4.1Å; I450-L568 HydrophobicContact CG2-CG 4.2Å; L568-G570 VanDerWaalsContact C-N 3.31Å; L568-G570 PolarHBondContact O-N 3.49Å; L568-I571 PolarHBondContact O-N 2.83Å; L568-I571 VanDerWaalsContact O-N 3.13Å; L568-T572 PolarHBondContact O-N 2.89Å; L568-T572 PolarHBondContact O-OG1 3.08Å |
| 569 | L | 85.6 | Confident | 83.1 | Confident | 8 Ų | 8 | 19.5 Ų | 19.5 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 175.6 | 178.9 | 58.9 | 0 | 0 | 0 | 112.2 | P446 V449 I450 R561 S567 T573 | P446-L569 HydrophobicContact CB-CD2 4.32Å; V449-L569 HydrophobicContact CB-CD1 4.49Å; V449-L569 HydrophobicContact CG1-CD1 3.69Å; V449-L569 HydrophobicContact CG1-CD2 4.49Å; I450-L569 HydrophobicContact CD1-CB 4.01Å; I450-L569 HydrophobicContact CG1-CB 3.77Å; I450-L569 HydrophobicContact CG1-CD1 3.99Å; I450-L569 HydrophobicContact CG1-CG 4.48Å; R561-L569 HydrophobicContact CG-CD2 4.34Å; S567-L569 VanDerWaalsContact C-N 3.25Å; S567-L569 PolarHBondContact O-N 3.12Å; S567-L569 PolarHBondContact OG-N 2.92Å; L569-T573 WeakPolarHBondContact O-CB 3.43Å; L569-T573 PolarHBondContact O-N 3.01Å; L569-T573 PolarHBondContact O-OG1 3.21Å |
| 570 | G | 84.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q564 S567 L568 T573 M574 | Q564-G570 WeakPolarHBondContact O-CA 3.43Å; S567-G570 PolarHBondContact O-N 3.1Å; S567-G570 PolarHBondContact OG-N 3.36Å; L568-G570 VanDerWaalsContact C-N 3.31Å; L568-G570 PolarHBondContact O-N 3.49Å; G570-T573 PolarHBondContact O-N 2.89Å; G570-M574 WeakPolarHBondContact O-CB 3.47Å; G570-M574 VanDerWaalsContact O-CG 3.24Å; G570-M574 WeakPolarHBondContact O-CG 3.48Å; G570-M574 PolarHBondContact O-N 2.89Å |
| 571 | I | 85.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.1 | -49.5 | 178.4 | -62.1 | 162.6 | 0 | 0 | 0 | 111.1 | P379 W382 S567 L568 T573 M574 S575 Y1458 Y1462 | P379-I571 HydrophobicContact CB-CD1 3.38Å; W382-I571 HydrophobicContact CB-CG2 4.28Å; W382-I571 HydrophobicContact CD2-CG2 3.59Å; W382-I571 HydrophobicContact CE3-CG2 4.07Å; W382-I571 HydrophobicContact CG-CG2 3.66Å; S567-I571 PolarHBondContact O-N 3.23Å; L568-I571 PolarHBondContact O-N 2.83Å; L568-I571 VanDerWaalsContact O-N 3.13Å; I571-T573 VanDerWaalsContact C-N 3.31Å; I571-T573 PolarHBondContact O-N 3.18Å; I571-M574 CarbonylContact O-C 3.43Å; I571-M574 WeakPolarHBondContact O-CA 3.32Å; I571-M574 PolarHBondContact O-N 3.03Å; I571-S575 PolarHBondContact O-N 3.15Å; I571-Y1458 HydrophobicContact CD1-CD2 4.12Å; I571-Y1458 HydrophobicContact CD1-CG 4.36Å; I571-Y1462 HydrophobicContact CG2-CD2 4.03Å; I571-Y1462 HydrophobicContact CG2-CE2 3.78Å |
| 572 | T | 85.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 177.3 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | W382 T453 V454 L568 M574 S575 L576 | W382-T572 HydrophobicContact CH2-CG2 4.49Å; W382-T572 HydrophobicContact CZ3-CG2 4.08Å; W382-T572 VanDerWaalsContact CZ3-OG1 3.25Å; W382-T572 WeakPolarHBondContact CZ3-OG1 3.23Å; T453-T572 VanDerWaalsContact OG1-CG2 3.32Å; T453-T572 WeakPolarHBondContact OG1-CG2 3.18Å; V454-T572 HydrophobicContact CG2-CG2 3.65Å; L568-T572 PolarHBondContact O-N 2.89Å; L568-T572 PolarHBondContact O-OG1 3.08Å; T572-M574 VanDerWaalsContact C-N 3.27Å; T572-M574 PolarHBondContact O-N 2.95Å; T572-S575 PolarHBondContact O-N 3.33Å; T572-L576 WeakPolarHBondContact O-CB 3.45Å; T572-L576 PolarHBondContact O-N 3.28Å |
| 573 | T | 87.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.4 | -38.1 | 175.2 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | I558 R561 I562 L569 G570 I571 M577 | I558-T573 HydrophobicContact CG2-CG2 3.8Å; I558-T573 WeakPolarHBondContact O-CG2 3.42Å; R561-T573 HydrophobicContact CB-CG2 3.9Å; I562-T573 HydrophobicContact CG1-CG2 3.67Å; L569-T573 WeakPolarHBondContact O-CB 3.43Å; L569-T573 PolarHBondContact O-N 3.01Å; L569-T573 PolarHBondContact O-OG1 3.21Å; G570-T573 PolarHBondContact O-N 2.89Å; I571-T573 VanDerWaalsContact C-N 3.31Å; I571-T573 PolarHBondContact O-N 3.18Å; T573-M577 WeakPolarHBondContact O-CB 3.15Å; T573-M577 VanDerWaalsContact O-CG 3.3Å; T573-M577 WeakPolarHBondContact O-CG 3.31Å; T573-M577 PolarHBondContact O-N 3.19Å |
| 574 | M | 85.2 | Confident | 82.5 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -75.3 | -30.8 | 177.7 | -69.9 | 175.3 | 72.6 | 0 | 0 | 113.3 | I562 C565 G570 I571 T572 N578 A1459 Y1462 L1463 L1466 | I562-M574 HydrophobicContact CG2-CG 4.08Å; I562-M574 HydrophobicContact CG2-SD 4.31Å; C565-M574 HydrophobicContact CB-SD 4.12Å; G570-M574 WeakPolarHBondContact O-CB 3.47Å; G570-M574 VanDerWaalsContact O-CG 3.24Å; G570-M574 WeakPolarHBondContact O-CG 3.48Å; G570-M574 PolarHBondContact O-N 2.89Å; I571-M574 CarbonylContact O-C 3.43Å; I571-M574 WeakPolarHBondContact O-CA 3.32Å; I571-M574 PolarHBondContact O-N 3.03Å; T572-M574 VanDerWaalsContact C-N 3.27Å; T572-M574 PolarHBondContact O-N 2.95Å; M574-N578 WeakPolarHBondContact O-CB 3.44Å; M574-N578 PolarHBondContact O-N 2.87Å; M574-A1459 WeakPolarHBondContact CE-O 3.37Å; M574-A1459 HydrophobicContact SD-CB 4.1Å; M574-Y1462 HydrophobicContact CB-CG 4.29Å; M574-L1463 HydrophobicContact CE-CB 3.77Å; M574-L1463 HydrophobicContact CE-CD1 4.41Å; M574-L1466 HydrophobicContact CB-CD1 4.35Å; M574-L1466 HydrophobicContact CE-CD1 4.08Å |
| 575 | S | 86.2 | Confident | 82.2 | Confident | 10 Ų | 10 | 19.4 Ų | 19.4 | 7% | 0.07 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.6 | -51.2 | 170.2 | -160.9 | 0 | 0 | 0 | 0 | 110.6 | E457 I571 T572 M577 N578 T579 Y1462 | E457-S575 VanDerWaalsContact OE1-CB 3.27Å; E457-S575 WeakPolarHBondContact OE1-CB 3.45Å; E457-S575 VanDerWaalsContact OE1-O 3.12Å; E457-S575 PolarHBondContact OE1-OG 2.78Å; E457-S575 PolarHBondContact OE2-OG 2.8Å; I571-S575 PolarHBondContact O-N 3.15Å; T572-S575 PolarHBondContact O-N 3.33Å; S575-M577 VanDerWaalsContact C-N 3.33Å; S575-M577 PolarHBondContact O-N 2.7Å; S575-N578 WeakPolarHBondContact O-CA 3.33Å; S575-N578 WeakPolarHBondContact O-CB 3.45Å; S575-N578 PolarHBondContact O-N 3.08Å; S575-T579 PolarHBondContact O-N 3.11Å; S575-T579 PolarHBondContact O-OG1 2.88Å; S575-Y1462 VanDerWaalsContact CA-CE1 3.49Å; S575-Y1462 WeakPolarHBondContact CB-OH 3.35Å; S575-Y1462 WeakPolarHBondContact OG-CE1 3.26Å; S575-Y1462 PolarHBondContact OG-OH 3.1Å |
| 576 | L | 88.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -52.6 | -47.3 | 173.4 | 175.6 | 66.6 | 0 | 0 | 0 | 112.2 | T453 L456 E457 I460 I558 T572 N578 T579 I580 | T453-L576 HydrophobicContact CG2-CD2 4.4Å; L456-L576 HydrophobicContact CD2-CD1 4.01Å; L456-L576 HydrophobicContact CD2-CD2 3.81Å; L456-L576 HydrophobicContact CG-CD1 3.95Å; E457-L576 HydrophobicContact CB-CD1 4.03Å; E457-L576 PolarHBondContact OE1-N 3.31Å; I460-L576 HydrophobicContact CD1-CD1 3.65Å; I558-L576 HydrophobicContact CD1-CD2 4.49Å; I558-L576 HydrophobicContact CG2-CD2 4.15Å; T572-L576 WeakPolarHBondContact O-CB 3.45Å; T572-L576 PolarHBondContact O-N 3.28Å; L576-N578 VanDerWaalsContact C-N 3.34Å; L576-N578 PolarHBondContact O-N 3.39Å; L576-T579 PolarHBondContact O-N 3.37Å; L576-I580 HydrophobicContact CD1-CD1 4.05Å; L576-I580 HydrophobicContact CD1-CG1 4.49Å; L576-I580 HydrophobicContact CG-CD1 3.94Å; L576-I580 WeakPolarHBondContact O-CB 3.49Å; L576-I580 VanDerWaalsContact O-CG1 3.26Å; L576-I580 WeakPolarHBondContact O-CG1 3.14Å; L576-I580 PolarHBondContact O-N 3.06Å |
| 577 | M | 86.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.1 | -33.9 | 176.6 | -81.1 | -79.8 | 175.3 | 0 | 0 | 113.3 | M555 I558 I559 I562 T573 S575 I581 F1441 L1466 | M555-M577 HydrophobicContact CE-CE 3.53Å; M555-M577 HydrophobicContact CE-SD 4.12Å; M555-M577 HydrophobicContact SD-CE 4.47Å; I558-M577 HydrophobicContact CB-CE 4.07Å; I558-M577 HydrophobicContact CG2-CE 3.51Å; I558-M577 HydrophobicContact CG2-CG 4.47Å; I559-M577 HydrophobicContact CG1-CE 3.71Å; I562-M577 HydrophobicContact CD1-CE 4.43Å; I562-M577 HydrophobicContact CD1-CG 4.07Å; I562-M577 HydrophobicContact CD1-SD 4.5Å; T573-M577 WeakPolarHBondContact O-CB 3.15Å; T573-M577 VanDerWaalsContact O-CG 3.3Å; T573-M577 WeakPolarHBondContact O-CG 3.31Å; T573-M577 PolarHBondContact O-N 3.19Å; S575-M577 VanDerWaalsContact C-N 3.33Å; S575-M577 PolarHBondContact O-N 2.7Å; M577-I581 WeakPolarHBondContact O-CG1 3.29Å; M577-I581 PolarHBondContact O-N 3.43Å; M577-I581 VanDerWaalsContact O-N 3.08Å; M577-F1441 HydrophobicContact CG-CE2 4.46Å; M577-F1441 HydrophobicContact SD-CD2 4.26Å; M577-F1441 HydrophobicContact SD-CE2 3.73Å; M577-F1441 HydrophobicContact SD-CZ 4.45Å; M577-L1466 HydrophobicContact CB-CD2 4.25Å |
| 578 | N | 84.9 | Confident | 82.1 | Confident | 15 Ų | 15 | 26.5 Ų | 26.5 | 8% | 0.08 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67 | -49.9 | 174.8 | -172.4 | 96.3 | 0 | 0 | 0 | 110.3 | M574 S575 L576 I580 I581 D582 Y1462 N1465 L1466 | M574-N578 WeakPolarHBondContact O-CB 3.44Å; M574-N578 PolarHBondContact O-N 2.87Å; S575-N578 WeakPolarHBondContact O-CA 3.33Å; S575-N578 WeakPolarHBondContact O-CB 3.45Å; S575-N578 PolarHBondContact O-N 3.08Å; L576-N578 VanDerWaalsContact C-N 3.34Å; L576-N578 PolarHBondContact O-N 3.39Å; N578-I580 VanDerWaalsContact C-N 3.3Å; N578-I580 PolarHBondContact O-N 3.13Å; N578-I581 PolarHBondContact O-N 3.45Å; N578-I581 VanDerWaalsContact O-N 3.09Å; N578-D582 PolarHBondContact ND2-OD2 3.01Å; N578-D582 PolarHBondContact O-N 3.36Å; N578-Y1462 HydrophobicContact CB-CD1 4.3Å; N578-N1465 PolarHBondContact OD1-ND2 3.32Å; N578-L1466 HydrophobicContact CB-CD2 4.01Å; N578-L1466 HydrophobicContact CB-CG 4.29Å |
| 579 | T | 83.9 | Confident | 81.7 | Confident | 25 Ų | 25 | 26.9 Ų | 26.9 | 15% | 0.153 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.3 | -43.4 | 175.1 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | E457 I460 I461 S575 L576 I581 D582 L583 | E457-T579 HydrophobicContact CG-CG2 4.22Å; E457-T579 PolarHBondContact OE1-OG1 3.38Å; I460-T579 HydrophobicContact CB-CG2 4.49Å; I460-T579 HydrophobicContact CG2-CG2 3.9Å; I461-T579 HydrophobicContact CD1-CG2 4.25Å; I461-T579 HydrophobicContact CG1-CG2 3.78Å; S575-T579 PolarHBondContact O-N 3.11Å; S575-T579 PolarHBondContact O-OG1 2.88Å; L576-T579 PolarHBondContact O-N 3.37Å; T579-I581 PolarHBondContact O-N 2.95Å; T579-D582 PolarHBondContact O-N 3.3Å; T579-L583 WeakPolarHBondContact O-CG 3.42Å; T579-L583 PolarHBondContact O-N 3.33Å |
| 580 | I | 84.6 | Confident | 81.2 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 175.1 | -74.5 | 167.5 | 0 | 0 | 0 | 112.9 | I460 L476 L576 N578 L583 I588 | I460-I580 HydrophobicContact CD1-CD1 4.17Å; I460-I580 HydrophobicContact CD1-CG1 3.83Å; L476-I580 HydrophobicContact CD1-CD1 4.13Å; L576-I580 HydrophobicContact CD1-CD1 4.05Å; L576-I580 HydrophobicContact CD1-CG1 4.49Å; L576-I580 HydrophobicContact CG-CD1 3.94Å; L576-I580 WeakPolarHBondContact O-CB 3.49Å; L576-I580 VanDerWaalsContact O-CG1 3.26Å; L576-I580 WeakPolarHBondContact O-CG1 3.14Å; L576-I580 PolarHBondContact O-N 3.06Å; N578-I580 VanDerWaalsContact C-N 3.3Å; N578-I580 PolarHBondContact O-N 3.13Å; I580-L583 WeakPolarHBondContact O-CB 3.48Å; I580-I588 HydrophobicContact CG2-CD1 4.01Å; I580-I588 HydrophobicContact CG2-CG2 3.84Å |
| 581 | I | 81.9 | Confident | 80.8 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -77.6 | -30.9 | -179.7 | -76.9 | 171.3 | 0 | 0 | 0 | 112.2 | M577 N578 T579 L583 H584 F1441 L1466 L1470 Y1473 | M577-I581 WeakPolarHBondContact O-CG1 3.29Å; M577-I581 PolarHBondContact O-N 3.43Å; M577-I581 VanDerWaalsContact O-N 3.08Å; N578-I581 PolarHBondContact O-N 3.45Å; N578-I581 VanDerWaalsContact O-N 3.09Å; T579-I581 PolarHBondContact O-N 2.95Å; I581-L583 PolarHBondContact O-N 3.39Å; I581-H584 PolarHBondContact O-N 2.96Å; I581-H584 PolarHBondContact O-ND1 3.01Å; I581-F1441 HydrophobicContact CD1-CE1 3.7Å; I581-F1441 HydrophobicContact CD1-CZ 3.43Å; I581-F1441 VanDerWaalsContact CD1-CZ 3.43Å; I581-L1466 HydrophobicContact CD1-CD2 3.9Å; I581-L1470 HydrophobicContact CD1-CD2 4.2Å; I581-L1470 HydrophobicContact CD1-CG 4.44Å; I581-Y1473 HydrophobicContact CG2-CE2 4.06Å; I581-Y1473 PolarHBondContact O-OH 2.87Å |
| 582 | D | 80.6 | Confident | 80.4 | Confident | 56 Ų | 56 | 33.5 Ų | 33.5 | 30% | 0.299 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -76.5 | -7 | 176.7 | -67.6 | -18.5 | 0 | 0 | 0 | 112.4 | N578 T579 H584 S1469 | N578-D582 PolarHBondContact ND2-OD2 3.01Å; N578-D582 PolarHBondContact O-N 3.36Å; T579-D582 PolarHBondContact O-N 3.3Å; D582-H584 VanDerWaalsContact C-N 3.26Å; D582-H584 PolarHBondContact O-N 3.21Å; D582-S1469 WeakPolarHBondContact OD1-CB 3.48Å; D582-S1469 PolarHBondContact OD1-OG 3.28Å |
| 583 | L | 77.1 | Confident | 79.9 | Confident | 34 Ų | 34 | 33.5 Ų | 33.5 | 18% | 0.178 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -20.6 | 165.4 | -64.6 | 175.5 | 0 | 0 | 0 | 113.9 | I460 V464 L469 L473 T579 I580 I581 C585 I588 | I460-L583 HydrophobicContact CG2-CD1 3.91Å; I460-L583 HydrophobicContact CG2-CD2 4.03Å; I460-L583 HydrophobicContact CG2-CG 4.28Å; V464-L583 HydrophobicContact CG2-CD2 3.78Å; L469-L583 HydrophobicContact CD1-CD1 4.09Å; L469-L583 HydrophobicContact CD2-CD2 4.42Å; L473-L583 HydrophobicContact CD2-CD1 4.27Å; T579-L583 WeakPolarHBondContact O-CG 3.42Å; T579-L583 PolarHBondContact O-N 3.33Å; I580-L583 WeakPolarHBondContact O-CB 3.48Å; I581-L583 PolarHBondContact O-N 3.39Å; L583-C585 PolarHBondContact O-N 3.11Å; L583-I588 HydrophobicContact CD1-CD1 4.32Å |
| 584 | H | 72.7 | Confident | 79.2 | Confident | 111 Ų | 111 | 35.9 Ų | 35.9 | 51% | 0.514 | 18% | 0.183 | S | C | . | . | trans | 58.6 | 21 | -177.3 | -55.9 | -33.6 | 0 | 0 | 0 | 116.9 | I581 D582 E586 Y1473 | I581-H584 PolarHBondContact O-N 2.96Å; I581-H584 PolarHBondContact O-ND1 3.01Å; D582-H584 VanDerWaalsContact C-N 3.26Å; D582-H584 PolarHBondContact O-N 3.21Å; H584-E586 PolarHBondContact O-N 3.02Å; H584-Y1473 WeakPolarHBondContact CA-OH 3.37Å; H584-Y1473 AromaticContact ND1-CZ 3.57Å; H584-Y1473 PolarHBondContact ND1-OH 3.16Å | ||
| 585 | C | 71.9 | Confident | 78.8 | Confident | 31 Ų | 31 | 41 Ų | 41 | 21% | 0.209 | 21% | 0.205 | C | C | . | . | trans | -67.1 | 124 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | L473 L583 D587 I588 M589 | L473-C585 HydrophobicContact CD1-CB 4.34Å; L583-C585 PolarHBondContact O-N 3.11Å; C585-D587 PolarHBondContact O-N 3.25Å; C585-I588 HydrophobicContact CB-CB 4.35Å; C585-I588 HydrophobicContact CB-CD1 3.59Å; C585-I588 HydrophobicContact CB-CG1 3.71Å; C585-I588 PolarHBondContact O-N 3.18Å; C585-M589 PolarHBondContact O-N 2.83Å; C585-M589 VanDerWaalsContact O-N 3.09Å | ||
| 586 | E | 75.9 | Confident | 77.9 | Confident | 167 Ų | 167 | 42.4 Ų | 42.4 | 78% | 0.78 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -61.7 | -40.4 | -177 | -62.1 | -167.7 | 162.7 | 0 | 0 | 112.8 | H584 I588 M589 F590 | H584-E586 PolarHBondContact O-N 3.02Å; E586-I588 PolarHBondContact O-N 3.31Å; E586-M589 CarbonylContact O-C 3.15Å; E586-M589 PolarHBondContact O-N 3.25Å; E586-F590 WeakPolarHBondContact O-CB 3.34Å; E586-F590 PolarHBondContact O-N 3.36Å |
| 587 | D | 73.9 | Confident | 76.9 | Confident | 83 Ų | 83 | 42.5 Ų | 42.5 | 44% | 0.444 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 179.7 | -61.8 | -51 | 0 | 0 | 0 | 113 | C585 F590 V591 | C585-D587 PolarHBondContact O-N 3.25Å; D587-F590 WeakPolarHBondContact O-CB 3.46Å; D587-F590 PolarHBondContact O-N 3.1Å; D587-V591 WeakPolarHBondContact O-CG2 3.4Å; D587-V591 PolarHBondContact O-N 2.52Å |
| 588 | I | 76.9 | Confident | 76 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.1 | -46 | 176.5 | -47.5 | 174.5 | 0 | 0 | 0 | 109.4 | L473 I580 L583 C585 E586 F590 V591 L592 | L473-I588 HydrophobicContact CD1-CD1 3.78Å; L473-I588 HydrophobicContact CD1-CG1 4.22Å; L473-I588 HydrophobicContact CD2-CD1 3.38Å; L473-I588 HydrophobicContact CD2-CG1 4.16Å; L473-I588 HydrophobicContact CG-CD1 4.15Å; I580-I588 HydrophobicContact CG2-CD1 4.01Å; I580-I588 HydrophobicContact CG2-CG2 3.84Å; L583-I588 HydrophobicContact CD1-CD1 4.32Å; C585-I588 HydrophobicContact CB-CB 4.35Å; C585-I588 HydrophobicContact CB-CD1 3.59Å; C585-I588 HydrophobicContact CB-CG1 3.71Å; C585-I588 PolarHBondContact O-N 3.18Å; E586-I588 PolarHBondContact O-N 3.31Å; I588-F590 PolarHBondContact O-N 2.91Å; I588-V591 PolarHBondContact O-N 3.36Å; I588-L592 HydrophobicContact CG2-CD1 3.72Å; I588-L592 HydrophobicContact CG2-CG 4.03Å; I588-L592 WeakPolarHBondContact O-CB 3.23Å; I588-L592 WeakPolarHBondContact O-CG 3.38Å; I588-L592 PolarHBondContact O-N 3.07Å |
| 589 | M | 76.9 | Confident | 74.9 | Confident | 9 Ų | 9 | 48 Ų | 48 | 4% | 0.044 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -29.3 | 174.8 | -74.1 | -61.6 | -63.4 | 0 | 0 | 111.7 | C585 E586 V593 L594 L1470 Y1473 I1475 L1478 | C585-M589 PolarHBondContact O-N 2.83Å; C585-M589 VanDerWaalsContact O-N 3.09Å; E586-M589 CarbonylContact O-C 3.15Å; E586-M589 PolarHBondContact O-N 3.25Å; M589-V593 HydrophobicContact CE-CB 4.42Å; M589-V593 HydrophobicContact CE-CG2 4.29Å; M589-V593 CarbonylContact O-C 3.59Å; M589-V593 WeakPolarHBondContact O-CA 3.48Å; M589-V593 WeakPolarHBondContact O-CB 3.35Å; M589-V593 PolarHBondContact O-N 3.24Å; M589-V593 VanDerWaalsContact O-N 3.07Å; M589-L594 PolarHBondContact O-N 3.28Å; M589-L1470 HydrophobicContact CE-CD2 3.98Å; M589-L1470 HydrophobicContact SD-CD2 4.36Å; M589-Y1473 HydrophobicContact CE-CD1 4.16Å; M589-Y1473 HydrophobicContact CE-CD2 3.78Å; M589-Y1473 HydrophobicContact CE-CE1 4.1Å; M589-Y1473 HydrophobicContact CE-CE2 3.73Å; M589-Y1473 HydrophobicContact CE-CG 4Å; M589-Y1473 HydrophobicContact CG-CE1 4.01Å; M589-Y1473 HydrophobicContact SD-CE1 4.29Å; M589-Y1473 HydrophobicContact SD-CE2 3.92Å; M589-I1475 HydrophobicContact CE-CD1 4.15Å; M589-L1478 HydrophobicContact CE-CD2 4.42Å |
| 590 | F | 76.5 | Confident | 73.8 | Confident | 94 Ų | 94 | 47.8 Ų | 47.8 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -67.9 | -55.1 | 170.9 | -177.9 | -96.5 | 0 | 0 | 0 | 111.7 | E586 D587 I588 L594 K595 I598 | E586-F590 WeakPolarHBondContact O-CB 3.34Å; E586-F590 PolarHBondContact O-N 3.36Å; D587-F590 WeakPolarHBondContact O-CB 3.46Å; D587-F590 PolarHBondContact O-N 3.1Å; I588-F590 PolarHBondContact O-N 2.91Å; F590-L594 HydrophobicContact CB-CD1 4.43Å; F590-L594 HydrophobicContact CD2-CB 3.95Å; F590-L594 HydrophobicContact CD2-CD1 4.45Å; F590-L594 PolarHBondContact O-N 2.9Å; F590-K595 HydrophobicContact CD1-CB 4.37Å; F590-K595 HydrophobicContact CE1-CB 4.11Å; F590-K595 HydrophobicContact CE1-CG 4.49Å; F590-K595 HydrophobicContact CZ-CB 4.22Å; F590-K595 WeakPolarHBondContact O-CB 3.39Å; F590-K595 PolarHBondContact O-N 3.25Å; F590-I598 HydrophobicContact CE2-CD1 4.07Å; F590-I598 HydrophobicContact CZ-CD1 4.4Å |
| 591 | V | 75 | Confident | 72.5 | Confident | 46 Ų | 46 | 52 Ų | 52 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -63.9 | -45.8 | -177.3 | 174.7 | 0 | 0 | 0 | 0 | 112.3 | L477 D587 I588 H596 | L477-V591 HydrophobicContact CD1-CG2 4.47Å; L477-V591 HydrophobicContact CD2-CB 4.02Å; L477-V591 HydrophobicContact CD2-CG1 3.77Å; L477-V591 HydrophobicContact CD2-CG2 3.96Å; D587-V591 WeakPolarHBondContact O-CG2 3.4Å; D587-V591 PolarHBondContact O-N 2.52Å; I588-V591 PolarHBondContact O-N 3.36Å; V591-H596 PolarHBondContact O-CE1 2.97Å; V591-H596 PolarHBondContact O-ND1 2.99Å |
| 592 | L | 77.3 | Confident | 71.4 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -72.7 | -43.5 | -178.6 | -66.4 | -176.1 | 0 | 0 | 0 | 112.4 | M555 I559 I588 H596 F1441 | M555-L592 HydrophobicContact CE-CD1 4.06Å; M555-L592 HydrophobicContact CE-CD2 3.82Å; M555-L592 HydrophobicContact CE-CG 4.34Å; I559-L592 HydrophobicContact CD1-CD2 3.82Å; I588-L592 HydrophobicContact CG2-CD1 3.72Å; I588-L592 HydrophobicContact CG2-CG 4.03Å; I588-L592 WeakPolarHBondContact O-CB 3.23Å; I588-L592 WeakPolarHBondContact O-CG 3.38Å; I588-L592 PolarHBondContact O-N 3.07Å; L592-H596 PolarHBondContact O-ND1 3.15Å; L592-F1441 HydrophobicContact CB-CD1 4.08Å; L592-F1441 HydrophobicContact CB-CG 4.47Å; L592-F1441 HydrophobicContact CD1-CD1 4.41Å; L592-F1441 HydrophobicContact CD1-CE1 4.44Å; L592-F1441 HydrophobicContact CD2-CB 4.28Å; L592-F1441 HydrophobicContact CD2-CG 4.36Å |
| 593 | V | 74.2 | Confident | 70.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -117.9 | -70 | -168 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | M589 K595 H596 L597 F1441 L1442 L1470 L1478 | M589-V593 HydrophobicContact CE-CB 4.42Å; M589-V593 HydrophobicContact CE-CG2 4.29Å; M589-V593 CarbonylContact O-C 3.59Å; M589-V593 WeakPolarHBondContact O-CA 3.48Å; M589-V593 WeakPolarHBondContact O-CB 3.35Å; M589-V593 PolarHBondContact O-N 3.24Å; M589-V593 VanDerWaalsContact O-N 3.07Å; V593-K595 VanDerWaalsContact C-N 3.32Å; V593-K595 PolarHBondContact O-N 3.35Å; V593-H596 PolarHBondContact O-N 3.05Å; V593-L597 HydrophobicContact CG1-CD1 3.69Å; V593-L597 HydrophobicContact CG1-CG 3.99Å; V593-L597 WeakPolarHBondContact O-CG 3.4Å; V593-L597 PolarHBondContact O-N 3.17Å; V593-L597 VanDerWaalsContact O-N 3.12Å; V593-F1441 HydrophobicContact CG2-CD1 4.39Å; V593-L1442 HydrophobicContact CG1-CD1 4.26Å; V593-L1442 HydrophobicContact CG2-CD2 4.25Å; V593-L1442 HydrophobicContact CG2-CG 4.4Å; V593-L1470 HydrophobicContact CG2-CD2 4.12Å; V593-L1478 HydrophobicContact CG1-CD1 4.01Å; V593-L1478 HydrophobicContact CG1-CD2 4.22Å |
| 594 | L | 72.9 | Confident | 69.3 | Low | 51 Ų | 51 | 56.2 Ų | 56.2 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | I | π-helix | trans | -60.6 | -38.4 | -163.7 | -55.9 | 167 | 0 | 0 | 0 | 113.3 | M589 F590 H596 L597 I598 I1475 | M589-L594 PolarHBondContact O-N 3.28Å; F590-L594 HydrophobicContact CB-CD1 4.43Å; F590-L594 HydrophobicContact CD2-CB 3.95Å; F590-L594 HydrophobicContact CD2-CD1 4.45Å; F590-L594 PolarHBondContact O-N 2.9Å; L594-H596 VanDerWaalsContact C-N 3.26Å; L594-H596 PolarHBondContact O-N 3.46Å; L594-L597 CarbonylContact O-C 3.58Å; L594-L597 WeakPolarHBondContact O-CA 3.48Å; L594-L597 PolarHBondContact O-N 2.87Å; L594-I598 PolarHBondContact O-N 3.33Å; L594-I598 VanDerWaalsContact O-N 3.09Å; L594-I1475 HydrophobicContact CD2-CD1 3.74Å; L594-I1475 HydrophobicContact CD2-CG1 4.1Å; L594-I1475 HydrophobicContact CD2-CG2 3.76Å |
| 595 | K | 75.9 | Confident | 68.6 | Low | 108 Ų | 108 | 55.5 Ų | 55.5 | 47% | 0.47 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -52.8 | -44.6 | 175.2 | 178.3 | -173.9 | 174.4 | -170 | 0 | 111.7 | F590 V593 L597 I598 P599 | F590-K595 HydrophobicContact CD1-CB 4.37Å; F590-K595 HydrophobicContact CE1-CB 4.11Å; F590-K595 HydrophobicContact CE1-CG 4.49Å; F590-K595 HydrophobicContact CZ-CB 4.22Å; F590-K595 WeakPolarHBondContact O-CB 3.39Å; F590-K595 PolarHBondContact O-N 3.25Å; V593-K595 VanDerWaalsContact C-N 3.32Å; V593-K595 PolarHBondContact O-N 3.35Å; K595-L597 VanDerWaalsContact C-N 3.34Å; K595-I598 PolarHBondContact O-N 2.84Å; K595-P599 WeakPolarHBondContact O-CD 3.3Å |
| 596 | H | 68.3 | Low | 67.9 | Low | 41 Ų | 41 | 60.8 Ų | 60.8 | 19% | 0.19 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -78.7 | -18.1 | 178.6 | -53.7 | 113.1 | 0 | 0 | 0 | 112.8 | V591 L592 V593 L594 L1438 | V591-H596 PolarHBondContact O-CE1 2.97Å; V591-H596 PolarHBondContact O-ND1 2.99Å; L592-H596 PolarHBondContact O-ND1 3.15Å; V593-H596 PolarHBondContact O-N 3.05Å; L594-H596 VanDerWaalsContact C-N 3.26Å; L594-H596 PolarHBondContact O-N 3.46Å; H596-L1438 VanDerWaalsContact CB-O 3.32Å; H596-L1438 WeakPolarHBondContact CB-O 3.34Å |
| 597 | L | 67.4 | Low | 66.8 | Low | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -84.7 | -12 | 172.7 | -57.7 | -165.1 | 0 | 0 | 0 | 114 | V593 L594 K595 V600 R601 L1442 L1477 L1478 I1481 | V593-L597 HydrophobicContact CG1-CD1 3.69Å; V593-L597 HydrophobicContact CG1-CG 3.99Å; V593-L597 WeakPolarHBondContact O-CG 3.4Å; V593-L597 PolarHBondContact O-N 3.17Å; V593-L597 VanDerWaalsContact O-N 3.12Å; L594-L597 CarbonylContact O-C 3.58Å; L594-L597 WeakPolarHBondContact O-CA 3.48Å; L594-L597 PolarHBondContact O-N 2.87Å; K595-L597 VanDerWaalsContact C-N 3.34Å; L597-V600 PolarHBondContact O-N 2.73Å; L597-R601 WeakPolarHBondContact O-CB 3.45Å; L597-R601 PolarHBondContact O-N 3.07Å; L597-L1442 HydrophobicContact CD2-CD1 4.06Å; L597-L1477 HydrophobicContact CB-CD2 4.48Å; L597-L1477 HydrophobicContact CD1-CB 4.06Å; L597-L1478 HydrophobicContact CD1-CB 4.11Å; L597-L1478 HydrophobicContact CD1-CD1 4.36Å; L597-I1481 HydrophobicContact CD1-CD1 4.15Å; L597-I1481 HydrophobicContact CD2-CD1 3.44Å; L597-I1481 VanDerWaalsContact CD2-CD1 3.44Å; L597-I1481 HydrophobicContact CG-CD1 4.35Å |
| 598 | I | 67.2 | Low | 65.1 | Low | 64 Ų | 64 | 55.3 Ų | 55.3 | 33% | 0.328 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.9 | -49.5 | 175.8 | -69.3 | 165.1 | 0 | 0 | 0 | 111.8 | F590 L594 K595 V600 R601 D602 | F590-I598 HydrophobicContact CE2-CD1 4.07Å; F590-I598 HydrophobicContact CZ-CD1 4.4Å; L594-I598 PolarHBondContact O-N 3.33Å; L594-I598 VanDerWaalsContact O-N 3.09Å; K595-I598 PolarHBondContact O-N 2.84Å; I598-V600 PolarHBondContact O-N 3.47Å; I598-R601 VanDerWaalsContact O-CB 3.28Å; I598-R601 WeakPolarHBondContact O-CB 3.48Å; I598-R601 PolarHBondContact O-N 2.99Å; I598-R601 VanDerWaalsContact O-N 3.13Å; I598-D602 PolarHBondContact O-N 3.47Å; I598-D602 VanDerWaalsContact O-N 3.12Å |
| 599 | P | 62.5 | Low | 63.8 | Low | 68 Ų | 68 | 57.8 Ų | 57.8 | 44% | 0.442 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.8 | -37.5 | 172.9 | -25.9 | 35.1 | 0 | 0 | 0 | 113 | K595 D602 H603 P1436 | K595-P599 WeakPolarHBondContact O-CD 3.3Å; P599-D602 PolarHBondContact O-N 3.4Å; P599-H603 WeakPolarHBondContact O-CB 3.29Å; P599-H603 PolarHBondContact O-N 3.28Å; P599-P1436 HydrophobicContact CB-CB 4.07Å |
| 600 | V | 59.3 | Low | 62.4 | Low | 19 Ų | 19 | 63.2 Ų | 63.2 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 177.4 | -172.2 | 0 | 0 | 0 | 0 | 111.4 | L597 I598 L604 P1436 I1481 | L597-V600 PolarHBondContact O-N 2.73Å; I598-V600 PolarHBondContact O-N 3.47Å; V600-L604 HydrophobicContact CG1-CD1 4.1Å; V600-L604 WeakPolarHBondContact O-CB 3.45Å; V600-L604 VanDerWaalsContact O-CG 3.29Å; V600-L604 WeakPolarHBondContact O-CG 3.39Å; V600-L604 PolarHBondContact O-N 3.02Å; V600-P1436 HydrophobicContact CG2-CB 3.96Å; V600-P1436 HydrophobicContact CG2-CG 4.16Å; V600-I1481 HydrophobicContact CG1-CD1 4.04Å |
| 601 | R | 58.8 | Low | 61.1 | Low | 92 Ų | 92 | 63 Ų | 63 | 35% | 0.347 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.1 | -48 | 173.6 | -175 | -164.7 | 69.2 | -165.2 | -6.7 | 111.5 | L597 I598 L604 F605 L1477 | L597-R601 WeakPolarHBondContact O-CB 3.45Å; L597-R601 PolarHBondContact O-N 3.07Å; I598-R601 VanDerWaalsContact O-CB 3.28Å; I598-R601 WeakPolarHBondContact O-CB 3.48Å; I598-R601 PolarHBondContact O-N 2.99Å; I598-R601 VanDerWaalsContact O-N 3.13Å; R601-L604 WeakPolarHBondContact O-CB 3.47Å; R601-L604 PolarHBondContact O-N 3.31Å; R601-F605 HydrophobicContact CG-CD2 3.88Å; R601-F605 HydrophobicContact CG-CE2 3.67Å; R601-F605 WeakPolarHBondContact O-CD2 3.35Å; R601-F605 PolarHBondContact O-N 3.1Å; R601-L1477 HydrophobicContact CB-CD1 3.78Å; R601-L1477 HydrophobicContact CB-CD2 4.25Å; R601-L1477 HydrophobicContact CG-CD1 3.97Å |
| 602 | D | 57.6 | Low | 59.6 | Low | 62 Ų | 62 | 65.1 Ų | 65.1 | 33% | 0.332 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -76 | -32.6 | -173.1 | -62.3 | -19.6 | 0 | 0 | 0 | 110.9 | I598 P599 N606 | I598-D602 PolarHBondContact O-N 3.47Å; I598-D602 VanDerWaalsContact O-N 3.12Å; P599-D602 PolarHBondContact O-N 3.4Å; D602-N606 WeakPolarHBondContact O-CB 3.45Å; D602-N606 VanDerWaalsContact O-CG 3.23Å; D602-N606 PolarHBondContact O-N 2.79Å; D602-N606 PolarHBondContact O-ND2 2.97Å |
| 603 | H | 57.5 | Low | 57.8 | Low | 91 Ų | 91 | 70 Ų | 70 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 167.8 | -155 | 79.4 | 0 | 0 | 0 | 112.2 | P599 N606 I607 | P599-H603 WeakPolarHBondContact O-CB 3.29Å; P599-H603 PolarHBondContact O-N 3.28Å; H603-N606 PolarHBondContact O-N 3.27Å; H603-I607 WeakPolarHBondContact O-CG1 3.48Å; H603-I607 PolarHBondContact O-N 3.04Å; H603-I607 VanDerWaalsContact O-N 3.13Å |
| 604 | L | 56.8 | Low | 56.2 | Low | 27 Ų | 27 | 74.8 Ų | 74.8 | 14% | 0.141 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 173.6 | -82.3 | 163.9 | 0 | 0 | 0 | 112 | V600 R601 N606 I607 G608 W609 L1477 | V600-L604 HydrophobicContact CG1-CD1 4.1Å; V600-L604 WeakPolarHBondContact O-CB 3.45Å; V600-L604 VanDerWaalsContact O-CG 3.29Å; V600-L604 WeakPolarHBondContact O-CG 3.39Å; V600-L604 PolarHBondContact O-N 3.02Å; R601-L604 WeakPolarHBondContact O-CB 3.47Å; R601-L604 PolarHBondContact O-N 3.31Å; L604-N606 VanDerWaalsContact C-N 3.35Å; L604-N606 PolarHBondContact O-N 3.11Å; L604-I607 CarbonylContact O-C 3.55Å; L604-I607 PolarHBondContact O-N 2.94Å; L604-G608 PolarHBondContact O-N 3.27Å; L604-W609 HydrophobicContact CB-CB 4.12Å; L604-W609 HydrophobicContact CD2-CB 4.26Å; L604-W609 HydrophobicContact CD2-CD2 3.89Å; L604-W609 HydrophobicContact CD2-CE3 4.46Å; L604-W609 HydrophobicContact CD2-CG 3.76Å; L604-W609 WeakPolarHBondContact O-CB 3.47Å; L604-W609 PolarHBondContact O-N 2.94Å; L604-L1477 HydrophobicContact CD1-CD2 3.97Å |
| 605 | F | 58.7 | Low | 54.7 | Low | 97 Ų | 97 | 75.7 Ų | 75.7 | 43% | 0.425 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 175.7 | -80.2 | -53.9 | 0 | 0 | 0 | 112.4 | R601 I607 G608 W609 W611 | R601-F605 HydrophobicContact CG-CD2 3.88Å; R601-F605 HydrophobicContact CG-CE2 3.67Å; R601-F605 WeakPolarHBondContact O-CD2 3.35Å; R601-F605 PolarHBondContact O-N 3.1Å; F605-I607 PolarHBondContact O-N 2.71Å; F605-G608 PolarHBondContact O-N 3.23Å; F605-W609 WeakPolarHBondContact CD1-O 3.48Å; F605-W611 AromaticContact CE1-CD1 3.61Å; F605-W611 AromaticContact CE1-NE1 3.64Å; F605-W611 AromaticContact CE2-NE1 3.96Å; F605-W611 AromaticContact CZ-CD1 3.47Å; F605-W611 VanDerWaalsContact CZ-CD1 3.47Å; F605-W611 AromaticContact CZ-NE1 3.23Å |
| 606 | N | 56.7 | Low | 53.5 | Low | 141 Ų | 141 | 74 Ų | 74 | 75% | 0.754 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64 | -24.1 | 176.5 | -76.1 | -19.6 | 0 | 0 | 0 | 113.5 | D602 H603 L604 G608 | D602-N606 WeakPolarHBondContact O-CB 3.45Å; D602-N606 VanDerWaalsContact O-CG 3.23Å; D602-N606 PolarHBondContact O-N 2.79Å; D602-N606 PolarHBondContact O-ND2 2.97Å; H603-N606 PolarHBondContact O-N 3.27Å; L604-N606 VanDerWaalsContact C-N 3.35Å; L604-N606 PolarHBondContact O-N 3.11Å; N606-G608 VanDerWaalsContact C-N 3.34Å |
| 607 | I | 52 | Low | 52.3 | Low | 78 Ų | 78 | 76.4 Ų | 76.4 | 40% | 0.4 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 23.3 | 171.6 | -37.9 | 154.7 | 0 | 0 | 0 | 111.2 | H603 L604 F605 W609 F1490 | H603-I607 WeakPolarHBondContact O-CG1 3.48Å; H603-I607 PolarHBondContact O-N 3.04Å; H603-I607 VanDerWaalsContact O-N 3.13Å; L604-I607 CarbonylContact O-C 3.55Å; L604-I607 PolarHBondContact O-N 2.94Å; F605-I607 PolarHBondContact O-N 2.71Å; I607-W609 PolarHBondContact O-N 3.4Å; I607-F1490 HydrophobicContact CB-CE1 4.09Å; I607-F1490 HydrophobicContact CB-CZ 3.83Å; I607-F1490 HydrophobicContact CD1-CE1 4.43Å; I607-F1490 HydrophobicContact CG2-CD1 4.39Å; I607-F1490 HydrophobicContact CG2-CE1 3.45Å; I607-F1490 VanDerWaalsContact CG2-CE1 3.45Å; I607-F1490 HydrophobicContact CG2-CE2 4.39Å; I607-F1490 HydrophobicContact CG2-CZ 3.44Å; I607-F1490 VanDerWaalsContact CG2-CZ 3.44Å; I607-F1490 WeakPolarHBondContact O-CZ 3.42Å |
| 608 | G | 38.7 | Very low | 51.4 | Low | 57 Ų | 57 | 80.4 Ų | 80.4 | 59% | 0.588 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 20.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | L604 F605 N606 T610 | L604-G608 PolarHBondContact O-N 3.27Å; F605-G608 PolarHBondContact O-N 3.23Å; N606-G608 VanDerWaalsContact C-N 3.34Å; G608-T610 PolarHBondContact O-N 2.9Å |
| 609 | W | 50.2 | Low | 50.4 | Low | 62 Ų | 62 | 81.2 Ų | 81.2 | 24% | 0.235 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 122.6 | 173.6 | -105.8 | 61.7 | 0 | 0 | 0 | 112.1 | L604 F605 I607 A1480 L1484 T1487 F1490 | L604-W609 HydrophobicContact CB-CB 4.12Å; L604-W609 HydrophobicContact CD2-CB 4.26Å; L604-W609 HydrophobicContact CD2-CD2 3.89Å; L604-W609 HydrophobicContact CD2-CE3 4.46Å; L604-W609 HydrophobicContact CD2-CG 3.76Å; L604-W609 WeakPolarHBondContact O-CB 3.47Å; L604-W609 PolarHBondContact O-N 2.94Å; F605-W609 WeakPolarHBondContact CD1-O 3.48Å; I607-W609 PolarHBondContact O-N 3.4Å; W609-A1480 HydrophobicContact CZ3-CB 4.47Å; W609-L1484 HydrophobicContact CH2-CD1 3.52Å; W609-L1484 HydrophobicContact CH2-CG 4.4Å; W609-L1484 HydrophobicContact CZ2-CD1 3.8Å; W609-L1484 HydrophobicContact CZ2-CD2 4.38Å; W609-L1484 HydrophobicContact CZ2-CG 4.28Å; W609-L1484 HydrophobicContact CZ3-CD1 4.37Å; W609-T1487 HydrophobicContact CZ2-CG2 3.83Å; W609-F1490 AromaticContact CD1-CE2 3.61Å; W609-F1490 AromaticContact CD1-CZ 3.64Å; W609-F1490 AromaticContact NE1-CE2 3.71Å; W609-F1490 AromaticContact NE1-CZ 3.88Å |
| 610 | T | 46.3 | Very low | 49.7 | Very low | 123 Ų | 123 | 80.7 Ų | 80.7 | 76% | 0.755 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -102.5 | 129.4 | 173.6 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | G608 | G608-T610 PolarHBondContact O-N 2.9Š|
| 611 | W | 48.9 | Very low | 48.8 | Very low | 90 Ų | 90 | 82.4 Ų | 82.4 | 34% | 0.341 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 142.5 | 176.5 | -71.7 | 107 | 0 | 0 | 0 | 112.7 | F605 P1476 L1477 | F605-W611 AromaticContact CE1-CD1 3.61Å; F605-W611 AromaticContact CE1-NE1 3.64Å; F605-W611 AromaticContact CE2-NE1 3.96Å; F605-W611 AromaticContact CZ-CD1 3.47Å; F605-W611 VanDerWaalsContact CZ-CD1 3.47Å; F605-W611 AromaticContact CZ-NE1 3.23Å; W611-P1476 HydrophobicContact CE3-CB 3.97Å; W611-P1476 HydrophobicContact CH2-CB 4.06Å; W611-P1476 HydrophobicContact CZ3-CB 3.4Å; W611-L1477 HydrophobicContact CH2-CB 4.4Å; W611-L1477 HydrophobicContact CH2-CG 3.8Å; W611-L1477 HydrophobicContact CZ2-CD1 4.3Å; W611-L1477 HydrophobicContact CZ2-CG 3.9Å |
| 612 | P | 44.4 | Very low | 48 | Very low | 89 Ų | 89 | 81.1 Ų | 81.1 | 58% | 0.578 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -67 | 134.8 | 169.4 | -18.6 | 32.4 | 0 | 0 | 0 | 111.6 | ||
| 613 | D | 39.6 | Very low | 47.8 | Very low | 110 Ų | 110 | 83.5 Ų | 83.5 | 59% | 0.588 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -59 | 132.5 | -176.8 | -90.1 | -50.9 | 0 | 0 | 0 | 113.5 | S615 T616 | D613-S615 PolarHBondContact O-N 2.96Å; D613-S615 VanDerWaalsContact O-N 3.13Å; D613-T616 HydrophobicContact CB-CG2 4.13Å; D613-T616 WeakPolarHBondContact O-CB 3.35Å; D613-T616 PolarHBondContact O-N 3.28Å; D613-T616 PolarHBondContact O-OG1 3.21Å |
| 614 | P | 41.3 | Very low | 47.1 | Very low | 100 Ų | 100 | 83.1 Ų | 83.1 | 65% | 0.649 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.6 | -26.5 | 177.4 | -25.8 | 34.4 | 0 | 0 | 0 | 114.6 | T616 V617 T618 | P614-T616 VanDerWaalsContact C-N 3.26Å; P614-T616 PolarHBondContact O-N 2.88Å; P614-V617 PolarHBondContact O-N 3.27Å; P614-T618 PolarHBondContact O-N 3.11Å; P614-T618 VanDerWaalsContact O-N 3.16Å; P614-T618 PolarHBondContact O-OG1 3.18Å |
| 615 | S | 40.5 | Very low | 46.3 | Very low | 70 Ų | 70 | 87.1 Ų | 87.1 | 49% | 0.49 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -36.5 | 173.7 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | D613 V617 T618 D619 | D613-S615 PolarHBondContact O-N 2.96Å; D613-S615 VanDerWaalsContact O-N 3.13Å; S615-V617 VanDerWaalsContact C-N 3.3Å; S615-V617 PolarHBondContact O-N 3.44Å; S615-T618 WeakPolarHBondContact CA-OG1 3.39Å; S615-T618 PolarHBondContact O-N 2.73Å; S615-T618 PolarHBondContact O-OG1 3.43Å; S615-T618 VanDerWaalsContact O-OG1 3.11Å; S615-D619 WeakPolarHBondContact O-CB 3.49Å; S615-D619 PolarHBondContact O-N 3.14Å |
| 616 | T | 50.5 | Low | 45.7 | Very low | 72 Ų | 72 | 87.3 Ų | 87.3 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68 | -31.2 | 179.2 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | D613 P614 A620 | D613-T616 HydrophobicContact CB-CG2 4.13Å; D613-T616 WeakPolarHBondContact O-CB 3.35Å; D613-T616 PolarHBondContact O-N 3.28Å; D613-T616 PolarHBondContact O-OG1 3.21Å; P614-T616 VanDerWaalsContact C-N 3.26Å; P614-T616 PolarHBondContact O-N 2.88Å; T616-A620 WeakPolarHBondContact O-CB 3.41Å; T616-A620 PolarHBondContact O-N 3.48Å |
| 617 | V | 43.4 | Very low | 44.9 | Very low | 91 Ų | 91 | 86.2 Ų | 86.2 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -76.6 | -40.7 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | P614 S615 S621 | P614-V617 PolarHBondContact O-N 3.27Å; S615-V617 VanDerWaalsContact C-N 3.3Å; S615-V617 PolarHBondContact O-N 3.44Å; V617-S621 WeakPolarHBondContact O-CB 3.03Å; V617-S621 PolarHBondContact O-N 3.25Å; V617-S621 PolarHBondContact O-OG 2.86Å |
| 618 | T | 48.9 | Very low | 44.4 | Very low | 85 Ų | 85 | 86.2 Ų | 86.2 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.4 | -37.5 | 176.9 | 42.6 | 0 | 0 | 0 | 0 | 112.7 | P614 S615 S621 T622 | P614-T618 PolarHBondContact O-N 3.11Å; P614-T618 VanDerWaalsContact O-N 3.16Å; P614-T618 PolarHBondContact O-OG1 3.18Å; S615-T618 WeakPolarHBondContact CA-OG1 3.39Å; S615-T618 PolarHBondContact O-N 2.73Å; S615-T618 PolarHBondContact O-OG1 3.43Å; S615-T618 VanDerWaalsContact O-OG1 3.11Å; T618-S621 WeakPolarHBondContact CA-OG 3.49Å; T618-S621 PolarHBondContact O-N 3.1Å; T618-S621 PolarHBondContact O-OG 3.31Å; T618-T622 WeakPolarHBondContact O-CB 3.32Å; T618-T622 WeakPolarHBondContact O-CG2 3.18Å; T618-T622 PolarHBondContact O-N 2.97Å; T618-T622 PolarHBondContact O-OG1 3Å |
| 619 | D | 46.6 | Very low | 44.2 | Very low | 81 Ų | 81 | 87 Ų | 87 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.5 | -31.4 | 174.6 | -168 | 48.7 | 0 | 0 | 0 | 111.5 | S615 T622 K623 | S615-D619 WeakPolarHBondContact O-CB 3.49Å; S615-D619 PolarHBondContact O-N 3.14Å; D619-T622 WeakPolarHBondContact CA-OG1 3.41Å; D619-T622 PolarHBondContact O-OG1 3.41Å; D619-K623 WeakPolarHBondContact O-CB 3.39Å; D619-K623 VanDerWaalsContact O-CD 3.24Å; D619-K623 WeakPolarHBondContact O-CD 3.46Å; D619-K623 WeakPolarHBondContact O-CG 3.39Å; D619-K623 PolarHBondContact O-N 2.71Å; D619-K623 VanDerWaalsContact OD1-CE 3.26Å; D619-K623 WeakPolarHBondContact OD1-CE 3.25Å; D619-K623 IonicContact OD1-NZ 2.79Å; D619-K623 PolarHBondContact OD1-NZ 3.17Å; D619-K623 VanDerWaalsContact OD1-NZ 3.12Å; D619-K623 IonicContact OD2-NZ 3.79Å; D619-K623 PolarHBondContact OD2-NZ 3.14Å |
| 620 | A | 47.3 | Very low | 43.5 | Very low | 57 Ų | 57 | 88.3 Ų | 88.3 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.8 | -44.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T616 K623 L624 | T616-A620 WeakPolarHBondContact O-CB 3.41Å; T616-A620 PolarHBondContact O-N 3.48Å; A620-K623 PolarHBondContact O-N 3.19Å; A620-L624 WeakPolarHBondContact O-CB 3.34Å; A620-L624 PolarHBondContact O-N 3.34Å |
| 621 | S | 40 | Very low | 42.7 | Very low | 56 Ų | 56 | 87.2 Ų | 87.2 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.7 | -37.5 | -178 | 66.4 | 0 | 0 | 0 | 0 | 112.5 | V617 T618 L624 L625 | V617-S621 WeakPolarHBondContact O-CB 3.03Å; V617-S621 PolarHBondContact O-N 3.25Å; V617-S621 PolarHBondContact O-OG 2.86Å; T618-S621 WeakPolarHBondContact CA-OG 3.49Å; T618-S621 PolarHBondContact O-N 3.1Å; T618-S621 PolarHBondContact O-OG 3.31Å; S621-L624 PolarHBondContact O-N 3.19Å; S621-L625 WeakPolarHBondContact O-CB 3.46Å; S621-L625 WeakPolarHBondContact O-CG 3.45Å; S621-L625 PolarHBondContact O-N 2.72Å |
| 622 | T | 42.9 | Very low | 41.6 | Very low | 65 Ų | 65 | 88 Ų | 88 | 40% | 0.399 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 170.4 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | T618 D619 L624 L625 N626 | T618-T622 WeakPolarHBondContact O-CB 3.32Å; T618-T622 WeakPolarHBondContact O-CG2 3.18Å; T618-T622 PolarHBondContact O-N 2.97Å; T618-T622 PolarHBondContact O-OG1 3Å; D619-T622 WeakPolarHBondContact CA-OG1 3.41Å; D619-T622 PolarHBondContact O-OG1 3.41Å; T622-L624 VanDerWaalsContact C-N 3.33Å; T622-L624 PolarHBondContact O-N 3.37Å; T622-L625 PolarHBondContact O-N 3.02Å; T622-N626 WeakPolarHBondContact O-CB 3.39Å; T622-N626 PolarHBondContact O-N 3.28Å; T622-N626 PolarHBondContact O-ND2 3.07Å |
| 623 | K | 52.5 | Low | 40.7 | Very low | 112 Ų | 112 | 88.6 Ų | 88.6 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.9 | -33 | 172.9 | -73.2 | 167.2 | -169.6 | 167.5 | 0 | 112.7 | D619 A620 N626 L627 | D619-K623 WeakPolarHBondContact O-CB 3.39Å; D619-K623 VanDerWaalsContact O-CD 3.24Å; D619-K623 WeakPolarHBondContact O-CD 3.46Å; D619-K623 WeakPolarHBondContact O-CG 3.39Å; D619-K623 PolarHBondContact O-N 2.71Å; D619-K623 VanDerWaalsContact OD1-CE 3.26Å; D619-K623 WeakPolarHBondContact OD1-CE 3.25Å; D619-K623 IonicContact OD1-NZ 2.79Å; D619-K623 PolarHBondContact OD1-NZ 3.17Å; D619-K623 VanDerWaalsContact OD1-NZ 3.12Å; D619-K623 IonicContact OD2-NZ 3.79Å; D619-K623 PolarHBondContact OD2-NZ 3.14Å; A620-K623 PolarHBondContact O-N 3.19Å; K623-N626 PolarHBondContact O-N 3.09Å; K623-L627 WeakPolarHBondContact O-CG 3.32Å; K623-L627 PolarHBondContact O-N 2.95Å |
| 624 | L | 42.2 | Very low | 40.2 | Very low | 83 Ų | 83 | 92.3 Ų | 92.3 | 44% | 0.435 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.7 | -37.8 | 176 | -157.2 | 155.2 | 0 | 0 | 0 | 111.8 | A620 S621 T622 L627 S628 I1646 L1650 | A620-L624 WeakPolarHBondContact O-CB 3.34Å; A620-L624 PolarHBondContact O-N 3.34Å; S621-L624 PolarHBondContact O-N 3.19Å; T622-L624 VanDerWaalsContact C-N 3.33Å; T622-L624 PolarHBondContact O-N 3.37Å; L624-L627 WeakPolarHBondContact O-CB 3.23Å; L624-L627 PolarHBondContact O-N 3.24Å; L624-S628 PolarHBondContact O-N 3.04Å; L624-I1646 HydrophobicContact CD1-CG2 4.46Å; L624-L1650 HydrophobicContact CD1-CD1 4.07Å |
| 625 | L | 40.1 | Very low | 39.5 | Very low | 110 Ų | 110 | 94.2 Ų | 94.2 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.6 | -43.1 | 168.8 | -73.2 | 164.8 | 0 | 0 | 0 | 111.3 | S621 T622 L627 S628 S629 | S621-L625 WeakPolarHBondContact O-CB 3.46Å; S621-L625 WeakPolarHBondContact O-CG 3.45Å; S621-L625 PolarHBondContact O-N 2.72Å; T622-L625 PolarHBondContact O-N 3.02Å; L625-L627 VanDerWaalsContact C-N 3.26Å; L625-L627 PolarHBondContact O-N 3.24Å; L625-S628 WeakPolarHBondContact O-CA 3.18Å; L625-S628 WeakPolarHBondContact O-CB 3.41Å; L625-S628 PolarHBondContact O-N 3.42Å; L625-S628 PolarHBondContact O-OG 3.44Å; L625-S629 PolarHBondContact O-N 3.46Å; L625-S629 VanDerWaalsContact O-N 3.13Å |
| 626 | N | 46.1 | Very low | 38.9 | Very low | 102 Ų | 102 | 101.2 Ų | 101.2 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.3 | -23.1 | 175 | -69.2 | -26.5 | 0 | 0 | 0 | 113.4 | T622 K623 S629 S630 | T622-N626 WeakPolarHBondContact O-CB 3.39Å; T622-N626 PolarHBondContact O-N 3.28Å; T622-N626 PolarHBondContact O-ND2 3.07Å; K623-N626 PolarHBondContact O-N 3.09Å; N626-S629 WeakPolarHBondContact CA-OG 3.31Å; N626-S629 PolarHBondContact O-OG 2.96Å; N626-S630 PolarHBondContact O-OG 2.88Å |
| 627 | L | 41.3 | Very low | 37.8 | Very low | 118 Ų | 118 | 104.4 Ų | 104.4 | 62% | 0.618 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.8 | -34.4 | 168.4 | -74.7 | 165.7 | 0 | 0 | 0 | 111.8 | K623 L624 L625 S629 S630 | K623-L627 WeakPolarHBondContact O-CG 3.32Å; K623-L627 PolarHBondContact O-N 2.95Å; L624-L627 WeakPolarHBondContact O-CB 3.23Å; L624-L627 PolarHBondContact O-N 3.24Å; L625-L627 VanDerWaalsContact C-N 3.26Å; L625-L627 PolarHBondContact O-N 3.24Å; L627-S629 VanDerWaalsContact C-N 3.33Å; L627-S629 PolarHBondContact O-N 2.97Å; L627-S630 WeakPolarHBondContact O-CB 3.47Å; L627-S630 PolarHBondContact O-N 3.49Å |
| 628 | S | 40.2 | Very low | 37.2 | Very low | 78 Ų | 78 | 106 Ų | 106 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.9 | -37.2 | 174 | 80.1 | 0 | 0 | 0 | 0 | 112.5 | L624 L625 S630 | L624-S628 PolarHBondContact O-N 3.04Å; L625-S628 WeakPolarHBondContact O-CA 3.18Å; L625-S628 WeakPolarHBondContact O-CB 3.41Å; L625-S628 PolarHBondContact O-N 3.42Å; L625-S628 PolarHBondContact O-OG 3.44Å; S628-S630 PolarHBondContact O-N 3.41Å |
| 629 | S | 36 | Very low | 36 | Very low | 74 Ų | 74 | 107.6 Ų | 107.6 | 52% | 0.517 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | 0.1 | 172.3 | 58.1 | 0 | 0 | 0 | 0 | 114.4 | L625 N626 L627 | L625-S629 PolarHBondContact O-N 3.46Å; L625-S629 VanDerWaalsContact O-N 3.13Å; N626-S629 WeakPolarHBondContact CA-OG 3.31Å; N626-S629 PolarHBondContact O-OG 2.96Å; L627-S629 VanDerWaalsContact C-N 3.33Å; L627-S629 PolarHBondContact O-N 2.97Å |
| 630 | S | 34.1 | Very low | 35.1 | Very low | 89 Ų | 89 | 109.6 Ų | 109.6 | 62% | 0.622 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 0.8 | 180 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | N626 L627 S628 | N626-S630 PolarHBondContact O-OG 2.88Å; L627-S630 WeakPolarHBondContact O-CB 3.47Å; L627-S630 PolarHBondContact O-N 3.49Å; S628-S630 PolarHBondContact O-N 3.41Å |
| 631 | S | 29.3 | Very low | 34.2 | Very low | 99 Ų | 99 | 111.1 Ų | 111.1 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | trans | -103.5 | 11.6 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 114.5 | S633 | S631-S633 VanDerWaalsContact C-N 3.31Å; S631-S633 PolarHBondContact O-N 3.25Å | ||
| 632 | S | 25.8 | Very low | 33.4 | Very low | 106 Ų | 106 | 119.5 Ų | 119.5 | 74% | 0.741 | 67% | 0.668 | S | S | * | * | trans | -79 | 61.3 | -172.1 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 633 | S | 26.6 | Very low | 32.7 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | trans | -153.6 | 28.5 | 178.4 | 66 | 0 | 0 | 0 | 0 | 117.5 | S631 | S631-S633 VanDerWaalsContact C-N 3.31Å; S631-S633 PolarHBondContact O-N 3.25Å | ||
| 634 | M | 29.8 | Very low | 31.4 | Very low | 189 Ų | 189 | 130 Ų | 130 | 93% | 0.931 | 71% | 0.708 | S | S | * | * | trans | -135.8 | 111.1 | 160.9 | -74 | -162.6 | 175.8 | 0 | 0 | 111.3 | ||||
| 635 | N | 26.1 | Very low | 30.6 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | trans | -89.3 | 128.9 | -172.8 | -65.3 | -16.1 | 0 | 0 | 0 | 112.7 | ||||
| 636 | F | 28.4 | Very low | 30 | Very low | 217 Ų | 217 | 131.2 Ų | 131.2 | 95% | 0.952 | 73% | 0.733 | S | S | * | * | trans | -139.9 | 120.9 | 145.5 | -87.7 | -80.3 | 0 | 0 | 0 | 108.2 | ||||
| 637 | N | 26.6 | Very low | 29 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | -93.2 | 128.3 | -176.7 | -78.6 | -33.2 | 0 | 0 | 0 | 111 | ||||
| 638 | L | 29.8 | Very low | 28.2 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 64% | 0.644 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 168 | 113.4 | 149 | -116.7 | 53.6 | 0 | 0 | 0 | 108.2 | Q1286 | L638-Q1286 HydrophobicContact CB-CG 4.16Å; L638-Q1286 HydrophobicContact CD2-CG 4.02Å; L638-Q1286 VanDerWaalsContact CD2-OE1 3.31Å; L638-Q1286 HydrophobicContact CG-CG 4.4Å |
| 639 | D | 24.3 | Very low | 27.6 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -123 | 138.1 | -3.4 | -91.9 | -54.6 | 0 | 0 | 0 | 111 | Q1286 | D639-Q1286 PolarHBondContact OD2-NE2 3.48Å; D639-Q1286 PolarHBondContact OD2-OE1 2.96Å | ||
