| 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 | 33.8 | Very low | 44.3 | Very low | 240 Ų | 240 | 119.5 Ų | 119.5 | 100% | 1.182 | 60% | 0.6 | S | S | * | * | 0 | 97.5 | 0 | -76 | 177.5 | 176.2 | 0 | 0 | 107.2 | |||||
| 2 | K | 42.8 | Very low | 44.2 | Very low | 112 Ų | 112 | 116.8 Ų | 116.8 | 49% | 0.487 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -76.8 | 126.8 | 179.3 | -61.2 | -170.8 | -176.1 | 179.9 | 0 | 107.7 | P4 D42 A43 D44 | K2-P4 WeakPolarHBondContact O-CD 3.36Å; K2-D42 WeakPolarHBondContact CA-O 3.29Å; K2-D42 VanDerWaalsContact CB-O 3.31Å; K2-D42 WeakPolarHBondContact CB-O 3.41Å; K2-A43 WeakPolarHBondContact CD-O 3.3Å; K2-D44 HydrophobicContact CB-CB 3.68Å; K2-D44 VanDerWaalsContact CD-CA 3.45Å; K2-D44 HydrophobicContact CD-CB 3.84Å; K2-D44 HydrophobicContact CG-CB 4.44Å; K2-D44 IonicContact NZ-OD1 3.85Å |
| 3 | R | 41.8 | Very low | 43.8 | Very low | 179 Ų | 179 | 114.2 Ų | 114.2 | 68% | 0.675 | 59% | 0.588 | S | S | * | * | B | Isolated β-bridge | trans | -65 | 123 | -176.4 | -80.9 | -178.9 | 173.5 | -178 | -1.1 | 109.4 | ||
| 4 | P | 48.8 | Very low | 43.9 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 51% | 0.506 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -66 | 148.9 | 174.5 | 25.4 | -31.2 | 0 | 0 | 0 | 111.1 | K2 Q6 L13 | K2-P4 WeakPolarHBondContact O-CD 3.36Å; P4-Q6 PolarHBondContact O-N 3.32Å; P4-L13 HydrophobicContact CB-CD2 4.07Å |
| 5 | L | 44.7 | Very low | 43.7 | Very low | 23 Ų | 23 | 121.8 Ų | 121.8 | 12% | 0.12 | 62% | 0.617 | C | S | . | * | P | Polyproline II helix | trans | -54.2 | 125.7 | -178.3 | -118.4 | 109 | 0 | 0 | 0 | 111.6 | L7 C48 V51 | L5-L7 HydrophobicContact CD2-CD1 4.16Å; L5-L7 HydrophobicContact CD2-CD2 3.64Å; L5-L7 HydrophobicContact CD2-CG 3.79Å; L5-C48 HydrophobicContact CD1-CB 4.15Å; L5-C48 WeakPolarHBondContact CD1-SG 3.43Å; L5-V51 HydrophobicContact CD2-CG1 4.38Å |
| 6 | Q | 49 | Very low | 43.5 | Very low | 145 Ų | 145 | 116.4 Ų | 116.4 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -87 | 120.3 | 164.1 | -77.4 | 177.7 | -37.6 | 0 | 0 | 108 | P4 | P4-Q6 PolarHBondContact O-N 3.32Š|
| 7 | L | 48.7 | Very low | 43.3 | Very low | 27 Ų | 27 | 118.1 Ų | 118.1 | 14% | 0.141 | 60% | 0.603 | C | S | . | * | trans | -112.7 | -8.3 | -176.8 | -78.3 | 165.2 | 0 | 0 | 0 | 114.1 | L5 L25 V51 | L5-L7 HydrophobicContact CD2-CD1 4.16Å; L5-L7 HydrophobicContact CD2-CD2 3.64Å; L5-L7 HydrophobicContact CD2-CG 3.79Å; L7-L25 HydrophobicContact CB-CD2 4.15Å; L7-L25 HydrophobicContact CD1-CD2 3.77Å; L7-V51 HydrophobicContact CD1-CG1 4.21Å | ||
| 8 | D | 40.3 | Very low | 43.4 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -158 | 153.7 | 171 | -130.5 | -24.7 | 0 | 0 | 0 | 106.3 | N10 K28 | D8-N10 PolarHBondContact O-N 3.36Å; D8-K28 IonicContact OD2-NZ 3.03Å; D8-K28 PolarHBondContact OD2-NZ 2.88Å |
| 9 | D | 50.9 | Low | 43.1 | Very low | 162 Ų | 162 | 125.4 Ų | 125.4 | 87% | 0.866 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -62.3 | -11.7 | -175.9 | -80.6 | -25 | 0 | 0 | 0 | 113.6 | ||
| 10 | N | 47.5 | Very low | 43.2 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 77% | 0.765 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -141.2 | 98.5 | 175.6 | -71.2 | -51.7 | 0 | 0 | 0 | 110.7 | D8 | D8-N10 PolarHBondContact O-N 3.36Š|
| 11 | V | 38.7 | Very low | 43.1 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 70% | 0.703 | 63% | 0.631 | S | S | * | * | trans | 168.5 | 129.6 | 145.5 | 159.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 12 | S | 43.3 | Very low | 43.6 | Very low | 88 Ų | 88 | 120.1 Ų | 120.1 | 62% | 0.615 | 60% | 0.601 | S | S | * | * | trans | -88.1 | 150.1 | 178.1 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | E14 | S12-E14 VanDerWaalsContact C-N 3.3Å; S12-E14 PolarHBondContact O-N 3.25Å; S12-E14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | L | 39.9 | Very low | 43.7 | Very low | 82 Ų | 82 | 118 Ų | 118 | 43% | 0.429 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -61.5 | -25.3 | -165.1 | -153.5 | 84.2 | 0 | 0 | 0 | 115.3 | P4 E15 S16 | P4-L13 HydrophobicContact CB-CD2 4.07Å; L13-E15 PolarHBondContact O-N 3.27Å; L13-S16 PolarHBondContact O-N 3.29Å; L13-S16 PolarHBondContact O-OG 3.13Å |
| 14 | E | 44.1 | Very low | 43.9 | Very low | 174 Ų | 174 | 113.6 Ų | 113.6 | 81% | 0.813 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -69.8 | -29.8 | -170.6 | -71.7 | -172 | 160.1 | 0 | 0 | 114 | S12 S16 | S12-E14 VanDerWaalsContact C-N 3.3Å; S12-E14 PolarHBondContact O-N 3.25Å; S12-E14 VanDerWaalsContact O-N 3.15Å; E14-S16 VanDerWaalsContact C-N 3.32Å |
| 15 | E | 40.7 | Very low | 43.8 | Very low | 169 Ų | 169 | 113.5 Ų | 113.5 | 79% | 0.79 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -82.2 | -9.5 | 176.2 | -70.3 | -171.5 | 149 | 0 | 0 | 113.3 | L13 | L13-E15 PolarHBondContact O-N 3.27Š|
| 16 | S | 40.4 | Very low | 44 | Very low | 36 Ų | 36 | 112.5 Ų | 112.5 | 25% | 0.252 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | -18.4 | -172 | 75.6 | 0 | 0 | 0 | 0 | 115.5 | L13 E14 K18 | L13-S16 PolarHBondContact O-N 3.29Å; L13-S16 PolarHBondContact O-OG 3.13Å; E14-S16 VanDerWaalsContact C-N 3.32Å; S16-K18 PolarHBondContact O-N 3.14Å |
| 17 | L | 41.2 | Very low | 44.1 | Very low | 145 Ų | 145 | 111.8 Ų | 111.8 | 76% | 0.759 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -73.1 | -18 | -174.5 | -81.8 | 160 | 0 | 0 | 0 | 115.1 | ||
| 18 | K | 45 | Very low | 44.5 | Very low | 193 Ų | 193 | 116.4 Ų | 116.4 | 84% | 0.839 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -100.6 | -19.6 | -161.7 | -78.4 | -177.2 | 177.9 | 173.3 | 0 | 117.5 | S16 | S16-K18 PolarHBondContact O-N 3.14Š|
| 19 | K | 36.8 | Very low | 45.8 | Very low | 182 Ų | 182 | 112.4 Ų | 112.4 | 79% | 0.791 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -148.4 | 108.5 | -175 | -74.5 | -175.8 | 179.3 | 172.5 | 0 | 112.9 | K21 | K19-K21 PolarHBondContact O-N 3.02Š|
| 20 | K | 45.3 | Very low | 46.6 | Very low | 206 Ų | 206 | 107.6 Ų | 107.6 | 90% | 0.896 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 49.4 | 8.8 | 155.3 | -71.5 | -176.2 | 174.5 | -179.7 | 0 | 118.7 | ||
| 21 | K | 41.8 | Very low | 47.4 | Very low | 107 Ų | 107 | 100.8 Ų | 100.8 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 2.4 | -177.1 | -86.2 | -154.6 | 176.5 | -179.7 | 0 | 116.2 | K19 V23 L24 L25 | K19-K21 PolarHBondContact O-N 3.02Å; K21-V23 PolarHBondContact O-N 3.48Å; K21-V23 VanDerWaalsContact O-N 3.14Å; K21-L24 HydrophobicContact CB-CB 3.85Å; K21-L24 HydrophobicContact CD-CB 3.89Å; K21-L24 HydrophobicContact CD-CD1 4.24Å; K21-L24 HydrophobicContact CD-CD2 3.88Å; K21-L24 HydrophobicContact CD-CG 4.2Å; K21-L24 HydrophobicContact CG-CB 3.51Å; K21-L24 HydrophobicContact CG-CD1 4Å; K21-L24 HydrophobicContact CG-CD2 4.39Å; K21-L24 HydrophobicContact CG-CG 4.15Å; K21-L24 CarbonylContact O-C 3.54Å; K21-L24 WeakPolarHBondContact O-CA 3.44Å; K21-L24 PolarHBondContact O-N 3.25Å; K21-L25 PolarHBondContact O-N 3.42Å |
| 22 | A | 44 | Very low | 48.8 | Very low | 66 Ų | 66 | 97.8 Ų | 97.8 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -54.7 | -30.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L24 S26 | A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 PolarHBondContact O-N 3.43Å; A22-S26 WeakPolarHBondContact O-CB 3.38Å; A22-S26 PolarHBondContact O-N 3.26Å; A22-S26 PolarHBondContact O-OG 3.44Å |
| 23 | V | 44.7 | Very low | 49.8 | Very low | 67 Ų | 67 | 95.9 Ų | 95.9 | 41% | 0.406 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.9 | -13.9 | 172.2 | -178.1 | 0 | 0 | 0 | 0 | 113.6 | K21 S26 K63 | K21-V23 PolarHBondContact O-N 3.48Å; K21-V23 VanDerWaalsContact O-N 3.14Å; V23-S26 WeakPolarHBondContact CA-OG 3.46Å; V23-S26 PolarHBondContact O-OG 3.13Å; V23-K63 HydrophobicContact CG1-CD 4.33Å |
| 24 | L | 45 | Very low | 51.1 | Low | 87 Ų | 87 | 92.1 Ų | 92.1 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -108.2 | -32.3 | -175.3 | -146.6 | 138.4 | 0 | 0 | 0 | 112.4 | K21 A22 S26 K27 | K21-L24 HydrophobicContact CB-CB 3.85Å; K21-L24 HydrophobicContact CD-CB 3.89Å; K21-L24 HydrophobicContact CD-CD1 4.24Å; K21-L24 HydrophobicContact CD-CD2 3.88Å; K21-L24 HydrophobicContact CD-CG 4.2Å; K21-L24 HydrophobicContact CG-CB 3.51Å; K21-L24 HydrophobicContact CG-CD1 4Å; K21-L24 HydrophobicContact CG-CD2 4.39Å; K21-L24 HydrophobicContact CG-CG 4.15Å; K21-L24 CarbonylContact O-C 3.54Å; K21-L24 WeakPolarHBondContact O-CA 3.44Å; K21-L24 PolarHBondContact O-N 3.25Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 PolarHBondContact O-N 3.43Å; L24-S26 VanDerWaalsContact C-N 3.33Å; L24-K27 PolarHBondContact O-N 3.04Å |
| 25 | L | 47.3 | Very low | 52.1 | Low | 76 Ų | 76 | 86.1 Ų | 86.1 | 40% | 0.398 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72.2 | -30 | 166.5 | -75 | 164.2 | 0 | 0 | 0 | 111.5 | L7 K21 K27 K28 | L7-L25 HydrophobicContact CB-CD2 4.15Å; L7-L25 HydrophobicContact CD1-CD2 3.77Å; K21-L25 PolarHBondContact O-N 3.42Å; L25-K27 PolarHBondContact O-N 3.41Å; L25-K28 CarbonylContact O-C 3.6Å; L25-K28 PolarHBondContact O-N 2.9Å |
| 26 | S | 49.5 | Very low | 53.3 | Low | 2 Ų | 2 | 80.6 Ų | 80.6 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -61 | -32.1 | 170.8 | 59 | 0 | 0 | 0 | 0 | 113.3 | A22 V23 L24 K28 A58 S64 | A22-S26 WeakPolarHBondContact O-CB 3.38Å; A22-S26 PolarHBondContact O-N 3.26Å; A22-S26 PolarHBondContact O-OG 3.44Å; V23-S26 WeakPolarHBondContact CA-OG 3.46Å; V23-S26 PolarHBondContact O-OG 3.13Å; L24-S26 VanDerWaalsContact C-N 3.33Å; S26-K28 VanDerWaalsContact C-N 3.26Å; S26-K28 PolarHBondContact O-N 2.99Å; S26-A58 WeakPolarHBondContact OG-CB 3.34Å; S26-S64 WeakPolarHBondContact O-CB 3.43Å; S26-S64 PolarHBondContact O-OG 3.04Å |
| 27 | K | 51.1 | Low | 54.5 | Low | 130 Ų | 130 | 79.5 Ų | 79.5 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -76.5 | -6.5 | -178.8 | -78.5 | -172.5 | 175.3 | -162.4 | 0 | 114.4 | L24 L25 K63 | L24-K27 PolarHBondContact O-N 3.04Å; L25-K27 PolarHBondContact O-N 3.41Å; K27-K63 WeakPolarHBondContact CE-O 3.37Å; K27-K63 VanDerWaalsContact CG-O 3.25Å; K27-K63 WeakPolarHBondContact CG-O 3.43Å |
| 28 | K | 57.8 | Low | 55.5 | Low | 124 Ų | 124 | 72.7 Ų | 72.7 | 54% | 0.539 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -138.5 | 45.3 | -179.4 | -72.2 | -171 | 169.4 | -159.8 | 0 | 110 | D8 L25 S26 N30 | D8-K28 IonicContact OD2-NZ 3.03Å; D8-K28 PolarHBondContact OD2-NZ 2.88Å; L25-K28 CarbonylContact O-C 3.6Å; L25-K28 PolarHBondContact O-N 2.9Å; S26-K28 VanDerWaalsContact C-N 3.26Å; S26-K28 PolarHBondContact O-N 2.99Å; K28-N30 PolarHBondContact O-N 3.43Å |
| 29 | F | 66.1 | Low | 56.3 | Low | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | trans | -69.1 | 123.6 | 175.9 | -179.9 | -106.9 | 0 | 0 | 0 | 107.4 | F34 W52 A55 D66 P68 E71 | F29-F34 HydrophobicContact CE2-CB 4.1Å; F29-F34 HydrophobicContact CE2-CD2 4.31Å; F29-F34 HydrophobicContact CE2-CG 4.13Å; F29-F34 HydrophobicContact CZ-CB 3.83Å; F29-F34 AromaticContact CZ-CD1 3.97Å; F29-F34 HydrophobicContact CZ-CD1 3.97Å; F29-F34 HydrophobicContact CZ-CD2 4.35Å; F29-F34 AromaticContact CZ-CG 3.79Å; F29-F34 HydrophobicContact CZ-CG 3.79Å; F29-W52 AromaticContact CZ-CD1 3.78Å; F29-A55 HydrophobicContact CB-CB 4.19Å; F29-A55 HydrophobicContact CD2-CB 3.59Å; F29-A55 HydrophobicContact CE2-CB 4.19Å; F29-A55 HydrophobicContact CG-CB 3.9Å; F29-D66 HydrophobicContact CB-CB 4.2Å; F29-D66 PolarHBondContact N-OD2 2.93Å; F29-P68 HydrophobicContact CD1-CB 3.74Å; F29-P68 HydrophobicContact CD1-CG 3.98Å; F29-P68 VanDerWaalsContact CE1-CA 3.42Å; F29-P68 HydrophobicContact CE1-CB 3.53Å; F29-P68 HydrophobicContact CE1-CG 4.29Å; F29-P68 HydrophobicContact CG-CB 4.45Å; F29-P68 HydrophobicContact CG-CG 4.41Å; F29-P68 HydrophobicContact CZ-CB 4.03Å; F29-E71 HydrophobicContact CD1-CB 4.37Å; F29-E71 HydrophobicContact CD1-CG 4.48Å; F29-E71 WeakPolarHBondContact CD1-OE2 3.23Å; F29-E71 HydrophobicContact CE1-CB 3.89Å; F29-E71 HydrophobicContact CE1-CG 4.47Å; F29-E71 WeakPolarHBondContact CE1-OE2 3.23Å | ||
| 30 | N | 67.7 | Low | 57.8 | Low | 60 Ų | 60 | 62.6 Ų | 62.6 | 32% | 0.321 | 33% | 0.329 | S | S | . | . | trans | -115.2 | 111.4 | -178.8 | -177.9 | -21.4 | 0 | 0 | 0 | 110.1 | K28 S32 L33 F34 | K28-N30 PolarHBondContact O-N 3.43Å; N30-S32 VanDerWaalsContact C-N 3.26Å; N30-S32 PolarHBondContact O-N 2.87Å; N30-S32 WeakPolarHBondContact OD1-CB 3.11Å; N30-S32 PolarHBondContact OD1-N 3.33Å; N30-S32 VanDerWaalsContact OD1-N 3.1Å; N30-S32 PolarHBondContact OD1-OG 3.15Å; N30-L33 HydrophobicContact CB-CB 4.4Å; N30-L33 HydrophobicContact CB-CD1 4.05Å; N30-L33 HydrophobicContact CB-CG 4.48Å; N30-L33 PolarHBondContact O-N 3.35Å; N30-F34 PolarHBondContact O-N 3.37Å; N30-F34 VanDerWaalsContact O-N 3.08Å | ||
| 31 | G | 64.5 | Low | 58.6 | Low | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -31.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F34 H35 E71 H75 | G31-F34 PolarHBondContact O-N 3.48Å; G31-H35 WeakPolarHBondContact O-CB 3.38Å; G31-H35 PolarHBondContact O-N 3.38Å; G31-E71 WeakPolarHBondContact CA-OE2 3.27Å; G31-E71 PolarHBondContact N-OE1 3.21Å; G31-E71 PolarHBondContact N-OE2 3.36Å; G31-H75 PolarHBondContact O-CD2 3.47Å |
| 32 | S | 68.3 | Low | 59.7 | Low | 53 Ų | 53 | 58.9 Ų | 58.9 | 37% | 0.371 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.4 | -39 | -178.9 | 72.3 | 0 | 0 | 0 | 0 | 111.2 | N30 S36 H75 | N30-S32 VanDerWaalsContact C-N 3.26Å; N30-S32 PolarHBondContact O-N 2.87Å; N30-S32 WeakPolarHBondContact OD1-CB 3.11Å; N30-S32 PolarHBondContact OD1-N 3.33Å; N30-S32 VanDerWaalsContact OD1-N 3.1Å; N30-S32 PolarHBondContact OD1-OG 3.15Å; S32-S36 VanDerWaalsContact O-CB 3.31Å; S32-S36 WeakPolarHBondContact O-CB 3.39Å; S32-S36 PolarHBondContact O-N 3.47Å; S32-S36 PolarHBondContact O-OG 3.49Å; S32-H75 WeakPolarHBondContact CA-NE2 3.38Å; S32-H75 PolarHBondContact N-NE2 3.28Å |
| 33 | L | 64.3 | Low | 60.5 | Low | 48 Ų | 48 | 56.3 Ų | 56.3 | 25% | 0.251 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.1 | -39.4 | 174.8 | -73.5 | 169.2 | 0 | 0 | 0 | 111.1 | N30 S36 S37 | N30-L33 HydrophobicContact CB-CB 4.4Å; N30-L33 HydrophobicContact CB-CD1 4.05Å; N30-L33 HydrophobicContact CB-CG 4.48Å; N30-L33 PolarHBondContact O-N 3.35Å; L33-S36 WeakPolarHBondContact CA-OG 3.15Å; L33-S36 PolarHBondContact O-OG 3.44Å; L33-S37 WeakPolarHBondContact O-CB 3.37Å; L33-S37 PolarHBondContact O-N 3.08Å; L33-S37 VanDerWaalsContact O-N 3.08Å; L33-S37 PolarHBondContact O-OG 3.06Å |
| 34 | F | 68.1 | Low | 61.7 | Low | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 173.4 | -179 | -111.2 | 0 | 0 | 0 | 111.8 | F29 N30 G31 S37 I38 C48 W52 F72 | F29-F34 HydrophobicContact CE2-CB 4.1Å; F29-F34 HydrophobicContact CE2-CD2 4.31Å; F29-F34 HydrophobicContact CE2-CG 4.13Å; F29-F34 HydrophobicContact CZ-CB 3.83Å; F29-F34 AromaticContact CZ-CD1 3.97Å; F29-F34 HydrophobicContact CZ-CD1 3.97Å; F29-F34 HydrophobicContact CZ-CD2 4.35Å; F29-F34 AromaticContact CZ-CG 3.79Å; F29-F34 HydrophobicContact CZ-CG 3.79Å; N30-F34 PolarHBondContact O-N 3.37Å; N30-F34 VanDerWaalsContact O-N 3.08Å; G31-F34 PolarHBondContact O-N 3.48Å; F34-S37 CarbonylContact O-C 3.38Å; F34-S37 WeakPolarHBondContact O-CB 3.31Å; F34-S37 PolarHBondContact O-N 3.31Å; F34-S37 VanDerWaalsContact O-N 3.16Å; F34-I38 HydrophobicContact CD1-CD1 3.53Å; F34-I38 HydrophobicContact CD1-CG1 4.4Å; F34-I38 HydrophobicContact CE1-CD1 3.15Å; F34-I38 HydrophobicContact CE1-CG1 4.09Å; F34-I38 HydrophobicContact CE2-CD1 4.35Å; F34-I38 HydrophobicContact CE2-CG1 4.46Å; F34-I38 HydrophobicContact CG-CD1 4.28Å; F34-I38 HydrophobicContact CZ-CD1 3.61Å; F34-I38 HydrophobicContact CZ-CG1 4.1Å; F34-I38 WeakPolarHBondContact O-CG1 3.31Å; F34-I38 PolarHBondContact O-N 3.21Å; F34-C48 HydrophobicContact CE2-CB 4.42Å; F34-W52 AromaticContact CD1-CD1 3.92Å; F34-W52 AromaticContact CE1-CD1 3.27Å; F34-W52 HydrophobicContact CE1-CG 4.16Å; F34-W52 AromaticContact CE1-NE1 3.82Å; F34-W52 HydrophobicContact CE2-CB 3.76Å; F34-W52 AromaticContact CE2-CD1 3.82Å; F34-W52 HydrophobicContact CE2-CG 4.12Å; F34-W52 HydrophobicContact CZ-CB 3.79Å; F34-W52 AromaticContact CZ-CD1 3.23Å; F34-W52 AromaticContact CZ-CG 3.68Å; F34-W52 HydrophobicContact CZ-CG 3.68Å; F34-F72 HydrophobicContact CE1-CD2 4.26Å |
| 35 | H | 63.5 | Low | 62.8 | Low | 49 Ų | 49 | 51.7 Ų | 51.7 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.2 | -39.2 | -179.6 | -166.4 | -85.5 | 0 | 0 | 0 | 113.6 | G31 S37 I38 G39 H75 S76 | G31-H35 WeakPolarHBondContact O-CB 3.38Å; G31-H35 PolarHBondContact O-N 3.38Å; H35-S37 PolarHBondContact O-N 3.04Å; H35-I38 PolarHBondContact O-N 2.77Å; H35-I38 VanDerWaalsContact O-N 3.08Å; H35-G39 PolarHBondContact O-N 2.56Å; H35-H75 HydrophobicContact CB-CB 3.28Å; H35-H75 WeakPolarHBondContact CD2-CB 3.36Å; H35-H75 PolarHBondContact CD2-O 2.65Å; H35-H75 PolarHBondContact CE1-O 3.28Å; H35-H75 VanDerWaalsContact CE1-O 3.31Å; H35-H75 PolarHBondContact NE2-O 3.11Å; H35-S76 PolarHBondContact CD2-N 3.28Å; H35-S76 WeakPolarHBondContact NE2-CA 3.28Å; H35-S76 PolarHBondContact NE2-N 3.23Å |
| 36 | S | 67 | Low | 63.8 | Low | 52 Ų | 52 | 49.8 Ų | 49.8 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.2 | -27.5 | 171.5 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | S32 L33 R40 | S32-S36 VanDerWaalsContact O-CB 3.31Å; S32-S36 WeakPolarHBondContact O-CB 3.39Å; S32-S36 PolarHBondContact O-N 3.47Å; S32-S36 PolarHBondContact O-OG 3.49Å; L33-S36 WeakPolarHBondContact CA-OG 3.15Å; L33-S36 PolarHBondContact O-OG 3.44Å; S36-R40 WeakPolarHBondContact O-CG 3.43Å |
| 37 | S | 65.2 | Low | 64.7 | Low | 14 Ų | 14 | 52 Ų | 52 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -76.2 | -34.6 | 171.1 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | L33 F34 H35 R40 A43 | L33-S37 WeakPolarHBondContact O-CB 3.37Å; L33-S37 PolarHBondContact O-N 3.08Å; L33-S37 VanDerWaalsContact O-N 3.08Å; L33-S37 PolarHBondContact O-OG 3.06Å; F34-S37 CarbonylContact O-C 3.38Å; F34-S37 WeakPolarHBondContact O-CB 3.31Å; F34-S37 PolarHBondContact O-N 3.31Å; F34-S37 VanDerWaalsContact O-N 3.16Å; H35-S37 PolarHBondContact O-N 3.04Å; S37-R40 PolarHBondContact O-N 3.26Å; S37-A43 WeakPolarHBondContact O-CB 3.45Å |
| 38 | I | 63.1 | Low | 65.6 | Low | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 176 | -70.2 | 164 | 0 | 0 | 0 | 111.7 | F34 H35 R40 F72 E81 W85 | F34-I38 HydrophobicContact CD1-CD1 3.53Å; F34-I38 HydrophobicContact CD1-CG1 4.4Å; F34-I38 HydrophobicContact CE1-CD1 3.15Å; F34-I38 HydrophobicContact CE1-CG1 4.09Å; F34-I38 HydrophobicContact CE2-CD1 4.35Å; F34-I38 HydrophobicContact CE2-CG1 4.46Å; F34-I38 HydrophobicContact CG-CD1 4.28Å; F34-I38 HydrophobicContact CZ-CD1 3.61Å; F34-I38 HydrophobicContact CZ-CG1 4.1Å; F34-I38 WeakPolarHBondContact O-CG1 3.31Å; F34-I38 PolarHBondContact O-N 3.21Å; H35-I38 PolarHBondContact O-N 2.77Å; H35-I38 VanDerWaalsContact O-N 3.08Å; I38-R40 PolarHBondContact O-N 2.94Å; I38-F72 HydrophobicContact CD1-CD2 4.42Å; I38-F72 HydrophobicContact CD1-CE2 4.44Å; I38-E81 HydrophobicContact CG2-CB 3.25Å; I38-E81 HydrophobicContact CG2-CG 3.81Å; I38-W85 HydrophobicContact CB-CH2 4.22Å; I38-W85 HydrophobicContact CB-CZ2 4.4Å; I38-W85 HydrophobicContact CG1-CH2 3.87Å; I38-W85 HydrophobicContact CG1-CZ3 4.26Å; I38-W85 HydrophobicContact CG2-CH2 4.39Å; I38-W85 HydrophobicContact CG2-CZ2 4.35Å; I38-W85 WeakPolarHBondContact O-CZ2 3.27Å |
| 39 | G | 62 | Low | 66.4 | Low | 51 Ų | 51 | 40.1 Ų | 40.1 | 53% | 0.526 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -2.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | H35 | H35-G39 PolarHBondContact O-N 2.56Š|
| 40 | R | 66.8 | Low | 66.7 | Low | 111 Ų | 111 | 42.6 Ų | 42.6 | 42% | 0.419 | 24% | 0.243 | S | C | . | . | trans | -91.4 | 132.2 | 179.9 | -79.4 | 179.2 | -172.4 | 176.6 | 4.7 | 111.2 | S36 S37 I38 D42 A43 | S36-R40 WeakPolarHBondContact O-CG 3.43Å; S37-R40 PolarHBondContact O-N 3.26Å; I38-R40 PolarHBondContact O-N 2.94Å; R40-D42 VanDerWaalsContact C-N 3.25Å; R40-D42 PolarHBondContact O-N 3.45Å; R40-A43 HydrophobicContact CB-CB 4.34Å | ||
| 41 | E | 63.5 | Low | 66.9 | Low | 155 Ų | 155 | 41.6 Ų | 41.6 | 72% | 0.724 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -24.2 | 179.3 | -61.5 | -160.7 | 120.4 | 0 | 0 | 113.9 | R88 | E41-R88 IonicContact OE1-CZ 3.33Å; E41-R88 IonicContact OE1-NH2 3.74Å; E41-R88 PolarHBondContact OE1-NH2 2.96Å |
| 42 | D | 64 | Low | 67.5 | Low | 81 Ų | 81 | 41.6 Ų | 41.6 | 43% | 0.433 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 9.8 | -174.3 | 60.2 | -36.8 | 0 | 0 | 0 | 114.5 | K2 R40 | K2-D42 WeakPolarHBondContact CA-O 3.29Å; K2-D42 VanDerWaalsContact CB-O 3.31Å; K2-D42 WeakPolarHBondContact CB-O 3.41Å; R40-D42 VanDerWaalsContact C-N 3.25Å; R40-D42 PolarHBondContact O-N 3.45Å |
| 43 | A | 61.3 | Low | 68 | Low | 12 Ų | 12 | 40.4 Ų | 40.4 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -71.6 | 142.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K2 S37 R40 I45 W85 | K2-A43 WeakPolarHBondContact CD-O 3.3Å; S37-A43 WeakPolarHBondContact O-CB 3.45Å; R40-A43 HydrophobicContact CB-CB 4.34Å; A43-I45 PolarHBondContact O-N 3.28Å; A43-W85 HydrophobicContact CB-CZ2 4.37Å |
| 44 | D | 70.4 | Confident | 68.6 | Low | 43 Ų | 43 | 41.7 Ų | 41.7 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | trans | -76.8 | 87.9 | 172.8 | -170.1 | 25 | 0 | 0 | 0 | 112.4 | K2 T46 S47 C48 | K2-D44 HydrophobicContact CB-CB 3.68Å; K2-D44 VanDerWaalsContact CD-CA 3.45Å; K2-D44 HydrophobicContact CD-CB 3.84Å; K2-D44 HydrophobicContact CG-CB 4.44Å; K2-D44 IonicContact NZ-OD1 3.85Å; D44-T46 PolarHBondContact O-N 3.5Å; D44-T46 VanDerWaalsContact O-N 3.16Å; D44-S47 PolarHBondContact O-N 2.85Å; D44-S47 VanDerWaalsContact O-N 3.08Å; D44-S47 VanDerWaalsContact OD2-CB 3.23Å; D44-S47 WeakPolarHBondContact OD2-CB 3.5Å; D44-S47 PolarHBondContact OD2-OG 3.18Å; D44-C48 PolarHBondContact O-N 2.95Å; D44-C48 PolarHBondContact O-SG 3.14Å | ||
| 45 | I | 68 | Low | 68.9 | Low | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -46.8 | -45.9 | -178.6 | -57.5 | 175.2 | 0 | 0 | 0 | 111.7 | A43 C48 M49 W85 V89 T94 I98 | A43-I45 PolarHBondContact O-N 3.28Å; I45-C48 PolarHBondContact O-N 3.28Å; I45-M49 HydrophobicContact CG2-CG 4.2Å; I45-M49 WeakPolarHBondContact O-CB 3.4Å; I45-M49 WeakPolarHBondContact O-CG 3.37Å; I45-M49 PolarHBondContact O-N 3.29Å; I45-W85 HydrophobicContact CB-CE3 4.48Å; I45-W85 HydrophobicContact CD1-CB 4.25Å; I45-W85 HydrophobicContact CD1-CD2 4.05Å; I45-W85 HydrophobicContact CD1-CG 3.81Å; I45-W85 HydrophobicContact CG1-CD2 3.87Å; I45-W85 HydrophobicContact CG1-CE3 4.28Å; I45-W85 HydrophobicContact CG1-CG 4.2Å; I45-W85 HydrophobicContact CG1-CZ2 4.19Å; I45-W85 HydrophobicContact CG2-CD2 4.04Å; I45-W85 HydrophobicContact CG2-CE3 3.73Å; I45-W85 HydrophobicContact CG2-CG 4.48Å; I45-W85 HydrophobicContact CG2-CZ3 4.17Å; I45-V89 HydrophobicContact CD1-CG2 3.57Å; I45-T94 HydrophobicContact CB-CG2 4.46Å; I45-T94 HydrophobicContact CG2-CG2 4Å; I45-I98 HydrophobicContact CG2-CD1 4.15Å; I45-I98 HydrophobicContact CG2-CG1 4.27Å |
| 46 | T | 67.5 | Low | 69.6 | Low | 37 Ų | 37 | 39.6 Ų | 39.6 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -44.2 | -177.3 | -46 | 0 | 0 | 0 | 0 | 111.9 | D44 M49 T50 F93 | D44-T46 PolarHBondContact O-N 3.5Å; D44-T46 VanDerWaalsContact O-N 3.16Å; T46-M49 PolarHBondContact O-N 3.03Å; T46-T50 WeakPolarHBondContact O-CB 3.46Å; T46-T50 PolarHBondContact O-N 3.47Å; T46-T50 PolarHBondContact O-OG1 2.98Å; T46-F93 HydrophobicContact CG2-CD1 4.25Å; T46-F93 HydrophobicContact CG2-CE1 3.89Å |
| 47 | S | 68.8 | Low | 70.1 | Confident | 48 Ų | 48 | 40.6 Ų | 40.6 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.7 | -44 | 175.3 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | D44 M49 T50 V51 | D44-S47 PolarHBondContact O-N 2.85Å; D44-S47 VanDerWaalsContact O-N 3.08Å; D44-S47 VanDerWaalsContact OD2-CB 3.23Å; D44-S47 WeakPolarHBondContact OD2-CB 3.5Å; D44-S47 PolarHBondContact OD2-OG 3.18Å; S47-M49 VanDerWaalsContact C-N 3.34Å; S47-M49 PolarHBondContact O-N 3.29Å; S47-T50 PolarHBondContact O-N 2.9Å; S47-V51 WeakPolarHBondContact O-CB 3.02Å; S47-V51 VanDerWaalsContact O-CG2 3.29Å; S47-V51 WeakPolarHBondContact O-CG2 3.35Å; S47-V51 PolarHBondContact O-N 2.98Å |
| 48 | C | 70.2 | Confident | 70.5 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57 | -46.5 | 174.9 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | L5 F34 D44 I45 W52 W85 | L5-C48 HydrophobicContact CD1-CB 4.15Å; L5-C48 WeakPolarHBondContact CD1-SG 3.43Å; F34-C48 HydrophobicContact CE2-CB 4.42Å; D44-C48 PolarHBondContact O-N 2.95Å; D44-C48 PolarHBondContact O-SG 3.14Å; I45-C48 PolarHBondContact O-N 3.28Å; C48-W52 WeakPolarHBondContact O-CB 3.35Å; C48-W52 PolarHBondContact O-N 3.04Å; C48-W85 HydrophobicContact CB-CH2 4.14Å; C48-W85 HydrophobicContact CB-CZ3 4.37Å |