| 640 | S | 27.6 | Very low | 27.2 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -126.6 | 68.2 | 171.8 | -170.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 641 | A | 27.8 | Very low | 26.9 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -142.8 | 136 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 642 | R | 24.5 | Very low | 26.7 | Very low | 233 Ų | 233 | 140.8 Ų | 140.8 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | S | Bend | cis | -146.3 | 79.1 | 33.3 | -177.1 | -168 | -93.3 | 180 | -9.2 | 112 | ||
| 643 | F | 27.4 | Very low | 26.8 | Very low | 197 Ų | 197 | 142.9 Ų | 142.9 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -141.2 | 109 | 166.3 | -106.8 | -84.5 | 0 | 0 | 0 | 112.8 | ||
| 644 | K | 25.3 | Very low | 26.9 | Very low | 200 Ų | 200 | 145 Ų | 145 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 72.9 | 149.8 | 169.7 | -65.8 | -180 | 175.1 | 176.2 | 0 | 119.8 | ||
| 645 | A | 25.8 | Very low | 26.6 | Very low | 89 Ų | 89 | 139.9 Ų | 139.9 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | 75.1 | 95.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 646 | T | 27.4 | Very low | 26.6 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | 179.8 | 94.4 | 130.9 | 18.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 647 | T | 25.8 | Very low | 26.5 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 68% | 0.681 | 72% | 0.716 | S | S | * | * | 51.4 | 140.7 | 78.8 | 67.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 648 | D | 24.5 | Very low | 26.5 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | trans | 71.2 | 160 | 169.5 | -51.5 | -45 | 0 | 0 | 0 | 118.9 | K1251 | D648-K1251 PolarHBondContact O-NZ 3.13Š| ||
| 649 | E | 27.5 | Very low | 26.4 | Very low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | trans | 46.4 | 117.3 | -176.4 | -57.9 | -177.7 | -168.3 | 0 | 0 | 116.8 | K1251 | E649-K1251 WeakPolarHBondContact O-CE 3.5Å; E649-K1251 PolarHBondContact O-NZ 3.36Å | ||
| 650 | S | 27.5 | Very low | 26.4 | Very low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | cis | -165.3 | 178.3 | -6.9 | 61.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 651 | I | 26.5 | Very low | 26.4 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 65% | 0.651 | 70% | 0.704 | S | S | * | * | cis | -155.1 | 147.8 | 9.6 | -154.6 | 152.6 | 0 | 0 | 0 | 111.1 | ||||
| 652 | I | 26.4 | Very low | 26.1 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 66% | 0.662 | 71% | 0.71 | S | S | * | * | trans | 48.1 | 114.3 | 147.1 | -74.4 | 173.9 | 0 | 0 | 0 | 121.5 | ||||
| 653 | H | 28.2 | Very low | 26.2 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 69% | 0.694 | 70% | 0.698 | S | S | * | * | trans | 64.2 | 157.8 | 144 | -66.1 | -139 | 0 | 0 | 0 | 117.9 | ||||
| 654 | H | 27.5 | Very low | 26.1 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 68% | 0.676 | 69% | 0.688 | S | S | * | * | cis | -143.6 | 134.9 | -6.2 | -116.2 | -59.4 | 0 | 0 | 0 | 106.1 | ||||
| 655 | S | 23.9 | Very low | 26.1 | Very low | 81 Ų | 81 | 132.9 Ų | 132.9 | 57% | 0.566 | 68% | 0.679 | S | S | * | * | 57.6 | 149.8 | 104.2 | 81 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 656 | D | 27.1 | Very low | 26.1 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 68% | 0.684 | 68% | 0.677 | S | S | * | * | cis | -140.6 | 132.6 | 25.4 | -85.9 | -77 | 0 | 0 | 0 | 111.1 | ||||
| 657 | S | 24.6 | Very low | 26 | Very low | 75 Ų | 75 | 139 Ų | 139 | 52% | 0.524 | 68% | 0.675 | S | S | . | * | 88.6 | 145.1 | 93.9 | -150.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 658 | Y | 26.8 | Very low | 25.9 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 73% | 0.729 | 68% | 0.683 | S | S | * | * | cis | -142.2 | 148.2 | 32.4 | -75 | -96.3 | 0 | 0 | 0 | 114.7 | ||||
| 659 | H | 27.2 | Very low | 25.9 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 59% | 0.593 | 68% | 0.678 | S | S | * | * | trans | 43.9 | 141.2 | 142.1 | -61.3 | -24.6 | 0 | 0 | 0 | 120.7 | ||||
| 660 | Y | 25.1 | Very low | 25.7 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 72% | 0.718 | 68% | 0.681 | S | S | * | * | cis | -169.4 | 163.9 | 4.1 | -109.8 | -28.8 | 0 | 0 | 0 | 107.7 | ||||
| 661 | H | 28.7 | Very low | 25.8 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 59% | 0.593 | 68% | 0.681 | S | S | * | * | cis | -154.8 | 151.6 | -6 | -155.3 | -57.1 | 0 | 0 | 0 | 107.7 | H663 | H661-H663 AromaticContact CE1-CD2 3.66Å; H661-H663 PolarHBondContact CE1-N 2.81Å; H661-H663 WeakPolarHBondContact NE2-CB 3.36Å; H661-H663 AromaticContact NE2-CD2 2.92Å; H661-H663 PolarHBondContact NE2-CD2 3.38Å; H661-H663 AromaticContact NE2-CG 3.43Å | ||
| 662 | Q | 21.4 | Very low | 25.7 | Very low | 184 Ų | 184 | 142 Ų | 142 | 86% | 0.86 | 68% | 0.682 | S | S | * | * | trans | -136.5 | 100.7 | 161.3 | -89.6 | -164.7 | -2 | 0 | 0 | 111.5 | ||||
| 663 | H | 26.1 | Very low | 25.8 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 63% | 0.625 | 69% | 0.685 | S | S | * | * | trans | -161.3 | 146.1 | 161.7 | -80.9 | -91 | 0 | 0 | 0 | 104.5 | H661 | H661-H663 AromaticContact CE1-CD2 3.66Å; H661-H663 PolarHBondContact CE1-N 2.81Å; H661-H663 WeakPolarHBondContact NE2-CB 3.36Å; H661-H663 AromaticContact NE2-CD2 2.92Å; H661-H663 PolarHBondContact NE2-CD2 3.38Å; H661-H663 AromaticContact NE2-CG 3.43Å | ||
| 664 | E | 24.7 | Very low | 25.5 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 64% | 0.64 | 69% | 0.687 | S | S | * | * | cis | -160.1 | 172 | -3.9 | -125.6 | 174.1 | -166.2 | 0 | 0 | 111.8 | H666 | E664-H666 PolarHBondContact O-N 3.31Š| ||
| 665 | Q | 24.9 | Very low | 25.3 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | trans | 10.1 | 98.5 | 148.4 | -60.6 | 169.1 | 55.2 | 0 | 0 | 118.4 | ||||
| 666 | H | 27.4 | Very low | 25.4 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 68% | 0.681 | 70% | 0.695 | S | S | * | * | -174.3 | 144.1 | 125 | -99.3 | -25.8 | 0 | 0 | 0 | 115.5 | E664 | E664-H666 PolarHBondContact O-N 3.31Š| |||
| 667 | R | 24.8 | Very low | 25.2 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 75% | 0.751 | 70% | 0.697 | S | S | * | * | trans | 40.1 | 114.1 | 142.9 | -69 | 176.8 | -100.9 | -163.1 | -4.1 | 120.1 | ||||
| 668 | Q | 22.8 | Very low | 25.1 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | 1.8 | 158.3 | 119.3 | -68.9 | -168.3 | 23.8 | 0 | 0 | 119 | |||||
| 669 | P | 24.6 | Very low | 25 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 62% | 0.617 | 71% | 0.707 | S | S | * | * | cis | -146.1 | 164.3 | -28.3 | 39.5 | -22 | 0 | 0 | 0 | 115.9 | ||||
| 670 | K | 23.9 | Very low | 25 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | trans | 61.8 | -172.6 | 161.4 | -64.6 | 178.4 | 176.3 | -177.7 | 0 | 114.2 | ||||
| 671 | P | 28.6 | Very low | 25.1 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | -131.2 | -166.4 | -74.8 | 40.3 | -24.8 | 0 | 0 | 0 | 113.1 | |||||
| 672 | N | 25.3 | Very low | 25.1 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | trans | 99.5 | 137.8 | 157.2 | -60.3 | -26.3 | 0 | 0 | 0 | 118.2 | ||||
| 673 | H | 27.8 | Very low | 25.4 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | trans | 55.5 | 145.5 | 137.5 | -64.2 | -20.9 | 0 | 0 | 0 | 119.9 | ||||
| 674 | R | 23.4 | Very low | 25.6 | Very low | 197 Ų | 197 | 140 Ų | 140 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | cis | -177.8 | 141.7 | -17.4 | -125.5 | -175.4 | 165.5 | 167.9 | -5.9 | 104.8 | ||||
| 675 | N | 23.2 | Very low | 25.7 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 67% | 0.674 | 71% | 0.708 | S | S | * | * | trans | 64.6 | 155.1 | 152.6 | -56.9 | 10.7 | 0 | 0 | 0 | 119.1 | ||||
| 676 | N | 25.2 | Very low | 26 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | 61.9 | 107.3 | 157.2 | -59.2 | 4.9 | 0 | 0 | 0 | 117.3 | ||||
| 677 | T | 22.4 | Very low | 26 | Very low | 120 Ų | 120 | 139 Ų | 139 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | 78 | 151.1 | 60.7 | 66.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 678 | V | 23.1 | Very low | 26.3 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 81% | 0.806 | 70% | 0.703 | S | S | * | * | trans | 82 | 145 | 170.3 | -165.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 679 | A | 25.7 | Very low | 26.5 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 65% | 0.645 | 70% | 0.698 | S | S | * | * | trans | 75.9 | 139.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 680 | Q | 26.3 | Very low | 26.5 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | cis | -173.7 | 159.9 | -16.2 | -133.7 | 167.1 | -39 | 0 | 0 | 111 | ||||
| 681 | L | 27.2 | Very low | 26.7 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | trans | 68.9 | 145.7 | 160.4 | -53.8 | 164 | 0 | 0 | 0 | 115.2 | ||||
| 682 | D | 28.9 | Very low | 26.6 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 61% | 0.61 | 69% | 0.688 | S | S | * | * | cis | -159.1 | 154.6 | -1.2 | -118.1 | -12.9 | 0 | 0 | 0 | 111.8 | ||||
| 683 | I | 27.9 | Very low | 26.6 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 68% | 0.677 | 69% | 0.693 | S | S | * | * | trans | 39 | 126.7 | 132.1 | -65.1 | 169 | 0 | 0 | 0 | 117.6 | ||||
| 684 | D | 29.5 | Very low | 26.6 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 67% | 0.674 | 70% | 0.702 | S | S | * | * | cis | -172.3 | 168.8 | 10.8 | -117.2 | 28.9 | 0 | 0 | 0 | 108.5 | ||||
| 685 | N | 27.9 | Very low | 26.6 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 66% | 0.658 | 71% | 0.708 | S | S | * | * | cis | -167.7 | 176.5 | -19.5 | -140.4 | -31.5 | 0 | 0 | 0 | 110.1 | ||||
| 686 | V | 29.4 | Very low | 26.8 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 66% | 0.661 | 72% | 0.715 | S | S | * | * | trans | 64.8 | 137.1 | 147.7 | 164.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 687 | E | 29.5 | Very low | 26.7 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 84% | 0.841 | 72% | 0.718 | S | S | * | * | cis | -119.1 | -145.9 | 17.3 | -157.9 | 132.8 | -107.2 | 0 | 0 | 114.4 | ||||
| 688 | E | 29 | Very low | 26.7 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 52% | 0.519 | 71% | 0.714 | S | S | . | * | trans | -125.9 | 174.5 | -171 | -83.7 | -154.2 | 70.4 | 0 | 0 | 111.3 | N690 | E688-N690 PolarHBondContact OE1-ND2 3.45Š| ||
| 689 | F | 28 | Very low | 26.8 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 73% | 0.732 | 71% | 0.712 | S | S | * | * | cis | -126.4 | 167.5 | 12.8 | -55.7 | -90.2 | 0 | 0 | 0 | 110.3 | ||||
| 690 | N | 24.8 | Very low | 26.8 | Very low | 108 Ų | 108 | 138 Ų | 138 | 58% | 0.578 | 71% | 0.713 | S | S | * | * | cis | 71.9 | 140.2 | 29.4 | -63.1 | -29.7 | 0 | 0 | 0 | 114.3 | E688 | E688-N690 PolarHBondContact OE1-ND2 3.45Š| ||
| 691 | Y | 28.8 | Very low | 26.6 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | cis | -117.3 | 137.2 | 19 | -77.3 | -107.2 | 0 | 0 | 0 | 112.1 | ||||
| 692 | S | 26.4 | Very low | 26.5 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 56% | 0.559 | 72% | 0.716 | S | S | * | * | 63 | 112.6 | 84.3 | -39.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 693 | S | 24.7 | Very low | 26.5 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | cis | 74 | 121.2 | 49.5 | -60.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 694 | D | 26.7 | Very low | 26.4 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 90% | 0.904 | 72% | 0.723 | S | S | * | * | -168 | 163.8 | 113.5 | -110.5 | -16.6 | 0 | 0 | 0 | 114.8 | |||||
| 695 | Q | 24 | Very low | 26.1 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | -110.6 | 147.8 | 178 | -61.6 | 177.2 | -9.7 | 0 | 0 | 111.6 | ||||
| 696 | S | 26.6 | Very low | 26 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -167.1 | 124.1 | 144.4 | 29.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 697 | M | 23.3 | Very low | 25.8 | Very low | 164 Ų | 164 | 150 Ų | 150 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | 39.2 | 97 | 129 | -56.7 | -57.7 | -69 | 0 | 0 | 120.3 | |||||
| 698 | S | 22 | Very low | 25.5 | Very low | 93 Ų | 93 | 149.2 Ų | 149.2 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | 29.1 | 117 | 126.6 | 64.3 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 699 | K | 26.5 | Very low | 25.2 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | -174.6 | 163.6 | 129.9 | -108.6 | 166.4 | 173.1 | -164.1 | 0 | 114.4 | |||||
| 700 | E | 25.1 | Very low | 25.1 | Very low | 144 Ų | 144 | 150.4 Ų | 150.4 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | trans | 46.1 | 110.3 | 159 | -73.3 | 121.2 | -139.3 | 0 | 0 | 118.8 | ||||
| 701 | L | 23.2 | Very low | 25.1 | Very low | 142 Ų | 142 | 152.8 Ų | 152.8 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | 79.2 | 116.9 | 71 | -86.1 | 158.2 | 0 | 0 | 0 | 115.5 | |||||
| 702 | H | 24.9 | Very low | 24.8 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | trans | 52.5 | 121.6 | 160 | -64 | -27 | 0 | 0 | 0 | 117.8 | ||||
| 703 | N | 27.8 | Very low | 24.7 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | -162.8 | 152.8 | 69.1 | -95.1 | -86.2 | 0 | 0 | 0 | 113 | |||||
| 704 | K | 26.6 | Very low | 24.8 | Very low | 174 Ų | 174 | 153.3 Ų | 153.3 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | 47.4 | 123.5 | 142.1 | -60 | 176 | -175.9 | -174.8 | 0 | 119.1 | ||||
| 705 | H | 23.7 | Very low | 24.7 | Very low | 180 Ų | 180 | 153.2 Ų | 153.2 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | 47.8 | 93.6 | 68.5 | -82.6 | -59.7 | 0 | 0 | 0 | 114.5 | |||||
| 706 | E | 24.7 | Very low | 24.7 | Very low | 184 Ų | 184 | 152.4 Ų | 152.4 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | -177.8 | -174.1 | 120.5 | -95.9 | 164.5 | 150 | 0 | 0 | 108.4 | |||||
| 707 | E | 25.1 | Very low | 24.7 | Very low | 179 Ų | 179 | 152.7 Ų | 152.7 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | 64.4 | 60.2 | 179.4 | -58.8 | -172.1 | 175.5 | 0 | 0 | 116.3 | ||||
| 708 | L | 23.6 | Very low | 24.7 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -61.4 | 160.8 | 133.7 | -78.6 | 158.8 | 0 | 0 | 0 | 109.8 | ||||
| 709 | E | 23.4 | Very low | 24.8 | Very low | 192 Ų | 192 | 154.2 Ų | 154.2 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | 70 | 48.3 | 167.4 | -54.1 | -168.2 | 130 | 0 | 0 | 119.1 | ||||
| 710 | V | 26.2 | Very low | 24.8 | Very low | 110 Ų | 110 | 153.7 Ų | 153.7 | 67% | 0.667 | 80% | 0.796 | S | S | * | * | trans | -128.3 | 102.9 | 157.3 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 711 | L | 23.6 | Very low | 24.7 | Very low | 158 Ų | 158 | 155.3 Ų | 155.3 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | 51 | 118 | 150.2 | -57.8 | 174.5 | 0 | 0 | 0 | 120.1 | S713 | L711-S713 PolarHBondContact O-N 3.18Š| ||
| 712 | A | 23.5 | Very low | 24.9 | Very low | 107 Ų | 107 | 154.2 Ų | 154.2 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -73 | 115.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 713 | S | 23.5 | Very low | 24.8 | Very low | 104 Ų | 104 | 153 Ų | 153 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -174.4 | 94.3 | 154.4 | 43.7 | 0 | 0 | 0 | 0 | 113.2 | L711 | L711-S713 PolarHBondContact O-N 3.18Š| ||
| 714 | K | 27.2 | Very low | 24.9 | Very low | 190 Ų | 190 | 154.6 Ų | 154.6 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | 175.7 | 127.4 | 145.1 | -101.4 | 167.1 | -177.6 | -164.1 | 0 | 110.9 | ||||
| 715 | N | 24.8 | Very low | 25.1 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -110.4 | 123.3 | 169.8 | -76.3 | -12.5 | 0 | 0 | 0 | 108.8 | ||||
| 716 | E | 23.9 | Very low | 25.4 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -134.9 | 121.4 | 163.5 | -76 | 177.6 | -167.3 | 0 | 0 | 107.8 | ||||
| 717 | P | 26.5 | Very low | 25.7 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 130.2 | -178.8 | 32.3 | -32.5 | 0 | 0 | 0 | 111.9 | V719 | P717-V719 PolarHBondContact O-N 2.81Š|
| 718 | I | 23.9 | Very low | 25.9 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -80 | 118.5 | 179.1 | -60.6 | 172.2 | 0 | 0 | 0 | 110.2 | ||
| 719 | V | 23.4 | Very low | 26.3 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 128.7 | 174 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | P717 | P717-V719 PolarHBondContact O-N 2.81Š|
| 720 | M | 25.7 | Very low | 26.7 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | trans | -111.7 | 133.2 | 164.3 | -71.2 | -171.7 | -159.2 | 0 | 0 | 110.5 | ||||
| 721 | Q | 24.4 | Very low | 26.9 | Very low | 178 Ų | 178 | 129.4 Ų | 129.4 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -73.6 | 128.3 | -178.2 | -66.4 | 174.7 | -26.6 | 0 | 0 | 111.7 | ||||
| 722 | L | 26.6 | Very low | 27.2 | Very low | 118 Ų | 118 | 125 Ų | 125 | 62% | 0.618 | 70% | 0.696 | S | S | * | * | trans | -110.2 | 41.9 | -174.2 | -105.2 | 164.5 | 0 | 0 | 0 | 113.5 | N724 L725 | L722-N724 PolarHBondContact O-N 3.15Å; L722-L725 HydrophobicContact CD2-CD1 3.93Å; L722-L725 HydrophobicContact CD2-CD2 4.37Å | ||
| 723 | N | 23.6 | Very low | 27.4 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 81.6 | 178.3 | -67.3 | -11.3 | 0 | 0 | 0 | 111.4 | ||
| 724 | N | 28.6 | Very low | 27.7 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 87% | 0.866 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162.6 | 49 | 151.5 | -84 | -34.2 | 0 | 0 | 0 | 113.3 | L722 | L722-N724 PolarHBondContact O-N 3.15Š|
| 725 | L | 30.3 | Very low | 27.9 | Very low | 89 Ų | 89 | 118.5 Ų | 118.5 | 47% | 0.466 | 66% | 0.657 | S | S | . | * | trans | -110.5 | 145.8 | 173.7 | -106.5 | 67.5 | 0 | 0 | 0 | 112 | L722 Q730 | L722-L725 HydrophobicContact CD2-CD1 3.93Å; L722-L725 HydrophobicContact CD2-CD2 4.37Å; L725-Q730 HydrophobicContact CB-CG 4.39Å | ||
| 726 | P | 30.9 | Very low | 28.1 | Very low | 101 Ų | 101 | 115.9 Ų | 115.9 | 66% | 0.656 | 64% | 0.643 | S | S | * | * | trans | -73.6 | 146.3 | -178.6 | 29.8 | -34.1 | 0 | 0 | 0 | 112.6 | G728 S729 | P726-G728 VanDerWaalsContact C-N 3.27Å; P726-G728 PolarHBondContact O-N 2.97Å; P726-S729 PolarHBondContact O-N 3.29Å; P726-S729 PolarHBondContact O-OG 3.28Å | ||
| 727 | V | 31.7 | Very low | 28.2 | Very low | 128 Ų | 128 | 115.2 Ų | 115.2 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -50.1 | -33.4 | -161.3 | -176.2 | 0 | 0 | 0 | 0 | 115.7 | S729 | V727-S729 VanDerWaalsContact C-N 3.26Å; V727-S729 PolarHBondContact O-N 3.35Å |
| 728 | G | 28 | Very low | 28.2 | Very low | 65 Ų | 65 | 116.9 Ų | 116.9 | 67% | 0.67 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.4 | -17.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P726 | P726-G728 VanDerWaalsContact C-N 3.27Å; P726-G728 PolarHBondContact O-N 2.97Å |
| 729 | S | 33 | Very low | 28.4 | Very low | 42 Ų | 42 | 114.9 Ų | 114.9 | 29% | 0.294 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -91.7 | -29.2 | -174.7 | 60 | 0 | 0 | 0 | 0 | 114.2 | P726 V727 L732 A733 | P726-S729 PolarHBondContact O-N 3.29Å; P726-S729 PolarHBondContact O-OG 3.28Å; V727-S729 VanDerWaalsContact C-N 3.26Å; V727-S729 PolarHBondContact O-N 3.35Å; S729-L732 PolarHBondContact O-N 2.8Å; S729-A733 PolarHBondContact O-N 2.91Å |
| 730 | Q | 31.3 | Very low | 28.4 | Very low | 96 Ų | 96 | 115.2 Ų | 115.2 | 45% | 0.449 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -72.5 | -31.6 | -175 | -69.1 | 177.2 | -36 | 0 | 0 | 112.6 | L725 L732 A733 S734 | L725-Q730 HydrophobicContact CB-CG 4.39Å; Q730-L732 VanDerWaalsContact C-N 3.32Å; Q730-L732 PolarHBondContact O-N 3.5Å; Q730-A733 PolarHBondContact O-N 2.91Å; Q730-S734 PolarHBondContact O-N 2.93Å; Q730-S734 PolarHBondContact O-OG 3.4Å |
| 731 | F | 29.7 | Very low | 28.4 | Very low | 134 Ų | 134 | 111.1 Ų | 111.1 | 59% | 0.588 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.6 | -23.7 | 178.4 | -154.8 | -87.2 | 0 | 0 | 0 | 113.5 | S734 H735 | F731-S734 PolarHBondContact O-OG 3.26Å; F731-H735 PolarHBondContact O-CD2 2.77Å |
| 732 | L | 30.5 | Very low | 28.4 | Very low | 66 Ų | 66 | 111.7 Ų | 111.7 | 35% | 0.346 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -83.6 | -40.1 | 172.7 | -72.7 | 170.8 | 0 | 0 | 0 | 111 | S729 Q730 S734 H735 L736 | S729-L732 PolarHBondContact O-N 2.8Å; Q730-L732 VanDerWaalsContact C-N 3.32Å; Q730-L732 PolarHBondContact O-N 3.5Å; L732-S734 VanDerWaalsContact C-N 3.28Å; L732-S734 PolarHBondContact O-N 3.5Å; L732-H735 PolarHBondContact O-N 3.02Å; L732-L736 HydrophobicContact CB-CD1 3.92Å; L732-L736 WeakPolarHBondContact O-CB 3.33Å; L732-L736 VanDerWaalsContact O-CG 3.31Å; L732-L736 WeakPolarHBondContact O-CG 3.4Å; L732-L736 PolarHBondContact O-N 3.33Å |
| 733 | A | 27.8 | Very low | 28.3 | Very low | 62 Ų | 62 | 113.5 Ų | 113.5 | 51% | 0.512 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -59.1 | -35.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S729 Q730 H735 | S729-A733 PolarHBondContact O-N 2.91Å; Q730-A733 PolarHBondContact O-N 2.91Å; A733-H735 VanDerWaalsContact C-N 3.31Å; A733-H735 PolarHBondContact O-N 3.25Å |
| 734 | S | 30.6 | Very low | 28.4 | Very low | 81 Ų | 81 | 112.4 Ų | 112.4 | 57% | 0.566 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -15.6 | 175.9 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | Q730 F731 L732 | Q730-S734 PolarHBondContact O-N 2.93Å; Q730-S734 PolarHBondContact O-OG 3.4Å; F731-S734 PolarHBondContact O-OG 3.26Å; L732-S734 VanDerWaalsContact C-N 3.28Å; L732-S734 PolarHBondContact O-N 3.5Å |
| 735 | H | 30.4 | Very low | 28.2 | Very low | 120 Ų | 120 | 109.5 Ų | 109.5 | 56% | 0.556 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | -0.8 | -173.7 | -76.1 | -59.4 | 0 | 0 | 0 | 115.2 | F731 L732 A733 | F731-H735 PolarHBondContact O-CD2 2.77Å; L732-H735 PolarHBondContact O-N 3.02Å; A733-H735 VanDerWaalsContact C-N 3.31Å; A733-H735 PolarHBondContact O-N 3.25Å |
| 736 | L | 29 | Very low | 28 | Very low | 112 Ų | 112 | 112.8 Ų | 112.8 | 59% | 0.586 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -101.1 | -1.8 | -179.1 | -76.8 | 171.8 | 0 | 0 | 0 | 115.3 | L732 | L732-L736 HydrophobicContact CB-CD1 3.92Å; L732-L736 WeakPolarHBondContact O-CB 3.33Å; L732-L736 VanDerWaalsContact O-CG 3.31Å; L732-L736 WeakPolarHBondContact O-CG 3.4Å; L732-L736 PolarHBondContact O-N 3.33Å |
| 737 | L | 27.4 | Very low | 27.6 | Very low | 154 Ų | 154 | 113.2 Ų | 113.2 | 81% | 0.806 | 66% | 0.659 | S | S | * | * | trans | -106 | 17.2 | -167.9 | -119 | 157.2 | 0 | 0 | 0 | 115.6 | ||||
| 738 | I | 26.4 | Very low | 27.3 | Very low | 157 Ų | 157 | 114.4 Ų | 114.4 | 81% | 0.805 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -110.3 | 118.5 | 170.1 | -58.5 | 179.3 | 0 | 0 | 0 | 108.9 | ||
| 739 | P | 27.8 | Very low | 27 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 75% | 0.753 | 66% | 0.662 | S | S | * | * | trans | -65.8 | 137.5 | -177.8 | -23.5 | 34.5 | 0 | 0 | 0 | 114.3 | A741 | P739-A741 PolarHBondContact O-N 3.07Å; P739-A741 VanDerWaalsContact O-N 3.1Å | ||
| 740 | H | 23.7 | Very low | 26.6 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | trans | -71 | 98.9 | 169.9 | -106.6 | -74.7 | 0 | 0 | 0 | 111.1 | ||||
| 741 | A | 25.7 | Very low | 26.2 | Very low | 79 Ų | 79 | 126.7 Ų | 126.7 | 65% | 0.653 | 70% | 0.7 | S | S | * | * | trans | -112.5 | 150.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P739 | P739-A741 PolarHBondContact O-N 3.07Å; P739-A741 VanDerWaalsContact O-N 3.1Å | ||
| 742 | E | 23.8 | Very low | 26 | Very low | 189 Ų | 189 | 124.9 Ų | 124.9 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | trans | 51.8 | 97 | 165.9 | -62 | -177.4 | 178.4 | 0 | 0 | 118 | ||||
| 743 | L | 24.6 | Very low | 25.7 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -142.2 | 49.4 | 164.2 | -140.9 | 172 | 0 | 0 | 0 | 110.2 | ||||
| 744 | T | 25.3 | Very low | 25.6 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | trans | -148.9 | 58.3 | -176.2 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 745 | A | 25.4 | Very low | 25.3 | Very low | 100 Ų | 100 | 133 Ų | 133 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | trans | -162.4 | 150.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 746 | N | 24.2 | Very low | 24.9 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | trans | -92.7 | 152.2 | 174.2 | -67 | -44.1 | 0 | 0 | 0 | 110.7 | ||||
| 747 | S | 24 | Very low | 24.6 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | 90.2 | 152.9 | 175.3 | -34.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 748 | L | 24 | Very low | 24.5 | Very low | 153 Ų | 153 | 130 Ų | 130 | 80% | 0.801 | 69% | 0.694 | S | S | * | * | trans | 70.9 | 106.6 | -178.6 | -50.4 | 174.6 | 0 | 0 | 0 | 113.1 | ||||
| 749 | I | 23 | Very low | 24.3 | Very low | 135 Ų | 135 | 127.1 Ų | 127.1 | 69% | 0.692 | 68% | 0.677 | S | S | * | * | cis | 69.6 | 99.6 | 47.6 | -50.4 | 169.4 | 0 | 0 | 0 | 112.9 | ||||
| 750 | F | 23.3 | Very low | 24.1 | Very low | 197 Ų | 197 | 125.6 Ų | 125.6 | 86% | 0.864 | 66% | 0.663 | S | S | * | * | trans | 179.3 | 119.2 | 146.5 | -84.3 | -64.4 | 0 | 0 | 0 | 104.8 | ||||
| 751 | N | 24.3 | Very low | 24.1 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 69% | 0.69 | 65% | 0.654 | S | S | * | * | cis | 59.7 | 81.5 | 10.8 | -159.9 | 40.5 | 0 | 0 | 0 | 115.8 | ||||
| 752 | N | 25.5 | Very low | 24 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 51% | 0.513 | 66% | 0.658 | S | S | . | * | 178.8 | 122.4 | 128 | -88.5 | -24.5 | 0 | 0 | 0 | 111.7 | |||||
| 753 | N | 24.5 | Very low | 24.1 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 65% | 0.647 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 169.6 | 92.7 | 154.8 | -97 | -28.3 | 0 | 0 | 0 | 107.4 | Q755 | N753-Q755 WeakPolarHBondContact OD1-CB 3.49Š|
| 754 | Y | 23.7 | Very low | 24.1 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 58% | 0.58 | 65% | 0.651 | S | S | * | * | S | Bend | cis | -48.4 | 112.5 | 23.6 | -72.1 | -81.7 | 0 | 0 | 0 | 117.9 | Y292 | Y292-Y754 HydrophobicContact CD1-CD1 4.19Å; Y292-Y754 AromaticContact CD1-CE1 3.64Å; Y292-Y754 HydrophobicContact CD1-CE1 3.64Å; Y292-Y754 HydrophobicContact CD1-CE2 4.13Å; Y292-Y754 AromaticContact CD1-CZ 3.59Å; Y292-Y754 HydrophobicContact CE1-CD1 4.42Å; Y292-Y754 HydrophobicContact CE1-CD2 4.11Å; Y292-Y754 HydrophobicContact CE1-CE1 4.06Å; Y292-Y754 AromaticContact CE1-CE2 3.72Å; Y292-Y754 HydrophobicContact CE1-CE2 3.72Å; Y292-Y754 HydrophobicContact CE1-CG 4.44Å; Y292-Y754 AromaticContact CE1-CZ 3.68Å |
| 755 | Q | 24.8 | Very low | 24.1 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 51% | 0.509 | 66% | 0.66 | S | S | . | * | trans | -121.5 | 109.3 | 165.5 | -172.7 | 175.6 | 6.1 | 0 | 0 | 107.7 | N753 | N753-Q755 WeakPolarHBondContact OD1-CB 3.49Š| ||
| 756 | N | 22.5 | Very low | 23.9 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 46% | 0.455 | 65% | 0.652 | S | S | . | * | trans | -150.4 | 97.7 | 160.4 | -89 | -22.8 | 0 | 0 | 0 | 101 | N1172 | N756-N1172 HydrophobicContact CB-CB 4.13Š| ||
| 757 | D | 23.4 | Very low | 23.8 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 48% | 0.481 | 65% | 0.652 | S | S | . | * | S | Bend | cis | -132.8 | 154.6 | 45.3 | -88.9 | -73 | 0 | 0 | 0 | 117.2 | N1172 | D757-N1172 PolarHBondContact OD1-ND2 2.94Å; D757-N1172 PolarHBondContact OD2-ND2 3.29Å |
| 758 | F | 24 | Very low | 23.8 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 65% | 0.654 | 66% | 0.655 | S | S | * | * | 17.4 | 145.4 | 129.5 | -74.4 | -117.5 | 0 | 0 | 0 | 120.2 | |||||
| 759 | Q | 23.5 | Very low | 23.8 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 45% | 0.449 | 66% | 0.656 | S | S | . | * | cis | -175.9 | 135.9 | -15.3 | -119.7 | -170.3 | 2.5 | 0 | 0 | 108 | ||||
| 760 | L | 23.8 | Very low | 23.9 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 45% | 0.445 | 66% | 0.664 | S | S | . | * | trans | 65.7 | 159.6 | 147.3 | -53.9 | 159.7 | 0 | 0 | 0 | 116.6 | V280 | V280-L760 VanDerWaalsContact C-CD1 3.46Š| ||
| 761 | T | 23.1 | Very low | 23.9 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 46% | 0.46 | 65% | 0.652 | S | S | . | * | cis | -154 | 161.4 | -11.2 | 1.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 762 | N | 23.7 | Very low | 23.8 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 73% | 0.733 | 65% | 0.645 | S | S | * | * | trans | 43.6 | 114.8 | 153.1 | -57.9 | -27.8 | 0 | 0 | 0 | 119.2 | ||||
| 763 | K | 25.1 | Very low | 23.8 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 77% | 0.765 | 67% | 0.666 | S | S | * | * | 69.3 | 139.7 | 59 | -162.2 | -164.3 | -177.6 | -170.8 | 0 | 112.2 | |||||
| 764 | E | 24.2 | Very low | 23.8 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | trans | 75.3 | 84.7 | -177.9 | -59.8 | 172.7 | -155.7 | 0 | 0 | 115 | ||||
| 765 | D | 25.4 | Very low | 23.8 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 89% | 0.888 | 68% | 0.675 | S | S | * | * | -153.7 | 152.5 | 108.3 | -136.5 | -20.9 | 0 | 0 | 0 | 112.4 | |||||
| 766 | C | 21.4 | Very low | 23.8 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 67% | 0.669 | 68% | 0.682 | S | S | * | * | trans | -102.3 | 165.2 | 177.6 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 767 | N | 23.7 | Very low | 23.8 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 62.9 | 51.5 | 153.1 | -56.6 | -31.7 | 0 | 0 | 0 | 117.8 | ||
| 768 | K | 24 | Very low | 23.8 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | trans | -163.9 | 123.6 | 148.7 | -99.4 | 138.8 | -176.1 | 175.8 | 0 | 110.9 | ||||
| 769 | Y | 23.9 | Very low | 23.8 | Very low | 211 Ų | 211 | 140 Ų | 140 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | trans | 169.3 | 44.7 | 136.8 | -94.3 | -65.3 | 0 | 0 | 0 | 111.9 | ||||
| 770 | I | 23.8 | Very low | 23.9 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -76.1 | 140.8 | 144.2 | -68.9 | 175.1 | 0 | 0 | 0 | 106.4 | ||
| 771 | S | 24.1 | Very low | 23.9 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 74.2 | 155.3 | -175.9 | 79.7 | 0 | 0 | 0 | 0 | 116.7 | ||
| 772 | L | 22.4 | Very low | 24.2 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 53% | 0.534 | 75% | 0.753 | S | S | . | * | trans | 78.3 | 42.3 | 174.2 | -49.1 | -170.9 | 0 | 0 | 0 | 118.9 | ||||
| 773 | Y | 24.9 | Very low | 24.3 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 96% | 0.957 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -117.4 | 36.7 | 134.9 | -118.9 | -82.1 | 0 | 0 | 0 | 112.8 | ||
| 774 | N | 24.5 | Very low | 24.3 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | -136.4 | 85.3 | 162.2 | -166.4 | -0.7 | 0 | 0 | 0 | 107.4 | ||||
| 775 | N | 24.5 | Very low | 24.3 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | trans | -146.7 | 107.5 | 174.2 | -125 | -1.5 | 0 | 0 | 0 | 109.2 | ||||
| 776 | N | 23.9 | Very low | 24.2 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | trans | -60.1 | 158.2 | 170.8 | -72.1 | -69.8 | 0 | 0 | 0 | 110.7 | T778 | N776-T778 HydrophobicContact CB-CG2 4.29Å; N776-T778 PolarHBondContact O-N 3.08Å | ||
| 777 | T | 22.8 | Very low | 24.3 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 91% | 0.908 | 74% | 0.738 | S | S | * | * | trans | -66.6 | 74.4 | 162 | 40.9 | 0 | 0 | 0 | 0 | 111.1 | V779 | T777-V779 PolarHBondContact O-N 3.41Š| ||
| 778 | T | 24.1 | Very low | 24.3 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | trans | -88.6 | 99.5 | 172.3 | 40.9 | 0 | 0 | 0 | 0 | 111 | N776 N780 | N776-T778 HydrophobicContact CB-CG2 4.29Å; N776-T778 PolarHBondContact O-N 3.08Å; T778-N780 PolarHBondContact O-N 3.06Å | ||
| 779 | V | 23.8 | Very low | 24.2 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | trans | -64.1 | 123.2 | 164.3 | 170.2 | 0 | 0 | 0 | 0 | 109.1 | T777 | T777-V779 PolarHBondContact O-N 3.41Š| ||
| 780 | N | 24.8 | Very low | 24.2 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | trans | 78.7 | 115.3 | 162.7 | -64.2 | -11.2 | 0 | 0 | 0 | 120.5 | T778 | T778-N780 PolarHBondContact O-N 3.06Š| ||
| 781 | N | 24.4 | Very low | 24.2 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | 96.5 | 105.5 | 126.8 | -63.3 | -1.1 | 0 | 0 | 0 | 122.2 | |||||
| 782 | H | 28.2 | Very low | 24.6 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 70% | 0.704 | 73% | 0.726 | S | S | * | * | 79 | 119.7 | 128.3 | -73 | -53.1 | 0 | 0 | 0 | 122.8 | |||||
| 783 | N | 26.3 | Very low | 24.7 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | 49.2 | 142.9 | 121.9 | -59.7 | 57.3 | 0 | 0 | 0 | 119.9 | |||||
| 784 | D | 25.4 | Very low | 24.7 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | cis | -166.5 | 165 | -0.4 | -112.8 | -26.3 | 0 | 0 | 0 | 111.7 | ||||
| 785 | L | 24 | Very low | 24.7 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | trans | 54.2 | 108.8 | 151.1 | -98.4 | 67.7 | 0 | 0 | 0 | 123.5 | ||||
| 786 | T | 22.6 | Very low | 24.9 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | 67.4 | 138.8 | 122.1 | 55.8 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 787 | Q | 24.5 | Very low | 24.9 | Very low | 165 Ų | 165 | 128 Ų | 128 | 77% | 0.771 | 72% | 0.721 | S | S | * | * | trans | 91.1 | 118 | 145 | -80.1 | -179.4 | 29.8 | 0 | 0 | 122.7 | ||||
| 788 | Q | 22.8 | Very low | 25.3 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | 78.5 | 130.5 | 137.4 | -68.6 | -174.4 | -21.9 | 0 | 0 | 123.8 | ||||
| 789 | T | 22.5 | Very low | 25.4 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | trans | 79 | 131.8 | 143 | 40.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 790 | S | 23.2 | Very low | 25.6 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | trans | 63.7 | 110.6 | 144.5 | 56.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 791 | L | 24.4 | Very low | 26 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | 11.9 | 161.4 | 108.4 | -72.9 | 167.2 | 0 | 0 | 0 | 119.9 | |||||
| 792 | P | 31.9 | Very low | 26.2 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | cis | -142.6 | -170.6 | -12.2 | 31.4 | -6.6 | 0 | 0 | 0 | 116.6 | ||||
| 793 | E | 24.2 | Very low | 26.3 | Very low | 155 Ų | 155 | 126 Ų | 126 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | 99.3 | 150.8 | 129 | -121.7 | 175.9 | -102.1 | 0 | 0 | 125.3 | |||||
| 794 | L | 25.9 | Very low | 26.4 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | trans | 73.9 | 149 | 160.6 | -58.3 | 165.9 | 0 | 0 | 0 | 120.7 | ||||
| 795 | S | 25 | Very low | 26.3 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | cis | -179 | 151.2 | -35.9 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 796 | S | 27.7 | Very low | 26.3 | Very low | 113 Ų | 113 | 122.6 Ų | 122.6 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | 68.9 | 159.8 | 154.7 | 76.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 797 | S | 25 | Very low | 26.4 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 57% | 0.566 | 74% | 0.736 | S | S | * | * | cis | -172.8 | 166.3 | -34.2 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 798 | H | 29.6 | Very low | 26.3 | Very low | 172 Ų | 172 | 121.2 Ų | 121.2 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | trans | 71.8 | 156.3 | 166.8 | -47.3 | -61.7 | 0 | 0 | 0 | 119.5 | ||||
| 799 | S | 27 | Very low | 26.4 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | cis | -172 | 134.8 | -30.7 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 800 | S | 28.8 | Very low | 26.4 | Very low | 115 Ų | 115 | 119.4 Ų | 119.4 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | 67.1 | 172.1 | 145.4 | 90.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 801 | P | 32.8 | Very low | 26.5 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | -139.3 | 162 | -107.3 | 37.9 | -16.9 | 0 | 0 | 0 | 118.5 | |||||
| 802 | T | 28.1 | Very low | 26.5 | Very low | 142 Ų | 142 | 121.6 Ų | 121.6 | 87% | 0.871 | 72% | 0.72 | S | S | * | * | trans | -170.7 | 147.9 | 146.2 | 7.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 803 | P | 29.7 | Very low | 26.2 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -93.2 | 177.7 | 175.3 | 40.4 | -36.4 | 0 | 0 | 0 | 111.7 | ||||
| 804 | P | 29.2 | Very low | 26.3 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | cis | -135.5 | -171.2 | 9.8 | 43.9 | -27.5 | 0 | 0 | 0 | 115.9 | ||||
| 805 | S | 23.5 | Very low | 26.2 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | 83.8 | 147.8 | 151.1 | 81 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 806 | S | 24.5 | Very low | 26.2 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | trans | 87 | 101.3 | 153.5 | -45.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 807 | I | 23.3 | Very low | 26 | Very low | 152 Ų | 152 | 123.5 Ų | 123.5 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | 70.3 | 87.8 | 122.8 | -61.4 | 164.3 | 0 | 0 | 0 | 118.2 | |||||
| 808 | S | 23.3 | Very low | 26.1 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | 76.3 | 159.7 | 124 | 82 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 809 | S | 24.8 | Very low | 25.9 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | trans | 74.8 | 143.6 | 162.1 | 83.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 810 | M | 23.5 | Very low | 25.9 | Very low | 148 Ų | 148 | 124.1 Ų | 124.1 | 73% | 0.729 | 74% | 0.738 | S | S | * | * | cis | -165.1 | 128.9 | -14.9 | -120.8 | 166.1 | 62.2 | 0 | 0 | 109.2 | ||||
| 811 | Y | 24.7 | Very low | 26 | Very low | 195 Ų | 195 | 124.5 Ų | 124.5 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | 58.8 | 165.2 | 159.5 | -63.1 | -59.7 | 0 | 0 | 0 | 116.8 | ||||
| 812 | N | 25.2 | Very low | 26.1 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | cis | -149 | 160.6 | -10.4 | -125.8 | -12.1 | 0 | 0 | 0 | 108.3 | ||||
| 813 | N | 24.4 | Very low | 26.1 | Very low | 126 Ų | 126 | 123 Ų | 123 | 67% | 0.674 | 72% | 0.717 | S | S | * | * | trans | 46.1 | 133 | 150.5 | -54.8 | -5.4 | 0 | 0 | 0 | 118.9 | ||||
| 814 | D | 26.6 | Very low | 26.3 | Very low | 153 Ų | 153 | 123.2 Ų | 123.2 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | cis | -147.6 | 177 | 48.8 | -108 | -42.8 | 0 | 0 | 0 | 114.7 | ||||
| 815 | S | 24.3 | Very low | 26.6 | Very low | 97 Ų | 97 | 122.9 Ų | 122.9 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | trans | -67.5 | 137.5 | -174.4 | 58.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 816 | T | 23.7 | Very low | 27.2 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | 178.6 | 149 | 121.1 | 25.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 817 | I | 24.9 | Very low | 27.8 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 71% | 0.708 | 69% | 0.694 | S | S | * | * | trans | 48 | 109.7 | 146.6 | -54.9 | 163.2 | 0 | 0 | 0 | 118.6 | ||||
| 818 | N | 26.3 | Very low | 28.4 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 78% | 0.781 | 68% | 0.681 | S | S | * | * | 179.7 | 137.9 | 116.6 | -98.8 | -53.8 | 0 | 0 | 0 | 112.8 | |||||
| 819 | S | 25.6 | Very low | 28.9 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 87% | 0.867 | 66% | 0.662 | S | S | * | * | trans | -117.4 | 68.5 | -176.7 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 820 | S | 26.5 | Very low | 29.6 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 63% | 0.629 | 65% | 0.645 | S | S | * | * | trans | -157.5 | 67.2 | -172.8 | 61.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 821 | N | 31.2 | Very low | 30.5 | Very low | 122 Ų | 122 | 115.7 Ų | 115.7 | 65% | 0.652 | 63% | 0.63 | S | S | * | * | trans | -145.2 | -14.5 | 173.5 | -97 | -29.5 | 0 | 0 | 0 | 116.9 | M823 L824 | N821-M823 PolarHBondContact O-N 2.98Å; N821-L824 PolarHBondContact O-N 3.32Å | ||
| 822 | S | 36 | Very low | 31.5 | Very low | 97 Ų | 97 | 113.3 Ų | 113.3 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -57.1 | -22.5 | -170.8 | 52.8 | 0 | 0 | 0 | 0 | 116 | W826 | S822-W826 WeakPolarHBondContact O-CB 3.44Å; S822-W826 PolarHBondContact O-N 3.15Å; S822-W826 VanDerWaalsContact O-N 3.08Å |
| 823 | M | 28 | Very low | 32.1 | Very low | 125 Ų | 125 | 109.1 Ų | 109.1 | 62% | 0.616 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.5 | -29.4 | 177.3 | -175.6 | 173.3 | 159.4 | 0 | 0 | 113.1 | N821 L827 | N821-M823 PolarHBondContact O-N 2.98Å; M823-L827 HydrophobicContact CE-CD1 4.1Å; M823-L827 HydrophobicContact CG-CD1 4.18Å; M823-L827 WeakPolarHBondContact O-CB 3.35Å; M823-L827 VanDerWaalsContact O-CG 3.28Å; M823-L827 WeakPolarHBondContact O-CG 3.42Å; M823-L827 PolarHBondContact O-N 3.35Å; M823-L827 VanDerWaalsContact O-N 3.09Å |
| 824 | L | 34 | Very low | 32.9 | Very low | 123 Ų | 123 | 109.4 Ų | 109.4 | 64% | 0.644 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -78.1 | -40.2 | 178 | -124.3 | 71.4 | 0 | 0 | 0 | 111.5 | N821 W826 L827 S828 | N821-L824 PolarHBondContact O-N 3.32Å; L824-W826 VanDerWaalsContact C-N 3.34Å; L824-L827 PolarHBondContact O-N 3.24Å; L824-S828 WeakPolarHBondContact O-CB 3.43Å; L824-S828 PolarHBondContact O-N 3.4Å; L824-S828 PolarHBondContact O-OG 3.07Å; L824-S828 VanDerWaalsContact O-OG 3.13Å |
| 825 | D | 34.3 | Very low | 33.7 | Very low | 105 Ų | 105 | 107.7 Ų | 107.7 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.8 | -45.3 | 173.2 | -58.7 | -36.4 | 0 | 0 | 0 | 110.2 | L827 S828 Y829 | D825-L827 PolarHBondContact O-N 2.91Å; D825-S828 PolarHBondContact O-N 2.58Å; D825-S828 PolarHBondContact O-OG 2.97Å; D825-Y829 VanDerWaalsContact O-CB 3.28Å; D825-Y829 WeakPolarHBondContact O-CB 3.45Å; D825-Y829 PolarHBondContact O-N 2.95Å |
| 826 | W | 36.7 | Very low | 34.6 | Very low | 186 Ų | 186 | 104.2 Ų | 104.2 | 71% | 0.705 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.2 | -41.2 | 177 | -170.3 | 11.1 | 0 | 0 | 0 | 113.3 | S822 L824 T830 | S822-W826 WeakPolarHBondContact O-CB 3.44Å; S822-W826 PolarHBondContact O-N 3.15Å; S822-W826 VanDerWaalsContact O-N 3.08Å; L824-W826 VanDerWaalsContact C-N 3.34Å; W826-T830 WeakPolarHBondContact O-CB 3.49Å; W826-T830 WeakPolarHBondContact O-CG2 3.18Å; W826-T830 PolarHBondContact O-N 3.33Å; W826-T830 PolarHBondContact O-OG1 3.28Å |
| 827 | L | 36.1 | Very low | 35.5 | Very low | 99 Ų | 99 | 102.6 Ų | 102.6 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.5 | -36.5 | 176.8 | -77.6 | 169.4 | 0 | 0 | 0 | 112.8 | M823 L824 D825 T830 S831 | M823-L827 HydrophobicContact CE-CD1 4.1Å; M823-L827 HydrophobicContact CG-CD1 4.18Å; M823-L827 WeakPolarHBondContact O-CB 3.35Å; M823-L827 VanDerWaalsContact O-CG 3.28Å; M823-L827 WeakPolarHBondContact O-CG 3.42Å; M823-L827 PolarHBondContact O-N 3.35Å; M823-L827 VanDerWaalsContact O-N 3.09Å; L824-L827 PolarHBondContact O-N 3.24Å; D825-L827 PolarHBondContact O-N 2.91Å; L827-T830 WeakPolarHBondContact CA-OG1 3.45Å; L827-T830 PolarHBondContact O-OG1 2.84Å; L827-S831 VanDerWaalsContact O-CB 3.27Å; L827-S831 WeakPolarHBondContact O-CB 3.46Å; L827-S831 PolarHBondContact O-N 3.45Å; L827-S831 VanDerWaalsContact O-N 3.12Å |
| 828 | S | 36.2 | Very low | 36.4 | Very low | 72 Ų | 72 | 103.7 Ų | 103.7 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.2 | -40.7 | 174.9 | 66.3 | 0 | 0 | 0 | 0 | 112 | L824 D825 S831 W832 | L824-S828 WeakPolarHBondContact O-CB 3.43Å; L824-S828 PolarHBondContact O-N 3.4Å; L824-S828 PolarHBondContact O-OG 3.07Å; L824-S828 VanDerWaalsContact O-OG 3.13Å; D825-S828 PolarHBondContact O-N 2.58Å; D825-S828 PolarHBondContact O-OG 2.97Å; S828-S831 PolarHBondContact O-N 3.36Å; S828-W832 WeakPolarHBondContact O-CB 3.46Å; S828-W832 PolarHBondContact O-N 2.84Å |
| 829 | Y | 34.4 | Very low | 37.3 | Very low | 74 Ų | 74 | 102 Ų | 102 | 29% | 0.29 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 176.6 | -170.6 | -103.3 | 0 | 0 | 0 | 112.7 | D825 S831 W832 A833 D892 | D825-Y829 VanDerWaalsContact O-CB 3.28Å; D825-Y829 WeakPolarHBondContact O-CB 3.45Å; D825-Y829 PolarHBondContact O-N 2.95Å; Y829-S831 PolarHBondContact O-N 3.19Å; Y829-W832 HydrophobicContact CD2-CE3 4.2Å; Y829-W832 AromaticContact CE2-CE3 3.97Å; Y829-W832 HydrophobicContact CE2-CE3 3.97Å; Y829-W832 AromaticContact CE2-CZ3 3.88Å; Y829-W832 HydrophobicContact CE2-CZ3 3.88Å; Y829-W832 PolarHBondContact O-N 3.08Å; Y829-A833 WeakPolarHBondContact O-CB 3.29Å; Y829-A833 PolarHBondContact O-N 3.22Å; Y829-D892 WeakPolarHBondContact CE1-OD1 3.49Å; Y829-D892 PolarHBondContact OH-OD1 3.24Å |
| 830 | T | 38.9 | Very low | 37.9 | Very low | 59 Ų | 59 | 101 Ų | 101 | 36% | 0.362 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 176.1 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | W826 L827 H834 | W826-T830 WeakPolarHBondContact O-CB 3.49Å; W826-T830 WeakPolarHBondContact O-CG2 3.18Å; W826-T830 PolarHBondContact O-N 3.33Å; W826-T830 PolarHBondContact O-OG1 3.28Å; L827-T830 WeakPolarHBondContact CA-OG1 3.45Å; L827-T830 PolarHBondContact O-OG1 2.84Å; T830-H834 WeakPolarHBondContact O-CB 3.39Å; T830-H834 PolarHBondContact O-N 3.45Å |
| 831 | S | 42.8 | Very low | 38.7 | Very low | 59 Ų | 59 | 101.1 Ų | 101.1 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 172.8 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | L827 S828 Y829 H834 Q835 | L827-S831 VanDerWaalsContact O-CB 3.27Å; L827-S831 WeakPolarHBondContact O-CB 3.46Å; L827-S831 PolarHBondContact O-N 3.45Å; L827-S831 VanDerWaalsContact O-N 3.12Å; S828-S831 PolarHBondContact O-N 3.36Å; Y829-S831 PolarHBondContact O-N 3.19Å; S831-H834 PolarHBondContact O-N 3.16Å; S831-Q835 WeakPolarHBondContact O-CG 3.31Å; S831-Q835 PolarHBondContact O-N 3.22Å |
| 832 | W | 45.7 | Very low | 39.5 | Very low | 145 Ų | 145 | 101.5 Ų | 101.5 | 55% | 0.549 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 177 | 174.1 | 79 | 0 | 0 | 0 | 112.6 | S828 Y829 Q835 T836 | S828-W832 WeakPolarHBondContact O-CB 3.46Å; S828-W832 PolarHBondContact O-N 2.84Å; Y829-W832 HydrophobicContact CD2-CE3 4.2Å; Y829-W832 AromaticContact CE2-CE3 3.97Å; Y829-W832 HydrophobicContact CE2-CE3 3.97Å; Y829-W832 AromaticContact CE2-CZ3 3.88Å; Y829-W832 HydrophobicContact CE2-CZ3 3.88Å; Y829-W832 PolarHBondContact O-N 3.08Å; W832-Q835 PolarHBondContact O-N 3.21Å; W832-T836 VanDerWaalsContact O-CB 3.27Å; W832-T836 WeakPolarHBondContact O-CB 3.48Å; W832-T836 PolarHBondContact O-N 3.09Å; W832-T836 PolarHBondContact O-OG1 2.92Å |
| 833 | A | 37.2 | Very low | 39.7 | Very low | 28 Ų | 28 | 99 Ų | 99 | 23% | 0.231 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y829 Q835 T836 I837 | Y829-A833 WeakPolarHBondContact O-CB 3.29Å; Y829-A833 PolarHBondContact O-N 3.22Å; A833-Q835 PolarHBondContact O-N 3.27Å; A833-T836 PolarHBondContact O-N 3.44Å; A833-I837 WeakPolarHBondContact O-CG1 3.32Å; A833-I837 PolarHBondContact O-N 3.25Å |
| 834 | H | 42.2 | Very low | 40.3 | Very low | 132 Ų | 132 | 95.5 Ų | 95.5 | 61% | 0.611 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.8 | -44.8 | 177.2 | -125.6 | 131.6 | 0 | 0 | 0 | 112 | T830 S831 K838 | T830-H834 WeakPolarHBondContact O-CB 3.39Å; T830-H834 PolarHBondContact O-N 3.45Å; S831-H834 PolarHBondContact O-N 3.16Å; H834-K838 VanDerWaalsContact O-CB 3.26Å; H834-K838 WeakPolarHBondContact O-CB 3.41Å; H834-K838 PolarHBondContact O-N 3.34Å |