| 49 | M | 75.2 | Confident | 71.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 177.7 | -70.7 | -69 | 135.3 | 0 | 0 | 111.7 | I45 T46 S47 W52 L53 L82 W85 I98 V101 | I45-M49 HydrophobicContact CG2-CG 4.2Å; I45-M49 WeakPolarHBondContact O-CB 3.4Å; I45-M49 WeakPolarHBondContact O-CG 3.37Å; I45-M49 PolarHBondContact O-N 3.29Å; T46-M49 PolarHBondContact O-N 3.03Å; S47-M49 VanDerWaalsContact C-N 3.34Å; S47-M49 PolarHBondContact O-N 3.29Å; M49-W52 PolarHBondContact O-N 3.36Å; M49-L53 WeakPolarHBondContact O-CB 3.31Å; M49-L53 VanDerWaalsContact O-CG 3.23Å; M49-L53 WeakPolarHBondContact O-CG 3.13Å; M49-L53 PolarHBondContact O-N 3.49Å; M49-L82 HydrophobicContact CE-CD2 3.8Å; M49-W85 HydrophobicContact CE-CE3 3.37Å; M49-W85 HydrophobicContact CE-CZ3 3.3Å; M49-I98 HydrophobicContact CE-CG1 4.17Å; M49-I98 HydrophobicContact CG-CG1 4.21Å; M49-I98 HydrophobicContact SD-CB 4.38Å; M49-I98 HydrophobicContact SD-CG1 4Å; M49-V101 HydrophobicContact CB-CG2 4.47Å; M49-V101 HydrophobicContact SD-CB 3.73Å; M49-V101 HydrophobicContact SD-CG1 4.23Å; M49-V101 HydrophobicContact SD-CG2 3.3Å; M49-V101 WeakPolarHBondContact SD-CG2 3.43Å |
| 50 | T | 71.4 | Confident | 71.7 | Confident | 58 Ų | 58 | 47 Ų | 47 | 36% | 0.356 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.1 | -41.7 | -179.2 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | T46 S47 L53 N54 | T46-T50 WeakPolarHBondContact O-CB 3.46Å; T46-T50 PolarHBondContact O-N 3.47Å; T46-T50 PolarHBondContact O-OG1 2.98Å; S47-T50 PolarHBondContact O-N 2.9Å; T50-L53 PolarHBondContact O-N 3.43Å; T50-N54 WeakPolarHBondContact O-CB 3.43Å; T50-N54 PolarHBondContact O-N 3.49Å; T50-N54 PolarHBondContact O-ND2 3.07Å |
| 51 | V | 72.2 | Confident | 72.1 | Confident | 40 Ų | 40 | 44.6 Ų | 44.6 | 24% | 0.242 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 175 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | L5 L7 S47 N54 A55 | L5-V51 HydrophobicContact CD2-CG1 4.38Å; L7-V51 HydrophobicContact CD1-CG1 4.21Å; S47-V51 WeakPolarHBondContact O-CB 3.02Å; S47-V51 VanDerWaalsContact O-CG2 3.29Å; S47-V51 WeakPolarHBondContact O-CG2 3.35Å; S47-V51 PolarHBondContact O-N 2.98Å; V51-N54 PolarHBondContact O-N 3.39Å; V51-A55 WeakPolarHBondContact O-CB 3.42Å; V51-A55 PolarHBondContact O-N 3.35Å |
| 52 | W | 77.7 | Confident | 72.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | 177.6 | -168.9 | 92.1 | 0 | 0 | 0 | 112.1 | F29 F34 C48 M49 N54 A55 Y56 P68 V69 V101 K104 I105 | F29-W52 AromaticContact CZ-CD1 3.78Å; F34-W52 AromaticContact CD1-CD1 3.92Å; F34-W52 AromaticContact CE1-CD1 3.27Å; F34-W52 HydrophobicContact CE1-CG 4.16Å; F34-W52 AromaticContact CE1-NE1 3.82Å; F34-W52 HydrophobicContact CE2-CB 3.76Å; F34-W52 AromaticContact CE2-CD1 3.82Å; F34-W52 HydrophobicContact CE2-CG 4.12Å; F34-W52 HydrophobicContact CZ-CB 3.79Å; F34-W52 AromaticContact CZ-CD1 3.23Å; F34-W52 AromaticContact CZ-CG 3.68Å; F34-W52 HydrophobicContact CZ-CG 3.68Å; C48-W52 WeakPolarHBondContact O-CB 3.35Å; C48-W52 PolarHBondContact O-N 3.04Å; M49-W52 PolarHBondContact O-N 3.36Å; W52-N54 VanDerWaalsContact C-N 3.35Å; W52-N54 PolarHBondContact O-N 3.21Å; W52-A55 PolarHBondContact O-N 3.16Å; W52-Y56 AromaticContact CH2-CD2 3.82Å; W52-Y56 HydrophobicContact CH2-CD2 3.82Å; W52-Y56 HydrophobicContact CH2-CE2 4.47Å; W52-Y56 HydrophobicContact CH2-CG 4.37Å; W52-Y56 HydrophobicContact CZ2-CD2 4.45Å; W52-Y56 HydrophobicContact CZ3-CD2 4.14Å; W52-Y56 HydrophobicContact CZ3-CG 4.23Å; W52-Y56 WeakPolarHBondContact O-CB 3.31Å; W52-Y56 PolarHBondContact O-N 3.08Å; W52-P68 HydrophobicContact CZ2-CB 4.46Å; W52-P68 PolarHBondContact NE1-O 3.18Å; W52-V69 HydrophobicContact CH2-CG2 4.1Å; W52-V69 HydrophobicContact CZ2-CG2 3.89Å; W52-V101 HydrophobicContact CD2-CG1 3.92Å; W52-V101 HydrophobicContact CD2-CG2 4.26Å; W52-V101 HydrophobicContact CE3-CB 4.05Å; W52-V101 HydrophobicContact CE3-CG1 3.7Å; W52-V101 HydrophobicContact CE3-CG2 3.55Å; W52-V101 HydrophobicContact CH2-CG1 4.13Å; W52-V101 HydrophobicContact CZ2-CG1 4.34Å; W52-V101 HydrophobicContact CZ3-CB 4.13Å; W52-V101 HydrophobicContact CZ3-CG1 3.82Å; W52-V101 HydrophobicContact CZ3-CG2 4.02Å; W52-K104 HydrophobicContact CH2-CB 3.98Å; W52-K104 HydrophobicContact CZ3-CB 3.88Å; W52-K104 HydrophobicContact CZ3-CD 4.14Å; W52-I105 HydrophobicContact CH2-CD1 4.5Å; W52-I105 HydrophobicContact CH2-CG1 3.71Å; W52-I105 HydrophobicContact CZ2-CD1 4.28Å; W52-I105 HydrophobicContact CZ2-CG1 3.7Å |
| 53 | L | 78.6 | Confident | 72.9 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 14% | 0.141 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 177.8 | -73.6 | 170.9 | 0 | 0 | 0 | 111.7 | M49 T50 Y56 D57 V101 K104 | M49-L53 WeakPolarHBondContact O-CB 3.31Å; M49-L53 VanDerWaalsContact O-CG 3.23Å; M49-L53 WeakPolarHBondContact O-CG 3.13Å; M49-L53 PolarHBondContact O-N 3.49Å; T50-L53 PolarHBondContact O-N 3.43Å; L53-Y56 WeakPolarHBondContact O-CB 3.35Å; L53-Y56 PolarHBondContact O-N 2.71Å; L53-D57 PolarHBondContact O-N 3.33Å; L53-V101 HydrophobicContact CD1-CG2 4.36Å; L53-V101 HydrophobicContact CD2-CG2 3.8Å; L53-V101 HydrophobicContact CG-CG2 3.78Å; L53-K104 HydrophobicContact CD2-CD 3.55Å |
| 54 | N | 75.7 | Confident | 73.5 | Confident | 76 Ų | 76 | 41.5 Ų | 41.5 | 41% | 0.406 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.6 | -40.8 | 176.6 | -73.3 | -24 | 0 | 0 | 0 | 112.4 | T50 V51 W52 Y56 D57 A58 | T50-N54 WeakPolarHBondContact O-CB 3.43Å; T50-N54 PolarHBondContact O-N 3.49Å; T50-N54 PolarHBondContact O-ND2 3.07Å; V51-N54 PolarHBondContact O-N 3.39Å; W52-N54 VanDerWaalsContact C-N 3.35Å; W52-N54 PolarHBondContact O-N 3.21Å; N54-Y56 VanDerWaalsContact C-N 3.28Å; N54-Y56 PolarHBondContact O-N 3.07Å; N54-D57 PolarHBondContact O-N 3.21Å; N54-A58 WeakPolarHBondContact O-CB 3.32Å; N54-A58 PolarHBondContact O-N 2.86Å |
| 55 | A | 74.8 | Confident | 73.6 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.033 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F29 V51 W52 A58 Y59 P68 | F29-A55 HydrophobicContact CB-CB 4.19Å; F29-A55 HydrophobicContact CD2-CB 3.59Å; F29-A55 HydrophobicContact CE2-CB 4.19Å; F29-A55 HydrophobicContact CG-CB 3.9Å; V51-A55 WeakPolarHBondContact O-CB 3.42Å; V51-A55 PolarHBondContact O-N 3.35Å; W52-A55 PolarHBondContact O-N 3.16Å; A55-A58 PolarHBondContact O-N 3.39Å; A55-Y59 WeakPolarHBondContact O-CB 3.41Å; A55-Y59 PolarHBondContact O-N 3.49Å; A55-P68 HydrophobicContact CB-CB 4.46Å; A55-P68 HydrophobicContact CB-CG 3.86Å |
| 56 | Y | 79.2 | Confident | 73.6 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -50.8 | 175.6 | -177 | -82.5 | 0 | 0 | 0 | 112 | W52 L53 N54 A58 Y59 E60 V69 K104 C108 | W52-Y56 AromaticContact CH2-CD2 3.82Å; W52-Y56 HydrophobicContact CH2-CD2 3.82Å; W52-Y56 HydrophobicContact CH2-CE2 4.47Å; W52-Y56 HydrophobicContact CH2-CG 4.37Å; W52-Y56 HydrophobicContact CZ2-CD2 4.45Å; W52-Y56 HydrophobicContact CZ3-CD2 4.14Å; W52-Y56 HydrophobicContact CZ3-CG 4.23Å; W52-Y56 WeakPolarHBondContact O-CB 3.31Å; W52-Y56 PolarHBondContact O-N 3.08Å; L53-Y56 WeakPolarHBondContact O-CB 3.35Å; L53-Y56 PolarHBondContact O-N 2.71Å; N54-Y56 VanDerWaalsContact C-N 3.28Å; N54-Y56 PolarHBondContact O-N 3.07Å; Y56-A58 PolarHBondContact O-N 3.21Å; Y56-Y59 WeakPolarHBondContact O-CB 3.19Å; Y56-Y59 PolarHBondContact O-N 3.33Å; Y56-Y59 VanDerWaalsContact O-N 3.09Å; Y56-E60 HydrophobicContact CE1-CB 4.33Å; Y56-E60 PolarHBondContact O-N 2.89Å; Y56-V69 HydrophobicContact CD2-CG2 3.9Å; Y56-V69 HydrophobicContact CE2-CG2 3.74Å; Y56-K104 HydrophobicContact CD1-CD 3.57Å; Y56-K104 HydrophobicContact CD1-CG 4.28Å; Y56-K104 HydrophobicContact CD2-CB 4.43Å; Y56-K104 HydrophobicContact CE1-CB 4.3Å; Y56-K104 HydrophobicContact CE1-CD 3.81Å; Y56-K104 HydrophobicContact CE1-CG 4.03Å; Y56-K104 HydrophobicContact CE2-CB 4.15Å; Y56-K104 HydrophobicContact CG-CD 3.99Å; Y56-C108 HydrophobicContact CE2-CB 4.4Å; Y56-C108 WeakPolarHBondContact CE2-SG 3.38Å; Y56-C108 PolarHBondContact OH-SG 3.27Å |
| 57 | D | 76.3 | Confident | 74.1 | Confident | 72 Ų | 72 | 50.6 Ų | 50.6 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -33 | -179 | -69.4 | -20.4 | 0 | 0 | 0 | 111.6 | L53 N54 A61 K104 | L53-D57 PolarHBondContact O-N 3.33Å; N54-D57 PolarHBondContact O-N 3.21Å; D57-A61 VanDerWaalsContact O-CB 3.29Å; D57-A61 WeakPolarHBondContact O-CB 3.35Å; D57-A61 PolarHBondContact O-N 2.87Å; D57-K104 VanDerWaalsContact CG-NZ 3.35Å; D57-K104 IonicContact OD1-NZ 3.23Å; D57-K104 PolarHBondContact OD1-NZ 3.33Å; D57-K104 IonicContact OD2-NZ 3.06Å; D57-K104 PolarHBondContact OD2-NZ 2.87Å |
| 58 | A | 73.9 | Confident | 74.5 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75.3 | -37 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S26 N54 A55 Y56 A61 G62 K63 S64 | S26-A58 WeakPolarHBondContact OG-CB 3.34Å; N54-A58 WeakPolarHBondContact O-CB 3.32Å; N54-A58 PolarHBondContact O-N 2.86Å; A55-A58 PolarHBondContact O-N 3.39Å; Y56-A58 PolarHBondContact O-N 3.21Å; A58-A61 PolarHBondContact O-N 3.39Å; A58-G62 PolarHBondContact O-N 3.5Å; A58-K63 HydrophobicContact CB-CB 4.38Å; A58-K63 WeakPolarHBondContact O-CA 3.37Å; A58-K63 WeakPolarHBondContact O-CB 3.24Å; A58-K63 PolarHBondContact O-N 2.93Å; A58-S64 PolarHBondContact O-N 3.41Å |
| 59 | Y | 75.4 | Confident | 75 | Confident | 78 Ų | 78 | 48.1 Ų | 48.1 | 31% | 0.306 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 169.4 | 173.4 | -102.4 | 0 | 0 | 0 | 110.9 | A55 Y56 A61 G62 S64 D66 N67 | A55-Y59 WeakPolarHBondContact O-CB 3.41Å; A55-Y59 PolarHBondContact O-N 3.49Å; Y56-Y59 WeakPolarHBondContact O-CB 3.19Å; Y56-Y59 PolarHBondContact O-N 3.33Å; Y56-Y59 VanDerWaalsContact O-N 3.09Å; Y59-A61 VanDerWaalsContact C-N 3.32Å; Y59-A61 PolarHBondContact O-N 3.33Å; Y59-G62 WeakPolarHBondContact O-CA 3.18Å; Y59-G62 PolarHBondContact O-N 2.95Å; Y59-S64 WeakPolarHBondContact CD2-O 3.49Å; Y59-D66 WeakPolarHBondContact CD2-O 3.44Å; Y59-N67 HydrophobicContact CD2-CB 4.11Å; Y59-N67 HydrophobicContact CE1-CB 4.09Å; Y59-N67 HydrophobicContact CE2-CB 3.59Å; Y59-N67 PolarHBondContact OH-ND2 3.02Å |
| 60 | E | 74.4 | Confident | 75.1 | Confident | 113 Ų | 113 | 49.2 Ų | 49.2 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.1 | -36 | 178.8 | -168.7 | 176.5 | -154.1 | 0 | 0 | 112.4 | Y56 G62 | Y56-E60 HydrophobicContact CE1-CB 4.33Å; Y56-E60 PolarHBondContact O-N 2.89Å; E60-G62 PolarHBondContact O-N 3.49Å; E60-G62 VanDerWaalsContact O-N 3.16Å |
| 61 | A | 76.1 | Confident | 75.3 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 51% | 0.512 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 2.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D57 A58 Y59 K63 | D57-A61 VanDerWaalsContact O-CB 3.29Å; D57-A61 WeakPolarHBondContact O-CB 3.35Å; D57-A61 PolarHBondContact O-N 2.87Å; A58-A61 PolarHBondContact O-N 3.39Å; Y59-A61 VanDerWaalsContact C-N 3.32Å; Y59-A61 PolarHBondContact O-N 3.33Å; A61-K63 HydrophobicContact CB-CD 4.1Å; A61-K63 HydrophobicContact CB-CG 4.08Å; A61-K63 PolarHBondContact O-N 2.97Å |
| 62 | G | 72.9 | Confident | 75.7 | Confident | 66 Ų | 66 | 46.8 Ų | 46.8 | 68% | 0.68 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 18.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A58 Y59 E60 | A58-G62 PolarHBondContact O-N 3.5Å; Y59-G62 WeakPolarHBondContact O-CA 3.18Å; Y59-G62 PolarHBondContact O-N 2.95Å; E60-G62 PolarHBondContact O-N 3.49Å; E60-G62 VanDerWaalsContact O-N 3.16Å |
| 63 | K | 72.2 | Confident | 75.8 | Confident | 106 Ų | 106 | 46.9 Ų | 46.9 | 46% | 0.461 | 26% | 0.259 | S | S | . | . | trans | -89.7 | -10.4 | -177.8 | -63.9 | 176.5 | -179.1 | 168.9 | 0 | 113.5 | V23 K27 A58 A61 | V23-K63 HydrophobicContact CG1-CD 4.33Å; K27-K63 WeakPolarHBondContact CE-O 3.37Å; K27-K63 VanDerWaalsContact CG-O 3.25Å; K27-K63 WeakPolarHBondContact CG-O 3.43Å; A58-K63 HydrophobicContact CB-CB 4.38Å; A58-K63 WeakPolarHBondContact O-CA 3.37Å; A58-K63 WeakPolarHBondContact O-CB 3.24Å; A58-K63 PolarHBondContact O-N 2.93Å; A61-K63 HydrophobicContact CB-CD 4.1Å; A61-K63 HydrophobicContact CB-CG 4.08Å; A61-K63 PolarHBondContact O-N 2.97Å | ||
| 64 | S | 72.9 | Confident | 75.6 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 8% | 0.077 | 28% | 0.281 | C | S | . | . | trans | -135 | 143.3 | 176.9 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | S26 A58 Y59 D66 | S26-S64 WeakPolarHBondContact O-CB 3.43Å; S26-S64 PolarHBondContact O-OG 3.04Å; A58-S64 PolarHBondContact O-N 3.41Å; Y59-S64 WeakPolarHBondContact CD2-O 3.49Å; S64-D66 PolarHBondContact OG-N 3Å; S64-D66 VanDerWaalsContact OG-N 3.12Å | ||
| 65 | E | 72.2 | Confident | 75.5 | Confident | 192 Ų | 192 | 50.1 Ų | 50.1 | 90% | 0.897 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -83.2 | -23.1 | 170.2 | -65.4 | -176.3 | 178.9 | 0 | 0 | 111.7 | N67 | E65-N67 PolarHBondContact O-N 3.47Š|
| 66 | D | 68.5 | Low | 75.5 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 31% | 0.31 | 28% | 0.277 | S | S | . | . | trans | -76.6 | 113.4 | -178.1 | -60.8 | -35 | 0 | 0 | 0 | 110.1 | F29 Y59 S64 P68 | F29-D66 HydrophobicContact CB-CB 4.2Å; F29-D66 PolarHBondContact N-OD2 2.93Å; Y59-D66 WeakPolarHBondContact CD2-O 3.44Å; S64-D66 PolarHBondContact OG-N 3Å; S64-D66 VanDerWaalsContact OG-N 3.12Å; D66-P68 WeakPolarHBondContact O-CD 3.25Å | ||
| 67 | N | 78.7 | Confident | 75.1 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | trans | -81.6 | 110.2 | 175.5 | -178.5 | -16.1 | 0 | 0 | 0 | 110.3 | Y59 E65 V69 A70 E71 | Y59-N67 HydrophobicContact CD2-CB 4.11Å; Y59-N67 HydrophobicContact CE1-CB 4.09Å; Y59-N67 HydrophobicContact CE2-CB 3.59Å; Y59-N67 PolarHBondContact OH-ND2 3.02Å; E65-N67 PolarHBondContact O-N 3.47Å; N67-V69 PolarHBondContact O-N 3.03Å; N67-V69 VanDerWaalsContact OD1-CB 3.31Å; N67-V69 WeakPolarHBondContact OD1-CB 3.26Å; N67-V69 PolarHBondContact OD1-N 3.5Å; N67-A70 HydrophobicContact CB-CB 3.74Å; N67-A70 WeakPolarHBondContact O-CB 3.17Å; N67-A70 PolarHBondContact O-N 3.14Å; N67-A70 PolarHBondContact OD1-N 2.9Å; N67-E71 PolarHBondContact O-N 2.75Å | ||
| 68 | P | 75.9 | Confident | 75 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.6 | -22.9 | -176.5 | -21.2 | 36.1 | 0 | 0 | 0 | 113.7 | F29 W52 A55 D66 F72 | F29-P68 HydrophobicContact CD1-CB 3.74Å; F29-P68 HydrophobicContact CD1-CG 3.98Å; F29-P68 VanDerWaalsContact CE1-CA 3.42Å; F29-P68 HydrophobicContact CE1-CB 3.53Å; F29-P68 HydrophobicContact CE1-CG 4.29Å; F29-P68 HydrophobicContact CG-CB 4.45Å; F29-P68 HydrophobicContact CG-CG 4.41Å; F29-P68 HydrophobicContact CZ-CB 4.03Å; W52-P68 HydrophobicContact CZ2-CB 4.46Å; W52-P68 PolarHBondContact NE1-O 3.18Å; A55-P68 HydrophobicContact CB-CB 4.46Å; A55-P68 HydrophobicContact CB-CG 3.86Å; D66-P68 WeakPolarHBondContact O-CD 3.25Å; P68-F72 VanDerWaalsContact O-CB 3.3Å; P68-F72 WeakPolarHBondContact O-CB 3.27Å; P68-F72 PolarHBondContact O-N 3.1Å |
| 69 | V | 80.4 | Confident | 75 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -75.2 | -41.7 | 174.3 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | W52 Y56 N67 F72 F73 C108 | W52-V69 HydrophobicContact CH2-CG2 4.1Å; W52-V69 HydrophobicContact CZ2-CG2 3.89Å; Y56-V69 HydrophobicContact CD2-CG2 3.9Å; Y56-V69 HydrophobicContact CE2-CG2 3.74Å; N67-V69 PolarHBondContact O-N 3.03Å; N67-V69 VanDerWaalsContact OD1-CB 3.31Å; N67-V69 WeakPolarHBondContact OD1-CB 3.26Å; N67-V69 PolarHBondContact OD1-N 3.5Å; V69-F72 PolarHBondContact O-N 3.01Å; V69-F73 HydrophobicContact CG1-CD2 3.81Å; V69-F73 HydrophobicContact CG1-CE2 3.59Å; V69-F73 WeakPolarHBondContact O-CD2 2.91Å; V69-F73 PolarHBondContact O-N 3.21Å; V69-C108 HydrophobicContact CB-CB 4.34Å; V69-C108 HydrophobicContact CG1-CB 4.11Å; V69-C108 HydrophobicContact CG2-CB 3.83Å |
| 70 | A | 77.8 | Confident | 75 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 19% | 0.19 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | N67 F73 V74 F116 | N67-A70 HydrophobicContact CB-CB 3.74Å; N67-A70 WeakPolarHBondContact O-CB 3.17Å; N67-A70 PolarHBondContact O-N 3.14Å; N67-A70 PolarHBondContact OD1-N 2.9Å; A70-F73 CarbonylContact O-C 3.1Å; A70-F73 PolarHBondContact O-N 3.14Å; A70-V74 WeakPolarHBondContact O-CG2 3.24Å; A70-V74 PolarHBondContact O-N 3.48Å; A70-F116 HydrophobicContact CB-CE1 4.2Å; A70-F116 HydrophobicContact CB-CE2 3.78Å; A70-F116 HydrophobicContact CB-CZ 3.34Å |
| 71 | E | 76.1 | Confident | 74.9 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 19% | 0.192 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 176.4 | -77.3 | -151.9 | 131 | 0 | 0 | 113.3 | F29 G31 N67 F73 V74 H75 | F29-E71 HydrophobicContact CD1-CB 4.37Å; F29-E71 HydrophobicContact CD1-CG 4.48Å; F29-E71 WeakPolarHBondContact CD1-OE2 3.23Å; F29-E71 HydrophobicContact CE1-CB 3.89Å; F29-E71 HydrophobicContact CE1-CG 4.47Å; F29-E71 WeakPolarHBondContact CE1-OE2 3.23Å; G31-E71 WeakPolarHBondContact CA-OE2 3.27Å; G31-E71 PolarHBondContact N-OE1 3.21Å; G31-E71 PolarHBondContact N-OE2 3.36Å; N67-E71 PolarHBondContact O-N 2.75Å; E71-F73 VanDerWaalsContact C-N 3.27Å; E71-F73 PolarHBondContact O-N 2.99Å; E71-V74 WeakPolarHBondContact O-CB 3.37Å; E71-V74 PolarHBondContact O-N 3.38Å; E71-V74 VanDerWaalsContact O-N 3.13Å; E71-H75 PolarHBondContact O-CD2 2.95Å; E71-H75 VanDerWaalsContact O-CD2 3.22Å; E71-H75 PolarHBondContact O-N 3.3Å |
| 72 | F | 79.6 | Confident | 74.8 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.2 | -46.8 | 171.7 | 172.9 | -97.8 | 0 | 0 | 0 | 111.1 | F34 I38 P68 V69 H75 S76 L82 I105 | F34-F72 HydrophobicContact CE1-CD2 4.26Å; I38-F72 HydrophobicContact CD1-CD2 4.42Å; I38-F72 HydrophobicContact CD1-CE2 4.44Å; P68-F72 VanDerWaalsContact O-CB 3.3Å; P68-F72 WeakPolarHBondContact O-CB 3.27Å; P68-F72 PolarHBondContact O-N 3.1Å; V69-F72 PolarHBondContact O-N 3.01Å; F72-H75 PolarHBondContact O-N 2.94Å; F72-S76 WeakPolarHBondContact O-CB 3.38Å; F72-S76 PolarHBondContact O-N 3.34Å; F72-L82 HydrophobicContact CE1-CD1 4.44Å; F72-L82 HydrophobicContact CE2-CD1 3.76Å; F72-L82 HydrophobicContact CE2-CG 4.17Å; F72-L82 HydrophobicContact CZ-CD1 3.53Å; F72-L82 HydrophobicContact CZ-CG 4.23Å; F72-I105 HydrophobicContact CD1-CD1 4.11Å; F72-I105 HydrophobicContact CE1-CD1 4.04Å; F72-I105 HydrophobicContact CE2-CD1 4.49Å; F72-I105 HydrophobicContact CG-CD1 4.37Å; F72-I105 HydrophobicContact CZ-CD1 4.23Å |
| 73 | F | 79.6 | Confident | 74.8 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.6 | -24.8 | 178.3 | -75.4 | -61 | 0 | 0 | 0 | 114.1 | V69 A70 E71 H75 I105 F116 R119 A120 V123 | V69-F73 HydrophobicContact CG1-CD2 3.81Å; V69-F73 HydrophobicContact CG1-CE2 3.59Å; V69-F73 WeakPolarHBondContact O-CD2 2.91Å; V69-F73 PolarHBondContact O-N 3.21Å; A70-F73 CarbonylContact O-C 3.1Å; A70-F73 PolarHBondContact O-N 3.14Å; E71-F73 VanDerWaalsContact C-N 3.27Å; E71-F73 PolarHBondContact O-N 2.99Å; F73-H75 PolarHBondContact O-N 2.6Å; F73-I105 HydrophobicContact CE2-CG2 4.02Å; F73-I105 HydrophobicContact CZ-CG2 3.78Å; F73-F116 HydrophobicContact CB-CD1 3.46Å; F73-F116 VanDerWaalsContact CB-CD1 3.46Å; F73-F116 HydrophobicContact CB-CE1 3.85Å; F73-F116 HydrophobicContact CB-CG 4.31Å; F73-F116 HydrophobicContact CD2-CB 3.35Å; F73-F116 AromaticContact CD2-CD1 3.41Å; F73-F116 HydrophobicContact CD2-CD1 3.41Å; F73-F116 VanDerWaalsContact CD2-CD1 3.41Å; F73-F116 HydrophobicContact CD2-CD2 4.16Å; F73-F116 HydrophobicContact CD2-CE1 4.29Å; F73-F116 AromaticContact CD2-CG 3.35Å; F73-F116 HydrophobicContact CD2-CG 3.35Å; F73-F116 HydrophobicContact CE2-CB 3.41Å; F73-F116 VanDerWaalsContact CE2-CB 3.41Å; F73-F116 HydrophobicContact CE2-CD1 4.36Å; F73-F116 AromaticContact CE2-CG 3.91Å; F73-F116 HydrophobicContact CE2-CG 3.91Å; F73-F116 HydrophobicContact CG-CB 4.06Å; F73-F116 AromaticContact CG-CD1 3.63Å; F73-F116 HydrophobicContact CG-CD1 3.63Å; F73-F116 HydrophobicContact CG-CE1 4.45Å; F73-F116 HydrophobicContact CG-CG 4.03Å; F73-F116 HydrophobicContact CZ-CB 4.15Å; F73-R119 HydrophobicContact CD1-CB 3.37Å; F73-R119 HydrophobicContact CD1-CG 4.22Å; F73-R119 HydrophobicContact CE1-CB 3.38Å; F73-R119 HydrophobicContact CG-CB 4.32Å; F73-R119 HydrophobicContact CZ-CB 4.32Å; F73-R119 PolarHBondContact O-NH1 3.19Å; F73-A120 HydrophobicContact CZ-CB 3.85Å; F73-V123 HydrophobicContact CE1-CG2 4.29Å |
| 74 | V | 75.8 | Confident | 74.8 | Confident | 100 Ų | 100 | 44.8 Ų | 44.8 | 61% | 0.606 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -59.1 | -39.8 | 172.1 | 167.8 | 0 | 0 | 0 | 0 | 110.2 | A70 E71 | A70-V74 WeakPolarHBondContact O-CG2 3.24Å; A70-V74 PolarHBondContact O-N 3.48Å; E71-V74 WeakPolarHBondContact O-CB 3.37Å; E71-V74 PolarHBondContact O-N 3.38Å; E71-V74 VanDerWaalsContact O-N 3.13Å |
| 75 | H | 72.3 | Confident | 74.8 | Confident | 71 Ų | 71 | 44.5 Ų | 44.5 | 33% | 0.329 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -103.6 | -30.6 | -173 | -58.8 | -71.1 | 0 | 0 | 0 | 114.8 | G31 S32 H35 E71 F72 F73 | G31-H75 PolarHBondContact O-CD2 3.47Å; S32-H75 WeakPolarHBondContact CA-NE2 3.38Å; S32-H75 PolarHBondContact N-NE2 3.28Å; H35-H75 HydrophobicContact CB-CB 3.28Å; H35-H75 WeakPolarHBondContact CD2-CB 3.36Å; H35-H75 PolarHBondContact CD2-O 2.65Å; H35-H75 PolarHBondContact CE1-O 3.28Å; H35-H75 VanDerWaalsContact CE1-O 3.31Å; H35-H75 PolarHBondContact NE2-O 3.11Å; E71-H75 PolarHBondContact O-CD2 2.95Å; E71-H75 VanDerWaalsContact O-CD2 3.22Å; E71-H75 PolarHBondContact O-N 3.3Å; F72-H75 PolarHBondContact O-N 2.94Å; F73-H75 PolarHBondContact O-N 2.6Å |
| 76 | S | 75 | Confident | 74.7 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | trans | -107.5 | 123.8 | 177.8 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | H35 F72 G79 | H35-S76 PolarHBondContact CD2-N 3.28Å; H35-S76 WeakPolarHBondContact NE2-CA 3.28Å; H35-S76 PolarHBondContact NE2-N 3.23Å; F72-S76 WeakPolarHBondContact O-CB 3.38Å; F72-S76 PolarHBondContact O-N 3.34Å; S76-G79 WeakPolarHBondContact OG-CA 3.46Å; S76-G79 PolarHBondContact OG-N 3.39Å | ||
| 77 | Y | 72.3 | Confident | 74.7 | Confident | 131 Ų | 131 | 38.8 Ų | 38.8 | 51% | 0.514 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -87.6 | -38.5 | -175.5 | -174.5 | -114.4 | 0 | 0 | 0 | 113.8 | R122 | Y77-R122 PolarHBondContact OH-NH1 3.26Å; Y77-R122 PolarHBondContact OH-NH2 3.48Å |
| 78 | D | 73.7 | Confident | 74.3 | Confident | 45 Ų | 45 | 43.9 Ų | 43.9 | 24% | 0.241 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -128.7 | -3.3 | -175.1 | 66 | -7.8 | 0 | 0 | 0 | 114.5 | E80 V123 Q126 | D78-E80 VanDerWaalsContact C-N 3.29Å; D78-E80 PolarHBondContact O-N 2.93Å; D78-E80 PolarHBondContact OD1-N 3.44Å; D78-V123 VanDerWaalsContact O-CA 3.29Å; D78-V123 WeakPolarHBondContact O-CA 3.43Å; D78-V123 WeakPolarHBondContact O-CG2 3.2Å; D78-Q126 PolarHBondContact OD2-NE2 2.95Å |
| 79 | G | 73.8 | Confident | 74 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | trans | 68.7 | 18.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S76 E81 L82 | S76-G79 WeakPolarHBondContact OG-CA 3.46Å; S76-G79 PolarHBondContact OG-N 3.39Å; G79-E81 PolarHBondContact O-N 3.31Å; G79-E81 VanDerWaalsContact O-N 3.09Å; G79-L82 PolarHBondContact O-N 2.96Å | ||
| 80 | E | 76 | Confident | 73.3 | Confident | 78 Ų | 78 | 54 Ų | 54 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -51.5 | -35.6 | -179.1 | -168.3 | -174.8 | 149 | 0 | 0 | 113.1 | D78 L82 V83 K84 | D78-E80 VanDerWaalsContact C-N 3.29Å; D78-E80 PolarHBondContact O-N 2.93Å; D78-E80 PolarHBondContact OD1-N 3.44Å; E80-L82 VanDerWaalsContact C-N 3.35Å; E80-L82 PolarHBondContact O-N 2.81Å; E80-V83 PolarHBondContact O-N 3.47Å; E80-K84 HydrophobicContact CG-CD 4.47Å; E80-K84 WeakPolarHBondContact O-CG 3.48Å; E80-K84 PolarHBondContact O-N 3.12Å; E80-K84 WeakPolarHBondContact OE1-CE 3.41Å; E80-K84 IonicContact OE1-NZ 3.24Å; E80-K84 PolarHBondContact OE1-NZ 2.94Å |
| 81 | E | 72.3 | Confident | 72.9 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 23% | 0.229 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.5 | -34.2 | -179.9 | -55.9 | -53.3 | 131 | 0 | 0 | 113.8 | I38 G79 K84 W85 | I38-E81 HydrophobicContact CG2-CB 3.25Å; I38-E81 HydrophobicContact CG2-CG 3.81Å; G79-E81 PolarHBondContact O-N 3.31Å; G79-E81 VanDerWaalsContact O-N 3.09Å; E81-K84 IonicContact OE1-NZ 2.83Å; E81-K84 PolarHBondContact OE1-NZ 3.47Å; E81-W85 PolarHBondContact O-N 3.21Å |
| 82 | L | 73 | Confident | 72.5 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.2 | -35.7 | 175.7 | -67.9 | 175.3 | 0 | 0 | 0 | 111.6 | M49 F72 G79 E80 L86 I102 I105 | M49-L82 HydrophobicContact CE-CD2 3.8Å; F72-L82 HydrophobicContact CE1-CD1 4.44Å; F72-L82 HydrophobicContact CE2-CD1 3.76Å; F72-L82 HydrophobicContact CE2-CG 4.17Å; F72-L82 HydrophobicContact CZ-CD1 3.53Å; F72-L82 HydrophobicContact CZ-CG 4.23Å; G79-L82 PolarHBondContact O-N 2.96Å; E80-L82 VanDerWaalsContact C-N 3.35Å; E80-L82 PolarHBondContact O-N 2.81Å; L82-L86 PolarHBondContact O-N 3.41Å; L82-L86 VanDerWaalsContact O-N 3.14Å; L82-I102 HydrophobicContact CD1-CG1 4.28Å; L82-I105 HydrophobicContact CD1-CD1 3.74Å |