| 835 | Q | 43.2 | Very low | 40.6 | Very low | 116 Ų | 116 | 95.8 Ų | 95.8 | 54% | 0.542 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.7 | -72.6 | -177.5 | 9.2 | 0 | 0 | 111.5 | S831 W832 A833 K838 I839 | S831-Q835 WeakPolarHBondContact O-CG 3.31Å; S831-Q835 PolarHBondContact O-N 3.22Å; W832-Q835 PolarHBondContact O-N 3.21Å; A833-Q835 PolarHBondContact O-N 3.27Å; Q835-K838 PolarHBondContact O-N 3.42Å; Q835-I839 WeakPolarHBondContact O-CB 3.35Å; Q835-I839 WeakPolarHBondContact O-CD1 3.44Å; Q835-I839 VanDerWaalsContact O-CG1 3.22Å; Q835-I839 WeakPolarHBondContact O-CG1 3.46Å; Q835-I839 PolarHBondContact O-N 2.96Å |
| 836 | T | 41.9 | Very low | 41 | Very low | 25 Ų | 25 | 93.2 Ų | 93.2 | 15% | 0.153 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | -179.9 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | W832 A833 R840 | W832-T836 VanDerWaalsContact O-CB 3.27Å; W832-T836 WeakPolarHBondContact O-CB 3.48Å; W832-T836 PolarHBondContact O-N 3.09Å; W832-T836 PolarHBondContact O-OG1 2.92Å; A833-T836 PolarHBondContact O-N 3.44Å; T836-R840 WeakPolarHBondContact O-CB 3.46Å; T836-R840 VanDerWaalsContact O-CG 3.3Å; T836-R840 WeakPolarHBondContact O-CG 3.36Å; T836-R840 PolarHBondContact O-N 2.7Å |
| 837 | I | 42.7 | Very low | 41 | Very low | 90 Ų | 90 | 91 Ų | 91 | 46% | 0.462 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 173.2 | -67.5 | 166.1 | 0 | 0 | 0 | 110.5 | A833 I839 R840 K841 | A833-I837 WeakPolarHBondContact O-CG1 3.32Å; A833-I837 PolarHBondContact O-N 3.25Å; I837-I839 PolarHBondContact O-N 2.91Å; I837-R840 PolarHBondContact O-N 3.2Å; I837-K841 WeakPolarHBondContact O-CB 3.34Å; I837-K841 PolarHBondContact O-N 3.16Å |
| 838 | K | 44.8 | Very low | 41.1 | Very low | 161 Ų | 161 | 91.1 Ų | 91.1 | 70% | 0.7 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.4 | -38.7 | 179.4 | -160.3 | 167.3 | -171.1 | 170.5 | 0 | 112.2 | H834 Q835 H842 | H834-K838 VanDerWaalsContact O-CB 3.26Å; H834-K838 WeakPolarHBondContact O-CB 3.41Å; H834-K838 PolarHBondContact O-N 3.34Å; Q835-K838 PolarHBondContact O-N 3.42Å; K838-H842 WeakPolarHBondContact O-CB 3.47Å; K838-H842 PolarHBondContact O-N 2.99Å |
| 839 | I | 44.4 | Very low | 41.3 | Very low | 111 Ų | 111 | 93.8 Ų | 93.8 | 57% | 0.569 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.1 | -44 | 172.8 | -70.3 | 163.8 | 0 | 0 | 0 | 110.7 | Q835 I837 H842 A843 | Q835-I839 WeakPolarHBondContact O-CB 3.35Å; Q835-I839 WeakPolarHBondContact O-CD1 3.44Å; Q835-I839 VanDerWaalsContact O-CG1 3.22Å; Q835-I839 WeakPolarHBondContact O-CG1 3.46Å; Q835-I839 PolarHBondContact O-N 2.96Å; I837-I839 PolarHBondContact O-N 2.91Å; I839-H842 PolarHBondContact O-N 3.26Å; I839-A843 VanDerWaalsContact O-CB 3.29Å; I839-A843 WeakPolarHBondContact O-CB 3.47Å; I839-A843 PolarHBondContact O-N 2.92Å |
| 840 | R | 39.5 | Very low | 41.3 | Very low | 102 Ų | 102 | 95 Ų | 95 | 39% | 0.385 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 176.7 | -74.8 | 172.5 | 176.4 | 161.8 | -2.2 | 112.2 | T836 I837 H842 A843 C844 | T836-R840 WeakPolarHBondContact O-CB 3.46Å; T836-R840 VanDerWaalsContact O-CG 3.3Å; T836-R840 WeakPolarHBondContact O-CG 3.36Å; T836-R840 PolarHBondContact O-N 2.7Å; I837-R840 PolarHBondContact O-N 3.2Å; R840-H842 VanDerWaalsContact C-N 3.34Å; R840-H842 PolarHBondContact O-N 3.47Å; R840-A843 PolarHBondContact O-N 3.16Å; R840-C844 PolarHBondContact O-N 3.38Å; R840-C844 PolarHBondContact O-SG 2.8Å; R840-C844 VanDerWaalsContact O-SG 3.33Å |
| 841 | K | 43.4 | Very low | 41.1 | Very low | 92 Ų | 92 | 96.4 Ų | 96.4 | 40% | 0.4 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 174.9 | -168.8 | 162.2 | -172.1 | 162.3 | 0 | 111.5 | I837 K845 I941 D942 | I837-K841 WeakPolarHBondContact O-CB 3.34Å; I837-K841 PolarHBondContact O-N 3.16Å; K841-K845 WeakPolarHBondContact O-CB 3.39Å; K841-K845 PolarHBondContact O-N 3Å; K841-K845 VanDerWaalsContact O-N 3.09Å; K841-I941 HydrophobicContact CB-CD1 4.47Å; K841-D942 IonicContact NZ-OD1 2.66Å |
| 842 | H | 46.2 | Very low | 41 | Very low | 131 Ų | 131 | 100.4 Ų | 100.4 | 61% | 0.606 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.1 | -48.2 | 171.3 | -171.2 | -66.7 | 0 | 0 | 0 | 111.7 | K838 I839 R840 C844 K845 T846 | K838-H842 WeakPolarHBondContact O-CB 3.47Å; K838-H842 PolarHBondContact O-N 2.99Å; I839-H842 PolarHBondContact O-N 3.26Å; R840-H842 VanDerWaalsContact C-N 3.34Å; R840-H842 PolarHBondContact O-N 3.47Å; H842-C844 PolarHBondContact O-N 3.23Å; H842-K845 PolarHBondContact O-N 3.41Å; H842-T846 PolarHBondContact CE1-OG1 3.38Å; H842-T846 PolarHBondContact ND1-OG1 3.34Å; H842-T846 VanDerWaalsContact ND1-OG1 3.08Å; H842-T846 WeakPolarHBondContact O-CB 3.45Å; H842-T846 PolarHBondContact O-N 2.88Å; H842-T846 PolarHBondContact O-OG1 3.45Å |
| 843 | A | 41.4 | Very low | 40.4 | Very low | 43 Ų | 43 | 96.2 Ų | 96.2 | 36% | 0.355 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I839 R840 T846 W847 | I839-A843 VanDerWaalsContact O-CB 3.29Å; I839-A843 WeakPolarHBondContact O-CB 3.47Å; I839-A843 PolarHBondContact O-N 2.92Å; R840-A843 PolarHBondContact O-N 3.16Å; A843-T846 PolarHBondContact O-N 2.73Å; A843-W847 WeakPolarHBondContact O-CB 3.43Å; A843-W847 VanDerWaalsContact O-CD1 3.26Å; A843-W847 PolarHBondContact O-N 2.78Å |
| 844 | C | 39.5 | Very low | 40.2 | Very low | 52 Ų | 52 | 101.9 Ų | 101.9 | 35% | 0.351 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 173.9 | -67.6 | 0 | 0 | 0 | 0 | 111.6 | R840 H842 T846 W847 Q848 | R840-C844 PolarHBondContact O-N 3.38Å; R840-C844 PolarHBondContact O-SG 2.8Å; R840-C844 VanDerWaalsContact O-SG 3.33Å; H842-C844 PolarHBondContact O-N 3.23Å; C844-T846 PolarHBondContact O-N 3.35Å; C844-W847 PolarHBondContact O-N 2.82Å; C844-Q848 WeakPolarHBondContact O-CB 3.25Å; C844-Q848 PolarHBondContact O-N 3.37Å |
| 845 | K | 41.9 | Very low | 40 | Very low | 129 Ų | 129 | 104.3 Ų | 104.3 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.1 | -34 | 179.3 | -156.5 | 163.7 | -166.9 | 164.1 | 0 | 112.7 | K841 H842 L849 | K841-K845 WeakPolarHBondContact O-CB 3.39Å; K841-K845 PolarHBondContact O-N 3Å; K841-K845 VanDerWaalsContact O-N 3.09Å; H842-K845 PolarHBondContact O-N 3.41Å; K845-L849 WeakPolarHBondContact O-CB 3.35Å; K845-L849 WeakPolarHBondContact O-CD1 3.27Å; K845-L849 VanDerWaalsContact O-CG 3.26Å; K845-L849 WeakPolarHBondContact O-CG 3.4Å; K845-L849 PolarHBondContact O-N 3.4Å; K845-L849 VanDerWaalsContact O-N 3.12Å |
| 846 | T | 41 | Very low | 39.7 | Very low | 52 Ų | 52 | 101.9 Ų | 101.9 | 32% | 0.319 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 170.1 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | H842 A843 C844 L849 I850 | H842-T846 PolarHBondContact CE1-OG1 3.38Å; H842-T846 PolarHBondContact ND1-OG1 3.34Å; H842-T846 VanDerWaalsContact ND1-OG1 3.08Å; H842-T846 WeakPolarHBondContact O-CB 3.45Å; H842-T846 PolarHBondContact O-N 2.88Å; H842-T846 PolarHBondContact O-OG1 3.45Å; A843-T846 PolarHBondContact O-N 2.73Å; C844-T846 PolarHBondContact O-N 3.35Å; T846-L849 PolarHBondContact O-N 3.27Å; T846-I850 HydrophobicContact CG2-CD1 3.84Å; T846-I850 WeakPolarHBondContact O-CB 3.17Å; T846-I850 VanDerWaalsContact O-CG1 3.25Å; T846-I850 WeakPolarHBondContact O-CG1 3.05Å; T846-I850 PolarHBondContact O-N 3.43Å |
| 847 | W | 36.9 | Very low | 39.7 | Very low | 138 Ų | 138 | 104 Ų | 104 | 52% | 0.523 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.7 | -88.5 | 44.8 | 0 | 0 | 0 | 111.9 | A843 C844 I850 F851 L864 L932 | A843-W847 WeakPolarHBondContact O-CB 3.43Å; A843-W847 VanDerWaalsContact O-CD1 3.26Å; A843-W847 PolarHBondContact O-N 2.78Å; C844-W847 PolarHBondContact O-N 2.82Å; W847-I850 PolarHBondContact O-N 3.16Å; W847-I850 VanDerWaalsContact O-N 3.12Å; W847-F851 WeakPolarHBondContact O-CB 2.95Å; W847-F851 PolarHBondContact O-N 3Å; W847-L864 HydrophobicContact CH2-CD1 4.27Å; W847-L864 HydrophobicContact CZ2-CD1 4.17Å; W847-L932 HydrophobicContact CZ3-CD2 4.41Å |
| 848 | Q | 39.4 | Very low | 39.5 | Very low | 102 Ų | 102 | 103.9 Ų | 103.9 | 48% | 0.477 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 176.4 | -163.2 | 172.6 | 26.6 | 0 | 0 | 111.2 | C844 I850 F851 D852 | C844-Q848 WeakPolarHBondContact O-CB 3.25Å; C844-Q848 PolarHBondContact O-N 3.37Å; Q848-I850 PolarHBondContact O-N 3.05Å; Q848-F851 PolarHBondContact O-N 2.96Å; Q848-D852 PolarHBondContact O-N 2.74Å; Q848-D852 VanDerWaalsContact O-N 3.14Å |
| 849 | L | 39.4 | Very low | 39.5 | Very low | 129 Ų | 129 | 103.5 Ų | 103.5 | 68% | 0.675 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.7 | -21 | 174.6 | -72.4 | 168.9 | 0 | 0 | 0 | 114.5 | K845 T846 | K845-L849 WeakPolarHBondContact O-CB 3.35Å; K845-L849 WeakPolarHBondContact O-CD1 3.27Å; K845-L849 VanDerWaalsContact O-CG 3.26Å; K845-L849 WeakPolarHBondContact O-CG 3.4Å; K845-L849 PolarHBondContact O-N 3.4Å; K845-L849 VanDerWaalsContact O-N 3.12Å; T846-L849 PolarHBondContact O-N 3.27Å |
| 850 | I | 36.1 | Very low | 39.4 | Very low | 100 Ų | 100 | 103 Ų | 103 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -84.9 | -38.7 | 173.8 | -73.1 | 167.2 | 0 | 0 | 0 | 111 | T846 W847 Q848 A853 | T846-I850 HydrophobicContact CG2-CD1 3.84Å; T846-I850 WeakPolarHBondContact O-CB 3.17Å; T846-I850 VanDerWaalsContact O-CG1 3.25Å; T846-I850 WeakPolarHBondContact O-CG1 3.05Å; T846-I850 PolarHBondContact O-N 3.43Å; W847-I850 PolarHBondContact O-N 3.16Å; W847-I850 VanDerWaalsContact O-N 3.12Å; Q848-I850 PolarHBondContact O-N 3.05Å; I850-A853 PolarHBondContact O-N 2.68Å |
| 851 | F | 33.9 | Very low | 39.5 | Very low | 88 Ų | 88 | 101.1 Ų | 101.1 | 39% | 0.386 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -80.3 | -28.4 | -172.6 | -140 | -92 | 0 | 0 | 0 | 113.7 | W847 Q848 A853 A929 | W847-F851 WeakPolarHBondContact O-CB 2.95Å; W847-F851 PolarHBondContact O-N 3Å; Q848-F851 PolarHBondContact O-N 2.96Å; F851-A853 PolarHBondContact O-N 3.08Å; F851-A929 HydrophobicContact CZ-CB 4.26Å |
| 852 | D | 40 | Very low | 39.7 | Very low | 142 Ų | 142 | 101.5 Ų | 101.5 | 76% | 0.759 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -0.3 | 171.8 | -74.3 | -29.4 | 0 | 0 | 0 | 113 | Q848 | Q848-D852 PolarHBondContact O-N 2.74Å; Q848-D852 VanDerWaalsContact O-N 3.14Å |
| 853 | A | 33.1 | Very low | 39.5 | Very low | 57 Ų | 57 | 99.9 Ų | 99.9 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -126.3 | 65.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I850 F851 | I850-A853 PolarHBondContact O-N 2.68Å; F851-A853 PolarHBondContact O-N 3.08Å |
| 854 | N | 32.8 | Very low | 39.2 | Very low | 148 Ų | 148 | 101.2 Ų | 101.2 | 79% | 0.791 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 81.5 | 161.3 | 175 | -46.4 | -79.8 | 0 | 0 | 0 | 116.1 | ||
| 855 | Q | 39.6 | Very low | 39.4 | Very low | 182 Ų | 182 | 102.6 Ų | 102.6 | 85% | 0.85 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 134.4 | -177.7 | -67.3 | 177.4 | -22.5 | 0 | 0 | 111.8 | T857 | Q855-T857 PolarHBondContact O-N 3.28Š|
| 856 | P | 35.9 | Very low | 39.6 | Very low | 66 Ų | 66 | 102 Ų | 102 | 43% | 0.429 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 134.6 | 178 | 27.3 | -34.1 | 0 | 0 | 0 | 111.1 | Q860 | P856-Q860 VanDerWaalsContact CA-OE1 3.27Š|
| 857 | T | 41.2 | Very low | 39.3 | Very low | 69 Ų | 69 | 103.5 Ų | 103.5 | 42% | 0.423 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 156.9 | 179.2 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | Q855 E859 Q860 I861 | Q855-T857 PolarHBondContact O-N 3.28Å; T857-E859 PolarHBondContact O-N 3.06Å; T857-Q860 WeakPolarHBondContact O-CB 3.33Å; T857-Q860 PolarHBondContact O-N 2.88Å; T857-Q860 WeakPolarHBondContact OG1-CG 3.45Å; T857-I861 PolarHBondContact O-N 3.29Å; T857-I861 VanDerWaalsContact O-N 3.13Å |
| 858 | S | 39.6 | Very low | 39.2 | Very low | 87 Ų | 87 | 101 Ų | 101 | 61% | 0.608 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.7 | -29.6 | 175.6 | 48.6 | 0 | 0 | 0 | 0 | 113 | I861 N862 | S858-I861 PolarHBondContact O-N 3.25Å; S858-N862 WeakPolarHBondContact O-CB 3.48Å; S858-N862 VanDerWaalsContact O-CG 3.22Å; S858-N862 PolarHBondContact O-N 3.28Å; S858-N862 PolarHBondContact O-ND2 3.17Å |
| 859 | E | 44.2 | Very low | 39.2 | Very low | 153 Ų | 153 | 103.1 Ų | 103.1 | 72% | 0.715 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.8 | -38.9 | 172.9 | -64.6 | -177.9 | 147.8 | 0 | 0 | 112.4 | T857 N862 L863 | T857-E859 PolarHBondContact O-N 3.06Å; E859-N862 PolarHBondContact O-N 2.9Å; E859-L863 VanDerWaalsContact O-CB 3.3Å; E859-L863 WeakPolarHBondContact O-CB 3.47Å; E859-L863 PolarHBondContact O-N 3.31Å |
| 860 | Q | 41.7 | Very low | 39.1 | Very low | 102 Ų | 102 | 102.8 Ų | 102.8 | 48% | 0.477 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.5 | -36.6 | 175.7 | -69 | 167.8 | -27.1 | 0 | 0 | 111.8 | P856 T857 L863 L864 | P856-Q860 VanDerWaalsContact CA-OE1 3.27Å; T857-Q860 WeakPolarHBondContact O-CB 3.33Å; T857-Q860 PolarHBondContact O-N 2.88Å; T857-Q860 WeakPolarHBondContact OG1-CG 3.45Å; Q860-L863 PolarHBondContact O-N 3.1Å; Q860-L864 WeakPolarHBondContact O-CB 3.28Å; Q860-L864 PolarHBondContact O-N 3.19Å |
| 861 | I | 43.3 | Very low | 38.7 | Very low | 61 Ų | 61 | 104.5 Ų | 104.5 | 31% | 0.313 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 173.7 | -62.2 | 171.7 | 0 | 0 | 0 | 110.6 | T857 S858 L864 N865 | T857-I861 PolarHBondContact O-N 3.29Å; T857-I861 VanDerWaalsContact O-N 3.13Å; S858-I861 PolarHBondContact O-N 3.25Å; I861-L864 PolarHBondContact O-N 2.76Å; I861-N865 PolarHBondContact O-N 2.93Å; I861-N865 PolarHBondContact O-ND2 3.37Å; I861-N865 VanDerWaalsContact O-ND2 3.1Å |
| 862 | N | 47.6 | Very low | 38.4 | Very low | 101 Ų | 101 | 107.6 Ų | 107.6 | 54% | 0.54 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.8 | -39.2 | 173.8 | -73.8 | -22.8 | 0 | 0 | 0 | 112.1 | S858 E859 N865 E866 | S858-N862 WeakPolarHBondContact O-CB 3.48Å; S858-N862 VanDerWaalsContact O-CG 3.22Å; S858-N862 PolarHBondContact O-N 3.28Å; S858-N862 PolarHBondContact O-ND2 3.17Å; E859-N862 PolarHBondContact O-N 2.9Å; N862-N865 CarbonylContact O-C 3.58Å; N862-N865 PolarHBondContact O-N 2.88Å; N862-E866 PolarHBondContact O-N 3.5Å |
| 863 | L | 42 | Very low | 37.9 | Very low | 97 Ų | 97 | 107.2 Ų | 107.2 | 51% | 0.508 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67 | -34.7 | 175.3 | -171.5 | 67.5 | 0 | 0 | 0 | 112 | E859 Q860 E866 N867 | E859-L863 VanDerWaalsContact O-CB 3.3Å; E859-L863 WeakPolarHBondContact O-CB 3.47Å; E859-L863 PolarHBondContact O-N 3.31Å; Q860-L863 PolarHBondContact O-N 3.1Å; L863-E866 PolarHBondContact O-N 2.84Å; L863-N867 WeakPolarHBondContact O-CB 3.44Å; L863-N867 PolarHBondContact O-N 3.13Å; L863-N867 PolarHBondContact O-ND2 2.93Å |
| 864 | L | 33.7 | Very low | 37.9 | Very low | 71 Ų | 71 | 107.8 Ų | 107.8 | 37% | 0.372 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63 | -44.9 | 170.7 | -170.8 | 75.2 | 0 | 0 | 0 | 110.8 | W847 Q860 I861 N867 L868 | W847-L864 HydrophobicContact CH2-CD1 4.27Å; W847-L864 HydrophobicContact CZ2-CD1 4.17Å; Q860-L864 WeakPolarHBondContact O-CB 3.28Å; Q860-L864 PolarHBondContact O-N 3.19Å; I861-L864 PolarHBondContact O-N 2.76Å; L864-N867 PolarHBondContact O-N 3.49Å; L864-L868 HydrophobicContact CG-CD1 4.25Å; L864-L868 WeakPolarHBondContact O-CB 3.36Å; L864-L868 WeakPolarHBondContact O-CG 3.28Å; L864-L868 PolarHBondContact O-N 3.38Å |
| 865 | N | 44.2 | Very low | 37.9 | Very low | 81 Ų | 81 | 107.7 Ų | 107.7 | 43% | 0.433 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.3 | -33.3 | 176.8 | -74.9 | -43.9 | 0 | 0 | 0 | 113.3 | I861 N862 K869 | I861-N865 PolarHBondContact O-N 2.93Å; I861-N865 PolarHBondContact O-ND2 3.37Å; I861-N865 VanDerWaalsContact O-ND2 3.1Å; N862-N865 CarbonylContact O-C 3.58Å; N862-N865 PolarHBondContact O-N 2.88Å; N865-K869 PolarHBondContact O-N 3.37Å |
| 866 | E | 46.3 | Very low | 37.8 | Very low | 116 Ų | 116 | 106.8 Ų | 106.8 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 169.7 | -80 | -157.3 | 130.3 | 0 | 0 | 111.8 | N862 L863 L868 K869 N870 | N862-E866 PolarHBondContact O-N 3.5Å; L863-E866 PolarHBondContact O-N 2.84Å; E866-L868 VanDerWaalsContact C-N 3.33Å; E866-L868 PolarHBondContact O-N 2.99Å; E866-K869 CarbonylContact O-C 3.55Å; E866-K869 WeakPolarHBondContact O-CA 3.4Å; E866-K869 WeakPolarHBondContact O-CB 3.47Å; E866-K869 PolarHBondContact O-N 3.39Å; E866-K869 VanDerWaalsContact O-N 3.08Å; E866-N870 WeakPolarHBondContact O-CB 3.44Å; E866-N870 PolarHBondContact O-N 3.09Å; E866-N870 PolarHBondContact O-ND2 2.93Å |
| 867 | N | 34.8 | Very low | 37.8 | Very low | 83 Ų | 83 | 107.8 Ų | 107.8 | 44% | 0.444 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 177.7 | -75.1 | -55.4 | 0 | 0 | 0 | 112.4 | L863 L864 K869 N870 L871 | L863-N867 WeakPolarHBondContact O-CB 3.44Å; L863-N867 PolarHBondContact O-N 3.13Å; L863-N867 PolarHBondContact O-ND2 2.93Å; L864-N867 PolarHBondContact O-N 3.49Å; N867-K869 VanDerWaalsContact C-N 3.34Å; N867-N870 PolarHBondContact O-N 2.75Å; N867-L871 WeakPolarHBondContact O-CG 3.44Å; N867-L871 PolarHBondContact O-N 3.17Å |
| 868 | L | 35.2 | Very low | 37.4 | Very low | 87 Ų | 87 | 105.9 Ų | 105.9 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.5 | -31.5 | 170.6 | -76.7 | 165 | 0 | 0 | 0 | 113 | L864 E866 | L864-L868 HydrophobicContact CG-CD1 4.25Å; L864-L868 WeakPolarHBondContact O-CB 3.36Å; L864-L868 WeakPolarHBondContact O-CG 3.28Å; L864-L868 PolarHBondContact O-N 3.38Å; E866-L868 VanDerWaalsContact C-N 3.33Å; E866-L868 PolarHBondContact O-N 2.99Å |
| 869 | K | 39.3 | Very low | 37.2 | Very low | 146 Ų | 146 | 105 Ų | 105 | 64% | 0.635 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.3 | -40.5 | 168.8 | -88 | 177.7 | 171.1 | 176.2 | 0 | 112.8 | N865 E866 N867 L871 Q872 | N865-K869 PolarHBondContact O-N 3.37Å; E866-K869 CarbonylContact O-C 3.55Å; E866-K869 WeakPolarHBondContact O-CA 3.4Å; E866-K869 WeakPolarHBondContact O-CB 3.47Å; E866-K869 PolarHBondContact O-N 3.39Å; E866-K869 VanDerWaalsContact O-N 3.08Å; N867-K869 VanDerWaalsContact C-N 3.34Å; K869-L871 PolarHBondContact O-N 3.39Å; K869-Q872 VanDerWaalsContact O-CB 3.31Å; K869-Q872 WeakPolarHBondContact O-CB 3.5Å; K869-Q872 VanDerWaalsContact O-CG 3.24Å; K869-Q872 WeakPolarHBondContact O-CG 3.46Å; K869-Q872 PolarHBondContact O-N 3.19Å; K869-Q872 VanDerWaalsContact O-N 3.1Å |
| 870 | N | 35.9 | Very low | 36.9 | Very low | 122 Ų | 122 | 100.9 Ų | 100.9 | 65% | 0.652 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.9 | -16.4 | -179.3 | -65.3 | -24.8 | 0 | 0 | 0 | 112.3 | E866 N867 Q872 | E866-N870 WeakPolarHBondContact O-CB 3.44Å; E866-N870 PolarHBondContact O-N 3.09Å; E866-N870 PolarHBondContact O-ND2 2.93Å; N867-N870 PolarHBondContact O-N 2.75Å; N870-Q872 PolarHBondContact O-N 3.2Å |
| 871 | L | 27.8 | Very low | 36.4 | Very low | 136 Ų | 136 | 104 Ų | 104 | 71% | 0.712 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 12.3 | 168.9 | -77 | 165.2 | 0 | 0 | 0 | 114.1 | N867 K869 M873 | N867-L871 WeakPolarHBondContact O-CG 3.44Å; N867-L871 PolarHBondContact O-N 3.17Å; K869-L871 PolarHBondContact O-N 3.39Å; L871-M873 VanDerWaalsContact C-N 3.25Å; L871-M873 PolarHBondContact O-N 3.45Å |
| 872 | Q | 27.9 | Very low | 35.9 | Very low | 153 Ų | 153 | 109.2 Ų | 109.2 | 72% | 0.715 | 53% | 0.533 | S | S | * | . | trans | -67.5 | 77.1 | 168.6 | -79.5 | -173.9 | -31.6 | 0 | 0 | 112.5 | K869 N870 T874 | K869-Q872 VanDerWaalsContact O-CB 3.31Å; K869-Q872 WeakPolarHBondContact O-CB 3.5Å; K869-Q872 VanDerWaalsContact O-CG 3.24Å; K869-Q872 WeakPolarHBondContact O-CG 3.46Å; K869-Q872 PolarHBondContact O-N 3.19Å; K869-Q872 VanDerWaalsContact O-N 3.1Å; N870-Q872 PolarHBondContact O-N 3.2Å; Q872-T874 PolarHBondContact O-N 3.11Å | ||
| 873 | M | 30.6 | Very low | 35.4 | Very low | 134 Ų | 134 | 110.9 Ų | 110.9 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | trans | -59 | 125.1 | 143.8 | -87.6 | 172.9 | 45.3 | 0 | 0 | 107.3 | L871 V878 | L871-M873 VanDerWaalsContact C-N 3.25Å; L871-M873 PolarHBondContact O-N 3.45Å; M873-V878 HydrophobicContact CE-CG2 3.9Å | ||
| 874 | T | 32 | Very low | 35 | Very low | 68 Ų | 68 | 114.2 Ų | 114.2 | 42% | 0.417 | 55% | 0.548 | S | S | . | . | trans | -72.6 | 143.8 | -176 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | Q872 K876 E877 V878 | Q872-T874 PolarHBondContact O-N 3.11Å; T874-K876 PolarHBondContact O-N 3.11Å; T874-E877 WeakPolarHBondContact CB-OE2 3.49Å; T874-E877 WeakPolarHBondContact CG2-OE2 3.48Å; T874-E877 PolarHBondContact N-OE2 2.95Å; T874-E877 PolarHBondContact O-N 3.49Å; T874-E877 VanDerWaalsContact OG1-CD 3.3Å; T874-E877 VanDerWaalsContact OG1-CG 3.23Å; T874-E877 WeakPolarHBondContact OG1-CG 3.45Å; T874-E877 PolarHBondContact OG1-N 2.91Å; T874-E877 PolarHBondContact OG1-OE2 3.36Å; T874-V878 PolarHBondContact O-N 3.08Å | ||
| 875 | E | 32.6 | Very low | 35 | Very low | 146 Ų | 146 | 115.6 Ų | 115.6 | 68% | 0.682 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -53.2 | -27.2 | -179.1 | -155.2 | 164.6 | -141.8 | 0 | 0 | 112.4 | ||
| 876 | K | 37.2 | Very low | 34.2 | Very low | 163 Ų | 163 | 115.3 Ų | 115.3 | 71% | 0.709 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -83.9 | -27 | 174.3 | -68.8 | -173.9 | 173.2 | -175 | 0 | 115.3 | T874 V878 T879 T880 | T874-K876 PolarHBondContact O-N 3.11Å; K876-V878 VanDerWaalsContact C-N 3.32Å; K876-T879 PolarHBondContact O-OG1 3.27Å; K876-T880 WeakPolarHBondContact O-CB 3.48Å; K876-T880 WeakPolarHBondContact O-CG2 3.24Å; K876-T880 PolarHBondContact O-N 3.01Å; K876-T880 VanDerWaalsContact O-N 3.08Å; K876-T880 PolarHBondContact O-OG1 3.41Å |
| 877 | E | 36.9 | Very low | 33.4 | Very low | 88 Ų | 88 | 119 Ų | 119 | 41% | 0.411 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -78.3 | -21.2 | 175.4 | -76.8 | 170 | 120.1 | 0 | 0 | 112.3 | T874 R881 | T874-E877 WeakPolarHBondContact CB-OE2 3.49Å; T874-E877 WeakPolarHBondContact CG2-OE2 3.48Å; T874-E877 PolarHBondContact N-OE2 2.95Å; T874-E877 PolarHBondContact O-N 3.49Å; T874-E877 VanDerWaalsContact OG1-CD 3.3Å; T874-E877 VanDerWaalsContact OG1-CG 3.23Å; T874-E877 WeakPolarHBondContact OG1-CG 3.45Å; T874-E877 PolarHBondContact OG1-N 2.91Å; T874-E877 PolarHBondContact OG1-OE2 3.36Å; E877-R881 WeakPolarHBondContact O-CB 3.48Å; E877-R881 VanDerWaalsContact O-CG 3.32Å; E877-R881 WeakPolarHBondContact O-CG 3.45Å; E877-R881 PolarHBondContact O-N 3.4Å |
| 878 | V | 32.4 | Very low | 33.1 | Very low | 29 Ų | 29 | 123.1 Ų | 123.1 | 18% | 0.176 | 60% | 0.604 | C | S | . | * | H | α-helix | trans | -65.9 | -64.8 | 166.3 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | M873 T874 K876 T880 R881 Y882 | M873-V878 HydrophobicContact CE-CG2 3.9Å; T874-V878 PolarHBondContact O-N 3.08Å; K876-V878 VanDerWaalsContact C-N 3.32Å; V878-T880 PolarHBondContact O-N 3.45Å; V878-R881 PolarHBondContact O-N 3.38Å; V878-Y882 HydrophobicContact CG1-CD2 3.96Å; V878-Y882 HydrophobicContact CG1-CE2 3.78Å; V878-Y882 WeakPolarHBondContact O-CD2 3.16Å; V878-Y882 PolarHBondContact O-N 3.09Å |
| 879 | T | 36 | Very low | 32.9 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 42% | 0.423 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -56.4 | -51.6 | -175.9 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | K876 R881 Y882 E883 | K876-T879 PolarHBondContact O-OG1 3.27Å; T879-R881 PolarHBondContact O-N 2.92Å; T879-R881 VanDerWaalsContact O-N 3.11Å; T879-Y882 PolarHBondContact O-N 3.46Å; T879-Y882 VanDerWaalsContact O-N 3.09Å; T879-E883 VanDerWaalsContact O-CG 3.27Å; T879-E883 WeakPolarHBondContact O-CG 3.42Å; T879-E883 PolarHBondContact O-N 3.16Å |
| 880 | T | 37.6 | Very low | 32.4 | Very low | 66 Ų | 66 | 122.7 Ų | 122.7 | 41% | 0.405 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -73.6 | -4.5 | -175.5 | 62.2 | 0 | 0 | 0 | 0 | 115.5 | K876 V878 | K876-T880 WeakPolarHBondContact O-CB 3.48Å; K876-T880 WeakPolarHBondContact O-CG2 3.24Å; K876-T880 PolarHBondContact O-N 3.01Å; K876-T880 VanDerWaalsContact O-N 3.08Å; K876-T880 PolarHBondContact O-OG1 3.41Å; V878-T880 PolarHBondContact O-N 3.45Å |
| 881 | R | 30.7 | Very low | 32.2 | Very low | 168 Ų | 168 | 125.5 Ų | 125.5 | 63% | 0.634 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -94.7 | -42 | 163.6 | -74.6 | -175.7 | 178.5 | 172.3 | 6 | 111.9 | E877 V878 T879 E883 K884 T885 | E877-R881 WeakPolarHBondContact O-CB 3.48Å; E877-R881 VanDerWaalsContact O-CG 3.32Å; E877-R881 WeakPolarHBondContact O-CG 3.45Å; E877-R881 PolarHBondContact O-N 3.4Å; V878-R881 PolarHBondContact O-N 3.38Å; T879-R881 PolarHBondContact O-N 2.92Å; T879-R881 VanDerWaalsContact O-N 3.11Å; R881-E883 VanDerWaalsContact C-N 3.31Å; R881-E883 PolarHBondContact O-N 3.1Å; R881-K884 PolarHBondContact O-N 2.98Å; R881-T885 PolarHBondContact O-N 2.91Å; R881-T885 PolarHBondContact O-OG1 2.99Å |
| 882 | Y | 33.5 | Very low | 32.3 | Very low | 169 Ų | 169 | 120.8 Ų | 120.8 | 66% | 0.663 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59 | -42.9 | 177.7 | -84.1 | -125 | 0 | 0 | 0 | 111.2 | V878 T879 K884 T885 | V878-Y882 HydrophobicContact CG1-CD2 3.96Å; V878-Y882 HydrophobicContact CG1-CE2 3.78Å; V878-Y882 WeakPolarHBondContact O-CD2 3.16Å; V878-Y882 PolarHBondContact O-N 3.09Å; T879-Y882 PolarHBondContact O-N 3.46Å; T879-Y882 VanDerWaalsContact O-N 3.09Å; Y882-K884 PolarHBondContact O-N 2.93Å; Y882-T885 PolarHBondContact O-N 3.07Å |
| 883 | E | 36.1 | Very low | 32.6 | Very low | 137 Ų | 137 | 118.1 Ų | 118.1 | 64% | 0.64 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -18.4 | 173.3 | -72.7 | 160.4 | -153.8 | 0 | 0 | 114.8 | T879 R881 | T879-E883 VanDerWaalsContact O-CG 3.27Å; T879-E883 WeakPolarHBondContact O-CG 3.42Å; T879-E883 PolarHBondContact O-N 3.16Å; R881-E883 VanDerWaalsContact C-N 3.31Å; R881-E883 PolarHBondContact O-N 3.1Å |
| 884 | K | 35.2 | Very low | 32.6 | Very low | 166 Ų | 166 | 121.7 Ų | 121.7 | 72% | 0.722 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | -4 | -171.2 | -77.6 | 176.2 | -179.2 | 158.1 | 0 | 115.4 | R881 Y882 | R881-K884 PolarHBondContact O-N 2.98Å; Y882-K884 PolarHBondContact O-N 2.93Å |
| 885 | T | 34.1 | Very low | 32.8 | Very low | 100 Ų | 100 | 123.4 Ų | 123.4 | 61% | 0.613 | 60% | 0.597 | S | S | * | * | trans | -128.7 | 60.7 | 177.6 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | R881 Y882 K887 | R881-T885 PolarHBondContact O-N 2.91Å; R881-T885 PolarHBondContact O-OG1 2.99Å; Y882-T885 PolarHBondContact O-N 3.07Å; T885-K887 VanDerWaalsContact C-N 3.3Å; T885-K887 PolarHBondContact O-N 3.05Å | ||
| 886 | G | 27.1 | Very low | 32.7 | Very low | 76 Ų | 76 | 119.9 Ų | 119.9 | 78% | 0.784 | 60% | 0.6 | S | S | * | * | trans | -67 | 80.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 887 | K | 27.7 | Very low | 32.5 | Very low | 194 Ų | 194 | 116 Ų | 116 | 84% | 0.843 | 59% | 0.586 | S | S | * | * | trans | -178.5 | 108 | 156.8 | -101.2 | 155.1 | -173.8 | 176.8 | 0 | 110.1 | T885 | T885-K887 VanDerWaalsContact C-N 3.3Å; T885-K887 PolarHBondContact O-N 3.05Å | ||
| 888 | F | 28.8 | Very low | 32.5 | Very low | 169 Ų | 169 | 115.6 Ų | 115.6 | 74% | 0.741 | 59% | 0.587 | S | S | * | * | trans | -117.1 | 151.3 | 147.4 | -99.8 | -77.3 | 0 | 0 | 0 | 108.3 | ||||
| 889 | S | 30.9 | Very low | 32.4 | Very low | 70 Ų | 70 | 118.5 Ų | 118.5 | 49% | 0.49 | 61% | 0.607 | S | S | . | * | trans | -87.4 | 147.6 | -176.2 | 30.1 | 0 | 0 | 0 | 0 | 112.4 | Y891 D892 | S889-Y891 PolarHBondContact O-N 3.28Å; S889-D892 PolarHBondContact N-OD2 2.87Å; S889-D892 PolarHBondContact O-N 2.89Å; S889-D892 VanDerWaalsContact O-OD2 3.14Å; S889-D892 PolarHBondContact OG-OD2 3Å | ||
| 890 | E | 29.3 | Very low | 32.4 | Very low | 154 Ų | 154 | 121.3 Ų | 121.3 | 72% | 0.72 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -4 | 179.1 | -153.2 | 178.1 | 161.9 | 0 | 0 | 115 | F262 | F262-E890 HydrophobicContact CZ-CG 4.23Š|
| 891 | Y | 31.2 | Very low | 32.6 | Very low | 180 Ų | 180 | 121.8 Ų | 121.8 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -24.1 | -180 | -80.7 | -96.3 | 0 | 0 | 0 | 114 | S889 C893 R894 | S889-Y891 PolarHBondContact O-N 3.28Å; Y891-C893 PolarHBondContact O-N 2.71Å; Y891-R894 PolarHBondContact O-N 2.94Å |
| 892 | D | 30.9 | Very low | 32.7 | Very low | 37 Ų | 37 | 118.2 Ų | 118.2 | 20% | 0.198 | 60% | 0.599 | C | S | . | * | G | 310 helix | trans | -76.7 | -23 | -164.5 | -63.9 | -56.2 | 0 | 0 | 0 | 113.6 | Y829 S889 R894 | Y829-D892 WeakPolarHBondContact CE1-OD1 3.49Å; Y829-D892 PolarHBondContact OH-OD1 3.24Å; S889-D892 PolarHBondContact N-OD2 2.87Å; S889-D892 PolarHBondContact O-N 2.89Å; S889-D892 VanDerWaalsContact O-OD2 3.14Å; S889-D892 PolarHBondContact OG-OD2 3Å; D892-R894 PolarHBondContact O-N 3.44Å; D892-R894 VanDerWaalsContact O-N 3.16Å |
| 893 | C | 33.1 | Very low | 32.9 | Very low | 97 Ų | 97 | 115.9 Ų | 115.9 | 66% | 0.655 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -66.7 | -13.2 | 176.7 | -56.5 | 0 | 0 | 0 | 0 | 114 | Y891 I895 | Y891-C893 PolarHBondContact O-N 2.71Å; C893-I895 VanDerWaalsContact C-N 3.35Å; C893-I895 PolarHBondContact O-N 2.96Å |
| 894 | R | 31.2 | Very low | 33.1 | Very low | 209 Ų | 209 | 111.8 Ų | 111.8 | 79% | 0.789 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -83.3 | -3.3 | -176.3 | -63.4 | -171 | -179.1 | -159 | 0.1 | 114.9 | Y891 D892 | Y891-R894 PolarHBondContact O-N 2.94Å; D892-R894 PolarHBondContact O-N 3.44Å; D892-R894 VanDerWaalsContact O-N 3.16Å |
| 895 | I | 36.1 | Very low | 33.2 | Very low | 105 Ų | 105 | 108.3 Ų | 108.3 | 54% | 0.538 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -98.1 | 1.3 | -175.2 | -60.7 | 176.1 | 0 | 0 | 0 | 112.4 | C893 L897 | C893-I895 VanDerWaalsContact C-N 3.35Å; C893-I895 PolarHBondContact O-N 2.96Å; I895-L897 VanDerWaalsContact C-N 3.27Å; I895-L897 HydrophobicContact CG2-CD1 4.37Å; I895-L897 PolarHBondContact O-N 2.91Å; I895-L897 VanDerWaalsContact O-N 3.15Å |
| 896 | G | 31.1 | Very low | 33.3 | Very low | 72 Ų | 72 | 109.5 Ų | 109.5 | 74% | 0.742 | 56% | 0.558 | S | S | * | * | trans | 66.5 | 18.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 897 | L | 32.7 | Very low | 33.8 | Very low | 80 Ų | 80 | 110.3 Ų | 110.3 | 42% | 0.419 | 54% | 0.54 | S | S | . | . | trans | -129.9 | 54.6 | -169.1 | -83.8 | 159.1 | 0 | 0 | 0 | 112.3 | I895 P899 I902 | I895-L897 VanDerWaalsContact C-N 3.27Å; I895-L897 HydrophobicContact CG2-CD1 4.37Å; I895-L897 PolarHBondContact O-N 2.91Å; I895-L897 VanDerWaalsContact O-N 3.15Å; L897-P899 WeakPolarHBondContact O-CD 3.21Å; L897-I902 HydrophobicContact CD2-CD1 4.35Å | ||
| 898 | D | 36.2 | Very low | 34.2 | Very low | 80 Ų | 80 | 104.1 Ų | 104.1 | 43% | 0.428 | 52% | 0.521 | S | S | . | . | trans | -77.7 | 116.7 | 168.4 | 174.5 | 21.8 | 0 | 0 | 0 | 110.9 | Y900 K901 I902 | D898-Y900 PolarHBondContact O-N 3.38Å; D898-Y900 WeakPolarHBondContact OD1-CB 3.49Å; D898-Y900 PolarHBondContact OD1-N 3.48Å; D898-K901 HydrophobicContact CB-CB 4.01Å; D898-K901 VanDerWaalsContact OD2-CB 3.26Å; D898-K901 WeakPolarHBondContact OD2-CB 3.45Å; D898-K901 PolarHBondContact OD2-N 3.1Å; D898-I902 WeakPolarHBondContact O-CG1 3.37Å; D898-I902 PolarHBondContact O-N 3.34Å | ||
| 899 | P | 31.2 | Very low | 34.5 | Very low | 91 Ų | 91 | 101.9 Ų | 101.9 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -27.3 | 175.3 | -19.7 | 33.4 | 0 | 0 | 0 | 113.6 | L897 Y903 | L897-P899 WeakPolarHBondContact O-CD 3.21Å; P899-Y903 WeakPolarHBondContact O-CB 3.44Å; P899-Y903 PolarHBondContact O-N 2.93Å; P899-Y903 VanDerWaalsContact O-N 3.1Å |
| 900 | Y | 36 | Very low | 34.6 | Very low | 128 Ų | 128 | 102.3 Ų | 102.3 | 50% | 0.502 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73.4 | -49.4 | -179 | -145.1 | -100.9 | 0 | 0 | 0 | 110.6 | D898 I902 Y903 T904 | D898-Y900 PolarHBondContact O-N 3.38Å; D898-Y900 WeakPolarHBondContact OD1-CB 3.49Å; D898-Y900 PolarHBondContact OD1-N 3.48Å; Y900-I902 VanDerWaalsContact C-N 3.33Å; Y900-I902 PolarHBondContact O-N 3.07Å; Y900-Y903 CarbonylContact O-C 3.57Å; Y900-Y903 WeakPolarHBondContact O-CA 3.5Å; Y900-Y903 WeakPolarHBondContact O-CB 3.5Å; Y900-Y903 PolarHBondContact O-N 3.12Å; Y900-T904 HydrophobicContact CD1-CG2 4.47Å; Y900-T904 PolarHBondContact O-N 3.33Å; Y900-T904 PolarHBondContact O-OG1 3.06Å |
| 901 | K | 41.3 | Very low | 34.9 | Very low | 75 Ų | 75 | 100.5 Ų | 100.5 | 33% | 0.326 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.5 | -39.6 | 173.4 | -159.5 | 168.3 | -169.5 | 97.1 | 0 | 113.2 | E258 D898 Y903 T904 D905 | E258-K901 PolarHBondContact O-NZ 3.42Å; E258-K901 IonicContact OE2-NZ 3.17Å; E258-K901 PolarHBondContact OE2-NZ 3.4Å; D898-K901 HydrophobicContact CB-CB 4.01Å; D898-K901 VanDerWaalsContact OD2-CB 3.26Å; D898-K901 WeakPolarHBondContact OD2-CB 3.45Å; D898-K901 PolarHBondContact OD2-N 3.1Å; K901-Y903 VanDerWaalsContact C-N 3.32Å; K901-Y903 PolarHBondContact O-N 2.8Å; K901-T904 WeakPolarHBondContact CA-OG1 3.46Å; K901-T904 PolarHBondContact O-N 3.03Å; K901-T904 PolarHBondContact O-OG1 3.48Å; K901-D905 WeakPolarHBondContact O-CB 3.22Å; K901-D905 PolarHBondContact O-N 3.16Å |
| 902 | I | 33.4 | Very low | 35 | Very low | 93 Ų | 93 | 100.3 Ų | 100.3 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 174.2 | -66.8 | 166.8 | 0 | 0 | 0 | 111.3 | L897 D898 Y900 Y906 | L897-I902 HydrophobicContact CD2-CD1 4.35Å; D898-I902 WeakPolarHBondContact O-CG1 3.37Å; D898-I902 PolarHBondContact O-N 3.34Å; Y900-I902 VanDerWaalsContact C-N 3.33Å; Y900-I902 PolarHBondContact O-N 3.07Å; I902-Y906 VanDerWaalsContact O-CB 3.27Å; I902-Y906 WeakPolarHBondContact O-CB 3.2Å; I902-Y906 PolarHBondContact O-N 2.91Å; I902-Y906 VanDerWaalsContact O-N 3.11Å |
| 903 | Y | 37.6 | Very low | 34.9 | Very low | 121 Ų | 121 | 103.9 Ų | 103.9 | 48% | 0.475 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.2 | -39.1 | 176 | 174.4 | -100.9 | 0 | 0 | 0 | 112.6 | P899 Y900 K901 K907 | P899-Y903 WeakPolarHBondContact O-CB 3.44Å; P899-Y903 PolarHBondContact O-N 2.93Å; P899-Y903 VanDerWaalsContact O-N 3.1Å; Y900-Y903 CarbonylContact O-C 3.57Å; Y900-Y903 WeakPolarHBondContact O-CA 3.5Å; Y900-Y903 WeakPolarHBondContact O-CB 3.5Å; Y900-Y903 PolarHBondContact O-N 3.12Å; K901-Y903 VanDerWaalsContact C-N 3.32Å; K901-Y903 PolarHBondContact O-N 2.8Å; Y903-K907 HydrophobicContact CE1-CD 3.93Å; Y903-K907 VanDerWaalsContact O-CB 3.25Å; Y903-K907 WeakPolarHBondContact O-CB 3.41Å; Y903-K907 PolarHBondContact O-N 2.99Å; Y903-K907 PolarHBondContact OH-NZ 3.07Å |
| 904 | T | 39.4 | Very low | 34.5 | Very low | 50 Ų | 50 | 103.1 Ų | 103.1 | 31% | 0.307 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.3 | -44.5 | 175.1 | 52 | 0 | 0 | 0 | 0 | 111.8 | Y900 K901 Y906 K907 C908 | Y900-T904 HydrophobicContact CD1-CG2 4.47Å; Y900-T904 PolarHBondContact O-N 3.33Å; Y900-T904 PolarHBondContact O-OG1 3.06Å; K901-T904 WeakPolarHBondContact CA-OG1 3.46Å; K901-T904 PolarHBondContact O-N 3.03Å; K901-T904 PolarHBondContact O-OG1 3.48Å; T904-Y906 VanDerWaalsContact C-N 3.32Å; T904-Y906 PolarHBondContact O-N 2.76Å; T904-K907 PolarHBondContact O-N 2.77Å; T904-C908 WeakPolarHBondContact O-CB 3.34Å; T904-C908 PolarHBondContact O-N 3.19Å; T904-C908 PolarHBondContact O-SG 3.3Å; T904-C908 VanDerWaalsContact O-SG 3.4Å |
| 905 | D | 37.6 | Very low | 34.3 | Very low | 93 Ų | 93 | 104 Ų | 104 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 174.8 | -82.1 | -12.1 | 0 | 0 | 0 | 111.4 | K901 C908 F909 | K901-D905 WeakPolarHBondContact O-CB 3.22Å; K901-D905 PolarHBondContact O-N 3.16Å; D905-C908 PolarHBondContact O-N 3.03Å; D905-F909 VanDerWaalsContact O-CB 3.3Å; D905-F909 WeakPolarHBondContact O-CB 3.46Å; D905-F909 PolarHBondContact O-N 3.21Å |
| 906 | Y | 36.8 | Very low | 34 | Very low | 125 Ų | 125 | 104.7 Ų | 104.7 | 49% | 0.49 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 175.7 | 178.1 | -105.1 | 0 | 0 | 0 | 112.6 | I902 T904 F909 I910 | I902-Y906 VanDerWaalsContact O-CB 3.27Å; I902-Y906 WeakPolarHBondContact O-CB 3.2Å; I902-Y906 PolarHBondContact O-N 2.91Å; I902-Y906 VanDerWaalsContact O-N 3.11Å; T904-Y906 VanDerWaalsContact C-N 3.32Å; T904-Y906 PolarHBondContact O-N 2.76Å; Y906-F909 PolarHBondContact O-N 2.95Å; Y906-I910 HydrophobicContact CD1-CD1 4.05Å; Y906-I910 HydrophobicContact CD2-CD1 4.46Å; Y906-I910 HydrophobicContact CE1-CD1 3.56Å; Y906-I910 HydrophobicContact CE2-CD1 4.02Å; Y906-I910 HydrophobicContact CG-CD1 4.48Å; Y906-I910 WeakPolarHBondContact O-CG1 3.5Å; Y906-I910 PolarHBondContact O-N 3.19Å |
| 907 | K | 36.9 | Very low | 33.7 | Very low | 93 Ų | 93 | 108.6 Ų | 108.6 | 40% | 0.404 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 179.3 | -167.4 | 172.1 | -176.4 | 174 | 0 | 111.9 | Y903 T904 N911 | Y903-K907 HydrophobicContact CE1-CD 3.93Å; Y903-K907 VanDerWaalsContact O-CB 3.25Å; Y903-K907 WeakPolarHBondContact O-CB 3.41Å; Y903-K907 PolarHBondContact O-N 2.99Å; Y903-K907 PolarHBondContact OH-NZ 3.07Å; T904-K907 PolarHBondContact O-N 2.77Å; K907-N911 WeakPolarHBondContact O-CB 3.45Å; K907-N911 VanDerWaalsContact O-CG 3.28Å; K907-N911 PolarHBondContact O-N 3.29Å |
| 908 | C | 37.1 | Very low | 33.5 | Very low | 65 Ų | 65 | 112.6 Ų | 112.6 | 44% | 0.439 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.7 | -38.5 | 174.4 | -72.2 | 0 | 0 | 0 | 0 | 112.4 | T904 D905 N911 R912 | T904-C908 WeakPolarHBondContact O-CB 3.34Å; T904-C908 PolarHBondContact O-N 3.19Å; T904-C908 PolarHBondContact O-SG 3.3Å; T904-C908 VanDerWaalsContact O-SG 3.4Å; D905-C908 PolarHBondContact O-N 3.03Å; C908-N911 PolarHBondContact O-N 3.32Å; C908-R912 PolarHBondContact O-N 2.88Å |
| 909 | F | 34.2 | Very low | 33 | Very low | 122 Ų | 122 | 116.3 Ų | 116.3 | 54% | 0.535 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.4 | -38.1 | 175.4 | -176.4 | -98.8 | 0 | 0 | 0 | 112.5 | D905 Y906 N913 | D905-F909 VanDerWaalsContact O-CB 3.3Å; D905-F909 WeakPolarHBondContact O-CB 3.46Å; D905-F909 PolarHBondContact O-N 3.21Å; Y906-F909 PolarHBondContact O-N 2.95Å; F909-N913 PolarHBondContact O-ND2 3.02Å |
| 910 | I | 33.9 | Very low | 32.9 | Very low | 79 Ų | 79 | 117.8 Ų | 117.8 | 41% | 0.405 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.4 | -47.7 | 172.8 | -72 | 172.2 | 0 | 0 | 0 | 110.8 | Y906 R912 N913 | Y906-I910 HydrophobicContact CD1-CD1 4.05Å; Y906-I910 HydrophobicContact CD2-CD1 4.46Å; Y906-I910 HydrophobicContact CE1-CD1 3.56Å; Y906-I910 HydrophobicContact CE2-CD1 4.02Å; Y906-I910 HydrophobicContact CG-CD1 4.48Å; Y906-I910 WeakPolarHBondContact O-CG1 3.5Å; Y906-I910 PolarHBondContact O-N 3.19Å; I910-R912 VanDerWaalsContact C-N 3.35Å; I910-R912 PolarHBondContact O-N 3.29Å; I910-N913 PolarHBondContact O-N 3.24Å |
| 911 | N | 36.2 | Very low | 32.7 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.3 | -29 | -176.2 | -74.1 | -9.3 | 0 | 0 | 0 | 114.1 | K907 C908 N913 | K907-N911 WeakPolarHBondContact O-CB 3.45Å; K907-N911 VanDerWaalsContact O-CG 3.28Å; K907-N911 PolarHBondContact O-N 3.29Å; C908-N911 PolarHBondContact O-N 3.32Å; N911-N913 VanDerWaalsContact C-N 3.34Å |
| 912 | R | 32.1 | Very low | 32.4 | Very low | 176 Ų | 176 | 125 Ų | 125 | 66% | 0.664 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -8.7 | 177.7 | -94 | -177.1 | 170.3 | 146.5 | 1 | 114.9 | M255 C908 I910 | M255-R912 PolarHBondContact SD-NH1 3.47Å; C908-R912 PolarHBondContact O-N 2.88Å; I910-R912 VanDerWaalsContact C-N 3.35Å; I910-R912 PolarHBondContact O-N 3.29Å |
| 913 | N | 29 | Very low | 32.7 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 60% | 0.599 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 38.5 | -173.6 | -74.3 | -71.8 | 0 | 0 | 0 | 113.4 | F909 I910 N911 | F909-N913 PolarHBondContact O-ND2 3.02Å; I910-N913 PolarHBondContact O-N 3.24Å; N911-N913 VanDerWaalsContact C-N 3.34Å |
| 914 | C | 25.3 | Very low | 32.5 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 54% | 0.541 | 61% | 0.611 | S | S | . | * | trans | -129.4 | 156.7 | 177 | -80.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 915 | Y | 27.1 | Very low | 32.3 | Very low | 227 Ų | 227 | 123.8 Ų | 123.8 | 89% | 0.89 | 63% | 0.626 | S | S | * | * | trans | 71.5 | 133.9 | -173.2 | -41.9 | -69.5 | 0 | 0 | 0 | 113.3 | ||||
| 916 | T | 29.3 | Very low | 32.4 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 74% | 0.736 | 63% | 0.626 | S | S | * | * | cis | -139.5 | 143.4 | 6.2 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 917 | N | 24.8 | Very low | 32.6 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 82% | 0.824 | 63% | 0.632 | S | S | * | * | trans | 56.7 | 113.2 | 151.5 | -74.7 | -28.7 | 0 | 0 | 0 | 122.3 | ||||
| 918 | L | 27.7 | Very low | 32.7 | Very low | 164 Ų | 164 | 125.2 Ų | 125.2 | 86% | 0.859 | 64% | 0.639 | S | S | * | * | 73.5 | 46.4 | 123.7 | -150.4 | 82.1 | 0 | 0 | 0 | 119.6 | |||||
| 919 | D | 27.1 | Very low | 32.8 | Very low | 158 Ų | 158 | 123.7 Ų | 123.7 | 85% | 0.845 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -157.9 | 163.8 | 143.8 | -114 | -36.3 | 0 | 0 | 0 | 110.9 | ||
| 920 | L | 29.3 | Very low | 33.2 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 64% | 0.644 | 63% | 0.629 | S | S | * | * | trans | 70 | 49.9 | 171.3 | -57.6 | 168.1 | 0 | 0 | 0 | 119.1 | I922 N923 | L920-I922 PolarHBondContact O-N 3.33Å; L920-N923 PolarHBondContact O-N 3.05Å | ||
| 921 | E | 30.5 | Very low | 33.6 | Very low | 205 Ų | 205 | 121.4 Ų | 121.4 | 96% | 0.958 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -2.6 | 170.4 | -93.9 | -172.3 | 145.5 | 0 | 0 | 116.5 | ||
| 922 | I | 34.4 | Very low | 33.7 | Very low | 148 Ų | 148 | 119.7 Ų | 119.7 | 76% | 0.759 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -21.6 | -173.7 | -65.4 | 175.8 | 0 | 0 | 0 | 112.9 | L920 | L920-I922 PolarHBondContact O-N 3.33Š|
| 923 | N | 39.9 | Very low | 34.1 | Very low | 69 Ų | 69 | 114 Ų | 114 | 37% | 0.369 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -94.4 | -9.9 | -167.7 | -69.4 | 1 | 0 | 0 | 0 | 114.8 | L920 N925 E926 L927 | L920-N923 PolarHBondContact O-N 3.05Å; N923-N925 VanDerWaalsContact C-N 3.32Å; N923-N925 PolarHBondContact O-N 2.7Å; N923-E926 PolarHBondContact O-N 2.78Å; N923-E926 VanDerWaalsContact O-N 3.15Å; N923-L927 PolarHBondContact O-N 3.04Å |
| 924 | A | 33.6 | Very low | 34.8 | Very low | 55 Ų | 55 | 111 Ų | 111 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -58.5 | -41.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | E926 L927 Q928 | A924-E926 VanDerWaalsContact C-N 3.32Å; A924-E926 PolarHBondContact O-N 3.42Å; A924-L927 PolarHBondContact O-N 2.79Å; A924-Q928 WeakPolarHBondContact O-CG 3.33Å; A924-Q928 PolarHBondContact O-N 2.7Å |
| 925 | N | 35 | Very low | 35.4 | Very low | 115 Ų | 115 | 109.3 Ų | 109.3 | 62% | 0.615 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.4 | -34.7 | 179.4 | -62.3 | -7.9 | 0 | 0 | 0 | 112.1 | N923 A929 | N923-N925 VanDerWaalsContact C-N 3.32Å; N923-N925 PolarHBondContact O-N 2.7Å; N925-A929 VanDerWaalsContact O-CB 3.29Å; N925-A929 WeakPolarHBondContact O-CB 3.49Å; N925-A929 PolarHBondContact O-N 2.81Å |
| 926 | E | 39.6 | Very low | 35.8 | Very low | 105 Ų | 105 | 101 Ų | 101 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -75.5 | -34.5 | 178.6 | -154.1 | -155 | -157 | 0 | 0 | 111.3 | N923 A924 A929 K930 | N923-E926 PolarHBondContact O-N 2.78Å; N923-E926 VanDerWaalsContact O-N 3.15Å; A924-E926 VanDerWaalsContact C-N 3.32Å; A924-E926 PolarHBondContact O-N 3.42Å; E926-A929 PolarHBondContact O-N 3.26Å; E926-K930 HydrophobicContact CG-CD 4.46Å; E926-K930 WeakPolarHBondContact O-CB 3.2Å; E926-K930 WeakPolarHBondContact O-CD 3.3Å; E926-K930 VanDerWaalsContact O-CG 3.23Å; E926-K930 WeakPolarHBondContact O-CG 3.45Å; E926-K930 PolarHBondContact O-N 3.44Å; E926-K930 IonicContact OE1-NZ 3.69Å; E926-K930 PolarHBondContact OE1-NZ 3.44Å; E926-K930 VanDerWaalsContact OE1-NZ 3.12Å; E926-K930 IonicContact OE2-NZ 3.68Å; E926-K930 PolarHBondContact OE2-NZ 3.09Å |
| 927 | L | 41.5 | Very low | 36.4 | Very low | 120 Ų | 120 | 100 Ų | 100 | 63% | 0.628 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67 | -42.5 | 170.7 | -99.8 | 159.3 | 0 | 0 | 0 | 112.2 | N923 A924 K930 A931 | N923-L927 PolarHBondContact O-N 3.04Å; A924-L927 PolarHBondContact O-N 2.79Å; L927-K930 PolarHBondContact O-N 3.08Å; L927-A931 WeakPolarHBondContact O-CB 3.49Å; L927-A931 PolarHBondContact O-N 2.7Å |
| 928 | Q | 39.1 | Very low | 37.2 | Very low | 117 Ų | 117 | 100.8 Ų | 100.8 | 55% | 0.547 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 172.4 | -74.5 | -178.9 | -3.4 | 0 | 0 | 111.8 | A924 A931 L932 | A924-Q928 WeakPolarHBondContact O-CG 3.33Å; A924-Q928 PolarHBondContact O-N 2.7Å; Q928-A931 PolarHBondContact O-N 3.41Å; Q928-L932 WeakPolarHBondContact O-CB 3.26Å; Q928-L932 WeakPolarHBondContact O-CG 3.49Å; Q928-L932 PolarHBondContact O-N 3.05Å |
| 929 | A | 39.9 | Very low | 37.4 | Very low | 32 Ų | 32 | 97.9 Ų | 97.9 | 26% | 0.264 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F851 N925 E926 L932 C933 | F851-A929 HydrophobicContact CZ-CB 4.26Å; N925-A929 VanDerWaalsContact O-CB 3.29Å; N925-A929 WeakPolarHBondContact O-CB 3.49Å; N925-A929 PolarHBondContact O-N 2.81Å; E926-A929 PolarHBondContact O-N 3.26Å; A929-L932 PolarHBondContact O-N 3.23Å; A929-C933 WeakPolarHBondContact O-CB 3.33Å; A929-C933 PolarHBondContact O-N 3.39Å; A929-C933 PolarHBondContact O-SG 3.37Å; A929-C933 VanDerWaalsContact O-SG 3.4Å |
| 930 | K | 42.9 | Very low | 37.9 | Very low | 115 Ų | 115 | 93.9 Ų | 93.9 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 175.1 | -75.6 | 165.1 | -178.5 | 169.9 | 0 | 112.2 | E926 L927 S934 | E926-K930 HydrophobicContact CG-CD 4.46Å; E926-K930 WeakPolarHBondContact O-CB 3.2Å; E926-K930 WeakPolarHBondContact O-CD 3.3Å; E926-K930 VanDerWaalsContact O-CG 3.23Å; E926-K930 WeakPolarHBondContact O-CG 3.45Å; E926-K930 PolarHBondContact O-N 3.44Å; E926-K930 IonicContact OE1-NZ 3.69Å; E926-K930 PolarHBondContact OE1-NZ 3.44Å; E926-K930 VanDerWaalsContact OE1-NZ 3.12Å; E926-K930 IonicContact OE2-NZ 3.68Å; E926-K930 PolarHBondContact OE2-NZ 3.09Å; L927-K930 PolarHBondContact O-N 3.08Å; K930-S934 WeakPolarHBondContact O-CB 3.34Å; K930-S934 PolarHBondContact O-N 3.5Å |
| 931 | A | 42 | Very low | 38.3 | Very low | 39 Ų | 39 | 90.9 Ų | 90.9 | 32% | 0.322 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L927 Q928 S934 A935 | L927-A931 WeakPolarHBondContact O-CB 3.49Å; L927-A931 PolarHBondContact O-N 2.7Å; Q928-A931 PolarHBondContact O-N 3.41Å; A931-S934 PolarHBondContact O-N 2.97Å; A931-A935 WeakPolarHBondContact O-CB 3.44Å; A931-A935 PolarHBondContact O-N 3.5Å |
| 932 | L | 37.5 | Very low | 38.5 | Very low | 79 Ų | 79 | 85.6 Ų | 85.6 | 41% | 0.414 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 174.6 | -80.6 | 163.5 | 0 | 0 | 0 | 112.3 | W847 Q928 A929 S934 A935 A936 | W847-L932 HydrophobicContact CZ3-CD2 4.41Å; Q928-L932 WeakPolarHBondContact O-CB 3.26Å; Q928-L932 WeakPolarHBondContact O-CG 3.49Å; Q928-L932 PolarHBondContact O-N 3.05Å; A929-L932 PolarHBondContact O-N 3.23Å; L932-S934 VanDerWaalsContact C-N 3.35Å; L932-A935 PolarHBondContact O-N 3.23Å; L932-A936 VanDerWaalsContact O-CB 3.28Å; L932-A936 WeakPolarHBondContact O-CB 3.47Å; L932-A936 PolarHBondContact O-N 3.17Å |