| 83 | V | 72.1 | Confident | 72.2 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.2 | -41 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | E80 W85 L86 E87 Q126 R130 | E80-V83 PolarHBondContact O-N 3.47Å; V83-W85 VanDerWaalsContact C-N 3.3Å; V83-W85 PolarHBondContact O-N 3.33Å; V83-L86 WeakPolarHBondContact O-CB 3.16Å; V83-L86 PolarHBondContact O-N 3.18Å; V83-E87 PolarHBondContact O-N 3.46Å; V83-E87 VanDerWaalsContact O-N 3.15Å; V83-Q126 HydrophobicContact CG2-CB 4.29Å; V83-R130 HydrophobicContact CG1-CG 4.34Å |
| 84 | K | 72.7 | Confident | 71.7 | Confident | 80 Ų | 80 | 66.9 Ų | 66.9 | 35% | 0.348 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 171.5 | -73.7 | 174 | -177.2 | 154.9 | 0 | 112.1 | E80 E81 E87 R88 | E80-K84 HydrophobicContact CG-CD 4.47Å; E80-K84 WeakPolarHBondContact O-CG 3.48Å; E80-K84 PolarHBondContact O-N 3.12Å; E80-K84 WeakPolarHBondContact OE1-CE 3.41Å; E80-K84 IonicContact OE1-NZ 3.24Å; E80-K84 PolarHBondContact OE1-NZ 2.94Å; E81-K84 IonicContact OE1-NZ 2.83Å; E81-K84 PolarHBondContact OE1-NZ 3.47Å; K84-E87 PolarHBondContact O-N 2.96Å; K84-R88 PolarHBondContact O-N 3.33Å |
| 85 | W | 72.2 | Confident | 71.6 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 2% | 0.019 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66 | -36.3 | 175.4 | -76.9 | 3.5 | 0 | 0 | 0 | 113.1 | I38 A43 I45 C48 M49 E81 V83 E87 R88 V89 I98 | I38-W85 HydrophobicContact CB-CH2 4.22Å; I38-W85 HydrophobicContact CB-CZ2 4.4Å; I38-W85 HydrophobicContact CG1-CH2 3.87Å; I38-W85 HydrophobicContact CG1-CZ3 4.26Å; I38-W85 HydrophobicContact CG2-CH2 4.39Å; I38-W85 HydrophobicContact CG2-CZ2 4.35Å; I38-W85 WeakPolarHBondContact O-CZ2 3.27Å; A43-W85 HydrophobicContact CB-CZ2 4.37Å; I45-W85 HydrophobicContact CB-CE3 4.48Å; I45-W85 HydrophobicContact CD1-CB 4.25Å; I45-W85 HydrophobicContact CD1-CD2 4.05Å; I45-W85 HydrophobicContact CD1-CG 3.81Å; I45-W85 HydrophobicContact CG1-CD2 3.87Å; I45-W85 HydrophobicContact CG1-CE3 4.28Å; I45-W85 HydrophobicContact CG1-CG 4.2Å; I45-W85 HydrophobicContact CG1-CZ2 4.19Å; I45-W85 HydrophobicContact CG2-CD2 4.04Å; I45-W85 HydrophobicContact CG2-CE3 3.73Å; I45-W85 HydrophobicContact CG2-CG 4.48Å; I45-W85 HydrophobicContact CG2-CZ3 4.17Å; C48-W85 HydrophobicContact CB-CH2 4.14Å; C48-W85 HydrophobicContact CB-CZ3 4.37Å; M49-W85 HydrophobicContact CE-CE3 3.37Å; M49-W85 HydrophobicContact CE-CZ3 3.3Å; E81-W85 PolarHBondContact O-N 3.21Å; V83-W85 VanDerWaalsContact C-N 3.3Å; V83-W85 PolarHBondContact O-N 3.33Å; W85-E87 VanDerWaalsContact C-N 3.27Å; W85-E87 PolarHBondContact O-N 3.48Å; W85-R88 PolarHBondContact O-N 3.46Å; W85-V89 WeakPolarHBondContact O-CB 3.47Å; W85-V89 VanDerWaalsContact O-CG2 3.26Å; W85-V89 WeakPolarHBondContact O-CG2 3.37Å; W85-V89 PolarHBondContact O-N 2.76Å; W85-I98 HydrophobicContact CB-CD1 4.08Å |
| 86 | L | 70.6 | Confident | 71.8 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -33.2 | 171.8 | -76.3 | 169.6 | 0 | 0 | 0 | 112.8 | L82 V83 V95 I98 L99 I102 F127 | L82-L86 PolarHBondContact O-N 3.41Å; L82-L86 VanDerWaalsContact O-N 3.14Å; V83-L86 WeakPolarHBondContact O-CB 3.16Å; V83-L86 PolarHBondContact O-N 3.18Å; L86-V95 HydrophobicContact CD2-CG1 3.71Å; L86-I98 HydrophobicContact CD1-CG2 4.26Å; L86-I98 HydrophobicContact CD2-CB 3.84Å; L86-I98 HydrophobicContact CD2-CD1 4.24Å; L86-I98 HydrophobicContact CD2-CG2 3.62Å; L86-I98 HydrophobicContact CG-CB 4.35Å; L86-I98 HydrophobicContact CG-CG2 3.6Å; L86-L99 HydrophobicContact CD2-CD2 4.38Å; L86-L99 HydrophobicContact CD2-CG 4.38Å; L86-I102 HydrophobicContact CD1-CD1 3.66Å; L86-I102 HydrophobicContact CG-CD1 4.47Å; L86-F127 HydrophobicContact CD1-CD2 3.82Å; L86-F127 HydrophobicContact CD1-CE2 3.61Å |
| 87 | E | 69.1 | Low | 71.8 | Confident | 110 Ų | 110 | 62.2 Ų | 62.2 | 51% | 0.514 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -77 | -31.8 | 175.6 | -68.9 | 179.4 | 178.1 | 0 | 0 | 112.4 | V83 K84 W85 R130 | V83-E87 PolarHBondContact O-N 3.46Å; V83-E87 VanDerWaalsContact O-N 3.15Å; K84-E87 PolarHBondContact O-N 2.96Å; W85-E87 VanDerWaalsContact C-N 3.27Å; W85-E87 PolarHBondContact O-N 3.48Å; E87-R130 WeakPolarHBondContact OE1-CD 3.44Å; E87-R130 IonicContact OE1-CZ 2.78Å; E87-R130 IonicContact OE1-NE 2.96Å; E87-R130 PolarHBondContact OE1-NE 3.22Å; E87-R130 IonicContact OE1-NH2 2.8Å |
| 88 | R | 70.8 | Confident | 72.1 | Confident | 140 Ų | 140 | 56 Ų | 56 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -77.2 | -18.1 | 179.5 | -87.4 | -175.9 | 168.7 | 171 | 0.8 | 114.5 | E41 K84 W85 | E41-R88 IonicContact OE1-CZ 3.33Å; E41-R88 IonicContact OE1-NH2 3.74Å; E41-R88 PolarHBondContact OE1-NH2 2.96Å; K84-R88 PolarHBondContact O-N 3.33Å; W85-R88 PolarHBondContact O-N 3.46Å |
| 89 | V | 68.3 | Low | 72.4 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | trans | -118.2 | 119.9 | -168.8 | -176 | 0 | 0 | 0 | 0 | 111.6 | I45 W85 E91 T94 V95 I98 | I45-V89 HydrophobicContact CD1-CG2 3.57Å; W85-V89 WeakPolarHBondContact O-CB 3.47Å; W85-V89 VanDerWaalsContact O-CG2 3.26Å; W85-V89 WeakPolarHBondContact O-CG2 3.37Å; W85-V89 PolarHBondContact O-N 2.76Å; V89-E91 HydrophobicContact CG1-CB 4.21Å; V89-T94 VanDerWaalsContact CG1-CB 3.47Å; V89-T94 HydrophobicContact CG1-CG2 3.65Å; V89-T94 HydrophobicContact CG2-CG2 4.34Å; V89-V95 HydrophobicContact CB-CG2 4.42Å; V89-V95 HydrophobicContact CG1-CG2 4.19Å; V89-V95 WeakPolarHBondContact O-CG2 3.47Å; V89-I98 HydrophobicContact CG2-CD1 4.45Å | ||
| 90 | E | 66.1 | Low | 72.8 | Confident | 192 Ų | 192 | 54.6 Ų | 54.6 | 90% | 0.897 | 26% | 0.26 | S | S | * | . | trans | -95.9 | -16 | 176.2 | -62.2 | -172.1 | 162.4 | 0 | 0 | 113.1 | S92 | E90-S92 PolarHBondContact O-N 3.45Š| ||
| 91 | E | 69.8 | Low | 73 | Confident | 132 Ų | 132 | 50.9 Ų | 50.9 | 62% | 0.617 | 24% | 0.243 | S | C | * | . | trans | -69.7 | 117.8 | -177.3 | -69.7 | -179.4 | 168.9 | 0 | 0 | 112.1 | V89 F93 T94 V95 | V89-E91 HydrophobicContact CG1-CB 4.21Å; E91-F93 VanDerWaalsContact C-N 3.26Å; E91-F93 PolarHBondContact O-N 3.41Å; E91-F93 VanDerWaalsContact O-N 3.1Å; E91-T94 PolarHBondContact O-N 3.45Å; E91-T94 PolarHBondContact OE2-OG1 3.29Å; E91-V95 WeakPolarHBondContact O-CG2 3.42Å; E91-V95 PolarHBondContact O-N 3.25Å | ||
| 92 | S | 68.4 | Low | 73.6 | Confident | 74 Ų | 74 | 48.7 Ų | 48.7 | 52% | 0.517 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -52.6 | -36.6 | -174.9 | 61.9 | 0 | 0 | 0 | 0 | 114.9 | E90 H96 | E90-S92 PolarHBondContact O-N 3.45Å; S92-H96 VanDerWaalsContact O-CB 3.26Å; S92-H96 WeakPolarHBondContact O-CB 3.29Å; S92-H96 PolarHBondContact O-N 3.43Å |
| 93 | F | 71.6 | Confident | 74.1 | Confident | 131 Ų | 131 | 51.1 Ų | 51.1 | 58% | 0.575 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -68.2 | -44.2 | 178 | 179.4 | -96.8 | 0 | 0 | 0 | 112.3 | T46 E91 H96 S97 | T46-F93 HydrophobicContact CG2-CD1 4.25Å; T46-F93 HydrophobicContact CG2-CE1 3.89Å; E91-F93 VanDerWaalsContact C-N 3.26Å; E91-F93 PolarHBondContact O-N 3.41Å; E91-F93 VanDerWaalsContact O-N 3.1Å; F93-H96 PolarHBondContact O-N 3.18Å; F93-S97 WeakPolarHBondContact O-CB 3.41Å; F93-S97 PolarHBondContact O-N 3.44Å; F93-S97 PolarHBondContact O-OG 3.08Å |
| 94 | T | 70 | Confident | 74.6 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.7 | -37.9 | -178.1 | -44 | 0 | 0 | 0 | 0 | 110 | I45 V89 E91 S97 I98 | I45-T94 HydrophobicContact CB-CG2 4.46Å; I45-T94 HydrophobicContact CG2-CG2 4Å; V89-T94 VanDerWaalsContact CG1-CB 3.47Å; V89-T94 HydrophobicContact CG1-CG2 3.65Å; V89-T94 HydrophobicContact CG2-CG2 4.34Å; E91-T94 PolarHBondContact O-N 3.45Å; E91-T94 PolarHBondContact OE2-OG1 3.29Å; T94-S97 WeakPolarHBondContact O-CB 3.39Å; T94-S97 PolarHBondContact O-N 3.1Å; T94-I98 VanDerWaalsContact O-CG1 3.26Å; T94-I98 WeakPolarHBondContact O-CG1 3.4Å; T94-I98 PolarHBondContact O-N 3.13Å |
| 95 | V | 72.6 | Confident | 75.2 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 170.6 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | L86 V89 E91 S97 I98 L99 Y145 | L86-V95 HydrophobicContact CD2-CG1 3.71Å; V89-V95 HydrophobicContact CB-CG2 4.42Å; V89-V95 HydrophobicContact CG1-CG2 4.19Å; V89-V95 WeakPolarHBondContact O-CG2 3.47Å; E91-V95 WeakPolarHBondContact O-CG2 3.42Å; E91-V95 PolarHBondContact O-N 3.25Å; V95-S97 VanDerWaalsContact C-N 3.28Å; V95-S97 PolarHBondContact O-N 2.94Å; V95-I98 PolarHBondContact O-N 2.93Å; V95-L99 HydrophobicContact CG1-CD1 4.24Å; V95-L99 HydrophobicContact CG1-CG 4.41Å; V95-L99 WeakPolarHBondContact O-CB 3.35Å; V95-L99 WeakPolarHBondContact O-CG 3.45Å; V95-L99 PolarHBondContact O-N 3.28Å; V95-Y145 HydrophobicContact CB-CE2 4.04Å; V95-Y145 HydrophobicContact CG1-CE2 3.73Å; V95-Y145 WeakPolarHBondContact CG1-OH 3.43Å |
| 96 | H | 77.7 | Confident | 75.8 | Confident | 65 Ų | 65 | 48.2 Ų | 48.2 | 30% | 0.301 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.2 | -38.5 | 173.6 | -178.3 | 77.1 | 0 | 0 | 0 | 112.1 | S92 F93 L99 S100 Y145 | S92-H96 VanDerWaalsContact O-CB 3.26Å; S92-H96 WeakPolarHBondContact O-CB 3.29Å; S92-H96 PolarHBondContact O-N 3.43Å; F93-H96 PolarHBondContact O-N 3.18Å; H96-L99 PolarHBondContact O-N 3.35Å; H96-S100 WeakPolarHBondContact O-CB 3.22Å; H96-S100 PolarHBondContact O-N 3.33Å; H96-S100 PolarHBondContact O-OG 2.83Å; H96-Y145 HydrophobicContact CB-CD2 4.48Å |
| 97 | S | 75.5 | Confident | 76.3 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.4 | -43.4 | 176.7 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | F93 T94 V95 S100 V101 | F93-S97 WeakPolarHBondContact O-CB 3.41Å; F93-S97 PolarHBondContact O-N 3.44Å; F93-S97 PolarHBondContact O-OG 3.08Å; T94-S97 WeakPolarHBondContact O-CB 3.39Å; T94-S97 PolarHBondContact O-N 3.1Å; V95-S97 VanDerWaalsContact C-N 3.28Å; V95-S97 PolarHBondContact O-N 2.94Å; S97-S100 WeakPolarHBondContact O-CB 3.22Å; S97-S100 PolarHBondContact O-N 3.46Å; S97-S100 VanDerWaalsContact O-N 3.15Å; S97-V101 WeakPolarHBondContact O-CG2 3.27Å; S97-V101 PolarHBondContact O-N 3.18Å |
| 98 | I | 77.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 174.5 | -61.3 | 160 | 0 | 0 | 0 | 110.7 | I45 M49 W85 L86 V89 T94 V95 S100 V101 I102 | I45-I98 HydrophobicContact CG2-CD1 4.15Å; I45-I98 HydrophobicContact CG2-CG1 4.27Å; M49-I98 HydrophobicContact CE-CG1 4.17Å; M49-I98 HydrophobicContact CG-CG1 4.21Å; M49-I98 HydrophobicContact SD-CB 4.38Å; M49-I98 HydrophobicContact SD-CG1 4Å; W85-I98 HydrophobicContact CB-CD1 4.08Å; L86-I98 HydrophobicContact CD1-CG2 4.26Å; L86-I98 HydrophobicContact CD2-CB 3.84Å; L86-I98 HydrophobicContact CD2-CD1 4.24Å; L86-I98 HydrophobicContact CD2-CG2 3.62Å; L86-I98 HydrophobicContact CG-CB 4.35Å; L86-I98 HydrophobicContact CG-CG2 3.6Å; V89-I98 HydrophobicContact CG2-CD1 4.45Å; T94-I98 VanDerWaalsContact O-CG1 3.26Å; T94-I98 WeakPolarHBondContact O-CG1 3.4Å; T94-I98 PolarHBondContact O-N 3.13Å; V95-I98 PolarHBondContact O-N 2.93Å; I98-S100 PolarHBondContact O-N 3.25Å; I98-V101 PolarHBondContact O-N 3.4Å; I98-I102 HydrophobicContact CG2-CD1 3.86Å; I98-I102 HydrophobicContact CG2-CG1 4.39Å; I98-I102 VanDerWaalsContact O-CG1 3.3Å; I98-I102 WeakPolarHBondContact O-CG1 3.17Å; I98-I102 PolarHBondContact O-N 3.04Å |
| 99 | L | 81.3 | Confident | 77.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.8 | -31.7 | 174.2 | -70.3 | 175.5 | 0 | 0 | 0 | 112.1 | L86 V95 H96 F103 F127 Y145 M148 V149 V152 | L86-L99 HydrophobicContact CD2-CD2 4.38Å; L86-L99 HydrophobicContact CD2-CG 4.38Å; V95-L99 HydrophobicContact CG1-CD1 4.24Å; V95-L99 HydrophobicContact CG1-CG 4.41Å; V95-L99 WeakPolarHBondContact O-CB 3.35Å; V95-L99 WeakPolarHBondContact O-CG 3.45Å; V95-L99 PolarHBondContact O-N 3.28Å; H96-L99 PolarHBondContact O-N 3.35Å; L99-F103 WeakPolarHBondContact O-CB 3.43Å; L99-F103 PolarHBondContact O-N 2.86Å; L99-F127 HydrophobicContact CD2-CE2 3.87Å; L99-F127 HydrophobicContact CD2-CZ 3.78Å; L99-Y145 HydrophobicContact CD1-CE2 3.84Å; L99-M148 HydrophobicContact CB-CG 4.03Å; L99-V149 HydrophobicContact CD1-CG2 3.8Å; L99-V152 HydrophobicContact CB-CG2 4.15Å; L99-V152 HydrophobicContact CD2-CG2 4.18Å; L99-V152 VanDerWaalsContact O-CG2 3.28Å; L99-V152 WeakPolarHBondContact O-CG2 3.5Å |
| 100 | S | 82 | Confident | 77.8 | Confident | 17 Ų | 17 | 39.2 Ų | 39.2 | 12% | 0.119 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.7 | -41.7 | 174.4 | -60.1 | 0 | 0 | 0 | 0 | 112.9 | H96 S97 I98 F103 K104 M148 | H96-S100 WeakPolarHBondContact O-CB 3.22Å; H96-S100 PolarHBondContact O-N 3.33Å; H96-S100 PolarHBondContact O-OG 2.83Å; S97-S100 WeakPolarHBondContact O-CB 3.22Å; S97-S100 PolarHBondContact O-N 3.46Å; S97-S100 VanDerWaalsContact O-N 3.15Å; I98-S100 PolarHBondContact O-N 3.25Å; S100-F103 PolarHBondContact O-N 2.99Å; S100-K104 WeakPolarHBondContact O-CB 3.39Å; S100-K104 WeakPolarHBondContact O-CG 3.3Å; S100-K104 PolarHBondContact O-N 3.14Å; S100-M148 WeakPolarHBondContact OG-CE 3.37Å |
| 101 | V | 80.3 | Confident | 78.5 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -47.6 | 172.7 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | M49 W52 L53 S97 I98 F103 K104 I105 | M49-V101 HydrophobicContact CB-CG2 4.47Å; M49-V101 HydrophobicContact SD-CB 3.73Å; M49-V101 HydrophobicContact SD-CG1 4.23Å; M49-V101 HydrophobicContact SD-CG2 3.3Å; M49-V101 WeakPolarHBondContact SD-CG2 3.43Å; W52-V101 HydrophobicContact CD2-CG1 3.92Å; W52-V101 HydrophobicContact CD2-CG2 4.26Å; W52-V101 HydrophobicContact CE3-CB 4.05Å; W52-V101 HydrophobicContact CE3-CG1 3.7Å; W52-V101 HydrophobicContact CE3-CG2 3.55Å; W52-V101 HydrophobicContact CH2-CG1 4.13Å; W52-V101 HydrophobicContact CZ2-CG1 4.34Å; W52-V101 HydrophobicContact CZ3-CB 4.13Å; W52-V101 HydrophobicContact CZ3-CG1 3.82Å; W52-V101 HydrophobicContact CZ3-CG2 4.02Å; L53-V101 HydrophobicContact CD1-CG2 4.36Å; L53-V101 HydrophobicContact CD2-CG2 3.8Å; L53-V101 HydrophobicContact CG-CG2 3.78Å; S97-V101 WeakPolarHBondContact O-CG2 3.27Å; S97-V101 PolarHBondContact O-N 3.18Å; I98-V101 PolarHBondContact O-N 3.4Å; V101-F103 PolarHBondContact O-N 3.4Å; V101-K104 PolarHBondContact O-N 2.97Å; V101-I105 HydrophobicContact CG1-CD1 3.78Å; V101-I105 HydrophobicContact CG1-CG1 4.4Å; V101-I105 VanDerWaalsContact O-CG1 3.27Å; V101-I105 WeakPolarHBondContact O-CG1 3.17Å; V101-I105 PolarHBondContact O-N 3.31Å |
| 102 | I | 83 | Confident | 78.4 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 176.6 | -67.4 | 169.4 | 0 | 0 | 0 | 111 | L82 L86 I98 K104 I105 F106 F127 V152 | L82-I102 HydrophobicContact CD1-CG1 4.28Å; L86-I102 HydrophobicContact CD1-CD1 3.66Å; L86-I102 HydrophobicContact CG-CD1 4.47Å; I98-I102 HydrophobicContact CG2-CD1 3.86Å; I98-I102 HydrophobicContact CG2-CG1 4.39Å; I98-I102 VanDerWaalsContact O-CG1 3.3Å; I98-I102 WeakPolarHBondContact O-CG1 3.17Å; I98-I102 PolarHBondContact O-N 3.04Å; I102-K104 PolarHBondContact O-N 3.45Å; I102-I105 PolarHBondContact O-N 2.86Å; I102-F106 HydrophobicContact CG2-CD2 3.74Å; I102-F106 HydrophobicContact CG2-CE1 4.22Å; I102-F106 HydrophobicContact CG2-CE2 3.21Å; I102-F106 HydrophobicContact CG2-CG 4.42Å; I102-F106 HydrophobicContact CG2-CZ 3.49Å; I102-F106 VanDerWaalsContact CG2-CZ 3.49Å; I102-F106 WeakPolarHBondContact O-CG 3.17Å; I102-F106 PolarHBondContact O-N 2.91Å; I102-F127 HydrophobicContact CD1-CD2 4.41Å; I102-F127 HydrophobicContact CD1-CE2 4.4Å; I102-V152 HydrophobicContact CG2-CG1 3.76Å |
| 103 | F | 84.1 | Confident | 78.6 | Confident | 53 Ų | 53 | 35 Ų | 35 | 23% | 0.232 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.1 | -49 | 176.7 | 172.8 | -103.6 | 0 | 0 | 0 | 111.4 | L99 S100 V101 F106 D107 M148 K151 V152 S155 | L99-F103 WeakPolarHBondContact O-CB 3.43Å; L99-F103 PolarHBondContact O-N 2.86Å; S100-F103 PolarHBondContact O-N 2.99Å; V101-F103 PolarHBondContact O-N 3.4Å; F103-F106 PolarHBondContact O-N 3.03Å; F103-D107 HydrophobicContact CZ-CB 4.44Å; F103-D107 VanDerWaalsContact O-CB 3.3Å; F103-D107 WeakPolarHBondContact O-CB 3.41Å; F103-D107 PolarHBondContact O-N 3.43Å; F103-M148 HydrophobicContact CB-CE 3.65Å; F103-M148 HydrophobicContact CD1-CE 4.19Å; F103-M148 HydrophobicContact CG-CE 4.01Å; F103-K151 HydrophobicContact CD2-CB 3.86Å; F103-K151 HydrophobicContact CE2-CB 3.87Å; F103-V152 HydrophobicContact CB-CG2 3.8Å; F103-S155 WeakPolarHBondContact CD2-OG 3.27Å |
| 104 | K | 83.8 | Confident | 78.8 | Confident | 36 Ų | 36 | 30.2 Ų | 30.2 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.1 | -36 | 179.1 | -76 | 178 | 175.6 | -169.1 | 0 | 112.8 | W52 L53 Y56 D57 S100 V101 I102 D107 C108 | W52-K104 HydrophobicContact CH2-CB 3.98Å; W52-K104 HydrophobicContact CZ3-CB 3.88Å; W52-K104 HydrophobicContact CZ3-CD 4.14Å; L53-K104 HydrophobicContact CD2-CD 3.55Å; Y56-K104 HydrophobicContact CD1-CD 3.57Å; Y56-K104 HydrophobicContact CD1-CG 4.28Å; Y56-K104 HydrophobicContact CD2-CB 4.43Å; Y56-K104 HydrophobicContact CE1-CB 4.3Å; Y56-K104 HydrophobicContact CE1-CD 3.81Å; Y56-K104 HydrophobicContact CE1-CG 4.03Å; Y56-K104 HydrophobicContact CE2-CB 4.15Å; Y56-K104 HydrophobicContact CG-CD 3.99Å; D57-K104 VanDerWaalsContact CG-NZ 3.35Å; D57-K104 IonicContact OD1-NZ 3.23Å; D57-K104 PolarHBondContact OD1-NZ 3.33Å; D57-K104 IonicContact OD2-NZ 3.06Å; D57-K104 PolarHBondContact OD2-NZ 2.87Å; S100-K104 WeakPolarHBondContact O-CB 3.39Å; S100-K104 WeakPolarHBondContact O-CG 3.3Å; S100-K104 PolarHBondContact O-N 3.14Å; V101-K104 PolarHBondContact O-N 2.97Å; I102-K104 PolarHBondContact O-N 3.45Å; K104-D107 PolarHBondContact O-N 3.41Å; K104-C108 WeakPolarHBondContact O-CB 3.42Å; K104-C108 PolarHBondContact O-N 2.88Å |
| 105 | I | 83.6 | Confident | 79.2 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -48.7 | 172.2 | -69.9 | 166.8 | 0 | 0 | 0 | 109.9 | W52 F72 F73 L82 V101 I102 A109 | W52-I105 HydrophobicContact CH2-CD1 4.5Å; W52-I105 HydrophobicContact CH2-CG1 3.71Å; W52-I105 HydrophobicContact CZ2-CD1 4.28Å; W52-I105 HydrophobicContact CZ2-CG1 3.7Å; F72-I105 HydrophobicContact CD1-CD1 4.11Å; F72-I105 HydrophobicContact CE1-CD1 4.04Å; F72-I105 HydrophobicContact CE2-CD1 4.49Å; F72-I105 HydrophobicContact CG-CD1 4.37Å; F72-I105 HydrophobicContact CZ-CD1 4.23Å; F73-I105 HydrophobicContact CE2-CG2 4.02Å; F73-I105 HydrophobicContact CZ-CG2 3.78Å; L82-I105 HydrophobicContact CD1-CD1 3.74Å; V101-I105 HydrophobicContact CG1-CD1 3.78Å; V101-I105 HydrophobicContact CG1-CG1 4.4Å; V101-I105 VanDerWaalsContact O-CG1 3.27Å; V101-I105 WeakPolarHBondContact O-CG1 3.17Å; V101-I105 PolarHBondContact O-N 3.31Å; I102-I105 PolarHBondContact O-N 2.86Å; I105-A109 VanDerWaalsContact O-CB 3.25Å; I105-A109 WeakPolarHBondContact O-CB 3.44Å; I105-A109 PolarHBondContact O-N 2.95Å |
| 106 | F | 85.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67 | -38.9 | 178.8 | -65.2 | -17.5 | 0 | 0 | 0 | 112.4 | I102 F103 A109 S110 A120 V123 F124 V152 S155 L159 | I102-F106 HydrophobicContact CG2-CD2 3.74Å; I102-F106 HydrophobicContact CG2-CE1 4.22Å; I102-F106 HydrophobicContact CG2-CE2 3.21Å; I102-F106 HydrophobicContact CG2-CG 4.42Å; I102-F106 HydrophobicContact CG2-CZ 3.49Å; I102-F106 VanDerWaalsContact CG2-CZ 3.49Å; I102-F106 WeakPolarHBondContact O-CG 3.17Å; I102-F106 PolarHBondContact O-N 2.91Å; F103-F106 PolarHBondContact O-N 3.03Å; F106-A109 CarbonylContact O-C 3.56Å; F106-A109 PolarHBondContact O-N 3.34Å; F106-S110 VanDerWaalsContact O-CB 3.3Å; F106-S110 WeakPolarHBondContact O-CB 3.3Å; F106-S110 PolarHBondContact O-N 3.29Å; F106-S110 PolarHBondContact O-OG 3.44Å; F106-A120 HydrophobicContact CD1-CB 4.5Å; F106-V123 HydrophobicContact CE1-CB 4.07Å; F106-V123 HydrophobicContact CE1-CG1 3.94Å; F106-V123 HydrophobicContact CZ-CG1 4.17Å; F106-F124 HydrophobicContact CD2-CD2 4.37Å; F106-F124 HydrophobicContact CE1-CB 4.02Å; F106-F124 HydrophobicContact CE2-CB 4.27Å; F106-F124 AromaticContact CE2-CD2 3.57Å; F106-F124 HydrophobicContact CE2-CD2 3.57Å; F106-F124 HydrophobicContact CE2-CE2 4.37Å; F106-F124 HydrophobicContact CE2-CG 4.33Å; F106-F124 HydrophobicContact CZ-CB 3.68Å; F106-F124 AromaticContact CZ-CD2 3.83Å; F106-F124 HydrophobicContact CZ-CD2 3.83Å; F106-F124 HydrophobicContact CZ-CG 4.22Å; F106-V152 HydrophobicContact CD2-CG1 4.16Å; F106-V152 HydrophobicContact CE2-CG1 3.9Å; F106-S155 WeakPolarHBondContact CB-OG 3.34Å; F106-L159 HydrophobicContact CD1-CD1 3.77Å; F106-L159 HydrophobicContact CE1-CD1 4.11Å; F106-L159 HydrophobicContact CG-CD1 4.17Å |
| 107 | D | 81.5 | Confident | 79.7 | Confident | 53 Ų | 53 | 37.6 Ų | 37.6 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67 | -39.9 | 177.9 | -167.1 | 59.9 | 0 | 0 | 0 | 112.1 | F103 K104 S110 | F103-D107 HydrophobicContact CZ-CB 4.44Å; F103-D107 VanDerWaalsContact O-CB 3.3Å; F103-D107 WeakPolarHBondContact O-CB 3.41Å; F103-D107 PolarHBondContact O-N 3.43Å; K104-D107 PolarHBondContact O-N 3.41Å; D107-S110 PolarHBondContact O-OG 3.44Å |
| 108 | C | 80.5 | Confident | 80 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 170.4 | -102.9 | 0 | 0 | 0 | 0 | 112.7 | Y56 V69 K104 S110 | Y56-C108 HydrophobicContact CE2-CB 4.4Å; Y56-C108 WeakPolarHBondContact CE2-SG 3.38Å; Y56-C108 PolarHBondContact OH-SG 3.27Å; V69-C108 HydrophobicContact CB-CB 4.34Å; V69-C108 HydrophobicContact CG1-CB 4.11Å; V69-C108 HydrophobicContact CG2-CB 3.83Å; K104-C108 WeakPolarHBondContact O-CB 3.42Å; K104-C108 PolarHBondContact O-N 2.88Å; C108-S110 VanDerWaalsContact C-N 3.34Å |
| 109 | A | 82.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.7 | -22.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I105 F106 K111 S114 A120 L159 | I105-A109 VanDerWaalsContact O-CB 3.25Å; I105-A109 WeakPolarHBondContact O-CB 3.44Å; I105-A109 PolarHBondContact O-N 2.95Å; F106-A109 CarbonylContact O-C 3.56Å; F106-A109 PolarHBondContact O-N 3.34Å; A109-K111 VanDerWaalsContact C-N 3.35Å; A109-S114 PolarHBondContact O-OG 3.39Å; A109-A120 HydrophobicContact CB-CB 3.44Å; A109-A120 VanDerWaalsContact CB-CB 3.44Å; A109-L159 HydrophobicContact CB-CD2 3.65Å |
| 110 | S | 77.8 | Confident | 80.3 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -76.5 | -21.4 | 177 | 73.2 | 0 | 0 | 0 | 0 | 113 | F106 D107 C108 S158 | F106-S110 VanDerWaalsContact O-CB 3.3Å; F106-S110 WeakPolarHBondContact O-CB 3.3Å; F106-S110 PolarHBondContact O-N 3.29Å; F106-S110 PolarHBondContact O-OG 3.44Å; D107-S110 PolarHBondContact O-OG 3.44Å; C108-S110 VanDerWaalsContact C-N 3.34Å; S110-S158 WeakPolarHBondContact CB-OG 3.28Å |
| 111 | K | 79.7 | Confident | 80.5 | Confident | 96 Ų | 96 | 49.9 Ų | 49.9 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -58.1 | 135.3 | 177.6 | -70 | 176.9 | -175.2 | 176.9 | 0 | 111 | A109 G113 S114 | A109-K111 VanDerWaalsContact C-N 3.35Å; K111-G113 PolarHBondContact O-N 3.43Å; K111-S114 WeakPolarHBondContact O-CB 3.48Å; K111-S114 PolarHBondContact O-N 3.04Å |
| 112 | P | 69 | Low | 80.6 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 86% | 0.857 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 128.1 | -176.6 | 23.3 | -31.4 | 0 | 0 | 0 | 111.2 | ||
| 113 | G | 71.8 | Confident | 80.6 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 86% | 0.856 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.5 | 2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K111 S115 | K111-G113 PolarHBondContact O-N 3.43Å; G113-S115 PolarHBondContact O-N 2.98Å |
| 114 | S | 76.3 | Confident | 80.7 | Confident | 30 Ų | 30 | 53 Ų | 53 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | trans | -64.6 | 127.2 | 178.2 | 85.7 | 0 | 0 | 0 | 0 | 111.8 | A109 K111 F116 R117 | A109-S114 PolarHBondContact O-OG 3.39Å; K111-S114 WeakPolarHBondContact O-CB 3.48Å; K111-S114 PolarHBondContact O-N 3.04Å; S114-F116 PolarHBondContact O-N 3.07Å; S114-R117 PolarHBondContact OG-N 3.03Å | ||
| 115 | S | 76.8 | Confident | 80.8 | Confident | 98 Ų | 98 | 51.4 Ų | 51.4 | 69% | 0.685 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -15.9 | 173.6 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | G113 | G113-S115 PolarHBondContact O-N 2.98Š|
| 116 | F | 78.9 | Confident | 80.7 | Confident | 39 Ų | 39 | 53.3 Ų | 53.3 | 17% | 0.171 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -5.3 | -173.8 | -53.3 | -62.4 | 0 | 0 | 0 | 114.7 | A70 F73 S114 Q118 R119 A120 | A70-F116 HydrophobicContact CB-CE1 4.2Å; A70-F116 HydrophobicContact CB-CE2 3.78Å; A70-F116 HydrophobicContact CB-CZ 3.34Å; F73-F116 HydrophobicContact CB-CD1 3.46Å; F73-F116 VanDerWaalsContact CB-CD1 3.46Å; F73-F116 HydrophobicContact CB-CE1 3.85Å; F73-F116 HydrophobicContact CB-CG 4.31Å; F73-F116 HydrophobicContact CD2-CB 3.35Å; F73-F116 AromaticContact CD2-CD1 3.41Å; F73-F116 HydrophobicContact CD2-CD1 3.41Å; F73-F116 VanDerWaalsContact CD2-CD1 3.41Å; F73-F116 HydrophobicContact CD2-CD2 4.16Å; F73-F116 HydrophobicContact CD2-CE1 4.29Å; F73-F116 AromaticContact CD2-CG 3.35Å; F73-F116 HydrophobicContact CD2-CG 3.35Å; F73-F116 HydrophobicContact CE2-CB 3.41Å; F73-F116 VanDerWaalsContact CE2-CB 3.41Å; F73-F116 HydrophobicContact CE2-CD1 4.36Å; F73-F116 AromaticContact CE2-CG 3.91Å; F73-F116 HydrophobicContact CE2-CG 3.91Å; F73-F116 HydrophobicContact CG-CB 4.06Å; F73-F116 AromaticContact CG-CD1 3.63Å; F73-F116 HydrophobicContact CG-CD1 3.63Å; F73-F116 HydrophobicContact CG-CE1 4.45Å; F73-F116 HydrophobicContact CG-CG 4.03Å; F73-F116 HydrophobicContact CZ-CB 4.15Å; S114-F116 PolarHBondContact O-N 3.07Å; F116-Q118 VanDerWaalsContact C-N 3.32Å; F116-Q118 PolarHBondContact O-N 2.74Å; F116-R119 PolarHBondContact O-N 3.14Å; F116-A120 PolarHBondContact O-N 3.14Å |
| 117 | R | 82.6 | Confident | 80.5 | Confident | 94 Ų | 94 | 53.8 Ų | 53.8 | 36% | 0.355 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -50.9 | -46.7 | -173.4 | -163.1 | 175.3 | -169.2 | 168.1 | 10 | 113.6 | S114 R119 A120 I121 S158 L159 | S114-R117 PolarHBondContact OG-N 3.03Å; R117-R119 PolarHBondContact O-N 2.87Å; R117-A120 PolarHBondContact O-N 3.36Å; R117-I121 HydrophobicContact CG-CD1 4.47Å; R117-I121 VanDerWaalsContact O-CG1 3.27Å; R117-I121 WeakPolarHBondContact O-CG1 3.27Å; R117-I121 PolarHBondContact O-N 2.98Å; R117-S158 PolarHBondContact NH2-O 3.45Å; R117-L159 PolarHBondContact NE-O 3.17Å; R117-L159 PolarHBondContact NH2-O 3.05Å |
| 118 | Q | 82.1 | Confident | 80.5 | Confident | 158 Ų | 158 | 51.3 Ų | 51.3 | 74% | 0.738 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.6 | -35.5 | 179.9 | -72.8 | -172.6 | -7.8 | 0 | 0 | 113.4 | F116 | F116-Q118 VanDerWaalsContact C-N 3.32Å; F116-Q118 PolarHBondContact O-N 2.74Å |
| 119 | R | 81.3 | Confident | 80.5 | Confident | 96 Ų | 96 | 57.7 Ų | 57.7 | 36% | 0.362 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -72.5 | -42.6 | 177 | -63.8 | -176.2 | -170.5 | -176.6 | 3.4 | 110.3 | F73 F116 R117 I121 R122 V123 | F73-R119 HydrophobicContact CD1-CB 3.37Å; F73-R119 HydrophobicContact CD1-CG 4.22Å; F73-R119 HydrophobicContact CE1-CB 3.38Å; F73-R119 HydrophobicContact CG-CB 4.32Å; F73-R119 HydrophobicContact CZ-CB 4.32Å; F73-R119 PolarHBondContact O-NH1 3.19Å; F116-R119 PolarHBondContact O-N 3.14Å; R117-R119 PolarHBondContact O-N 2.87Å; R119-I121 VanDerWaalsContact C-N 3.3Å; R119-I121 PolarHBondContact O-N 3.49Å; R119-R122 WeakPolarHBondContact O-CB 3.38Å; R119-R122 PolarHBondContact O-N 3.25Å; R119-V123 WeakPolarHBondContact O-CG2 3.4Å; R119-V123 PolarHBondContact O-N 3.01Å |
| 120 | A | 84.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.7 | -38.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F73 F106 A109 F116 R117 R122 V123 F124 L159 | F73-A120 HydrophobicContact CZ-CB 3.85Å; F106-A120 HydrophobicContact CD1-CB 4.5Å; A109-A120 HydrophobicContact CB-CB 3.44Å; A109-A120 VanDerWaalsContact CB-CB 3.44Å; F116-A120 PolarHBondContact O-N 3.14Å; R117-A120 PolarHBondContact O-N 3.36Å; A120-R122 VanDerWaalsContact C-N 3.26Å; A120-R122 PolarHBondContact O-N 3.36Å; A120-V123 WeakPolarHBondContact O-CB 3.28Å; A120-V123 PolarHBondContact O-N 3.1Å; A120-F124 PolarHBondContact O-N 3.25Å; A120-L159 HydrophobicContact CB-CD1 3.92Å; A120-L159 HydrophobicContact CB-CD2 3.84Å |
| 121 | I | 85.5 | Confident | 79.7 | Confident | 25 Ų | 25 | 63.6 Ų | 63.6 | 13% | 0.128 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.3 | -38.9 | 174.9 | -71 | 165.7 | 0 | 0 | 0 | 111.1 | R117 R119 F124 G125 L159 V162 A163 | R117-I121 HydrophobicContact CG-CD1 4.47Å; R117-I121 VanDerWaalsContact O-CG1 3.27Å; R117-I121 WeakPolarHBondContact O-CG1 3.27Å; R117-I121 PolarHBondContact O-N 2.98Å; R119-I121 VanDerWaalsContact C-N 3.3Å; R119-I121 PolarHBondContact O-N 3.49Å; I121-F124 PolarHBondContact O-N 3.3Å; I121-G125 PolarHBondContact O-N 2.96Å; I121-L159 HydrophobicContact CG1-CB 3.83Å; I121-V162 HydrophobicContact CG2-CB 4Å; I121-V162 HydrophobicContact CG2-CG1 3.76Å; I121-A163 HydrophobicContact CG1-CB 4.37Å; I121-A163 HydrophobicContact CG2-CB 4.49Å |
| 122 | R | 82.5 | Confident | 79.3 | Confident | 121 Ų | 121 | 62.5 Ų | 62.5 | 46% | 0.457 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 177.5 | -64 | -176.2 | -175.2 | -165.7 | 6.2 | 112.2 | Y77 R119 A120 F124 G125 Q126 | Y77-R122 PolarHBondContact OH-NH1 3.26Å; Y77-R122 PolarHBondContact OH-NH2 3.48Å; R119-R122 WeakPolarHBondContact O-CB 3.38Å; R119-R122 PolarHBondContact O-N 3.25Å; A120-R122 VanDerWaalsContact C-N 3.26Å; A120-R122 PolarHBondContact O-N 3.36Å; R122-F124 VanDerWaalsContact C-N 3.29Å; R122-F124 PolarHBondContact O-N 3.21Å; R122-G125 PolarHBondContact O-N 2.99Å; R122-Q126 PolarHBondContact O-N 3.15Å |
| 123 | V | 82.6 | Confident | 79.3 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.1 | -45.7 | 173.7 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | F73 D78 F106 R119 A120 Q126 F127 | F73-V123 HydrophobicContact CE1-CG2 4.29Å; D78-V123 VanDerWaalsContact O-CA 3.29Å; D78-V123 WeakPolarHBondContact O-CA 3.43Å; D78-V123 WeakPolarHBondContact O-CG2 3.2Å; F106-V123 HydrophobicContact CE1-CB 4.07Å; F106-V123 HydrophobicContact CE1-CG1 3.94Å; F106-V123 HydrophobicContact CZ-CG1 4.17Å; R119-V123 WeakPolarHBondContact O-CG2 3.4Å; R119-V123 PolarHBondContact O-N 3.01Å; A120-V123 WeakPolarHBondContact O-CB 3.28Å; A120-V123 PolarHBondContact O-N 3.1Å; V123-Q126 PolarHBondContact O-N 3.11Å; V123-F127 PolarHBondContact O-N 3.38Å |
| 124 | F | 87.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 176.9 | -174 | -121.6 | 0 | 0 | 0 | 112.6 | F106 A120 I121 R122 Q126 F127 I128 G156 L159 A163 | F106-F124 HydrophobicContact CD2-CD2 4.37Å; F106-F124 HydrophobicContact CE1-CB 4.02Å; F106-F124 HydrophobicContact CE2-CB 4.27Å; F106-F124 AromaticContact CE2-CD2 3.57Å; F106-F124 HydrophobicContact CE2-CD2 3.57Å; F106-F124 HydrophobicContact CE2-CE2 4.37Å; F106-F124 HydrophobicContact CE2-CG 4.33Å; F106-F124 HydrophobicContact CZ-CB 3.68Å; F106-F124 AromaticContact CZ-CD2 3.83Å; F106-F124 HydrophobicContact CZ-CD2 3.83Å; F106-F124 HydrophobicContact CZ-CG 4.22Å; A120-F124 PolarHBondContact O-N 3.25Å; I121-F124 PolarHBondContact O-N 3.3Å; R122-F124 VanDerWaalsContact C-N 3.29Å; R122-F124 PolarHBondContact O-N 3.21Å; F124-Q126 VanDerWaalsContact C-N 3.33Å; F124-Q126 PolarHBondContact O-N 3.37Å; F124-F127 HydrophobicContact CD2-CD1 4.35Å; F124-F127 HydrophobicContact CE2-CD1 4.46Å; F124-F127 WeakPolarHBondContact O-CB 3.32Å; F124-F127 PolarHBondContact O-N 2.88Å; F124-F127 VanDerWaalsContact O-N 3.15Å; F124-I128 HydrophobicContact CD1-CD1 3.4Å; F124-I128 VanDerWaalsContact CD1-CD1 3.4Å; F124-I128 HydrophobicContact CD1-CG1 4.3Å; F124-I128 HydrophobicContact CD2-CD1 4.1Å; F124-I128 HydrophobicContact CD2-CG1 4.15Å; F124-I128 HydrophobicContact CE1-CD1 3.09Å; F124-I128 HydrophobicContact CE1-CG1 4.08Å; F124-I128 HydrophobicContact CE2-CD1 3.8Å; F124-I128 HydrophobicContact CE2-CG1 3.86Å; F124-I128 HydrophobicContact CG-CD1 3.94Å; F124-I128 HydrophobicContact CG-CG1 4.38Å; F124-I128 HydrophobicContact CZ-CD1 3.32Å; F124-I128 HydrophobicContact CZ-CG1 3.85Å; F124-I128 VanDerWaalsContact O-CG1 3.31Å; F124-I128 WeakPolarHBondContact O-CG1 3.37Å; F124-I128 PolarHBondContact O-N 3.03Å; F124-G156 VanDerWaalsContact CE1-C 3.41Å; F124-G156 WeakPolarHBondContact CE1-O 3.3Å; F124-G156 VanDerWaalsContact CE2-CA 3.48Å; F124-G156 VanDerWaalsContact CZ-C 3.45Å; F124-L159 HydrophobicContact CB-CD1 3.92Å; F124-L159 HydrophobicContact CG-CD1 4.41Å; F124-A163 HydrophobicContact CD1-CB 3.47Å; F124-A163 VanDerWaalsContact CD1-CB 3.47Å; F124-A163 HydrophobicContact CE1-CB 3.79Å; F124-A163 WeakPolarHBondContact CE1-O 3.33Å |
| 125 | G | 84.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I121 R122 R129 | I121-G125 PolarHBondContact O-N 2.96Å; R122-G125 PolarHBondContact O-N 2.99Å; G125-R129 VanDerWaalsContact O-CG 3.27Å; G125-R129 WeakPolarHBondContact O-CG 3.39Å; G125-R129 PolarHBondContact O-N 3.32Å; G125-R129 VanDerWaalsContact O-N 3.09Å |
| 126 | Q | 81.6 | Confident | 78.9 | Confident | 41 Ų | 41 | 62.2 Ų | 62.2 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 173.4 | -73.3 | -154.2 | 2.2 | 0 | 0 | 112.5 | D78 V83 R122 V123 F124 I128 R129 | D78-Q126 PolarHBondContact OD2-NE2 2.95Å; V83-Q126 HydrophobicContact CG2-CB 4.29Å; R122-Q126 PolarHBondContact O-N 3.15Å; V123-Q126 PolarHBondContact O-N 3.11Å; F124-Q126 VanDerWaalsContact C-N 3.33Å; F124-Q126 PolarHBondContact O-N 3.37Å; Q126-I128 PolarHBondContact O-N 3.42Å; Q126-R129 PolarHBondContact O-N 2.83Å |
| 127 | F | 82.3 | Confident | 78.5 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 177.1 | 179.7 | -105.9 | 0 | 0 | 0 | 112.5 | L86 L99 I102 V123 F124 R130 L134 V152 | L86-F127 HydrophobicContact CD1-CD2 3.82Å; L86-F127 HydrophobicContact CD1-CE2 3.61Å; L99-F127 HydrophobicContact CD2-CE2 3.87Å; L99-F127 HydrophobicContact CD2-CZ 3.78Å; I102-F127 HydrophobicContact CD1-CD2 4.41Å; I102-F127 HydrophobicContact CD1-CE2 4.4Å; V123-F127 PolarHBondContact O-N 3.38Å; F124-F127 HydrophobicContact CD2-CD1 4.35Å; F124-F127 HydrophobicContact CE2-CD1 4.46Å; F124-F127 WeakPolarHBondContact O-CB 3.32Å; F124-F127 PolarHBondContact O-N 2.88Å; F124-F127 VanDerWaalsContact O-N 3.15Å; F127-R130 PolarHBondContact O-N 3.43Å; F127-L134 HydrophobicContact CD1-CD1 4.21Å; F127-L134 HydrophobicContact CD1-CD2 4.28Å; F127-L134 HydrophobicContact CE1-CD1 4.09Å; F127-L134 HydrophobicContact CE1-CD2 3.42Å; F127-L134 VanDerWaalsContact CE1-CD2 3.42Å; F127-L134 HydrophobicContact CE1-CG 4.35Å; F127-L134 HydrophobicContact CE2-CD2 4.01Å; F127-L134 HydrophobicContact CZ-CD2 3.29Å; F127-L134 HydrophobicContact CZ-CG 4.42Å; F127-V152 HydrophobicContact CD1-CG1 4.36Å; F127-V152 HydrophobicContact CE1-CG1 3.61Å; F127-V152 HydrophobicContact CZ-CG1 3.75Å |
| 128 | I | 81.8 | Confident | 78.1 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.7 | -36.4 | 180 | -58.9 | 164.5 | 0 | 0 | 0 | 112.2 | F124 Q126 R130 A131 D166 L167 F170 F171 | F124-I128 HydrophobicContact CD1-CD1 3.4Å; F124-I128 VanDerWaalsContact CD1-CD1 3.4Å; F124-I128 HydrophobicContact CD1-CG1 4.3Å; F124-I128 HydrophobicContact CD2-CD1 4.1Å; F124-I128 HydrophobicContact CD2-CG1 4.15Å; F124-I128 HydrophobicContact CE1-CD1 3.09Å; F124-I128 HydrophobicContact CE1-CG1 4.08Å; F124-I128 HydrophobicContact CE2-CD1 3.8Å; F124-I128 HydrophobicContact CE2-CG1 3.86Å; F124-I128 HydrophobicContact CG-CD1 3.94Å; F124-I128 HydrophobicContact CG-CG1 4.38Å; F124-I128 HydrophobicContact CZ-CD1 3.32Å; F124-I128 HydrophobicContact CZ-CG1 3.85Å; F124-I128 VanDerWaalsContact O-CG1 3.31Å; F124-I128 WeakPolarHBondContact O-CG1 3.37Å; F124-I128 PolarHBondContact O-N 3.03Å; Q126-I128 PolarHBondContact O-N 3.42Å; I128-R130 CarbonylContact O-C 3.59Å; I128-R130 PolarHBondContact O-N 3.17Å; I128-A131 WeakPolarHBondContact O-CA 3.41Å; I128-A131 WeakPolarHBondContact O-CB 3.15Å; I128-A131 PolarHBondContact O-N 3.43Å; I128-D166 HydrophobicContact CD1-CB 4.41Å; I128-L167 HydrophobicContact CD1-CB 3.76Å; I128-L167 HydrophobicContact CD1-CD1 4.01Å; I128-L167 HydrophobicContact CD1-CG 4.49Å; I128-L167 HydrophobicContact CG1-CD1 4.22Å; I128-L167 HydrophobicContact CG2-CD1 4.18Å; I128-F170 HydrophobicContact CG2-CB 3.71Å; I128-F171 HydrophobicContact CG2-CB 4.27Å |
| 129 | R | 79.9 | Confident | 77.8 | Confident | 153 Ų | 153 | 57.5 Ų | 57.5 | 58% | 0.577 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -53.2 | -22.7 | 177.9 | -79.8 | 174.1 | -166.4 | 175.6 | 5.6 | 112.8 | G125 Q126 A131 F170 | G125-R129 VanDerWaalsContact O-CG 3.27Å; G125-R129 WeakPolarHBondContact O-CG 3.39Å; G125-R129 PolarHBondContact O-N 3.32Å; G125-R129 VanDerWaalsContact O-N 3.09Å; Q126-R129 PolarHBondContact O-N 2.83Å; R129-A131 VanDerWaalsContact C-N 3.31Å; R129-A131 PolarHBondContact O-N 3.05Å; R129-F170 HydrophobicContact CG-CD1 4.27Å; R129-F170 HydrophobicContact CG-CD2 3.88Å; R129-F170 HydrophobicContact CG-CE1 4.05Å; R129-F170 HydrophobicContact CG-CE2 3.67Å; R129-F170 HydrophobicContact CG-CG 4.2Å; R129-F170 HydrophobicContact CG-CZ 3.76Å |
| 130 | R | 76.5 | Confident | 77.4 | Confident | 144 Ų | 144 | 56.5 Ų | 56.5 | 54% | 0.543 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 40.3 | 171.6 | -58.7 | -64.6 | -166.8 | -163.3 | -4.8 | 113.2 | V83 E87 F127 I128 A132 A133 L134 | V83-R130 HydrophobicContact CG1-CG 4.34Å; E87-R130 WeakPolarHBondContact OE1-CD 3.44Å; E87-R130 IonicContact OE1-CZ 2.78Å; E87-R130 IonicContact OE1-NE 2.96Å; E87-R130 PolarHBondContact OE1-NE 3.22Å; E87-R130 IonicContact OE1-NH2 2.8Å; F127-R130 PolarHBondContact O-N 3.43Å; I128-R130 CarbonylContact O-C 3.59Å; I128-R130 PolarHBondContact O-N 3.17Å; R130-A132 PolarHBondContact O-N 3.32Å; R130-A133 WeakPolarHBondContact O-CB 3.5Å; R130-A133 PolarHBondContact O-N 2.92Å; R130-L134 PolarHBondContact O-N 3.08Å |
| 131 | A | 66.6 | Low | 76.6 | Confident | 9 Ų | 9 | 61.7 Ų | 61.7 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -52.3 | -30.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I128 R129 A133 L134 R135 F170 F171 | I128-A131 WeakPolarHBondContact O-CA 3.41Å; I128-A131 WeakPolarHBondContact O-CB 3.15Å; I128-A131 PolarHBondContact O-N 3.43Å; R129-A131 VanDerWaalsContact C-N 3.31Å; R129-A131 PolarHBondContact O-N 3.05Å; A131-A133 PolarHBondContact O-N 3.45Å; A131-L134 PolarHBondContact O-N 2.83Å; A131-R135 WeakPolarHBondContact O-CG 3.33Å; A131-R135 PolarHBondContact O-N 2.96Å; A131-F170 WeakPolarHBondContact CB-O 3.32Å; A131-F171 HydrophobicContact CB-CD2 4.2Å |
| 132 | A | 70.9 | Confident | 76.1 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 60% | 0.603 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.3 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R130 R136 | R130-A132 PolarHBondContact O-N 3.32Å; A132-R136 PolarHBondContact O-N 3.33Å; A132-R136 VanDerWaalsContact O-N 3.12Å |
| 133 | A | 68.9 | Low | 75.8 | Confident | 47 Ų | 47 | 60.9 Ų | 60.9 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.5 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R130 A131 R136 Q137 | R130-A133 WeakPolarHBondContact O-CB 3.5Å; R130-A133 PolarHBondContact O-N 2.92Å; A131-A133 PolarHBondContact O-N 3.45Å; A133-R136 WeakPolarHBondContact O-CB 3.13Å; A133-R136 PolarHBondContact O-N 3.22Å; A133-Q137 WeakPolarHBondContact O-CB 3.29Å; A133-Q137 VanDerWaalsContact O-CG 3.29Å; A133-Q137 WeakPolarHBondContact O-CG 3.26Å; A133-Q137 PolarHBondContact O-N 2.97Å |
| 134 | L | 69.6 | Low | 75.3 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 175.3 | -70.9 | 165.7 | 0 | 0 | 0 | 112.6 | F127 R130 A131 R136 Q137 L138 V149 F171 | F127-L134 HydrophobicContact CD1-CD1 4.21Å; F127-L134 HydrophobicContact CD1-CD2 4.28Å; F127-L134 HydrophobicContact CE1-CD1 4.09Å; F127-L134 HydrophobicContact CE1-CD2 3.42Å; F127-L134 VanDerWaalsContact CE1-CD2 3.42Å; F127-L134 HydrophobicContact CE1-CG 4.35Å; F127-L134 HydrophobicContact CE2-CD2 4.01Å; F127-L134 HydrophobicContact CZ-CD2 3.29Å; F127-L134 HydrophobicContact CZ-CG 4.42Å; R130-L134 PolarHBondContact O-N 3.08Å; A131-L134 PolarHBondContact O-N 2.83Å; L134-R136 VanDerWaalsContact C-N 3.32Å; L134-R136 PolarHBondContact O-N 3.11Å; L134-Q137 PolarHBondContact O-N 3.24Å; L134-L138 PolarHBondContact O-N 3.45Å; L134-V149 HydrophobicContact CD2-CG1 4.26Å; L134-F171 HydrophobicContact CB-CE2 4.33Å |
| 135 | R | 74.3 | Confident | 74.6 | Confident | 85 Ų | 85 | 64.5 Ų | 64.5 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 174.7 | -71.9 | 174.9 | -178.1 | 144.8 | 6.3 | 112.1 | A131 Q137 R139 F171 D175 | A131-R135 WeakPolarHBondContact O-CG 3.33Å; A131-R135 PolarHBondContact O-N 2.96Å; R135-Q137 VanDerWaalsContact C-N 3.35Å; R135-R139 WeakPolarHBondContact O-CG 3.4Å; R135-R139 PolarHBondContact O-N 3.27Å; R135-F171 HydrophobicContact CG-CE2 3.86Å; R135-D175 VanDerWaalsContact CD-OD2 3.26Å; R135-D175 WeakPolarHBondContact CD-OD2 3.26Å; R135-D175 IonicContact CZ-OD2 2.87Å; R135-D175 IonicContact NE-OD2 3.41Å; R135-D175 PolarHBondContact NE-OD2 2.67Å; R135-D175 IonicContact NH2-OD2 2.73Å |
| 136 | R | 73.8 | Confident | 74.3 | Confident | 201 Ų | 201 | 66 Ų | 66 | 76% | 0.758 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 175.1 | -163.9 | -175.3 | -150.4 | 123.2 | 1.4 | 111.3 | A132 A133 L134 R139 | A132-R136 PolarHBondContact O-N 3.33Å; A132-R136 VanDerWaalsContact O-N 3.12Å; A133-R136 WeakPolarHBondContact O-CB 3.13Å; A133-R136 PolarHBondContact O-N 3.22Å; L134-R136 VanDerWaalsContact C-N 3.32Å; L134-R136 PolarHBondContact O-N 3.11Å; R136-R139 PolarHBondContact O-N 2.91Å |
| 137 | Q | 70.4 | Confident | 74.3 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.6 | -35.4 | 179.6 | -76.7 | -172.1 | 12.8 | 0 | 0 | 113.3 | A133 L134 R135 R139 Q140 Y145 V149 | A133-Q137 WeakPolarHBondContact O-CB 3.29Å; A133-Q137 VanDerWaalsContact O-CG 3.29Å; A133-Q137 WeakPolarHBondContact O-CG 3.26Å; A133-Q137 PolarHBondContact O-N 2.97Å; L134-Q137 PolarHBondContact O-N 3.24Å; R135-Q137 VanDerWaalsContact C-N 3.35Å; Q137-R139 PolarHBondContact O-N 3.35Å; Q137-Q140 VanDerWaalsContact O-CB 3.31Å; Q137-Q140 WeakPolarHBondContact O-CB 3.26Å; Q137-Q140 WeakPolarHBondContact O-CG 3.31Å; Q137-Q140 PolarHBondContact O-N 2.84Å; Q137-Y145 HydrophobicContact CB-CE1 3.81Å; Q137-Y145 HydrophobicContact CG-CE1 3.97Å; Q137-Y145 WeakPolarHBondContact CG-OH 3.43Å; Q137-Y145 PolarHBondContact NE2-OH 2.91Å; Q137-Y145 PolarHBondContact OE1-OH 3.38Å; Q137-V149 HydrophobicContact CB-CG2 4.23Å |
| 138 | L | 73.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.7 | -17.4 | 172 | -73.8 | 170.9 | 0 | 0 | 0 | 113.4 | L134 R146 V149 L150 M153 F171 Q181 | L134-L138 PolarHBondContact O-N 3.45Å; L138-R146 WeakPolarHBondContact O-CD 2.94Å; L138-V149 HydrophobicContact CD2-CB 4.22Å; L138-V149 HydrophobicContact CD2-CG1 3.8Å; L138-V149 HydrophobicContact CG-CG1 4.06Å; L138-L150 HydrophobicContact CD2-CD2 4.48Å; L138-L150 HydrophobicContact CD2-CG 4.36Å; L138-M153 HydrophobicContact CD1-SD 4.47Å; L138-F171 HydrophobicContact CD1-CE2 4.32Å; L138-F171 HydrophobicContact CD1-CZ 3.79Å; L138-Q181 PolarHBondContact O-NE2 3.06Å |
| 139 | R | 75.6 | Confident | 74.3 | Confident | 163 Ų | 163 | 66.9 Ų | 66.9 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 3.5 | 174.8 | -66.6 | -179.7 | -177.5 | -178.2 | 2.5 | 113.8 | R135 R136 Q137 A177 | R135-R139 WeakPolarHBondContact O-CG 3.4Å; R135-R139 PolarHBondContact O-N 3.27Å; R136-R139 PolarHBondContact O-N 2.91Å; Q137-R139 PolarHBondContact O-N 3.35Å; R139-A177 HydrophobicContact CG-CB 4.28Å |
| 140 | Q | 72.5 | Confident | 74.5 | Confident | 75 Ų | 75 | 59.7 Ų | 59.7 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | trans | -64.9 | 141.4 | 176.2 | -76.8 | -92.7 | -16.6 | 0 | 0 | 111.2 | Q137 T142 Y145 R146 | Q137-Q140 VanDerWaalsContact O-CB 3.31Å; Q137-Q140 WeakPolarHBondContact O-CB 3.26Å; Q137-Q140 WeakPolarHBondContact O-CG 3.31Å; Q137-Q140 PolarHBondContact O-N 2.84Å; Q140-T142 VanDerWaalsContact C-N 3.29Å; Q140-T142 PolarHBondContact O-N 3.21Å; Q140-Y145 HydrophobicContact CB-CD1 3.87Å; Q140-Y145 HydrophobicContact CB-CE1 4.36Å; Q140-Y145 HydrophobicContact CG-CD1 3.95Å; Q140-Y145 HydrophobicContact CG-CE1 3.95Å; Q140-R146 WeakPolarHBondContact O-CD 3.43Å; Q140-R146 WeakPolarHBondContact O-CG 3.4Å; Q140-R146 PolarHBondContact O-NE 3.49Å | ||
| 141 | P | 68.1 | Low | 74.9 | Confident | 109 Ų | 109 | 57.5 Ų | 57.5 | 71% | 0.708 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -63.4 | -34.1 | -176.5 | 22.6 | -31.3 | 0 | 0 | 0 | 112.8 | V143 R146 | P141-V143 PolarHBondContact O-N 3.02Å; P141-R146 PolarHBondContact O-NH2 2.96Å |
| 142 | T | 75.6 | Confident | 75.7 | Confident | 75 Ų | 75 | 57 Ų | 57 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | trans | -71.3 | 114.6 | -174.7 | -42 | 0 | 0 | 0 | 0 | 112.5 | Q140 A144 Y145 R146 | Q140-T142 VanDerWaalsContact C-N 3.29Å; Q140-T142 PolarHBondContact O-N 3.21Å; T142-A144 PolarHBondContact O-N 3.18Å; T142-Y145 WeakPolarHBondContact O-CB 3.39Å; T142-Y145 PolarHBondContact O-N 3.1Å; T142-R146 PolarHBondContact O-N 2.93Å | ||
| 143 | V | 75.8 | Confident | 76.4 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 33% | 0.327 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | -179.3 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | P141 Y145 R146 N147 T186 L187 | P141-V143 PolarHBondContact O-N 3.02Å; V143-Y145 PolarHBondContact O-N 3.49Å; V143-R146 VanDerWaalsContact CG2-NH2 3.27Å; V143-R146 PolarHBondContact O-N 2.85Å; V143-N147 WeakPolarHBondContact O-CB 3.42Å; V143-N147 PolarHBondContact O-N 3.46Å; V143-T186 VanDerWaalsContact CG1-OG1 3.29Å; V143-T186 WeakPolarHBondContact CG1-OG1 3.49Å; V143-L187 HydrophobicContact CG1-CD2 4.01Å; V143-L187 HydrophobicContact CG1-CG 4.18Å |
| 144 | A | 71.6 | Confident | 77.3 | Confident | 65 Ų | 65 | 52.3 Ų | 52.3 | 54% | 0.537 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.1 | -34.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T142 M148 | T142-A144 PolarHBondContact O-N 3.18Å; A144-M148 PolarHBondContact O-N 3.07Å |
| 145 | Y | 72.4 | Confident | 77.9 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.4 | -48.1 | 177.4 | -173.8 | -91.4 | 0 | 0 | 0 | 111.5 | V95 H96 L99 Q137 Q140 T142 V143 N147 M148 V149 | V95-Y145 HydrophobicContact CB-CE2 4.04Å; V95-Y145 HydrophobicContact CG1-CE2 3.73Å; V95-Y145 WeakPolarHBondContact CG1-OH 3.43Å; H96-Y145 HydrophobicContact CB-CD2 4.48Å; L99-Y145 HydrophobicContact CD1-CE2 3.84Å; Q137-Y145 HydrophobicContact CB-CE1 3.81Å; Q137-Y145 HydrophobicContact CG-CE1 3.97Å; Q137-Y145 WeakPolarHBondContact CG-OH 3.43Å; Q137-Y145 PolarHBondContact NE2-OH 2.91Å; Q137-Y145 PolarHBondContact OE1-OH 3.38Å; Q140-Y145 HydrophobicContact CB-CD1 3.87Å; Q140-Y145 HydrophobicContact CB-CE1 4.36Å; Q140-Y145 HydrophobicContact CG-CD1 3.95Å; Q140-Y145 HydrophobicContact CG-CE1 3.95Å; T142-Y145 WeakPolarHBondContact O-CB 3.39Å; T142-Y145 PolarHBondContact O-N 3.1Å; V143-Y145 PolarHBondContact O-N 3.49Å; Y145-N147 VanDerWaalsContact C-N 3.29Å; Y145-N147 PolarHBondContact O-N 3.06Å; Y145-M148 WeakPolarHBondContact O-CB 3.41Å; Y145-M148 PolarHBondContact O-N 2.62Å; Y145-V149 HydrophobicContact CD1-CG2 4.31Å; Y145-V149 HydrophobicContact CE1-CG2 3.89Å; Y145-V149 WeakPolarHBondContact O-CG2 3.43Å; Y145-V149 PolarHBondContact O-N 2.96Å |
| 146 | R | 79.5 | Confident | 78.5 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 13% | 0.125 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -41.4 | 173.6 | -70.2 | -176.4 | -85.9 | 147.9 | -6.4 | 112.1 | L138 Q140 P141 T142 V143 M148 V149 L150 D184 L187 | L138-R146 WeakPolarHBondContact O-CD 2.94Å; Q140-R146 WeakPolarHBondContact O-CD 3.43Å; Q140-R146 WeakPolarHBondContact O-CG 3.4Å; Q140-R146 PolarHBondContact O-NE 3.49Å; P141-R146 PolarHBondContact O-NH2 2.96Å; T142-R146 PolarHBondContact O-N 2.93Å; V143-R146 VanDerWaalsContact CG2-NH2 3.27Å; V143-R146 PolarHBondContact O-N 2.85Å; R146-M148 VanDerWaalsContact C-N 3.34Å; R146-V149 PolarHBondContact O-N 3.17Å; R146-L150 PolarHBondContact O-N 3.36Å; R146-D184 IonicContact CZ-OD2 3.5Å; R146-D184 IonicContact NH1-OD2 3.4Å; R146-D184 PolarHBondContact NH1-OD2 3.03Å; R146-D184 IonicContact NH2-OD2 3.5Å; R146-L187 HydrophobicContact CB-CD1 3.87Å; R146-L187 HydrophobicContact CB-CD2 4.4Å; R146-L187 VanDerWaalsContact NH1-CD1 3.31Å |
| 147 | N | 81.6 | Confident | 79 | Confident | 53 Ų | 53 | 38.9 Ų | 38.9 | 28% | 0.283 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.7 | -40.8 | 174.8 | -167.5 | 10.6 | 0 | 0 | 0 | 111.5 | V143 Y145 L150 K151 L187 | V143-N147 WeakPolarHBondContact O-CB 3.42Å; V143-N147 PolarHBondContact O-N 3.46Å; Y145-N147 VanDerWaalsContact C-N 3.29Å; Y145-N147 PolarHBondContact O-N 3.06Å; N147-L150 PolarHBondContact O-N 3.47Å; N147-K151 WeakPolarHBondContact O-CG 3.13Å; N147-K151 PolarHBondContact O-N 2.96Å; N147-L187 HydrophobicContact CB-CD2 3.73Å |
| 148 | M | 81.5 | Confident | 79.8 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 177.3 | -161.5 | 62.3 | -178.3 | 0 | 0 | 112.5 | L99 S100 F103 A144 Y145 R146 K151 V152 | L99-M148 HydrophobicContact CB-CG 4.03Å; S100-M148 WeakPolarHBondContact OG-CE 3.37Å; F103-M148 HydrophobicContact CB-CE 3.65Å; F103-M148 HydrophobicContact CD1-CE 4.19Å; F103-M148 HydrophobicContact CG-CE 4.01Å; A144-M148 PolarHBondContact O-N 3.07Å; Y145-M148 WeakPolarHBondContact O-CB 3.41Å; Y145-M148 PolarHBondContact O-N 2.62Å; R146-M148 VanDerWaalsContact C-N 3.34Å; M148-K151 PolarHBondContact O-N 2.69Å; M148-K151 HydrophobicContact SD-CD 4.22Å; M148-V152 WeakPolarHBondContact O-CG2 3.45Å; M148-V152 PolarHBondContact O-N 3.29Å |