| 933 | C | 41.7 | Very low | 38.7 | Very low | 56 Ų | 56 | 83.2 Ų | 83.2 | 38% | 0.378 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.8 | -34.1 | 172.5 | -73.5 | 0 | 0 | 0 | 0 | 112.4 | A929 T937 | A929-C933 WeakPolarHBondContact O-CB 3.33Å; A929-C933 PolarHBondContact O-N 3.39Å; A929-C933 PolarHBondContact O-SG 3.37Å; A929-C933 VanDerWaalsContact O-SG 3.4Å; C933-T937 WeakPolarHBondContact O-CB 3.37Å; C933-T937 WeakPolarHBondContact O-CG2 3.27Å; C933-T937 PolarHBondContact O-N 3.18Å; C933-T937 PolarHBondContact O-OG1 3.47Å |
| 934 | S | 42.5 | Very low | 38.5 | Very low | 50 Ų | 50 | 87.8 Ų | 87.8 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 172.4 | -171.6 | 0 | 0 | 0 | 0 | 112 | K930 A931 L932 T937 K938 | K930-S934 WeakPolarHBondContact O-CB 3.34Å; K930-S934 PolarHBondContact O-N 3.5Å; A931-S934 PolarHBondContact O-N 2.97Å; L932-S934 VanDerWaalsContact C-N 3.35Å; S934-T937 WeakPolarHBondContact CA-OG1 3.46Å; S934-T937 PolarHBondContact O-OG1 2.79Å; S934-K938 WeakPolarHBondContact O-CB 3.5Å; S934-K938 WeakPolarHBondContact O-CD 3.42Å; S934-K938 WeakPolarHBondContact O-CG 3.42Å; S934-K938 PolarHBondContact O-N 3.16Å; S934-K938 VanDerWaalsContact O-N 3.07Å |
| 935 | A | 37.3 | Very low | 38.5 | Very low | 44 Ų | 44 | 90.5 Ų | 90.5 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.6 | -43.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A931 L932 K938 L939 | A931-A935 WeakPolarHBondContact O-CB 3.44Å; A931-A935 PolarHBondContact O-N 3.5Å; L932-A935 PolarHBondContact O-N 3.23Å; A935-K938 CarbonylContact O-C 3.44Å; A935-K938 PolarHBondContact O-N 2.59Å; A935-L939 WeakPolarHBondContact O-CB 3.34Å; A935-L939 VanDerWaalsContact O-CG 3.28Å; A935-L939 WeakPolarHBondContact O-CG 3.36Å; A935-L939 PolarHBondContact O-N 2.85Å |
| 936 | A | 36.9 | Very low | 38.6 | Very low | 53 Ų | 53 | 93 Ų | 93 | 44% | 0.438 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -37.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L932 L939 N940 | L932-A936 VanDerWaalsContact O-CB 3.28Å; L932-A936 WeakPolarHBondContact O-CB 3.47Å; L932-A936 PolarHBondContact O-N 3.17Å; A936-L939 CarbonylContact O-C 3.39Å; A936-L939 PolarHBondContact O-N 3.47Å; A936-N940 PolarHBondContact O-N 3.3Å; A936-N940 VanDerWaalsContact O-N 3.15Å |
| 937 | T | 41.4 | Very low | 38.1 | Very low | 98 Ų | 98 | 94.5 Ų | 94.5 | 60% | 0.601 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.4 | -31.4 | 173.2 | 48.2 | 0 | 0 | 0 | 0 | 112.7 | C933 S934 L939 N940 | C933-T937 WeakPolarHBondContact O-CB 3.37Å; C933-T937 WeakPolarHBondContact O-CG2 3.27Å; C933-T937 PolarHBondContact O-N 3.18Å; C933-T937 PolarHBondContact O-OG1 3.47Å; S934-T937 WeakPolarHBondContact CA-OG1 3.46Å; S934-T937 PolarHBondContact O-OG1 2.79Å; T937-L939 VanDerWaalsContact C-N 3.31Å; T937-N940 WeakPolarHBondContact O-CB 3.39Å; T937-N940 PolarHBondContact O-N 2.9Å |
| 938 | K | 40.7 | Very low | 37.5 | Very low | 172 Ų | 172 | 96.7 Ų | 96.7 | 75% | 0.748 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.2 | -19.7 | 168.7 | -73 | 170.5 | -177.3 | 173.4 | 0 | 114.1 | S934 A935 | S934-K938 WeakPolarHBondContact O-CB 3.5Å; S934-K938 WeakPolarHBondContact O-CD 3.42Å; S934-K938 WeakPolarHBondContact O-CG 3.42Å; S934-K938 PolarHBondContact O-N 3.16Å; S934-K938 VanDerWaalsContact O-N 3.07Å; A935-K938 CarbonylContact O-C 3.44Å; A935-K938 PolarHBondContact O-N 2.59Å |
| 939 | L | 33.4 | Very low | 37.1 | Very low | 103 Ų | 103 | 94.2 Ų | 94.2 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 7.7 | 172.1 | -72.6 | 168 | 0 | 0 | 0 | 112.4 | A935 A936 T937 I941 | A935-L939 WeakPolarHBondContact O-CB 3.34Å; A935-L939 VanDerWaalsContact O-CG 3.28Å; A935-L939 WeakPolarHBondContact O-CG 3.36Å; A935-L939 PolarHBondContact O-N 2.85Å; A936-L939 CarbonylContact O-C 3.39Å; A936-L939 PolarHBondContact O-N 3.47Å; T937-L939 VanDerWaalsContact C-N 3.31Å; L939-I941 PolarHBondContact O-N 3.12Å |
| 940 | N | 36.7 | Very low | 36.6 | Very low | 74 Ų | 74 | 97.9 Ų | 97.9 | 40% | 0.396 | 56% | 0.564 | S | S | . | * | trans | -75.8 | 112 | -179.1 | -169.7 | 22.9 | 0 | 0 | 0 | 110.5 | A936 T937 D942 | A936-N940 PolarHBondContact O-N 3.3Å; A936-N940 VanDerWaalsContact O-N 3.15Å; T937-N940 WeakPolarHBondContact O-CB 3.39Å; T937-N940 PolarHBondContact O-N 2.9Å; N940-D942 PolarHBondContact O-N 3.43Å; N940-D942 PolarHBondContact OD1-N 3.23Å | ||
| 941 | I | 38 | Very low | 35.8 | Very low | 59 Ų | 59 | 99.8 Ų | 99.8 | 30% | 0.303 | 58% | 0.575 | S | S | . | * | trans | -78.4 | -5.1 | -176.7 | -59.8 | 166.2 | 0 | 0 | 0 | 111.5 | K841 L939 T943 | K841-I941 HydrophobicContact CB-CD1 4.47Å; L939-I941 PolarHBondContact O-N 3.12Å; I941-T943 PolarHBondContact O-N 3.46Å | ||
| 942 | D | 35 | Very low | 35 | Very low | 95 Ų | 95 | 104 Ų | 104 | 51% | 0.508 | 59% | 0.592 | S | S | . | * | trans | -82.8 | 30.4 | -173.3 | -64.6 | -18.6 | 0 | 0 | 0 | 114.1 | K841 N940 | K841-D942 IonicContact NZ-OD1 2.66Å; N940-D942 PolarHBondContact O-N 3.43Å; N940-D942 PolarHBondContact OD1-N 3.23Å | ||
| 943 | T | 38 | Very low | 34.6 | Very low | 97 Ų | 97 | 108.5 Ų | 108.5 | 60% | 0.595 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -132.9 | 130.1 | 162.8 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | I941 L945 | I941-T943 PolarHBondContact O-N 3.46Å; T943-L945 PolarHBondContact O-N 3.13Å |
| 944 | D | 36.2 | Very low | 33.9 | Very low | 165 Ų | 165 | 113.3 Ų | 113.3 | 88% | 0.882 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 71.7 | 14.7 | 168.4 | -49.3 | -25.9 | 0 | 0 | 0 | 119 | ||
| 945 | L | 32.7 | Very low | 33.1 | Very low | 112 Ų | 112 | 117.3 Ų | 117.3 | 59% | 0.586 | 66% | 0.655 | S | S | * | * | trans | -126.8 | 75.3 | 163.2 | -82.7 | 99.7 | 0 | 0 | 0 | 113.5 | T943 L947 | T943-L945 PolarHBondContact O-N 3.13Å; L945-L947 VanDerWaalsContact C-N 3.33Å; L945-L947 HydrophobicContact CD2-CD1 3.93Å; L945-L947 HydrophobicContact CD2-CG 4.45Å; L945-L947 PolarHBondContact O-N 3.15Å | ||
| 946 | D | 36.7 | Very low | 32.5 | Very low | 167 Ų | 167 | 120 Ų | 120 | 89% | 0.893 | 67% | 0.67 | S | S | * | * | trans | -70.2 | 87 | 161.4 | -83.3 | -26.5 | 0 | 0 | 0 | 110.3 | ||||
| 947 | L | 30.3 | Very low | 31.9 | Very low | 137 Ų | 137 | 124.7 Ų | 124.7 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | trans | -104.9 | 39.8 | 172.2 | -74.3 | 178 | 0 | 0 | 0 | 112.5 | L945 | L945-L947 VanDerWaalsContact C-N 3.33Å; L945-L947 HydrophobicContact CD2-CD1 3.93Å; L945-L947 HydrophobicContact CD2-CG 4.45Å; L945-L947 PolarHBondContact O-N 3.15Å | ||
| 948 | D | 28.9 | Very low | 31.1 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 89% | 0.893 | 69% | 0.692 | S | S | * | * | trans | -111.7 | 112.4 | 171 | -86.9 | -49.8 | 0 | 0 | 0 | 110.1 | ||||
| 949 | G | 29.6 | Very low | 30.4 | Very low | 64 Ų | 64 | 124.1 Ų | 124.1 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | trans | -154.5 | 19.8 | -162.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 950 | S | 29.4 | Very low | 29.9 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 71% | 0.707 | S | S | * | * | trans | 67.9 | 155.6 | 172.6 | 83.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 951 | E | 26.5 | Very low | 29.3 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | cis | -159.8 | 157.9 | -17.6 | -122.7 | 178 | -127.4 | 0 | 0 | 110.2 | ||||
| 952 | N | 26.1 | Very low | 28.5 | Very low | 126 Ų | 126 | 131 Ų | 131 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | trans | 50.1 | 106 | 154.4 | -49.2 | -32.3 | 0 | 0 | 0 | 120.6 | ||||
| 953 | L | 28.9 | Very low | 28 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | -156.1 | 114.8 | 115.9 | -137.4 | 78.4 | 0 | 0 | 0 | 111.1 | |||||
| 954 | D | 26.1 | Very low | 27.3 | Very low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -78.5 | 141.5 | 163.9 | -77 | -59.9 | 0 | 0 | 0 | 109.8 | ||||
| 955 | D | 27 | Very low | 26.8 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -163.9 | 138.4 | 134.4 | -132.3 | -30.3 | 0 | 0 | 0 | 113.9 | ||||
| 956 | C | 24 | Very low | 26.4 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | trans | 55.8 | 139.8 | 161.6 | -66.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 957 | L | 24.9 | Very low | 25.8 | Very low | 152 Ų | 152 | 136 Ų | 136 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | cis | -158.7 | 149.1 | -7.5 | -104.8 | 167 | 0 | 0 | 0 | 108 | ||||
| 958 | P | 24.1 | Very low | 25.5 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | trans | -89.5 | 150.4 | -179.3 | 35.2 | -32.9 | 0 | 0 | 0 | 113.1 | ||||
| 959 | V | 26.2 | Very low | 25.4 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | trans | -114.9 | 133.9 | 160.9 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 960 | V | 22.6 | Very low | 25.1 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | trans | -108 | 128.9 | -172.9 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 961 | E | 24.6 | Very low | 24.8 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -160.5 | 98.7 | 148.8 | -106.9 | 159.3 | -155 | 0 | 0 | 106 | ||||
| 962 | S | 21.5 | Very low | 24.8 | Very low | 82 Ų | 82 | 145.3 Ų | 145.3 | 57% | 0.573 | 76% | 0.764 | S | S | * | * | 51.2 | 106.6 | 76.1 | 74.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 963 | D | 24.8 | Very low | 24.7 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | -161.2 | 147.3 | 61.1 | -99.8 | -30.8 | 0 | 0 | 0 | 116.8 | |||||
| 964 | Q | 22.7 | Very low | 24.4 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 31.3 | 122.5 | 132.8 | -54.9 | 169.1 | 59.8 | 0 | 0 | 119.8 | ||||
| 965 | Y | 26.2 | Very low | 24.3 | Very low | 222 Ų | 222 | 145 Ų | 145 | 87% | 0.871 | 76% | 0.758 | S | S | * | * | -154 | 139.9 | 106.4 | -114.4 | -78.5 | 0 | 0 | 0 | 112.6 | |||||
| 966 | T | 24.2 | Very low | 24 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 64% | 0.638 | 77% | 0.767 | S | S | * | * | trans | -56.7 | 148.5 | -176.2 | 36.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 967 | D | 22.8 | Very low | 23.9 | Very low | 139 Ų | 139 | 152.5 Ų | 152.5 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | cis | 78.5 | 146.7 | 48.9 | -176.7 | 43.5 | 0 | 0 | 0 | 114.4 | ||||
| 968 | K | 25.1 | Very low | 23.8 | Very low | 187 Ų | 187 | 152.3 Ų | 152.3 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 88.4 | 138.4 | -158.8 | -56.6 | 154.6 | -170.7 | 167.8 | 0 | 113.4 | ||||
| 969 | S | 26.2 | Very low | 23.7 | Very low | 113 Ų | 113 | 156 Ų | 156 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | cis | -139.4 | 129 | 6.7 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 970 | Q | 23.9 | Very low | 23.5 | Very low | 178 Ų | 178 | 155.6 Ų | 155.6 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -71.6 | 177.8 | 154.8 | -64.4 | 177.9 | -16.5 | 0 | 0 | 110.7 | ||||
| 971 | Q | 23.3 | Very low | 23.5 | Very low | 180 Ų | 180 | 157.9 Ų | 157.9 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | 81.2 | 88.2 | 169.1 | -53 | -177.9 | -9.6 | 0 | 0 | 117.5 | ||||
| 972 | E | 25.3 | Very low | 23.3 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | -149.9 | 107.2 | 114.6 | -109.3 | 166.4 | -165 | 0 | 0 | 108.2 | |||||
| 973 | Q | 24.1 | Very low | 23.3 | Very low | 151 Ų | 151 | 154.8 Ų | 154.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | 67.1 | 100.3 | 102.1 | -68.1 | 175.3 | 52.4 | 0 | 0 | 112.2 | |||||
| 974 | Q | 23 | Very low | 23.3 | Very low | 181 Ų | 181 | 156.2 Ų | 156.2 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | 63.2 | 133.4 | 82.1 | -70.6 | -175.3 | -22.6 | 0 | 0 | 114 | |||||
| 975 | T | 23 | Very low | 23.3 | Very low | 121 Ų | 121 | 156.3 Ų | 156.3 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | 85.1 | 88 | 178.2 | -37.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 976 | Y | 21.7 | Very low | 23.1 | Very low | 230 Ų | 230 | 152.2 Ų | 152.2 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | -153 | 94.7 | 115 | -110.7 | -71.3 | 0 | 0 | 0 | 110.7 | |||||
| 977 | H | 22.4 | Very low | 23.1 | Very low | 160 Ų | 160 | 153.6 Ų | 153.6 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -77.2 | 150.3 | 168.2 | -111.8 | -111.9 | 0 | 0 | 0 | 110.1 | ||||
| 978 | E | 22 | Very low | 23.2 | Very low | 149 Ų | 149 | 154.8 Ų | 154.8 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | trans | 59.1 | 141.1 | 152 | -64 | 177.2 | -175.9 | 0 | 0 | 120.6 | ||||
| 979 | K | 21.9 | Very low | 23.2 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | 68.7 | 117.9 | 175.4 | -39.7 | 157.6 | -171.8 | 163.2 | 0 | 111.9 | ||||
| 980 | L | 21.9 | Very low | 23 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | -145.3 | 109.3 | 67.1 | -118.7 | 72.7 | 0 | 0 | 0 | 111.9 | S982 | L980-S982 WeakPolarHBondContact CD2-O 3.33Š| |||
| 981 | L | 22.2 | Very low | 23 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -66.2 | 144.5 | 134.5 | -104.6 | 69.9 | 0 | 0 | 0 | 107.6 | ||
| 982 | S | 20.6 | Very low | 23 | Very low | 84 Ų | 84 | 145.1 Ų | 145.1 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 70.5 | 145.3 | 168.9 | 77.3 | 0 | 0 | 0 | 0 | 118.8 | L980 | L980-S982 WeakPolarHBondContact CD2-O 3.33Š|
| 983 | N | 22.2 | Very low | 23 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 63% | 0.631 | 74% | 0.741 | S | S | * | * | trans | 82.5 | 95.8 | 157.9 | -58 | -35 | 0 | 0 | 0 | 120.8 | ||||
| 984 | Q | 23.6 | Very low | 23 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | 77.1 | 117.7 | 116.4 | -72 | 176.6 | -8.7 | 0 | 0 | 121.2 | |||||
| 985 | Q | 23.2 | Very low | 23.1 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | 80.6 | 135 | 128 | -72.9 | -175.7 | -4.2 | 0 | 0 | 121.4 | |||||
| 986 | I | 22.3 | Very low | 23 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | trans | 69.6 | 124.2 | 139.6 | -68.7 | 168.6 | 0 | 0 | 0 | 116.5 | ||||
| 987 | H | 24.3 | Very low | 23 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 62% | 0.616 | 71% | 0.714 | S | S | * | * | cis | -175.8 | 146.6 | -9.9 | -134.3 | -22.5 | 0 | 0 | 0 | 109.9 | ||||
| 988 | K | 24.9 | Very low | 23 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | 64.8 | 154.6 | 152.2 | -72.5 | 152.8 | 176.1 | 150.9 | 0 | 117.3 | ||||
| 989 | S | 24.4 | Very low | 23 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | cis | -176.8 | 163.3 | -22.5 | 53 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 990 | V | 23.2 | Very low | 23.1 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | S | Bend | cis | -150.1 | 143 | 26.2 | 172.7 | 0 | 0 | 0 | 0 | 106.2 | ||
| 991 | S | 24 | Very low | 23.2 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | cis | -148.7 | 161 | -1.9 | -140.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 992 | V | 23.1 | Very low | 23.1 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 70% | 0.703 | 70% | 0.703 | S | S | * | * | trans | -145.2 | 146.1 | 161.4 | 170.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 993 | R | 24.3 | Very low | 23.3 | Very low | 243 Ų | 243 | 132.5 Ų | 132.5 | 92% | 0.917 | 71% | 0.712 | S | S | * | * | trans | -133.8 | 70.8 | 174.7 | -151.8 | 177.2 | -164.7 | -175 | 3.2 | 112.8 | ||||
| 994 | N | 25.3 | Very low | 23.4 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 55% | 0.545 | 72% | 0.723 | S | S | . | * | trans | -64.3 | 159.7 | 163.6 | -67.9 | -20.6 | 0 | 0 | 0 | 110.5 | I996 | N994-I996 HydrophobicContact CB-CB 4.21Å; N994-I996 HydrophobicContact CB-CD1 3.97Å; N994-I996 HydrophobicContact CB-CG1 3.87Å; N994-I996 WeakPolarHBondContact ND2-CD1 3.49Å | ||
| 995 | P | 23.5 | Very low | 23.3 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | -115.9 | 149 | 79.8 | -0.6 | 21.7 | 0 | 0 | 0 | 111.7 | |||||
| 996 | I | 22.2 | Very low | 23.4 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 62% | 0.621 | 73% | 0.729 | S | S | * | * | cis | 63.8 | 116 | 21.7 | -66.4 | -179.6 | 0 | 0 | 0 | 115.5 | N994 | N994-I996 HydrophobicContact CB-CB 4.21Å; N994-I996 HydrophobicContact CB-CD1 3.97Å; N994-I996 HydrophobicContact CB-CG1 3.87Å; N994-I996 WeakPolarHBondContact ND2-CD1 3.49Å | ||
| 997 | C | 21.4 | Very low | 23.5 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | trans | 63 | 133.4 | 163.9 | -70.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 998 | M | 22.2 | Very low | 23.4 | Very low | 154 Ų | 154 | 132 Ų | 132 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | -154.2 | 84.5 | 92.3 | -89.3 | -57.6 | -98.5 | 0 | 0 | 111.3 | H1000 | M998-H1000 HydrophobicContact CE-CB 4.01Å; M998-H1000 PolarHBondContact O-N 2.97Å | |||
| 999 | S | 22.5 | Very low | 23.3 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | -86.2 | 81.8 | 162.2 | 56.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1000 | H | 23.9 | Very low | 23.3 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 60% | 0.597 | 74% | 0.744 | S | S | * | * | trans | -135.6 | 114.2 | 179.8 | -98.4 | -77.6 | 0 | 0 | 0 | 112.7 | M998 | M998-H1000 HydrophobicContact CE-CB 4.01Å; M998-H1000 PolarHBondContact O-N 2.97Å | ||
| 1001 | S | 23 | Very low | 23.3 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -66.5 | 164.5 | 144.1 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1002 | I | 22 | Very low | 23.2 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 67% | 0.672 | 75% | 0.747 | S | S | * | * | trans | 97.2 | 120.6 | -152 | -63.2 | 159 | 0 | 0 | 0 | 109.2 | ||||
| 1003 | D | 24.1 | Very low | 23.3 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | cis | -148.5 | 168.1 | 5.5 | -135.6 | -22.8 | 0 | 0 | 0 | 115.6 | ||||
| 1004 | H | 23.5 | Very low | 23.2 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | trans | -97.5 | 91.5 | -171.1 | -147.9 | -85.3 | 0 | 0 | 0 | 112.2 | ||||
| 1005 | S | 22.9 | Very low | 23.2 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | -162.7 | 164.3 | 164.5 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1006 | L | 25.3 | Very low | 23.1 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | 54.9 | 71 | 178.8 | -52.6 | 179.4 | 0 | 0 | 0 | 115.1 | ||||
| 1007 | C | 22.4 | Very low | 23.2 | Very low | 106 Ų | 106 | 136 Ų | 136 | 72% | 0.716 | 73% | 0.731 | S | S | * | * | cis | 58.3 | 107.4 | 27.9 | -142.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1008 | T | 23.7 | Very low | 23.2 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | 62.2 | 90.1 | 157.4 | 56.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1009 | C | 22.2 | Very low | 23.3 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | 172.1 | 138 | 131.7 | -88.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 1010 | F | 23.5 | Very low | 23.4 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | cis | -126.9 | 140.7 | 7.9 | -66 | -103.2 | 0 | 0 | 0 | 108.8 | ||||
| 1011 | K | 24.5 | Very low | 23.4 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | 55.6 | 100.1 | 71.3 | -84 | -174.9 | 176.1 | 175.6 | 0 | 115.9 | |||||
| 1012 | K | 22.7 | Very low | 23.4 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 79% | 0.787 | 75% | 0.752 | S | S | * | * | trans | 11.9 | 137.4 | 137.6 | -76.9 | 175.9 | 177.4 | 170.6 | 0 | 117.8 | ||||
| 1013 | P | 24.9 | Very low | 23.6 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | -125.5 | 157.5 | 67.2 | 40.9 | -32.9 | 0 | 0 | 0 | 112.4 | |||||
| 1014 | K | 21.9 | Very low | 23.6 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | cis | 76.2 | 133.4 | 17.9 | -149.7 | -174.1 | 175.4 | -104.8 | 0 | 116 | ||||
| 1015 | E | 24.4 | Very low | 23.7 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 72.7 | 140.5 | 178.2 | -70 | 137.8 | -134.4 | 0 | 0 | 115.3 | ||||
| 1016 | S | 22.6 | Very low | 23.7 | Very low | 79 Ų | 79 | 141.8 Ų | 141.8 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | cis | -173.4 | 171.1 | -13 | 44.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1017 | F | 23.5 | Very low | 23.7 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 56% | 0.561 | 73% | 0.725 | S | S | * | * | trans | 77 | 88.4 | 170.2 | -70.3 | -89.5 | 0 | 0 | 0 | 119.3 | N1019 F1240 | F1017-N1019 HydrophobicContact CD1-CB 4.15Å; F1017-F1240 HydrophobicContact CD1-CE1 4.39Å; F1017-F1240 HydrophobicContact CD2-CD1 4.31Å; F1017-F1240 AromaticContact CD2-CE1 3.6Å; F1017-F1240 HydrophobicContact CD2-CE1 3.6Å; F1017-F1240 AromaticContact CD2-CE2 3.86Å; F1017-F1240 HydrophobicContact CD2-CE2 3.86Å; F1017-F1240 AromaticContact CD2-CZ 3.33Å; F1017-F1240 HydrophobicContact CD2-CZ 3.33Å; F1017-F1240 HydrophobicContact CE1-CE1 4.03Å; F1017-F1240 AromaticContact CE2-CD1 3.49Å; F1017-F1240 HydrophobicContact CE2-CD1 3.49Å; F1017-F1240 VanDerWaalsContact CE2-CD1 3.49Å; F1017-F1240 HydrophobicContact CE2-CD2 4.14Å; F1017-F1240 AromaticContact CE2-CE1 3.17Å; F1017-F1240 HydrophobicContact CE2-CE1 3.17Å; F1017-F1240 AromaticContact CE2-CE2 3.87Å; F1017-F1240 HydrophobicContact CE2-CE2 3.87Å; F1017-F1240 AromaticContact CE2-CG 3.98Å; F1017-F1240 HydrophobicContact CE2-CG 3.98Å; F1017-F1240 AromaticContact CE2-CZ 3.39Å; F1017-F1240 HydrophobicContact CE2-CZ 3.39Å; F1017-F1240 HydrophobicContact CG-CE1 4.21Å; F1017-F1240 HydrophobicContact CG-CZ 4.02Å; F1017-F1240 AromaticContact CZ-CD1 3.67Å; F1017-F1240 HydrophobicContact CZ-CD1 3.67Å; F1017-F1240 AromaticContact CZ-CE1 3.42Å; F1017-F1240 HydrophobicContact CZ-CE1 3.42Å; F1017-F1240 VanDerWaalsContact CZ-CE1 3.42Å; F1017-F1240 HydrophobicContact CZ-CZ 4.08Å | ||
| 1018 | E | 21.5 | Very low | 23.8 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 93% | 0.925 | 73% | 0.729 | S | S | * | * | -104.1 | 138.9 | 122 | -72.5 | -178.3 | 140.7 | 0 | 0 | 107.6 | |||||
| 1019 | N | 23.7 | Very low | 23.8 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 68% | 0.684 | 73% | 0.726 | S | S | * | * | trans | -165.3 | 129.3 | 175.5 | -150.2 | 25.6 | 0 | 0 | 0 | 110.2 | F1017 | F1017-N1019 HydrophobicContact CD1-CB 4.15Š| ||
| 1020 | S | 24.5 | Very low | 23.9 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | 59.4 | 136.8 | 169.4 | 52.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1021 | T | 24.1 | Very low | 23.9 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 85% | 0.847 | 72% | 0.724 | S | S | * | * | cis | -161.3 | 145.4 | -3.4 | 8.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1022 | E | 24.3 | Very low | 24 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | -78.4 | 156.2 | 162.2 | -56.4 | 168.8 | 125.5 | 0 | 0 | 111.8 | ||||
| 1023 | T | 25.3 | Very low | 24.1 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | 162.3 | 150.7 | 147.6 | 29.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1024 | F | 25 | Very low | 24.1 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 74% | 0.737 | 73% | 0.731 | S | S | * | * | cis | -161.8 | 174 | 5.9 | -122 | -31.6 | 0 | 0 | 0 | 106.5 | ||||
| 1025 | I | 25.6 | Very low | 24.2 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | cis | -144.1 | 151.4 | 23.6 | -65 | -179.2 | 0 | 0 | 0 | 110.1 | ||||
| 1026 | H | 23.1 | Very low | 24.2 | Very low | 133 Ų | 133 | 147 Ų | 147 | 62% | 0.616 | 75% | 0.747 | S | S | * | * | trans | -12.4 | 157.3 | 154.7 | -67.2 | -97 | 0 | 0 | 0 | 120.3 | ||||
| 1027 | T | 25.1 | Very low | 24.3 | Very low | 95 Ų | 95 | 147.9 Ų | 147.9 | 58% | 0.583 | 75% | 0.753 | S | S | * | * | -172.8 | 147.6 | 56.4 | -26.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1028 | K | 23.8 | Very low | 24.2 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | 69.5 | 151.6 | 161.8 | -69.6 | 168.9 | -177.9 | 173.3 | 0 | 115.9 | ||||
| 1029 | L | 23.5 | Very low | 24.2 | Very low | 135 Ų | 135 | 155.3 Ų | 155.3 | 71% | 0.707 | 77% | 0.771 | S | S | * | * | cis | -156 | 159.9 | -6.1 | -106.7 | 159.5 | 0 | 0 | 0 | 110.7 | ||||
| 1030 | Y | 24.9 | Very low | 24 | Very low | 203 Ų | 203 | 160.8 Ų | 160.8 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | 51.9 | 88.3 | 163.1 | -79.4 | -74.8 | 0 | 0 | 0 | 123.1 | ||||
| 1031 | D | 23.5 | Very low | 24 | Very low | 138 Ų | 138 | 163.6 Ų | 163.6 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | 46.4 | 91.2 | 112.3 | -163.5 | 20.6 | 0 | 0 | 0 | 121.7 | |||||
| 1032 | K | 26 | Very low | 24 | Very low | 202 Ų | 202 | 163.7 Ų | 163.7 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | -171.2 | 83 | 120.9 | -108.9 | -174.4 | -175.6 | -175.7 | 0 | 112.6 | |||||
| 1033 | S | 25.6 | Very low | 23.8 | Very low | 117 Ų | 117 | 164.6 Ų | 164.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -108.1 | 97.9 | -177.6 | 62 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1034 | L | 25.1 | Very low | 23.7 | Very low | 163 Ų | 163 | 164.7 Ų | 164.7 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -153.3 | 32.6 | 171.2 | -124.7 | 170.1 | 0 | 0 | 0 | 117.1 | ||||
| 1035 | I | 23.9 | Very low | 23.6 | Very low | 172 Ų | 172 | 163.5 Ų | 163.5 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -109.2 | 93.4 | 155.9 | -57.6 | -176.1 | 0 | 0 | 0 | 107.9 | ||||
| 1036 | K | 24.5 | Very low | 23.5 | Very low | 182 Ų | 182 | 161.4 Ų | 161.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -112.8 | 120.7 | 175.7 | -115.7 | -177.6 | 179.1 | 178.6 | 0 | 109.2 | ||||
| 1037 | S | 23.3 | Very low | 23.5 | Very low | 97 Ų | 97 | 163.1 Ų | 163.1 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | 43.8 | 103.3 | 152.3 | 58.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1038 | W | 21.5 | Very low | 23.5 | Very low | 263 Ų | 263 | 165.1 Ų | 165.1 | 100% | 0.996 | 79% | 0.79 | S | S | * | * | trans | -93.8 | 3.1 | 160.1 | -99.8 | 52.6 | 0 | 0 | 0 | 114.4 | ||||
| 1039 | Y | 21.8 | Very low | 23.4 | Very low | 219 Ų | 219 | 161.2 Ų | 161.2 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -83 | 122.4 | 166.9 | -88.2 | -87.7 | 0 | 0 | 0 | 111.3 | ||
| 1040 | R | 20.4 | Very low | 23.3 | Very low | 244 Ų | 244 | 160.2 Ų | 160.2 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 81.3 | 79.1 | 177.6 | -58.1 | -174.7 | 171.7 | -142.9 | 0.9 | 118 | ||
| 1041 | L | 23.5 | Very low | 23.3 | Very low | 160 Ų | 160 | 159.7 Ų | 159.7 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -164 | 142 | 143.3 | -94.9 | 158 | 0 | 0 | 0 | 104.5 | ||||
| 1042 | N | 23.6 | Very low | 23.3 | Very low | 141 Ų | 141 | 160.4 Ų | 160.4 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | cis | -123.5 | 152.4 | 18 | -71.3 | -42.9 | 0 | 0 | 0 | 113.8 | ||||
| 1043 | F | 20.7 | Very low | 23.1 | Very low | 197 Ų | 197 | 156.6 Ų | 156.6 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -142.6 | 127.2 | 164.8 | -153.7 | -71.2 | 0 | 0 | 0 | 105.4 | ||||
| 1044 | L | 22.5 | Very low | 23 | Very low | 124 Ų | 124 | 158 Ų | 158 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | 69.2 | 136.3 | -159.6 | -40 | 170.4 | 0 | 0 | 0 | 110.2 | ||||
| 1045 | D | 24 | Very low | 23 | Very low | 143 Ų | 143 | 155.7 Ų | 155.7 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | cis | -154.9 | 174.4 | 34.9 | -92.1 | -49.6 | 0 | 0 | 0 | 109.9 | ||||
| 1046 | S | 23.1 | Very low | 23 | Very low | 77 Ų | 77 | 154.7 Ų | 154.7 | 54% | 0.538 | 75% | 0.752 | S | S | . | * | cis | -177.4 | 141.5 | -33.3 | -97.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1047 | F | 23.3 | Very low | 23 | Very low | 170 Ų | 170 | 151.4 Ų | 151.4 | 75% | 0.746 | 74% | 0.743 | S | S | * | * | trans | 68.3 | 167.8 | 159.4 | -68.5 | -141.6 | 0 | 0 | 0 | 115.1 | I1049 | F1047-I1049 HydrophobicContact CD1-CD1 3.33Å; F1047-I1049 HydrophobicContact CD1-CG1 4.26Å; F1047-I1049 HydrophobicContact CE1-CD1 3.53Å; F1047-I1049 HydrophobicContact CG-CD1 4.1Å; F1047-I1049 HydrophobicContact CZ-CD1 4.43Å | ||
| 1048 | D | 24.6 | Very low | 22.9 | Very low | 136 Ų | 136 | 151.8 Ų | 151.8 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | cis | -113.2 | 155.9 | -0.8 | -85.4 | -54.6 | 0 | 0 | 0 | 110.8 | ||||
| 1049 | I | 22.1 | Very low | 22.9 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 53% | 0.528 | 73% | 0.732 | S | S | . | * | cis | 72.5 | 93.8 | 42.4 | -46.9 | 178.5 | 0 | 0 | 0 | 115.2 | F1047 | F1047-I1049 HydrophobicContact CD1-CD1 3.33Å; F1047-I1049 HydrophobicContact CD1-CG1 4.26Å; F1047-I1049 HydrophobicContact CE1-CD1 3.53Å; F1047-I1049 HydrophobicContact CG-CD1 4.1Å; F1047-I1049 HydrophobicContact CZ-CD1 4.43Å | ||
| 1050 | N | 22 | Very low | 22.9 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 61% | 0.61 | 72% | 0.719 | S | S | * | * | 172.5 | 122.7 | 113.9 | -96.4 | -64.6 | 0 | 0 | 0 | 113.8 | Q1052 | N1050-Q1052 PolarHBondContact OD1-NE2 3.33Š| |||
| 1051 | E | 24 | Very low | 23.1 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 89% | 0.893 | 71% | 0.71 | S | S | * | * | trans | 169.5 | 84.6 | 137.5 | -97.3 | -171.7 | 173.9 | 0 | 0 | 105.2 | ||||
| 1052 | Q | 23.1 | Very low | 23.1 | Very low | 154 Ų | 154 | 134 Ų | 134 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | 37.1 | 103.6 | 70 | -65.9 | -162.1 | 56.5 | 0 | 0 | 113.2 | N1050 | N1050-Q1052 PolarHBondContact OD1-NE2 3.33Š| |||
| 1053 | V | 23 | Very low | 22.9 | Very low | 121 Ų | 121 | 134 Ų | 134 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | -179.3 | 118.2 | 120.1 | 145.8 | 0 | 0 | 0 | 0 | 109 | |||||
| 1054 | N | 23.2 | Very low | 23 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 78% | 0.781 | 69% | 0.693 | S | S | * | * | trans | 56.2 | 141.7 | 148.6 | -65.9 | -16.8 | 0 | 0 | 0 | 119.9 | ||||
| 1055 | V | 24.5 | Very low | 23.2 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 70% | 0.697 | 70% | 0.7 | S | S | * | * | cis | -158.7 | 162.5 | 3.4 | 97.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1056 | H | 23 | Very low | 23.2 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | trans | -5.4 | 148 | 141.6 | -77.5 | -21.7 | 0 | 0 | 0 | 117.6 | ||||
| 1057 | N | 24.6 | Very low | 23.2 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 60% | 0.604 | 71% | 0.707 | S | S | * | * | cis | -171.5 | 170.5 | 17.8 | -122.9 | -17.3 | 0 | 0 | 0 | 112 | ||||
| 1058 | T | 22.9 | Very low | 23.3 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 64% | 0.644 | 71% | 0.705 | S | S | * | * | trans | 49.3 | 119.3 | 147.5 | 56 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1059 | L | 21.3 | Very low | 23.3 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | 79.1 | 161.7 | 76.2 | -113.5 | 159.5 | 0 | 0 | 0 | 114.6 | |||||
| 1060 | T | 21.9 | Very low | 23.7 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 58% | 0.583 | 72% | 0.716 | S | S | * | * | trans | 65.9 | 106.4 | 163.3 | 48.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1061 | N | 23.8 | Very low | 23.8 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | 71.7 | 172.6 | 125.2 | -45.8 | -17 | 0 | 0 | 0 | 116.7 | |||||
| 1062 | I | 22.9 | Very low | 23.9 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 65% | 0.651 | 71% | 0.71 | S | S | * | * | cis | -158 | 159.1 | 6.9 | -146.8 | 153.2 | 0 | 0 | 0 | 110.4 | ||||
| 1063 | M | 21.2 | Very low | 24 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | trans | 50.2 | 116 | 160.1 | -69.7 | 176.7 | -67 | 0 | 0 | 118.7 | ||||
| 1064 | D | 22.4 | Very low | 24.1 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | 65 | 128.5 | 90.9 | -59.1 | -44.8 | 0 | 0 | 0 | 115.5 | |||||
| 1065 | T | 25.4 | Very low | 24.1 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | -172.9 | 129.5 | 114.3 | 17.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 1066 | T | 24.2 | Very low | 24.1 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 67% | 0.669 | 70% | 0.7 | S | S | * | * | trans | 50 | 125 | 147.7 | 53.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1067 | N | 22.9 | Very low | 24 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | 55.1 | 135.6 | 78.2 | -50 | -15.8 | 0 | 0 | 0 | 111.7 | |||||
| 1068 | I | 26.2 | Very low | 24 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 72% | 0.723 | 71% | 0.705 | S | S | * | * | -154.4 | 149.7 | 55 | -76.6 | 172.1 | 0 | 0 | 0 | 111.1 | |||||
| 1069 | E | 24.1 | Very low | 23.9 | Very low | 157 Ų | 157 | 132.7 Ų | 132.7 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -1.2 | 149.3 | 142.5 | -48.9 | 162.3 | 126.6 | 0 | 0 | 117.4 | ||||
| 1070 | D | 30.6 | Very low | 24 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | cis | -142.9 | 136.2 | 48.3 | -94.3 | -42.9 | 0 | 0 | 0 | 111.7 | ||||
| 1071 | N | 24.2 | Very low | 24.2 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | 65.8 | 128.2 | 76.8 | -72.2 | -57.1 | 0 | 0 | 0 | 116.5 | |||||
| 1072 | S | 26.9 | Very low | 24.1 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | trans | 99.9 | 141.5 | 149.5 | 89.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1073 | K | 25.7 | Very low | 24 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | cis | -162.1 | 130.5 | -14 | -117.8 | 169.3 | -167.5 | 161 | 0 | 111.6 | ||||
| 1074 | I | 23.8 | Very low | 24.1 | Very low | 129 Ų | 129 | 135 Ų | 135 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | 61.7 | 134.8 | 123.6 | -74.2 | -175.4 | 0 | 0 | 0 | 119.8 | |||||
| 1075 | K | 23.1 | Very low | 24.1 | Very low | 171 Ų | 171 | 135 Ų | 135 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | 78.1 | 150.6 | 156.6 | -77.4 | 172.2 | 173.1 | -151.5 | 0 | 118.9 | ||||
| 1076 | Q | 24.4 | Very low | 24 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 56% | 0.561 | 73% | 0.734 | S | S | * | * | cis | -157.3 | -174.8 | -13.1 | -131.7 | 168.7 | -40.7 | 0 | 0 | 113.1 | ||||
| 1077 | E | 21.7 | Very low | 24.1 | Very low | 160 Ų | 160 | 130.7 Ų | 130.7 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -30.7 | 151.5 | 158.7 | -55.2 | 114.2 | -143.1 | 0 | 0 | 115.4 | ||||
| 1078 | G | 24.1 | Very low | 24.2 | Very low | 64 Ų | 64 | 132.6 Ų | 132.6 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | cis | 152 | -171.9 | -1.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1079 | T | 21.9 | Very low | 24.1 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 58.6 | 131.6 | 155.5 | 48 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1080 | H | 22.6 | Very low | 24.1 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 82% | 0.819 | 74% | 0.736 | S | S | * | * | trans | 80.6 | 158.5 | 141.5 | -80.8 | -53.7 | 0 | 0 | 0 | 120.1 | ||||
| 1081 | P | 27.3 | Very low | 23.7 | Very low | 94 Ų | 94 | 129 Ų | 129 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | trans | -135.1 | -156.1 | -137.9 | 43.3 | -22.9 | 0 | 0 | 0 | 113.5 | ||||
| 1082 | Q | 21.7 | Very low | 23.5 | Very low | 172 Ų | 172 | 129 Ų | 129 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | 69.5 | 116.7 | 158 | -77.3 | 173.1 | -30.6 | 0 | 0 | 118.7 | ||||
| 1083 | S | 20.7 | Very low | 23.4 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | 86.2 | 160.4 | 132.7 | 80.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1084 | L | 21.4 | Very low | 23.1 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 77.8 | 93.5 | 163 | -93.4 | 63.7 | 0 | 0 | 0 | 120.9 | ||||
| 1085 | V | 22.9 | Very low | 23 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 87% | 0.873 | 76% | 0.758 | S | S | * | * | 78.6 | 130.3 | 113.4 | 165.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1086 | G | 24.1 | Very low | 22.9 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | 107.6 | 120.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1087 | G | 26.9 | Very low | 22.8 | Very low | 65 Ų | 65 | 134.5 Ų | 134.5 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | cis | -139.8 | 162 | -9.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1088 | Q | 23.9 | Very low | 22.9 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | 51.1 | 129.9 | 80.7 | -64.6 | -174.4 | -73.9 | 0 | 0 | 113.2 | |||||
| 1089 | S | 25.3 | Very low | 23 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | cis | -132.2 | 140.8 | 23.2 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1090 | E | 22.4 | Very low | 22.9 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | 72.1 | 144 | 100.2 | -60.6 | 158 | -165.4 | 0 | 0 | 114.7 | |||||
| 1091 | C | 23 | Very low | 23 | Very low | 103 Ų | 103 | 138 Ų | 138 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | cis | -138 | 170.8 | 13.8 | -158.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1092 | S | 20.6 | Very low | 22.8 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -149.3 | 112.7 | 173 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1093 | E | 22.9 | Very low | 22.9 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -151.5 | 133.1 | 170.6 | -97.7 | 157.6 | -169.8 | 0 | 0 | 105.8 | ||||
| 1094 | Q | 21.2 | Very low | 22.9 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | cis | 62.1 | 66.5 | 40.1 | -63.7 | -161.3 | -5 | 0 | 0 | 115.3 | ||||
| 1095 | M | 21 | Very low | 22.9 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | -149.4 | 133.2 | 134.3 | -72 | -146.4 | 91.9 | 0 | 0 | 108.5 | ||||
| 1096 | L | 20.4 | Very low | 22.9 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | 67.1 | 84.3 | 68.7 | -105.8 | 165.6 | 0 | 0 | 0 | 114.2 | |||||
| 1097 | H | 23.8 | Very low | 22.8 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | 172.8 | 118.4 | 132.6 | -91.3 | -64.8 | 0 | 0 | 0 | 108.4 | ||||
| 1098 | N | 21.9 | Very low | 22.5 | Very low | 135 Ų | 135 | 147 Ų | 147 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | 49.8 | 101.2 | 93.4 | -77.2 | 18.7 | 0 | 0 | 0 | 114.8 | |||||
| 1099 | H | 26.2 | Very low | 22.4 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | -146.8 | 97 | 120.7 | -108 | -81.4 | 0 | 0 | 0 | 109.2 | E1101 | H1099-E1101 IonicContact CE1-OE1 3.19Å; H1099-E1101 PolarHBondContact CE1-OE1 3.45Å; H1099-E1101 IonicContact ND1-OE1 3.17Å; H1099-E1101 PolarHBondContact ND1-OE1 2.78Å | |||
| 1100 | N | 20.7 | Very low | 22.4 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | -86.7 | 116.4 | 154.5 | -79 | -1.7 | 0 | 0 | 0 | 106.5 | ||||
| 1101 | E | 25.2 | Very low | 22.3 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -133.7 | 113.5 | 155.3 | -66.9 | -176.1 | -169 | 0 | 0 | 103.3 | H1099 | H1099-E1101 IonicContact CE1-OE1 3.19Å; H1099-E1101 PolarHBondContact CE1-OE1 3.45Å; H1099-E1101 IonicContact ND1-OE1 3.17Å; H1099-E1101 PolarHBondContact ND1-OE1 2.78Å | ||
| 1102 | E | 22 | Very low | 22.4 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | 58.5 | 107 | 52.6 | -138.7 | -178.8 | -110.3 | 0 | 0 | 106.9 | |||||
| 1103 | Y | 23.4 | Very low | 22.5 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 73% | 0.725 | 75% | 0.748 | S | S | * | * | cis | -145.9 | 155.3 | 39.5 | -74.5 | -102.1 | 0 | 0 | 0 | 109.2 | ||||
| 1104 | V | 21.6 | Very low | 22.6 | Very low | 112 Ų | 112 | 146 Ų | 146 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | cis | 66 | 108.2 | 48.2 | -177.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1105 | T | 21.7 | Very low | 22.7 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | trans | 61.4 | 125.1 | 170.6 | 60.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1106 | N | 22.4 | Very low | 22.9 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | 170.2 | 140.8 | 103.9 | -86.9 | -55 | 0 | 0 | 0 | 113.6 | |||||
| 1107 | F | 21.8 | Very low | 23 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | trans | 34.6 | 113.1 | 149.5 | -69 | -95.4 | 0 | 0 | 0 | 119.7 | ||||
| 1108 | M | 21.2 | Very low | 23.1 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | 96 | 138.1 | 68.1 | -92.6 | -174.4 | 158.9 | 0 | 0 | 114.7 | |||||
| 1109 | D | 22.3 | Very low | 23.2 | Very low | 134 Ų | 134 | 142 Ų | 142 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | trans | 54.2 | 106.3 | 156 | -61.2 | 2.1 | 0 | 0 | 0 | 121.1 | ||||
| 1110 | S | 24.3 | Very low | 23.1 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | -156.5 | 106.5 | 141.6 | -77.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1111 | N | 21.3 | Very low | 23.4 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | trans | -81.5 | 145.5 | -179.6 | -70.9 | -59.8 | 0 | 0 | 0 | 112.9 | ||||
| 1112 | S | 24.3 | Very low | 23.5 | Very low | 121 Ų | 121 | 144 Ų | 144 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | -150.3 | 101.6 | 149.1 | 61.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1113 | N | 22.5 | Very low | 23.9 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 60% | 0.599 | 72% | 0.724 | S | S | * | * | trans | -75.7 | 155.8 | -176.7 | -61.1 | -23.4 | 0 | 0 | 0 | 113 | ||||
| 1114 | H | 25.9 | Very low | 24.2 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | -176.1 | 106.9 | 114.8 | -87.2 | -62.1 | 0 | 0 | 0 | 107.2 | |||||
| 1115 | N | 23.2 | Very low | 24.6 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 56% | 0.561 | 72% | 0.724 | S | S | * | * | 69.8 | 130.8 | 82 | -69.1 | 19.2 | 0 | 0 | 0 | 112.1 | |||||
| 1116 | C | 24.1 | Very low | 25.1 | Very low | 108 Ų | 108 | 138 Ų | 138 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | cis | -141.2 | 147 | 29.9 | -79.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1117 | Y | 23.6 | Very low | 25.4 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | 20.3 | 142.8 | 138.3 | -54 | -84.7 | 0 | 0 | 0 | 120.8 | ||||
| 1118 | Y | 24.9 | Very low | 26.2 | Very low | 219 Ų | 219 | 134.5 Ų | 134.5 | 86% | 0.859 | 70% | 0.7 | S | S | * | * | cis | -138.3 | 168.2 | 23.3 | -77.3 | -105 | 0 | 0 | 0 | 110.6 | ||||
| 1119 | S | 25.4 | Very low | 26.7 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | cis | -178.6 | 75.9 | -23.5 | -179.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1120 | E | 23.6 | Very low | 27.3 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | trans | -73.9 | 122.6 | 173.2 | -69.5 | -171.5 | 104.2 | 0 | 0 | 111.4 | ||||
| 1121 | D | 27.1 | Very low | 27.8 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | trans | -152.3 | 30.5 | -179.8 | -130.1 | -11.1 | 0 | 0 | 0 | 114.7 | ||||
| 1122 | K | 27.5 | Very low | 28.6 | Very low | 195 Ų | 195 | 128.8 Ų | 128.8 | 85% | 0.848 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -132.9 | -7.7 | 177.3 | -75.6 | -170.6 | 176.5 | 179.1 | 0 | 116.1 | ||
| 1123 | S | 29.3 | Very low | 28.9 | Very low | 56 Ų | 56 | 127.7 Ų | 127.7 | 39% | 0.392 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -87.8 | -27.3 | 179 | 47.1 | 0 | 0 | 0 | 0 | 113.4 | N1127 | S1123-N1127 PolarHBondContact O-ND2 3.13Å |
| 1124 | C | 29.3 | Very low | 29.4 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 64% | 0.642 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -81.1 | -40.8 | -175.8 | -76.2 | 0 | 0 | 0 | 0 | 114.5 | L1126 K1128 | C1124-L1126 VanDerWaalsContact C-N 3.35Å; C1124-L1126 PolarHBondContact O-N 3.09Å; C1124-K1128 VanDerWaalsContact O-CB 3.31Å; C1124-K1128 WeakPolarHBondContact O-CB 3.16Å; C1124-K1128 PolarHBondContact O-N 3.08Å |
| 1125 | E | 31.7 | Very low | 30 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 77% | 0.766 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.3 | -36 | 179.2 | -70.3 | -156.8 | 142 | 0 | 0 | 112.4 | K1128 F1129 | E1125-K1128 PolarHBondContact O-N 3Å; E1125-F1129 VanDerWaalsContact O-CB 3.29Å; E1125-F1129 WeakPolarHBondContact O-CB 3.38Å; E1125-F1129 PolarHBondContact O-N 2.86Å |
| 1126 | L | 30.3 | Very low | 30.2 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 57% | 0.565 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.5 | -46.3 | 178.5 | -172.3 | 67.5 | 0 | 0 | 0 | 111.9 | C1124 K1128 F1129 I1130 | C1124-L1126 VanDerWaalsContact C-N 3.35Å; C1124-L1126 PolarHBondContact O-N 3.09Å; L1126-K1128 VanDerWaalsContact C-N 3.32Å; L1126-K1128 PolarHBondContact O-N 3.46Å; L1126-F1129 PolarHBondContact O-N 2.87Å; L1126-I1130 HydrophobicContact CG-CD1 4.14Å; L1126-I1130 VanDerWaalsContact O-CG1 3.29Å; L1126-I1130 WeakPolarHBondContact O-CG1 3.5Å; L1126-I1130 PolarHBondContact O-N 3.46Å |
| 1127 | N | 30.7 | Very low | 30.4 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.2 | -36.6 | 177.2 | -75.2 | -56.4 | 0 | 0 | 0 | 111.9 | S1123 I1130 E1131 | S1123-N1127 PolarHBondContact O-ND2 3.13Å; N1127-I1130 PolarHBondContact O-N 3.31Å; N1127-E1131 PolarHBondContact O-N 2.91Å |
| 1128 | K | 38.4 | Very low | 30.5 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 55% | 0.548 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.4 | -36.6 | 175.2 | -164.4 | 174.1 | -173.5 | 177.6 | 0 | 112.8 | C1124 E1125 L1126 I1130 E1131 E1132 | C1124-K1128 VanDerWaalsContact O-CB 3.31Å; C1124-K1128 WeakPolarHBondContact O-CB 3.16Å; C1124-K1128 PolarHBondContact O-N 3.08Å; E1125-K1128 PolarHBondContact O-N 3Å; L1126-K1128 VanDerWaalsContact C-N 3.32Å; L1126-K1128 PolarHBondContact O-N 3.46Å; K1128-I1130 VanDerWaalsContact C-N 3.33Å; K1128-E1131 PolarHBondContact O-N 3.07Å; K1128-E1132 WeakPolarHBondContact O-CB 3.49Å; K1128-E1132 WeakPolarHBondContact O-CG 3.26Å; K1128-E1132 PolarHBondContact O-N 3.15Å |
| 1129 | F | 31.5 | Very low | 30.8 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 53% | 0.526 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.5 | -33.6 | 172 | -176.8 | -115.7 | 0 | 0 | 0 | 112 | E1125 L1126 L1133 | E1125-F1129 VanDerWaalsContact O-CB 3.29Å; E1125-F1129 WeakPolarHBondContact O-CB 3.38Å; E1125-F1129 PolarHBondContact O-N 2.86Å; L1126-F1129 PolarHBondContact O-N 2.87Å; F1129-L1133 HydrophobicContact CD1-CD1 3.84Å; F1129-L1133 HydrophobicContact CE1-CD1 3.55Å; F1129-L1133 HydrophobicContact CE1-CG 4.44Å; F1129-L1133 HydrophobicContact CE2-CD1 4.46Å; F1129-L1133 HydrophobicContact CG-CD1 4.42Å; F1129-L1133 HydrophobicContact CZ-CD1 3.89Å; F1129-L1133 HydrophobicContact CZ-CG 4.37Å; F1129-L1133 WeakPolarHBondContact O-CB 3.33Å; F1129-L1133 VanDerWaalsContact O-CG 3.26Å; F1129-L1133 WeakPolarHBondContact O-CG 3.23Å; F1129-L1133 PolarHBondContact O-N 3.14Å |
| 1130 | I | 33.6 | Very low | 31.1 | Very low | 69 Ų | 69 | 125 Ų | 125 | 35% | 0.354 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.6 | -45.7 | 172.2 | -69 | 164.1 | 0 | 0 | 0 | 110.7 | L1126 N1127 K1128 E1132 L1133 E1134 | L1126-I1130 HydrophobicContact CG-CD1 4.14Å; L1126-I1130 VanDerWaalsContact O-CG1 3.29Å; L1126-I1130 WeakPolarHBondContact O-CG1 3.5Å; L1126-I1130 PolarHBondContact O-N 3.46Å; N1127-I1130 PolarHBondContact O-N 3.31Å; K1128-I1130 VanDerWaalsContact C-N 3.33Å; I1130-E1132 VanDerWaalsContact C-N 3.32Å; I1130-E1132 PolarHBondContact O-N 3.2Å; I1130-L1133 PolarHBondContact O-N 3.47Å; I1130-L1133 VanDerWaalsContact O-N 3.12Å; I1130-E1134 HydrophobicContact CG2-CG 4.35Å; I1130-E1134 WeakPolarHBondContact O-CG 3.43Å; I1130-E1134 PolarHBondContact O-N 2.76Å |
| 1131 | E | 35.7 | Very low | 31.3 | Very low | 130 Ų | 130 | 122 Ų | 122 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -59.2 | -39.8 | 172.4 | -76.3 | -170 | 117.4 | 0 | 0 | 112.5 | N1127 K1128 L1133 N1135 | N1127-E1131 PolarHBondContact O-N 2.91Å; K1128-E1131 PolarHBondContact O-N 3.07Å; E1131-L1133 VanDerWaalsContact C-N 3.34Å; E1131-N1135 PolarHBondContact O-N 2.65Å; E1131-N1135 PolarHBondContact O-ND2 2.88Å |
| 1132 | E | 37.1 | Very low | 31.4 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 58% | 0.575 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.1 | -28.2 | 175.8 | -75.5 | -177.8 | -169.8 | 0 | 0 | 112.8 | K1128 I1130 F1136 | K1128-E1132 WeakPolarHBondContact O-CB 3.49Å; K1128-E1132 WeakPolarHBondContact O-CG 3.26Å; K1128-E1132 PolarHBondContact O-N 3.15Å; I1130-E1132 VanDerWaalsContact C-N 3.32Å; I1130-E1132 PolarHBondContact O-N 3.2Å; E1132-F1136 WeakPolarHBondContact O-CD2 3.28Å |
| 1133 | L | 31.8 | Very low | 31.6 | Very low | 98 Ų | 98 | 118 Ų | 118 | 51% | 0.513 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -77.7 | -42.7 | 174.2 | -79.1 | 170.2 | 0 | 0 | 0 | 113.1 | F1129 I1130 E1131 N1135 F1136 | F1129-L1133 HydrophobicContact CD1-CD1 3.84Å; F1129-L1133 HydrophobicContact CE1-CD1 3.55Å; F1129-L1133 HydrophobicContact CE1-CG 4.44Å; F1129-L1133 HydrophobicContact CE2-CD1 4.46Å; F1129-L1133 HydrophobicContact CG-CD1 4.42Å; F1129-L1133 HydrophobicContact CZ-CD1 3.89Å; F1129-L1133 HydrophobicContact CZ-CG 4.37Å; F1129-L1133 WeakPolarHBondContact O-CB 3.33Å; F1129-L1133 VanDerWaalsContact O-CG 3.26Å; F1129-L1133 WeakPolarHBondContact O-CG 3.23Å; F1129-L1133 PolarHBondContact O-N 3.14Å; I1130-L1133 PolarHBondContact O-N 3.47Å; I1130-L1133 VanDerWaalsContact O-N 3.12Å; E1131-L1133 VanDerWaalsContact C-N 3.34Å; L1133-N1135 PolarHBondContact O-N 3.16Å; L1133-F1136 PolarHBondContact O-N 2.92Å |
| 1134 | E | 33.4 | Very low | 31.5 | Very low | 162 Ų | 162 | 121.9 Ų | 121.9 | 76% | 0.757 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.7 | -17.2 | -178.9 | -70.4 | -167.4 | 151.7 | 0 | 0 | 113.2 | I1130 | I1130-E1134 HydrophobicContact CG2-CG 4.35Å; I1130-E1134 WeakPolarHBondContact O-CG 3.43Å; I1130-E1134 PolarHBondContact O-N 2.76Å |
| 1135 | N | 37 | Very low | 31.3 | Very low | 134 Ų | 134 | 122.5 Ų | 122.5 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 0.2 | 175.6 | -83.6 | -78 | 0 | 0 | 0 | 115 | E1131 L1133 S1137 | E1131-N1135 PolarHBondContact O-N 2.65Å; E1131-N1135 PolarHBondContact O-ND2 2.88Å; L1133-N1135 PolarHBondContact O-N 3.16Å; N1135-S1137 PolarHBondContact O-N 2.95Å |
| 1136 | F | 29 | Very low | 31.1 | Very low | 160 Ų | 160 | 120.1 Ų | 120.1 | 70% | 0.702 | 62% | 0.616 | S | S | * | * | trans | -78.2 | 103.7 | 178.6 | -97.9 | -85.8 | 0 | 0 | 0 | 113.4 | E1132 L1133 | E1132-F1136 WeakPolarHBondContact O-CD2 3.28Å; L1133-F1136 PolarHBondContact O-N 2.92Å | ||
| 1137 | S | 28.3 | Very low | 30.9 | Very low | 81 Ų | 81 | 121.9 Ų | 121.9 | 57% | 0.566 | 62% | 0.624 | S | S | * | * | trans | -66 | 141.4 | -175.5 | 60.4 | 0 | 0 | 0 | 0 | 114.5 | N1135 E1139 | N1135-S1137 PolarHBondContact O-N 2.95Å; S1137-E1139 VanDerWaalsContact C-N 3.29Å; S1137-E1139 PolarHBondContact O-N 2.81Å | ||
| 1138 | S | 25.6 | Very low | 30.7 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 8 | -158.8 | 43.5 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1139 | E | 30.2 | Very low | 30 | Very low | 167 Ų | 167 | 126.1 Ų | 126.1 | 78% | 0.78 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -23.7 | 177.3 | -66.4 | -168.9 | 125.1 | 0 | 0 | 114 | S1137 | S1137-E1139 VanDerWaalsContact C-N 3.29Å; S1137-E1139 PolarHBondContact O-N 2.81Å |
| 1140 | N | 31.8 | Very low | 29.7 | Very low | 110 Ų | 110 | 123 Ų | 123 | 59% | 0.588 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -11.6 | -172.9 | -82.5 | -42.8 | 0 | 0 | 0 | 115.4 | L1142 T1143 | N1140-L1142 VanDerWaalsContact C-N 3.33Å; N1140-T1143 PolarHBondContact O-OG1 3.4Å |
| 1141 | L | 28.9 | Very low | 29.4 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 58% | 0.581 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -75.5 | -20 | 175.8 | -84 | 163 | 0 | 0 | 0 | 113.2 | F1145 | L1141-F1145 HydrophobicContact CD2-CE2 4.06Å; L1141-F1145 VanDerWaalsContact O-CD2 3.3Å; L1141-F1145 WeakPolarHBondContact O-CD2 3.49Å |
| 1142 | L | 28.6 | Very low | 28.9 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -82.3 | -14.4 | -171.1 | -154.6 | 69.1 | 0 | 0 | 0 | 114.2 | N1140 | N1140-L1142 VanDerWaalsContact C-N 3.33Å |
| 1143 | T | 31.4 | Very low | 28.3 | Very low | 97 Ų | 97 | 135 Ų | 135 | 60% | 0.595 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -99 | -31 | -171.7 | 47.4 | 0 | 0 | 0 | 0 | 114.4 | N1140 | N1140-T1143 PolarHBondContact O-OG1 3.4Å |
| 1144 | N | 28.3 | Very low | 28 | Very low | 139 Ų | 139 | 138 Ų | 138 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -84.8 | -16 | -174.3 | -73 | -40 | 0 | 0 | 0 | 114.7 | N1146 | N1144-N1146 VanDerWaalsContact C-N 3.27Å; N1144-N1146 PolarHBondContact O-N 2.86Å |
| 1145 | F | 25.1 | Very low | 27.7 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 47% | 0.469 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81 | 30.2 | -173.8 | -82.2 | -52.7 | 0 | 0 | 0 | 116.2 | L1141 F1192 K1196 | L1141-F1145 HydrophobicContact CD2-CE2 4.06Å; L1141-F1145 VanDerWaalsContact O-CD2 3.3Å; L1141-F1145 WeakPolarHBondContact O-CD2 3.49Å; F1145-F1192 HydrophobicContact CD1-CE2 4.05Å; F1145-F1192 AromaticContact CD1-CZ 3.59Å; F1145-F1192 HydrophobicContact CD1-CZ 3.59Å; F1145-F1192 AromaticContact CE1-CE2 3.46Å; F1145-F1192 HydrophobicContact CE1-CE2 3.46Å; F1145-F1192 VanDerWaalsContact CE1-CE2 3.46Å; F1145-F1192 AromaticContact CE1-CZ 3.5Å; F1145-F1192 HydrophobicContact CE1-CZ 3.5Å; F1145-F1192 VanDerWaalsContact CE1-CZ 3.5Å; F1145-F1192 HydrophobicContact CZ-CE2 4.13Å; F1145-F1192 HydrophobicContact CZ-CZ 4.49Å; F1145-K1196 PolarHBondContact O-NZ 3.01Å |
| 1146 | N | 25.7 | Very low | 27.1 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.4 | 4.9 | -171.7 | -86.5 | -31 | 0 | 0 | 0 | 117.1 | N1144 K1196 | N1144-N1146 VanDerWaalsContact C-N 3.27Å; N1144-N1146 PolarHBondContact O-N 2.86Å; N1146-K1196 PolarHBondContact OD1-NZ 2.88Å |
| 1147 | I | 26.8 | Very low | 27 | Very low | 144 Ų | 144 | 140 Ų | 140 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -137.7 | 121.5 | -175.6 | -63.2 | 173.1 | 0 | 0 | 0 | 110.8 | ||
| 1148 | L | 25.8 | Very low | 26.8 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 80% | 0.801 | 73% | 0.727 | S | S | * | * | trans | 64.2 | 126.9 | 177.7 | -54.8 | 153.6 | 0 | 0 | 0 | 114.5 | ||||
| 1149 | D | 23.8 | Very low | 26.9 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 73% | 0.728 | S | S | * | * | cis | 55.4 | 94.5 | -1.5 | -158.6 | 11.4 | 0 | 0 | 0 | 117.6 | ||||
| 1150 | G | 26.8 | Very low | 26.6 | Very low | 55 Ų | 55 | 145.8 Ų | 145.8 | 57% | 0.567 | 73% | 0.732 | S | S | * | * | trans | 128 | 111.7 | 159 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1151 | R | 26.7 | Very low | 26.2 | Very low | 238 Ų | 238 | 151.7 Ų | 151.7 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | trans | 72.1 | 115.2 | 161 | -53.8 | 178.4 | -172.2 | -157.4 | -1.2 | 115.5 | ||||
| 1152 | Q | 25.5 | Very low | 26 | Very low | 174 Ų | 174 | 152.6 Ų | 152.6 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | 67.5 | 107 | 79.6 | -88.1 | -170 | -36.4 | 0 | 0 | 115.2 | |||||
| 1153 | E | 24.8 | Very low | 25.8 | Very low | 161 Ų | 161 | 154.5 Ų | 154.5 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 70.2 | 145.9 | 153.2 | -51.6 | -163.9 | 161.2 | 0 | 0 | 122.1 | ||||
| 1154 | Q | 25.6 | Very low | 25.5 | Very low | 161 Ų | 161 | 157.7 Ų | 157.7 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 80.4 | 123.6 | 157.8 | -41.5 | -160.3 | 13.5 | 0 | 0 | 120.2 | ||||
| 1155 | L | 26 | Very low | 25.3 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | 116.3 | 88.7 | 151.2 | -63.9 | 159.6 | 0 | 0 | 0 | 114.7 | ||||
| 1156 | K | 25.3 | Very low | 25.2 | Very low | 189 Ų | 189 | 158 Ų | 158 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | 58.1 | 51.4 | 75.6 | -64.6 | -177.3 | 173.2 | 169.9 | 0 | 115.9 | |||||
| 1157 | I | 25.8 | Very low | 25.2 | Very low | 167 Ų | 167 | 160 Ų | 160 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -123.9 | 145 | 143.8 | -71.3 | 91.3 | 0 | 0 | 0 | 107.2 | ||||
| 1158 | G | 25.2 | Very low | 25.1 | Very low | 66 Ų | 66 | 160.7 Ų | 160.7 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | 119.5 | -4.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | R1160 | G1158-R1160 VanDerWaalsContact C-N 3.31Å; G1158-R1160 PolarHBondContact O-N 3.47Å | ||
| 1159 | K | 26.4 | Very low | 25.1 | Very low | 188 Ų | 188 | 158.5 Ų | 158.5 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 80.3 | 175.1 | -78.1 | -159.3 | 170.9 | -157.9 | 0 | 112.7 | ||
| 1160 | R | 24.4 | Very low | 25.2 | Very low | 230 Ų | 230 | 158.6 Ų | 158.6 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.6 | -31 | 164.4 | -79.3 | -170.9 | 177.3 | 168 | 0.7 | 114.3 | G1158 L1162 | G1158-R1160 VanDerWaalsContact C-N 3.31Å; G1158-R1160 PolarHBondContact O-N 3.47Å; R1160-L1162 PolarHBondContact O-N 3.18Å |
| 1161 | Y | 23.9 | Very low | 25 | Very low | 233 Ų | 233 | 160.5 Ų | 160.5 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -97.6 | 57.1 | 177.3 | -71.1 | -90.1 | 0 | 0 | 0 | 112 | ||
| 1162 | L | 24.3 | Very low | 24.9 | Very low | 131 Ų | 131 | 152 Ų | 152 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | trans | -151.5 | 69.8 | 173.1 | -152.6 | 104.1 | 0 | 0 | 0 | 111.4 | R1160 | R1160-L1162 PolarHBondContact O-N 3.18Š| ||
| 1163 | K | 23.5 | Very low | 24.9 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | trans | -153.4 | 66 | 170.8 | -161.7 | -172 | 178.4 | -171 | 0 | 112.2 | ||||
| 1164 | N | 24.9 | Very low | 25 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | trans | -170.6 | 96 | 149.3 | -96.9 | -2 | 0 | 0 | 0 | 106.3 | ||||
| 1165 | T | 24.4 | Very low | 25.1 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 61% | 0.607 | 71% | 0.71 | S | S | * | * | trans | -135.3 | 97.2 | -177.5 | 49.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1166 | N | 24.4 | Very low | 25.2 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | trans | -153.4 | 98.8 | 165.8 | -94.7 | -3.2 | 0 | 0 | 0 | 104.8 | ||||
| 1167 | D | 25.3 | Very low | 25.3 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | trans | 161.4 | 65 | 163.1 | -85.9 | -14.2 | 0 | 0 | 0 | 108.7 | ||||
| 1168 | I | 25.2 | Very low | 25.4 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 82% | 0.821 | 67% | 0.669 | S | S | * | * | trans | -128.4 | 76.8 | 172.4 | -56.8 | -179.9 | 0 | 0 | 0 | 107.2 | ||||
| 1169 | S | 26 | Very low | 25.6 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | trans | -152.6 | 24.6 | -175.8 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1170 | R | 24.1 | Very low | 25.7 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 62% | 0.619 | 65% | 0.654 | S | S | * | * | trans | -137.8 | 84.7 | 168.8 | -86.3 | -175.9 | 166.4 | 176.6 | -3.9 | 110.1 | ||||
| 1171 | C | 24.4 | Very low | 26 | Very low | 95 Ų | 95 | 122.7 Ų | 122.7 | 64% | 0.642 | 64% | 0.637 | S | S | * | * | trans | -143.9 | 84.9 | 179.9 | -85.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1172 | N | 24.2 | Very low | 26.2 | Very low | 58 Ų | 58 | 114.6 Ų | 114.6 | 31% | 0.31 | 61% | 0.609 | S | S | . | * | trans | -152.6 | 103.6 | 168.3 | -119.8 | -23.5 | 0 | 0 | 0 | 106.4 | N295 N756 D757 | N295-N1172 PolarHBondContact OD1-O 3.15Å; N295-N1172 VanDerWaalsContact OD1-O 3.08Å; N756-N1172 HydrophobicContact CB-CB 4.13Å; D757-N1172 PolarHBondContact OD1-ND2 2.94Å; D757-N1172 PolarHBondContact OD2-ND2 3.29Å | ||
| 1173 | S | 25.2 | Very low | 26.4 | Very low | 26 Ų | 26 | 112.8 Ų | 112.8 | 18% | 0.182 | 60% | 0.598 | C | S | . | * | cis | -114.3 | 149.3 | 29.4 | 58.4 | 0 | 0 | 0 | 0 | 115.6 | T294 N295 | T294-S1173 WeakPolarHBondContact CB-OG 3.37Å; T294-S1173 WeakPolarHBondContact OG1-CB 3.45Å; T294-S1173 PolarHBondContact OG1-OG 3.16Å; N295-S1173 PolarHBondContact ND2-OG 2.95Å; N295-S1173 PolarHBondContact OD1-N 2.86Å | ||
| 1174 | L | 26 | Very low | 26.7 | Very low | 125 Ų | 125 | 106.8 Ų | 106.8 | 65% | 0.654 | 58% | 0.58 | S | S | * | * | trans | -98.4 | 11.4 | -175.8 | -129.7 | 152.6 | 0 | 0 | 0 | 113.7 | ||||
| 1175 | S | 29 | Very low | 27 | Very low | 82 Ų | 82 | 102.2 Ų | 102.2 | 57% | 0.573 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -84.4 | -37.8 | -177.1 | 48.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1176 | S | 28.5 | Very low | 27.4 | Very low | 61 Ų | 61 | 103.6 Ų | 103.6 | 43% | 0.427 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.4 | -37.4 | -178.8 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | H1178 N1179 H1180 | S1176-H1178 PolarHBondContact O-N 3.48Å; S1176-N1179 PolarHBondContact O-N 2.91Å; S1176-N1179 VanDerWaalsContact O-N 3.1Å; S1176-H1180 PolarHBondContact O-N 2.76Å |
| 1177 | L | 27.3 | Very low | 27.6 | Very low | 108 Ų | 108 | 103.5 Ų | 103.5 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.9 | -26.7 | -177.9 | -154.9 | 74.4 | 0 | 0 | 0 | 112.9 | N1179 I1181 | L1177-N1179 VanDerWaalsContact C-N 3.34Å; L1177-I1181 HydrophobicContact CG-CD1 4.4Å; L1177-I1181 WeakPolarHBondContact O-CG1 3.46Å; L1177-I1181 PolarHBondContact O-N 3.36Å |
| 1178 | H | 27.3 | Very low | 27.8 | Very low | 123 Ų | 123 | 103.4 Ų | 103.4 | 57% | 0.569 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.8 | -28.4 | 175.5 | -165 | 68.4 | 0 | 0 | 0 | 112.5 | S1176 N1182 | S1176-H1178 PolarHBondContact O-N 3.48Å; H1178-N1182 PolarHBondContact CD2-ND2 3.33Å; H1178-N1182 VanDerWaalsContact CD2-ND2 3.33Å; H1178-N1182 PolarHBondContact NE2-ND2 3.45Å; H1178-N1182 VanDerWaalsContact NE2-ND2 3.15Å; H1178-N1182 WeakPolarHBondContact O-CB 3.36Å; H1178-N1182 PolarHBondContact O-N 3Å; H1178-N1182 PolarHBondContact O-ND2 3.44Å |
| 1179 | N | 28.5 | Very low | 28.2 | Very low | 102 Ų | 102 | 101.3 Ų | 101.3 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.9 | -47.5 | 176 | -70.7 | -7.7 | 0 | 0 | 0 | 110.9 | S1176 L1177 I1181 N1182 E1183 | S1176-N1179 PolarHBondContact O-N 2.91Å; S1176-N1179 VanDerWaalsContact O-N 3.1Å; L1177-N1179 VanDerWaalsContact C-N 3.34Å; N1179-I1181 VanDerWaalsContact C-N 3.31Å; N1179-I1181 PolarHBondContact O-N 2.95Å; N1179-N1182 CarbonylContact O-C 3.59Å; N1179-N1182 WeakPolarHBondContact O-CA 3.4Å; N1179-N1182 WeakPolarHBondContact O-CB 3.36Å; N1179-N1182 PolarHBondContact O-N 3.29Å; N1179-E1183 WeakPolarHBondContact O-CG 3.21Å; N1179-E1183 PolarHBondContact O-N 2.88Å |
| 1180 | H | 29.5 | Very low | 28.6 | Very low | 136 Ų | 136 | 102 Ų | 102 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.5 | -30.5 | -176.8 | -122.4 | 30.6 | 0 | 0 | 0 | 114.1 | S1176 E1183 S1184 | S1176-H1180 PolarHBondContact O-N 2.76Å; H1180-E1183 IonicContact CE1-OE2 3.98Å; H1180-E1183 IonicContact CG-OE2 2.76Å; H1180-E1183 IonicContact ND1-OE2 2.94Å; H1180-E1183 PolarHBondContact ND1-OE2 3.29Å; H1180-S1184 PolarHBondContact O-N 3.13Å; H1180-S1184 PolarHBondContact O-OG 3Å |
| 1181 | I | 29.6 | Very low | 28.9 | Very low | 101 Ų | 101 | 98.7 Ų | 98.7 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73 | -34.8 | 171.1 | -65.1 | 172.9 | 0 | 0 | 0 | 111 | L1177 N1179 S1184 C1185 | L1177-I1181 HydrophobicContact CG-CD1 4.4Å; L1177-I1181 WeakPolarHBondContact O-CG1 3.46Å; L1177-I1181 PolarHBondContact O-N 3.36Å; N1179-I1181 VanDerWaalsContact C-N 3.31Å; N1179-I1181 PolarHBondContact O-N 2.95Å; I1181-S1184 PolarHBondContact O-OG 2.87Å; I1181-C1185 WeakPolarHBondContact O-CB 3.28Å; I1181-C1185 PolarHBondContact O-N 2.98Å; I1181-C1185 PolarHBondContact O-SG 2.93Å; I1181-C1185 VanDerWaalsContact O-SG 3.41Å |
| 1182 | N | 28.6 | Very low | 29.2 | Very low | 63 Ų | 63 | 99.2 Ų | 99.2 | 34% | 0.337 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.4 | -36.2 | 174.3 | -84.9 | -61.6 | 0 | 0 | 0 | 113.2 | H1178 N1179 C1185 Q1186 | H1178-N1182 PolarHBondContact CD2-ND2 3.33Å; H1178-N1182 VanDerWaalsContact CD2-ND2 3.33Å; H1178-N1182 PolarHBondContact NE2-ND2 3.45Å; H1178-N1182 VanDerWaalsContact NE2-ND2 3.15Å; H1178-N1182 WeakPolarHBondContact O-CB 3.36Å; H1178-N1182 PolarHBondContact O-N 3Å; H1178-N1182 PolarHBondContact O-ND2 3.44Å; N1179-N1182 CarbonylContact O-C 3.59Å; N1179-N1182 WeakPolarHBondContact O-CA 3.4Å; N1179-N1182 WeakPolarHBondContact O-CB 3.36Å; N1179-N1182 PolarHBondContact O-N 3.29Å; N1182-C1185 PolarHBondContact O-N 3.21Å; N1182-Q1186 WeakPolarHBondContact O-CB 3.46Å; N1182-Q1186 VanDerWaalsContact O-CG 3.29Å; N1182-Q1186 WeakPolarHBondContact O-CG 3.4Å; N1182-Q1186 PolarHBondContact O-N 2.78Å |
| 1183 | E | 29.5 | Very low | 29.8 | Very low | 94 Ų | 94 | 99.2 Ų | 99.2 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 177.5 | -72 | 175.9 | 125.3 | 0 | 0 | 111.6 | N1179 H1180 Q1186 Y1187 | N1179-E1183 WeakPolarHBondContact O-CG 3.21Å; N1179-E1183 PolarHBondContact O-N 2.88Å; H1180-E1183 IonicContact CE1-OE2 3.98Å; H1180-E1183 IonicContact CG-OE2 2.76Å; H1180-E1183 IonicContact ND1-OE2 2.94Å; H1180-E1183 PolarHBondContact ND1-OE2 3.29Å; E1183-Q1186 PolarHBondContact O-N 3.32Å; E1183-Y1187 PolarHBondContact O-N 3.47Å |
| 1184 | S | 29 | Very low | 30.1 | Very low | 65 Ų | 65 | 108.1 Ų | 108.1 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.7 | -37.2 | 175.9 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | H1180 I1181 F1188 | H1180-S1184 PolarHBondContact O-N 3.13Å; H1180-S1184 PolarHBondContact O-OG 3Å; I1181-S1184 PolarHBondContact O-OG 2.87Å; S1184-F1188 PolarHBondContact O-N 2.68Å |
| 1185 | C | 31.3 | Very low | 30.3 | Very low | 68 Ų | 68 | 109.2 Ų | 109.2 | 46% | 0.459 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.5 | -43.4 | 170 | -74 | 0 | 0 | 0 | 0 | 113.1 | I1181 N1182 Y1187 F1188 D1189 | I1181-C1185 WeakPolarHBondContact O-CB 3.28Å; I1181-C1185 PolarHBondContact O-N 2.98Å; I1181-C1185 PolarHBondContact O-SG 2.93Å; I1181-C1185 VanDerWaalsContact O-SG 3.41Å; N1182-C1185 PolarHBondContact O-N 3.21Å; C1185-Y1187 VanDerWaalsContact C-N 3.3Å; C1185-Y1187 PolarHBondContact O-N 2.88Å; C1185-F1188 WeakPolarHBondContact O-CB 3.44Å; C1185-F1188 PolarHBondContact O-N 3.36Å; C1185-F1188 VanDerWaalsContact O-N 3.13Å; C1185-D1189 PolarHBondContact O-N 3.17Å |
| 1186 | Q | 32.2 | Very low | 30.3 | Very low | 128 Ų | 128 | 111.1 Ų | 111.1 | 60% | 0.598 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.5 | -33.1 | 178 | -78 | -178.2 | 44.7 | 0 | 0 | 112.4 | N1182 E1183 F1188 D1189 K1190 | N1182-Q1186 WeakPolarHBondContact O-CB 3.46Å; N1182-Q1186 VanDerWaalsContact O-CG 3.29Å; N1182-Q1186 WeakPolarHBondContact O-CG 3.4Å; N1182-Q1186 PolarHBondContact O-N 2.78Å; E1183-Q1186 PolarHBondContact O-N 3.32Å; Q1186-F1188 VanDerWaalsContact C-N 3.34Å; Q1186-D1189 PolarHBondContact O-N 3.13Å; Q1186-K1190 WeakPolarHBondContact O-CB 3.45Å; Q1186-K1190 PolarHBondContact O-N 3Å |
| 1187 | Y | 28.8 | Very low | 30.4 | Very low | 152 Ų | 152 | 112.8 Ų | 112.8 | 60% | 0.596 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.3 | -39.4 | 173.6 | -139.2 | -87.3 | 0 | 0 | 0 | 111.6 | E1183 C1185 K1190 L1191 | E1183-Y1187 PolarHBondContact O-N 3.47Å; C1185-Y1187 VanDerWaalsContact C-N 3.3Å; C1185-Y1187 PolarHBondContact O-N 2.88Å; Y1187-K1190 PolarHBondContact O-N 3.48Å; Y1187-L1191 HydrophobicContact CD1-CD1 4.1Å; Y1187-L1191 HydrophobicContact CE1-CD1 4.48Å; Y1187-L1191 PolarHBondContact O-N 3.46Å |
| 1188 | F | 30.5 | Very low | 30.5 | Very low | 153 Ų | 153 | 113.2 Ų | 113.2 | 67% | 0.671 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.1 | -48.3 | 172.6 | -104.2 | -90 | 0 | 0 | 0 | 112.3 | S1184 C1185 Q1186 K1190 L1191 F1192 | S1184-F1188 PolarHBondContact O-N 2.68Å; C1185-F1188 WeakPolarHBondContact O-CB 3.44Å; C1185-F1188 PolarHBondContact O-N 3.36Å; C1185-F1188 VanDerWaalsContact O-N 3.13Å; Q1186-F1188 VanDerWaalsContact C-N 3.34Å; F1188-K1190 VanDerWaalsContact C-N 3.34Å; F1188-K1190 PolarHBondContact O-N 2.86Å; F1188-L1191 WeakPolarHBondContact O-CB 3.28Å; F1188-L1191 PolarHBondContact O-N 3.18Å; F1188-F1192 WeakPolarHBondContact O-CB 3.5Å; F1188-F1192 PolarHBondContact O-N 3.03Å |
| 1189 | D | 33 | Very low | 30.6 | Very low | 116 Ų | 116 | 112.3 Ų | 112.3 | 62% | 0.62 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.2 | -38 | 177.3 | -81.2 | -30.8 | 0 | 0 | 0 | 112.5 | C1185 Q1186 L1191 F1192 G1193 | C1185-D1189 PolarHBondContact O-N 3.17Å; Q1186-D1189 PolarHBondContact O-N 3.13Å; D1189-L1191 VanDerWaalsContact C-N 3.33Å; D1189-L1191 PolarHBondContact O-N 2.94Å; D1189-F1192 PolarHBondContact O-N 3.42Å; D1189-G1193 PolarHBondContact O-N 3.41Å |
| 1190 | K | 34.1 | Very low | 30.5 | Very low | 122 Ų | 122 | 114.3 Ų | 114.3 | 53% | 0.53 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71 | -27.5 | 179 | -156.5 | 170.3 | -170.9 | 178.2 | 0 | 112.3 | Q1186 Y1187 F1188 R1194 | Q1186-K1190 WeakPolarHBondContact O-CB 3.45Å; Q1186-K1190 PolarHBondContact O-N 3Å; Y1187-K1190 PolarHBondContact O-N 3.48Å; F1188-K1190 VanDerWaalsContact C-N 3.34Å; F1188-K1190 PolarHBondContact O-N 2.86Å; K1190-R1194 WeakPolarHBondContact O-CG 3.26Å |
| 1191 | L | 30.1 | Very low | 30.5 | Very low | 94 Ų | 94 | 115 Ų | 115 | 49% | 0.492 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.7 | -47 | 166 | -87.7 | 162 | 0 | 0 | 0 | 111.8 | Y1187 F1188 D1189 G1193 R1194 L1195 | Y1187-L1191 HydrophobicContact CD1-CD1 4.1Å; Y1187-L1191 HydrophobicContact CE1-CD1 4.48Å; Y1187-L1191 PolarHBondContact O-N 3.46Å; F1188-L1191 WeakPolarHBondContact O-CB 3.28Å; F1188-L1191 PolarHBondContact O-N 3.18Å; D1189-L1191 VanDerWaalsContact C-N 3.33Å; D1189-L1191 PolarHBondContact O-N 2.94Å; L1191-G1193 VanDerWaalsContact C-N 3.35Å; L1191-G1193 PolarHBondContact O-N 3.24Å; L1191-R1194 PolarHBondContact O-N 3.14Å; L1191-R1194 VanDerWaalsContact O-N 3.16Å; L1191-L1195 PolarHBondContact O-N 3Å |
| 1192 | F | 30.5 | Very low | 30.5 | Very low | 106 Ų | 106 | 119.1 Ų | 119.1 | 47% | 0.465 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -59.5 | -43.9 | -179 | -139.4 | -91.8 | 0 | 0 | 0 | 112.1 | F1145 F1188 D1189 R1194 L1195 | F1145-F1192 HydrophobicContact CD1-CE2 4.05Å; F1145-F1192 AromaticContact CD1-CZ 3.59Å; F1145-F1192 HydrophobicContact CD1-CZ 3.59Å; F1145-F1192 AromaticContact CE1-CE2 3.46Å; F1145-F1192 HydrophobicContact CE1-CE2 3.46Å; F1145-F1192 VanDerWaalsContact CE1-CE2 3.46Å; F1145-F1192 AromaticContact CE1-CZ 3.5Å; F1145-F1192 HydrophobicContact CE1-CZ 3.5Å; F1145-F1192 VanDerWaalsContact CE1-CZ 3.5Å; F1145-F1192 HydrophobicContact CZ-CE2 4.13Å; F1145-F1192 HydrophobicContact CZ-CZ 4.49Å; F1188-F1192 WeakPolarHBondContact O-CB 3.5Å; F1188-F1192 PolarHBondContact O-N 3.03Å; D1189-F1192 PolarHBondContact O-N 3.42Å; F1192-R1194 VanDerWaalsContact C-N 3.32Å; F1192-R1194 PolarHBondContact O-N 3Å; F1192-L1195 PolarHBondContact O-N 3.2Å |
| 1193 | G | 37.3 | Very low | 30.3 | Very low | 59 Ų | 59 | 123.7 Ų | 123.7 | 61% | 0.608 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.2 | -28.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1189 L1191 | D1189-G1193 PolarHBondContact O-N 3.41Å; L1191-G1193 VanDerWaalsContact C-N 3.35Å; L1191-G1193 PolarHBondContact O-N 3.24Å |
| 1194 | R | 31.7 | Very low | 30.4 | Very low | 213 Ų | 213 | 123.7 Ų | 123.7 | 80% | 0.804 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -80.3 | -17.2 | 178.6 | -80.8 | -177.1 | 165.6 | -173.8 | -3.8 | 114 | K1190 L1191 F1192 | K1190-R1194 WeakPolarHBondContact O-CG 3.26Å; L1191-R1194 PolarHBondContact O-N 3.14Å; L1191-R1194 VanDerWaalsContact O-N 3.16Å; F1192-R1194 VanDerWaalsContact C-N 3.32Å; F1192-R1194 PolarHBondContact O-N 3Å |
| 1195 | L | 29.9 | Very low | 30.3 | Very low | 148 Ų | 148 | 127 Ų | 127 | 78% | 0.775 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -1.1 | -178 | -84.2 | 162.8 | 0 | 0 | 0 | 114.8 | L1191 F1192 | L1191-L1195 PolarHBondContact O-N 3Å; F1192-L1195 PolarHBondContact O-N 3.2Å |
| 1196 | K | 28.8 | Very low | 30 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 53% | 0.53 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -145.3 | 47.7 | -165.8 | -147.4 | 176.9 | -178.2 | -177 | 0 | 118 | F1145 N1146 | F1145-K1196 PolarHBondContact O-NZ 3.01Å; N1146-K1196 PolarHBondContact OD1-NZ 2.88Å |
| 1197 | A | 31.6 | Very low | 29.5 | Very low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -144.1 | 140 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1198 | P | 28.5 | Very low | 29.2 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 76% | 0.76 | 68% | 0.684 | S | S | * | * | trans | -119.1 | -177.8 | -160.9 | 42.8 | -31.6 | 0 | 0 | 0 | 115.1 | ||||
| 1199 | S | 29.5 | Very low | 28.9 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | trans | 75.9 | 142.8 | 168.2 | -52 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1200 | L | 25.8 | Very low | 28.7 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 75% | 0.749 | 69% | 0.69 | S | S | * | * | cis | 172 | 140.9 | -19.9 | -112.6 | 160.5 | 0 | 0 | 0 | 104.5 | ||||
| 1201 | Q | 29.4 | Very low | 28.3 | Very low | 152 Ų | 152 | 134 Ų | 134 | 71% | 0.71 | 70% | 0.703 | S | S | * | * | trans | 70.5 | 109.8 | 160.5 | -56.6 | -176 | 25 | 0 | 0 | 121.2 | ||||
| 1202 | K | 29.8 | Very low | 28.5 | Very low | 186 Ų | 186 | 134.6 Ų | 134.6 | 81% | 0.809 | 71% | 0.712 | S | S | * | * | 74.6 | 111.9 | 126.9 | -64.1 | 177.2 | 179 | 176.2 | 0 | 121.6 | |||||
| 1203 | L | 24.3 | Very low | 28.3 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | -19.8 | 165.1 | 132 | -85.3 | 79 | 0 | 0 | 0 | 117.4 | ||||
| 1204 | P | 31.3 | Very low | 27.7 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | cis | -143.4 | -163.6 | -25.5 | 36.3 | -14.7 | 0 | 0 | 0 | 113.6 | ||||
| 1205 | N | 27.5 | Very low | 27.5 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | trans | 114.7 | 113 | 148 | -65.9 | -31.7 | 0 | 0 | 0 | 120 | ||||
| 1206 | Q | 25.3 | Very low | 27.5 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | trans | 64.8 | 124.5 | 130.7 | -64.7 | -164.1 | -11.6 | 0 | 0 | 123.1 | ||||
| 1207 | L | 21.4 | Very low | 27.4 | Very low | 135 Ų | 135 | 137 Ų | 137 | 71% | 0.707 | 72% | 0.724 | S | S | * | * | trans | 68.3 | 121 | 138.8 | -93.8 | 74.5 | 0 | 0 | 0 | 121.2 | ||||
| 1208 | N | 22.4 | Very low | 27.1 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | 58.1 | 103.7 | 125.4 | -67.5 | 26.8 | 0 | 0 | 0 | 119.9 | |||||
| 1209 | N | 25 | Very low | 26.9 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | 164.5 | 163.7 | 93.3 | -85.7 | -24.9 | 0 | 0 | 0 | 113.4 | |||||
| 1210 | H | 28.7 | Very low | 26.5 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | trans | 72 | 112.4 | 167 | -51.2 | -58 | 0 | 0 | 0 | 115.8 | ||||
| 1211 | E | 26.1 | Very low | 26.6 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | cis | 61.1 | 147.2 | 43.2 | -72.9 | -164.7 | 134.9 | 0 | 0 | 115.6 | ||||
| 1212 | P | 33.2 | Very low | 26.3 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 69% | 0.688 | 71% | 0.712 | S | S | * | * | cis | -136.1 | -130 | -22.1 | 37.6 | -16.6 | 0 | 0 | 0 | 111.6 | ||||
| 1213 | E | 26.8 | Very low | 25.9 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | trans | 81.5 | 131.8 | 177.7 | -59 | -164.6 | -174 | 0 | 0 | 116.4 | ||||
| 1214 | L | 24.6 | Very low | 26 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 62% | 0.623 | 71% | 0.71 | S | S | * | * | cis | -157.3 | 170.7 | -12.8 | -155.2 | 68.2 | 0 | 0 | 0 | 110.1 | ||||
| 1215 | F | 27.7 | Very low | 25.6 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 77% | 0.772 | 72% | 0.72 | S | S | * | * | trans | 74.6 | 128.1 | 175.3 | -60.8 | -71.6 | 0 | 0 | 0 | 116.9 | ||||
| 1216 | D | 29.1 | Very low | 25.5 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 58% | 0.583 | 72% | 0.72 | S | S | * | * | cis | 158.3 | 151.1 | -26 | -90.7 | -0.4 | 0 | 0 | 0 | 105 | ||||
| 1217 | I | 26.5 | Very low | 25.3 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 65% | 0.646 | 72% | 0.719 | S | S | * | * | cis | -144.5 | 137.8 | -12.3 | -118.6 | 161.2 | 0 | 0 | 0 | 106.6 | ||||
| 1218 | P | 26.7 | Very low | 25.5 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | trans | -91.1 | -132.1 | 171.5 | 36.1 | -30.3 | 0 | 0 | 0 | 108.8 | ||||
| 1219 | L | 22.9 | Very low | 25.6 | Very low | 142 Ų | 142 | 137 Ų | 137 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | 73.9 | 161.8 | 168.2 | -48.3 | 178.1 | 0 | 0 | 0 | 116.1 | ||||
| 1220 | T | 22.5 | Very low | 25.5 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 62% | 0.62 | 72% | 0.719 | S | S | * | * | cis | -179.9 | 120.4 | -39.9 | -88 | 0 | 0 | 0 | 0 | 105.5 | T1222 | T1220-T1222 HydrophobicContact CG2-CG2 3.64Š| ||
| 1221 | E | 27.2 | Very low | 25.3 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 72% | 0.716 | S | S | * | * | trans | -155.2 | 94.3 | 165.9 | -111.4 | 166.1 | -144.5 | 0 | 0 | 108.2 | ||||
| 1222 | T | 22.8 | Very low | 25.2 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 57% | 0.571 | 71% | 0.713 | S | S | * | * | 62 | 110.5 | 69.8 | 70.9 | 0 | 0 | 0 | 0 | 115.7 | T1220 | T1220-T1222 HydrophobicContact CG2-CG2 3.64Š| |||
| 1223 | Y | 22.5 | Very low | 24.8 | Very low | 216 Ų | 216 | 134 Ų | 134 | 85% | 0.847 | 71% | 0.713 | S | S | * | * | trans | 48.3 | 130.9 | 140.1 | -71.2 | -69.1 | 0 | 0 | 0 | 119.7 | ||||
| 1224 | P | 25.9 | Very low | 24.8 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | -147.3 | 138.4 | 80.3 | 34.2 | -15.4 | 0 | 0 | 0 | 118.9 | |||||
| 1225 | M | 23.3 | Very low | 24.8 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | trans | 73.1 | 150.4 | 135.6 | -64 | -65.2 | 174.8 | 0 | 0 | 122.5 | ||||
| 1226 | C | 24.6 | Very low | 24.8 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 72% | 0.723 | 71% | 0.709 | S | S | * | * | trans | 59.4 | 106.5 | 162.7 | -64.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1227 | T | 22 | Very low | 24.6 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | cis | 46.7 | 134.5 | 49.6 | 87 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1228 | P | 25.1 | Very low | 24.4 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | cis | -137.8 | 174.9 | 26.3 | 44.9 | -28.9 | 0 | 0 | 0 | 116 | ||||
| 1229 | Q | 24 | Very low | 24.3 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | 33.2 | 136.5 | 132.3 | -61.9 | 173.1 | 27.4 | 0 | 0 | 119.3 | ||||
| 1230 | K | 23.9 | Very low | 24.4 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | cis | -170.7 | 141 | 34.8 | -130.7 | 152.7 | -172.2 | 152.6 | 0 | 112.3 | ||||
| 1231 | N | 23.8 | Very low | 24.4 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | trans | 54.8 | 150.1 | 137.6 | -65.7 | 18.9 | 0 | 0 | 0 | 123.4 | ||||
| 1232 | T | 25.2 | Very low | 24.3 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | trans | 62.3 | 103.4 | 151 | 45.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1233 | S | 23.6 | Very low | 24.4 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | 88.8 | 146.5 | 51.4 | 71.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1234 | V | 27.7 | Very low | 24.7 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | trans | 71.1 | 101.1 | 176 | -171.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1235 | S | 23.2 | Very low | 24.7 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | 65.7 | 151.9 | 54.4 | 95.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1236 | P | 29.2 | Very low | 24.8 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 66% | 0.656 | 72% | 0.722 | S | S | * | * | cis | -132.9 | -175.3 | -17 | 39.2 | -21.8 | 0 | 0 | 0 | 113.7 | ||||
| 1237 | T | 23.4 | Very low | 24.9 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | trans | 61.9 | 130.5 | 153.2 | 48.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1238 | K | 23.1 | Very low | 25.2 | Very low | 211 Ų | 211 | 128.2 Ų | 128.2 | 92% | 0.917 | 73% | 0.725 | S | S | * | * | trans | 65.2 | 114.6 | 146.3 | -68.1 | 179.2 | 176.3 | -179.6 | 0 | 119 | ||||
| 1239 | G | 24.3 | Very low | 25.2 | Very low | 77 Ų | 77 | 131.7 Ų | 131.7 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | 165.3 | 88.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1240 | F | 24.5 | Very low | 25.3 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 69% | 0.689 | 73% | 0.726 | S | S | * | * | trans | -89.3 | 118.6 | 168.2 | -84.6 | -56.6 | 0 | 0 | 0 | 110.4 | F1017 | F1017-F1240 HydrophobicContact CD1-CE1 4.39Å; F1017-F1240 HydrophobicContact CD2-CD1 4.31Å; F1017-F1240 AromaticContact CD2-CE1 3.6Å; F1017-F1240 HydrophobicContact CD2-CE1 3.6Å; F1017-F1240 AromaticContact CD2-CE2 3.86Å; F1017-F1240 HydrophobicContact CD2-CE2 3.86Å; F1017-F1240 AromaticContact CD2-CZ 3.33Å; F1017-F1240 HydrophobicContact CD2-CZ 3.33Å; F1017-F1240 HydrophobicContact CE1-CE1 4.03Å; F1017-F1240 AromaticContact CE2-CD1 3.49Å; F1017-F1240 HydrophobicContact CE2-CD1 3.49Å; F1017-F1240 VanDerWaalsContact CE2-CD1 3.49Å; F1017-F1240 HydrophobicContact CE2-CD2 4.14Å; F1017-F1240 AromaticContact CE2-CE1 3.17Å; F1017-F1240 HydrophobicContact CE2-CE1 3.17Å; F1017-F1240 AromaticContact CE2-CE2 3.87Å; F1017-F1240 HydrophobicContact CE2-CE2 3.87Å; F1017-F1240 AromaticContact CE2-CG 3.98Å; F1017-F1240 HydrophobicContact CE2-CG 3.98Å; F1017-F1240 AromaticContact CE2-CZ 3.39Å; F1017-F1240 HydrophobicContact CE2-CZ 3.39Å; F1017-F1240 HydrophobicContact CG-CE1 4.21Å; F1017-F1240 HydrophobicContact CG-CZ 4.02Å; F1017-F1240 AromaticContact CZ-CD1 3.67Å; F1017-F1240 HydrophobicContact CZ-CD1 3.67Å; F1017-F1240 AromaticContact CZ-CE1 3.42Å; F1017-F1240 HydrophobicContact CZ-CE1 3.42Å; F1017-F1240 VanDerWaalsContact CZ-CE1 3.42Å; F1017-F1240 HydrophobicContact CZ-CZ 4.08Å | ||
| 1241 | S | 24.3 | Very low | 25.4 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | -167.3 | 132.6 | 156.7 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1242 | D | 24.4 | Very low | 25.5 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | trans | 62.1 | 93.1 | 137.6 | -54.5 | -12.9 | 0 | 0 | 0 | 120.7 | ||||
| 1243 | S | 24.1 | Very low | 25.5 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | 50.3 | 113.8 | 122.6 | 66.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1244 | Q | 28.6 | Very low | 25.6 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | trans | -132.3 | 123.3 | 135.4 | -75.4 | -155.4 | -6.1 | 0 | 0 | 110.2 | ||||
| 1245 | L | 26 | Very low | 25.5 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 64% | 0.644 | 73% | 0.727 | S | S | * | * | 71 | 97.5 | 113.5 | -60.6 | 174.4 | 0 | 0 | 0 | 113.8 | |||||
| 1246 | D | 26 | Very low | 25.6 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | 62.8 | 110.8 | 53.8 | -173.8 | 37.6 | 0 | 0 | 0 | 114 | |||||
| 1247 | K | 27 | Very low | 25.4 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | trans | 165.4 | 58.4 | 137.2 | -87.4 | 156.4 | -170.3 | 168.8 | 0 | 116.2 | ||||
| 1248 | S | 27.6 | Very low | 25.5 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -173.6 | 121.9 | 154.4 | 51.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1249 | F | 24.6 | Very low | 25.5 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 77% | 0.768 | 73% | 0.734 | S | S | * | * | cis | -144.4 | 141.4 | -9.2 | -145.2 | -86.9 | 0 | 0 | 0 | 109.7 | ||||
| 1250 | N | 27 | Very low | 25.5 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | trans | -91.5 | 133 | -172.3 | -80.1 | -82.8 | 0 | 0 | 0 | 113 | ||||
| 1251 | K | 25.2 | Very low | 25.5 | Very low | 136 Ų | 136 | 138.7 Ų | 138.7 | 59% | 0.591 | 73% | 0.733 | S | S | * | * | trans | -167 | 134.5 | 132.9 | -113.4 | 179.8 | -175.3 | -175.6 | 0 | 112.7 | D648 E649 | D648-K1251 PolarHBondContact O-NZ 3.13Å; E649-K1251 WeakPolarHBondContact O-CE 3.5Å; E649-K1251 PolarHBondContact O-NZ 3.36Å | ||
| 1252 | I | 26.6 | Very low | 25.5 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | 58.3 | 77.2 | 166.6 | -44.5 | 177.8 | 0 | 0 | 0 | 114 | ||||
| 1253 | T | 25.2 | Very low | 25.5 | Very low | 76 Ų | 76 | 140.8 Ų | 140.8 | 47% | 0.466 | 74% | 0.741 | S | S | . | * | cis | 74 | 123.4 | 26.4 | -45.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1254 | R | 26.8 | Very low | 25.5 | Very low | 227 Ų | 227 | 142 Ų | 142 | 86% | 0.857 | 74% | 0.738 | S | S | * | * | trans | 78.9 | 142.7 | 155.9 | -79 | 164.1 | -151.7 | 141.2 | 6.7 | 121.9 | ||||
| 1255 | R | 24.3 | Very low | 25.4 | Very low | 235 Ų | 235 | 141.1 Ų | 141.1 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | trans | 79.1 | 111.9 | 164.7 | -72.7 | 172.9 | 173.3 | 160.9 | -3.7 | 115.2 | ||||
| 1256 | A | 24.8 | Very low | 25.4 | Very low | 85 Ų | 85 | 139.9 Ų | 139.9 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | cis | 63.8 | 115 | 47.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1257 | K | 25 | Very low | 25.3 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | S | Bend | 55.8 | 122.6 | 78.2 | -80.8 | -157.5 | 171.7 | -164.3 | 0 | 113.3 | |||
| 1258 | S | 25.5 | Very low | 25.3 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | 45.3 | 88.5 | 150.5 | 62.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1259 | L | 22.9 | Very low | 25.1 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -150.1 | 77.5 | 142.1 | -107.6 | 154.5 | 0 | 0 | 0 | 108.1 | G1261 | L1259-G1261 VanDerWaalsContact C-N 3.34Å; L1259-G1261 PolarHBondContact O-N 3.32Å | ||
| 1260 | T | 25.5 | Very low | 25.2 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | trans | -60 | 99 | 156 | 25.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1261 | G | 24.4 | Very low | 25.2 | Very low | 54 Ų | 54 | 138.4 Ų | 138.4 | 56% | 0.557 | 76% | 0.755 | S | S | * | * | trans | -80.7 | 137.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1259 | L1259-G1261 VanDerWaalsContact C-N 3.34Å; L1259-G1261 PolarHBondContact O-N 3.32Å | ||
| 1262 | D | 24.1 | Very low | 25.3 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | 61 | 76.3 | 147.9 | -52 | -29.1 | 0 | 0 | 0 | 119.5 | ||||
| 1263 | T | 24.3 | Very low | 25.4 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | -159.6 | 141.8 | 126.2 | 43.5 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1264 | L | 24.4 | Very low | 25.5 | Very low | 133 Ų | 133 | 138 Ų | 138 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | cis | -162.8 | 147.3 | -13.3 | -120.7 | 172.3 | 0 | 0 | 0 | 110 | ||||
| 1265 | H | 26.6 | Very low | 25.4 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | 87.6 | 134.1 | 167.1 | -57.5 | 104.8 | 0 | 0 | 0 | 121.9 | ||||
| 1266 | S | 25.2 | Very low | 25.6 | Very low | 97 Ų | 97 | 130 Ų | 130 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 56.6 | 119.6 | 146.4 | 60.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1267 | N | 24.9 | Very low | 25.7 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | cis | -154.9 | 152.2 | 37 | -93.8 | -49.7 | 0 | 0 | 0 | 115.6 | ||||
| 1268 | T | 26.1 | Very low | 25.7 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 48.8 | 77.7 | 150.7 | 57.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 1269 | T | 24.5 | Very low | 25.8 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -78.8 | 144 | 146.5 | 46.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1270 | T | 25.8 | Very low | 25.9 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -68.9 | 130.8 | -178.7 | 47.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1271 | T | 26.6 | Very low | 26 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 57.4 | 139.3 | 140.4 | 56.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1272 | S | 28.3 | Very low | 26.2 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 70.3 | 81.6 | 147.3 | 53.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1273 | N | 27.9 | Very low | 26.3 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | 72.4 | 133 | 113.4 | -76.1 | 1.9 | 0 | 0 | 0 | 123.6 | |||||
| 1274 | S | 27.2 | Very low | 26.4 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | 69.7 | 91.9 | 139.6 | 59.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1275 | N | 24.4 | Very low | 26.5 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | 46.7 | 112.9 | 116.9 | -55.3 | -0.4 | 0 | 0 | 0 | 118.3 | |||||
| 1276 | N | 28.3 | Very low | 26.6 | Very low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | -156.9 | 127.2 | 124.7 | -99.7 | -47.6 | 0 | 0 | 0 | 112.8 | |||||
| 1277 | N | 27.7 | Very low | 26.6 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 68% | 0.684 | 74% | 0.737 | S | S | * | * | trans | 58.3 | 98.6 | 141.5 | -52.2 | -29.4 | 0 | 0 | 0 | 121.5 | ||||
| 1278 | H | 25.9 | Very low | 26.7 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | 47 | 82.8 | 117.8 | -70 | -48.1 | 0 | 0 | 0 | 120.6 | |||||
| 1279 | E | 27.5 | Very low | 26.7 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | trans | -130 | 124.1 | 133.6 | -63.5 | -167.7 | 132.1 | 0 | 0 | 106.7 | ||||
| 1280 | R | 24.9 | Very low | 26.7 | Very low | 207 Ų | 207 | 147.7 Ų | 147.7 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | cis | 101.1 | 100.7 | 40 | -91.7 | -165.8 | 172.7 | 177 | -0.4 | 112.3 | ||||
| 1281 | H | 28.1 | Very low | 26.7 | Very low | 142 Ų | 142 | 152.9 Ų | 152.9 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | 68.7 | 146 | 158.4 | -47.6 | -65.2 | 0 | 0 | 0 | 116.8 | ||||
| 1282 | H | 27.8 | Very low | 26.6 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | cis | -161.5 | 152.1 | -18.5 | -107.8 | -39.6 | 0 | 0 | 0 | 109.9 | ||||
| 1283 | H | 25.7 | Very low | 26.4 | Very low | 139 Ų | 139 | 156.6 Ų | 156.6 | 64% | 0.644 | 75% | 0.752 | S | S | * | * | trans | 32.1 | 127.1 | 141.2 | -63.9 | -38.5 | 0 | 0 | 0 | 121 | ||||
| 1284 | H | 27.5 | Very low | 26.2 | Very low | 152 Ų | 152 | 157.4 Ų | 157.4 | 70% | 0.704 | 75% | 0.753 | S | S | * | * | 52.9 | 130.9 | 82.4 | -63.8 | -24.1 | 0 | 0 | 0 | 113.6 | |||||
| 1285 | H | 26.5 | Very low | 26 | Very low | 141 Ų | 141 | 156.4 Ų | 156.4 | 65% | 0.653 | 76% | 0.757 | S | S | * | * | cis | -151.1 | 131.3 | -3.7 | -105 | -76.4 | 0 | 0 | 0 | 107.1 | ||||
| 1286 | Q | 27 | Very low | 26 | Very low | 95 Ų | 95 | 157.9 Ų | 157.9 | 44% | 0.444 | 76% | 0.757 | S | S | . | * | trans | -108.6 | 117.5 | 158.6 | -94.3 | 175.3 | -35.2 | 0 | 0 | 107.1 | L638 D639 | L638-Q1286 HydrophobicContact CB-CG 4.16Å; L638-Q1286 HydrophobicContact CD2-CG 4.02Å; L638-Q1286 VanDerWaalsContact CD2-OE1 3.31Å; L638-Q1286 HydrophobicContact CG-CG 4.4Å; D639-Q1286 PolarHBondContact OD2-NE2 3.48Å; D639-Q1286 PolarHBondContact OD2-OE1 2.96Å | ||
| 1287 | H | 27.2 | Very low | 25.8 | Very low | 175 Ų | 175 | 158.9 Ų | 158.9 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -85 | 123.5 | 155.9 | -89.4 | -89.5 | 0 | 0 | 0 | 107 | ||||
| 1288 | R | 27 | Very low | 25.8 | Very low | 222 Ų | 222 | 158.7 Ų | 158.7 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | -119 | 137.1 | 174.9 | -166.7 | -179.6 | -169 | -158.5 | 2.2 | 107.3 | N1290 | R1288-N1290 PolarHBondContact O-N 2.83Š| ||
| 1289 | D | 25.2 | Very low | 25.8 | Very low | 154 Ų | 154 | 154.2 Ų | 154.2 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | -67 | 121.3 | -165.1 | -55 | -84.9 | 0 | 0 | 0 | 112.1 | ||||
| 1290 | N | 23.9 | Very low | 25.8 | Very low | 142 Ų | 142 | 150.3 Ų | 150.3 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -155.2 | 88.6 | 173.4 | -99.4 | -13 | 0 | 0 | 0 | 107.6 | R1288 | R1288-N1290 PolarHBondContact O-N 2.83Š| ||
| 1291 | Y | 25.6 | Very low | 25.8 | Very low | 236 Ų | 236 | 146 Ų | 146 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | trans | -119.5 | 83.2 | 150.7 | -89.3 | -86.6 | 0 | 0 | 0 | 104.5 | ||||
| 1292 | C | 25.3 | Very low | 25.8 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | 65.4 | 90.3 | 89.9 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1293 | E | 23.6 | Very low | 25.7 | Very low | 200 Ų | 200 | 147.5 Ų | 147.5 | 94% | 0.935 | 76% | 0.763 | S | S | * | * | trans | -50.5 | 136.9 | 154.7 | -61.7 | 162.5 | 110.1 | 0 | 0 | 109 | ||||
| 1294 | M | 23.9 | Very low | 25.6 | Very low | 171 Ų | 171 | 148 Ų | 148 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | trans | -137 | 81.3 | 176.4 | -152.2 | 168.4 | -164.2 | 0 | 0 | 109.4 | ||||
| 1295 | G | 23.8 | Very low | 25.6 | Very low | 76 Ų | 76 | 148.5 Ų | 148.5 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | -70.7 | 127.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1297 | G1295-N1297 VanDerWaalsContact C-N 3.3Å; G1295-N1297 PolarHBondContact O-N 3.15Å | ||
| 1296 | F | 24.7 | Very low | 25.5 | Very low | 181 Ų | 181 | 150.1 Ų | 150.1 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -82.6 | 69.3 | 175.7 | -88.5 | -86.7 | 0 | 0 | 0 | 112.5 | H1298 | F1296-H1298 VanDerWaalsContact C-N 3.27Å; F1296-H1298 PolarHBondContact O-N 3.33Å | ||
| 1297 | N | 23.4 | Very low | 25.4 | Very low | 166 Ų | 166 | 152 Ų | 152 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -71.5 | 83.5 | 162 | -97.6 | -28.5 | 0 | 0 | 0 | 109.6 | G1295 | G1295-N1297 VanDerWaalsContact C-N 3.3Å; G1295-N1297 PolarHBondContact O-N 3.15Å | ||
| 1298 | H | 27.6 | Very low | 25.3 | Very low | 123 Ų | 123 | 155.1 Ų | 155.1 | 57% | 0.569 | 81% | 0.806 | S | S | * | * | trans | -105.8 | 20 | -178.4 | -124 | -82.7 | 0 | 0 | 0 | 115.4 | F1296 S1300 | F1296-H1298 VanDerWaalsContact C-N 3.27Å; F1296-H1298 PolarHBondContact O-N 3.33Å; H1298-S1300 PolarHBondContact O-N 3.44Å | ||
| 1299 | G | 26 | Very low | 25.1 | Very low | 85 Ų | 85 | 152 Ų | 152 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -71.3 | 31.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1300 | S | 26.4 | Very low | 25 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -168.1 | 84.2 | 168.2 | 179.2 | 0 | 0 | 0 | 0 | 113.5 | H1298 | H1298-S1300 PolarHBondContact O-N 3.44Š| ||
| 1301 | L | 26.1 | Very low | 25.1 | Very low | 115 Ų | 115 | 153.8 Ų | 153.8 | 60% | 0.602 | 81% | 0.811 | S | S | * | * | trans | -142.9 | 30.9 | 158.8 | -137.3 | 162.2 | 0 | 0 | 0 | 112.9 | N1303 | L1301-N1303 PolarHBondContact O-N 3.35Š| ||
| 1302 | N | 27.1 | Very low | 25 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 28.3 | -176.8 | -150.9 | 9.4 | 0 | 0 | 0 | 113.2 | ||
| 1303 | N | 25.9 | Very low | 25.1 | Very low | 152 Ų | 152 | 150.4 Ų | 150.4 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.4 | 14.4 | -163.8 | -105.4 | -31.1 | 0 | 0 | 0 | 117.2 | L1301 | L1301-N1303 PolarHBondContact O-N 3.35Š|
| 1304 | L | 24.8 | Very low | 25.1 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -139 | 16 | -179.2 | -143.5 | 85 | 0 | 0 | 0 | 118.1 | ||
| 1305 | I | 26.6 | Very low | 25.2 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -128.3 | 52.5 | 165.5 | -44.2 | -177.6 | 0 | 0 | 0 | 110.4 | ||
| 1306 | Q | 25.4 | Very low | 25.3 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -143.3 | 52.7 | 174.9 | -92.6 | -69.8 | 7.7 | 0 | 0 | 110.6 | ||
| 1307 | T | 24.7 | Very low | 25.6 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | trans | -170 | 67.5 | 168.7 | 10.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1308 | R | 23.8 | Very low | 25.6 | Very low | 240 Ų | 240 | 145.1 Ų | 145.1 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -171 | 148.5 | 143.6 | -110.6 | 157.3 | -167.3 | 168.6 | 7.1 | 114.5 | ||
| 1309 | L | 24.4 | Very low | 25.5 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | 63.8 | 61.3 | 163.1 | -60.7 | 170.7 | 0 | 0 | 0 | 116.6 | ||||