| 149 | V | 82.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 173.3 | 177 | 0 | 0 | 0 | 0 | 110.5 | L99 L134 Q137 L138 Y145 R146 K151 V152 M153 | L99-V149 HydrophobicContact CD1-CG2 3.8Å; L134-V149 HydrophobicContact CD2-CG1 4.26Å; Q137-V149 HydrophobicContact CB-CG2 4.23Å; L138-V149 HydrophobicContact CD2-CB 4.22Å; L138-V149 HydrophobicContact CD2-CG1 3.8Å; L138-V149 HydrophobicContact CG-CG1 4.06Å; Y145-V149 HydrophobicContact CD1-CG2 4.31Å; Y145-V149 HydrophobicContact CE1-CG2 3.89Å; Y145-V149 WeakPolarHBondContact O-CG2 3.43Å; Y145-V149 PolarHBondContact O-N 2.96Å; R146-V149 PolarHBondContact O-N 3.17Å; V149-K151 VanDerWaalsContact C-N 3.34Å; V149-K151 PolarHBondContact O-N 3.24Å; V149-V152 PolarHBondContact O-N 3.43Å; V149-M153 HydrophobicContact CG1-CG 4.45Å; V149-M153 HydrophobicContact CG1-SD 4.24Å; V149-M153 WeakPolarHBondContact O-CG 3.4Å; V149-M153 PolarHBondContact O-N 2.98Å |
| 150 | L | 83.7 | Confident | 80.7 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 175.1 | -75.5 | 168.9 | 0 | 0 | 0 | 112.1 | L138 R146 N147 M153 T154 L178 L187 | L138-L150 HydrophobicContact CD2-CD2 4.48Å; L138-L150 HydrophobicContact CD2-CG 4.36Å; R146-L150 PolarHBondContact O-N 3.36Å; N147-L150 PolarHBondContact O-N 3.47Å; L150-M153 PolarHBondContact O-N 3.22Å; L150-T154 VanDerWaalsContact O-CB 3.3Å; L150-T154 WeakPolarHBondContact O-CB 3.36Å; L150-T154 PolarHBondContact O-N 3.47Å; L150-T154 PolarHBondContact O-OG1 3.1Å; L150-L178 HydrophobicContact CD2-CD1 3.95Å; L150-L187 HydrophobicContact CD1-CB 4.31Å; L150-L187 HydrophobicContact CD1-CD2 4.14Å |
| 151 | K | 84 | Confident | 81.4 | Confident | 97 Ų | 97 | 29.6 Ų | 29.6 | 42% | 0.422 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 175.2 | -76.3 | -178.8 | 179.9 | -175 | 0 | 112.3 | F103 N147 M148 V149 T154 S155 | F103-K151 HydrophobicContact CD2-CB 3.86Å; F103-K151 HydrophobicContact CE2-CB 3.87Å; N147-K151 WeakPolarHBondContact O-CG 3.13Å; N147-K151 PolarHBondContact O-N 2.96Å; M148-K151 PolarHBondContact O-N 2.69Å; M148-K151 HydrophobicContact SD-CD 4.22Å; V149-K151 VanDerWaalsContact C-N 3.34Å; V149-K151 PolarHBondContact O-N 3.24Å; K151-T154 PolarHBondContact O-N 2.98Å; K151-S155 WeakPolarHBondContact O-CB 3.42Å; K151-S155 PolarHBondContact O-N 2.99Å; K151-S155 PolarHBondContact O-OG 3.39Å |
| 152 | V | 83.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L99 I102 F103 F106 F127 M148 V149 T154 S155 G156 | L99-V152 HydrophobicContact CB-CG2 4.15Å; L99-V152 HydrophobicContact CD2-CG2 4.18Å; L99-V152 VanDerWaalsContact O-CG2 3.28Å; L99-V152 WeakPolarHBondContact O-CG2 3.5Å; I102-V152 HydrophobicContact CG2-CG1 3.76Å; F103-V152 HydrophobicContact CB-CG2 3.8Å; F106-V152 HydrophobicContact CD2-CG1 4.16Å; F106-V152 HydrophobicContact CE2-CG1 3.9Å; F127-V152 HydrophobicContact CD1-CG1 4.36Å; F127-V152 HydrophobicContact CE1-CG1 3.61Å; F127-V152 HydrophobicContact CZ-CG1 3.75Å; M148-V152 WeakPolarHBondContact O-CG2 3.45Å; M148-V152 PolarHBondContact O-N 3.29Å; V149-V152 PolarHBondContact O-N 3.43Å; V152-T154 VanDerWaalsContact C-N 3.31Å; V152-T154 PolarHBondContact O-N 2.87Å; V152-S155 PolarHBondContact O-OG 3.43Å; V152-G156 PolarHBondContact O-N 3.49Å |
| 153 | M | 86.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.8 | -37.6 | 176.4 | -70.7 | -176.1 | 73.4 | 0 | 0 | 111.8 | L138 V149 L150 A157 L167 F171 F194 | L138-M153 HydrophobicContact CD1-SD 4.47Å; V149-M153 HydrophobicContact CG1-CG 4.45Å; V149-M153 HydrophobicContact CG1-SD 4.24Å; V149-M153 WeakPolarHBondContact O-CG 3.4Å; V149-M153 PolarHBondContact O-N 2.98Å; L150-M153 PolarHBondContact O-N 3.22Å; M153-A157 VanDerWaalsContact O-CB 3.27Å; M153-A157 WeakPolarHBondContact O-CB 3.27Å; M153-A157 PolarHBondContact O-N 3.22Å; M153-L167 HydrophobicContact CE-CD1 3.73Å; M153-F171 HydrophobicContact CE-CD1 4Å; M153-F171 HydrophobicContact CE-CD2 4.49Å; M153-F171 HydrophobicContact CE-CE1 3.93Å; M153-F171 HydrophobicContact CE-CE2 4.43Å; M153-F171 HydrophobicContact CE-CG 4.29Å; M153-F171 HydrophobicContact CE-CZ 4.16Å; M153-F194 HydrophobicContact CB-CD2 3.96Å; M153-F194 HydrophobicContact CB-CE2 3.61Å; M153-F194 HydrophobicContact CB-CZ 4.37Å; M153-F194 HydrophobicContact CE-CE1 4.4Å; M153-F194 HydrophobicContact CE-CE2 4.02Å; M153-F194 HydrophobicContact CE-CZ 3.61Å |
| 154 | T | 86.4 | Confident | 83.2 | Confident | 19 Ų | 19 | 22.2 Ų | 22.2 | 12% | 0.117 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.8 | -49.5 | 177.4 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | L150 K151 V152 G156 A157 S158 F194 V197 | L150-T154 VanDerWaalsContact O-CB 3.3Å; L150-T154 WeakPolarHBondContact O-CB 3.36Å; L150-T154 PolarHBondContact O-N 3.47Å; L150-T154 PolarHBondContact O-OG1 3.1Å; K151-T154 PolarHBondContact O-N 2.98Å; V152-T154 VanDerWaalsContact C-N 3.31Å; V152-T154 PolarHBondContact O-N 2.87Å; T154-G156 VanDerWaalsContact C-N 3.34Å; T154-G156 PolarHBondContact O-N 3.07Å; T154-A157 PolarHBondContact O-N 3.19Å; T154-S158 PolarHBondContact O-N 2.85Å; T154-F194 WeakPolarHBondContact OG1-CB 3.4Å; T154-V197 HydrophobicContact CG2-CB 3.92Å; T154-V197 HydrophobicContact CG2-CG1 4.21Å; T154-V197 HydrophobicContact CG2-CG2 3.64Å; T154-V197 WeakPolarHBondContact O-CG1 3.42Å |
| 155 | S | 83.6 | Confident | 83.9 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 6% | 0.063 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.8 | -37.9 | 177.5 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | F103 F106 K151 V152 S158 | F103-S155 WeakPolarHBondContact CD2-OG 3.27Å; F106-S155 WeakPolarHBondContact CB-OG 3.34Å; K151-S155 WeakPolarHBondContact O-CB 3.42Å; K151-S155 PolarHBondContact O-N 2.99Å; K151-S155 PolarHBondContact O-OG 3.39Å; V152-S155 PolarHBondContact O-OG 3.43Å; S155-S158 WeakPolarHBondContact O-CB 3.18Å; S155-S158 PolarHBondContact O-N 3.37Å; S155-S158 PolarHBondContact O-OG 3.39Å |
| 156 | G | 85.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F124 V152 T154 S158 L159 A163 | F124-G156 VanDerWaalsContact CE1-C 3.41Å; F124-G156 WeakPolarHBondContact CE1-O 3.3Å; F124-G156 VanDerWaalsContact CE2-CA 3.48Å; F124-G156 VanDerWaalsContact CZ-C 3.45Å; V152-G156 PolarHBondContact O-N 3.49Å; T154-G156 VanDerWaalsContact C-N 3.34Å; T154-G156 PolarHBondContact O-N 3.07Å; G156-S158 PolarHBondContact O-N 3.29Å; G156-L159 VanDerWaalsContact O-CB 3.26Å; G156-L159 WeakPolarHBondContact O-CB 3.29Å; G156-L159 WeakPolarHBondContact O-CG 3.49Å; G156-L159 PolarHBondContact O-N 3.18Å; G156-L159 VanDerWaalsContact O-N 3.14Å; G156-A163 WeakPolarHBondContact O-CB 3.47Å |
| 157 | A | 86 | Confident | 84.7 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.7 | -32 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M153 T154 L159 G160 V164 L167 V197 V198 F201 | M153-A157 VanDerWaalsContact O-CB 3.27Å; M153-A157 WeakPolarHBondContact O-CB 3.27Å; M153-A157 PolarHBondContact O-N 3.22Å; T154-A157 PolarHBondContact O-N 3.19Å; A157-L159 PolarHBondContact O-N 3.5Å; A157-G160 PolarHBondContact O-N 2.8Å; A157-V164 HydrophobicContact CB-CG2 4.17Å; A157-L167 HydrophobicContact CB-CD2 4.48Å; A157-V197 HydrophobicContact CB-CG1 3.95Å; A157-V198 HydrophobicContact CB-CG2 4.03Å; A157-F201 WeakPolarHBondContact O-CB 3.45Å |
| 158 | S | 85.4 | Confident | 84.8 | Confident | 19 Ų | 19 | 18.5 Ų | 18.5 | 13% | 0.133 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12.8 | 177.1 | 80.1 | 0 | 0 | 0 | 0 | 114.8 | S110 R117 T154 S155 G156 G160 | S110-S158 WeakPolarHBondContact CB-OG 3.28Å; R117-S158 PolarHBondContact NH2-O 3.45Å; T154-S158 PolarHBondContact O-N 2.85Å; S155-S158 WeakPolarHBondContact O-CB 3.18Å; S155-S158 PolarHBondContact O-N 3.37Å; S155-S158 PolarHBondContact O-OG 3.39Å; G156-S158 PolarHBondContact O-N 3.29Å; S158-G160 PolarHBondContact O-N 3.18Å |
| 159 | L | 84.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.4 | 177.4 | -62.9 | 172.5 | 0 | 0 | 0 | 112.9 | F106 A109 R117 A120 I121 F124 G156 A157 A163 | F106-L159 HydrophobicContact CD1-CD1 3.77Å; F106-L159 HydrophobicContact CE1-CD1 4.11Å; F106-L159 HydrophobicContact CG-CD1 4.17Å; A109-L159 HydrophobicContact CB-CD2 3.65Å; R117-L159 PolarHBondContact NE-O 3.17Å; R117-L159 PolarHBondContact NH2-O 3.05Å; A120-L159 HydrophobicContact CB-CD1 3.92Å; A120-L159 HydrophobicContact CB-CD2 3.84Å; I121-L159 HydrophobicContact CG1-CB 3.83Å; F124-L159 HydrophobicContact CB-CD1 3.92Å; F124-L159 HydrophobicContact CG-CD1 4.41Å; G156-L159 VanDerWaalsContact O-CB 3.26Å; G156-L159 WeakPolarHBondContact O-CB 3.29Å; G156-L159 WeakPolarHBondContact O-CG 3.49Å; G156-L159 PolarHBondContact O-N 3.18Å; G156-L159 VanDerWaalsContact O-N 3.14Å; A157-L159 PolarHBondContact O-N 3.5Å; L159-A163 HydrophobicContact CB-CB 4.07Å |
| 160 | G | 85.3 | Confident | 84.8 | Confident | 8 Ų | 8 | 29.8 Ų | 29.8 | 8% | 0.082 | 15% | 0.151 | C | C | . | . | trans | 132 | -174.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A157 S158 V162 A163 V164 | A157-G160 PolarHBondContact O-N 2.8Å; S158-G160 PolarHBondContact O-N 3.18Å; G160-V162 PolarHBondContact O-N 3.13Å; G160-A163 WeakPolarHBondContact O-CB 3.49Å; G160-A163 PolarHBondContact O-N 3.39Å; G160-V164 PolarHBondContact O-N 3.11Å | ||
| 161 | A | 85.8 | Confident | 84.7 | Confident | 44 Ų | 44 | 29.9 Ų | 29.9 | 36% | 0.364 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -55.1 | -42.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A163 V164 D165 F201 | A161-A163 VanDerWaalsContact C-N 3.29Å; A161-A163 PolarHBondContact O-N 2.8Å; A161-V164 PolarHBondContact O-N 2.78Å; A161-D165 PolarHBondContact O-N 3.21Å; A161-F201 WeakPolarHBondContact CA-O 3.49Å; A161-F201 PolarHBondContact N-O 2.92Å |
| 162 | V | 84.9 | Confident | 84.5 | Confident | 84 Ų | 84 | 28.3 Ų | 28.3 | 51% | 0.509 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | I121 G160 D165 D166 | I121-V162 HydrophobicContact CG2-CB 4Å; I121-V162 HydrophobicContact CG2-CG1 3.76Å; G160-V162 PolarHBondContact O-N 3.13Å; V162-D165 PolarHBondContact O-N 2.94Å; V162-D166 PolarHBondContact O-N 3.41Å |
| 163 | A | 85.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I121 F124 G156 L159 G160 A161 L167 | I121-A163 HydrophobicContact CG1-CB 4.37Å; I121-A163 HydrophobicContact CG2-CB 4.49Å; F124-A163 HydrophobicContact CD1-CB 3.47Å; F124-A163 VanDerWaalsContact CD1-CB 3.47Å; F124-A163 HydrophobicContact CE1-CB 3.79Å; F124-A163 WeakPolarHBondContact CE1-O 3.33Å; G156-A163 WeakPolarHBondContact O-CB 3.47Å; L159-A163 HydrophobicContact CB-CB 4.07Å; G160-A163 WeakPolarHBondContact O-CB 3.49Å; G160-A163 PolarHBondContact O-N 3.39Å; A161-A163 VanDerWaalsContact C-N 3.29Å; A161-A163 PolarHBondContact O-N 2.8Å; A163-L167 WeakPolarHBondContact O-CB 3.47Å; A163-L167 PolarHBondContact O-N 2.92Å |
| 164 | V | 87 | Confident | 83.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.9 | -36.3 | 176.2 | 177.8 | 0 | 0 | 0 | 0 | 112 | A157 G160 A161 L167 I168 V198 F201 A202 A206 | A157-V164 HydrophobicContact CB-CG2 4.17Å; G160-V164 PolarHBondContact O-N 3.11Å; A161-V164 PolarHBondContact O-N 2.78Å; V164-L167 WeakPolarHBondContact O-CB 3.45Å; V164-L167 PolarHBondContact O-N 2.97Å; V164-I168 HydrophobicContact CG1-CD1 3.52Å; V164-I168 HydrophobicContact CG1-CG1 4.29Å; V164-I168 WeakPolarHBondContact O-CG1 3.46Å; V164-I168 PolarHBondContact O-N 3.4Å; V164-V198 HydrophobicContact CG1-CG1 4.02Å; V164-F201 HydrophobicContact CG2-CB 3.77Å; V164-A202 HydrophobicContact CG1-CB 3.79Å; V164-A206 HydrophobicContact CG1-CB 4.38Å |
| 165 | D | 86.3 | Confident | 83.5 | Confident | 49 Ų | 49 | 30.8 Ų | 30.8 | 26% | 0.262 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 174.3 | -74.8 | -26.5 | 0 | 0 | 0 | 111.6 | A161 V162 L167 I168 R169 S203 A206 | A161-D165 PolarHBondContact O-N 3.21Å; V162-D165 PolarHBondContact O-N 2.94Å; D165-L167 VanDerWaalsContact C-N 3.32Å; D165-L167 PolarHBondContact O-N 3.07Å; D165-I168 PolarHBondContact O-N 3.44Å; D165-R169 WeakPolarHBondContact O-CB 3.38Å; D165-R169 PolarHBondContact O-N 3.03Å; D165-S203 WeakPolarHBondContact OD1-CB 3.38Å; D165-S203 PolarHBondContact OD1-OG 3.48Å; D165-S203 WeakPolarHBondContact OD2-CB 3.44Å; D165-S203 PolarHBondContact OD2-OG 3.22Å; D165-S203 VanDerWaalsContact OD2-OG 3.08Å; D165-A206 VanDerWaalsContact OD1-CB 3.25Å; D165-A206 WeakPolarHBondContact OD1-CB 3.35Å |
| 166 | D | 83.5 | Confident | 83.2 | Confident | 29 Ų | 29 | 32.7 Ų | 32.7 | 16% | 0.155 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 173.5 | -82.4 | -21.6 | 0 | 0 | 0 | 111.1 | I128 V162 I168 R169 F170 | I128-D166 HydrophobicContact CD1-CB 4.41Å; V162-D166 PolarHBondContact O-N 3.41Å; D166-I168 PolarHBondContact O-N 3.11Å; D166-R169 PolarHBondContact O-N 3.45Å; D166-F170 HydrophobicContact CB-CD2 4.41Å; D166-F170 WeakPolarHBondContact O-CD2 3.43Å; D166-F170 PolarHBondContact O-N 3.27Å |
| 167 | L | 86 | Confident | 82.6 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.9 | -51.4 | 176 | -178.1 | 65.9 | 0 | 0 | 0 | 111.8 | I128 M153 A157 A163 V164 D165 R169 F170 F171 F194 V198 | I128-L167 HydrophobicContact CD1-CB 3.76Å; I128-L167 HydrophobicContact CD1-CD1 4.01Å; I128-L167 HydrophobicContact CD1-CG 4.49Å; I128-L167 HydrophobicContact CG1-CD1 4.22Å; I128-L167 HydrophobicContact CG2-CD1 4.18Å; M153-L167 HydrophobicContact CE-CD1 3.73Å; A157-L167 HydrophobicContact CB-CD2 4.48Å; A163-L167 WeakPolarHBondContact O-CB 3.47Å; A163-L167 PolarHBondContact O-N 2.92Å; V164-L167 WeakPolarHBondContact O-CB 3.45Å; V164-L167 PolarHBondContact O-N 2.97Å; D165-L167 VanDerWaalsContact C-N 3.32Å; D165-L167 PolarHBondContact O-N 3.07Å; L167-R169 VanDerWaalsContact C-N 3.3Å; L167-R169 PolarHBondContact O-N 3.41Å; L167-F170 PolarHBondContact O-N 3.4Å; L167-F171 HydrophobicContact CD1-CB 3.95Å; L167-F171 HydrophobicContact CD1-CG 4.41Å; L167-F171 WeakPolarHBondContact O-CA 3.31Å; L167-F171 VanDerWaalsContact O-CB 3.27Å; L167-F171 WeakPolarHBondContact O-CB 3.19Å; L167-F171 PolarHBondContact O-N 2.77Å; L167-F171 VanDerWaalsContact O-O 3.12Å; L167-F194 HydrophobicContact CD2-CE2 4.04Å; L167-F194 HydrophobicContact CD2-CZ 3.91Å; L167-V198 HydrophobicContact CD2-CG2 3.64Å |
| 168 | I | 84.4 | Confident | 82.3 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.7 | -27.3 | -177.3 | -69.9 | 162 | 0 | 0 | 0 | 112 | V164 D165 D166 L173 A206 K209 I210 | V164-I168 HydrophobicContact CG1-CD1 3.52Å; V164-I168 HydrophobicContact CG1-CG1 4.29Å; V164-I168 WeakPolarHBondContact O-CG1 3.46Å; V164-I168 PolarHBondContact O-N 3.4Å; D165-I168 PolarHBondContact O-N 3.44Å; D166-I168 PolarHBondContact O-N 3.11Å; I168-L173 HydrophobicContact CG1-CD1 4.19Å; I168-A206 HydrophobicContact CD1-CB 3.25Å; I168-K209 HydrophobicContact CG2-CD 3.9Å; I168-I210 HydrophobicContact CD1-CD1 3.59Å; I168-I210 HydrophobicContact CD1-CG1 4.01Å; I168-I210 HydrophobicContact CG1-CD1 4.43Å |
| 169 | R | 82.6 | Confident | 81.9 | Confident | 187 Ų | 187 | 33.5 Ų | 33.5 | 71% | 0.706 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -70.7 | -42.4 | 176.1 | -175.1 | 177.1 | -175.7 | 175.9 | 2.7 | 112 | D165 D166 L167 | D165-R169 WeakPolarHBondContact O-CB 3.38Å; D165-R169 PolarHBondContact O-N 3.03Å; D166-R169 PolarHBondContact O-N 3.45Å; L167-R169 VanDerWaalsContact C-N 3.3Å; L167-R169 PolarHBondContact O-N 3.41Å |
| 170 | F | 81 | Confident | 81.7 | Confident | 68 Ų | 68 | 38.6 Ų | 38.6 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -105.3 | -23.2 | -171.9 | -63.7 | -67.3 | 0 | 0 | 0 | 114.4 | I128 R129 A131 D166 L167 | I128-F170 HydrophobicContact CG2-CB 3.71Å; R129-F170 HydrophobicContact CG-CD1 4.27Å; R129-F170 HydrophobicContact CG-CD2 3.88Å; R129-F170 HydrophobicContact CG-CE1 4.05Å; R129-F170 HydrophobicContact CG-CE2 3.67Å; R129-F170 HydrophobicContact CG-CG 4.2Å; R129-F170 HydrophobicContact CG-CZ 3.76Å; A131-F170 WeakPolarHBondContact CB-O 3.32Å; D166-F170 HydrophobicContact CB-CD2 4.41Å; D166-F170 WeakPolarHBondContact O-CD2 3.43Å; D166-F170 PolarHBondContact O-N 3.27Å; L167-F170 PolarHBondContact O-N 3.4Å |
| 171 | F | 80.1 | Confident | 81.4 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -118 | 132.1 | -179.6 | -167.5 | -90.6 | 0 | 0 | 0 | 111.2 | I128 A131 L134 R135 L138 M153 L167 L173 L178 | I128-F171 HydrophobicContact CG2-CB 4.27Å; A131-F171 HydrophobicContact CB-CD2 4.2Å; L134-F171 HydrophobicContact CB-CE2 4.33Å; R135-F171 HydrophobicContact CG-CE2 3.86Å; L138-F171 HydrophobicContact CD1-CE2 4.32Å; L138-F171 HydrophobicContact CD1-CZ 3.79Å; M153-F171 HydrophobicContact CE-CD1 4Å; M153-F171 HydrophobicContact CE-CD2 4.49Å; M153-F171 HydrophobicContact CE-CE1 3.93Å; M153-F171 HydrophobicContact CE-CE2 4.43Å; M153-F171 HydrophobicContact CE-CG 4.29Å; M153-F171 HydrophobicContact CE-CZ 4.16Å; L167-F171 HydrophobicContact CD1-CB 3.95Å; L167-F171 HydrophobicContact CD1-CG 4.41Å; L167-F171 WeakPolarHBondContact O-CA 3.31Å; L167-F171 VanDerWaalsContact O-CB 3.27Å; L167-F171 WeakPolarHBondContact O-CB 3.19Å; L167-F171 PolarHBondContact O-N 2.77Å; L167-F171 VanDerWaalsContact O-O 3.12Å; F171-L173 HydrophobicContact CD1-CD2 4.45Å; F171-L178 HydrophobicContact CE1-CD2 4.3Å |
| 172 | D | 80.1 | Confident | 81.1 | Confident | 65 Ų | 65 | 36.7 Ų | 36.7 | 35% | 0.348 | 19% | 0.186 | S | C | . | . | trans | -88.5 | 129 | 176.6 | -167.3 | 15.6 | 0 | 0 | 0 | 111 | D174 D175 K214 | D172-D174 PolarHBondContact OD1-N 3.18Å; D172-D175 HydrophobicContact CB-CB 4.44Å; D172-D175 VanDerWaalsContact O-CB 3.28Å; D172-D175 WeakPolarHBondContact O-CB 3.41Å; D172-D175 PolarHBondContact O-N 2.8Å; D172-K214 WeakPolarHBondContact OD1-CE 3.47Å; D172-K214 IonicContact OD1-NZ 2.92Å; D172-K214 PolarHBondContact OD1-NZ 3.11Å | ||
| 173 | L | 79.9 | Confident | 80.7 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -24.9 | -176.5 | -64.1 | 175.2 | 0 | 0 | 0 | 111.7 | I168 F171 D175 L178 F194 V198 I210 K214 I216 | I168-L173 HydrophobicContact CG1-CD1 4.19Å; F171-L173 HydrophobicContact CD1-CD2 4.45Å; L173-D175 PolarHBondContact O-N 3.21Å; L173-L178 HydrophobicContact CD2-CD2 4.33Å; L173-F194 HydrophobicContact CD2-CE1 3.97Å; L173-F194 HydrophobicContact CD2-CZ 4.1Å; L173-V198 HydrophobicContact CD1-CG1 4.15Å; L173-I210 HydrophobicContact CD1-CD1 4.15Å; L173-I210 HydrophobicContact CD1-CG1 3.98Å; L173-K214 HydrophobicContact CB-CD 4.1Å; L173-I216 HydrophobicContact CB-CD1 4.2Å; L173-I216 HydrophobicContact CB-CG2 4.44Å; L173-I216 WeakPolarHBondContact O-CD1 3.49Å |
| 174 | D | 76.2 | Confident | 80.3 | Confident | 43 Ų | 43 | 41.5 Ų | 41.5 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 4.1 | 174.3 | -79.5 | -3.7 | 0 | 0 | 0 | 112.9 | D172 A176 K214 F215 I216 | D172-D174 PolarHBondContact OD1-N 3.18Å; D174-A176 PolarHBondContact O-N 3.07Å; D174-K214 WeakPolarHBondContact OD2-CA 2.96Å; D174-F215 VanDerWaalsContact CG-N 3.35Å; D174-F215 PolarHBondContact OD1-N 3.38Å; D174-F215 VanDerWaalsContact OD1-N 3.14Å; D174-F215 PolarHBondContact OD2-N 3.34Å; D174-I216 WeakPolarHBondContact OD1-CB 3.24Å; D174-I216 PolarHBondContact OD1-N 3.04Å |
| 175 | D | 80.1 | Confident | 79.9 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 14% | 0.139 | 23% | 0.233 | C | C | . | . | trans | -53.6 | 134.3 | 179 | -165.6 | -55.6 | 0 | 0 | 0 | 110.6 | R135 D172 L173 A177 L178 T179 | R135-D175 VanDerWaalsContact CD-OD2 3.26Å; R135-D175 WeakPolarHBondContact CD-OD2 3.26Å; R135-D175 IonicContact CZ-OD2 2.87Å; R135-D175 IonicContact NE-OD2 3.41Å; R135-D175 PolarHBondContact NE-OD2 2.67Å; R135-D175 IonicContact NH2-OD2 2.73Å; D172-D175 HydrophobicContact CB-CB 4.44Å; D172-D175 VanDerWaalsContact O-CB 3.28Å; D172-D175 WeakPolarHBondContact O-CB 3.41Å; D172-D175 PolarHBondContact O-N 2.8Å; L173-D175 PolarHBondContact O-N 3.21Å; D175-A177 PolarHBondContact O-N 3.28Å; D175-A177 VanDerWaalsContact O-N 3.1Å; D175-A177 VanDerWaalsContact OD1-CB 3.3Å; D175-A177 WeakPolarHBondContact OD1-CB 3.36Å; D175-A177 PolarHBondContact OD1-N 3.22Å; D175-L178 PolarHBondContact O-N 3.44Å; D175-T179 PolarHBondContact O-N 2.7Å; D175-T179 PolarHBondContact O-OG1 3.26Å | ||
| 176 | A | 77.3 | Confident | 79.4 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 41% | 0.405 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -50.3 | -36.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | D174 L178 T179 E180 | D174-A176 PolarHBondContact O-N 3.07Å; A176-L178 VanDerWaalsContact C-N 3.3Å; A176-L178 PolarHBondContact O-N 3.21Å; A176-T179 VanDerWaalsContact CA-OG1 3.28Å; A176-T179 WeakPolarHBondContact CA-OG1 3.48Å; A176-T179 PolarHBondContact O-N 3.43Å; A176-T179 PolarHBondContact O-OG1 3.01Å; A176-E180 VanDerWaalsContact O-CB 3.31Å; A176-E180 WeakPolarHBondContact O-CB 3.48Å; A176-E180 VanDerWaalsContact O-CG 3.3Å; A176-E180 WeakPolarHBondContact O-CG 3.31Å; A176-E180 PolarHBondContact O-N 2.92Å |
| 177 | A | 73.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -32.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R139 D175 Q181 | R139-A177 HydrophobicContact CG-CB 4.28Å; D175-A177 PolarHBondContact O-N 3.28Å; D175-A177 VanDerWaalsContact O-N 3.1Å; D175-A177 VanDerWaalsContact OD1-CB 3.3Å; D175-A177 WeakPolarHBondContact OD1-CB 3.36Å; D175-A177 PolarHBondContact OD1-N 3.22Å; A177-Q181 VanDerWaalsContact O-CG 3.3Å; A177-Q181 WeakPolarHBondContact O-CG 3.23Å; A177-Q181 PolarHBondContact O-NE2 3.18Å |
| 178 | L | 78.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -87.7 | -42.7 | 175.2 | -178.6 | 64.9 | 0 | 0 | 0 | 111.1 | L150 F171 L173 D175 A176 E180 Q181 F194 I216 | L150-L178 HydrophobicContact CD2-CD1 3.95Å; F171-L178 HydrophobicContact CE1-CD2 4.3Å; L173-L178 HydrophobicContact CD2-CD2 4.33Å; D175-L178 PolarHBondContact O-N 3.44Å; A176-L178 VanDerWaalsContact C-N 3.3Å; A176-L178 PolarHBondContact O-N 3.21Å; L178-E180 VanDerWaalsContact C-N 3.31Å; L178-E180 PolarHBondContact O-N 3.03Å; L178-Q181 WeakPolarHBondContact O-CB 3.25Å; L178-Q181 PolarHBondContact O-N 2.9Å; L178-Q181 VanDerWaalsContact O-N 3.11Å; L178-F194 HydrophobicContact CD1-CD1 4.29Å; L178-F194 HydrophobicContact CD1-CE1 4.33Å; L178-F194 HydrophobicContact CD2-CD1 4.25Å; L178-F194 HydrophobicContact CD2-CE1 3.73Å; L178-I216 HydrophobicContact CD2-CD1 3.84Å |
| 179 | T | 77.6 | Confident | 78.7 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68 | -27.5 | -176.8 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | D175 A176 Q181 | D175-T179 PolarHBondContact O-N 2.7Å; D175-T179 PolarHBondContact O-OG1 3.26Å; A176-T179 VanDerWaalsContact CA-OG1 3.28Å; A176-T179 WeakPolarHBondContact CA-OG1 3.48Å; A176-T179 PolarHBondContact O-N 3.43Å; A176-T179 PolarHBondContact O-OG1 3.01Å; T179-Q181 VanDerWaalsContact C-N 3.33Å |
| 180 | E | 79.9 | Confident | 78.6 | Confident | 108 Ų | 108 | 42.7 Ų | 42.7 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -66.8 | -31.5 | 171.2 | -78.7 | -177.7 | 166.2 | 0 | 0 | 112.9 | A176 L178 F182 K183 | A176-E180 VanDerWaalsContact O-CB 3.31Å; A176-E180 WeakPolarHBondContact O-CB 3.48Å; A176-E180 VanDerWaalsContact O-CG 3.3Å; A176-E180 WeakPolarHBondContact O-CG 3.31Å; A176-E180 PolarHBondContact O-N 2.92Å; L178-E180 VanDerWaalsContact C-N 3.31Å; L178-E180 PolarHBondContact O-N 3.03Å; E180-F182 PolarHBondContact O-N 3.33Å; E180-K183 WeakPolarHBondContact O-CB 3.34Å; E180-K183 PolarHBondContact O-N 3.48Å |
| 181 | Q | 80.5 | Confident | 78.7 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -66.3 | -22 | -178.8 | -51.3 | -51.8 | -45.8 | 0 | 0 | 112.7 | L138 A177 L178 T179 K183 D184 L187 C191 | L138-Q181 PolarHBondContact O-NE2 3.06Å; A177-Q181 VanDerWaalsContact O-CG 3.3Å; A177-Q181 WeakPolarHBondContact O-CG 3.23Å; A177-Q181 PolarHBondContact O-NE2 3.18Å; L178-Q181 WeakPolarHBondContact O-CB 3.25Å; L178-Q181 PolarHBondContact O-N 2.9Å; L178-Q181 VanDerWaalsContact O-N 3.11Å; T179-Q181 VanDerWaalsContact C-N 3.33Å; Q181-K183 PolarHBondContact O-N 2.79Å; Q181-D184 PolarHBondContact O-N 3.01Å; Q181-L187 HydrophobicContact CB-CB 4.41Å; Q181-L187 HydrophobicContact CB-CD1 4.5Å; Q181-C191 WeakPolarHBondContact CB-SG 3.39Å |
| 182 | F | 78.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -65 | -25.5 | 172.4 | -75.9 | -88.6 | 0 | 0 | 0 | 113.2 | E180 R188 C191 I192 V195 I216 M220 | E180-F182 PolarHBondContact O-N 3.33Å; F182-R188 PolarHBondContact O-NE 2.99Å; F182-R188 VanDerWaalsContact O-NE 3.08Å; F182-C191 HydrophobicContact CD1-CB 4.01Å; F182-C191 HydrophobicContact CD2-CB 4.22Å; F182-C191 HydrophobicContact CE1-CB 3.75Å; F182-C191 HydrophobicContact CE2-CB 3.98Å; F182-C191 HydrophobicContact CG-CB 4.25Å; F182-C191 HydrophobicContact CZ-CB 3.73Å; F182-I192 HydrophobicContact CD1-CG1 4.43Å; F182-I192 HydrophobicContact CE1-CG1 4.03Å; F182-V195 HydrophobicContact CZ-CG2 3.9Å; F182-I216 HydrophobicContact CE2-CD1 4.13Å; F182-I216 HydrophobicContact CE2-CG1 4.36Å; F182-I216 HydrophobicContact CZ-CD1 4.39Å; F182-I216 HydrophobicContact CZ-CG1 4.36Å; F182-M220 HydrophobicContact CE1-CB 4.35Å |