| 1310 | M | 22.4 | Very low | 25.5 | Very low | 182 Ų | 182 | 152.3 Ų | 152.3 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | -59.2 | 123.9 | 122.8 | -82.5 | -177.4 | 161.9 | 0 | 0 | 108.5 | |||||
| 1311 | N | 26.3 | Very low | 25.4 | Very low | 151 Ų | 151 | 152.7 Ų | 152.7 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | 179.2 | 126.2 | 139.5 | -95.1 | -10 | 0 | 0 | 0 | 109 | ||||
| 1312 | D | 23.8 | Very low | 25.5 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -64 | 144 | 173.2 | -49.8 | -90.9 | 0 | 0 | 0 | 111.5 | ||||
| 1313 | T | 25.8 | Very low | 25.3 | Very low | 118 Ų | 118 | 150.9 Ų | 150.9 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | 170 | 122.6 | 107.8 | 33.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1314 | N | 23.8 | Very low | 25.1 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | trans | 63.8 | 134.8 | 138.5 | -57.6 | -29.2 | 0 | 0 | 0 | 123.3 | ||||
| 1315 | S | 26.2 | Very low | 25 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | 92.6 | 116 | 141.8 | 67.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1316 | H | 26.9 | Very low | 24.8 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 52 | 131.4 | 135.9 | -68.3 | -77.9 | 0 | 0 | 0 | 119.8 | ||||
| 1317 | D | 30.2 | Very low | 24.6 | Very low | 137 Ų | 137 | 146 Ų | 146 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | cis | -154.4 | 171.6 | 18.8 | -103.8 | -36.2 | 0 | 0 | 0 | 113.7 | ||||
| 1318 | N | 24 | Very low | 24.4 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | -70 | 143 | -172.8 | -63.9 | -57.8 | 0 | 0 | 0 | 116.7 | ||||
| 1319 | F | 25.6 | Very low | 24.4 | Very low | 215 Ų | 215 | 140.2 Ų | 140.2 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | -154.7 | 151.7 | 129.5 | -103.5 | -73.1 | 0 | 0 | 0 | 110.1 | |||||
| 1320 | N | 25 | Very low | 24.3 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -91.8 | 147.4 | -153.5 | -76 | -14 | 0 | 0 | 0 | 117.8 | ||||
| 1321 | S | 24.9 | Very low | 24.3 | Very low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 62.7 | 96 | 155.5 | -154.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1322 | P | 27.9 | Very low | 24.1 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | -137.1 | 176.7 | 95.8 | 40.2 | -30.4 | 0 | 0 | 0 | 114.3 | |||||
| 1323 | C | 22.7 | Very low | 24.1 | Very low | 123 Ų | 123 | 132 Ų | 132 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | 40.5 | 126.3 | 158.4 | -63.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1324 | S | 22.8 | Very low | 24 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | trans | 94.6 | 134.1 | 134.9 | -151.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1325 | L | 22.2 | Very low | 24 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | 72.7 | 160.8 | 143.6 | -89.6 | 169.9 | 0 | 0 | 0 | 123.4 | ||||
| 1326 | V | 22.1 | Very low | 23.9 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | trans | 103.1 | 89.9 | 156.4 | -168.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1327 | L | 21.4 | Very low | 23.7 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | 68.1 | 144.6 | 128.2 | -68.5 | 179.5 | 0 | 0 | 0 | 125.6 | |||||
| 1328 | M | 20.9 | Very low | 23.4 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 67.5 | 106.3 | 148.6 | -73 | -170.3 | 78.7 | 0 | 0 | 121.5 | ||||
| 1329 | S | 22.8 | Very low | 23.3 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | 4.9 | 123.3 | 126.5 | 58.2 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1330 | S | 22 | Very low | 23.2 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | -164.8 | 133.3 | 113.4 | -157.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1331 | T | 23.3 | Very low | 23.1 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | trans | 36.6 | 112.6 | 141.7 | 59.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1332 | D | 22.2 | Very low | 23 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | 72.4 | 148.8 | 117.6 | -64 | -59.8 | 0 | 0 | 0 | 123.9 | |||||
| 1333 | T | 23 | Very low | 22.7 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 62.6 | 109.2 | 158.8 | 46.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1334 | K | 23.4 | Very low | 22.7 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | 77.7 | 148.6 | 72.3 | -81.8 | -173.9 | 174.7 | 175.1 | 0 | 113.6 | |||||
| 1335 | E | 23.8 | Very low | 22.7 | Very low | 177 Ų | 177 | 146 Ų | 146 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | 72.5 | 147.9 | 174.8 | -53.4 | -145.8 | 115.1 | 0 | 0 | 115.2 | ||||
| 1336 | K | 24.2 | Very low | 22.8 | Very low | 174 Ų | 174 | 145 Ų | 145 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | cis | 165.2 | 155.6 | -27.5 | -120.7 | -178.9 | 176.2 | 177.2 | 0 | 105 | ||||
| 1337 | V | 22.5 | Very low | 22.7 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 62% | 0.624 | 75% | 0.746 | S | S | * | * | trans | 61.5 | 90 | 151.2 | 177.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1338 | K | 24.7 | Very low | 22.8 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | 179.5 | 130.3 | 117.3 | -95.1 | 144.9 | -168.5 | 163.3 | 0 | 108.9 | |||||
| 1339 | E | 22.3 | Very low | 22.8 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | cis | 65.7 | 136.1 | 49.5 | -64.5 | -166.2 | 124.9 | 0 | 0 | 114.6 | ||||
| 1340 | M | 22.3 | Very low | 22.8 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | trans | 92.3 | 105.2 | -174.9 | -57.7 | 178.9 | 61.1 | 0 | 0 | 113.4 | ||||
| 1341 | N | 23 | Very low | 22.9 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | 80.2 | 155.3 | 51.8 | -63 | -21.2 | 0 | 0 | 0 | 113.2 | |||||
| 1342 | E | 23.4 | Very low | 22.9 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | trans | 73.7 | 103.6 | 172.9 | -64.8 | 172.6 | 120.9 | 0 | 0 | 115 | ||||
| 1343 | Y | 22.5 | Very low | 23 | Very low | 202 Ų | 202 | 148.7 Ų | 148.7 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | 91 | 141.2 | 56.6 | -89 | -76.6 | 0 | 0 | 0 | 112.1 | |||||
| 1344 | D | 22.5 | Very low | 23.2 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 66% | 0.658 | 73% | 0.729 | S | S | * | * | trans | 69.1 | 110.7 | 142.7 | -75.6 | -0.9 | 0 | 0 | 0 | 122 | ||||
| 1345 | L | 22.2 | Very low | 23.4 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | 97.5 | 160.6 | 117.9 | -108.9 | 65.1 | 0 | 0 | 0 | 121.1 | |||||
| 1346 | I | 24 | Very low | 23.6 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | trans | 65.8 | 91.3 | 159.3 | -62.2 | 151.4 | 0 | 0 | 0 | 115.2 | ||||
| 1347 | N | 21.3 | Very low | 23.6 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | 62.5 | 78.7 | 68 | -171.1 | 15.3 | 0 | 0 | 0 | 115.2 | |||||
| 1348 | C | 21.6 | Very low | 23.7 | Very low | 97 Ų | 97 | 140 Ų | 140 | 66% | 0.655 | 72% | 0.716 | S | S | * | * | trans | -163.6 | 115.2 | 144.6 | -104.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1349 | K | 23 | Very low | 23.6 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 71% | 0.709 | 70% | 0.699 | S | S | * | * | 74 | 110.3 | 128.2 | -63.6 | 173.7 | -177.5 | 164.2 | 0 | 123.7 | |||||
| 1350 | Q | 22.5 | Very low | 23.6 | Very low | 145 Ų | 145 | 136 Ų | 136 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | 72.8 | 101.7 | 120.9 | -63.3 | 171.1 | -94.7 | 0 | 0 | 121.7 | |||||
| 1351 | C | 23.6 | Very low | 23.6 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 75% | 0.75 | 70% | 0.696 | S | S | * | * | -174.5 | 125.7 | 100.6 | -86.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1352 | H | 23.9 | Very low | 23.5 | Very low | 150 Ų | 150 | 132 Ų | 132 | 69% | 0.694 | 69% | 0.69 | S | S | * | * | 62.2 | 122.2 | 79.5 | -58.9 | -44 | 0 | 0 | 0 | 112.9 | |||||
| 1353 | L | 23.3 | Very low | 23.4 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 71% | 0.712 | 69% | 0.687 | S | S | * | * | cis | -141.6 | 143.4 | 10 | -70.2 | 99.1 | 0 | 0 | 0 | 108.7 | ||||
| 1354 | S | 26.5 | Very low | 23.4 | Very low | 79 Ų | 79 | 129.9 Ų | 129.9 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | 63.4 | 147.4 | 63.4 | 96.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 1355 | P | 29.4 | Very low | 23.3 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | cis | -129.8 | -175.1 | 14.6 | 42.4 | -27.3 | 0 | 0 | 0 | 115.9 | ||||
| 1356 | S | 26.8 | Very low | 23.3 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | cis | 167.2 | 124.3 | -47.3 | -88.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1357 | R | 24.1 | Very low | 23.4 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | trans | 37.4 | 127.2 | 147.2 | -68.1 | 176.5 | 166.8 | -176.5 | -2.6 | 121 | Q1359 | R1357-Q1359 HydrophobicContact CB-CG 4.49Å; R1357-Q1359 VanDerWaalsContact CD-OE1 3.29Å; R1357-Q1359 HydrophobicContact CG-CG 4.13Å | ||
| 1358 | V | 24.2 | Very low | 23.3 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 65% | 0.648 | 70% | 0.695 | S | S | * | * | -119.5 | 140.5 | 114.6 | 179.5 | 0 | 0 | 0 | 0 | 108 | K1605 | V1358-K1605 HydrophobicContact CG2-CG 4.43Š| |||
| 1359 | Q | 22.3 | Very low | 23.3 | Very low | 92 Ų | 92 | 135 Ų | 135 | 43% | 0.43 | 70% | 0.701 | S | S | . | * | trans | -116.3 | 141.3 | -179.3 | -63.4 | 167.1 | -100.9 | 0 | 0 | 110.7 | R1357 | R1357-Q1359 HydrophobicContact CB-CG 4.49Å; R1357-Q1359 VanDerWaalsContact CD-OE1 3.29Å; R1357-Q1359 HydrophobicContact CG-CG 4.13Å | ||
| 1360 | M | 22.4 | Very low | 23.3 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 85% | 0.852 | 70% | 0.699 | S | S | * | * | trans | -157.7 | 113.3 | 133.7 | -71.3 | -53.6 | -85.5 | 0 | 0 | 103.4 | ||||
| 1361 | N | 22.3 | Very low | 23.3 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 60% | 0.604 | 71% | 0.706 | S | S | * | * | cis | 69 | 132.8 | 28.3 | -124.1 | 82 | 0 | 0 | 0 | 112.9 | ||||
| 1362 | C | 21.9 | Very low | 23.3 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | trans | 77.4 | 144.2 | 175.1 | -60.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1363 | L | 20.8 | Very low | 23.2 | Very low | 128 Ų | 128 | 131 Ų | 131 | 67% | 0.67 | 71% | 0.709 | S | S | * | * | cis | -170.6 | 156 | -25.6 | -141.8 | 58.6 | 0 | 0 | 0 | 109.7 | ||||
| 1364 | Y | 22.5 | Very low | 23.3 | Very low | 187 Ų | 187 | 129 Ų | 129 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | 55.1 | 132.1 | 159.6 | -68 | -55.6 | 0 | 0 | 0 | 122.7 | ||||
| 1365 | K | 21 | Very low | 23.1 | Very low | 187 Ų | 187 | 131 Ų | 131 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | 49.6 | 142.1 | 134.4 | -61.4 | -178 | 173.8 | -176.3 | 0 | 121.5 | ||||
| 1366 | K | 22.7 | Very low | 22.9 | Very low | 201 Ų | 201 | 131.4 Ų | 131.4 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | trans | -40.7 | 141 | 145.9 | -79.3 | -177.3 | 174 | -176.9 | 0 | 109.9 | ||||
| 1367 | P | 24.6 | Very low | 22.8 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | cis | -141.4 | -170.7 | 48.5 | 41.4 | -23.5 | 0 | 0 | 0 | 115.2 | ||||
| 1368 | S | 20.7 | Very low | 22.9 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | trans | -52.4 | 141.6 | 159.8 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1369 | I | 21.8 | Very low | 22.9 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | -177.7 | 142 | 117.3 | -93 | 157.2 | 0 | 0 | 0 | 111.3 | |||||
| 1370 | S | 22.9 | Very low | 23.1 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | trans | 54.4 | 105.1 | 162.8 | 68.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1371 | T | 21.6 | Very low | 23.1 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | 58.1 | 145 | 112 | -24.6 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1372 | I | 23.1 | Very low | 23.2 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 77% | 0.774 | 75% | 0.749 | S | S | * | * | trans | 88.2 | 92.8 | 160.9 | -45.5 | -176.4 | 0 | 0 | 0 | 117.9 | ||||
| 1373 | S | 22.2 | Very low | 23.3 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | 43.8 | 131.2 | 126.4 | -144.3 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1374 | S | 26 | Very low | 23.5 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | -179.1 | 147.8 | 66.4 | 38.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1375 | T | 23 | Very low | 23.6 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | 35.2 | 138.1 | 147.1 | 62.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 1376 | T | 25.2 | Very low | 23.8 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | cis | -142.7 | 152.2 | 38 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1377 | S | 24.8 | Very low | 24 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | cis | 96.7 | 100.7 | 22.3 | -167.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1378 | S | 25.7 | Very low | 24.1 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | -169.1 | 92.6 | 141.4 | 57.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1379 | V | 23.5 | Very low | 24.4 | Very low | 97 Ų | 97 | 132 Ų | 132 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | 70.2 | 105 | 74.1 | 178.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1380 | Y | 25.7 | Very low | 24.5 | Very low | 237 Ų | 237 | 132.3 Ų | 132.3 | 93% | 0.929 | 74% | 0.743 | S | S | * | * | -132 | 145.9 | 113.1 | -101.8 | -84.5 | 0 | 0 | 0 | 108.6 | |||||
| 1381 | L | 22.6 | Very low | 24.7 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | trans | -135.5 | 145 | -172.4 | -94.3 | 168.7 | 0 | 0 | 0 | 109.6 | T1383 | L1381-T1383 HydrophobicContact CD2-CG2 4.42Š| ||
| 1382 | E | 26 | Very low | 24.7 | Very low | 188 Ų | 188 | 135.8 Ų | 135.8 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | -168.8 | 82.1 | 144.1 | -108.7 | 167 | -163.6 | 0 | 0 | 107.2 | ||||
| 1383 | T | 22.5 | Very low | 24.7 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 60% | 0.595 | 75% | 0.749 | S | S | * | * | 55.8 | 109.5 | 91.8 | 64.1 | 0 | 0 | 0 | 0 | 115.5 | L1381 | L1381-T1383 HydrophobicContact CD2-CG2 4.42Š| |||
| 1384 | I | 25.3 | Very low | 24.7 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 86% | 0.862 | 75% | 0.753 | S | S | * | * | -172.2 | 136.3 | 111.8 | -91.4 | 152.1 | 0 | 0 | 0 | 109.2 | |||||
| 1385 | Q | 24.7 | Very low | 24.7 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -147.8 | 139.2 | 173.8 | -170.6 | -172.6 | 21.6 | 0 | 0 | 109.2 | ||||
| 1386 | P | 26.2 | Very low | 24.8 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | trans | -144.2 | 163.4 | 133 | 37 | -23.5 | 0 | 0 | 0 | 112.8 | ||||
| 1387 | N | 26 | Very low | 24.8 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | cis | -170.1 | 143 | -21.4 | -97.2 | -22.2 | 0 | 0 | 0 | 107.8 | ||||
| 1388 | L | 26.3 | Very low | 24.9 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 28.9 | 172.5 | 147.4 | -100.9 | 62.2 | 0 | 0 | 0 | 123.1 | ||||
| 1389 | P | 26.9 | Very low | 24.8 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | cis | -119.2 | 165.9 | -19.3 | 40.1 | -26.1 | 0 | 0 | 0 | 111.9 | ||||
| 1390 | Q | 23.7 | Very low | 25.1 | Very low | 162 Ų | 162 | 146.5 Ų | 146.5 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | cis | 74.9 | 111.1 | 40.7 | -86.3 | -168.9 | -18 | 0 | 0 | 117.6 | ||||
| 1391 | N | 26.9 | Very low | 25.2 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | -174.6 | 126.2 | 139.2 | -89.5 | -33.2 | 0 | 0 | 0 | 108 | ||||
| 1392 | L | 23.3 | Very low | 25.5 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | 67.9 | 137.1 | 81 | -101.6 | 74.6 | 0 | 0 | 0 | 114 | |||||
| 1393 | C | 22.9 | Very low | 25.7 | Very low | 117 Ų | 117 | 140 Ų | 140 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | cis | -157.8 | 176 | -2.6 | -154.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1394 | N | 21.7 | Very low | 25.9 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | -96.2 | 165.1 | 177.2 | -114.8 | -8.3 | 0 | 0 | 0 | 114 | ||||
| 1395 | N | 25.7 | Very low | 26.1 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | -64.1 | 147.3 | -164.5 | -56.4 | -49.6 | 0 | 0 | 0 | 118.2 | ||||
| 1396 | K | 24.7 | Very low | 26.2 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | 151.5 | 122.4 | 118.4 | -84.7 | 171 | -179.3 | 169.9 | 0 | 113.7 | |||||
| 1397 | S | 24.7 | Very low | 26.4 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | 175.6 | 135.2 | 135.4 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1398 | L | 27.6 | Very low | 26.5 | Very low | 137 Ų | 137 | 139 Ų | 139 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | 63.6 | 108.1 | 151.7 | -86 | 72.6 | 0 | 0 | 0 | 122 | ||||
| 1399 | E | 24.1 | Very low | 26.6 | Very low | 164 Ų | 164 | 138.1 Ų | 138.1 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | 80.4 | 141.9 | 115.6 | -72.2 | 166.5 | -174.4 | 0 | 0 | 123.9 | |||||
| 1400 | D | 29.9 | Very low | 26.8 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | trans | 78.9 | 90.1 | 153.5 | -72 | 12 | 0 | 0 | 0 | 124.1 | ||||
| 1401 | N | 27.9 | Very low | 27.1 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | 79.9 | 105.2 | 115.9 | -53.8 | -26.2 | 0 | 0 | 0 | 122.5 | |||||
| 1402 | D | 27.4 | Very low | 27.1 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | 80.7 | 157 | 121.2 | -57 | -22.7 | 0 | 0 | 0 | 124.1 | |||||
| 1403 | I | 30.2 | Very low | 27.4 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | trans | 86.6 | 72.7 | 160 | -37.5 | -169.9 | 0 | 0 | 0 | 119.7 | ||||
| 1404 | D | 27.3 | Very low | 27.5 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | 61.8 | 148 | 107.6 | -113.3 | -13.9 | 0 | 0 | 0 | 125.7 | |||||
| 1405 | L | 29.9 | Very low | 27.7 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | trans | 76.1 | 109.3 | 148.1 | -66.2 | 164.7 | 0 | 0 | 0 | 123.7 | ||||
| 1406 | N | 26.2 | Very low | 27.7 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | 42.4 | 132.3 | 122.4 | -62.6 | -15.7 | 0 | 0 | 0 | 122.2 | |||||
| 1407 | G | 31.4 | Very low | 27.7 | Very low | 79 Ų | 79 | 131.2 Ų | 131.2 | 81% | 0.814 | 73% | 0.729 | S | S | * | * | trans | -176.7 | 65 | 169.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1408 | N | 28 | Very low | 27.9 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | -27.5 | 142.2 | 172.2 | -77.5 | 14.9 | 0 | 0 | 0 | 120.3 | ||||
| 1409 | N | 28.8 | Very low | 27.8 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 65% | 0.652 | 73% | 0.734 | S | S | * | * | trans | 86.4 | 130 | 131.2 | -78.8 | 49.3 | 0 | 0 | 0 | 123.9 | ||||
| 1410 | D | 30.4 | Very low | 28.1 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | 83.8 | 97.3 | 128.9 | -65.1 | -18.5 | 0 | 0 | 0 | 122.8 | |||||
| 1411 | N | 29.7 | Very low | 27.9 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | 86.4 | 115.4 | 117.4 | -67 | -40.9 | 0 | 0 | 0 | 120.6 | |||||
| 1412 | N | 28.2 | Very low | 27.7 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 63.6 | 110.2 | 136.9 | -53.8 | -23.9 | 0 | 0 | 0 | 118.1 | ||||
| 1413 | N | 28.9 | Very low | 27.6 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | -160.1 | 178.5 | 95.6 | -99.1 | -48 | 0 | 0 | 0 | 113 | |||||
| 1414 | T | 25.7 | Very low | 27.5 | Very low | 109 Ų | 109 | 130 Ų | 130 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | trans | -60.9 | 168.6 | -175.9 | 53.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1415 | D | 26.2 | Very low | 27.5 | Very low | 135 Ų | 135 | 130 Ų | 130 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | trans | 86.7 | 104.5 | 158.1 | -53.3 | -49.7 | 0 | 0 | 0 | 119.2 | ||||
| 1416 | T | 25.1 | Very low | 27.3 | Very low | 119 Ų | 119 | 133 Ų | 133 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 73.2 | 128.4 | 149 | 67.9 | 0 | 0 | 0 | 0 | 120.2 | ||
| 1417 | N | 25.4 | Very low | 27.3 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | 72.4 | 132.2 | 168.5 | -38.4 | -67.3 | 0 | 0 | 0 | 115.4 | ||||
| 1418 | T | 28.8 | Very low | 27 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | trans | 58.2 | 124.4 | -174.4 | 68.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1419 | T | 23.9 | Very low | 26.9 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 82% | 0.816 | 73% | 0.729 | S | S | * | * | S | Bend | cis | -78.7 | 128.7 | 23.5 | 49 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1420 | D | 30.5 | Very low | 26.8 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | trans | -62 | 129.5 | 149.9 | -66.1 | -76.9 | 0 | 0 | 0 | 108.2 | ||||
| 1421 | F | 26.7 | Very low | 26.6 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 73% | 0.728 | 74% | 0.738 | S | S | * | * | 64.8 | 95.2 | 67.3 | -78.6 | -72.6 | 0 | 0 | 0 | 113.8 | |||||
| 1422 | N | 23.7 | Very low | 26.3 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | 72.5 | 128.8 | 155 | -41.3 | -44.9 | 0 | 0 | 0 | 115.1 | ||||
| 1423 | T | 25.5 | Very low | 26.3 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | cis | -127.8 | 160.6 | 40.1 | 47.3 | 0 | 0 | 0 | 0 | 115.7 | H1425 | T1423-H1425 WeakPolarHBondContact CB-NE2 3.37Å; T1423-H1425 PolarHBondContact O-N 2.82Å; T1423-H1425 PolarHBondContact OG1-CD2 3.38Å; T1423-H1425 PolarHBondContact OG1-NE2 2.81Å; T1423-H1425 VanDerWaalsContact OG1-NE2 3.09Å | ||
| 1424 | T | 27.3 | Very low | 26.4 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | trans | -79.3 | 92.2 | -171.4 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1425 | H | 26.5 | Very low | 27.1 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 65% | 0.648 | 74% | 0.736 | S | S | * | * | trans | -124.2 | 98.1 | -174.7 | -70.2 | -69.4 | 0 | 0 | 0 | 117 | T1423 | T1423-H1425 WeakPolarHBondContact CB-NE2 3.37Å; T1423-H1425 PolarHBondContact O-N 2.82Å; T1423-H1425 PolarHBondContact OG1-CD2 3.38Å; T1423-H1425 PolarHBondContact OG1-NE2 2.81Å; T1423-H1425 VanDerWaalsContact OG1-NE2 3.09Å | ||
| 1426 | K | 26.5 | Very low | 28.2 | Very low | 193 Ų | 193 | 130.8 Ų | 130.8 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | 70.5 | 52.4 | 119 | -149.7 | -177.4 | -174.5 | -173.3 | 0 | 117.8 | |||||
| 1427 | I | 26.9 | Very low | 29.8 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 85% | 0.851 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -111.6 | 111.3 | 158.4 | -63.7 | 177.5 | 0 | 0 | 0 | 108.6 | ||
| 1428 | S | 25.2 | Very low | 31.6 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 66% | 0.657 | 68% | 0.676 | S | S | * | * | trans | 46.6 | 84.3 | 178.2 | -153.8 | 0 | 0 | 0 | 0 | 117.7 | N1430 | S1428-N1430 PolarHBondContact O-N 3.03Š| ||
| 1429 | M | 26.2 | Very low | 33.4 | Very low | 158 Ų | 158 | 119.2 Ų | 119.2 | 78% | 0.778 | 64% | 0.64 | S | S | * | * | trans | -85.5 | 33.7 | 161.2 | -88.4 | -80 | -175.5 | 0 | 0 | 111.5 | S1431 | M1429-S1431 PolarHBondContact O-N 2.98Š| ||
| 1430 | N | 25.7 | Very low | 36.1 | Very low | 130 Ų | 130 | 115.3 Ų | 115.3 | 70% | 0.695 | 62% | 0.617 | S | S | * | * | trans | -97.6 | 48.4 | -171.4 | -65 | 21.5 | 0 | 0 | 0 | 112.1 | S1428 | S1428-N1430 PolarHBondContact O-N 3.03Š| ||
| 1431 | S | 25.2 | Very low | 38.5 | Very low | 110 Ų | 110 | 109.4 Ų | 109.4 | 77% | 0.769 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -132.2 | 34.2 | 172.7 | 73.8 | 0 | 0 | 0 | 0 | 111.6 | M1429 | M1429-S1431 PolarHBondContact O-N 2.98Š|
| 1432 | C | 23.9 | Very low | 40.9 | Very low | 112 Ų | 112 | 101.6 Ų | 101.6 | 76% | 0.757 | 55% | 0.552 | S | S | * | * | trans | -139.7 | 38.1 | -178.5 | -168.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1433 | T | 28.7 | Very low | 43.4 | Very low | 92 Ų | 92 | 96.9 Ų | 96.9 | 56% | 0.564 | 53% | 0.528 | S | S | * | . | trans | -97 | -12.7 | -179 | 38.4 | 0 | 0 | 0 | 0 | 113.5 | Y1435 | T1433-Y1435 VanDerWaalsContact C-N 3.28Å; T1433-Y1435 PolarHBondContact O-N 2.89Å | ||
| 1434 | D | 30.2 | Very low | 46 | Very low | 134 Ų | 134 | 92 Ų | 92 | 72% | 0.717 | 50% | 0.498 | S | S | * | . | trans | -92.6 | 52 | -156.6 | -56.6 | -0.1 | 0 | 0 | 0 | 112.5 | ||||
| 1435 | Y | 41.1 | Very low | 48.5 | Very low | 198 Ų | 198 | 85.8 Ų | 85.8 | 78% | 0.776 | 46% | 0.459 | S | S | * | . | trans | -72.7 | 128.1 | 160.4 | -107.9 | -88.8 | 0 | 0 | 0 | 108.6 | T1433 N1437 | T1433-Y1435 VanDerWaalsContact C-N 3.28Å; T1433-Y1435 PolarHBondContact O-N 2.89Å; Y1435-N1437 PolarHBondContact O-N 3.3Å | ||
| 1436 | P | 49.8 | Very low | 50.7 | Low | 33 Ų | 33 | 81.1 Ų | 81.1 | 21% | 0.214 | 44% | 0.438 | C | S | . | . | trans | -67.8 | 106.9 | -177.5 | 26.8 | -33.9 | 0 | 0 | 0 | 110.4 | P599 V600 L1438 | P599-P1436 HydrophobicContact CB-CB 4.07Å; V600-P1436 HydrophobicContact CG2-CB 3.96Å; V600-P1436 HydrophobicContact CG2-CG 4.16Å; P1436-L1438 PolarHBondContact O-N 3.39Å | ||
| 1437 | N | 57.4 | Low | 53 | Low | 86 Ų | 86 | 74.7 Ų | 74.7 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | trans | -59.4 | 124.9 | 177.8 | -176 | -16.8 | 0 | 0 | 0 | 110 | Y1435 G1439 T1443 | Y1435-N1437 PolarHBondContact O-N 3.3Å; N1437-G1439 PolarHBondContact O-N 3.16Å; N1437-G1439 PolarHBondContact OD1-N 2.77Å; N1437-T1443 PolarHBondContact OD1-OG1 2.85Å | ||
| 1438 | L | 64 | Low | 55.4 | Low | 52 Ų | 52 | 69.8 Ų | 69.8 | 27% | 0.272 | 38% | 0.383 | S | S | . | . | trans | -68.3 | -0.2 | -177.9 | -70.9 | 126.2 | 0 | 0 | 0 | 113.8 | H596 P1436 L1442 F1446 I1481 | H596-L1438 VanDerWaalsContact CB-O 3.32Å; H596-L1438 WeakPolarHBondContact CB-O 3.34Å; P1436-L1438 PolarHBondContact O-N 3.39Å; L1438-L1442 HydrophobicContact CB-CB 4.06Å; L1438-L1442 HydrophobicContact CB-CD1 4.49Å; L1438-F1446 HydrophobicContact CD2-CE2 4.48Å; L1438-I1481 HydrophobicContact CD2-CD1 4.19Å; L1438-I1481 HydrophobicContact CD2-CG2 3.82Å | ||
| 1439 | G | 67.5 | Low | 57.5 | Low | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | trans | 94.5 | 151.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1437 F1441 L1442 T1443 | N1437-G1439 PolarHBondContact O-N 3.16Å; N1437-G1439 PolarHBondContact OD1-N 2.77Å; G1439-F1441 PolarHBondContact O-N 2.98Å; G1439-F1441 VanDerWaalsContact O-N 3.15Å; G1439-L1442 PolarHBondContact O-N 3.15Å; G1439-T1443 VanDerWaalsContact O-CB 3.3Å; G1439-T1443 WeakPolarHBondContact O-CB 3.18Å; G1439-T1443 PolarHBondContact O-N 3.29Å; G1439-T1443 PolarHBondContact O-OG1 3.06Å; G1439-T1443 VanDerWaalsContact O-OG1 3.08Å | ||
| 1440 | P | 79.2 | Confident | 59.6 | Low | 50 Ų | 50 | 65 Ų | 65 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.2 | -35.5 | -173.7 | 24 | -34.2 | 0 | 0 | 0 | 112 | I559 T1444 | I559-P1440 HydrophobicContact CD1-CG 4.44Å; I559-P1440 HydrophobicContact CG2-CB 4.16Å; P1440-T1444 WeakPolarHBondContact O-CB 3.33Å; P1440-T1444 PolarHBondContact O-N 3.1Å; P1440-T1444 PolarHBondContact O-OG1 3.3Å |
| 1441 | F | 81.9 | Confident | 61.7 | Low | 1 Ų | 1 | 61.4 Ų | 61.4 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.9 | -56.9 | 178.5 | -178 | -116.1 | 0 | 0 | 0 | 113.3 | I559 I562 M577 I581 L592 V593 G1439 T1444 L1445 L1470 | I559-F1441 HydrophobicContact CD1-CB 4.08Å; I559-F1441 HydrophobicContact CG1-CB 4.36Å; I559-F1441 HydrophobicContact CG1-CD2 4.2Å; I562-F1441 HydrophobicContact CD1-CD2 4.03Å; I562-F1441 HydrophobicContact CD1-CE2 3.95Å; M577-F1441 HydrophobicContact CG-CE2 4.46Å; M577-F1441 HydrophobicContact SD-CD2 4.26Å; M577-F1441 HydrophobicContact SD-CE2 3.73Å; M577-F1441 HydrophobicContact SD-CZ 4.45Å; I581-F1441 HydrophobicContact CD1-CE1 3.7Å; I581-F1441 HydrophobicContact CD1-CZ 3.43Å; I581-F1441 VanDerWaalsContact CD1-CZ 3.43Å; L592-F1441 HydrophobicContact CB-CD1 4.08Å; L592-F1441 HydrophobicContact CB-CG 4.47Å; L592-F1441 HydrophobicContact CD1-CD1 4.41Å; L592-F1441 HydrophobicContact CD1-CE1 4.44Å; L592-F1441 HydrophobicContact CD2-CB 4.28Å; L592-F1441 HydrophobicContact CD2-CG 4.36Å; V593-F1441 HydrophobicContact CG2-CD1 4.39Å; G1439-F1441 PolarHBondContact O-N 2.98Å; G1439-F1441 VanDerWaalsContact O-N 3.15Å; F1441-T1444 PolarHBondContact O-N 2.57Å; F1441-L1445 HydrophobicContact CD1-CD1 4.32Å; F1441-L1445 HydrophobicContact CE1-CD1 3.7Å; F1441-L1445 HydrophobicContact CE2-CD1 4.01Å; F1441-L1445 HydrophobicContact CE2-CD2 4.44Å; F1441-L1445 HydrophobicContact CE2-CG 4.19Å; F1441-L1445 HydrophobicContact CZ-CD1 3.52Å; F1441-L1445 HydrophobicContact CZ-CG 4.21Å; F1441-L1445 WeakPolarHBondContact O-CG 3.24Å; F1441-L1445 PolarHBondContact O-N 2.93Å; F1441-L1470 HydrophobicContact CE1-CD1 4.11Å |
| 1442 | L | 77.3 | Confident | 63.6 | Low | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.7 | -41.2 | -179.2 | -69.7 | -175.5 | 0 | 0 | 0 | 111.8 | V593 L597 L1438 G1439 T1444 L1445 F1446 L1470 L1478 | V593-L1442 HydrophobicContact CG1-CD1 4.26Å; V593-L1442 HydrophobicContact CG2-CD2 4.25Å; V593-L1442 HydrophobicContact CG2-CG 4.4Å; L597-L1442 HydrophobicContact CD2-CD1 4.06Å; L1438-L1442 HydrophobicContact CB-CB 4.06Å; L1438-L1442 HydrophobicContact CB-CD1 4.49Å; G1439-L1442 PolarHBondContact O-N 3.15Å; L1442-T1444 VanDerWaalsContact C-N 3.33Å; L1442-T1444 PolarHBondContact O-N 2.78Å; L1442-L1445 PolarHBondContact O-N 2.76Å; L1442-F1446 HydrophobicContact CB-CD2 4.27Å; L1442-F1446 HydrophobicContact CB-CE2 4.04Å; L1442-F1446 WeakPolarHBondContact O-CB 3.33Å; L1442-F1446 WeakPolarHBondContact O-CD2 3.46Å; L1442-F1446 WeakPolarHBondContact O-CG 3.36Å; L1442-F1446 PolarHBondContact O-N 2.9Å; L1442-L1470 HydrophobicContact CD2-CD1 4.17Å; L1442-L1478 HydrophobicContact CD1-CD1 4.48Å |
| 1443 | T | 76.3 | Confident | 65.5 | Low | 40 Ų | 40 | 55.6 Ų | 55.6 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 176 | -62.3 | 0 | 0 | 0 | 0 | 111 | N1437 G1439 F1446 N1447 | N1437-T1443 PolarHBondContact OD1-OG1 2.85Å; G1439-T1443 VanDerWaalsContact O-CB 3.3Å; G1439-T1443 WeakPolarHBondContact O-CB 3.18Å; G1439-T1443 PolarHBondContact O-N 3.29Å; G1439-T1443 PolarHBondContact O-OG1 3.06Å; G1439-T1443 VanDerWaalsContact O-OG1 3.08Å; T1443-F1446 PolarHBondContact O-N 3.46Å; T1443-N1447 VanDerWaalsContact O-CB 3.3Å; T1443-N1447 WeakPolarHBondContact O-CB 3.49Å; T1443-N1447 PolarHBondContact O-N 2.9Å; T1443-N1447 PolarHBondContact O-ND2 3.34Å; T1443-N1447 PolarHBondContact O-OD1 3.3Å |
| 1444 | T | 78.7 | Confident | 67.6 | Low | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | 176.6 | -67.5 | 0 | 0 | 0 | 0 | 113 | I562 H563 P1440 F1441 L1442 R1448 | I562-T1444 HydrophobicContact CB-CG2 3.82Å; I562-T1444 HydrophobicContact CG2-CG2 3.86Å; H563-T1444 PolarHBondContact CE1-OG1 3.25Å; H563-T1444 PolarHBondContact NE2-OG1 2.85Å; P1440-T1444 WeakPolarHBondContact O-CB 3.33Å; P1440-T1444 PolarHBondContact O-N 3.1Å; P1440-T1444 PolarHBondContact O-OG1 3.3Å; F1441-T1444 PolarHBondContact O-N 2.57Å; L1442-T1444 VanDerWaalsContact C-N 3.33Å; L1442-T1444 PolarHBondContact O-N 2.78Å; T1444-R1448 WeakPolarHBondContact O-CG 3.47Å; T1444-R1448 PolarHBondContact O-N 3.07Å; T1444-R1448 VanDerWaalsContact O-N 3.13Å |
| 1445 | L | 79.5 | Confident | 69.7 | Low | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 173.7 | -70.2 | -176.8 | 0 | 0 | 0 | 111.8 | I562 F1441 L1442 R1448 L1449 L1463 L1466 L1470 | I562-L1445 HydrophobicContact CG2-CD2 4.46Å; F1441-L1445 HydrophobicContact CD1-CD1 4.32Å; F1441-L1445 HydrophobicContact CE1-CD1 3.7Å; F1441-L1445 HydrophobicContact CE2-CD1 4.01Å; F1441-L1445 HydrophobicContact CE2-CD2 4.44Å; F1441-L1445 HydrophobicContact CE2-CG 4.19Å; F1441-L1445 HydrophobicContact CZ-CD1 3.52Å; F1441-L1445 HydrophobicContact CZ-CG 4.21Å; F1441-L1445 WeakPolarHBondContact O-CG 3.24Å; F1441-L1445 PolarHBondContact O-N 2.93Å; L1442-L1445 PolarHBondContact O-N 2.76Å; L1445-R1448 PolarHBondContact O-N 3.2Å; L1445-L1449 WeakPolarHBondContact O-CB 3.21Å; L1445-L1449 PolarHBondContact O-N 3.3Å; L1445-L1463 HydrophobicContact CB-CD1 4.39Å; L1445-L1463 HydrophobicContact CD2-CD1 3.83Å; L1445-L1466 HydrophobicContact CD2-CD1 4.15Å; L1445-L1470 HydrophobicContact CD1-CD1 3.74Å |
| 1446 | F | 73.7 | Confident | 71.3 | Confident | 43 Ų | 43 | 42 Ų | 42 | 19% | 0.189 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | 179.8 | -67.7 | -48.7 | 0 | 0 | 0 | 112.4 | L1438 L1442 T1443 R1448 L1449 E1450 L1482 | L1438-F1446 HydrophobicContact CD2-CE2 4.48Å; L1442-F1446 HydrophobicContact CB-CD2 4.27Å; L1442-F1446 HydrophobicContact CB-CE2 4.04Å; L1442-F1446 WeakPolarHBondContact O-CB 3.33Å; L1442-F1446 WeakPolarHBondContact O-CD2 3.46Å; L1442-F1446 WeakPolarHBondContact O-CG 3.36Å; L1442-F1446 PolarHBondContact O-N 2.9Å; T1443-F1446 PolarHBondContact O-N 3.46Å; F1446-R1448 PolarHBondContact O-N 3.23Å; F1446-L1449 HydrophobicContact CD1-CD2 3.88Å; F1446-L1449 HydrophobicContact CE1-CD2 4.33Å; F1446-L1449 WeakPolarHBondContact O-CB 3.41Å; F1446-L1449 PolarHBondContact O-N 3.42Å; F1446-E1450 PolarHBondContact O-N 2.91Å; F1446-L1482 HydrophobicContact CE1-CD2 3.8Å; F1446-L1482 HydrophobicContact CZ-CD2 3.72Å |
| 1447 | N | 75.6 | Confident | 72.4 | Confident | 57 Ų | 57 | 45.6 Ų | 45.6 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.7 | -27 | 174.4 | -68.5 | -2.8 | 0 | 0 | 0 | 112.7 | T1443 N1451 | T1443-N1447 VanDerWaalsContact O-CB 3.3Å; T1443-N1447 WeakPolarHBondContact O-CB 3.49Å; T1443-N1447 PolarHBondContact O-N 2.9Å; T1443-N1447 PolarHBondContact O-ND2 3.34Å; T1443-N1447 PolarHBondContact O-OD1 3.3Å; N1447-N1451 PolarHBondContact O-ND2 3.49Å |
| 1448 | R | 75.4 | Confident | 73.3 | Confident | 63 Ų | 63 | 43.8 Ų | 43.8 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -86 | -23.9 | 171.7 | -68.1 | -62.3 | 178.4 | -115.7 | 5.8 | 113.5 | H563 C565 T1444 L1445 F1446 N1451 F1452 N1455 L1463 | H563-R1448 PolarHBondContact O-NE 2.96Å; H563-R1448 PolarHBondContact O-NH2 3.37Å; C565-R1448 VanDerWaalsContact SG-CD 3.54Å; T1444-R1448 WeakPolarHBondContact O-CG 3.47Å; T1444-R1448 PolarHBondContact O-N 3.07Å; T1444-R1448 VanDerWaalsContact O-N 3.13Å; L1445-R1448 PolarHBondContact O-N 3.2Å; F1446-R1448 PolarHBondContact O-N 3.23Å; R1448-N1451 CarbonylContact O-C 3.57Å; R1448-N1451 PolarHBondContact O-N 3.14Å; R1448-F1452 PolarHBondContact O-N 3.1Å; R1448-N1455 PolarHBondContact O-ND2 3.01Å; R1448-L1463 HydrophobicContact CB-CD2 4.29Å |
| 1449 | L | 70.9 | Confident | 74 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -74.5 | -34.6 | 172.8 | -171.1 | 61.4 | 0 | 0 | 0 | 112.8 | L1445 F1446 N1451 F1452 L1463 I1467 I1520 | L1445-L1449 WeakPolarHBondContact O-CB 3.21Å; L1445-L1449 PolarHBondContact O-N 3.3Å; F1446-L1449 HydrophobicContact CD1-CD2 3.88Å; F1446-L1449 HydrophobicContact CE1-CD2 4.33Å; F1446-L1449 WeakPolarHBondContact O-CB 3.41Å; F1446-L1449 PolarHBondContact O-N 3.42Å; L1449-N1451 PolarHBondContact O-N 3.36Å; L1449-F1452 HydrophobicContact CD1-CD2 4.3Å; L1449-F1452 WeakPolarHBondContact O-CB 3.4Å; L1449-F1452 PolarHBondContact O-N 3.17Å; L1449-L1463 HydrophobicContact CB-CD2 4.31Å; L1449-L1463 HydrophobicContact CD1-CD2 4.23Å; L1449-L1463 HydrophobicContact CD1-CG 4.4Å; L1449-I1467 HydrophobicContact CB-CD1 4.38Å; L1449-I1467 HydrophobicContact CD1-CD1 3.55Å; L1449-I1467 HydrophobicContact CD2-CD1 3.53Å; L1449-I1467 HydrophobicContact CG-CD1 4.01Å; L1449-I1520 HydrophobicContact CD1-CD1 4Å; L1449-I1520 HydrophobicContact CD1-CG1 4.03Å; L1449-I1520 HydrophobicContact CD1-CG2 4.34Å; L1449-I1520 HydrophobicContact CD2-CD1 3.47Å; L1449-I1520 VanDerWaalsContact CD2-CD1 3.47Å; L1449-I1520 HydrophobicContact CD2-CG1 4.35Å; L1449-I1520 HydrophobicContact CG-CD1 3.84Å; L1449-I1520 HydrophobicContact CG-CG1 4.18Å |
| 1450 | E | 69.3 | Low | 74.4 | Confident | 140 Ų | 140 | 42 Ų | 42 | 65% | 0.654 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -62.4 | -35.8 | 167.8 | -174.9 | 172 | -148.4 | 0 | 0 | 111.2 | F1446 F1452 | F1446-E1450 PolarHBondContact O-N 2.91Å; E1450-F1452 VanDerWaalsContact C-N 3.32Å; E1450-F1452 PolarHBondContact O-N 2.8Å |
| 1451 | N | 69.9 | Low | 74.2 | Confident | 54 Ų | 54 | 42.5 Ų | 42.5 | 29% | 0.289 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 21 | 178.4 | -79.9 | -84 | 0 | 0 | 0 | 114.5 | N1447 R1448 L1449 T1453 N1454 N1455 | N1447-N1451 PolarHBondContact O-ND2 3.49Å; R1448-N1451 CarbonylContact O-C 3.57Å; R1448-N1451 PolarHBondContact O-N 3.14Å; L1449-N1451 PolarHBondContact O-N 3.36Å; N1451-T1453 PolarHBondContact O-N 3.05Å; N1451-N1454 HydrophobicContact CB-CB 4.45Å; N1451-N1454 WeakPolarHBondContact O-CA 3.17Å; N1451-N1454 WeakPolarHBondContact O-CB 3.44Å; N1451-N1454 PolarHBondContact O-N 2.95Å; N1451-N1454 PolarHBondContact OD1-ND2 2.81Å; N1451-N1455 PolarHBondContact O-N 3.23Å; N1451-N1455 PolarHBondContact O-OD1 3.27Å |
| 1452 | F | 65.9 | Low | 74 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -32.3 | -173.4 | -164.3 | -101.5 | 0 | 0 | 0 | 114.6 | R1448 L1449 E1450 N1454 N1460 L1463 L1523 I1524 Q1527 | R1448-F1452 PolarHBondContact O-N 3.1Å; L1449-F1452 HydrophobicContact CD1-CD2 4.3Å; L1449-F1452 WeakPolarHBondContact O-CB 3.4Å; L1449-F1452 PolarHBondContact O-N 3.17Å; E1450-F1452 VanDerWaalsContact C-N 3.32Å; E1450-F1452 PolarHBondContact O-N 2.8Å; F1452-N1454 VanDerWaalsContact C-N 3.32Å; F1452-N1460 HydrophobicContact CD2-CB 4.38Å; F1452-N1460 WeakPolarHBondContact CD2-OD1 3.27Å; F1452-N1460 HydrophobicContact CE2-CB 3.8Å; F1452-N1460 WeakPolarHBondContact CE2-OD1 3.32Å; F1452-N1460 HydrophobicContact CZ-CB 3.96Å; F1452-N1460 PolarHBondContact O-ND2 2.84Å; F1452-N1460 PolarHBondContact O-OD1 3.31Å; F1452-L1463 HydrophobicContact CD2-CD2 4.34Å; F1452-L1523 HydrophobicContact CD1-CB 3.87Å; F1452-L1523 HydrophobicContact CE1-CB 4.01Å; F1452-I1524 HydrophobicContact CE1-CG1 4.34Å; F1452-I1524 HydrophobicContact CE2-CG1 4.46Å; F1452-I1524 HydrophobicContact CZ-CG1 3.75Å; F1452-Q1527 HydrophobicContact CE1-CG 3.88Å |
| 1453 | T | 64.2 | Low | 74 | Confident | 92 Ų | 92 | 43.1 Ų | 43.1 | 56% | 0.564 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -18.5 | 176.9 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | N1451 L1523 | N1451-T1453 PolarHBondContact O-N 3.05Å; T1453-L1523 HydrophobicContact CG2-CD2 4.33Å |
| 1454 | N | 72.5 | Confident | 73.7 | Confident | 98 Ų | 98 | 43.2 Ų | 43.2 | 52% | 0.524 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -11.5 | -173.8 | -55.2 | -20 | 0 | 0 | 0 | 112 | N566 N1451 F1452 | N566-N1454 PolarHBondContact ND2-O 2.91Å; N1451-N1454 HydrophobicContact CB-CB 4.45Å; N1451-N1454 WeakPolarHBondContact O-CA 3.17Å; N1451-N1454 WeakPolarHBondContact O-CB 3.44Å; N1451-N1454 PolarHBondContact O-N 2.95Å; N1451-N1454 PolarHBondContact OD1-ND2 2.81Å; F1452-N1454 VanDerWaalsContact C-N 3.32Å |
| 1455 | N | 73.8 | Confident | 73.4 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 10% | 0.096 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -80.5 | 153.3 | 177.7 | -59.3 | -24.4 | 0 | 0 | 0 | 111.7 | N566 R1448 N1451 N1460 | N566-N1455 VanDerWaalsContact OD1-CA 3.25Å; N566-N1455 WeakPolarHBondContact OD1-CA 3.45Å; R1448-N1455 PolarHBondContact O-ND2 3.01Å; N1451-N1455 PolarHBondContact O-N 3.23Å; N1451-N1455 PolarHBondContact O-OD1 3.27Å; N1455-N1460 VanDerWaalsContact CB-OD1 3.26Å; N1455-N1460 WeakPolarHBondContact CB-OD1 3.32Å; N1455-N1460 PolarHBondContact ND2-OD1 3.26Å |
| 1456 | C | 74.8 | Confident | 73.2 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | trans | -69.1 | 159.1 | 170.5 | 80.2 | 0 | 0 | 0 | 0 | 112.4 | P379 C565 N566 Y1458 A1459 N1460 | P379-C1456 HydrophobicContact CB-CB 4.31Å; P379-C1456 HydrophobicContact CG-CB 4.44Å; C565-C1456 PolarHBondContact O-SG 3.29Å; N566-C1456 PolarHBondContact OD1-N 3.2Å; C1456-Y1458 PolarHBondContact O-N 2.77Å; C1456-A1459 PolarHBondContact O-N 2.76Å; C1456-A1459 VanDerWaalsContact SG-CB 3.55Å; C1456-A1459 PolarHBondContact SG-N 3.24Å; C1456-A1459 VanDerWaalsContact SG-N 3.45Å; C1456-N1460 PolarHBondContact O-N 3.34Å | ||
| 1457 | F | 73 | Confident | 73.2 | Confident | 109 Ų | 109 | 44.6 Ų | 44.6 | 48% | 0.478 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56 | -47.5 | -177 | 175 | -105.1 | 0 | 0 | 0 | 113.2 | N1460 L1461 | F1457-N1460 PolarHBondContact O-N 3.01Å; F1457-L1461 HydrophobicContact CD1-CD1 4.18Å; F1457-L1461 HydrophobicContact CE1-CD1 3.56Å; F1457-L1461 HydrophobicContact CE1-CG 4.22Å; F1457-L1461 HydrophobicContact CE2-CD2 4.45Å; F1457-L1461 HydrophobicContact CE2-CG 4.45Å; F1457-L1461 HydrophobicContact CZ-CD1 3.79Å; F1457-L1461 HydrophobicContact CZ-CD2 4.23Å; F1457-L1461 HydrophobicContact CZ-CG 4.13Å; F1457-L1461 PolarHBondContact O-N 3.45Å |
| 1458 | Y | 75.2 | Confident | 72.8 | Confident | 48 Ų | 48 | 45 Ų | 45 | 19% | 0.188 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 179.8 | -58 | -69.6 | 0 | 0 | 0 | 112 | P379 P383 I571 C1456 N1460 L1461 Y1462 | P379-Y1458 WeakPolarHBondContact O-CD2 3.26Å; P379-Y1458 WeakPolarHBondContact O-CE2 3.36Å; P383-Y1458 HydrophobicContact CG-CE1 3.83Å; P383-Y1458 VanDerWaalsContact CG-OH 3.24Å; P383-Y1458 WeakPolarHBondContact CG-OH 3.32Å; I571-Y1458 HydrophobicContact CD1-CD2 4.12Å; I571-Y1458 HydrophobicContact CD1-CG 4.36Å; C1456-Y1458 PolarHBondContact O-N 2.77Å; Y1458-N1460 VanDerWaalsContact C-N 3.32Å; Y1458-N1460 PolarHBondContact O-N 3.43Å; Y1458-L1461 WeakPolarHBondContact O-CB 3.38Å; Y1458-L1461 PolarHBondContact O-N 2.85Å; Y1458-L1461 VanDerWaalsContact O-N 3.16Å; Y1458-Y1462 VanDerWaalsContact O-CD2 3.28Å; Y1458-Y1462 WeakPolarHBondContact O-CD2 3.29Å; Y1458-Y1462 PolarHBondContact O-N 3.23Å |
| 1459 | A | 78.7 | Confident | 72.6 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C565 M574 C1456 Y1462 L1463 | C565-A1459 HydrophobicContact CB-CB 3.98Å; C565-A1459 WeakPolarHBondContact O-CB 3.34Å; M574-A1459 WeakPolarHBondContact CE-O 3.37Å; M574-A1459 HydrophobicContact SD-CB 4.1Å; C1456-A1459 PolarHBondContact O-N 2.76Å; C1456-A1459 VanDerWaalsContact SG-CB 3.55Å; C1456-A1459 PolarHBondContact SG-N 3.24Å; C1456-A1459 VanDerWaalsContact SG-N 3.45Å; A1459-Y1462 PolarHBondContact O-N 2.84Å; A1459-L1463 WeakPolarHBondContact O-CB 3.26Å; A1459-L1463 PolarHBondContact O-N 3.33Å |
| 1460 | N | 76.6 | Confident | 72.5 | Confident | 13 Ų | 13 | 42.3 Ų | 42.3 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.3 | -32.6 | 174.6 | -81.3 | -22.6 | 0 | 0 | 0 | 113.4 | F1452 N1455 C1456 F1457 Y1458 T1464 | F1452-N1460 HydrophobicContact CD2-CB 4.38Å; F1452-N1460 WeakPolarHBondContact CD2-OD1 3.27Å; F1452-N1460 HydrophobicContact CE2-CB 3.8Å; F1452-N1460 WeakPolarHBondContact CE2-OD1 3.32Å; F1452-N1460 HydrophobicContact CZ-CB 3.96Å; F1452-N1460 PolarHBondContact O-ND2 2.84Å; F1452-N1460 PolarHBondContact O-OD1 3.31Å; N1455-N1460 VanDerWaalsContact CB-OD1 3.26Å; N1455-N1460 WeakPolarHBondContact CB-OD1 3.32Å; N1455-N1460 PolarHBondContact ND2-OD1 3.26Å; C1456-N1460 PolarHBondContact O-N 3.34Å; F1457-N1460 PolarHBondContact O-N 3.01Å; Y1458-N1460 VanDerWaalsContact C-N 3.32Å; Y1458-N1460 PolarHBondContact O-N 3.43Å; N1460-T1464 VanDerWaalsContact O-CB 3.29Å; N1460-T1464 WeakPolarHBondContact O-CB 3.41Å; N1460-T1464 PolarHBondContact O-N 3.42Å; N1460-T1464 PolarHBondContact O-OG1 3.49Å |
| 1461 | L | 75.6 | Confident | 72.3 | Confident | 61 Ų | 61 | 35.9 Ų | 35.9 | 32% | 0.319 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.1 | -54.6 | 170.4 | -69.6 | 179.4 | 0 | 0 | 0 | 110.8 | F1457 Y1458 L1463 T1464 N1465 Y1563 | F1457-L1461 HydrophobicContact CD1-CD1 4.18Å; F1457-L1461 HydrophobicContact CE1-CD1 3.56Å; F1457-L1461 HydrophobicContact CE1-CG 4.22Å; F1457-L1461 HydrophobicContact CE2-CD2 4.45Å; F1457-L1461 HydrophobicContact CE2-CG 4.45Å; F1457-L1461 HydrophobicContact CZ-CD1 3.79Å; F1457-L1461 HydrophobicContact CZ-CD2 4.23Å; F1457-L1461 HydrophobicContact CZ-CG 4.13Å; F1457-L1461 PolarHBondContact O-N 3.45Å; Y1458-L1461 WeakPolarHBondContact O-CB 3.38Å; Y1458-L1461 PolarHBondContact O-N 2.85Å; Y1458-L1461 VanDerWaalsContact O-N 3.16Å; L1461-L1463 PolarHBondContact O-N 2.94Å; L1461-T1464 PolarHBondContact O-N 3.34Å; L1461-N1465 PolarHBondContact O-N 2.92Å; L1461-Y1563 HydrophobicContact CD1-CD2 4.32Å |
| 1462 | Y | 76.8 | Confident | 72.1 | Confident | 15 Ų | 15 | 36.4 Ų | 36.4 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 179.5 | -77.6 | -72.5 | 0 | 0 | 0 | 112.8 | W382 I571 M574 S575 N578 Y1458 A1459 T1464 N1465 L1466 Y1563 | W382-Y1462 HydrophobicContact CZ2-CE2 4.4Å; W382-Y1462 WeakPolarHBondContact CZ2-OH 3.36Å; W382-Y1462 AromaticContact NE1-CE2 3.69Å; W382-Y1462 AromaticContact NE1-CZ 3.93Å; W382-Y1462 PolarHBondContact NE1-OH 3.49Å; I571-Y1462 HydrophobicContact CG2-CD2 4.03Å; I571-Y1462 HydrophobicContact CG2-CE2 3.78Å; M574-Y1462 HydrophobicContact CB-CG 4.29Å; S575-Y1462 VanDerWaalsContact CA-CE1 3.49Å; S575-Y1462 WeakPolarHBondContact CB-OH 3.35Å; S575-Y1462 WeakPolarHBondContact OG-CE1 3.26Å; S575-Y1462 PolarHBondContact OG-OH 3.1Å; N578-Y1462 HydrophobicContact CB-CD1 4.3Å; Y1458-Y1462 VanDerWaalsContact O-CD2 3.28Å; Y1458-Y1462 WeakPolarHBondContact O-CD2 3.29Å; Y1458-Y1462 PolarHBondContact O-N 3.23Å; A1459-Y1462 PolarHBondContact O-N 2.84Å; Y1462-T1464 VanDerWaalsContact C-N 3.32Å; Y1462-T1464 PolarHBondContact O-N 3.05Å; Y1462-N1465 PolarHBondContact O-N 2.73Å; Y1462-L1466 VanDerWaalsContact O-CB 3.3Å; Y1462-L1466 WeakPolarHBondContact O-CB 3.16Å; Y1462-L1466 WeakPolarHBondContact O-CD1 3.29Å; Y1462-L1466 VanDerWaalsContact O-CG 3.25Å; Y1462-L1466 WeakPolarHBondContact O-CG 3.16Å; Y1462-L1466 PolarHBondContact O-N 2.92Å; Y1462-Y1563 HydrophobicContact CE1-CE1 4.43Å; Y1462-Y1563 HydrophobicContact CE2-CE1 4.34Å; Y1462-Y1563 AromaticContact CZ-CE1 3.85Å; Y1462-Y1563 WeakPolarHBondContact OH-CE1 3.35Å |
| 1463 | L | 78.3 | Confident | 71.9 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -44 | 175.7 | -174 | 57.4 | 0 | 0 | 0 | 111.2 | M574 L1445 R1448 L1449 F1452 A1459 L1461 I1467 | M574-L1463 HydrophobicContact CE-CB 3.77Å; M574-L1463 HydrophobicContact CE-CD1 4.41Å; L1445-L1463 HydrophobicContact CB-CD1 4.39Å; L1445-L1463 HydrophobicContact CD2-CD1 3.83Å; R1448-L1463 HydrophobicContact CB-CD2 4.29Å; L1449-L1463 HydrophobicContact CB-CD2 4.31Å; L1449-L1463 HydrophobicContact CD1-CD2 4.23Å; L1449-L1463 HydrophobicContact CD1-CG 4.4Å; F1452-L1463 HydrophobicContact CD2-CD2 4.34Å; A1459-L1463 WeakPolarHBondContact O-CB 3.26Å; A1459-L1463 PolarHBondContact O-N 3.33Å; L1461-L1463 PolarHBondContact O-N 2.94Å; L1463-I1467 HydrophobicContact CD1-CD1 3.81Å; L1463-I1467 HydrophobicContact CD1-CG1 4.45Å; L1463-I1467 HydrophobicContact CG-CD1 3.88Å; L1463-I1467 WeakPolarHBondContact O-CB 3.41Å; L1463-I1467 WeakPolarHBondContact O-CD1 3.48Å; L1463-I1467 VanDerWaalsContact O-CG1 3.23Å; L1463-I1467 WeakPolarHBondContact O-CG1 3.46Å; L1463-I1467 PolarHBondContact O-N 3.02Å |
| 1464 | T | 69.7 | Low | 71.6 | Confident | 42 Ų | 42 | 37.8 Ų | 37.8 | 26% | 0.258 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | N1460 L1461 Y1462 S1468 I1524 | N1460-T1464 VanDerWaalsContact O-CB 3.29Å; N1460-T1464 WeakPolarHBondContact O-CB 3.41Å; N1460-T1464 PolarHBondContact O-N 3.42Å; N1460-T1464 PolarHBondContact O-OG1 3.49Å; L1461-T1464 PolarHBondContact O-N 3.34Å; Y1462-T1464 VanDerWaalsContact C-N 3.32Å; Y1462-T1464 PolarHBondContact O-N 3.05Å; T1464-S1468 VanDerWaalsContact O-CB 3.24Å; T1464-S1468 WeakPolarHBondContact O-CB 3.4Å; T1464-S1468 PolarHBondContact O-N 3.4Å; T1464-I1524 HydrophobicContact CG2-CD1 3.6Å; T1464-I1524 HydrophobicContact CG2-CG1 4.32Å |