| 183 | K | 77.3 | Confident | 79.1 | Confident | 143 Ų | 143 | 39.6 Ų | 39.6 | 62% | 0.622 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73 | -35.1 | 176.4 | -63.5 | 179.1 | -179.3 | 172 | 0 | 111 | E180 Q181 S185 R188 | E180-K183 WeakPolarHBondContact O-CB 3.34Å; E180-K183 PolarHBondContact O-N 3.48Å; Q181-K183 PolarHBondContact O-N 2.79Å; K183-S185 PolarHBondContact O-N 2.98Å; K183-R188 PolarHBondContact O-NH2 3.49Å; K183-R188 VanDerWaalsContact O-NH2 3.09Å |
| 184 | D | 77 | Confident | 79.4 | Confident | 42 Ų | 42 | 39.4 Ų | 39.4 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -68.1 | 118.9 | 179.1 | -167.2 | -28.7 | 0 | 0 | 0 | 110.1 | R146 Q181 T186 L187 R188 | R146-D184 IonicContact CZ-OD2 3.5Å; R146-D184 IonicContact NH1-OD2 3.4Å; R146-D184 PolarHBondContact NH1-OD2 3.03Å; R146-D184 IonicContact NH2-OD2 3.5Å; Q181-D184 PolarHBondContact O-N 3.01Å; D184-T186 PolarHBondContact O-N 3.43Å; D184-T186 PolarHBondContact OD1-N 3.14Å; D184-T186 VanDerWaalsContact OD1-N 3.16Å; D184-T186 PolarHBondContact OD1-OG1 3.31Å; D184-L187 HydrophobicContact CB-CB 4.32Å; D184-L187 HydrophobicContact CB-CD1 4.47Å; D184-L187 PolarHBondContact O-N 3.05Å; D184-R188 WeakPolarHBondContact O-CB 3.49Å; D184-R188 PolarHBondContact O-N 2.99Å |
| 185 | S | 77.2 | Confident | 79.8 | Confident | 92 Ų | 92 | 37.7 Ų | 37.7 | 64% | 0.643 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -29.1 | -175.5 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | K183 | K183-S185 PolarHBondContact O-N 2.98Š|
| 186 | T | 76.3 | Confident | 80 | Confident | 85 Ų | 85 | 37 Ų | 37 | 52% | 0.521 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -29.9 | -178.4 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | V143 D184 | V143-T186 VanDerWaalsContact CG1-OG1 3.29Å; V143-T186 WeakPolarHBondContact CG1-OG1 3.49Å; D184-T186 PolarHBondContact O-N 3.43Å; D184-T186 PolarHBondContact OD1-N 3.14Å; D184-T186 VanDerWaalsContact OD1-N 3.16Å; D184-T186 PolarHBondContact OD1-OG1 3.31Å |
| 187 | L | 78.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -15.3 | -177.5 | -62.7 | 173.7 | 0 | 0 | 0 | 112.8 | V143 R146 N147 L150 Q181 D184 D189 G190 C191 | V143-L187 HydrophobicContact CG1-CD2 4.01Å; V143-L187 HydrophobicContact CG1-CG 4.18Å; R146-L187 HydrophobicContact CB-CD1 3.87Å; R146-L187 HydrophobicContact CB-CD2 4.4Å; R146-L187 VanDerWaalsContact NH1-CD1 3.31Å; N147-L187 HydrophobicContact CB-CD2 3.73Å; L150-L187 HydrophobicContact CD1-CB 4.31Å; L150-L187 HydrophobicContact CD1-CD2 4.14Å; Q181-L187 HydrophobicContact CB-CB 4.41Å; Q181-L187 HydrophobicContact CB-CD1 4.5Å; D184-L187 HydrophobicContact CB-CB 4.32Å; D184-L187 HydrophobicContact CB-CD1 4.47Å; D184-L187 PolarHBondContact O-N 3.05Å; L187-D189 VanDerWaalsContact C-N 3.34Å; L187-D189 PolarHBondContact O-N 3.2Å; L187-G190 CarbonylContact O-C 3.52Å; L187-G190 WeakPolarHBondContact O-CA 3.46Å; L187-G190 PolarHBondContact O-N 3.21Å; L187-C191 PolarHBondContact O-N 2.97Å; L187-C191 PolarHBondContact O-SG 3.48Å; L187-C191 VanDerWaalsContact O-SG 3.35Å |
| 188 | R | 80.9 | Confident | 80.9 | Confident | 44 Ų | 44 | 35.7 Ų | 35.7 | 17% | 0.166 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -49 | -50.7 | -179.7 | -173.2 | 176 | -57.5 | 178.2 | 11.7 | 113 | F182 K183 D184 G190 C191 I192 S226 | F182-R188 PolarHBondContact O-NE 2.99Å; F182-R188 VanDerWaalsContact O-NE 3.08Å; K183-R188 PolarHBondContact O-NH2 3.49Å; K183-R188 VanDerWaalsContact O-NH2 3.09Å; D184-R188 WeakPolarHBondContact O-CB 3.49Å; D184-R188 PolarHBondContact O-N 2.99Å; R188-G190 VanDerWaalsContact C-N 3.32Å; R188-G190 PolarHBondContact O-N 2.81Å; R188-C191 PolarHBondContact O-N 3.13Å; R188-I192 HydrophobicContact CG-CD1 3.97Å; R188-I192 WeakPolarHBondContact O-CG1 3.34Å; R188-I192 PolarHBondContact O-N 3.17Å; R188-S226 PolarHBondContact NH1-OG 3.12Å |
| 189 | D | 80.7 | Confident | 81.2 | Confident | 58 Ų | 58 | 36.3 Ų | 36.3 | 31% | 0.31 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.6 | -38.9 | -179.9 | -78.6 | 19.8 | 0 | 0 | 0 | 111.5 | L187 I192 N193 S227 S228 L231 | L187-D189 VanDerWaalsContact C-N 3.34Å; L187-D189 PolarHBondContact O-N 3.2Å; D189-I192 PolarHBondContact O-N 3.13Å; D189-N193 WeakPolarHBondContact O-CB 3.21Å; D189-N193 PolarHBondContact O-N 3.41Å; D189-S227 WeakPolarHBondContact OD1-CB 3.48Å; D189-S228 PolarHBondContact OD2-OG 2.93Å; D189-L231 HydrophobicContact CB-CD2 3.85Å |
| 190 | G | 80.1 | Confident | 81.4 | Confident | 20 Ų | 20 | 43.4 Ų | 43.4 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L187 R188 F194 | L187-G190 CarbonylContact O-C 3.52Å; L187-G190 WeakPolarHBondContact O-CA 3.46Å; L187-G190 PolarHBondContact O-N 3.21Å; R188-G190 VanDerWaalsContact C-N 3.32Å; R188-G190 PolarHBondContact O-N 2.81Å; G190-F194 WeakPolarHBondContact O-CB 3.42Å; G190-F194 PolarHBondContact O-N 3.19Å |
| 191 | C | 83.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68 | -41.7 | 177.2 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | Q181 F182 L187 R188 F194 V195 | Q181-C191 WeakPolarHBondContact CB-SG 3.39Å; F182-C191 HydrophobicContact CD1-CB 4.01Å; F182-C191 HydrophobicContact CD2-CB 4.22Å; F182-C191 HydrophobicContact CE1-CB 3.75Å; F182-C191 HydrophobicContact CE2-CB 3.98Å; F182-C191 HydrophobicContact CG-CB 4.25Å; F182-C191 HydrophobicContact CZ-CB 3.73Å; L187-C191 PolarHBondContact O-N 2.97Å; L187-C191 PolarHBondContact O-SG 3.48Å; L187-C191 VanDerWaalsContact O-SG 3.35Å; R188-C191 PolarHBondContact O-N 3.13Å; C191-F194 PolarHBondContact O-N 3.43Å; C191-V195 WeakPolarHBondContact O-CG2 3.12Å; C191-V195 PolarHBondContact O-N 3.14Å |
| 192 | I | 83.8 | Confident | 81.8 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 176 | -66.9 | 166.1 | 0 | 0 | 0 | 109.6 | F182 R188 D189 F194 V195 I196 M220 S227 L231 A235 | F182-I192 HydrophobicContact CD1-CG1 4.43Å; F182-I192 HydrophobicContact CE1-CG1 4.03Å; R188-I192 HydrophobicContact CG-CD1 3.97Å; R188-I192 WeakPolarHBondContact O-CG1 3.34Å; R188-I192 PolarHBondContact O-N 3.17Å; D189-I192 PolarHBondContact O-N 3.13Å; I192-F194 PolarHBondContact O-N 3.04Å; I192-V195 PolarHBondContact O-N 2.88Å; I192-I196 HydrophobicContact CG2-CD1 3.75Å; I192-I196 HydrophobicContact CG2-CG1 4.47Å; I192-I196 VanDerWaalsContact O-CG1 3.28Å; I192-I196 WeakPolarHBondContact O-CG1 3.33Å; I192-I196 PolarHBondContact O-N 3.27Å; I192-M220 HydrophobicContact CG1-CG 4.15Å; I192-M220 HydrophobicContact CG2-CG 4.25Å; I192-M220 HydrophobicContact CG2-SD 4.3Å; I192-S227 VanDerWaalsContact CD1-OG 3.23Å; I192-S227 WeakPolarHBondContact CD1-OG 3.11Å; I192-L231 HydrophobicContact CB-CD2 3.57Å; I192-L231 HydrophobicContact CB-CG 4.41Å; I192-L231 HydrophobicContact CD1-CD2 3.96Å; I192-L231 HydrophobicContact CG1-CD2 4.36Å; I192-L231 HydrophobicContact CG2-CD2 3.54Å; I192-L231 HydrophobicContact CG2-CG 3.89Å; I192-A235 HydrophobicContact CG2-CB 3.96Å |
| 193 | N | 83.8 | Confident | 82 | Confident | 70 Ų | 70 | 42 Ų | 42 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 176.9 | -167 | 24.6 | 0 | 0 | 0 | 112.3 | D189 V195 I196 V197 L231 | D189-N193 WeakPolarHBondContact O-CB 3.21Å; D189-N193 PolarHBondContact O-N 3.41Å; N193-V195 PolarHBondContact O-N 3.25Å; N193-I196 WeakPolarHBondContact O-CB 3.3Å; N193-I196 PolarHBondContact O-N 3.39Å; N193-V197 WeakPolarHBondContact O-CG2 3.35Å; N193-V197 PolarHBondContact O-N 3.43Å; N193-L231 HydrophobicContact CB-CD1 4.39Å |
| 194 | F | 86.2 | Confident | 82 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.8 | -49.6 | 174.5 | 169.7 | -111.3 | 0 | 0 | 0 | 111.5 | M153 T154 L167 L173 L178 G190 C191 I192 I196 V197 V198 | M153-F194 HydrophobicContact CB-CD2 3.96Å; M153-F194 HydrophobicContact CB-CE2 3.61Å; M153-F194 HydrophobicContact CB-CZ 4.37Å; M153-F194 HydrophobicContact CE-CE1 4.4Å; M153-F194 HydrophobicContact CE-CE2 4.02Å; M153-F194 HydrophobicContact CE-CZ 3.61Å; T154-F194 WeakPolarHBondContact OG1-CB 3.4Å; L167-F194 HydrophobicContact CD2-CE2 4.04Å; L167-F194 HydrophobicContact CD2-CZ 3.91Å; L173-F194 HydrophobicContact CD2-CE1 3.97Å; L173-F194 HydrophobicContact CD2-CZ 4.1Å; L178-F194 HydrophobicContact CD1-CD1 4.29Å; L178-F194 HydrophobicContact CD1-CE1 4.33Å; L178-F194 HydrophobicContact CD2-CD1 4.25Å; L178-F194 HydrophobicContact CD2-CE1 3.73Å; G190-F194 WeakPolarHBondContact O-CB 3.42Å; G190-F194 PolarHBondContact O-N 3.19Å; C191-F194 PolarHBondContact O-N 3.43Å; I192-F194 PolarHBondContact O-N 3.04Å; F194-I196 VanDerWaalsContact C-N 3.33Å; F194-I196 PolarHBondContact O-N 3.1Å; F194-V197 PolarHBondContact O-N 3.38Å; F194-V198 HydrophobicContact CD2-CG2 3.96Å; F194-V198 HydrophobicContact CE1-CG2 4.15Å; F194-V198 HydrophobicContact CE2-CG2 3.46Å; F194-V198 VanDerWaalsContact CE2-CG2 3.46Å; F194-V198 HydrophobicContact CG-CG2 4.49Å; F194-V198 HydrophobicContact CZ-CG2 3.59Å; F194-V198 VanDerWaalsContact O-CG2 3.29Å; F194-V198 WeakPolarHBondContact O-CG2 3.45Å; F194-V198 PolarHBondContact O-N 2.77Å |
| 195 | V | 84.9 | Confident | 82.1 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 178.4 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | F182 C191 I192 N193 V197 V198 I199 I216 M220 | F182-V195 HydrophobicContact CZ-CG2 3.9Å; C191-V195 WeakPolarHBondContact O-CG2 3.12Å; C191-V195 PolarHBondContact O-N 3.14Å; I192-V195 PolarHBondContact O-N 2.88Å; N193-V195 PolarHBondContact O-N 3.25Å; V195-V197 PolarHBondContact O-N 2.9Å; V195-V198 PolarHBondContact O-N 3.38Å; V195-I199 HydrophobicContact CG1-CD1 3.64Å; V195-I199 HydrophobicContact CG1-CG1 4.43Å; V195-I199 WeakPolarHBondContact O-CD1 3.48Å; V195-I199 VanDerWaalsContact O-CG1 3.25Å; V195-I199 WeakPolarHBondContact O-CG1 3.33Å; V195-I199 PolarHBondContact O-N 2.72Å; V195-I216 HydrophobicContact CG2-CD1 3.73Å; V195-I216 HydrophobicContact CG2-CG1 3.87Å; V195-M220 HydrophobicContact CB-SD 4.06Å; V195-M220 HydrophobicContact CG1-SD 3.65Å |
| 196 | I | 84.6 | Confident | 82.3 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 175.6 | -71.7 | 163 | 0 | 0 | 0 | 111.1 | I192 N193 F194 I199 R200 M220 S234 A235 T238 | I192-I196 HydrophobicContact CG2-CD1 3.75Å; I192-I196 HydrophobicContact CG2-CG1 4.47Å; I192-I196 VanDerWaalsContact O-CG1 3.28Å; I192-I196 WeakPolarHBondContact O-CG1 3.33Å; I192-I196 PolarHBondContact O-N 3.27Å; N193-I196 WeakPolarHBondContact O-CB 3.3Å; N193-I196 PolarHBondContact O-N 3.39Å; F194-I196 VanDerWaalsContact C-N 3.33Å; F194-I196 PolarHBondContact O-N 3.1Å; I196-I199 PolarHBondContact O-N 3.08Å; I196-R200 VanDerWaalsContact O-CB 3.31Å; I196-R200 WeakPolarHBondContact O-CB 3.49Å; I196-R200 PolarHBondContact O-N 3.39Å; I196-M220 HydrophobicContact CG1-SD 4.47Å; I196-S234 WeakPolarHBondContact CD1-OG 3.18Å; I196-A235 HydrophobicContact CD1-CB 4.12Å; I196-T238 WeakPolarHBondContact CG2-OG1 3.31Å |
| 197 | V | 84.2 | Confident | 82.4 | Confident | 19 Ų | 19 | 41.7 Ų | 41.7 | 12% | 0.115 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | -179.1 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | T154 A157 N193 F194 V195 I199 R200 F201 | T154-V197 HydrophobicContact CG2-CB 3.92Å; T154-V197 HydrophobicContact CG2-CG1 4.21Å; T154-V197 HydrophobicContact CG2-CG2 3.64Å; T154-V197 WeakPolarHBondContact O-CG1 3.42Å; A157-V197 HydrophobicContact CB-CG1 3.95Å; N193-V197 WeakPolarHBondContact O-CG2 3.35Å; N193-V197 PolarHBondContact O-N 3.43Å; F194-V197 PolarHBondContact O-N 3.38Å; V195-V197 PolarHBondContact O-N 2.9Å; V197-I199 VanDerWaalsContact C-N 3.31Å; V197-I199 PolarHBondContact O-N 3.15Å; V197-R200 PolarHBondContact O-N 2.94Å; V197-F201 HydrophobicContact CG1-CD2 3.82Å; V197-F201 HydrophobicContact CG1-CE2 4.09Å; V197-F201 WeakPolarHBondContact O-CD2 3.45Å; V197-F201 PolarHBondContact O-N 3.21Å; V197-F201 VanDerWaalsContact O-N 3.09Å |
| 198 | V | 84.4 | Confident | 82.3 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.6 | -45.8 | 175 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | A157 V164 L167 L173 F194 V195 A202 I210 | A157-V198 HydrophobicContact CB-CG2 4.03Å; V164-V198 HydrophobicContact CG1-CG1 4.02Å; L167-V198 HydrophobicContact CD2-CG2 3.64Å; L173-V198 HydrophobicContact CD1-CG1 4.15Å; F194-V198 HydrophobicContact CD2-CG2 3.96Å; F194-V198 HydrophobicContact CE1-CG2 4.15Å; F194-V198 HydrophobicContact CE2-CG2 3.46Å; F194-V198 VanDerWaalsContact CE2-CG2 3.46Å; F194-V198 HydrophobicContact CG-CG2 4.49Å; F194-V198 HydrophobicContact CZ-CG2 3.59Å; F194-V198 VanDerWaalsContact O-CG2 3.29Å; F194-V198 WeakPolarHBondContact O-CG2 3.45Å; F194-V198 PolarHBondContact O-N 2.77Å; V195-V198 PolarHBondContact O-N 3.38Å; V198-A202 VanDerWaalsContact O-CB 3.24Å; V198-A202 WeakPolarHBondContact O-CB 3.48Å; V198-A202 PolarHBondContact O-N 3.46Å; V198-I210 HydrophobicContact CG1-CD1 4.07Å |
| 199 | I | 84.1 | Confident | 82.2 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 178.4 | -65.6 | 158.4 | 0 | 0 | 0 | 110.8 | V195 I196 V197 F201 A202 L207 L217 T238 I242 | V195-I199 HydrophobicContact CG1-CD1 3.64Å; V195-I199 HydrophobicContact CG1-CG1 4.43Å; V195-I199 WeakPolarHBondContact O-CD1 3.48Å; V195-I199 VanDerWaalsContact O-CG1 3.25Å; V195-I199 WeakPolarHBondContact O-CG1 3.33Å; V195-I199 PolarHBondContact O-N 2.72Å; I196-I199 PolarHBondContact O-N 3.08Å; V197-I199 VanDerWaalsContact C-N 3.31Å; V197-I199 PolarHBondContact O-N 3.15Å; I199-F201 PolarHBondContact O-N 2.94Å; I199-A202 PolarHBondContact O-N 3.26Å; I199-L207 HydrophobicContact CG2-CD2 4.11Å; I199-L217 HydrophobicContact CD1-CD2 3.43Å; I199-L217 VanDerWaalsContact CD1-CD2 3.43Å; I199-L217 HydrophobicContact CG1-CD2 4.4Å; I199-T238 HydrophobicContact CB-CG2 3.65Å; I199-T238 HydrophobicContact CD1-CG2 3.72Å; I199-T238 HydrophobicContact CG1-CG2 4.31Å; I199-T238 HydrophobicContact CG2-CG2 3.43Å; I199-T238 VanDerWaalsContact CG2-CG2 3.43Å; I199-I242 HydrophobicContact CB-CD1 4.47Å; I199-I242 HydrophobicContact CD1-CD1 3.82Å; I199-I242 HydrophobicContact CG1-CD1 4.15Å; I199-I242 HydrophobicContact CG2-CD1 3.52Å; I199-I242 HydrophobicContact CG2-CG1 3.61Å |
| 200 | R | 82.7 | Confident | 82 | Confident | 184 Ų | 184 | 45.8 Ų | 45.8 | 69% | 0.694 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -58.2 | -36 | -176.6 | -176 | 177.5 | -177.9 | 179 | 1.6 | 112.7 | I196 V197 | I196-R200 VanDerWaalsContact O-CB 3.31Å; I196-R200 WeakPolarHBondContact O-CB 3.49Å; I196-R200 PolarHBondContact O-N 3.39Å; V197-R200 PolarHBondContact O-N 2.94Å |
| 201 | F | 84.8 | Confident | 81.8 | Confident | 55 Ų | 55 | 45.3 Ų | 45.3 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -104.2 | 2.7 | -179.3 | -68.1 | -78.5 | 0 | 0 | 0 | 113.6 | A157 A161 V164 V197 I199 | A157-F201 WeakPolarHBondContact O-CB 3.45Å; A161-F201 WeakPolarHBondContact CA-O 3.49Å; A161-F201 PolarHBondContact N-O 2.92Å; V164-F201 HydrophobicContact CG2-CB 3.77Å; V197-F201 HydrophobicContact CG1-CD2 3.82Å; V197-F201 HydrophobicContact CG1-CE2 4.09Å; V197-F201 WeakPolarHBondContact O-CD2 3.45Å; V197-F201 PolarHBondContact O-N 3.21Å; V197-F201 VanDerWaalsContact O-N 3.09Å; I199-F201 PolarHBondContact O-N 2.94Å |
| 202 | A | 83.6 | Confident | 81 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 12% | 0.116 | 21% | 0.214 | C | C | . | . | trans | -63.4 | 138.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V164 V198 I199 A206 L207 | V164-A202 HydrophobicContact CG1-CB 3.79Å; V198-A202 VanDerWaalsContact O-CB 3.24Å; V198-A202 WeakPolarHBondContact O-CB 3.48Å; V198-A202 PolarHBondContact O-N 3.46Å; I199-A202 PolarHBondContact O-N 3.26Å; A202-A206 HydrophobicContact CB-CB 3.87Å; A202-L207 HydrophobicContact CB-CD2 3.95Å; A202-L207 HydrophobicContact CB-CG 3.69Å | ||
| 203 | S | 82.6 | Confident | 80.1 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | trans | -67.2 | 168.5 | 167.2 | 88.2 | 0 | 0 | 0 | 0 | 111.4 | D165 Q205 A206 L207 | D165-S203 WeakPolarHBondContact OD1-CB 3.38Å; D165-S203 PolarHBondContact OD1-OG 3.48Å; D165-S203 WeakPolarHBondContact OD2-CB 3.44Å; D165-S203 PolarHBondContact OD2-OG 3.22Å; D165-S203 VanDerWaalsContact OD2-OG 3.08Å; S203-Q205 VanDerWaalsContact C-N 3.3Å; S203-Q205 PolarHBondContact O-N 3.28Å; S203-Q205 PolarHBondContact OG-N 3.04Å; S203-A206 WeakPolarHBondContact O-CB 3.44Å; S203-A206 PolarHBondContact O-N 3.37Å; S203-A206 PolarHBondContact OG-N 2.73Å; S203-L207 PolarHBondContact O-N 2.63Å | ||
| 204 | R | 78.8 | Confident | 79.2 | Confident | 166 Ų | 166 | 50.5 Ų | 50.5 | 63% | 0.626 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -54.1 | -42.4 | 173.1 | 177.6 | 169.9 | -174.6 | 169 | -6.3 | 113.3 | H208 E247 | R204-H208 PolarHBondContact O-N 3.42Å; R204-E247 VanDerWaalsContact CD-OE1 3.27Å; R204-E247 WeakPolarHBondContact CD-OE1 3.25Å; R204-E247 WeakPolarHBondContact CD-OE2 3.49Å; R204-E247 WeakPolarHBondContact CG-OE2 3.47Å; R204-E247 VanDerWaalsContact CZ-CD 3.46Å; R204-E247 IonicContact CZ-OE1 3.82Å; R204-E247 VanDerWaalsContact NE-CD 3.27Å; R204-E247 IonicContact NE-OE1 3.53Å; R204-E247 PolarHBondContact NE-OE1 3.31Å; R204-E247 IonicContact NE-OE2 3.92Å; R204-E247 PolarHBondContact NE-OE2 3.41Å; R204-E247 IonicContact NH1-OE1 3.78Å; R204-E247 PolarHBondContact NH1-OE1 3.36Å; R204-E247 IonicContact NH2-OE1 2.89Å |
| 205 | Q | 79.3 | Confident | 78.5 | Confident | 161 Ų | 161 | 56 Ų | 56 | 75% | 0.752 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -70 | -40.3 | 179.5 | -69 | -176.3 | -4 | 0 | 0 | 111.4 | S203 K209 | S203-Q205 VanDerWaalsContact C-N 3.3Å; S203-Q205 PolarHBondContact O-N 3.28Å; S203-Q205 PolarHBondContact OG-N 3.04Å; Q205-K209 PolarHBondContact O-N 3.39Å |
| 206 | A | 79.8 | Confident | 78.2 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V164 D165 I168 A202 S203 H208 K209 I210 | V164-A206 HydrophobicContact CG1-CB 4.38Å; D165-A206 VanDerWaalsContact OD1-CB 3.25Å; D165-A206 WeakPolarHBondContact OD1-CB 3.35Å; I168-A206 HydrophobicContact CD1-CB 3.25Å; A202-A206 HydrophobicContact CB-CB 3.87Å; S203-A206 WeakPolarHBondContact O-CB 3.44Å; S203-A206 PolarHBondContact O-N 3.37Å; S203-A206 PolarHBondContact OG-N 2.73Å; A206-H208 VanDerWaalsContact C-N 3.34Å; A206-H208 PolarHBondContact O-N 2.99Å; A206-K209 PolarHBondContact O-N 2.93Å; A206-I210 WeakPolarHBondContact O-CG1 3.5Å; A206-I210 PolarHBondContact O-N 3Å |
| 207 | L | 78.6 | Confident | 77.8 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 178.6 | -80.2 | 167.7 | 0 | 0 | 0 | 112 | I199 A202 S203 K209 I210 C211 | I199-L207 HydrophobicContact CG2-CD2 4.11Å; A202-L207 HydrophobicContact CB-CD2 3.95Å; A202-L207 HydrophobicContact CB-CG 3.69Å; S203-L207 PolarHBondContact O-N 2.63Å; L207-K209 VanDerWaalsContact C-N 3.31Å; L207-K209 PolarHBondContact O-N 3.37Å; L207-I210 PolarHBondContact O-N 2.64Å; L207-C211 WeakPolarHBondContact O-CB 3.27Å; L207-C211 PolarHBondContact O-N 3.4Å; L207-C211 PolarHBondContact O-SG 3.11Å |
| 208 | H | 77.7 | Confident | 77.4 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 178.1 | -169.9 | -81 | 0 | 0 | 0 | 111.8 | R204 A206 C211 G212 P249 | R204-H208 PolarHBondContact O-N 3.42Å; A206-H208 VanDerWaalsContact C-N 3.34Å; A206-H208 PolarHBondContact O-N 2.99Å; H208-C211 PolarHBondContact O-N 3.3Å; H208-G212 PolarHBondContact O-N 3.06Å; H208-P249 WeakPolarHBondContact NE2-CG 3.39Å |
| 209 | K | 77.5 | Confident | 77.2 | Confident | 89 Ų | 89 | 60.2 Ų | 60.2 | 39% | 0.387 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.6 | -40.9 | 178.9 | -162 | 174.3 | -176.2 | -176.6 | 0 | 112.5 | I168 Q205 A206 L207 E213 | I168-K209 HydrophobicContact CG2-CD 3.9Å; Q205-K209 PolarHBondContact O-N 3.39Å; A206-K209 PolarHBondContact O-N 2.93Å; L207-K209 VanDerWaalsContact C-N 3.31Å; L207-K209 PolarHBondContact O-N 3.37Å; K209-E213 PolarHBondContact O-N 3.24Å |
| 210 | I | 77.9 | Confident | 77 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 174.4 | -66.9 | 166.8 | 0 | 0 | 0 | 110.5 | I168 L173 V198 A206 L207 K214 L217 | I168-I210 HydrophobicContact CD1-CD1 3.59Å; I168-I210 HydrophobicContact CD1-CG1 4.01Å; I168-I210 HydrophobicContact CG1-CD1 4.43Å; L173-I210 HydrophobicContact CD1-CD1 4.15Å; L173-I210 HydrophobicContact CD1-CG1 3.98Å; V198-I210 HydrophobicContact CG1-CD1 4.07Å; A206-I210 WeakPolarHBondContact O-CG1 3.5Å; A206-I210 PolarHBondContact O-N 3Å; L207-I210 PolarHBondContact O-N 2.64Å; I210-K214 PolarHBondContact O-N 2.91Å; I210-L217 HydrophobicContact CG2-CD1 4.25Å; I210-L217 HydrophobicContact CG2-CG 4.32Å |
| 211 | C | 74.5 | Confident | 76.8 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -76.2 | -29.6 | -174.4 | -63.4 | 0 | 0 | 0 | 0 | 114.1 | L207 H208 V248 N252 I256 | L207-C211 WeakPolarHBondContact O-CB 3.27Å; L207-C211 PolarHBondContact O-N 3.4Å; L207-C211 PolarHBondContact O-SG 3.11Å; H208-C211 PolarHBondContact O-N 3.3Å; C211-V248 HydrophobicContact CB-CG1 4.05Å; C211-N252 HydrophobicContact CB-CB 4.19Å; C211-I256 HydrophobicContact CB-CD1 4.27Å |
| 212 | G | 67.3 | Low | 76.5 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -82.5 | -41.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | H208 N252 R255 | H208-G212 PolarHBondContact O-N 3.06Å; G212-N252 WeakPolarHBondContact CA-ND2 3.37Å; G212-R255 PolarHBondContact O-NH1 2.87Å |
| 213 | E | 65 | Low | 76.2 | Confident | 140 Ų | 140 | 56.4 Ų | 56.4 | 65% | 0.654 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -116.5 | -20.5 | -166.6 | -66.5 | -180 | 167 | 0 | 0 | 114 | K209 | K209-E213 PolarHBondContact O-N 3.24Å |
| 214 | K | 65.3 | Low | 75.9 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 10% | 0.104 | 25% | 0.25 | C | C | . | . | trans | -108.8 | 127.6 | -164.7 | -54 | -166.7 | -179.2 | -158.8 | 0 | 114.4 | D172 L173 D174 I210 I216 | D172-K214 WeakPolarHBondContact OD1-CE 3.47Å; D172-K214 IonicContact OD1-NZ 2.92Å; D172-K214 PolarHBondContact OD1-NZ 3.11Å; L173-K214 HydrophobicContact CB-CD 4.1Å; D174-K214 WeakPolarHBondContact OD2-CA 2.96Å; I210-K214 PolarHBondContact O-N 2.91Å; K214-I216 VanDerWaalsContact C-N 3.32Å; K214-I216 HydrophobicContact CB-CG2 4.43Å; K214-I216 PolarHBondContact O-N 3.38Å | ||
| 215 | F | 72.2 | Confident | 75.4 | Confident | 116 Ų | 116 | 52.7 Ų | 52.7 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -1.8 | -177.4 | -66.9 | -84.1 | 0 | 0 | 0 | 114.4 | D174 L217 Q218 K219 | D174-F215 VanDerWaalsContact CG-N 3.35Å; D174-F215 PolarHBondContact OD1-N 3.38Å; D174-F215 VanDerWaalsContact OD1-N 3.14Å; D174-F215 PolarHBondContact OD2-N 3.34Å; F215-L217 VanDerWaalsContact C-N 3.3Å; F215-L217 PolarHBondContact O-N 3.48Å; F215-Q218 PolarHBondContact O-N 3.14Å; F215-Q218 VanDerWaalsContact O-N 3.15Å; F215-K219 PolarHBondContact O-N 3.29Å; F215-K219 VanDerWaalsContact O-N 3.1Å |
| 216 | I | 77.3 | Confident | 74.8 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.8 | -37 | -177.8 | -168.1 | 146 | 0 | 0 | 0 | 114.5 | L173 D174 L178 F182 V195 K214 Q218 K219 M220 | L173-I216 HydrophobicContact CB-CD1 4.2Å; L173-I216 HydrophobicContact CB-CG2 4.44Å; L173-I216 WeakPolarHBondContact O-CD1 3.49Å; D174-I216 WeakPolarHBondContact OD1-CB 3.24Å; D174-I216 PolarHBondContact OD1-N 3.04Å; L178-I216 HydrophobicContact CD2-CD1 3.84Å; F182-I216 HydrophobicContact CE2-CD1 4.13Å; F182-I216 HydrophobicContact CE2-CG1 4.36Å; F182-I216 HydrophobicContact CZ-CD1 4.39Å; F182-I216 HydrophobicContact CZ-CG1 4.36Å; V195-I216 HydrophobicContact CG2-CD1 3.73Å; V195-I216 HydrophobicContact CG2-CG1 3.87Å; K214-I216 VanDerWaalsContact C-N 3.32Å; K214-I216 HydrophobicContact CB-CG2 4.43Å; K214-I216 PolarHBondContact O-N 3.38Å; I216-Q218 PolarHBondContact O-N 2.63Å; I216-K219 PolarHBondContact O-N 3.26Å; I216-K219 VanDerWaalsContact O-N 3.15Å; I216-M220 PolarHBondContact O-N 2.8Å |
| 217 | L | 77.1 | Confident | 74.5 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 177.9 | -70.7 | 175.3 | 0 | 0 | 0 | 112.2 | I199 I210 F215 K219 M220 L221 I242 I256 | I199-L217 HydrophobicContact CD1-CD2 3.43Å; I199-L217 VanDerWaalsContact CD1-CD2 3.43Å; I199-L217 HydrophobicContact CG1-CD2 4.4Å; I210-L217 HydrophobicContact CG2-CD1 4.25Å; I210-L217 HydrophobicContact CG2-CG 4.32Å; F215-L217 VanDerWaalsContact C-N 3.3Å; F215-L217 PolarHBondContact O-N 3.48Å; L217-K219 VanDerWaalsContact C-N 3.3Å; L217-K219 PolarHBondContact O-N 3.08Å; L217-M220 PolarHBondContact O-N 2.91Å; L217-L221 PolarHBondContact O-N 3.24Å; L217-I242 HydrophobicContact CD1-CD1 4.1Å; L217-I242 HydrophobicContact CD2-CD1 3.85Å; L217-I256 HydrophobicContact CD1-CD1 3.84Å; L217-I256 HydrophobicContact CD1-CG1 4.23Å |
| 218 | Q | 75.4 | Confident | 74.3 | Confident | 38 Ų | 38 | 50.5 Ų | 50.5 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.1 | -36.1 | 176.6 | -63.1 | -178.2 | -1.8 | 0 | 0 | 110.8 | F215 I216 R222 R255 | F215-Q218 PolarHBondContact O-N 3.14Å; F215-Q218 VanDerWaalsContact O-N 3.15Å; I216-Q218 PolarHBondContact O-N 2.63Å; Q218-R222 WeakPolarHBondContact O-CB 3.21Å; Q218-R222 VanDerWaalsContact O-CG 3.31Å; Q218-R222 WeakPolarHBondContact O-CG 3.46Å; Q218-R222 PolarHBondContact O-N 3.48Å; Q218-R222 VanDerWaalsContact O-N 3.11Å; Q218-R255 PolarHBondContact NE2-O 2.91Å |
| 219 | K | 78.9 | Confident | 74.3 | Confident | 84 Ų | 84 | 50 Ų | 50 | 37% | 0.365 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.3 | -39.3 | 178.5 | -158.2 | 73.3 | 177.1 | -169.4 | 0 | 112.4 | F215 I216 L217 N223 | F215-K219 PolarHBondContact O-N 3.29Å; F215-K219 VanDerWaalsContact O-N 3.1Å; I216-K219 PolarHBondContact O-N 3.26Å; I216-K219 VanDerWaalsContact O-N 3.15Å; L217-K219 VanDerWaalsContact C-N 3.3Å; L217-K219 PolarHBondContact O-N 3.08Å; K219-N223 PolarHBondContact O-N 3.42Å; K219-N223 PolarHBondContact O-ND2 3.44Å |
| 220 | M | 81.3 | Confident | 74.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.8 | -61.4 | 172.2 | -177.1 | -176.7 | 74.4 | 0 | 0 | 108.9 | F182 I192 V195 I196 I216 L217 R222 N223 V224 A235 V239 | F182-M220 HydrophobicContact CE1-CB 4.35Å; I192-M220 HydrophobicContact CG1-CG 4.15Å; I192-M220 HydrophobicContact CG2-CG 4.25Å; I192-M220 HydrophobicContact CG2-SD 4.3Å; V195-M220 HydrophobicContact CB-SD 4.06Å; V195-M220 HydrophobicContact CG1-SD 3.65Å; I196-M220 HydrophobicContact CG1-SD 4.47Å; I216-M220 PolarHBondContact O-N 2.8Å; L217-M220 PolarHBondContact O-N 2.91Å; M220-R222 VanDerWaalsContact C-N 3.33Å; M220-R222 PolarHBondContact O-N 2.92Å; M220-N223 PolarHBondContact O-N 3.31Å; M220-V224 WeakPolarHBondContact O-CG2 3.38Å; M220-V224 PolarHBondContact O-N 2.85Å; M220-A235 HydrophobicContact CE-CB 4.02Å; M220-A235 HydrophobicContact SD-CB 4.24Å; M220-V239 HydrophobicContact CE-CG2 3.6Å |
| 221 | L | 77.7 | Confident | 74.3 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.3 | -34.8 | -175.2 | -68.5 | 173.2 | 0 | 0 | 0 | 114.4 | L217 N223 V224 V239 C260 I264 | L217-L221 PolarHBondContact O-N 3.24Å; L221-N223 VanDerWaalsContact C-N 3.26Å; L221-N223 PolarHBondContact O-N 3.4Å; L221-V224 HydrophobicContact CD2-CG2 4.47Å; L221-V224 PolarHBondContact O-N 3.35Å; L221-V239 HydrophobicContact CD1-CG1 4.22Å; L221-V239 HydrophobicContact CD1-CG2 4.05Å; L221-V239 HydrophobicContact CD2-CG2 4.14Å; L221-V239 HydrophobicContact CG-CG2 4.26Å; L221-C260 HydrophobicContact CB-CB 4.14Å; L221-C260 HydrophobicContact CD1-CB 3.46Å; L221-C260 VanDerWaalsContact CD1-CB 3.46Å; L221-C260 HydrophobicContact CG-CB 4.48Å; L221-I264 HydrophobicContact CD1-CD1 4.21Å; L221-I264 HydrophobicContact CD2-CD1 4.49Å |
| 222 | R | 78 | Confident | 74.6 | Confident | 141 Ų | 141 | 54.4 Ų | 54.4 | 53% | 0.532 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.2 | -26.7 | 175.5 | -78 | 179 | -174.9 | -175.7 | 5.6 | 113.6 | Q218 M220 | Q218-R222 WeakPolarHBondContact O-CB 3.21Å; Q218-R222 VanDerWaalsContact O-CG 3.31Å; Q218-R222 WeakPolarHBondContact O-CG 3.46Å; Q218-R222 PolarHBondContact O-N 3.48Å; Q218-R222 VanDerWaalsContact O-N 3.11Å; M220-R222 VanDerWaalsContact C-N 3.33Å; M220-R222 PolarHBondContact O-N 2.92Å |
| 223 | N | 77.3 | Confident | 75.3 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -101.6 | -0.9 | -177 | -66.7 | -60.8 | 0 | 0 | 0 | 113.7 | K219 M220 L221 K225 | K219-N223 PolarHBondContact O-N 3.42Å; K219-N223 PolarHBondContact O-ND2 3.44Å; M220-N223 PolarHBondContact O-N 3.31Å; L221-N223 VanDerWaalsContact C-N 3.26Å; L221-N223 PolarHBondContact O-N 3.4Å; N223-K225 VanDerWaalsContact C-N 3.3Å; N223-K225 PolarHBondContact O-N 2.63Å |
| 224 | V | 76.8 | Confident | 76.1 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -62.9 | -31.4 | -174.9 | 172 | 0 | 0 | 0 | 0 | 113.3 | M220 L221 S226 S227 I232 A235 | M220-V224 WeakPolarHBondContact O-CG2 3.38Å; M220-V224 PolarHBondContact O-N 2.85Å; L221-V224 HydrophobicContact CD2-CG2 4.47Å; L221-V224 PolarHBondContact O-N 3.35Å; V224-S226 PolarHBondContact O-N 3.2Å; V224-S227 WeakPolarHBondContact O-CB 3.37Å; V224-S227 PolarHBondContact O-N 3.45Å; V224-S227 PolarHBondContact O-OG 3.34Å; V224-I232 HydrophobicContact CG1-CB 3.77Å; V224-I232 HydrophobicContact CG1-CD1 4.26Å; V224-I232 HydrophobicContact CG1-CG1 3.54Å; V224-I232 HydrophobicContact CG1-CG2 3.57Å; V224-A235 HydrophobicContact CG2-CB 4.2Å |
| 225 | K | 68 | Low | 76.8 | Confident | 106 Ų | 106 | 48.9 Ų | 48.9 | 46% | 0.461 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -49.6 | -24.7 | -172.1 | -75.4 | -167.3 | 173.5 | -162.9 | 0 | 117.1 | N223 S266 L267 | N223-K225 VanDerWaalsContact C-N 3.3Å; N223-K225 PolarHBondContact O-N 2.63Å; K225-S266 WeakPolarHBondContact CE-OG 3.29Å; K225-S266 VanDerWaalsContact NZ-CB 3.25Å; K225-S266 PolarHBondContact NZ-OG 2.96Å; K225-L267 HydrophobicContact CG-CD2 3.8Å |
| 226 | S | 67.5 | Low | 77.4 | Confident | 75 Ų | 75 | 43.4 Ų | 43.4 | 52% | 0.524 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -109.2 | 12.6 | -177.2 | 77.1 | 0 | 0 | 0 | 0 | 113.6 | R188 V224 | R188-S226 PolarHBondContact NH1-OG 3.12Å; V224-S226 PolarHBondContact O-N 3.2Å |
| 227 | S | 72.8 | Confident | 77.6 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -94.5 | 166.6 | -173.9 | -36.9 | 0 | 0 | 0 | 0 | 109.9 | D189 I192 V224 | D189-S227 WeakPolarHBondContact OD1-CB 3.48Å; I192-S227 VanDerWaalsContact CD1-OG 3.23Å; I192-S227 WeakPolarHBondContact CD1-OG 3.11Å; V224-S227 WeakPolarHBondContact O-CB 3.37Å; V224-S227 PolarHBondContact O-N 3.45Å; V224-S227 PolarHBondContact O-OG 3.34Å |
| 228 | S | 74.6 | Confident | 77.9 | Confident | 56 Ų | 56 | 45.8 Ų | 45.8 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | trans | -61.2 | 142.5 | 173.7 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | D189 Q230 L231 I232 | D189-S228 PolarHBondContact OD2-OG 2.93Å; S228-Q230 VanDerWaalsContact C-N 3.26Å; S228-Q230 PolarHBondContact O-N 3.39Å; S228-Q230 VanDerWaalsContact O-N 3.16Å; S228-L231 WeakPolarHBondContact O-CA 3.49Å; S228-L231 VanDerWaalsContact O-CB 3.26Å; S228-L231 WeakPolarHBondContact O-CB 3.5Å; S228-L231 PolarHBondContact O-N 3.33Å; S228-L231 WeakPolarHBondContact OG-CB 3.39Å; S228-I232 WeakPolarHBondContact O-CG1 3.48Å; S228-I232 PolarHBondContact O-N 2.95Å | ||
| 229 | L | 77.4 | Confident | 78.2 | Confident | 84 Ų | 84 | 44 Ų | 44 | 44% | 0.44 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.7 | -36.7 | -173.7 | -170.1 | 141.3 | 0 | 0 | 0 | 113.4 | L231 I232 C233 L273 | L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.36Å; L229-I232 PolarHBondContact O-N 2.93Å; L229-C233 PolarHBondContact O-N 3.33Å; L229-C233 PolarHBondContact O-SG 3.43Å; L229-L273 HydrophobicContact CG-CD2 4.07Å |
| 230 | Q | 78.7 | Confident | 78.4 | Confident | 166 Ų | 166 | 42.4 Ų | 42.4 | 78% | 0.776 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -61.6 | -40.7 | 173.8 | -69.8 | 180 | -11.5 | 0 | 0 | 112.1 | S228 C233 S234 | S228-Q230 VanDerWaalsContact C-N 3.26Å; S228-Q230 PolarHBondContact O-N 3.39Å; S228-Q230 VanDerWaalsContact O-N 3.16Å; Q230-C233 PolarHBondContact O-N 3.45Å; Q230-S234 WeakPolarHBondContact O-CB 3.4Å; Q230-S234 PolarHBondContact O-N 3.47Å; Q230-S234 PolarHBondContact O-OG 3.16Å |
| 231 | L | 77.8 | Confident | 78.4 | Confident | 24 Ų | 24 | 46.8 Ų | 46.8 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.7 | -40.3 | 178.7 | -142.7 | 88.8 | 0 | 0 | 0 | 111.2 | D189 I192 N193 S228 L229 S234 A235 | D189-L231 HydrophobicContact CB-CD2 3.85Å; I192-L231 HydrophobicContact CB-CD2 3.57Å; I192-L231 HydrophobicContact CB-CG 4.41Å; I192-L231 HydrophobicContact CD1-CD2 3.96Å; I192-L231 HydrophobicContact CG1-CD2 4.36Å; I192-L231 HydrophobicContact CG2-CD2 3.54Å; I192-L231 HydrophobicContact CG2-CG 3.89Å; N193-L231 HydrophobicContact CB-CD1 4.39Å; S228-L231 WeakPolarHBondContact O-CA 3.49Å; S228-L231 VanDerWaalsContact O-CB 3.26Å; S228-L231 WeakPolarHBondContact O-CB 3.5Å; S228-L231 PolarHBondContact O-N 3.33Å; S228-L231 WeakPolarHBondContact OG-CB 3.39Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.36Å; L231-S234 WeakPolarHBondContact CA-OG 3.4Å; L231-S234 PolarHBondContact O-N 3.12Å; L231-S234 PolarHBondContact O-OG 2.86Å; L231-A235 WeakPolarHBondContact O-CB 3.2Å; L231-A235 PolarHBondContact O-N 3.42Å |
| 232 | I | 79.9 | Confident | 78.6 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.9 | -52.2 | 173.3 | -58.3 | -175.1 | 0 | 0 | 0 | 110 | V224 S228 L229 S234 A235 V236 L267 L273 | V224-I232 HydrophobicContact CG1-CB 3.77Å; V224-I232 HydrophobicContact CG1-CD1 4.26Å; V224-I232 HydrophobicContact CG1-CG1 3.54Å; V224-I232 HydrophobicContact CG1-CG2 3.57Å; S228-I232 WeakPolarHBondContact O-CG1 3.48Å; S228-I232 PolarHBondContact O-N 2.95Å; L229-I232 PolarHBondContact O-N 2.93Å; I232-S234 PolarHBondContact O-N 3.29Å; I232-A235 PolarHBondContact O-N 3.11Å; I232-V236 WeakPolarHBondContact O-CG2 3Å; I232-V236 PolarHBondContact O-N 3.46Å; I232-L267 HydrophobicContact CG2-CD1 4.43Å; I232-L273 HydrophobicContact CB-CD2 4.14Å; I232-L273 HydrophobicContact CG2-CD1 3.77Å; I232-L273 HydrophobicContact CG2-CD2 3.62Å; I232-L273 HydrophobicContact CG2-CG 4.38Å |
| 233 | C | 82.5 | Confident | 78.8 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.4 | -49.3 | 177.8 | -70.4 | 0 | 0 | 0 | 0 | 111.5 | L229 Q230 A235 V236 D237 L273 C276 | L229-C233 PolarHBondContact O-N 3.33Å; L229-C233 PolarHBondContact O-SG 3.43Å; Q230-C233 PolarHBondContact O-N 3.45Å; C233-A235 VanDerWaalsContact C-N 3.32Å; C233-A235 PolarHBondContact O-N 3.46Å; C233-V236 PolarHBondContact O-N 3.09Å; C233-D237 WeakPolarHBondContact O-CB 3.16Å; C233-D237 PolarHBondContact O-N 2.82Å; C233-L273 VanDerWaalsContact SG-CD2 3.57Å; C233-C276 HydrophobicContact CB-CB 4.47Å |
| 234 | S | 81.2 | Confident | 79 | Confident | 39 Ų | 39 | 41.4 Ų | 41.4 | 27% | 0.273 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.6 | -36.6 | -179.3 | 66.8 | 0 | 0 | 0 | 0 | 113.2 | I196 Q230 L231 I232 T238 | I196-S234 WeakPolarHBondContact CD1-OG 3.18Å; Q230-S234 WeakPolarHBondContact O-CB 3.4Å; Q230-S234 PolarHBondContact O-N 3.47Å; Q230-S234 PolarHBondContact O-OG 3.16Å; L231-S234 WeakPolarHBondContact CA-OG 3.4Å; L231-S234 PolarHBondContact O-N 3.12Å; L231-S234 PolarHBondContact O-OG 2.86Å; I232-S234 PolarHBondContact O-N 3.29Å; S234-T238 VanDerWaalsContact O-CB 3.28Å; S234-T238 WeakPolarHBondContact O-CB 2.97Å; S234-T238 PolarHBondContact O-N 3.29Å; S234-T238 PolarHBondContact O-OG1 3.24Å |
| 235 | A | 81.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I192 I196 M220 V224 L231 I232 C233 T238 V239 | I192-A235 HydrophobicContact CG2-CB 3.96Å; I196-A235 HydrophobicContact CD1-CB 4.12Å; M220-A235 HydrophobicContact CE-CB 4.02Å; M220-A235 HydrophobicContact SD-CB 4.24Å; V224-A235 HydrophobicContact CG2-CB 4.2Å; L231-A235 WeakPolarHBondContact O-CB 3.2Å; L231-A235 PolarHBondContact O-N 3.42Å; I232-A235 PolarHBondContact O-N 3.11Å; C233-A235 VanDerWaalsContact C-N 3.32Å; C233-A235 PolarHBondContact O-N 3.46Å; A235-T238 PolarHBondContact O-N 2.86Å; A235-V239 WeakPolarHBondContact O-CG2 3.45Å; A235-V239 PolarHBondContact O-N 3.37Å; A235-V239 VanDerWaalsContact O-N 3.14Å |
| 236 | V | 84.3 | Confident | 79.5 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | I232 C233 T238 V239 R240 F280 | I232-V236 WeakPolarHBondContact O-CG2 3Å; I232-V236 PolarHBondContact O-N 3.46Å; C233-V236 PolarHBondContact O-N 3.09Å; V236-T238 VanDerWaalsContact C-N 3.35Å; V236-T238 PolarHBondContact O-N 3.25Å; V236-V239 PolarHBondContact O-N 2.99Å; V236-R240 WeakPolarHBondContact O-CB 3.47Å; V236-R240 PolarHBondContact O-N 2.64Å; V236-F280 HydrophobicContact CG1-CB 3.54Å; V236-F280 HydrophobicContact CG1-CD2 3.77Å; V236-F280 HydrophobicContact CG1-CG 3.71Å |
| 237 | D | 82.1 | Confident | 79.6 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.2 | -37.1 | 176.3 | -90.5 | -45.1 | 0 | 0 | 0 | 112.8 | C233 V239 R240 Q241 | C233-D237 WeakPolarHBondContact O-CB 3.16Å; C233-D237 PolarHBondContact O-N 2.82Å; D237-V239 VanDerWaalsContact C-N 3.34Å; D237-R240 WeakPolarHBondContact O-CB 3.45Å; D237-R240 PolarHBondContact O-N 2.92Å; D237-R240 IonicContact OD1-CZ 3.52Å; D237-R240 IonicContact OD1-NE 3.23Å; D237-R240 PolarHBondContact OD1-NE 3.14Å; D237-R240 IonicContact OD1-NH2 2.78Å; D237-R240 PolarHBondContact OD1-NH2 2.98Å; D237-Q241 VanDerWaalsContact O-CG 3.32Å; D237-Q241 WeakPolarHBondContact O-CG 3.35Å; D237-Q241 PolarHBondContact O-N 2.93Å |
| 238 | T | 81.5 | Confident | 79.7 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 176.9 | -60 | 0 | 0 | 0 | 0 | 110.8 | I196 I199 S234 A235 V236 R240 Q241 I242 | I196-T238 WeakPolarHBondContact CG2-OG1 3.31Å; I199-T238 HydrophobicContact CB-CG2 3.65Å; I199-T238 HydrophobicContact CD1-CG2 3.72Å; I199-T238 HydrophobicContact CG1-CG2 4.31Å; I199-T238 HydrophobicContact CG2-CG2 3.43Å; I199-T238 VanDerWaalsContact CG2-CG2 3.43Å; S234-T238 VanDerWaalsContact O-CB 3.28Å; S234-T238 WeakPolarHBondContact O-CB 2.97Å; S234-T238 PolarHBondContact O-N 3.29Å; S234-T238 PolarHBondContact O-OG1 3.24Å; A235-T238 PolarHBondContact O-N 2.86Å; V236-T238 VanDerWaalsContact C-N 3.35Å; V236-T238 PolarHBondContact O-N 3.25Å; T238-R240 VanDerWaalsContact C-N 3.35Å; T238-Q241 PolarHBondContact O-N 3.21Å; T238-I242 WeakPolarHBondContact O-CG1 3.18Å; T238-I242 PolarHBondContact O-N 2.91Å |
| 239 | V | 82.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.7 | -36.4 | 174.7 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | M220 L221 A235 V236 D237 Q241 I242 I243 I256 F280 | M220-V239 HydrophobicContact CE-CG2 3.6Å; L221-V239 HydrophobicContact CD1-CG1 4.22Å; L221-V239 HydrophobicContact CD1-CG2 4.05Å; L221-V239 HydrophobicContact CD2-CG2 4.14Å; L221-V239 HydrophobicContact CG-CG2 4.26Å; A235-V239 WeakPolarHBondContact O-CG2 3.45Å; A235-V239 PolarHBondContact O-N 3.37Å; A235-V239 VanDerWaalsContact O-N 3.14Å; V236-V239 PolarHBondContact O-N 2.99Å; D237-V239 VanDerWaalsContact C-N 3.34Å; V239-Q241 PolarHBondContact O-N 2.83Å; V239-I242 WeakPolarHBondContact O-CB 3.35Å; V239-I242 PolarHBondContact O-N 3.03Å; V239-I243 HydrophobicContact CG1-CD1 3.99Å; V239-I243 HydrophobicContact CG1-CG1 4.42Å; V239-I243 VanDerWaalsContact O-CG1 3.31Å; V239-I243 WeakPolarHBondContact O-CG1 3.41Å; V239-I243 PolarHBondContact O-N 3.15Å; V239-I256 HydrophobicContact CG1-CG2 4.01Å; V239-F280 HydrophobicContact CB-CE2 4.26Å; V239-F280 HydrophobicContact CG1-CE2 3.9Å |
| 240 | R | 82.8 | Confident | 80 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 19% | 0.192 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.8 | -49.5 | 170.9 | -176.6 | -176.3 | 65 | 82.3 | -1.2 | 111 | V236 D237 T238 I242 I243 E244 F280 S283 | V236-R240 WeakPolarHBondContact O-CB 3.47Å; V236-R240 PolarHBondContact O-N 2.64Å; D237-R240 WeakPolarHBondContact O-CB 3.45Å; D237-R240 PolarHBondContact O-N 2.92Å; D237-R240 IonicContact OD1-CZ 3.52Å; D237-R240 IonicContact OD1-NE 3.23Å; D237-R240 PolarHBondContact OD1-NE 3.14Å; D237-R240 IonicContact OD1-NH2 2.78Å; D237-R240 PolarHBondContact OD1-NH2 2.98Å; T238-R240 VanDerWaalsContact C-N 3.35Å; R240-I242 VanDerWaalsContact C-N 3.32Å; R240-I242 PolarHBondContact O-N 3.26Å; R240-I243 PolarHBondContact O-N 3.19Å; R240-E244 WeakPolarHBondContact CG-OE1 3.48Å; R240-E244 IonicContact CZ-OE1 3.68Å; R240-E244 IonicContact CZ-OE2 2.82Å; R240-E244 IonicContact NH1-OE1 3.52Å; R240-E244 PolarHBondContact NH1-OE1 3.39Å; R240-E244 IonicContact NH1-OE2 2.8Å; R240-E244 PolarHBondContact NH1-OE2 2.93Å; R240-E244 WeakPolarHBondContact O-CG 3.45Å; R240-E244 PolarHBondContact O-N 2.89Å; R240-F280 HydrophobicContact CB-CD2 4.12Å; R240-S283 WeakPolarHBondContact CG-OG 3.06Å |
| 241 | Q | 82.8 | Confident | 80 | Confident | 92 Ų | 92 | 41 Ų | 41 | 43% | 0.43 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.1 | -39.4 | 177.7 | -72 | 172.4 | 8.1 | 0 | 0 | 112.2 | D237 T238 V239 I243 E244 T245 | D237-Q241 VanDerWaalsContact O-CG 3.32Å; D237-Q241 WeakPolarHBondContact O-CG 3.35Å; D237-Q241 PolarHBondContact O-N 2.93Å; T238-Q241 PolarHBondContact O-N 3.21Å; V239-Q241 PolarHBondContact O-N 2.83Å; Q241-I243 VanDerWaalsContact C-N 3.35Å; Q241-I243 PolarHBondContact O-N 3.08Å; Q241-E244 PolarHBondContact O-N 3.38Å; Q241-T245 PolarHBondContact O-N 3.38Å; Q241-T245 PolarHBondContact O-OG1 2.72Å |
| 242 | I | 81 | Confident | 80 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -44.6 | 173.2 | -67.8 | 163.2 | 0 | 0 | 0 | 110.9 | I199 L217 T238 V239 R240 E244 T245 V248 I256 | I199-I242 HydrophobicContact CB-CD1 4.47Å; I199-I242 HydrophobicContact CD1-CD1 3.82Å; I199-I242 HydrophobicContact CG1-CD1 4.15Å; I199-I242 HydrophobicContact CG2-CD1 3.52Å; I199-I242 HydrophobicContact CG2-CG1 3.61Å; L217-I242 HydrophobicContact CD1-CD1 4.1Å; L217-I242 HydrophobicContact CD2-CD1 3.85Å; T238-I242 WeakPolarHBondContact O-CG1 3.18Å; T238-I242 PolarHBondContact O-N 2.91Å; V239-I242 WeakPolarHBondContact O-CB 3.35Å; V239-I242 PolarHBondContact O-N 3.03Å; R240-I242 VanDerWaalsContact C-N 3.32Å; R240-I242 PolarHBondContact O-N 3.26Å; I242-E244 VanDerWaalsContact C-N 3.32Å; I242-E244 PolarHBondContact O-N 2.84Å; I242-T245 WeakPolarHBondContact O-CB 3.34Å; I242-T245 PolarHBondContact O-N 3.46Å; I242-V248 HydrophobicContact CG2-CG2 4.26Å; I242-I256 HydrophobicContact CG2-CD1 4.26Å |
| 243 | I | 81.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.6 | -35.3 | -179.8 | -68.5 | 172.9 | 0 | 0 | 0 | 111 | V239 R240 Q241 T245 K253 F280 C284 Q287 | V239-I243 HydrophobicContact CG1-CD1 3.99Å; V239-I243 HydrophobicContact CG1-CG1 4.42Å; V239-I243 VanDerWaalsContact O-CG1 3.31Å; V239-I243 WeakPolarHBondContact O-CG1 3.41Å; V239-I243 PolarHBondContact O-N 3.15Å; R240-I243 PolarHBondContact O-N 3.19Å; Q241-I243 VanDerWaalsContact C-N 3.35Å; Q241-I243 PolarHBondContact O-N 3.08Å; I243-T245 VanDerWaalsContact C-N 3.33Å; I243-K253 WeakPolarHBondContact O-CD 3.45Å; I243-K253 WeakPolarHBondContact O-CE 3.44Å; I243-K253 PolarHBondContact O-NZ 3.1Å; I243-F280 HydrophobicContact CD1-CE2 3.93Å; I243-F280 HydrophobicContact CD1-CZ 4.18Å; I243-C284 WeakPolarHBondContact CD1-SG 3.38Å; I243-Q287 HydrophobicContact CG2-CB 3.78Å; I243-Q287 HydrophobicContact CG2-CG 4.08Å; I243-Q287 WeakPolarHBondContact O-CG 3.45Å |
| 244 | E | 81.5 | Confident | 80 | Confident | 69 Ų | 69 | 40.9 Ų | 40.9 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -71.5 | -25.4 | 174.9 | -74 | 171.6 | -175.4 | 0 | 0 | 113.4 | R240 Q241 I242 A246 S283 | R240-E244 WeakPolarHBondContact CG-OE1 3.48Å; R240-E244 IonicContact CZ-OE1 3.68Å; R240-E244 IonicContact CZ-OE2 2.82Å; R240-E244 IonicContact NH1-OE1 3.52Å; R240-E244 PolarHBondContact NH1-OE1 3.39Å; R240-E244 IonicContact NH1-OE2 2.8Å; R240-E244 PolarHBondContact NH1-OE2 2.93Å; R240-E244 WeakPolarHBondContact O-CG 3.45Å; R240-E244 PolarHBondContact O-N 2.89Å; Q241-E244 PolarHBondContact O-N 3.38Å; I242-E244 VanDerWaalsContact C-N 3.32Å; I242-E244 PolarHBondContact O-N 2.84Å; E244-A246 PolarHBondContact O-N 3.45Å; E244-A246 VanDerWaalsContact O-N 3.09Å; E244-S283 VanDerWaalsContact OE1-CB 3.31Å; E244-S283 WeakPolarHBondContact OE1-CB 3.09Å; E244-S283 PolarHBondContact OE1-OG 3.44Å |
| 245 | T | 81.3 | Confident | 79.8 | Confident | 42 Ų | 42 | 43.7 Ų | 43.7 | 26% | 0.258 | 22% | 0.222 | S | C | . | . | trans | -62.9 | 116.8 | -177.6 | -58.3 | 0 | 0 | 0 | 0 | 110.3 | Q241 I242 I243 E247 V248 K253 | Q241-T245 PolarHBondContact O-N 3.38Å; Q241-T245 PolarHBondContact O-OG1 2.72Å; I242-T245 WeakPolarHBondContact O-CB 3.34Å; I242-T245 PolarHBondContact O-N 3.46Å; I243-T245 VanDerWaalsContact C-N 3.33Å; T245-E247 HydrophobicContact CG2-CB 4.11Å; T245-E247 HydrophobicContact CG2-CG 4.43Å; T245-E247 PolarHBondContact O-N 3.4Å; T245-V248 HydrophobicContact CG2-CG2 4.28Å; T245-V248 PolarHBondContact O-N 2.85Å; T245-K253 WeakPolarHBondContact O-CE 3.2Å; T245-K253 PolarHBondContact O-NZ 3.43Å | ||
| 246 | A | 74.5 | Confident | 79.6 | Confident | 92 Ų | 92 | 44 Ų | 44 | 76% | 0.76 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | E244 V248 | E244-A246 PolarHBondContact O-N 3.45Å; E244-A246 VanDerWaalsContact O-N 3.09Å; A246-V248 VanDerWaalsContact C-N 3.34Å; A246-V248 PolarHBondContact O-N 2.81Å |
| 247 | E | 70.8 | Confident | 79.4 | Confident | 87 Ų | 87 | 44 Ų | 44 | 41% | 0.407 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -15.3 | -173.8 | -53.8 | -178.2 | 149.6 | 0 | 0 | 113.9 | R204 T245 | R204-E247 VanDerWaalsContact CD-OE1 3.27Å; R204-E247 WeakPolarHBondContact CD-OE1 3.25Å; R204-E247 WeakPolarHBondContact CD-OE2 3.49Å; R204-E247 WeakPolarHBondContact CG-OE2 3.47Å; R204-E247 VanDerWaalsContact CZ-CD 3.46Å; R204-E247 IonicContact CZ-OE1 3.82Å; R204-E247 VanDerWaalsContact NE-CD 3.27Å; R204-E247 IonicContact NE-OE1 3.53Å; R204-E247 PolarHBondContact NE-OE1 3.31Å; R204-E247 IonicContact NE-OE2 3.92Å; R204-E247 PolarHBondContact NE-OE2 3.41Å; R204-E247 IonicContact NH1-OE1 3.78Å; R204-E247 PolarHBondContact NH1-OE1 3.36Å; R204-E247 IonicContact NH2-OE1 2.89Å; T245-E247 HydrophobicContact CG2-CB 4.11Å; T245-E247 HydrophobicContact CG2-CG 4.43Å; T245-E247 PolarHBondContact O-N 3.4Å |
| 248 | V | 74.5 | Confident | 79.4 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -79.5 | 123.6 | 176.6 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | C211 I242 T245 A246 K250 N252 K253 | C211-V248 HydrophobicContact CB-CG1 4.05Å; I242-V248 HydrophobicContact CG2-CG2 4.26Å; T245-V248 HydrophobicContact CG2-CG2 4.28Å; T245-V248 PolarHBondContact O-N 2.85Å; A246-V248 VanDerWaalsContact C-N 3.34Å; A246-V248 PolarHBondContact O-N 2.81Å; V248-K250 PolarHBondContact O-N 3.42Å; V248-N252 HydrophobicContact CG1-CB 3.95Å; V248-K253 HydrophobicContact CB-CG 4.21Å; V248-K253 HydrophobicContact CG1-CG 3.82Å; V248-K253 WeakPolarHBondContact O-CE 3.37Å |
| 249 | P | 77.8 | Confident | 79 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 31% | 0.312 | 24% | 0.239 | S | C | . | . | trans | -55 | 136 | 178.3 | -24.2 | 31.7 | 0 | 0 | 0 | 111 | H208 F251 N252 K253 | H208-P249 WeakPolarHBondContact NE2-CG 3.39Å; P249-F251 PolarHBondContact O-N 3.4Å; P249-F251 VanDerWaalsContact O-N 3.07Å; P249-N252 WeakPolarHBondContact O-CA 3.45Å; P249-N252 WeakPolarHBondContact O-CB 3.41Å; P249-N252 PolarHBondContact O-N 3.21Å; P249-K253 PolarHBondContact O-N 2.97Å; P249-K253 VanDerWaalsContact O-N 3.16Å | ||
| 250 | K | 79.7 | Confident | 78.7 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 35% | 0.352 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -52.5 | -35.6 | -179.9 | -164.5 | 176.1 | -166.4 | 176.7 | 0 | 112.4 | V248 N252 K253 V254 L288 R289 | V248-K250 PolarHBondContact O-N 3.42Å; K250-N252 VanDerWaalsContact C-N 3.32Å; K250-N252 PolarHBondContact O-N 3.47Å; K250-K253 PolarHBondContact O-N 3Å; K250-V254 WeakPolarHBondContact O-CB 3.39Å; K250-V254 VanDerWaalsContact O-CG2 3.3Å; K250-V254 WeakPolarHBondContact O-CG2 3.37Å; K250-V254 PolarHBondContact O-N 3.5Å; K250-L288 WeakPolarHBondContact CE-O 3Å; K250-L288 PolarHBondContact NZ-O 3.21Å; K250-R289 VanDerWaalsContact NZ-C 3.34Å; K250-R289 PolarHBondContact NZ-O 3.15Å |
| 251 | F | 79.8 | Confident | 78.6 | Confident | 140 Ų | 140 | 44.4 Ų | 44.4 | 61% | 0.614 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -56 | -42 | 173.3 | 178.5 | -103.3 | 0 | 0 | 0 | 113.4 | P249 V254 R255 | P249-F251 PolarHBondContact O-N 3.4Å; P249-F251 VanDerWaalsContact O-N 3.07Å; F251-V254 PolarHBondContact O-N 3.32Å; F251-R255 HydrophobicContact CE1-CG 4.35Å; F251-R255 HydrophobicContact CZ-CG 4.32Å; F251-R255 PolarHBondContact O-N 2.65Å |
| 252 | N | 77.2 | Confident | 78.4 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.059 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.1 | -40.6 | 177.8 | -68.4 | -18.3 | 0 | 0 | 0 | 111.1 | C211 G212 V248 P249 K250 V254 R255 I256 | C211-N252 HydrophobicContact CB-CB 4.19Å; G212-N252 WeakPolarHBondContact CA-ND2 3.37Å; V248-N252 HydrophobicContact CG1-CB 3.95Å; P249-N252 WeakPolarHBondContact O-CA 3.45Å; P249-N252 WeakPolarHBondContact O-CB 3.41Å; P249-N252 PolarHBondContact O-N 3.21Å; K250-N252 VanDerWaalsContact C-N 3.32Å; K250-N252 PolarHBondContact O-N 3.47Å; N252-V254 VanDerWaalsContact C-N 3.26Å; N252-V254 PolarHBondContact O-N 3.21Å; N252-R255 PolarHBondContact O-N 3.28Å; N252-I256 VanDerWaalsContact O-CG1 3.28Å; N252-I256 WeakPolarHBondContact O-CG1 3.47Å; N252-I256 PolarHBondContact O-N 2.95Å |
| 253 | K | 83.1 | Confident | 78.3 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.2 | -44.4 | 172.4 | -58.5 | -173.9 | 180 | -170 | 0 | 111.2 | I243 T245 V248 P249 K250 I256 F257 Q287 L288 | I243-K253 WeakPolarHBondContact O-CD 3.45Å; I243-K253 WeakPolarHBondContact O-CE 3.44Å; I243-K253 PolarHBondContact O-NZ 3.1Å; T245-K253 WeakPolarHBondContact O-CE 3.2Å; T245-K253 PolarHBondContact O-NZ 3.43Å; V248-K253 HydrophobicContact CB-CG 4.21Å; V248-K253 HydrophobicContact CG1-CG 3.82Å; V248-K253 WeakPolarHBondContact O-CE 3.37Å; P249-K253 PolarHBondContact O-N 2.97Å; P249-K253 VanDerWaalsContact O-N 3.16Å; K250-K253 PolarHBondContact O-N 3Å; K253-I256 PolarHBondContact O-N 2.86Å; K253-F257 PolarHBondContact O-N 3.29Å; K253-Q287 HydrophobicContact CD-CB 4.5Å; K253-L288 HydrophobicContact CB-CD2 3.66Å |