| 1465 | N | 71.2 | Confident | 71.1 | Confident | 57 Ų | 57 | 34.6 Ų | 34.6 | 31% | 0.305 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.2 | -47.4 | 179.4 | -155.6 | 60.5 | 0 | 0 | 0 | 111.9 | N578 L1461 Y1462 I1467 S1468 S1469 | N578-N1465 PolarHBondContact OD1-ND2 3.32Å; L1461-N1465 PolarHBondContact O-N 2.92Å; Y1462-N1465 PolarHBondContact O-N 2.73Å; N1465-I1467 VanDerWaalsContact C-N 3.34Å; N1465-I1467 PolarHBondContact O-N 2.79Å; N1465-S1468 CarbonylContact O-C 3.56Å; N1465-S1468 WeakPolarHBondContact O-CA 3.44Å; N1465-S1468 WeakPolarHBondContact O-CB 3.32Å; N1465-S1468 PolarHBondContact O-N 3.19Å; N1465-S1469 PolarHBondContact O-N 3.32Å |
| 1466 | L | 76.9 | Confident | 70.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52 | -49.4 | 173.7 | -77.2 | 163.4 | 0 | 0 | 0 | 111.9 | M574 M577 N578 I581 L1445 Y1462 S1468 S1469 L1470 | M574-L1466 HydrophobicContact CB-CD1 4.35Å; M574-L1466 HydrophobicContact CE-CD1 4.08Å; M577-L1466 HydrophobicContact CB-CD2 4.25Å; N578-L1466 HydrophobicContact CB-CD2 4.01Å; N578-L1466 HydrophobicContact CB-CG 4.29Å; I581-L1466 HydrophobicContact CD1-CD2 3.9Å; L1445-L1466 HydrophobicContact CD2-CD1 4.15Å; Y1462-L1466 VanDerWaalsContact O-CB 3.3Å; Y1462-L1466 WeakPolarHBondContact O-CB 3.16Å; Y1462-L1466 WeakPolarHBondContact O-CD1 3.29Å; Y1462-L1466 VanDerWaalsContact O-CG 3.25Å; Y1462-L1466 WeakPolarHBondContact O-CG 3.16Å; Y1462-L1466 PolarHBondContact O-N 2.92Å; L1466-S1468 VanDerWaalsContact C-N 3.33Å; L1466-S1468 PolarHBondContact O-N 2.64Å; L1466-S1469 PolarHBondContact O-N 3.12Å; L1466-L1470 WeakPolarHBondContact O-CB 3.38Å; L1466-L1470 VanDerWaalsContact O-CG 3.23Å; L1466-L1470 WeakPolarHBondContact O-CG 3.46Å; L1466-L1470 PolarHBondContact O-N 2.84Å |
| 1467 | I | 72.2 | Confident | 69.5 | Low | 25 Ų | 25 | 37.5 Ų | 37.5 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.5 | -34.8 | 178.5 | -66.5 | 162.9 | 0 | 0 | 0 | 111.3 | L1449 L1463 N1465 A1471 L1482 | L1449-I1467 HydrophobicContact CB-CD1 4.38Å; L1449-I1467 HydrophobicContact CD1-CD1 3.55Å; L1449-I1467 HydrophobicContact CD2-CD1 3.53Å; L1449-I1467 HydrophobicContact CG-CD1 4.01Å; L1463-I1467 HydrophobicContact CD1-CD1 3.81Å; L1463-I1467 HydrophobicContact CD1-CG1 4.45Å; L1463-I1467 HydrophobicContact CG-CD1 3.88Å; L1463-I1467 WeakPolarHBondContact O-CB 3.41Å; L1463-I1467 WeakPolarHBondContact O-CD1 3.48Å; L1463-I1467 VanDerWaalsContact O-CG1 3.23Å; L1463-I1467 WeakPolarHBondContact O-CG1 3.46Å; L1463-I1467 PolarHBondContact O-N 3.02Å; N1465-I1467 VanDerWaalsContact C-N 3.34Å; N1465-I1467 PolarHBondContact O-N 2.79Å; I1467-A1471 WeakPolarHBondContact O-CB 3.39Å; I1467-A1471 PolarHBondContact O-N 2.8Å; I1467-L1482 HydrophobicContact CG2-CD2 4.46Å |
| 1468 | S | 67.4 | Low | 68.9 | Low | 64 Ų | 64 | 32.3 Ų | 32.3 | 45% | 0.448 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.8 | -46.2 | 175 | -178 | 0 | 0 | 0 | 0 | 112.1 | T1464 N1465 L1466 A1471 S1472 | T1464-S1468 VanDerWaalsContact O-CB 3.24Å; T1464-S1468 WeakPolarHBondContact O-CB 3.4Å; T1464-S1468 PolarHBondContact O-N 3.4Å; N1465-S1468 CarbonylContact O-C 3.56Å; N1465-S1468 WeakPolarHBondContact O-CA 3.44Å; N1465-S1468 WeakPolarHBondContact O-CB 3.32Å; N1465-S1468 PolarHBondContact O-N 3.19Å; L1466-S1468 VanDerWaalsContact C-N 3.33Å; L1466-S1468 PolarHBondContact O-N 2.64Å; S1468-A1471 PolarHBondContact O-N 3.37Å; S1468-S1472 PolarHBondContact O-N 3.38Å |
| 1469 | S | 71 | Confident | 67.9 | Low | 16 Ų | 16 | 33.3 Ų | 33.3 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 173.5 | -74.2 | 0 | 0 | 0 | 0 | 110.7 | D582 N1465 L1466 A1471 S1472 Y1473 | D582-S1469 WeakPolarHBondContact OD1-CB 3.48Å; D582-S1469 PolarHBondContact OD1-OG 3.28Å; N1465-S1469 PolarHBondContact O-N 3.32Å; L1466-S1469 PolarHBondContact O-N 3.12Å; S1469-A1471 PolarHBondContact O-N 3.45Å; S1469-S1472 VanDerWaalsContact O-CB 3.31Å; S1469-S1472 WeakPolarHBondContact O-CB 3.37Å; S1469-S1472 PolarHBondContact O-N 3.04Å; S1469-S1472 PolarHBondContact O-OG 2.74Å; S1469-Y1473 WeakPolarHBondContact O-CD2 3.39Å |
| 1470 | L | 70.4 | Confident | 66.6 | Low | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 174.7 | -73.1 | 171.1 | 0 | 0 | 0 | 112.8 | I581 M589 V593 F1441 L1442 L1445 L1466 S1472 Y1473 L1478 L1482 | I581-L1470 HydrophobicContact CD1-CD2 4.2Å; I581-L1470 HydrophobicContact CD1-CG 4.44Å; M589-L1470 HydrophobicContact CE-CD2 3.98Å; M589-L1470 HydrophobicContact SD-CD2 4.36Å; V593-L1470 HydrophobicContact CG2-CD2 4.12Å; F1441-L1470 HydrophobicContact CE1-CD1 4.11Å; L1442-L1470 HydrophobicContact CD2-CD1 4.17Å; L1445-L1470 HydrophobicContact CD1-CD1 3.74Å; L1466-L1470 WeakPolarHBondContact O-CB 3.38Å; L1466-L1470 VanDerWaalsContact O-CG 3.23Å; L1466-L1470 WeakPolarHBondContact O-CG 3.46Å; L1466-L1470 PolarHBondContact O-N 2.84Å; L1470-S1472 PolarHBondContact O-N 3.32Å; L1470-Y1473 PolarHBondContact O-N 3.07Å; L1470-L1478 HydrophobicContact CB-CD2 4.37Å; L1470-L1478 HydrophobicContact CD2-CD2 4.34Å; L1470-L1478 VanDerWaalsContact O-CD2 3.24Å; L1470-L1478 WeakPolarHBondContact O-CD2 3.43Å; L1470-L1482 HydrophobicContact CB-CD1 4.48Å |
| 1471 | A | 64.5 | Low | 65.6 | Low | 5 Ų | 5 | 35.3 Ų | 35.3 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -25.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1467 S1468 S1469 R1479 L1482 F1483 T1644 | I1467-A1471 WeakPolarHBondContact O-CB 3.39Å; I1467-A1471 PolarHBondContact O-N 2.8Å; S1468-A1471 PolarHBondContact O-N 3.37Å; S1469-A1471 PolarHBondContact O-N 3.45Å; A1471-R1479 PolarHBondContact O-NE 3.46Å; A1471-L1482 HydrophobicContact CB-CD1 4Å; A1471-F1483 HydrophobicContact CB-CE2 3.94Å; A1471-F1483 HydrophobicContact CB-CZ 3.85Å; A1471-T1644 HydrophobicContact CB-CG2 4.25Å |
| 1472 | S | 64.8 | Low | 64.6 | Low | 64 Ų | 64 | 33.5 Ų | 33.5 | 45% | 0.448 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.1 | -30.3 | -179.3 | 85.6 | 0 | 0 | 0 | 0 | 113 | S1468 S1469 L1470 R1479 | S1468-S1472 PolarHBondContact O-N 3.38Å; S1469-S1472 VanDerWaalsContact O-CB 3.31Å; S1469-S1472 WeakPolarHBondContact O-CB 3.37Å; S1469-S1472 PolarHBondContact O-N 3.04Å; S1469-S1472 PolarHBondContact O-OG 2.74Å; L1470-S1472 PolarHBondContact O-N 3.32Å; S1472-R1479 PolarHBondContact O-NH2 2.84Å |
| 1473 | Y | 62.8 | Low | 63.3 | Low | 27 Ų | 27 | 35.7 Ų | 35.7 | 11% | 0.106 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -58.6 | 142.2 | -179.8 | -76.8 | -88.9 | 0 | 0 | 0 | 112.3 | I581 H584 M589 S1469 L1470 I1475 R1479 | I581-Y1473 HydrophobicContact CG2-CE2 4.06Å; I581-Y1473 PolarHBondContact O-OH 2.87Å; H584-Y1473 WeakPolarHBondContact CA-OH 3.37Å; H584-Y1473 AromaticContact ND1-CZ 3.57Å; H584-Y1473 PolarHBondContact ND1-OH 3.16Å; M589-Y1473 HydrophobicContact CE-CD1 4.16Å; M589-Y1473 HydrophobicContact CE-CD2 3.78Å; M589-Y1473 HydrophobicContact CE-CE1 4.1Å; M589-Y1473 HydrophobicContact CE-CE2 3.73Å; M589-Y1473 HydrophobicContact CE-CG 4Å; M589-Y1473 HydrophobicContact CG-CE1 4.01Å; M589-Y1473 HydrophobicContact SD-CE1 4.29Å; M589-Y1473 HydrophobicContact SD-CE2 3.92Å; S1469-Y1473 WeakPolarHBondContact O-CD2 3.39Å; L1470-Y1473 PolarHBondContact O-N 3.07Å; Y1473-I1475 HydrophobicContact CD1-CD1 4.5Å; Y1473-I1475 HydrophobicContact CG-CD1 4.34Å; Y1473-I1475 PolarHBondContact O-N 3.25Å; Y1473-R1479 VanDerWaalsContact O-CZ 3.29Å; Y1473-R1479 PolarHBondContact O-NE 3.43Å; Y1473-R1479 PolarHBondContact O-NH2 3.37Å |
| 1474 | P | 57.3 | Low | 61.8 | Low | 102 Ų | 102 | 39.4 Ų | 39.4 | 66% | 0.662 | 23% | 0.225 | S | C | * | . | trans | -75.3 | 10.4 | -176.6 | 32 | -36.6 | 0 | 0 | 0 | 114.7 | P1476 | P1474-P1476 WeakPolarHBondContact O-CD 3.48Š| ||
| 1475 | I | 62.6 | Low | 60.3 | Low | 31 Ų | 31 | 42.4 Ų | 42.4 | 16% | 0.159 | 24% | 0.243 | C | C | . | . | trans | -70.3 | 114.9 | -175.4 | -57.4 | 154.1 | 0 | 0 | 0 | 109.8 | M589 L594 Y1473 L1477 L1478 R1479 | M589-I1475 HydrophobicContact CE-CD1 4.15Å; L594-I1475 HydrophobicContact CD2-CD1 3.74Å; L594-I1475 HydrophobicContact CD2-CG1 4.1Å; L594-I1475 HydrophobicContact CD2-CG2 3.76Å; Y1473-I1475 HydrophobicContact CD1-CD1 4.5Å; Y1473-I1475 HydrophobicContact CG-CD1 4.34Å; Y1473-I1475 PolarHBondContact O-N 3.25Å; I1475-L1477 VanDerWaalsContact C-N 3.3Å; I1475-L1477 HydrophobicContact CG2-CB 4.1Å; I1475-L1477 PolarHBondContact O-N 2.95Å; I1475-L1478 HydrophobicContact CB-CB 3.94Å; I1475-L1478 HydrophobicContact CD1-CD2 4.08Å; I1475-L1478 HydrophobicContact CG2-CB 3.95Å; I1475-L1478 PolarHBondContact O-N 3.25Å; I1475-R1479 PolarHBondContact O-N 3.12Å | ||
| 1476 | P | 54.4 | Low | 58.3 | Low | 81 Ų | 81 | 45.6 Ų | 45.6 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.7 | -31.9 | -177.2 | -25.6 | 37.9 | 0 | 0 | 0 | 113.5 | W611 P1474 A1480 | W611-P1476 HydrophobicContact CE3-CB 3.97Å; W611-P1476 HydrophobicContact CH2-CB 4.06Å; W611-P1476 HydrophobicContact CZ3-CB 3.4Å; P1474-P1476 WeakPolarHBondContact O-CD 3.48Å; P1476-A1480 WeakPolarHBondContact O-CA 3.19Å; P1476-A1480 WeakPolarHBondContact O-CB 3.39Å; P1476-A1480 PolarHBondContact O-N 3.08Å |
| 1477 | L | 60.1 | Low | 56.2 | Low | 22 Ų | 22 | 48 Ų | 48 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 173.5 | -102 | 153.1 | 0 | 0 | 0 | 113.1 | L597 R601 L604 W611 I1475 A1480 I1481 | L597-L1477 HydrophobicContact CB-CD2 4.48Å; L597-L1477 HydrophobicContact CD1-CB 4.06Å; R601-L1477 HydrophobicContact CB-CD1 3.78Å; R601-L1477 HydrophobicContact CB-CD2 4.25Å; R601-L1477 HydrophobicContact CG-CD1 3.97Å; L604-L1477 HydrophobicContact CD1-CD2 3.97Å; W611-L1477 HydrophobicContact CH2-CB 4.4Å; W611-L1477 HydrophobicContact CH2-CG 3.8Å; W611-L1477 HydrophobicContact CZ2-CD1 4.3Å; W611-L1477 HydrophobicContact CZ2-CG 3.9Å; I1475-L1477 VanDerWaalsContact C-N 3.3Å; I1475-L1477 HydrophobicContact CG2-CB 4.1Å; I1475-L1477 PolarHBondContact O-N 2.95Å; L1477-A1480 WeakPolarHBondContact O-CB 3.5Å; L1477-A1480 PolarHBondContact O-N 3.09Å; L1477-I1481 WeakPolarHBondContact O-CG1 3.45Å; L1477-I1481 PolarHBondContact O-N 3.26Å |
| 1478 | L | 59.6 | Low | 54.5 | Low | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70 | -42.6 | -179 | -175.9 | 59.5 | 0 | 0 | 0 | 110.8 | M589 V593 L597 L1442 L1470 I1475 A1480 I1481 L1482 | M589-L1478 HydrophobicContact CE-CD2 4.42Å; V593-L1478 HydrophobicContact CG1-CD1 4.01Å; V593-L1478 HydrophobicContact CG1-CD2 4.22Å; L597-L1478 HydrophobicContact CD1-CB 4.11Å; L597-L1478 HydrophobicContact CD1-CD1 4.36Å; L1442-L1478 HydrophobicContact CD1-CD1 4.48Å; L1470-L1478 HydrophobicContact CB-CD2 4.37Å; L1470-L1478 HydrophobicContact CD2-CD2 4.34Å; L1470-L1478 VanDerWaalsContact O-CD2 3.24Å; L1470-L1478 WeakPolarHBondContact O-CD2 3.43Å; I1475-L1478 HydrophobicContact CB-CB 3.94Å; I1475-L1478 HydrophobicContact CD1-CD2 4.08Å; I1475-L1478 HydrophobicContact CG2-CB 3.95Å; I1475-L1478 PolarHBondContact O-N 3.25Å; L1478-A1480 VanDerWaalsContact C-N 3.32Å; L1478-A1480 PolarHBondContact O-N 3.11Å; L1478-I1481 PolarHBondContact O-N 2.93Å; L1478-L1482 HydrophobicContact CD1-CD1 4Å; L1478-L1482 HydrophobicContact CD1-CG 4.35Å; L1478-L1482 HydrophobicContact CG-CD1 3.9Å; L1478-L1482 WeakPolarHBondContact O-CB 3.37Å; L1478-L1482 VanDerWaalsContact O-CG 3.3Å; L1478-L1482 WeakPolarHBondContact O-CG 3.29Å; L1478-L1482 PolarHBondContact O-N 2.87Å |
| 1479 | R | 54.5 | Low | 53.1 | Low | 68 Ų | 68 | 55.4 Ų | 55.4 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.4 | -31.9 | 171.6 | -70.8 | -176.3 | 177.2 | 171.4 | 3.8 | 112.6 | A1471 S1472 Y1473 I1475 F1483 | A1471-R1479 PolarHBondContact O-NE 3.46Å; S1472-R1479 PolarHBondContact O-NH2 2.84Å; Y1473-R1479 VanDerWaalsContact O-CZ 3.29Å; Y1473-R1479 PolarHBondContact O-NE 3.43Å; Y1473-R1479 PolarHBondContact O-NH2 3.37Å; I1475-R1479 PolarHBondContact O-N 3.12Å; R1479-F1483 HydrophobicContact CB-CD2 4.27Å; R1479-F1483 VanDerWaalsContact O-CB 3.27Å; R1479-F1483 WeakPolarHBondContact O-CB 3.32Å; R1479-F1483 WeakPolarHBondContact O-CD2 3.34Å; R1479-F1483 PolarHBondContact O-N 3.29Å |
| 1480 | A | 51.6 | Low | 51.2 | Low | 13 Ų | 13 | 57.6 Ų | 57.6 | 11% | 0.107 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.9 | -56.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | W609 P1476 L1477 L1478 L1482 F1483 L1484 | W609-A1480 HydrophobicContact CZ3-CB 4.47Å; P1476-A1480 WeakPolarHBondContact O-CA 3.19Å; P1476-A1480 WeakPolarHBondContact O-CB 3.39Å; P1476-A1480 PolarHBondContact O-N 3.08Å; L1477-A1480 WeakPolarHBondContact O-CB 3.5Å; L1477-A1480 PolarHBondContact O-N 3.09Å; L1478-A1480 VanDerWaalsContact C-N 3.32Å; L1478-A1480 PolarHBondContact O-N 3.11Å; A1480-L1482 VanDerWaalsContact C-N 3.33Å; A1480-L1482 PolarHBondContact O-N 3Å; A1480-F1483 CarbonylContact O-C 3.42Å; A1480-F1483 PolarHBondContact O-N 3.19Å; A1480-F1483 VanDerWaalsContact O-N 3.14Å; A1480-L1484 HydrophobicContact CB-CD1 3.63Å; A1480-L1484 VanDerWaalsContact O-CA 3.28Å; A1480-L1484 WeakPolarHBondContact O-CA 3.43Å; A1480-L1484 WeakPolarHBondContact O-CB 3.35Å; A1480-L1484 WeakPolarHBondContact O-CD1 3.38Å; A1480-L1484 PolarHBondContact O-N 3.49Å |
| 1481 | I | 56.9 | Low | 49.5 | Very low | 43 Ų | 43 | 62 Ų | 62 | 22% | 0.221 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.9 | -40 | -178.3 | -67.8 | 162.5 | 0 | 0 | 0 | 112.4 | L597 V600 L1438 L1477 L1478 | L597-I1481 HydrophobicContact CD1-CD1 4.15Å; L597-I1481 HydrophobicContact CD2-CD1 3.44Å; L597-I1481 VanDerWaalsContact CD2-CD1 3.44Å; L597-I1481 HydrophobicContact CG-CD1 4.35Å; V600-I1481 HydrophobicContact CG1-CD1 4.04Å; L1438-I1481 HydrophobicContact CD2-CD1 4.19Å; L1438-I1481 HydrophobicContact CD2-CG2 3.82Å; L1477-I1481 WeakPolarHBondContact O-CG1 3.45Å; L1477-I1481 PolarHBondContact O-N 3.26Å; L1478-I1481 PolarHBondContact O-N 2.93Å |
| 1482 | L | 53 | Low | 48.2 | Very low | 24 Ų | 24 | 68.9 Ų | 68.9 | 13% | 0.126 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -76.3 | -21.7 | 178.3 | -68.3 | 169.6 | 0 | 0 | 0 | 114.4 | F1446 I1467 L1470 A1471 L1478 A1480 | F1446-L1482 HydrophobicContact CE1-CD2 3.8Å; F1446-L1482 HydrophobicContact CZ-CD2 3.72Å; I1467-L1482 HydrophobicContact CG2-CD2 4.46Å; L1470-L1482 HydrophobicContact CB-CD1 4.48Å; A1471-L1482 HydrophobicContact CB-CD1 4Å; L1478-L1482 HydrophobicContact CD1-CD1 4Å; L1478-L1482 HydrophobicContact CD1-CG 4.35Å; L1478-L1482 HydrophobicContact CG-CD1 3.9Å; L1478-L1482 WeakPolarHBondContact O-CB 3.37Å; L1478-L1482 VanDerWaalsContact O-CG 3.3Å; L1478-L1482 WeakPolarHBondContact O-CG 3.29Å; L1478-L1482 PolarHBondContact O-N 2.87Å; A1480-L1482 VanDerWaalsContact C-N 3.33Å; A1480-L1482 PolarHBondContact O-N 3Å |
| 1483 | F | 51.2 | Low | 46.7 | Very low | 60 Ų | 60 | 70.2 Ų | 70.2 | 26% | 0.263 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -131.9 | 23.7 | -175 | -55.8 | -70.2 | 0 | 0 | 0 | 114.3 | A1471 R1479 A1480 T1485 P1517 T1644 | A1471-F1483 HydrophobicContact CB-CE2 3.94Å; A1471-F1483 HydrophobicContact CB-CZ 3.85Å; R1479-F1483 HydrophobicContact CB-CD2 4.27Å; R1479-F1483 VanDerWaalsContact O-CB 3.27Å; R1479-F1483 WeakPolarHBondContact O-CB 3.32Å; R1479-F1483 WeakPolarHBondContact O-CD2 3.34Å; R1479-F1483 PolarHBondContact O-N 3.29Å; A1480-F1483 CarbonylContact O-C 3.42Å; A1480-F1483 PolarHBondContact O-N 3.19Å; A1480-F1483 VanDerWaalsContact O-N 3.14Å; F1483-T1485 VanDerWaalsContact C-N 3.28Å; F1483-T1485 PolarHBondContact O-N 2.68Å; F1483-T1485 PolarHBondContact O-OG1 3.14Å; F1483-P1517 HydrophobicContact CD1-CB 4.49Å; F1483-T1644 HydrophobicContact CE2-CG2 4.13Å; F1483-T1644 HydrophobicContact CZ-CG2 3.69Å |
| 1484 | L | 46.9 | Very low | 45.1 | Very low | 79 Ų | 79 | 76.3 Ų | 76.3 | 41% | 0.414 | 41% | 0.414 | S | S | . | . | trans | -68.9 | 83.1 | -177.3 | -138.1 | 84.8 | 0 | 0 | 0 | 110.7 | W609 A1480 T1487 | W609-L1484 HydrophobicContact CH2-CD1 3.52Å; W609-L1484 HydrophobicContact CH2-CG 4.4Å; W609-L1484 HydrophobicContact CZ2-CD1 3.8Å; W609-L1484 HydrophobicContact CZ2-CD2 4.38Å; W609-L1484 HydrophobicContact CZ2-CG 4.28Å; W609-L1484 HydrophobicContact CZ3-CD1 4.37Å; A1480-L1484 HydrophobicContact CB-CD1 3.63Å; A1480-L1484 VanDerWaalsContact O-CA 3.28Å; A1480-L1484 WeakPolarHBondContact O-CA 3.43Å; A1480-L1484 WeakPolarHBondContact O-CB 3.35Å; A1480-L1484 WeakPolarHBondContact O-CD1 3.38Å; A1480-L1484 PolarHBondContact O-N 3.49Å; L1484-T1487 HydrophobicContact CD2-CG2 4.5Å | ||
| 1485 | T | 36.7 | Very low | 44.1 | Very low | 105 Ų | 105 | 75 Ų | 75 | 64% | 0.644 | 41% | 0.412 | S | S | * | . | trans | -111.9 | 9.6 | -169.2 | 43.1 | 0 | 0 | 0 | 0 | 112.2 | F1483 P1517 | F1483-T1485 VanDerWaalsContact C-N 3.28Å; F1483-T1485 PolarHBondContact O-N 2.68Å; F1483-T1485 PolarHBondContact O-OG1 3.14Å; T1485-P1517 HydrophobicContact CG2-CG 4.01Å | ||
| 1486 | N | 29.9 | Very low | 42.6 | Very low | 124 Ų | 124 | 82 Ų | 82 | 66% | 0.663 | 45% | 0.447 | S | S | * | . | trans | -155.8 | 71.2 | -164.6 | -166 | 27.9 | 0 | 0 | 0 | 115.1 | ||||
| 1487 | T | 33.2 | Very low | 41.4 | Very low | 51 Ų | 51 | 81.2 Ų | 81.2 | 31% | 0.313 | 45% | 0.453 | S | S | . | . | trans | -123.6 | 43.1 | 166.3 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | W609 L1484 Q1489 F1490 | W609-T1487 HydrophobicContact CZ2-CG2 3.83Å; L1484-T1487 HydrophobicContact CD2-CG2 4.5Å; T1487-Q1489 PolarHBondContact O-N 2.79Å; T1487-F1490 HydrophobicContact CG2-CD2 4.46Å; T1487-F1490 PolarHBondContact O-N 3.25Å | ||
| 1488 | T | 36.1 | Very low | 39.9 | Very low | 81 Ų | 81 | 84.9 Ų | 84.9 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -0.1 | 171 | 50 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1489 | Q | 37.3 | Very low | 38.5 | Very low | 163 Ų | 163 | 89.3 Ų | 89.3 | 76% | 0.762 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -19.8 | 173 | -66.7 | 177.5 | -21.9 | 0 | 0 | 113.7 | T1487 | T1487-Q1489 PolarHBondContact O-N 2.79Š|
| 1490 | F | 31.5 | Very low | 37.4 | Very low | 63 Ų | 63 | 92.1 Ų | 92.1 | 28% | 0.276 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.9 | -43.9 | 175.4 | -100.3 | -136 | 0 | 0 | 0 | 111.6 | I607 W609 T1487 Q1492 S1493 | I607-F1490 HydrophobicContact CB-CE1 4.09Å; I607-F1490 HydrophobicContact CB-CZ 3.83Å; I607-F1490 HydrophobicContact CD1-CE1 4.43Å; I607-F1490 HydrophobicContact CG2-CD1 4.39Å; I607-F1490 HydrophobicContact CG2-CE1 3.45Å; I607-F1490 VanDerWaalsContact CG2-CE1 3.45Å; I607-F1490 HydrophobicContact CG2-CE2 4.39Å; I607-F1490 HydrophobicContact CG2-CZ 3.44Å; I607-F1490 VanDerWaalsContact CG2-CZ 3.44Å; I607-F1490 WeakPolarHBondContact O-CZ 3.42Å; W609-F1490 AromaticContact CD1-CE2 3.61Å; W609-F1490 AromaticContact CD1-CZ 3.64Å; W609-F1490 AromaticContact NE1-CE2 3.71Å; W609-F1490 AromaticContact NE1-CZ 3.88Å; T1487-F1490 HydrophobicContact CG2-CD2 4.46Å; T1487-F1490 PolarHBondContact O-N 3.25Å; F1490-Q1492 PolarHBondContact O-N 2.97Å; F1490-Q1492 VanDerWaalsContact O-N 3.13Å; F1490-S1493 PolarHBondContact O-N 3.35Å; F1490-S1493 PolarHBondContact O-OG 2.91Å |
| 1491 | T | 35.6 | Very low | 36.3 | Very low | 97 Ų | 97 | 98.7 Ų | 98.7 | 60% | 0.595 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.6 | -5.5 | -176.6 | 47.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1492 | Q | 36.9 | Very low | 35 | Very low | 149 Ų | 149 | 99.8 Ų | 99.8 | 70% | 0.696 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -99.6 | -22.1 | 179.5 | -62.6 | -170.8 | 1.5 | 0 | 0 | 113.8 | F1490 | F1490-Q1492 PolarHBondContact O-N 2.97Å; F1490-Q1492 VanDerWaalsContact O-N 3.13Å |
| 1493 | S | 32 | Very low | 34.2 | Very low | 91 Ų | 91 | 107 Ų | 107 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -86.3 | -34.4 | 177.7 | 56 | 0 | 0 | 0 | 0 | 113.1 | F1490 A1495 | F1490-S1493 PolarHBondContact O-N 3.35Å; F1490-S1493 PolarHBondContact O-OG 2.91Å; S1493-A1495 VanDerWaalsContact C-N 3.32Å; S1493-A1495 PolarHBondContact O-N 3.4Å |
| 1494 | M | 31 | Very low | 33.3 | Very low | 155 Ų | 155 | 110.8 Ų | 110.8 | 76% | 0.764 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -82.2 | -3 | -177.7 | -57.8 | -174.3 | 80.6 | 0 | 0 | 114.3 | M1496 | M1494-M1496 PolarHBondContact O-N 3.46Š|
| 1495 | A | 35.1 | Very low | 32.6 | Very low | 76 Ų | 76 | 113.6 Ų | 113.6 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -85.8 | 4.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1493 | S1493-A1495 VanDerWaalsContact C-N 3.32Å; S1493-A1495 PolarHBondContact O-N 3.4Å |
| 1496 | M | 32.1 | Very low | 32.3 | Very low | 178 Ų | 178 | 117.2 Ų | 117.2 | 88% | 0.877 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -119.6 | 7.9 | -167.2 | -78.5 | -73.7 | -69.4 | 0 | 0 | 115.4 | M1494 | M1494-M1496 PolarHBondContact O-N 3.46Š|
| 1497 | G | 28 | Very low | 32.4 | Very low | 63 Ų | 63 | 114.3 Ų | 114.3 | 65% | 0.649 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -130.9 | 147.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1498 | A | 29.4 | Very low | 32.4 | Very low | 100 Ų | 100 | 118.1 Ų | 118.1 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | trans | -35.9 | 131.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1499 | A | 29.1 | Very low | 32.3 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 76% | 0.76 | 67% | 0.669 | S | S | * | * | cis | 74 | 62.8 | 48.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1500 | T | 32 | Very low | 32.1 | Very low | 127 Ų | 127 | 114.4 Ų | 114.4 | 78% | 0.779 | 66% | 0.655 | S | S | * | * | trans | -166.1 | 168.6 | 137.9 | 21.4 | 0 | 0 | 0 | 0 | 109.8 | S1502 | T1500-S1502 VanDerWaalsContact C-N 3.3Å; T1500-S1502 PolarHBondContact O-N 3.39Å | ||
| 1501 | N | 29.5 | Very low | 32.1 | Very low | 151 Ų | 151 | 117.5 Ų | 117.5 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 56.8 | 28.5 | 176.5 | -64.8 | -3.2 | 0 | 0 | 0 | 117.1 | Q1503 | N1501-Q1503 PolarHBondContact O-N 3.17Š|
| 1502 | S | 29.4 | Very low | 32.1 | Very low | 67 Ų | 67 | 116.8 Ų | 116.8 | 47% | 0.469 | 67% | 0.67 | S | S | . | * | trans | -81.2 | 106.1 | 171 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | T1500 | T1500-S1502 VanDerWaalsContact C-N 3.3Å; T1500-S1502 PolarHBondContact O-N 3.39Å | ||
| 1503 | Q | 35.7 | Very low | 31.8 | Very low | 176 Ų | 176 | 115 Ų | 115 | 82% | 0.822 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -160.9 | -37.9 | 154.8 | -113.2 | 155.4 | 18.5 | 0 | 0 | 115 | N1501 | N1501-Q1503 PolarHBondContact O-N 3.17Š|
| 1504 | I | 31.8 | Very low | 31.8 | Very low | 138 Ų | 138 | 118 Ų | 118 | 71% | 0.708 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -88.4 | -49.5 | -174.8 | -62.3 | 173.4 | 0 | 0 | 0 | 112.5 | R1506 A1507 | I1504-R1506 PolarHBondContact O-N 3.04Å; I1504-A1507 PolarHBondContact O-N 2.87Å |
| 1505 | I | 32.1 | Very low | 32.1 | Very low | 138 Ų | 138 | 116.7 Ų | 116.7 | 71% | 0.708 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -10.4 | -175.5 | -63.3 | 169.1 | 0 | 0 | 0 | 113.2 | ||
| 1506 | R | 31.1 | Very low | 32.3 | Very low | 181 Ų | 181 | 116.3 Ų | 116.3 | 68% | 0.683 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 21.3 | -177.2 | -151.3 | -178.3 | -69 | 161.2 | -3.5 | 113.8 | I1504 | I1504-R1506 PolarHBondContact O-N 3.04Š|
| 1507 | A | 31.5 | Very low | 32.8 | Very low | 63 Ų | 63 | 109.6 Ų | 109.6 | 52% | 0.521 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119 | -33.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1504 | I1504-A1507 PolarHBondContact O-N 2.87Š|
| 1508 | I | 33.3 | Very low | 33.5 | Very low | 131 Ų | 131 | 114 Ų | 114 | 67% | 0.672 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -88.8 | -30.2 | -177.1 | -62.8 | 170 | 0 | 0 | 0 | 111.7 | D1510 | I1508-D1510 PolarHBondContact O-N 2.85Š|
| 1509 | N | 34.8 | Very low | 34 | Very low | 75 Ų | 75 | 112.9 Ų | 112.9 | 40% | 0.401 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | -22.3 | -167.6 | -133.9 | -6.8 | 0 | 0 | 0 | 114.9 | L1513 | N1509-L1513 WeakPolarHBondContact OD1-CD1 3.38Š|
| 1510 | D | 31.8 | Very low | 34.7 | Very low | 91 Ų | 91 | 110.1 Ų | 110.1 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | -15.3 | -167.9 | -74.2 | -54.4 | 0 | 0 | 0 | 115.5 | I1508 | I1508-D1510 PolarHBondContact O-N 2.85Š|
| 1511 | N | 32.7 | Very low | 35.4 | Very low | 128 Ų | 128 | 107.6 Ų | 107.6 | 68% | 0.684 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -32.1 | -175.2 | -80.3 | -46.4 | 0 | 0 | 0 | 115.1 | ||
| 1512 | V | 36.1 | Very low | 36 | Very low | 82 Ų | 82 | 102.4 Ų | 102.4 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -88.4 | -39.2 | -171.5 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1513 | L | 30.6 | Very low | 36.6 | Very low | 113 Ų | 113 | 101.7 Ų | 101.7 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -22.7 | -175.6 | -76.7 | 161.5 | 0 | 0 | 0 | 114.4 | N1509 Y1515 | N1509-L1513 WeakPolarHBondContact OD1-CD1 3.38Å; L1513-Y1515 VanDerWaalsContact C-N 3.28Å; L1513-Y1515 PolarHBondContact O-N 3.32Å |
| 1514 | Y | 31.9 | Very low | 37.1 | Very low | 152 Ų | 152 | 95 Ų | 95 | 60% | 0.596 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -15.3 | -171.2 | -110.7 | -77.2 | 0 | 0 | 0 | 115.6 | ||
| 1515 | Y | 37.2 | Very low | 37.8 | Very low | 129 Ų | 129 | 93 Ų | 93 | 51% | 0.506 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -127.7 | -2.9 | -168.8 | -68.9 | -81.1 | 0 | 0 | 0 | 115.3 | L1513 P1517 Y1518 N1519 | L1513-Y1515 VanDerWaalsContact C-N 3.28Å; L1513-Y1515 PolarHBondContact O-N 3.32Å; Y1515-P1517 VanDerWaalsContact O-N 3.14Å; Y1515-Y1518 WeakPolarHBondContact O-CA 3.29Å; Y1515-Y1518 PolarHBondContact O-N 3.1Å; Y1515-N1519 WeakPolarHBondContact CB-ND2 3.26Å; Y1515-N1519 PolarHBondContact O-N 3.01Å |
| 1516 | L | 38.7 | Very low | 38.6 | Very low | 68 Ų | 68 | 91.5 Ų | 91.5 | 36% | 0.356 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -47.9 | -51 | -163.9 | -152.6 | 70.3 | 0 | 0 | 0 | 114.1 | Y1518 I1520 | L1516-Y1518 VanDerWaalsContact C-N 3.33Å; L1516-Y1518 PolarHBondContact O-N 3.22Å; L1516-I1520 HydrophobicContact CD1-CD1 4.42Å; L1516-I1520 HydrophobicContact CG-CD1 3.89Å; L1516-I1520 WeakPolarHBondContact O-CB 3.27Å; L1516-I1520 VanDerWaalsContact O-CD1 3.28Å; L1516-I1520 WeakPolarHBondContact O-CD1 3.29Å; L1516-I1520 WeakPolarHBondContact O-CG1 3.49Å; L1516-I1520 PolarHBondContact O-N 3.26Å |
| 1517 | P | 42.6 | Very low | 39.2 | Very low | 37 Ų | 37 | 86.1 Ų | 86.1 | 24% | 0.24 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.2 | -26.9 | -179.9 | -18.1 | 33.5 | 0 | 0 | 0 | 114.3 | F1483 T1485 Y1515 L1521 | F1483-P1517 HydrophobicContact CD1-CB 4.49Å; T1485-P1517 HydrophobicContact CG2-CG 4.01Å; Y1515-P1517 VanDerWaalsContact O-N 3.14Å; P1517-L1521 WeakPolarHBondContact O-CD1 3.32Å; P1517-L1521 WeakPolarHBondContact O-CG 3.15Å |
| 1518 | Y | 41.8 | Very low | 39.9 | Very low | 155 Ų | 155 | 87 Ų | 87 | 61% | 0.608 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -83.9 | -44.1 | 179.2 | -176.7 | -97.3 | 0 | 0 | 0 | 111.3 | Y1515 L1516 L1521 C1522 | Y1515-Y1518 WeakPolarHBondContact O-CA 3.29Å; Y1515-Y1518 PolarHBondContact O-N 3.1Å; L1516-Y1518 VanDerWaalsContact C-N 3.33Å; L1516-Y1518 PolarHBondContact O-N 3.22Å; Y1518-L1521 PolarHBondContact O-N 3.41Å; Y1518-C1522 VanDerWaalsContact CE1-SG 3.54Å; Y1518-C1522 WeakPolarHBondContact O-CB 3.35Å; Y1518-C1522 PolarHBondContact O-N 2.88Å |
| 1519 | N | 41.2 | Very low | 40.5 | Very low | 77 Ų | 77 | 84.9 Ų | 84.9 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 178.3 | -78.8 | 4.8 | 0 | 0 | 0 | 111.6 | Y1515 C1522 L1523 | Y1515-N1519 WeakPolarHBondContact CB-ND2 3.26Å; Y1515-N1519 PolarHBondContact O-N 3.01Å; N1519-C1522 PolarHBondContact O-N 3.33Å; N1519-L1523 VanDerWaalsContact O-CB 3.3Å; N1519-L1523 WeakPolarHBondContact O-CB 3.25Å; N1519-L1523 VanDerWaalsContact O-CG 3.24Å; N1519-L1523 WeakPolarHBondContact O-CG 3.37Å; N1519-L1523 PolarHBondContact O-N 3.19Å |
| 1520 | I | 44.1 | Very low | 41 | Very low | 34 Ų | 34 | 85 Ų | 85 | 17% | 0.174 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 174.1 | -67 | 161.3 | 0 | 0 | 0 | 110.7 | L1449 L1516 C1522 L1523 I1524 | L1449-I1520 HydrophobicContact CD1-CD1 4Å; L1449-I1520 HydrophobicContact CD1-CG1 4.03Å; L1449-I1520 HydrophobicContact CD1-CG2 4.34Å; L1449-I1520 HydrophobicContact CD2-CD1 3.47Å; L1449-I1520 VanDerWaalsContact CD2-CD1 3.47Å; L1449-I1520 HydrophobicContact CD2-CG1 4.35Å; L1449-I1520 HydrophobicContact CG-CD1 3.84Å; L1449-I1520 HydrophobicContact CG-CG1 4.18Å; L1516-I1520 HydrophobicContact CD1-CD1 4.42Å; L1516-I1520 HydrophobicContact CG-CD1 3.89Å; L1516-I1520 WeakPolarHBondContact O-CB 3.27Å; L1516-I1520 VanDerWaalsContact O-CD1 3.28Å; L1516-I1520 WeakPolarHBondContact O-CD1 3.29Å; L1516-I1520 WeakPolarHBondContact O-CG1 3.49Å; L1516-I1520 PolarHBondContact O-N 3.26Å; I1520-C1522 VanDerWaalsContact C-N 3.3Å; I1520-C1522 PolarHBondContact O-N 3.44Å; I1520-L1523 PolarHBondContact O-N 2.92Å; I1520-I1524 HydrophobicContact CG2-CD1 3.62Å; I1520-I1524 HydrophobicContact CG2-CG1 4.38Å; I1520-I1524 WeakPolarHBondContact O-CB 3.45Å; I1520-I1524 WeakPolarHBondContact O-CD1 3.34Å; I1520-I1524 VanDerWaalsContact O-CG1 3.27Å; I1520-I1524 WeakPolarHBondContact O-CG1 3.26Å; I1520-I1524 PolarHBondContact O-N 2.81Å |
| 1521 | L | 46.4 | Very low | 41.6 | Very low | 73 Ų | 73 | 85.2 Ų | 85.2 | 38% | 0.382 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.4 | -35.1 | 176.2 | -74.7 | 173.1 | 0 | 0 | 0 | 112.6 | P1517 Y1518 K1525 | P1517-L1521 WeakPolarHBondContact O-CD1 3.32Å; P1517-L1521 WeakPolarHBondContact O-CG 3.15Å; Y1518-L1521 PolarHBondContact O-N 3.41Å; L1521-K1525 WeakPolarHBondContact O-CB 3.37Å; L1521-K1525 PolarHBondContact O-N 2.81Å |
| 1522 | C | 41.3 | Very low | 42.1 | Very low | 43 Ų | 43 | 82.5 Ų | 82.5 | 29% | 0.291 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.4 | -39.1 | 174 | -84.7 | 0 | 0 | 0 | 0 | 112.9 | Y1518 N1519 I1520 K1525 E1526 | Y1518-C1522 VanDerWaalsContact CE1-SG 3.54Å; Y1518-C1522 WeakPolarHBondContact O-CB 3.35Å; Y1518-C1522 PolarHBondContact O-N 2.88Å; N1519-C1522 PolarHBondContact O-N 3.33Å; I1520-C1522 VanDerWaalsContact C-N 3.3Å; I1520-C1522 PolarHBondContact O-N 3.44Å; C1522-K1525 PolarHBondContact O-N 2.95Å; C1522-E1526 VanDerWaalsContact O-CB 3.23Å; C1522-E1526 WeakPolarHBondContact O-CB 3.42Å; C1522-E1526 PolarHBondContact O-N 3.02Å |
| 1523 | L | 43.2 | Very low | 42.5 | Very low | 51 Ų | 51 | 82 Ų | 82 | 27% | 0.267 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.2 | -41.2 | 176.8 | -75.9 | 165.2 | 0 | 0 | 0 | 111.7 | F1452 T1453 N1519 I1520 K1525 E1526 Q1527 | F1452-L1523 HydrophobicContact CD1-CB 3.87Å; F1452-L1523 HydrophobicContact CE1-CB 4.01Å; T1453-L1523 HydrophobicContact CG2-CD2 4.33Å; N1519-L1523 VanDerWaalsContact O-CB 3.3Å; N1519-L1523 WeakPolarHBondContact O-CB 3.25Å; N1519-L1523 VanDerWaalsContact O-CG 3.24Å; N1519-L1523 WeakPolarHBondContact O-CG 3.37Å; N1519-L1523 PolarHBondContact O-N 3.19Å; I1520-L1523 PolarHBondContact O-N 2.92Å; L1523-K1525 VanDerWaalsContact C-N 3.35Å; L1523-E1526 PolarHBondContact O-N 3.12Å; L1523-Q1527 WeakPolarHBondContact O-CB 3.47Å; L1523-Q1527 WeakPolarHBondContact O-CG 3.39Å; L1523-Q1527 PolarHBondContact O-N 2.85Å |
| 1524 | I | 45.5 | Very low | 42.9 | Very low | 37 Ų | 37 | 81.4 Ų | 81.4 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 171.5 | -68.2 | 161.9 | 0 | 0 | 0 | 109.9 | F1452 T1464 I1520 E1526 Q1527 I1528 | F1452-I1524 HydrophobicContact CE1-CG1 4.34Å; F1452-I1524 HydrophobicContact CE2-CG1 4.46Å; F1452-I1524 HydrophobicContact CZ-CG1 3.75Å; T1464-I1524 HydrophobicContact CG2-CD1 3.6Å; T1464-I1524 HydrophobicContact CG2-CG1 4.32Å; I1520-I1524 HydrophobicContact CG2-CD1 3.62Å; I1520-I1524 HydrophobicContact CG2-CG1 4.38Å; I1520-I1524 WeakPolarHBondContact O-CB 3.45Å; I1520-I1524 WeakPolarHBondContact O-CD1 3.34Å; I1520-I1524 VanDerWaalsContact O-CG1 3.27Å; I1520-I1524 WeakPolarHBondContact O-CG1 3.26Å; I1520-I1524 PolarHBondContact O-N 2.81Å; I1524-E1526 VanDerWaalsContact C-N 3.35Å; I1524-E1526 PolarHBondContact O-N 3.25Å; I1524-Q1527 PolarHBondContact O-N 3.15Å; I1524-I1528 HydrophobicContact CG2-CD1 3.86Å; I1524-I1528 WeakPolarHBondContact O-CB 3.22Å; I1524-I1528 VanDerWaalsContact O-CG1 3.29Å; I1524-I1528 WeakPolarHBondContact O-CG1 3.29Å; I1524-I1528 PolarHBondContact O-N 3.33Å |
| 1525 | K | 47 | Very low | 43.2 | Very low | 95 Ų | 95 | 78.9 Ų | 78.9 | 41% | 0.413 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 174.7 | 175.7 | -176.5 | 170 | -64.6 | 0 | 111.9 | L1521 C1522 L1523 I1528 E1529 | L1521-K1525 WeakPolarHBondContact O-CB 3.37Å; L1521-K1525 PolarHBondContact O-N 2.81Å; C1522-K1525 PolarHBondContact O-N 2.95Å; L1523-K1525 VanDerWaalsContact C-N 3.35Å; K1525-I1528 PolarHBondContact O-N 3.09Å; K1525-E1529 VanDerWaalsContact CE-OE1 3.3Å; K1525-E1529 WeakPolarHBondContact CE-OE1 3.49Å; K1525-E1529 IonicContact NZ-OE1 3.12Å; K1525-E1529 PolarHBondContact NZ-OE1 3.3Å; K1525-E1529 IonicContact NZ-OE2 2.93Å; K1525-E1529 PolarHBondContact NZ-OE2 3.07Å; K1525-E1529 WeakPolarHBondContact O-CB 3.38Å; K1525-E1529 WeakPolarHBondContact O-CG 3.33Å; K1525-E1529 PolarHBondContact O-N 2.99Å |
| 1526 | E | 47.8 | Very low | 43.3 | Very low | 107 Ų | 107 | 75.6 Ų | 75.6 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 179.8 | -176.7 | 164 | -151.5 | 0 | 0 | 111.7 | C1522 L1523 I1524 E1529 L1530 | C1522-E1526 VanDerWaalsContact O-CB 3.23Å; C1522-E1526 WeakPolarHBondContact O-CB 3.42Å; C1522-E1526 PolarHBondContact O-N 3.02Å; L1523-E1526 PolarHBondContact O-N 3.12Å; I1524-E1526 VanDerWaalsContact C-N 3.35Å; I1524-E1526 PolarHBondContact O-N 3.25Å; E1526-E1529 PolarHBondContact O-N 2.89Å; E1526-L1530 HydrophobicContact CG-CD1 4.08Å; E1526-L1530 HydrophobicContact CG-CG 4.48Å; E1526-L1530 VanDerWaalsContact O-CB 3.23Å; E1526-L1530 WeakPolarHBondContact O-CB 3.28Å; E1526-L1530 VanDerWaalsContact O-CG 3.27Å; E1526-L1530 WeakPolarHBondContact O-CG 3.3Å; E1526-L1530 PolarHBondContact O-N 3.07Å |
| 1527 | Q | 43.4 | Very low | 43.2 | Very low | 68 Ų | 68 | 81 Ų | 81 | 32% | 0.318 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 171.7 | -72.5 | -65 | -16.2 | 0 | 0 | 112 | F1452 L1523 I1524 L1530 F1531 | F1452-Q1527 HydrophobicContact CE1-CG 3.88Å; L1523-Q1527 WeakPolarHBondContact O-CB 3.47Å; L1523-Q1527 WeakPolarHBondContact O-CG 3.39Å; L1523-Q1527 PolarHBondContact O-N 2.85Å; I1524-Q1527 PolarHBondContact O-N 3.15Å; Q1527-L1530 PolarHBondContact O-N 3.47Å; Q1527-F1531 VanDerWaalsContact O-CB 3.29Å; Q1527-F1531 WeakPolarHBondContact O-CB 3.39Å; Q1527-F1531 PolarHBondContact O-N 3.12Å |
| 1528 | I | 47.2 | Very low | 42.8 | Very low | 82 Ų | 82 | 84.7 Ų | 84.7 | 42% | 0.421 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67 | -37.7 | 174.3 | -68.3 | 167.4 | 0 | 0 | 0 | 111.2 | I1524 K1525 T1532 | I1524-I1528 HydrophobicContact CG2-CD1 3.86Å; I1524-I1528 WeakPolarHBondContact O-CB 3.22Å; I1524-I1528 VanDerWaalsContact O-CG1 3.29Å; I1524-I1528 WeakPolarHBondContact O-CG1 3.29Å; I1524-I1528 PolarHBondContact O-N 3.33Å; K1525-I1528 PolarHBondContact O-N 3.09Å; I1528-T1532 VanDerWaalsContact O-CB 3.31Å; I1528-T1532 WeakPolarHBondContact O-CB 3.35Å; I1528-T1532 PolarHBondContact O-N 2.92Å; I1528-T1532 PolarHBondContact O-OG1 3.45Å |
| 1529 | E | 44.6 | Very low | 42.6 | Very low | 86 Ų | 86 | 82.1 Ų | 82.1 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.5 | -36.9 | 174.6 | -76.6 | 174.9 | 163.2 | 0 | 0 | 112 | K1525 E1526 T1532 V1533 | K1525-E1529 VanDerWaalsContact CE-OE1 3.3Å; K1525-E1529 WeakPolarHBondContact CE-OE1 3.49Å; K1525-E1529 IonicContact NZ-OE1 3.12Å; K1525-E1529 PolarHBondContact NZ-OE1 3.3Å; K1525-E1529 IonicContact NZ-OE2 2.93Å; K1525-E1529 PolarHBondContact NZ-OE2 3.07Å; K1525-E1529 WeakPolarHBondContact O-CB 3.38Å; K1525-E1529 WeakPolarHBondContact O-CG 3.33Å; K1525-E1529 PolarHBondContact O-N 2.99Å; E1526-E1529 PolarHBondContact O-N 2.89Å; E1529-T1532 PolarHBondContact O-N 3.46Å; E1529-V1533 VanDerWaalsContact O-CB 3.29Å; E1529-V1533 WeakPolarHBondContact O-CB 3.33Å; E1529-V1533 WeakPolarHBondContact O-CG2 3.13Å; E1529-V1533 PolarHBondContact O-N 2.91Å |
| 1530 | L | 45.7 | Very low | 42.2 | Very low | 77 Ų | 77 | 87.1 Ų | 87.1 | 40% | 0.403 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 171.9 | -82.8 | 165.4 | 0 | 0 | 0 | 111.2 | E1526 Q1527 T1532 V1533 L1534 | E1526-L1530 HydrophobicContact CG-CD1 4.08Å; E1526-L1530 HydrophobicContact CG-CG 4.48Å; E1526-L1530 VanDerWaalsContact O-CB 3.23Å; E1526-L1530 WeakPolarHBondContact O-CB 3.28Å; E1526-L1530 VanDerWaalsContact O-CG 3.27Å; E1526-L1530 WeakPolarHBondContact O-CG 3.3Å; E1526-L1530 PolarHBondContact O-N 3.07Å; Q1527-L1530 PolarHBondContact O-N 3.47Å; L1530-T1532 VanDerWaalsContact C-N 3.33Å; L1530-T1532 PolarHBondContact O-N 3.41Å; L1530-V1533 CarbonylContact O-C 3.6Å; L1530-V1533 PolarHBondContact O-N 2.96Å; L1530-L1534 WeakPolarHBondContact O-CB 3.31Å; L1530-L1534 VanDerWaalsContact O-CG 3.28Å; L1530-L1534 WeakPolarHBondContact O-CG 3.42Å; L1530-L1534 PolarHBondContact O-N 2.89Å |
| 1531 | F | 43.8 | Very low | 41.6 | Very low | 96 Ų | 96 | 95.4 Ų | 95.4 | 42% | 0.421 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -55.3 | -49 | 172 | 177 | -96.6 | 0 | 0 | 0 | 110.7 | Q1527 V1533 L1534 Y1535 | Q1527-F1531 VanDerWaalsContact O-CB 3.29Å; Q1527-F1531 WeakPolarHBondContact O-CB 3.39Å; Q1527-F1531 PolarHBondContact O-N 3.12Å; F1531-V1533 VanDerWaalsContact C-N 3.33Å; F1531-V1533 PolarHBondContact O-N 3.21Å; F1531-L1534 PolarHBondContact O-N 3.37Å; F1531-Y1535 WeakPolarHBondContact O-CB 3.19Å; F1531-Y1535 PolarHBondContact O-N 3.32Å |
| 1532 | T | 44.5 | Very low | 40.9 | Very low | 70 Ų | 70 | 97.9 Ų | 97.9 | 43% | 0.429 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | I1528 E1529 L1530 T1536 | I1528-T1532 VanDerWaalsContact O-CB 3.31Å; I1528-T1532 WeakPolarHBondContact O-CB 3.35Å; I1528-T1532 PolarHBondContact O-N 2.92Å; I1528-T1532 PolarHBondContact O-OG1 3.45Å; E1529-T1532 PolarHBondContact O-N 3.46Å; L1530-T1532 VanDerWaalsContact C-N 3.33Å; L1530-T1532 PolarHBondContact O-N 3.41Å; T1532-T1536 WeakPolarHBondContact O-CB 3.35Å; T1532-T1536 VanDerWaalsContact O-CG2 3.28Å; T1532-T1536 WeakPolarHBondContact O-CG2 3.46Å; T1532-T1536 PolarHBondContact O-N 2.65Å; T1532-T1536 PolarHBondContact O-OG1 3.01Å |
| 1533 | V | 45.1 | Very low | 40.3 | Very low | 73 Ų | 73 | 99.3 Ų | 99.3 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.3 | -41.2 | 178.2 | 164.8 | 0 | 0 | 0 | 0 | 111.7 | E1529 L1530 F1531 R1537 | E1529-V1533 VanDerWaalsContact O-CB 3.29Å; E1529-V1533 WeakPolarHBondContact O-CB 3.33Å; E1529-V1533 WeakPolarHBondContact O-CG2 3.13Å; E1529-V1533 PolarHBondContact O-N 2.91Å; L1530-V1533 CarbonylContact O-C 3.6Å; L1530-V1533 PolarHBondContact O-N 2.96Å; F1531-V1533 VanDerWaalsContact C-N 3.33Å; F1531-V1533 PolarHBondContact O-N 3.21Å; V1533-R1537 WeakPolarHBondContact O-CB 3.32Å; V1533-R1537 PolarHBondContact O-N 2.9Å |
| 1534 | L | 37.1 | Very low | 39.6 | Very low | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -50.7 | 175.3 | -72.1 | 168.3 | 0 | 0 | 0 | 110.2 | L1530 F1531 T1536 R1537 Q1538 | L1530-L1534 WeakPolarHBondContact O-CB 3.31Å; L1530-L1534 VanDerWaalsContact O-CG 3.28Å; L1530-L1534 WeakPolarHBondContact O-CG 3.42Å; L1530-L1534 PolarHBondContact O-N 2.89Å; F1531-L1534 PolarHBondContact O-N 3.37Å; L1534-T1536 PolarHBondContact O-N 2.97Å; L1534-R1537 PolarHBondContact O-N 3.2Å; L1534-R1537 VanDerWaalsContact O-N 3.07Å; L1534-Q1538 PolarHBondContact O-N 2.92Å |
| 1535 | Y | 39 | Very low | 38.9 | Very low | 98 Ų | 98 | 105.4 Ų | 105.4 | 38% | 0.384 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -53.9 | -52.9 | 174.6 | -168.8 | -96.4 | 0 | 0 | 0 | 111.2 | F1531 R1537 V1539 F1553 | F1531-Y1535 WeakPolarHBondContact O-CB 3.19Å; F1531-Y1535 PolarHBondContact O-N 3.32Å; Y1535-R1537 PolarHBondContact O-N 2.79Å; Y1535-V1539 HydrophobicContact CD1-CG2 4.5Å; Y1535-V1539 HydrophobicContact CE1-CG2 4.44Å; Y1535-V1539 VanDerWaalsContact O-CB 3.24Å; Y1535-V1539 WeakPolarHBondContact O-CB 3.24Å; Y1535-V1539 WeakPolarHBondContact O-CG2 3.44Å; Y1535-V1539 PolarHBondContact O-N 3.03Å; Y1535-F1553 WeakPolarHBondContact OH-CD2 3.22Å |
| 1536 | T | 40.3 | Very low | 38.3 | Very low | 60 Ų | 60 | 108 Ų | 108 | 37% | 0.368 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -75.1 | -3.5 | 179.5 | 60.3 | 0 | 0 | 0 | 0 | 115.4 | T1532 L1534 R1540 | T1532-T1536 WeakPolarHBondContact O-CB 3.35Å; T1532-T1536 VanDerWaalsContact O-CG2 3.28Å; T1532-T1536 WeakPolarHBondContact O-CG2 3.46Å; T1532-T1536 PolarHBondContact O-N 2.65Å; T1532-T1536 PolarHBondContact O-OG1 3.01Å; L1534-T1536 PolarHBondContact O-N 2.97Å; T1536-R1540 WeakPolarHBondContact O-CG 3.46Å |
| 1537 | R | 35.3 | Very low | 37.6 | Very low | 181 Ų | 181 | 107.2 Ų | 107.2 | 68% | 0.683 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -102.8 | -35.6 | 175.7 | -170.4 | 172.3 | -173.4 | 170.1 | -0.8 | 112.2 | V1533 L1534 Y1535 R1540 | V1533-R1537 WeakPolarHBondContact O-CB 3.32Å; V1533-R1537 PolarHBondContact O-N 2.9Å; L1534-R1537 PolarHBondContact O-N 3.2Å; L1534-R1537 VanDerWaalsContact O-N 3.07Å; Y1535-R1537 PolarHBondContact O-N 2.79Å; R1537-R1540 PolarHBondContact O-N 3.43Å |
| 1538 | Q | 33.8 | Very low | 36.9 | Very low | 115 Ų | 115 | 108.5 Ų | 108.5 | 54% | 0.537 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.6 | -47.7 | 168.8 | -75 | 175.1 | -39.5 | 0 | 0 | 111 | L1534 R1540 Y1541 | L1534-Q1538 PolarHBondContact O-N 2.92Å; Q1538-R1540 PolarHBondContact O-N 3.44Å; Q1538-Y1541 PolarHBondContact O-N 3.39Å; Q1538-Y1541 VanDerWaalsContact O-N 3.12Å |
| 1539 | V | 37.5 | Very low | 36.4 | Very low | 102 Ų | 102 | 110.8 Ų | 110.8 | 62% | 0.618 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -3.9 | 175.8 | 174 | 0 | 0 | 0 | 0 | 113.4 | Y1535 | Y1535-V1539 HydrophobicContact CD1-CG2 4.5Å; Y1535-V1539 HydrophobicContact CE1-CG2 4.44Å; Y1535-V1539 VanDerWaalsContact O-CB 3.24Å; Y1535-V1539 WeakPolarHBondContact O-CB 3.24Å; Y1535-V1539 WeakPolarHBondContact O-CG2 3.44Å; Y1535-V1539 PolarHBondContact O-N 3.03Å |
| 1540 | R | 34.1 | Very low | 36 | Very low | 182 Ų | 182 | 109.5 Ų | 109.5 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -9.9 | 176.6 | -90.3 | -171.7 | -173.1 | 142.9 | 15.1 | 116.3 | T1536 R1537 Q1538 | T1536-R1540 WeakPolarHBondContact O-CG 3.46Å; R1537-R1540 PolarHBondContact O-N 3.43Å; Q1538-R1540 PolarHBondContact O-N 3.44Å |
| 1541 | Y | 32 | Very low | 35.6 | Very low | 207 Ų | 207 | 108.2 Ų | 108.2 | 81% | 0.812 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -20 | -167.8 | -118.3 | -85.7 | 0 | 0 | 0 | 116 | Q1538 | Q1538-Y1541 PolarHBondContact O-N 3.39Å; Q1538-Y1541 VanDerWaalsContact O-N 3.12Å |
| 1542 | I | 29.9 | Very low | 35.5 | Very low | 126 Ų | 126 | 106.4 Ų | 106.4 | 65% | 0.646 | 57% | 0.569 | S | S | * | * | trans | -135.9 | 121.3 | 170.3 | -57.7 | 179.9 | 0 | 0 | 0 | 107.4 | ||||
| 1543 | G | 28.7 | Very low | 35.2 | Very low | 72 Ų | 72 | 109 Ų | 109 | 74% | 0.742 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -87.6 | 146.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1544 | S | 28.5 | Very low | 35.2 | Very low | 107 Ų | 107 | 109.5 Ų | 109.5 | 75% | 0.748 | 57% | 0.574 | S | S | * | * | trans | 69.7 | 89.4 | -168.8 | -170.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1545 | L | 31.4 | Very low | 35.7 | Very low | 110 Ų | 110 | 106.5 Ų | 106.5 | 58% | 0.576 | 56% | 0.56 | S | S | * | * | trans | -156.4 | 97.8 | 159.7 | -141.5 | 78.5 | 0 | 0 | 0 | 109.7 | T1547 L1548 | L1545-T1547 WeakPolarHBondContact CD2-O 3.37Å; L1545-T1547 PolarHBondContact O-N 3.04Å; L1545-L1548 HydrophobicContact CD2-CD1 3.96Å | ||
| 1546 | D | 33.8 | Very low | 35.9 | Very low | 150 Ų | 150 | 105.7 Ų | 105.7 | 80% | 0.802 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -75.7 | 1.2 | 175.5 | -66.4 | -62 | 0 | 0 | 0 | 113.1 | ||
| 1547 | T | 33.1 | Very low | 36.1 | Very low | 90 Ų | 90 | 105.9 Ų | 105.9 | 55% | 0.552 | 56% | 0.558 | S | S | * | * | trans | -139.5 | 95.9 | -173.7 | 45.1 | 0 | 0 | 0 | 0 | 112.2 | L1545 | L1545-T1547 WeakPolarHBondContact CD2-O 3.37Å; L1545-T1547 PolarHBondContact O-N 3.04Å | ||
| 1548 | L | 29.4 | Very low | 36.7 | Very low | 95 Ų | 95 | 103.2 Ų | 103.2 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | B | Isolated β-bridge | trans | -96.8 | 114.5 | 152.5 | -112.2 | 95.3 | 0 | 0 | 0 | 107.8 | L1545 G1550 Y1551 | L1545-L1548 HydrophobicContact CD2-CD1 3.96Å; L1548-G1550 PolarHBondContact O-N 3.46Å; L1548-Y1551 PolarHBondContact O-N 2.88Å |
| 1549 | N | 36.4 | Very low | 37.1 | Very low | 130 Ų | 130 | 99.2 Ų | 99.2 | 70% | 0.695 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 28.4 | -174.8 | -68.7 | 19.2 | 0 | 0 | 0 | 115.4 | Y1551 | N1549-Y1551 HydrophobicContact CB-CD2 4.39Å; N1549-Y1551 WeakPolarHBondContact O-CD2 3.47Å; N1549-Y1551 VanDerWaalsContact O-CE2 3.3Å; N1549-Y1551 WeakPolarHBondContact O-CE2 3.32Å |
| 1550 | G | 36.4 | Very low | 37.2 | Very low | 58 Ų | 58 | 96.8 Ų | 96.8 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 10.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | L1548 | L1548-G1550 PolarHBondContact O-N 3.46Š|
| 1551 | Y | 37.1 | Very low | 37.5 | Very low | 51 Ų | 51 | 94 Ų | 94 | 20% | 0.2 | 52% | 0.515 | C | S | . | . | B | Isolated β-bridge | trans | -101.5 | 128.5 | 179.8 | -65.9 | -94.6 | 0 | 0 | 0 | 112.2 | P383 I384 L1548 N1549 V1555 | P383-Y1551 HydrophobicContact CB-CE1 3.91Å; P383-Y1551 HydrophobicContact CG-CE1 4.46Å; I384-Y1551 WeakPolarHBondContact CG1-OH 3.43Å; L1548-Y1551 PolarHBondContact O-N 2.88Å; N1549-Y1551 HydrophobicContact CB-CD2 4.39Å; N1549-Y1551 WeakPolarHBondContact O-CD2 3.47Å; N1549-Y1551 VanDerWaalsContact O-CE2 3.3Å; N1549-Y1551 WeakPolarHBondContact O-CE2 3.32Å; Y1551-V1555 HydrophobicContact CD1-CG1 3.88Å |
| 1552 | S | 41.5 | Very low | 38.1 | Very low | 58 Ų | 58 | 90.8 Ų | 90.8 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | trans | -83.8 | 161.7 | 170.6 | 84.7 | 0 | 0 | 0 | 0 | 111.8 | D1554 V1555 L1556 | S1552-D1554 VanDerWaalsContact C-N 3.28Å; S1552-D1554 PolarHBondContact O-N 3.41Å; S1552-V1555 PolarHBondContact O-N 2.85Å; S1552-V1555 VanDerWaalsContact O-N 3.16Å; S1552-L1556 PolarHBondContact O-N 3.21Å | ||
| 1553 | F | 39.8 | Very low | 38.5 | Very low | 125 Ų | 125 | 87.3 Ų | 87.3 | 55% | 0.548 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.4 | -38.6 | 178.4 | 179.4 | -107.9 | 0 | 0 | 0 | 113 | Y1535 L1556 K1557 | Y1535-F1553 WeakPolarHBondContact OH-CD2 3.22Å; F1553-L1556 PolarHBondContact O-N 3.33Å; F1553-K1557 HydrophobicContact CE1-CD 4.23Å; F1553-K1557 VanDerWaalsContact O-CB 3.3Å; F1553-K1557 WeakPolarHBondContact O-CB 3.44Å; F1553-K1557 PolarHBondContact O-N 3.4Å; F1553-K1557 VanDerWaalsContact O-N 3.08Å |
| 1554 | D | 43.4 | Very low | 38.9 | Very low | 82 Ų | 82 | 88.2 Ų | 88.2 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.7 | -28.4 | 179.3 | -75.7 | -68.7 | 0 | 0 | 0 | 113.2 | S1552 K1557 Q1558 | S1552-D1554 VanDerWaalsContact C-N 3.28Å; S1552-D1554 PolarHBondContact O-N 3.41Å; D1554-K1557 PolarHBondContact O-N 3.48Å; D1554-K1557 WeakPolarHBondContact OD1-CD 3.42Å; D1554-K1557 WeakPolarHBondContact OD1-CE 3.46Å; D1554-K1557 IonicContact OD1-NZ 2.66Å; D1554-K1557 PolarHBondContact OD1-NZ 2.84Å; D1554-Q1558 WeakPolarHBondContact O-CB 3.31Å; D1554-Q1558 WeakPolarHBondContact O-CG 3.43Å; D1554-Q1558 PolarHBondContact O-N 3.18Å |
| 1555 | V | 47.8 | Very low | 39.4 | Very low | 38 Ų | 38 | 90.3 Ų | 90.3 | 23% | 0.23 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.2 | -50.2 | 172.2 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | Y1551 S1552 K1557 Q1558 E1559 | Y1551-V1555 HydrophobicContact CD1-CG1 3.88Å; S1552-V1555 PolarHBondContact O-N 2.85Å; S1552-V1555 VanDerWaalsContact O-N 3.16Å; V1555-K1557 PolarHBondContact O-N 2.67Å; V1555-Q1558 PolarHBondContact O-N 2.99Å; V1555-Q1558 VanDerWaalsContact O-N 3.16Å; V1555-E1559 VanDerWaalsContact O-CB 3.27Å; V1555-E1559 WeakPolarHBondContact O-CB 3.41Å; V1555-E1559 PolarHBondContact O-N 3.38Å |
| 1556 | L | 42.9 | Very low | 39.5 | Very low | 81 Ų | 81 | 87.6 Ų | 87.6 | 42% | 0.424 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59 | -32.2 | 175.6 | -90.2 | 164.3 | 0 | 0 | 0 | 112.9 | S1552 F1553 A1560 | S1552-L1556 PolarHBondContact O-N 3.21Å; F1553-L1556 PolarHBondContact O-N 3.33Å; L1556-A1560 VanDerWaalsContact O-CB 3.29Å; L1556-A1560 WeakPolarHBondContact O-CB 3.38Å; L1556-A1560 PolarHBondContact O-N 2.88Å |
| 1557 | K | 44.8 | Very low | 39.6 | Very low | 64 Ų | 64 | 90.2 Ų | 90.2 | 28% | 0.278 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -76.6 | -33.7 | 177 | 170.2 | -178.7 | 151.9 | -155.2 | 0 | 113.2 | F1553 D1554 V1555 R1561 | F1553-K1557 HydrophobicContact CE1-CD 4.23Å; F1553-K1557 VanDerWaalsContact O-CB 3.3Å; F1553-K1557 WeakPolarHBondContact O-CB 3.44Å; F1553-K1557 PolarHBondContact O-N 3.4Å; F1553-K1557 VanDerWaalsContact O-N 3.08Å; D1554-K1557 PolarHBondContact O-N 3.48Å; D1554-K1557 WeakPolarHBondContact OD1-CD 3.42Å; D1554-K1557 WeakPolarHBondContact OD1-CE 3.46Å; D1554-K1557 IonicContact OD1-NZ 2.66Å; D1554-K1557 PolarHBondContact OD1-NZ 2.84Å; V1555-K1557 PolarHBondContact O-N 2.67Å; K1557-R1561 WeakPolarHBondContact O-CB 3.3Å; K1557-R1561 WeakPolarHBondContact O-CD 3.4Å; K1557-R1561 VanDerWaalsContact O-CG 3.22Å; K1557-R1561 WeakPolarHBondContact O-CG 3.45Å; K1557-R1561 PolarHBondContact O-N 3.11Å |
| 1558 | Q | 48.4 | Very low | 39.5 | Very low | 125 Ų | 125 | 91.7 Ų | 91.7 | 58% | 0.584 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.8 | -43.5 | 168.9 | -78.4 | 177.7 | -28.5 | 0 | 0 | 111 | D1554 V1555 R1561 R1562 | D1554-Q1558 WeakPolarHBondContact O-CB 3.31Å; D1554-Q1558 WeakPolarHBondContact O-CG 3.43Å; D1554-Q1558 PolarHBondContact O-N 3.18Å; V1555-Q1558 PolarHBondContact O-N 2.99Å; V1555-Q1558 VanDerWaalsContact O-N 3.16Å; Q1558-R1561 WeakPolarHBondContact O-CA 3.25Å; Q1558-R1561 WeakPolarHBondContact O-CB 3.27Å; Q1558-R1561 PolarHBondContact O-N 2.91Å; Q1558-R1561 VanDerWaalsContact O-N 3.07Å; Q1558-R1562 PolarHBondContact O-N 2.78Å |
| 1559 | E | 42.7 | Very low | 39.7 | Very low | 31 Ų | 31 | 88.7 Ų | 88.7 | 15% | 0.145 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 179.9 | -164 | 67.3 | -175.6 | 0 | 0 | 111.2 | V1555 R1561 R1562 Y1563 | V1555-E1559 VanDerWaalsContact O-CB 3.27Å; V1555-E1559 WeakPolarHBondContact O-CB 3.41Å; V1555-E1559 PolarHBondContact O-N 3.38Å; E1559-R1561 PolarHBondContact O-N 2.98Å; E1559-R1562 PolarHBondContact O-N 3.39Å; E1559-Y1563 HydrophobicContact CG-CD2 4.11Å; E1559-Y1563 HydrophobicContact CG-CE2 3.57Å; E1559-Y1563 VanDerWaalsContact O-CD2 3.24Å; E1559-Y1563 WeakPolarHBondContact O-CD2 3.23Å; E1559-Y1563 PolarHBondContact O-N 3.25Å; E1559-Y1563 VanDerWaalsContact O-N 3.11Å; E1559-Y1563 WeakPolarHBondContact OE1-CE2 3.48Å; E1559-Y1563 VanDerWaalsContact OE1-CZ 3.31Å; E1559-Y1563 PolarHBondContact OE1-OH 3.27Å |
| 1560 | A | 39.2 | Very low | 39.2 | Very low | 51 Ų | 51 | 85.6 Ų | 85.6 | 42% | 0.421 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.9 | -23.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1556 L1564 | L1556-A1560 VanDerWaalsContact O-CB 3.29Å; L1556-A1560 WeakPolarHBondContact O-CB 3.38Å; L1556-A1560 PolarHBondContact O-N 2.88Å; A1560-L1564 WeakPolarHBondContact O-CB 3.28Å; A1560-L1564 WeakPolarHBondContact O-CD1 3.4Å; A1560-L1564 WeakPolarHBondContact O-CG 3.39Å |
| 1561 | R | 41.2 | Very low | 39.1 | Very low | 124 Ų | 124 | 85.4 Ų | 85.4 | 47% | 0.468 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -76 | -39.5 | 172.7 | -81.2 | 169.8 | 162.5 | -164.6 | -12.9 | 111.7 | K1557 Q1558 E1559 I1569 | K1557-R1561 WeakPolarHBondContact O-CB 3.3Å; K1557-R1561 WeakPolarHBondContact O-CD 3.4Å; K1557-R1561 VanDerWaalsContact O-CG 3.22Å; K1557-R1561 WeakPolarHBondContact O-CG 3.45Å; K1557-R1561 PolarHBondContact O-N 3.11Å; Q1558-R1561 WeakPolarHBondContact O-CA 3.25Å; Q1558-R1561 WeakPolarHBondContact O-CB 3.27Å; Q1558-R1561 PolarHBondContact O-N 2.91Å; Q1558-R1561 VanDerWaalsContact O-N 3.07Å; E1559-R1561 PolarHBondContact O-N 2.98Å; R1561-I1569 PolarHBondContact NH2-O 2.82Å |
| 1562 | R | 43.2 | Very low | 39 | Very low | 139 Ų | 139 | 86.1 Ų | 86.1 | 53% | 0.525 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.8 | -49.2 | 174.1 | -73.7 | 179.4 | 167.2 | -156.5 | -11 | 111.4 | N390 Q1558 E1559 L1564 | N390-R1562 PolarHBondContact ND2-NH1 3.29Å; N390-R1562 PolarHBondContact OD1-NH1 2.84Å; N390-R1562 PolarHBondContact OD1-NH2 2.95Å; Q1558-R1562 PolarHBondContact O-N 2.78Å; E1559-R1562 PolarHBondContact O-N 3.39Å; R1562-L1564 VanDerWaalsContact C-N 3.33Å; R1562-L1564 PolarHBondContact O-N 2.88Å |
| 1563 | Y | 39 | Very low | 38.5 | Very low | 53 Ų | 53 | 91.4 Ų | 91.4 | 21% | 0.208 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -8.3 | -176.2 | -66.6 | -55.3 | 0 | 0 | 0 | 116.5 | W382 I386 L1461 Y1462 E1559 | W382-Y1563 PolarHBondContact NE1-OH 3.13Å; W382-Y1563 VanDerWaalsContact NE1-OH 3.16Å; I386-Y1563 VanDerWaalsContact CD1-OH 3.3Å; I386-Y1563 WeakPolarHBondContact CD1-OH 3.28Å; L1461-Y1563 HydrophobicContact CD1-CD2 4.32Å; Y1462-Y1563 HydrophobicContact CE1-CE1 4.43Å; Y1462-Y1563 HydrophobicContact CE2-CE1 4.34Å; Y1462-Y1563 AromaticContact CZ-CE1 3.85Å; Y1462-Y1563 WeakPolarHBondContact OH-CE1 3.35Å; E1559-Y1563 HydrophobicContact CG-CD2 4.11Å; E1559-Y1563 HydrophobicContact CG-CE2 3.57Å; E1559-Y1563 VanDerWaalsContact O-CD2 3.24Å; E1559-Y1563 WeakPolarHBondContact O-CD2 3.23Å; E1559-Y1563 PolarHBondContact O-N 3.25Å; E1559-Y1563 VanDerWaalsContact O-N 3.11Å; E1559-Y1563 WeakPolarHBondContact OE1-CE2 3.48Å; E1559-Y1563 VanDerWaalsContact OE1-CZ 3.31Å; E1559-Y1563 PolarHBondContact OE1-OH 3.27Å |
| 1564 | L | 36.7 | Very low | 38 | Very low | 91 Ų | 91 | 90.8 Ų | 90.8 | 48% | 0.476 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -5.5 | -174 | -76.9 | 173.5 | 0 | 0 | 0 | 115.3 | A1560 R1562 C1566 | A1560-L1564 WeakPolarHBondContact O-CB 3.28Å; A1560-L1564 WeakPolarHBondContact O-CD1 3.4Å; A1560-L1564 WeakPolarHBondContact O-CG 3.39Å; R1562-L1564 VanDerWaalsContact C-N 3.33Å; R1562-L1564 PolarHBondContact O-N 2.88Å; L1564-C1566 PolarHBondContact O-N 3.21Å; L1564-C1566 PolarHBondContact O-SG 3.23Å |
| 1565 | N | 38.7 | Very low | 37.2 | Very low | 151 Ų | 151 | 91.4 Ų | 91.4 | 81% | 0.807 | 47% | 0.47 | S | S | * | . | trans | 45.7 | 39.7 | 173.1 | -119 | -8.8 | 0 | 0 | 0 | 114.4 | ||||
| 1566 | C | 33.9 | Very low | 36.3 | Very low | 53 Ų | 53 | 96 Ų | 96 | 36% | 0.358 | 49% | 0.492 | S | S | . | . | trans | -130.9 | 96.3 | -174.1 | -76.6 | 0 | 0 | 0 | 0 | 111.5 | L1564 T1568 I1569 | L1564-C1566 PolarHBondContact O-N 3.21Å; L1564-C1566 PolarHBondContact O-SG 3.23Å; C1566-T1568 PolarHBondContact O-N 2.87Å; C1566-T1568 VanDerWaalsContact O-N 3.09Å; C1566-I1569 HydrophobicContact CB-CD1 3.87Å; C1566-I1569 HydrophobicContact CB-CG1 3.94Å | ||
| 1567 | E | 35.1 | Very low | 35.5 | Very low | 205 Ų | 205 | 95.5 Ų | 95.5 | 96% | 0.958 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23 | 176.1 | -60.7 | 174.7 | 125.3 | 0 | 0 | 113.5 | I1569 | E1567-I1569 PolarHBondContact O-N 3.47Š|
| 1568 | T | 32.4 | Very low | 34.5 | Very low | 121 Ų | 121 | 101.1 Ų | 101.1 | 74% | 0.742 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 1 | -169.2 | 55.9 | 0 | 0 | 0 | 0 | 115.4 | C1566 D1570 | C1566-T1568 PolarHBondContact O-N 2.87Å; C1566-T1568 VanDerWaalsContact O-N 3.09Å; T1568-D1570 PolarHBondContact O-N 3.48Å; T1568-D1570 VanDerWaalsContact O-N 3.1Å |
| 1569 | I | 32.3 | Very low | 33.5 | Very low | 31 Ų | 31 | 101 Ų | 101 | 16% | 0.159 | 53% | 0.528 | C | S | . | . | trans | -87.9 | 82.9 | -175.5 | -48.1 | -175.5 | 0 | 0 | 0 | 111.9 | R1561 C1566 E1567 L1571 F1632 L1636 | R1561-I1569 PolarHBondContact NH2-O 2.82Å; C1566-I1569 HydrophobicContact CB-CD1 3.87Å; C1566-I1569 HydrophobicContact CB-CG1 3.94Å; E1567-I1569 PolarHBondContact O-N 3.47Å; I1569-L1571 VanDerWaalsContact C-N 3.3Å; I1569-L1571 HydrophobicContact CB-CD1 4.44Å; I1569-L1571 HydrophobicContact CG2-CD1 3.66Å; I1569-L1571 HydrophobicContact CG2-CG 3.96Å; I1569-L1571 PolarHBondContact O-N 2.8Å; I1569-F1632 HydrophobicContact CG2-CE1 4.29Å; I1569-F1632 HydrophobicContact CG2-CZ 4.3Å; I1569-L1636 HydrophobicContact CD1-CD1 4.42Å | ||
| 1570 | D | 27.8 | Very low | 32.6 | Very low | 66 Ų | 66 | 105.9 Ų | 105.9 | 35% | 0.353 | 56% | 0.56 | S | S | . | * | trans | -72.6 | 78.2 | 171.7 | -179 | 21.5 | 0 | 0 | 0 | 112.7 | T1568 S1572 K1573 | T1568-D1570 PolarHBondContact O-N 3.48Å; T1568-D1570 VanDerWaalsContact O-N 3.1Å; D1570-S1572 VanDerWaalsContact CG-OG 3.23Å; D1570-S1572 PolarHBondContact O-N 3.36Å; D1570-S1572 WeakPolarHBondContact OD1-CB 3.44Å; D1570-S1572 PolarHBondContact OD1-N 3.08Å; D1570-S1572 PolarHBondContact OD1-OG 2.97Å; D1570-S1572 PolarHBondContact OD2-OG 3.17Å; D1570-K1573 PolarHBondContact O-N 3.12Å; D1570-K1573 IonicContact OD2-NZ 2.58Å; D1570-K1573 PolarHBondContact OD2-NZ 2.96Å | ||
| 1571 | L | 32.5 | Very low | 32 | Very low | 54 Ų | 54 | 108.4 Ų | 108.4 | 28% | 0.283 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -65.1 | -3.6 | 173.2 | -82.5 | 129.7 | 0 | 0 | 0 | 114.3 | I1569 K1573 L1574 | I1569-L1571 VanDerWaalsContact C-N 3.3Å; I1569-L1571 HydrophobicContact CB-CD1 4.44Å; I1569-L1571 HydrophobicContact CG2-CD1 3.66Å; I1569-L1571 HydrophobicContact CG2-CG 3.96Å; I1569-L1571 PolarHBondContact O-N 2.8Å; L1571-K1573 PolarHBondContact O-N 3.46Å; L1571-L1574 HydrophobicContact CD2-CD1 3.88Å; L1571-L1574 PolarHBondContact O-N 3.13Å |
| 1572 | S | 34.8 | Very low | 31.1 | Very low | 66 Ų | 66 | 108.5 Ų | 108.5 | 46% | 0.462 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -60.5 | -28.7 | 171.8 | 73 | 0 | 0 | 0 | 0 | 111.7 | D1570 L1574 S1575 | D1570-S1572 VanDerWaalsContact CG-OG 3.23Å; D1570-S1572 PolarHBondContact O-N 3.36Å; D1570-S1572 WeakPolarHBondContact OD1-CB 3.44Å; D1570-S1572 PolarHBondContact OD1-N 3.08Å; D1570-S1572 PolarHBondContact OD1-OG 2.97Å; D1570-S1572 PolarHBondContact OD2-OG 3.17Å; S1572-L1574 PolarHBondContact O-N 3.44Å; S1572-S1575 PolarHBondContact O-N 3.05Å; S1572-S1575 PolarHBondContact O-OG 3.22Å |
| 1573 | K | 32.7 | Very low | 30.3 | Very low | 168 Ų | 168 | 109.8 Ų | 109.8 | 73% | 0.73 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -70.5 | 2.3 | 176.5 | -62.2 | -178.1 | 174.8 | 85.5 | 0 | 114 | D1570 L1571 | D1570-K1573 PolarHBondContact O-N 3.12Å; D1570-K1573 IonicContact OD2-NZ 2.58Å; D1570-K1573 PolarHBondContact OD2-NZ 2.96Å; L1571-K1573 PolarHBondContact O-N 3.46Å |
| 1574 | L | 28.3 | Very low | 29.5 | Very low | 113 Ų | 113 | 111.8 Ų | 111.8 | 59% | 0.592 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -105.8 | -9.2 | 169.1 | -87.6 | 157.2 | 0 | 0 | 0 | 114 | L1571 S1572 I1576 | L1571-L1574 HydrophobicContact CD2-CD1 3.88Å; L1571-L1574 PolarHBondContact O-N 3.13Å; S1572-L1574 PolarHBondContact O-N 3.44Å; L1574-I1576 PolarHBondContact O-N 3.33Å; L1574-I1576 VanDerWaalsContact O-N 3.1Å |
| 1575 | S | 26 | Very low | 28.8 | Very low | 94 Ų | 94 | 115.7 Ų | 115.7 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | trans | -76.3 | 97.7 | 167.7 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | S1572 S1577 | S1572-S1575 PolarHBondContact O-N 3.05Å; S1572-S1575 PolarHBondContact O-OG 3.22Å; S1575-S1577 PolarHBondContact O-N 2.98Å | ||
| 1576 | I | 29.9 | Very low | 28.1 | Very low | 136 Ų | 136 | 112.4 Ų | 112.4 | 70% | 0.697 | 65% | 0.647 | S | S | * | * | trans | -70.2 | 121.9 | 162.2 | -62.3 | 176.8 | 0 | 0 | 0 | 106.7 | L1574 M1578 | L1574-I1576 PolarHBondContact O-N 3.33Å; L1574-I1576 VanDerWaalsContact O-N 3.1Å; I1576-M1578 PolarHBondContact O-N 2.73Å | ||
| 1577 | S | 25.9 | Very low | 27.7 | Very low | 70 Ų | 70 | 116 Ų | 116 | 49% | 0.49 | 67% | 0.667 | S | S | . | * | trans | -58.5 | 130.2 | 177.2 | 39.2 | 0 | 0 | 0 | 0 | 111.2 | S1575 D1579 | S1575-S1577 PolarHBondContact O-N 2.98Å; S1577-D1579 VanDerWaalsContact CB-OD2 3.26Å; S1577-D1579 WeakPolarHBondContact CB-OD2 3.2Å; S1577-D1579 PolarHBondContact O-N 3.32Å; S1577-D1579 PolarHBondContact OG-OD2 2.85Å | ||
| 1578 | M | 24.3 | Very low | 27.1 | Very low | 182 Ų | 182 | 112.7 Ų | 112.7 | 90% | 0.897 | 65% | 0.652 | S | S | * | * | trans | -75 | 71.3 | 155.5 | -81.2 | -170.4 | 165.5 | 0 | 0 | 108.3 | I1576 T1580 | I1576-M1578 PolarHBondContact O-N 2.73Å; M1578-T1580 PolarHBondContact O-N 2.85Å | ||
| 1579 | D | 25.9 | Very low | 26.8 | Very low | 123 Ų | 123 | 113.3 Ų | 113.3 | 66% | 0.658 | 64% | 0.644 | S | S | * | * | trans | -67.2 | 98.9 | 173.4 | -73.3 | -46.6 | 0 | 0 | 0 | 109.1 | S1577 S1581 | S1577-D1579 VanDerWaalsContact CB-OD2 3.26Å; S1577-D1579 WeakPolarHBondContact CB-OD2 3.2Å; S1577-D1579 PolarHBondContact O-N 3.32Å; S1577-D1579 PolarHBondContact OG-OD2 2.85Å; D1579-S1581 PolarHBondContact O-N 3.12Å | ||
| 1580 | T | 24 | Very low | 26.4 | Very low | 132 Ų | 132 | 120.2 Ų | 120.2 | 81% | 0.81 | 67% | 0.673 | S | S | * | * | trans | -76.1 | 49.4 | -177.6 | 41.7 | 0 | 0 | 0 | 0 | 112.1 | M1578 T1582 | M1578-T1580 PolarHBondContact O-N 2.85Å; T1580-T1582 VanDerWaalsContact C-N 3.33Å; T1580-T1582 PolarHBondContact O-N 2.66Å | ||
| 1581 | S | 27.2 | Very low | 26.2 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | -74.4 | 84 | 176.8 | 68 | 0 | 0 | 0 | 0 | 111.7 | D1579 | D1579-S1581 PolarHBondContact O-N 3.12Š| ||
| 1582 | T | 23.5 | Very low | 26 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | trans | -4.1 | 127.5 | 149.6 | 51.8 | 0 | 0 | 0 | 0 | 117.2 | T1580 | T1580-T1582 VanDerWaalsContact C-N 3.33Å; T1580-T1582 PolarHBondContact O-N 2.66Å | ||
| 1583 | M | 24.6 | Very low | 25.6 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -160.3 | 116.1 | 141.8 | -110.4 | -69.9 | 99.3 | 0 | 0 | 113.6 | ||||
| 1584 | S | 22.9 | Very low | 25.2 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | trans | 54.7 | 120.3 | 154.4 | 54.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1585 | L | 21.3 | Very low | 25 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 90% | 0.901 | 74% | 0.741 | S | S | * | * | trans | -49 | 148.3 | 158.1 | -68.8 | 64.6 | 0 | 0 | 0 | 112.4 | ||||
| 1586 | G | 25.8 | Very low | 24.9 | Very low | 82 Ų | 82 | 137.6 Ų | 137.6 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | trans | -140.5 | 34.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1588 | G1586-E1588 PolarHBondContact O-N 2.65Š| ||
| 1587 | V | 24.8 | Very low | 24.7 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | trans | -69 | 124.2 | 172.5 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1588 | E | 23.2 | Very low | 24.5 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | 175.1 | 146.6 | 125.5 | -98.2 | -165.2 | 144.4 | 0 | 0 | 117.8 | G1586 | G1586-E1588 PolarHBondContact O-N 2.65Š| |||
| 1589 | K | 24.6 | Very low | 24.5 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | trans | 67.4 | 112.6 | 140.2 | -72.6 | 169.3 | -180 | 145 | 0 | 122.3 | ||||
| 1590 | K | 24.8 | Very low | 24.5 | Very low | 177 Ų | 177 | 135.4 Ų | 135.4 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | 80 | 126.8 | 131.6 | -60.9 | 165.5 | -173.9 | 173.5 | 0 | 116.9 | ||||
| 1591 | K | 24 | Very low | 24.6 | Very low | 190 Ų | 190 | 136.5 Ų | 136.5 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | cis | 92.5 | 127 | 39.8 | -172.5 | -179.4 | -170.3 | 170.2 | 0 | 112.6 | ||||
| 1592 | K | 26.9 | Very low | 24.5 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | trans | 92.9 | 111.1 | -178 | -58.1 | -178 | -178 | -178.9 | 0 | 113.6 | ||||
| 1593 | N | 25.8 | Very low | 24.5 | Very low | 135 Ų | 135 | 139 Ų | 139 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | 84.4 | 143.5 | 88.5 | -61.5 | -7.8 | 0 | 0 | 0 | 111.2 | |||||
| 1594 | L | 25.2 | Very low | 24.5 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | cis | -112.8 | 149.3 | 25.2 | -91.8 | 72.6 | 0 | 0 | 0 | 113.1 | ||||
| 1595 | K | 24.5 | Very low | 24.6 | Very low | 184 Ų | 184 | 139 Ų | 139 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | 48.8 | 132.7 | 93.5 | -47.4 | -179.2 | 178 | -177.8 | 0 | 113.7 | |||||
| 1596 | S | 24.4 | Very low | 24.7 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | cis | -154.6 | 142.4 | 23.2 | 51.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 1597 | T | 24.3 | Very low | 24.5 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | trans | 56.9 | 106.4 | 140.1 | 57.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1598 | N | 22.7 | Very low | 24.5 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | 69.7 | 139.4 | 117.8 | -57.1 | 1 | 0 | 0 | 0 | 122.4 | |||||
| 1599 | S | 24.8 | Very low | 24.6 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | 65.8 | 144.1 | 147.3 | 50 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1600 | S | 24.3 | Very low | 24.6 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | cis | -169.7 | 142.9 | -18.5 | 48.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1601 | H | 26.2 | Very low | 24.7 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | trans | 54.8 | 124.2 | 154.3 | -79.9 | -58.3 | 0 | 0 | 0 | 122.8 | ||||
| 1602 | K | 25.2 | Very low | 24.8 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | 89.7 | 118.4 | 129.9 | -79.1 | 179.3 | 162.8 | -98.3 | 0 | 121 | |||||
| 1603 | E | 24.2 | Very low | 24.7 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 61% | 0.612 | 72% | 0.721 | S | S | * | * | 47.6 | 115.6 | 122.1 | -59.3 | 171.1 | 141.9 | 0 | 0 | 116.8 | |||||
| 1604 | S | 24.5 | Very low | 24.9 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | cis | -176.9 | 174.6 | 37.8 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1605 | K | 24.9 | Very low | 24.8 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 68% | 0.683 | 73% | 0.727 | S | S | * | * | trans | 37.7 | 113.4 | 156.6 | -65.3 | 178.1 | 178.3 | -178 | 0 | 118.9 | V1358 | V1358-K1605 HydrophobicContact CG2-CG 4.43Š| ||
| 1606 | L | 23.8 | Very low | 25.2 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | -157 | 161.2 | 115.1 | -150.2 | 56.2 | 0 | 0 | 0 | 112.8 | |||||
| 1607 | F | 22.4 | Very low | 25.1 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -81.6 | -175 | 167.4 | -106.8 | -104.5 | 0 | 0 | 0 | 111.6 | ||||
| 1608 | T | 24.3 | Very low | 25.2 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | trans | 97.8 | 127.4 | 154.7 | 74.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1609 | T | 23.8 | Very low | 25.5 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | 31.1 | 146.3 | 135.5 | 62.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1610 | D | 25.3 | Very low | 25.7 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | cis | -155 | -177 | 22.7 | -145.2 | -8.5 | 0 | 0 | 0 | 114.5 | ||||
| 1611 | K | 26.2 | Very low | 26.2 | Very low | 152 Ų | 152 | 140 Ų | 140 | 66% | 0.661 | 73% | 0.733 | S | S | * | * | trans | -20.2 | 152.4 | 160.6 | -60.6 | 153.7 | -161.6 | 88.8 | 0 | 115.3 | ||||
| 1612 | Q | 28 | Very low | 26.4 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 77% | 0.771 | 73% | 0.729 | S | S | * | * | cis | -169.3 | 151.1 | 48.3 | -150.3 | 158.1 | 45.2 | 0 | 0 | 114.3 | ||||
| 1613 | N | 24.3 | Very low | 26.6 | Very low | 139 Ų | 139 | 143 Ų | 143 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | 4.4 | 135.3 | 159.6 | -53.9 | -14.5 | 0 | 0 | 0 | 121.6 | ||||
| 1614 | I | 28.7 | Very low | 26.9 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 87% | 0.867 | 73% | 0.728 | S | S | * | * | -165.7 | 147.1 | 112.6 | -95.6 | 152.4 | 0 | 0 | 0 | 109.8 | |||||
| 1615 | S | 24.8 | Very low | 27.1 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | trans | -121.5 | -178.5 | -177 | -32.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1616 | P | 32 | Very low | 27.2 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | cis | -135.3 | -145.7 | -7.6 | 35.9 | -12.6 | 0 | 0 | 0 | 112.2 | ||||
| 1617 | M | 23.5 | Very low | 27.5 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 85% | 0.847 | 71% | 0.714 | S | S | * | * | trans | 73.2 | 90.7 | 162.5 | -73.4 | 174.2 | 58.4 | 0 | 0 | 120.4 | ||||
| 1618 | M | 25 | Very low | 27.8 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 94% | 0.936 | 71% | 0.709 | S | S | * | * | -178.1 | 100.8 | 123.8 | -102.6 | -169.7 | 177.6 | 0 | 0 | 110.6 | |||||
| 1619 | N | 29.1 | Very low | 28.2 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | trans | -162 | 48.9 | 174 | -137.7 | -37.2 | 0 | 0 | 0 | 114.4 | ||||
| 1620 | S | 29.2 | Very low | 28.5 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | -73.2 | -36.2 | -174.7 | 43.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1621 | N | 34.5 | Very low | 28.9 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 67% | 0.674 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -19.5 | -164.6 | -70.5 | 1.2 | 0 | 0 | 0 | 115.4 | R1623 | N1621-R1623 VanDerWaalsContact C-N 3.33Å; N1621-R1623 PolarHBondContact O-N 3.42Å |
| 1622 | R | 30.4 | Very low | 29.2 | Very low | 168 Ų | 168 | 134 Ų | 134 | 63% | 0.634 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.1 | -24.5 | -178.9 | -77.3 | -172.6 | 172.4 | -172.5 | 0.2 | 114.4 | S1624 | R1622-S1624 PolarHBondContact O-N 3.29Å |
| 1623 | R | 30 | Very low | 29.6 | Very low | 202 Ų | 202 | 129.7 Ų | 129.7 | 76% | 0.762 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.2 | -18.2 | -177 | -104 | 178.2 | 174.2 | 170.6 | -1.7 | 114.8 | N1621 R1627 | N1621-R1623 VanDerWaalsContact C-N 3.33Å; N1621-R1623 PolarHBondContact O-N 3.42Å; R1623-R1627 WeakPolarHBondContact O-CG 3.39Å; R1623-R1627 PolarHBondContact O-N 3.1Å |
| 1624 | S | 30.5 | Very low | 30.2 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -74.3 | -50.1 | 178.7 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | R1622 F1626 R1627 K1628 | R1622-S1624 PolarHBondContact O-N 3.29Å; S1624-F1626 PolarHBondContact O-N 3.48Å; S1624-R1627 PolarHBondContact O-N 2.83Å; S1624-R1627 VanDerWaalsContact O-N 3.12Å; S1624-K1628 PolarHBondContact O-N 3.05Å |
| 1625 | Y | 28 | Very low | 30.6 | Very low | 153 Ų | 153 | 121.7 Ų | 121.7 | 60% | 0.6 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.3 | -45.3 | 176.2 | -68 | -82.1 | 0 | 0 | 0 | 111.9 | R1627 K1628 C1629 | Y1625-R1627 VanDerWaalsContact C-N 3.28Å; Y1625-R1627 PolarHBondContact O-N 3.07Å; Y1625-K1628 PolarHBondContact O-N 3.31Å; Y1625-K1628 VanDerWaalsContact O-N 3.12Å; Y1625-C1629 PolarHBondContact O-N 3.38Å |
| 1626 | F | 28.1 | Very low | 31.3 | Very low | 151 Ų | 151 | 119.4 Ų | 119.4 | 66% | 0.662 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -58.2 | -37.2 | 174.2 | -106.5 | -86.1 | 0 | 0 | 0 | 113.1 | S1624 L1630 | S1624-F1626 PolarHBondContact O-N 3.48Å; F1626-L1630 HydrophobicContact CD1-CD1 4.43Å; F1626-L1630 WeakPolarHBondContact O-CB 3.26Å; F1626-L1630 WeakPolarHBondContact O-CD1 3.44Å; F1626-L1630 PolarHBondContact O-N 3.39Å |
| 1627 | R | 28.8 | Very low | 31.7 | Very low | 192 Ų | 192 | 117.4 Ų | 117.4 | 73% | 0.725 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.5 | -34.1 | 175.2 | -80.3 | -179.2 | 172.6 | -174.4 | -3 | 113.4 | R1623 S1624 Y1625 A1631 | R1623-R1627 WeakPolarHBondContact O-CG 3.39Å; R1623-R1627 PolarHBondContact O-N 3.1Å; S1624-R1627 PolarHBondContact O-N 2.83Å; S1624-R1627 VanDerWaalsContact O-N 3.12Å; Y1625-R1627 VanDerWaalsContact C-N 3.28Å; Y1625-R1627 PolarHBondContact O-N 3.07Å; R1627-A1631 WeakPolarHBondContact O-CB 3.46Å; R1627-A1631 PolarHBondContact O-N 3.34Å |
| 1628 | K | 29.3 | Very low | 32.4 | Very low | 153 Ų | 153 | 113 Ų | 113 | 67% | 0.665 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.7 | -41.5 | 174.2 | -75.3 | -170.9 | 173.2 | -172.3 | 0 | 112 | S1624 Y1625 A1631 F1632 | S1624-K1628 PolarHBondContact O-N 3.05Å; Y1625-K1628 PolarHBondContact O-N 3.31Å; Y1625-K1628 VanDerWaalsContact O-N 3.12Å; K1628-A1631 WeakPolarHBondContact O-CB 3.43Å; K1628-A1631 PolarHBondContact O-N 3.05Å; K1628-A1631 VanDerWaalsContact O-N 3.15Å; K1628-F1632 PolarHBondContact O-N 3.37Å |
| 1629 | C | 31.5 | Very low | 33.2 | Very low | 65 Ų | 65 | 108.1 Ų | 108.1 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 172.4 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | Y1625 A1631 F1632 L1633 | Y1625-C1629 PolarHBondContact O-N 3.38Å; C1629-A1631 VanDerWaalsContact C-N 3.27Å; C1629-A1631 PolarHBondContact O-N 2.82Å; C1629-F1632 PolarHBondContact O-N 2.85Å; C1629-L1633 WeakPolarHBondContact O-CB 3.24Å; C1629-L1633 PolarHBondContact O-N 3.35Å |
| 1630 | L | 31 | Very low | 33.6 | Very low | 106 Ų | 106 | 106.3 Ų | 106.3 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.5 | -33.6 | 169.8 | -109.8 | 76 | 0 | 0 | 0 | 112.5 | F1626 S1634 | F1626-L1630 HydrophobicContact CD1-CD1 4.43Å; F1626-L1630 WeakPolarHBondContact O-CB 3.26Å; F1626-L1630 WeakPolarHBondContact O-CD1 3.44Å; F1626-L1630 PolarHBondContact O-N 3.39Å; L1630-S1634 WeakPolarHBondContact O-CA 3.42Å; L1630-S1634 WeakPolarHBondContact O-CB 3.41Å; L1630-S1634 PolarHBondContact O-N 3Å; L1630-S1634 PolarHBondContact O-OG 2.86Å; L1630-S1634 VanDerWaalsContact O-OG 3.12Å |
| 1631 | A | 33.5 | Very low | 34.1 | Very low | 46 Ų | 46 | 103.8 Ų | 103.8 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.8 | -34.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1627 K1628 C1629 S1634 N1635 | R1627-A1631 WeakPolarHBondContact O-CB 3.46Å; R1627-A1631 PolarHBondContact O-N 3.34Å; K1628-A1631 WeakPolarHBondContact O-CB 3.43Å; K1628-A1631 PolarHBondContact O-N 3.05Å; K1628-A1631 VanDerWaalsContact O-N 3.15Å; C1629-A1631 VanDerWaalsContact C-N 3.27Å; C1629-A1631 PolarHBondContact O-N 2.82Å; A1631-S1634 VanDerWaalsContact CA-OG 3.32Å; A1631-S1634 WeakPolarHBondContact CA-OG 3.44Å; A1631-S1634 PolarHBondContact O-OG 2.84Å; A1631-N1635 VanDerWaalsContact O-CB 3.31Å; A1631-N1635 WeakPolarHBondContact O-CB 3.37Å; A1631-N1635 PolarHBondContact O-N 2.81Å; A1631-N1635 PolarHBondContact O-OD1 3Å |
| 1632 | F | 32.1 | Very low | 34.3 | Very low | 108 Ų | 108 | 100.8 Ų | 100.8 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -73.4 | -46.2 | 176.6 | -150.2 | -90.6 | 0 | 0 | 0 | 111.2 | I1569 K1628 C1629 N1635 L1636 | I1569-F1632 HydrophobicContact CG2-CE1 4.29Å; I1569-F1632 HydrophobicContact CG2-CZ 4.3Å; K1628-F1632 PolarHBondContact O-N 3.37Å; C1629-F1632 PolarHBondContact O-N 2.85Å; F1632-N1635 PolarHBondContact O-N 3.4Å; F1632-L1636 PolarHBondContact O-N 3.41Å |
| 1633 | L | 37.1 | Very low | 34.7 | Very low | 74 Ų | 74 | 102.6 Ų | 102.6 | 39% | 0.387 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 170.7 | -76.6 | 163.6 | 0 | 0 | 0 | 111.4 | C1629 N1635 L1636 I1637 | C1629-L1633 WeakPolarHBondContact O-CB 3.24Å; C1629-L1633 PolarHBondContact O-N 3.35Å; L1633-N1635 VanDerWaalsContact C-N 3.29Å; L1633-N1635 PolarHBondContact O-N 3.4Å; L1633-L1636 PolarHBondContact O-N 3.14Å; L1633-I1637 WeakPolarHBondContact O-CB 3.46Å; L1633-I1637 WeakPolarHBondContact O-CG1 3.44Å; L1633-I1637 PolarHBondContact O-N 3.22Å |
| 1634 | S | 36.1 | Very low | 35.2 | Very low | 46 Ų | 46 | 94.9 Ų | 94.9 | 32% | 0.322 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.9 | -35.1 | 173.6 | 73.2 | 0 | 0 | 0 | 0 | 111.1 | L1630 A1631 I1638 | L1630-S1634 WeakPolarHBondContact O-CA 3.42Å; L1630-S1634 WeakPolarHBondContact O-CB 3.41Å; L1630-S1634 PolarHBondContact O-N 3Å; L1630-S1634 PolarHBondContact O-OG 2.86Å; L1630-S1634 VanDerWaalsContact O-OG 3.12Å; A1631-S1634 VanDerWaalsContact CA-OG 3.32Å; A1631-S1634 WeakPolarHBondContact CA-OG 3.44Å; A1631-S1634 PolarHBondContact O-OG 2.84Å; S1634-I1638 WeakPolarHBondContact O-CA 3.35Å; S1634-I1638 WeakPolarHBondContact O-CB 3.43Å; S1634-I1638 VanDerWaalsContact O-CD1 3.28Å; S1634-I1638 WeakPolarHBondContact O-CD1 3.39Å; S1634-I1638 WeakPolarHBondContact O-CG1 3.34Å; S1634-I1638 PolarHBondContact O-N 3.26Å |
| 1635 | N | 38.1 | Very low | 35.4 | Very low | 94 Ų | 94 | 94.7 Ų | 94.7 | 50% | 0.503 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.6 | -38.7 | 176.6 | -77.2 | 3.1 | 0 | 0 | 0 | 112.4 | A1631 F1632 L1633 I1638 I1639 | A1631-N1635 VanDerWaalsContact O-CB 3.31Å; A1631-N1635 WeakPolarHBondContact O-CB 3.37Å; A1631-N1635 PolarHBondContact O-N 2.81Å; A1631-N1635 PolarHBondContact O-OD1 3Å; F1632-N1635 PolarHBondContact O-N 3.4Å; L1633-N1635 VanDerWaalsContact C-N 3.29Å; L1633-N1635 PolarHBondContact O-N 3.4Å; N1635-I1638 CarbonylContact O-C 3.56Å; N1635-I1638 PolarHBondContact O-N 3.12Å; N1635-I1639 WeakPolarHBondContact O-CB 3.25Å; N1635-I1639 WeakPolarHBondContact O-CD1 3.48Å; N1635-I1639 VanDerWaalsContact O-CG1 3.24Å; N1635-I1639 WeakPolarHBondContact O-CG1 3.49Å; N1635-I1639 PolarHBondContact O-N 3.08Å |
| 1636 | L | 38.8 | Very low | 35.9 | Very low | 57 Ų | 57 | 90.8 Ų | 90.8 | 30% | 0.298 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.8 | -46 | 174.8 | -167.4 | 72.1 | 0 | 0 | 0 | 111.5 | I1569 F1632 L1633 I1638 I1639 I1640 | I1569-L1636 HydrophobicContact CD1-CD1 4.42Å; F1632-L1636 PolarHBondContact O-N 3.41Å; L1633-L1636 PolarHBondContact O-N 3.14Å; L1636-I1638 VanDerWaalsContact C-N 3.28Å; L1636-I1638 PolarHBondContact O-N 3.3Å; L1636-I1639 PolarHBondContact O-N 2.9Å; L1636-I1639 VanDerWaalsContact O-N 3.16Å; L1636-I1640 WeakPolarHBondContact O-CG1 3.23Å; L1636-I1640 PolarHBondContact O-N 3.22Å |
| 1637 | I | 40 | Very low | 36.3 | Very low | 71 Ų | 71 | 87.7 Ų | 87.7 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 173.2 | -68.9 | 168.2 | 0 | 0 | 0 | 110.2 | L1633 I1640 I1641 | L1633-I1637 WeakPolarHBondContact O-CB 3.46Å; L1633-I1637 WeakPolarHBondContact O-CG1 3.44Å; L1633-I1637 PolarHBondContact O-N 3.22Å; I1637-I1640 PolarHBondContact O-N 2.89Å; I1637-I1641 HydrophobicContact CG2-CD1 3.71Å; I1637-I1641 HydrophobicContact CG2-CG1 4.32Å; I1637-I1641 WeakPolarHBondContact O-CB 3.33Å; I1637-I1641 VanDerWaalsContact O-CG1 3.3Å; I1637-I1641 WeakPolarHBondContact O-CG1 3.33Å; I1637-I1641 PolarHBondContact O-N 3.3Å |
| 1638 | I | 38.5 | Very low | 36.6 | Very low | 79 Ų | 79 | 80.8 Ų | 80.8 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 173 | -77.3 | 164.1 | 0 | 0 | 0 | 110.6 | S1634 N1635 L1636 I1640 I1641 T1642 | S1634-I1638 WeakPolarHBondContact O-CA 3.35Å; S1634-I1638 WeakPolarHBondContact O-CB 3.43Å; S1634-I1638 VanDerWaalsContact O-CD1 3.28Å; S1634-I1638 WeakPolarHBondContact O-CD1 3.39Å; S1634-I1638 WeakPolarHBondContact O-CG1 3.34Å; S1634-I1638 PolarHBondContact O-N 3.26Å; N1635-I1638 CarbonylContact O-C 3.56Å; N1635-I1638 PolarHBondContact O-N 3.12Å; L1636-I1638 VanDerWaalsContact C-N 3.28Å; L1636-I1638 PolarHBondContact O-N 3.3Å; I1638-I1640 VanDerWaalsContact C-N 3.31Å; I1638-I1640 PolarHBondContact O-N 3.06Å; I1638-I1641 CarbonylContact O-C 3.6Å; I1638-I1641 VanDerWaalsContact O-C 3.3Å; I1638-I1641 PolarHBondContact O-N 2.78Å; I1638-T1642 HydrophobicContact CG2-CG2 3.71Å; I1638-T1642 WeakPolarHBondContact O-CA 3.24Å; I1638-T1642 VanDerWaalsContact O-CB 3.29Å; I1638-T1642 WeakPolarHBondContact O-CB 3.31Å; I1638-T1642 WeakPolarHBondContact O-CG2 3.39Å; I1638-T1642 PolarHBondContact O-N 3.23Å; I1638-T1642 PolarHBondContact O-OG1 2.84Å |
| 1639 | I | 41.9 | Very low | 37 | Very low | 88 Ų | 88 | 75.9 Ų | 75.9 | 45% | 0.451 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 176.5 | -75.3 | 161.4 | 0 | 0 | 0 | 110.8 | N1635 L1636 T1642 R1643 | N1635-I1639 WeakPolarHBondContact O-CB 3.25Å; N1635-I1639 WeakPolarHBondContact O-CD1 3.48Å; N1635-I1639 VanDerWaalsContact O-CG1 3.24Å; N1635-I1639 WeakPolarHBondContact O-CG1 3.49Å; N1635-I1639 PolarHBondContact O-N 3.08Å; L1636-I1639 PolarHBondContact O-N 2.9Å; L1636-I1639 VanDerWaalsContact O-N 3.16Å; I1639-T1642 WeakPolarHBondContact CA-OG1 3.48Å; I1639-T1642 PolarHBondContact O-N 3.03Å; I1639-T1642 PolarHBondContact O-OG1 3.42Å; I1639-R1643 PolarHBondContact O-N 2.94Å |
| 1640 | I | 39 | Very low | 37.3 | Very low | 82 Ų | 82 | 77.2 Ų | 77.2 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.5 | -48.2 | 173.1 | -63.1 | 166.5 | 0 | 0 | 0 | 109.4 | L1636 I1637 I1638 T1642 R1643 T1644 | L1636-I1640 WeakPolarHBondContact O-CG1 3.23Å; L1636-I1640 PolarHBondContact O-N 3.22Å; I1637-I1640 PolarHBondContact O-N 2.89Å; I1638-I1640 VanDerWaalsContact C-N 3.31Å; I1638-I1640 PolarHBondContact O-N 3.06Å; I1640-T1642 PolarHBondContact O-N 3.3Å; I1640-R1643 PolarHBondContact O-N 3.37Å; I1640-T1644 PolarHBondContact O-N 2.91Å; I1640-T1644 PolarHBondContact O-OG1 3.47Å |
| 1641 | I | 39.1 | Very low | 37.5 | Very low | 48 Ų | 48 | 78.2 Ų | 78.2 | 25% | 0.246 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.4 | -15.7 | 175.9 | -77.4 | -180 | 0 | 0 | 0 | 113.7 | I1637 I1638 Q1645 I1646 | I1637-I1641 HydrophobicContact CG2-CD1 3.71Å; I1637-I1641 HydrophobicContact CG2-CG1 4.32Å; I1637-I1641 WeakPolarHBondContact O-CB 3.33Å; I1637-I1641 VanDerWaalsContact O-CG1 3.3Å; I1637-I1641 WeakPolarHBondContact O-CG1 3.33Å; I1637-I1641 PolarHBondContact O-N 3.3Å; I1638-I1641 CarbonylContact O-C 3.6Å; I1638-I1641 VanDerWaalsContact O-C 3.3Å; I1638-I1641 PolarHBondContact O-N 2.78Å; I1641-Q1645 HydrophobicContact CB-CB 4.02Å; I1641-Q1645 HydrophobicContact CG1-CB 4.21Å; I1641-Q1645 HydrophobicContact CG1-CG 4.44Å; I1641-Q1645 HydrophobicContact CG2-CB 3.63Å; I1641-Q1645 CarbonylContact O-C 3.39Å; I1641-Q1645 WeakPolarHBondContact O-CA 3.46Å; I1641-Q1645 WeakPolarHBondContact O-CB 3.48Å; I1641-Q1645 PolarHBondContact O-N 2.89Å; I1641-I1646 PolarHBondContact O-N 3.49Å |
| 1642 | T | 38.5 | Very low | 37.5 | Very low | 62 Ų | 62 | 78.2 Ų | 78.2 | 38% | 0.38 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -100.6 | -13.6 | 175.4 | 57.5 | 0 | 0 | 0 | 0 | 112.6 | I1638 I1639 I1640 I1646 | I1638-T1642 HydrophobicContact CG2-CG2 3.71Å; I1638-T1642 WeakPolarHBondContact O-CA 3.24Å; I1638-T1642 VanDerWaalsContact O-CB 3.29Å; I1638-T1642 WeakPolarHBondContact O-CB 3.31Å; I1638-T1642 WeakPolarHBondContact O-CG2 3.39Å; I1638-T1642 PolarHBondContact O-N 3.23Å; I1638-T1642 PolarHBondContact O-OG1 2.84Å; I1639-T1642 WeakPolarHBondContact CA-OG1 3.48Å; I1639-T1642 PolarHBondContact O-N 3.03Å; I1639-T1642 PolarHBondContact O-OG1 3.42Å; I1640-T1642 PolarHBondContact O-N 3.3Å; T1642-I1646 HydrophobicContact CG2-CD1 3.66Å; T1642-I1646 HydrophobicContact CG2-CG1 3.96Å; T1642-I1646 WeakPolarHBondContact O-CB 3.42Å |
| 1643 | R | 37.8 | Very low | 37.6 | Very low | 207 Ų | 207 | 80 Ų | 80 | 78% | 0.781 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -79.9 | -49 | 157.9 | -94.2 | 179.7 | 155.9 | 168.4 | -8.5 | 112.3 | I1639 I1640 | I1639-R1643 PolarHBondContact O-N 2.94Å; I1640-R1643 PolarHBondContact O-N 3.37Å |
| 1644 | T | 40.6 | Very low | 37.5 | Very low | 39 Ų | 39 | 80.2 Ų | 80.2 | 24% | 0.239 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -107.1 | -18.2 | -172.5 | 22 | 0 | 0 | 0 | 0 | 116.5 | A1471 F1483 I1640 | A1471-T1644 HydrophobicContact CB-CG2 4.25Å; F1483-T1644 HydrophobicContact CE2-CG2 4.13Å; F1483-T1644 HydrophobicContact CZ-CG2 3.69Å; I1640-T1644 PolarHBondContact O-N 2.91Å; I1640-T1644 PolarHBondContact O-OG1 3.47Å |
| 1645 | Q | 34.8 | Very low | 37.3 | Very low | 67 Ų | 67 | 82.3 Ų | 82.3 | 31% | 0.313 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -107.6 | -14.6 | 176.5 | -100.3 | -178.3 | 45.5 | 0 | 0 | 115.2 | I1641 L1647 S1648 V1649 | I1641-Q1645 HydrophobicContact CB-CB 4.02Å; I1641-Q1645 HydrophobicContact CG1-CB 4.21Å; I1641-Q1645 HydrophobicContact CG1-CG 4.44Å; I1641-Q1645 HydrophobicContact CG2-CB 3.63Å; I1641-Q1645 CarbonylContact O-C 3.39Å; I1641-Q1645 WeakPolarHBondContact O-CA 3.46Å; I1641-Q1645 WeakPolarHBondContact O-CB 3.48Å; I1641-Q1645 PolarHBondContact O-N 2.89Å; Q1645-L1647 PolarHBondContact O-N 2.89Å; Q1645-S1648 WeakPolarHBondContact CA-OG 3.49Å; Q1645-S1648 PolarHBondContact O-N 3.35Å; Q1645-V1649 HydrophobicContact CB-CG2 4.04Å; Q1645-V1649 HydrophobicContact CG-CG2 4.01Å; Q1645-V1649 WeakPolarHBondContact O-CB 3.43Å; Q1645-V1649 VanDerWaalsContact O-CG2 3.26Å; Q1645-V1649 WeakPolarHBondContact O-CG2 3.45Å; Q1645-V1649 PolarHBondContact O-N 3.05Å |
| 1646 | I | 38.6 | Very low | 37.1 | Very low | 71 Ų | 71 | 86.5 Ų | 86.5 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 166.6 | -92.1 | -178.9 | 0 | 0 | 0 | 110.1 | L624 I1641 T1642 L1650 | L624-I1646 HydrophobicContact CD1-CG2 4.46Å; I1641-I1646 PolarHBondContact O-N 3.49Å; T1642-I1646 HydrophobicContact CG2-CD1 3.66Å; T1642-I1646 HydrophobicContact CG2-CG1 3.96Å; T1642-I1646 WeakPolarHBondContact O-CB 3.42Å; I1646-L1650 HydrophobicContact CG2-CD1 4.05Å; I1646-L1650 WeakPolarHBondContact O-CB 3.3Å; I1646-L1650 PolarHBondContact O-N 2.63Å |
| 1647 | L | 37.2 | Very low | 37 | Very low | 87 Ų | 87 | 89.7 Ų | 89.7 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 175.5 | -89.2 | 128 | 0 | 0 | 0 | 113 | Q1645 L1651 | Q1645-L1647 PolarHBondContact O-N 2.89Å; L1647-L1651 WeakPolarHBondContact O-CD1 3.46Å |
| 1648 | S | 35.8 | Very low | 36.6 | Very low | 47 Ų | 47 | 92.5 Ų | 92.5 | 33% | 0.329 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -86 | -32.2 | -176.7 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | Q1645 G1652 | Q1645-S1648 WeakPolarHBondContact CA-OG 3.49Å; Q1645-S1648 PolarHBondContact O-N 3.35Å; S1648-G1652 PolarHBondContact O-N 3.12Å |
| 1649 | V | 37.2 | Very low | 36.3 | Very low | 49 Ų | 49 | 91.1 Ų | 91.1 | 30% | 0.297 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -81.6 | -30.2 | -176.8 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | Q1645 G1652 K1653 | Q1645-V1649 HydrophobicContact CB-CG2 4.04Å; Q1645-V1649 HydrophobicContact CG-CG2 4.01Å; Q1645-V1649 WeakPolarHBondContact O-CB 3.43Å; Q1645-V1649 VanDerWaalsContact O-CG2 3.26Å; Q1645-V1649 WeakPolarHBondContact O-CG2 3.45Å; Q1645-V1649 PolarHBondContact O-N 3.05Å; V1649-G1652 PolarHBondContact O-N 3.22Å; V1649-K1653 HydrophobicContact CG1-CD 3.71Å; V1649-K1653 HydrophobicContact CG1-CG 4.18Å; V1649-K1653 WeakPolarHBondContact O-CB 3.29Å; V1649-K1653 PolarHBondContact O-N 3.44Å |
| 1650 | L | 36.8 | Very low | 35.9 | Very low | 94 Ų | 94 | 92.2 Ų | 92.2 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 170.6 | -80.6 | 168.2 | 0 | 0 | 0 | 111.7 | L624 I1646 T1654 | L624-L1650 HydrophobicContact CD1-CD1 4.07Å; I1646-L1650 HydrophobicContact CG2-CD1 4.05Å; I1646-L1650 WeakPolarHBondContact O-CB 3.3Å; I1646-L1650 PolarHBondContact O-N 2.63Å; L1650-T1654 WeakPolarHBondContact O-CB 3.46Å; L1650-T1654 VanDerWaalsContact O-CG2 3.29Å; L1650-T1654 WeakPolarHBondContact O-CG2 3.4Å; L1650-T1654 PolarHBondContact O-N 3.39Å; L1650-T1654 PolarHBondContact O-OG1 3.1Å |
| 1651 | L | 35.7 | Very low | 35.6 | Very low | 126 Ų | 126 | 95 Ų | 95 | 66% | 0.66 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.4 | -39.3 | 171.6 | -83.8 | 163.6 | 0 | 0 | 0 | 112 | L1647 | L1647-L1651 WeakPolarHBondContact O-CD1 3.46Å |
| 1652 | G | 34.4 | Very low | 35.2 | Very low | 47 Ų | 47 | 97.6 Ų | 97.6 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.8 | -32.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | S1648 V1649 | S1648-G1652 PolarHBondContact O-N 3.12Å; V1649-G1652 PolarHBondContact O-N 3.22Å |
| 1653 | K | 33.5 | Very low | 34.9 | Very low | 144 Ų | 144 | 102.9 Ų | 102.9 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -102 | -19.3 | -171.9 | -71.7 | -177.7 | -179.1 | 167.2 | 0 | 115.7 | V1649 | V1649-K1653 HydrophobicContact CG1-CD 3.71Å; V1649-K1653 HydrophobicContact CG1-CG 4.18Å; V1649-K1653 WeakPolarHBondContact O-CB 3.29Å; V1649-K1653 PolarHBondContact O-N 3.44Å |
| 1654 | T | 34.4 | Very low | 34.7 | Very low | 80 Ų | 80 | 99 Ų | 99 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -74.3 | -39.5 | 176.6 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | L1650 K1656 I1657 L1658 | L1650-T1654 WeakPolarHBondContact O-CB 3.46Å; L1650-T1654 VanDerWaalsContact O-CG2 3.29Å; L1650-T1654 WeakPolarHBondContact O-CG2 3.4Å; L1650-T1654 PolarHBondContact O-N 3.39Å; L1650-T1654 PolarHBondContact O-OG1 3.1Å; T1654-K1656 VanDerWaalsContact C-N 3.28Å; T1654-K1656 PolarHBondContact O-N 2.83Å; T1654-I1657 PolarHBondContact O-N 3.41Å; T1654-L1658 PolarHBondContact O-N 2.92Å |
| 1655 | S | 33.5 | Very low | 34.4 | Very low | 89 Ų | 89 | 101.5 Ų | 101.5 | 62% | 0.622 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -51.1 | -42.8 | 175 | 174.7 | 0 | 0 | 0 | 0 | 113.1 | I1657 | S1655-I1657 VanDerWaalsContact C-N 3.33Å; S1655-I1657 PolarHBondContact O-N 2.83Å |
| 1656 | K | 33.5 | Very low | 34.4 | Very low | 183 Ų | 183 | 102.3 Ų | 102.3 | 80% | 0.796 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -81.2 | 0.2 | 178.5 | -80.9 | -177.5 | 175.4 | 173.5 | 0 | 115.6 | T1654 | T1654-K1656 VanDerWaalsContact C-N 3.28Å; T1654-K1656 PolarHBondContact O-N 2.83Å |
| 1657 | I | 36.5 | Very low | 34.1 | Very low | 123 Ų | 123 | 104.5 Ų | 104.5 | 63% | 0.631 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -116.6 | -30.4 | -179.5 | -66.6 | 178.1 | 0 | 0 | 0 | 112.2 | T1654 S1655 T1660 | T1654-I1657 PolarHBondContact O-N 3.41Å; S1655-I1657 VanDerWaalsContact C-N 3.33Å; S1655-I1657 PolarHBondContact O-N 2.83Å; I1657-T1660 PolarHBondContact O-OG1 3.47Å |
| 1658 | L | 31.7 | Very low | 34.1 | Very low | 130 Ų | 130 | 105.9 Ų | 105.9 | 68% | 0.681 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -85.3 | -21.1 | 175 | -124 | 70 | 0 | 0 | 0 | 114.5 | T1654 T1660 Q1661 | T1654-L1658 PolarHBondContact O-N 2.92Å; L1658-T1660 PolarHBondContact O-N 3.36Å; L1658-Q1661 PolarHBondContact O-N 3.13Å |
| 1659 | G | 32.5 | Very low | 34 | Very low | 50 Ų | 50 | 109.4 Ų | 109.4 | 52% | 0.515 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.1 | -14.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1660 | T | 34 | Very low | 34 | Very low | 111 Ų | 111 | 112.1 Ų | 112.1 | 68% | 0.681 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -86.2 | -5.7 | -178.8 | -26.8 | 0 | 0 | 0 | 0 | 114 | I1657 L1658 | I1657-T1660 PolarHBondContact O-OG1 3.47Å; L1658-T1660 PolarHBondContact O-N 3.36Å |
| 1661 | Q | 31 | Very low | 34 | Very low | 142 Ų | 142 | 114.4 Ų | 114.4 | 66% | 0.664 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -110.7 | -25.2 | -179.9 | -82.2 | -71.5 | -14.6 | 0 | 0 | 114.5 | L1658 K1663 | L1658-Q1661 PolarHBondContact O-N 3.13Å; Q1661-K1663 PolarHBondContact O-N 3.15Å |
| 1662 | V | 32.1 | Very low | 33.8 | Very low | 102 Ų | 102 | 116.1 Ų | 116.1 | 62% | 0.618 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -77 | -22 | -177.9 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | N1664 V1665 | V1662-N1664 PolarHBondContact O-N 2.98Å; V1662-V1665 PolarHBondContact O-N 3.32Å; V1662-V1665 VanDerWaalsContact O-N 3.08Å |
| 1663 | K | 32.5 | Very low | 33.7 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 75% | 0.752 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -11.7 | 178.9 | -101.4 | -177.6 | 175.2 | 179.8 | 0 | 115.4 | Q1661 | Q1661-K1663 PolarHBondContact O-N 3.15Š|
| 1664 | N | 32.7 | Very low | 33.7 | Very low | 126 Ų | 126 | 126 Ų | 126 | 67% | 0.674 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -7.3 | 175.2 | -80.7 | -7.8 | 0 | 0 | 0 | 114.7 | V1662 | V1662-N1664 PolarHBondContact O-N 2.98Š|
| 1665 | V | 33.9 | Very low | 33.7 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 55% | 0.552 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -34 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | V1662 N1667 L1668 | V1662-V1665 PolarHBondContact O-N 3.32Å; V1662-V1665 VanDerWaalsContact O-N 3.08Å; V1665-N1667 PolarHBondContact O-N 3.4Å; V1665-N1667 VanDerWaalsContact O-N 3.09Å; V1665-L1668 PolarHBondContact O-N 3.5Å |
| 1666 | S | 34.3 | Very low | 33.7 | Very low | 84 Ų | 84 | 130.6 Ų | 130.6 | 59% | 0.587 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -15.4 | 177.5 | -166.3 | 0 | 0 | 0 | 0 | 115 | T1670 | S1666-T1670 PolarHBondContact O-OG1 3.3Š|
| 1667 | N | 34.1 | Very low | 33.7 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 63% | 0.626 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 0.1 | 176.6 | -81.7 | -0.2 | 0 | 0 | 0 | 113.5 | V1665 | V1665-N1667 PolarHBondContact O-N 3.4Å; V1665-N1667 VanDerWaalsContact O-N 3.09Å |
| 1668 | L | 35.4 | Very low | 33.5 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 60% | 0.602 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -32.9 | 173.7 | -115.4 | 80.4 | 0 | 0 | 0 | 113 | V1665 L1671 | V1665-L1668 PolarHBondContact O-N 3.5Å; L1668-L1671 PolarHBondContact O-N 3.18Å |
| 1669 | L | 34.5 | Very low | 33.6 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 63% | 0.634 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -71.1 | -32.2 | 178.1 | -108.9 | 67.4 | 0 | 0 | 0 | 112.8 | L1671 M1672 Y1673 | L1669-L1671 PolarHBondContact O-N 2.88Å; L1669-L1671 VanDerWaalsContact O-N 3.08Å; L1669-M1672 PolarHBondContact O-N 3.19Å; L1669-Y1673 PolarHBondContact O-N 3.17Å |
| 1670 | T | 37.3 | Very low | 33.7 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 66% | 0.656 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -74.6 | 15.1 | 170.2 | -24.3 | 0 | 0 | 0 | 0 | 113.5 | S1666 | S1666-T1670 PolarHBondContact O-OG1 3.3Š|
| 1671 | L | 36.4 | Very low | 33.7 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -129.2 | 7.4 | 170 | -98.8 | 163.4 | 0 | 0 | 0 | 111.6 | L1668 L1669 | L1668-L1671 PolarHBondContact O-N 3.18Å; L1669-L1671 PolarHBondContact O-N 2.88Å; L1669-L1671 VanDerWaalsContact O-N 3.08Å |
| 1672 | M | 32.2 | Very low | 33.9 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 79% | 0.793 | 69% | 0.692 | S | S | * | * | trans | -121.4 | 3.5 | 170.6 | -68.4 | -168.6 | 65.7 | 0 | 0 | 112.7 | L1669 | L1669-M1672 PolarHBondContact O-N 3.19Š| ||
| 1673 | Y | 31.8 | Very low | 34.1 | Very low | 272 Ų | 272 | 137.2 Ų | 137.2 | 100% | 1.067 | 70% | 0.699 | S | S | * | * | trans | -121.5 | 0 | 158.5 | -106.3 | -80.8 | 0 | 0 | 0 | 107.4 | L1669 | L1669-Y1673 PolarHBondContact O-N 3.17Š|
Retrieved 1,673 of 1,673 residues in 2001 ms
(Link to these results)