| 254 | V | 78.5 | Confident | 78.3 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 175.7 | 163.6 | 0 | 0 | 0 | 0 | 112.1 | K250 F251 N252 I256 F257 H258 L288 I305 | K250-V254 WeakPolarHBondContact O-CB 3.39Å; K250-V254 VanDerWaalsContact O-CG2 3.3Å; K250-V254 WeakPolarHBondContact O-CG2 3.37Å; K250-V254 PolarHBondContact O-N 3.5Å; F251-V254 PolarHBondContact O-N 3.32Å; N252-V254 VanDerWaalsContact C-N 3.26Å; N252-V254 PolarHBondContact O-N 3.21Å; V254-I256 VanDerWaalsContact C-N 3.31Å; V254-I256 PolarHBondContact O-N 2.89Å; V254-F257 PolarHBondContact O-N 2.98Å; V254-H258 VanDerWaalsContact O-CB 3.3Å; V254-H258 WeakPolarHBondContact O-CB 3.37Å; V254-H258 PolarHBondContact O-N 3.39Å; V254-L288 HydrophobicContact CG2-CD2 3.77Å; V254-I305 HydrophobicContact CB-CD1 4.22Å; V254-I305 HydrophobicContact CG1-CD1 3.25Å; V254-I305 HydrophobicContact CG1-CG1 3.73Å; V254-I305 HydrophobicContact CG2-CD1 3.91Å |
| 255 | R | 77.8 | Confident | 78.2 | Confident | 98 Ų | 98 | 47.7 Ų | 47.7 | 37% | 0.37 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -39 | 178.9 | -79.4 | 178.2 | 75.2 | -158.8 | 5.5 | 112.3 | G212 Q218 F251 N252 G259 | G212-R255 PolarHBondContact O-NH1 2.87Å; Q218-R255 PolarHBondContact NE2-O 2.91Å; F251-R255 HydrophobicContact CE1-CG 4.35Å; F251-R255 HydrophobicContact CZ-CG 4.32Å; F251-R255 PolarHBondContact O-N 2.65Å; N252-R255 PolarHBondContact O-N 3.28Å; R255-G259 PolarHBondContact O-N 3.36Å |
| 256 | I | 76.3 | Confident | 78.1 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -55.3 | 176.6 | -67.8 | 164 | 0 | 0 | 0 | 109.4 | C211 L217 V239 I242 N252 K253 V254 H258 G259 C260 | C211-I256 HydrophobicContact CB-CD1 4.27Å; L217-I256 HydrophobicContact CD1-CD1 3.84Å; L217-I256 HydrophobicContact CD1-CG1 4.23Å; V239-I256 HydrophobicContact CG1-CG2 4.01Å; I242-I256 HydrophobicContact CG2-CD1 4.26Å; N252-I256 VanDerWaalsContact O-CG1 3.28Å; N252-I256 WeakPolarHBondContact O-CG1 3.47Å; N252-I256 PolarHBondContact O-N 2.95Å; K253-I256 PolarHBondContact O-N 2.86Å; V254-I256 VanDerWaalsContact C-N 3.31Å; V254-I256 PolarHBondContact O-N 2.89Å; I256-H258 PolarHBondContact O-N 2.9Å; I256-G259 PolarHBondContact O-N 3.35Å; I256-C260 PolarHBondContact O-N 3.23Å; I256-C260 PolarHBondContact O-SG 3.27Å |
| 257 | F | 81.6 | Confident | 78.4 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | -177.4 | -176.3 | -98.5 | 0 | 0 | 0 | 113 | K253 V254 G259 C260 S261 F280 C284 L288 I305 L309 | K253-F257 PolarHBondContact O-N 3.29Å; V254-F257 PolarHBondContact O-N 2.98Å; F257-G259 PolarHBondContact O-N 3.39Å; F257-C260 PolarHBondContact O-N 3.34Å; F257-C260 VanDerWaalsContact O-N 3.14Å; F257-C260 PolarHBondContact O-SG 3.23Å; F257-S261 PolarHBondContact O-N 3.13Å; F257-F280 HydrophobicContact CD2-CE1 4.41Å; F257-F280 HydrophobicContact CD2-CZ 4.35Å; F257-F280 HydrophobicContact CE2-CE1 4.22Å; F257-C284 HydrophobicContact CD2-CB 3.93Å; F257-C284 VanDerWaalsContact CD2-SG 3.59Å; F257-C284 HydrophobicContact CE2-CB 3.77Å; F257-L288 HydrophobicContact CB-CD1 3.72Å; F257-L288 HydrophobicContact CD1-CD1 3.77Å; F257-L288 HydrophobicContact CD2-CD1 4.21Å; F257-L288 HydrophobicContact CE1-CD1 4.43Å; F257-L288 HydrophobicContact CG-CD1 3.62Å; F257-I305 HydrophobicContact CD1-CG2 3.52Å; F257-I305 HydrophobicContact CE1-CG2 4.03Å; F257-L309 HydrophobicContact CE1-CB 4.09Å; F257-L309 HydrophobicContact CZ-CB 3.95Å; F257-L309 HydrophobicContact CZ-CD1 3.86Å; F257-L309 HydrophobicContact CZ-CD2 3.84Å; F257-L309 HydrophobicContact CZ-CG 4.05Å |
| 258 | H | 80.3 | Confident | 78.8 | Confident | 93 Ų | 93 | 39.7 Ų | 39.7 | 43% | 0.431 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.1 | -32.5 | 178.9 | -179.5 | -94.1 | 0 | 0 | 0 | 112.9 | V254 I256 K308 | V254-H258 VanDerWaalsContact O-CB 3.3Å; V254-H258 WeakPolarHBondContact O-CB 3.37Å; V254-H258 PolarHBondContact O-N 3.39Å; I256-H258 PolarHBondContact O-N 2.9Å; H258-K308 PolarHBondContact CD2-NZ 2.89Å; H258-K308 PolarHBondContact NE2-NZ 3.31Å |
| 259 | G | 74.1 | Confident | 78.7 | Confident | 17 Ų | 17 | 46 Ų | 46 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -76.5 | -21.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R255 I256 F257 | R255-G259 PolarHBondContact O-N 3.36Å; I256-G259 PolarHBondContact O-N 3.35Å; F257-G259 PolarHBondContact O-N 3.39Å |
| 260 | C | 76.8 | Confident | 78.5 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -116.1 | -14.2 | -174.3 | 68.4 | 0 | 0 | 0 | 0 | 115.6 | L221 I256 F257 R262 S263 I264 | L221-C260 HydrophobicContact CB-CB 4.14Å; L221-C260 HydrophobicContact CD1-CB 3.46Å; L221-C260 VanDerWaalsContact CD1-CB 3.46Å; L221-C260 HydrophobicContact CG-CB 4.48Å; I256-C260 PolarHBondContact O-N 3.23Å; I256-C260 PolarHBondContact O-SG 3.27Å; F257-C260 PolarHBondContact O-N 3.34Å; F257-C260 VanDerWaalsContact O-N 3.14Å; F257-C260 PolarHBondContact O-SG 3.23Å; C260-R262 VanDerWaalsContact C-N 3.33Å; C260-R262 PolarHBondContact O-N 3.02Å; C260-R262 VanDerWaalsContact O-N 3.17Å; C260-S263 WeakPolarHBondContact O-CA 3.48Å; C260-S263 WeakPolarHBondContact O-CB 3.43Å; C260-S263 PolarHBondContact O-N 3.44Å; C260-I264 HydrophobicContact CB-CD1 4.09Å; C260-I264 HydrophobicContact CB-CG1 4.37Å; C260-I264 PolarHBondContact O-N 3.03Å |
| 261 | S | 80.4 | Confident | 78.1 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -45.5 | -53.2 | -174.4 | 69 | 0 | 0 | 0 | 0 | 113 | F257 S263 I264 C265 D312 | F257-S261 PolarHBondContact O-N 3.13Å; S261-S263 PolarHBondContact O-N 3.43Å; S261-I264 PolarHBondContact O-N 3.12Å; S261-C265 WeakPolarHBondContact O-CB 3.49Å; S261-C265 PolarHBondContact O-N 3.32Å; S261-C265 PolarHBondContact O-SG 2.93Å; S261-D312 PolarHBondContact OG-OD2 3.49Å |
| 262 | R | 78.9 | Confident | 77.8 | Confident | 199 Ų | 199 | 44.8 Ų | 44.8 | 75% | 0.751 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.9 | -35.5 | -179.3 | -168.4 | 175 | -175.6 | 174.6 | 3.3 | 113.5 | C260 S266 | C260-R262 VanDerWaalsContact C-N 3.33Å; C260-R262 PolarHBondContact O-N 3.02Å; C260-R262 VanDerWaalsContact O-N 3.17Å; R262-S266 PolarHBondContact O-N 3.25Å; R262-S266 PolarHBondContact O-OG 3.46Å |
| 263 | S | 77.6 | Confident | 77.9 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.8 | -40.8 | 177.7 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | C260 S261 S266 | C260-S263 WeakPolarHBondContact O-CA 3.48Å; C260-S263 WeakPolarHBondContact O-CB 3.43Å; C260-S263 PolarHBondContact O-N 3.44Å; S261-S263 PolarHBondContact O-N 3.43Å; S263-S266 PolarHBondContact O-OG 2.52Å |
| 264 | I | 80.7 | Confident | 77.7 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.7 | -40.8 | 178.7 | -60.3 | 177.9 | 0 | 0 | 0 | 111.5 | L221 C260 S261 S266 L267 L277 F280 F281 | L221-I264 HydrophobicContact CD1-CD1 4.21Å; L221-I264 HydrophobicContact CD2-CD1 4.49Å; C260-I264 HydrophobicContact CB-CD1 4.09Å; C260-I264 HydrophobicContact CB-CG1 4.37Å; C260-I264 PolarHBondContact O-N 3.03Å; S261-I264 PolarHBondContact O-N 3.12Å; I264-S266 PolarHBondContact O-N 3.06Å; I264-L267 WeakPolarHBondContact O-CB 3.47Å; I264-L267 PolarHBondContact O-N 3.47Å; I264-L277 HydrophobicContact CG2-CD2 3.66Å; I264-F280 HydrophobicContact CD1-CD1 4.17Å; I264-F280 HydrophobicContact CD1-CE1 3.32Å; I264-F280 HydrophobicContact CD1-CE2 4.04Å; I264-F280 HydrophobicContact CD1-CZ 3.24Å; I264-F280 HydrophobicContact CG2-CD1 4.06Å; I264-F280 HydrophobicContact CG2-CE1 4.01Å; I264-F281 HydrophobicContact CG2-CE1 4.15Å; I264-F281 HydrophobicContact CG2-CE2 4.4Å; I264-F281 HydrophobicContact CG2-CZ 3.73Å |
| 265 | C | 80.8 | Confident | 77.9 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59 | -34.2 | 176.5 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | S261 L267 I268 D312 L313 | S261-C265 WeakPolarHBondContact O-CB 3.49Å; S261-C265 PolarHBondContact O-N 3.32Å; S261-C265 PolarHBondContact O-SG 2.93Å; C265-L267 PolarHBondContact O-N 2.98Å; C265-I268 HydrophobicContact CB-CD1 4.29Å; C265-I268 VanDerWaalsContact O-CB 3.31Å; C265-I268 WeakPolarHBondContact O-CB 3.48Å; C265-I268 WeakPolarHBondContact O-CD1 3.34Å; C265-I268 VanDerWaalsContact O-CG1 3.22Å; C265-I268 WeakPolarHBondContact O-CG1 3.48Å; C265-I268 PolarHBondContact O-N 2.8Å; C265-D312 HydrophobicContact CB-CB 4.48Å; C265-L313 HydrophobicContact CB-CD2 4.47Å |
| 266 | S | 79.3 | Confident | 78.1 | Confident | 39 Ų | 39 | 48.8 Ų | 48.8 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 0.7 | 176 | 67.8 | 0 | 0 | 0 | 0 | 115.7 | K225 R262 S263 I264 | K225-S266 WeakPolarHBondContact CE-OG 3.29Å; K225-S266 VanDerWaalsContact NZ-CB 3.25Å; K225-S266 PolarHBondContact NZ-OG 2.96Å; R262-S266 PolarHBondContact O-N 3.25Å; R262-S266 PolarHBondContact O-OG 3.46Å; S263-S266 PolarHBondContact O-OG 2.52Å; I264-S266 PolarHBondContact O-N 3.06Å |
| 267 | L | 80.5 | Confident | 78.6 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -7.4 | 170.2 | -64 | 170.8 | 0 | 0 | 0 | 112.6 | K225 I232 I264 C265 E269 E270 L273 L277 | K225-L267 HydrophobicContact CG-CD2 3.8Å; I232-L267 HydrophobicContact CG2-CD1 4.43Å; I264-L267 WeakPolarHBondContact O-CB 3.47Å; I264-L267 PolarHBondContact O-N 3.47Å; C265-L267 PolarHBondContact O-N 2.98Å; L267-E269 PolarHBondContact O-N 3.08Å; L267-E270 PolarHBondContact O-N 2.83Å; L267-E270 VanDerWaalsContact O-N 3.09Å; L267-L273 HydrophobicContact CB-CD1 4.21Å; L267-L277 HydrophobicContact CB-CD1 4.18Å; L267-L277 HydrophobicContact CB-CD2 4.47Å |
| 268 | I | 80 | Confident | 78.8 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.1 | -174.3 | -69.8 | 172.3 | 0 | 0 | 0 | 112.7 | C265 E270 L277 F281 L313 S320 L322 A323 | C265-I268 HydrophobicContact CB-CD1 4.29Å; C265-I268 VanDerWaalsContact O-CB 3.31Å; C265-I268 WeakPolarHBondContact O-CB 3.48Å; C265-I268 WeakPolarHBondContact O-CD1 3.34Å; C265-I268 VanDerWaalsContact O-CG1 3.22Å; C265-I268 WeakPolarHBondContact O-CG1 3.48Å; C265-I268 PolarHBondContact O-N 2.8Å; I268-E270 VanDerWaalsContact C-N 3.34Å; I268-L277 HydrophobicContact CG1-CD1 4.33Å; I268-F281 HydrophobicContact CD1-CE2 4.06Å; I268-F281 HydrophobicContact CD1-CZ 4.17Å; I268-F281 HydrophobicContact CG1-CE2 4.23Å; I268-L313 HydrophobicContact CD1-CD2 3.21Å; I268-S320 WeakPolarHBondContact CG2-OG 3.4Å; I268-L322 HydrophobicContact CG1-CD2 4.41Å; I268-L322 HydrophobicContact CG2-CD2 4.42Å; I268-A323 HydrophobicContact CG2-CB 4.42Å |
| 269 | E | 72.4 | Confident | 79.1 | Confident | 137 Ų | 137 | 50 Ų | 50 | 64% | 0.64 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -6.7 | 179.1 | -66.7 | 177.3 | -175.6 | 0 | 0 | 113.1 | L267 H316 | L267-E269 PolarHBondContact O-N 3.08Å; E269-H316 IonicContact OE1-CE1 3.55Å; E269-H316 PolarHBondContact OE1-CE1 2.96Å; E269-H316 IonicContact OE1-ND1 2.75Å; E269-H316 PolarHBondContact OE1-ND1 2.97Å |
| 270 | E | 72.6 | Confident | 79.7 | Confident | 76 Ų | 76 | 49.2 Ų | 49.2 | 36% | 0.355 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -85.4 | 125.3 | 178.6 | -67.5 | -167.5 | -177.7 | 0 | 0 | 112.2 | L267 I268 G272 L273 | L267-E270 PolarHBondContact O-N 2.83Å; L267-E270 VanDerWaalsContact O-N 3.09Å; I268-E270 VanDerWaalsContact C-N 3.34Å; E270-G272 PolarHBondContact O-N 2.78Å; E270-L273 HydrophobicContact CB-CD1 3.99Å |
| 271 | S | 71.1 | Confident | 80.2 | Confident | 110 Ų | 110 | 49.1 Ų | 49.1 | 77% | 0.769 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 129.2 | -179.7 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 272 | G | 73.9 | Confident | 80.6 | Confident | 58 Ų | 58 | 51.8 Ų | 51.8 | 60% | 0.598 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.7 | -8.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E270 | E270-G272 PolarHBondContact O-N 2.78Š|
| 273 | L | 79 | Confident | 80.9 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | trans | -93.8 | 0.9 | 178 | -64.9 | 177.9 | 0 | 0 | 0 | 113.9 | L229 I232 C233 L267 E270 E275 C276 L277 | L229-L273 HydrophobicContact CG-CD2 4.07Å; I232-L273 HydrophobicContact CB-CD2 4.14Å; I232-L273 HydrophobicContact CG2-CD1 3.77Å; I232-L273 HydrophobicContact CG2-CD2 3.62Å; I232-L273 HydrophobicContact CG2-CG 4.38Å; C233-L273 VanDerWaalsContact SG-CD2 3.57Å; L267-L273 HydrophobicContact CB-CD1 4.21Å; E270-L273 HydrophobicContact CB-CD1 3.99Å; L273-E275 PolarHBondContact O-N 2.88Å; L273-C276 PolarHBondContact O-N 3.25Å; L273-L277 HydrophobicContact CB-CD1 3.79Å; L273-L277 HydrophobicContact CB-CG 4.05Å; L273-L277 WeakPolarHBondContact O-CB 3.46Å; L273-L277 WeakPolarHBondContact O-CG 3.49Å; L273-L277 PolarHBondContact O-N 3.03Å | ||
| 274 | E | 79.6 | Confident | 81.3 | Confident | 111 Ų | 111 | 41.3 Ų | 41.3 | 52% | 0.519 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.8 | -51.2 | -168.6 | -68.3 | -170.8 | 165.5 | 0 | 0 | 113.5 | K278 | E274-K278 WeakPolarHBondContact O-CB 3.38Å; E274-K278 PolarHBondContact O-N 3.07Å |
| 275 | E | 82.1 | Confident | 81.5 | Confident | 108 Ų | 108 | 41.2 Ų | 41.2 | 51% | 0.505 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.4 | -38.6 | -177 | -173.8 | 56.9 | -155.1 | 0 | 0 | 112 | L273 K278 N279 | L273-E275 PolarHBondContact O-N 2.88Å; E275-K278 PolarHBondContact O-N 3.2Å; E275-K278 IonicContact OE2-NZ 3.81Å; E275-N279 WeakPolarHBondContact O-CB 3.48Å; E275-N279 VanDerWaalsContact O-CG 3.27Å; E275-N279 PolarHBondContact O-N 3.38Å; E275-N279 PolarHBondContact O-ND2 3.01Å; E275-N279 VanDerWaalsContact O-ND2 3.08Å; E275-N279 PolarHBondContact OE1-ND2 3.47Å |
| 276 | C | 82.8 | Confident | 81.6 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 9% | 0.088 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -48.2 | 177.2 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | C233 L273 N279 F280 | C233-C276 HydrophobicContact CB-CB 4.47Å; L273-C276 PolarHBondContact O-N 3.25Å; C276-N279 PolarHBondContact O-N 3.15Å; C276-F280 WeakPolarHBondContact O-CB 3.39Å; C276-F280 PolarHBondContact O-N 3.16Å |
| 277 | L | 85.5 | Confident | 81.7 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 178.2 | -70.5 | 175 | 0 | 0 | 0 | 111.6 | I264 L267 I268 L273 F280 F281 L322 | I264-L277 HydrophobicContact CG2-CD2 3.66Å; L267-L277 HydrophobicContact CB-CD1 4.18Å; L267-L277 HydrophobicContact CB-CD2 4.47Å; I268-L277 HydrophobicContact CG1-CD1 4.33Å; L273-L277 HydrophobicContact CB-CD1 3.79Å; L273-L277 HydrophobicContact CB-CG 4.05Å; L273-L277 WeakPolarHBondContact O-CB 3.46Å; L273-L277 WeakPolarHBondContact O-CG 3.49Å; L273-L277 PolarHBondContact O-N 3.03Å; L277-F280 PolarHBondContact O-N 3.4Å; L277-F281 HydrophobicContact CB-CD2 4.33Å; L277-F281 HydrophobicContact CB-CE2 4.17Å; L277-F281 WeakPolarHBondContact O-CD2 3.32Å; L277-F281 WeakPolarHBondContact O-CG 3.25Å; L277-F281 PolarHBondContact O-N 3.33Å; L277-L322 HydrophobicContact CB-CD2 3.71Å; L277-L322 HydrophobicContact CD1-CD2 4.08Å |
| 278 | K | 85.7 | Confident | 81.8 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 30% | 0.296 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.1 | -51 | 174.6 | -174.7 | -178.4 | 171.1 | -164.9 | 0 | 111.2 | E274 E275 F280 F281 Y282 L322 | E274-K278 WeakPolarHBondContact O-CB 3.38Å; E274-K278 PolarHBondContact O-N 3.07Å; E275-K278 PolarHBondContact O-N 3.2Å; E275-K278 IonicContact OE2-NZ 3.81Å; K278-F280 VanDerWaalsContact C-N 3.35Å; K278-F280 PolarHBondContact O-N 3.19Å; K278-F281 PolarHBondContact O-N 3.22Å; K278-Y282 HydrophobicContact CG-CD1 4.33Å; K278-Y282 HydrophobicContact CG-CD2 4.42Å; K278-Y282 HydrophobicContact CG-CE1 3.97Å; K278-Y282 HydrophobicContact CG-CE2 4.09Å; K278-Y282 WeakPolarHBondContact O-CB 3.34Å; K278-Y282 VanDerWaalsContact O-CD1 3.24Å; K278-Y282 WeakPolarHBondContact O-CD1 3.04Å; K278-Y282 VanDerWaalsContact O-CG 3.28Å; K278-Y282 PolarHBondContact O-N 3.39Å; K278-L322 HydrophobicContact CB-CD1 3.61Å; K278-L322 HydrophobicContact CG-CD1 4.18Å |
| 279 | N | 86.3 | Confident | 81.8 | Confident | 57 Ų | 57 | 51.9 Ų | 51.9 | 31% | 0.305 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 178.9 | -70.3 | -30.6 | 0 | 0 | 0 | 111.3 | E275 C276 Y282 S283 | E275-N279 WeakPolarHBondContact O-CB 3.48Å; E275-N279 VanDerWaalsContact O-CG 3.27Å; E275-N279 PolarHBondContact O-N 3.38Å; E275-N279 PolarHBondContact O-ND2 3.01Å; E275-N279 VanDerWaalsContact O-ND2 3.08Å; E275-N279 PolarHBondContact OE1-ND2 3.47Å; C276-N279 PolarHBondContact O-N 3.15Å; N279-Y282 PolarHBondContact O-N 2.88Å; N279-S283 PolarHBondContact O-N 3.36Å; N279-S283 PolarHBondContact O-OG 3.27Å |
| 280 | F | 87.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.3 | -52.4 | 174.6 | 175.2 | -93.8 | 0 | 0 | 0 | 112.8 | V236 V239 R240 I243 F257 I264 C276 L277 K278 Y282 S283 C284 | V236-F280 HydrophobicContact CG1-CB 3.54Å; V236-F280 HydrophobicContact CG1-CD2 3.77Å; V236-F280 HydrophobicContact CG1-CG 3.71Å; V239-F280 HydrophobicContact CB-CE2 4.26Å; V239-F280 HydrophobicContact CG1-CE2 3.9Å; R240-F280 HydrophobicContact CB-CD2 4.12Å; I243-F280 HydrophobicContact CD1-CE2 3.93Å; I243-F280 HydrophobicContact CD1-CZ 4.18Å; F257-F280 HydrophobicContact CD2-CE1 4.41Å; F257-F280 HydrophobicContact CD2-CZ 4.35Å; F257-F280 HydrophobicContact CE2-CE1 4.22Å; I264-F280 HydrophobicContact CD1-CD1 4.17Å; I264-F280 HydrophobicContact CD1-CE1 3.32Å; I264-F280 HydrophobicContact CD1-CE2 4.04Å; I264-F280 HydrophobicContact CD1-CZ 3.24Å; I264-F280 HydrophobicContact CG2-CD1 4.06Å; I264-F280 HydrophobicContact CG2-CE1 4.01Å; C276-F280 WeakPolarHBondContact O-CB 3.39Å; C276-F280 PolarHBondContact O-N 3.16Å; L277-F280 PolarHBondContact O-N 3.4Å; K278-F280 VanDerWaalsContact C-N 3.35Å; K278-F280 PolarHBondContact O-N 3.19Å; F280-Y282 VanDerWaalsContact C-N 3.32Å; F280-Y282 PolarHBondContact O-N 3.35Å; F280-S283 PolarHBondContact O-N 3.31Å; F280-C284 VanDerWaalsContact CE1-SG 3.55Å; F280-C284 WeakPolarHBondContact CZ-SG 3.5Å; F280-C284 WeakPolarHBondContact O-CB 3.13Å; F280-C284 PolarHBondContact O-N 3.49Å; F280-C284 PolarHBondContact O-SG 3.26Å |
| 281 | F | 88.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -38.4 | -179.1 | -73.3 | -58 | 0 | 0 | 0 | 111.7 | I264 I268 L277 K278 C284 I285 L309 V326 | I264-F281 HydrophobicContact CG2-CE1 4.15Å; I264-F281 HydrophobicContact CG2-CE2 4.4Å; I264-F281 HydrophobicContact CG2-CZ 3.73Å; I268-F281 HydrophobicContact CD1-CE2 4.06Å; I268-F281 HydrophobicContact CD1-CZ 4.17Å; I268-F281 HydrophobicContact CG1-CE2 4.23Å; L277-F281 HydrophobicContact CB-CD2 4.33Å; L277-F281 HydrophobicContact CB-CE2 4.17Å; L277-F281 WeakPolarHBondContact O-CD2 3.32Å; L277-F281 WeakPolarHBondContact O-CG 3.25Å; L277-F281 PolarHBondContact O-N 3.33Å; K278-F281 PolarHBondContact O-N 3.22Å; F281-C284 PolarHBondContact O-N 2.85Å; F281-I285 WeakPolarHBondContact O-CD1 3.18Å; F281-I285 WeakPolarHBondContact O-CG1 3.26Å; F281-I285 PolarHBondContact O-N 2.74Å; F281-L309 HydrophobicContact CD1-CD1 4Å; F281-L309 HydrophobicContact CD1-CD2 4.19Å; F281-L309 HydrophobicContact CE1-CD1 3.67Å; F281-V326 HydrophobicContact CB-CB 4.47Å; F281-V326 HydrophobicContact CB-CG1 3.7Å; F281-V326 HydrophobicContact CB-CG2 3.83Å; F281-V326 HydrophobicContact CD1-CG1 4.38Å; F281-V326 HydrophobicContact CD2-CG1 4.29Å; F281-V326 HydrophobicContact CD2-CG2 3.71Å; F281-V326 HydrophobicContact CG-CG1 3.9Å; F281-V326 HydrophobicContact CG-CG2 4.02Å |
| 282 | Y | 88.9 | Confident | 80.4 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 179.2 | -78.4 | 19.6 | 0 | 0 | 0 | 111.2 | K278 N279 F280 C284 I285 E286 V326 K329 | K278-Y282 HydrophobicContact CG-CD1 4.33Å; K278-Y282 HydrophobicContact CG-CD2 4.42Å; K278-Y282 HydrophobicContact CG-CE1 3.97Å; K278-Y282 HydrophobicContact CG-CE2 4.09Å; K278-Y282 WeakPolarHBondContact O-CB 3.34Å; K278-Y282 VanDerWaalsContact O-CD1 3.24Å; K278-Y282 WeakPolarHBondContact O-CD1 3.04Å; K278-Y282 VanDerWaalsContact O-CG 3.28Å; K278-Y282 PolarHBondContact O-N 3.39Å; N279-Y282 PolarHBondContact O-N 2.88Å; F280-Y282 VanDerWaalsContact C-N 3.32Å; F280-Y282 PolarHBondContact O-N 3.35Å; Y282-C284 VanDerWaalsContact C-N 3.32Å; Y282-C284 PolarHBondContact O-N 3.48Å; Y282-I285 PolarHBondContact O-N 2.99Å; Y282-E286 WeakPolarHBondContact O-CB 3.44Å; Y282-E286 PolarHBondContact O-N 3.22Å; Y282-V326 HydrophobicContact CE1-CG2 4.43Å; Y282-K329 HydrophobicContact CD1-CB 4.02Å; Y282-K329 HydrophobicContact CD1-CG 3.72Å; Y282-K329 HydrophobicContact CD2-CG 4.38Å; Y282-K329 HydrophobicContact CE1-CB 3.52Å; Y282-K329 HydrophobicContact CE1-CD 4.5Å; Y282-K329 HydrophobicContact CE1-CG 3.66Å; Y282-K329 HydrophobicContact CE2-CD 4.36Å; Y282-K329 HydrophobicContact CE2-CG 4.32Å; Y282-K329 HydrophobicContact CG-CG 4.09Å |
| 283 | S | 85.5 | Confident | 79.3 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | 175.8 | -53 | 0 | 0 | 0 | 0 | 112.2 | R240 E244 N279 F280 E286 Q287 | R240-S283 WeakPolarHBondContact CG-OG 3.06Å; E244-S283 VanDerWaalsContact OE1-CB 3.31Å; E244-S283 WeakPolarHBondContact OE1-CB 3.09Å; E244-S283 PolarHBondContact OE1-OG 3.44Å; N279-S283 PolarHBondContact O-N 3.36Å; N279-S283 PolarHBondContact O-OG 3.27Å; F280-S283 PolarHBondContact O-N 3.31Å; S283-E286 PolarHBondContact O-N 3.15Å; S283-Q287 VanDerWaalsContact O-CB 3.29Å; S283-Q287 WeakPolarHBondContact O-CB 3.31Å; S283-Q287 WeakPolarHBondContact O-CG 3.14Å; S283-Q287 PolarHBondContact O-N 2.99Å |
| 284 | C | 84.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 174.6 | -69.5 | 0 | 0 | 0 | 0 | 112.1 | I243 F257 F280 F281 Y282 E286 L288 | I243-C284 WeakPolarHBondContact CD1-SG 3.38Å; F257-C284 HydrophobicContact CD2-CB 3.93Å; F257-C284 VanDerWaalsContact CD2-SG 3.59Å; F257-C284 HydrophobicContact CE2-CB 3.77Å; F280-C284 VanDerWaalsContact CE1-SG 3.55Å; F280-C284 WeakPolarHBondContact CZ-SG 3.5Å; F280-C284 WeakPolarHBondContact O-CB 3.13Å; F280-C284 PolarHBondContact O-N 3.49Å; F280-C284 PolarHBondContact O-SG 3.26Å; F281-C284 PolarHBondContact O-N 2.85Å; Y282-C284 VanDerWaalsContact C-N 3.32Å; Y282-C284 PolarHBondContact O-N 3.48Å; C284-E286 VanDerWaalsContact C-N 3.34Å; C284-L288 HydrophobicContact CB-CD1 4.41Å; C284-L288 WeakPolarHBondContact O-CB 3.32Å; C284-L288 WeakPolarHBondContact O-CG 3.41Å; C284-L288 PolarHBondContact O-N 3.09Å |
| 285 | I | 85.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 179.1 | -65 | 161.4 | 0 | 0 | 0 | 109.7 | F281 Y282 R289 L306 L309 V326 K329 L330 L333 | F281-I285 WeakPolarHBondContact O-CD1 3.18Å; F281-I285 WeakPolarHBondContact O-CG1 3.26Å; F281-I285 PolarHBondContact O-N 2.74Å; Y282-I285 PolarHBondContact O-N 2.99Å; I285-R289 VanDerWaalsContact O-CB 3.22Å; I285-R289 WeakPolarHBondContact O-CB 3.35Å; I285-R289 PolarHBondContact O-N 3.47Å; I285-R289 VanDerWaalsContact O-N 3.15Å; I285-L306 HydrophobicContact CG1-CD2 4.33Å; I285-L309 HydrophobicContact CG1-CD2 4.27Å; I285-V326 HydrophobicContact CD1-CG1 4.1Å; I285-K329 HydrophobicContact CD1-CB 4.42Å; I285-K329 HydrophobicContact CD1-CG 4.39Å; I285-L330 HydrophobicContact CD1-CB 3.94Å; I285-L333 HydrophobicContact CB-CD1 4.31Å; I285-L333 HydrophobicContact CG2-CB 3.8Å; I285-L333 HydrophobicContact CG2-CD1 3.54Å; I285-L333 HydrophobicContact CG2-CG 4.25Å |
| 286 | E | 84 | Confident | 74.8 | Confident | 133 Ų | 133 | 53.5 Ų | 53.5 | 62% | 0.621 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.8 | -46 | -179.1 | -172.5 | 172.1 | -169.8 | 0 | 0 | 112.8 | Y282 S283 C284 | Y282-E286 WeakPolarHBondContact O-CB 3.44Å; Y282-E286 PolarHBondContact O-N 3.22Å; S283-E286 PolarHBondContact O-N 3.15Å; C284-E286 VanDerWaalsContact C-N 3.34Å |
| 287 | Q | 81.4 | Confident | 72.9 | Confident | 59 Ų | 59 | 59.7 Ų | 59.7 | 28% | 0.276 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -81 | -27.7 | -173.7 | -65.3 | -72.6 | -27.6 | 0 | 0 | 113.5 | I243 K253 S283 | I243-Q287 HydrophobicContact CG2-CB 3.78Å; I243-Q287 HydrophobicContact CG2-CG 4.08Å; I243-Q287 WeakPolarHBondContact O-CG 3.45Å; K253-Q287 HydrophobicContact CD-CB 4.5Å; S283-Q287 VanDerWaalsContact O-CB 3.29Å; S283-Q287 WeakPolarHBondContact O-CB 3.31Å; S283-Q287 WeakPolarHBondContact O-CG 3.14Å; S283-Q287 PolarHBondContact O-N 2.99Å |
| 288 | L | 81.6 | Confident | 70.9 | Confident | 9 Ų | 9 | 65.1 Ų | 65.1 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -90.7 | -21.3 | -178.9 | -60.7 | 176.1 | 0 | 0 | 0 | 113 | K250 K253 V254 F257 C284 V290 L306 | K250-L288 WeakPolarHBondContact CE-O 3Å; K250-L288 PolarHBondContact NZ-O 3.21Å; K253-L288 HydrophobicContact CB-CD2 3.66Å; V254-L288 HydrophobicContact CG2-CD2 3.77Å; F257-L288 HydrophobicContact CB-CD1 3.72Å; F257-L288 HydrophobicContact CD1-CD1 3.77Å; F257-L288 HydrophobicContact CD2-CD1 4.21Å; F257-L288 HydrophobicContact CE1-CD1 4.43Å; F257-L288 HydrophobicContact CG-CD1 3.62Å; C284-L288 HydrophobicContact CB-CD1 4.41Å; C284-L288 WeakPolarHBondContact O-CB 3.32Å; C284-L288 WeakPolarHBondContact O-CG 3.41Å; C284-L288 PolarHBondContact O-N 3.09Å; L288-V290 PolarHBondContact O-N 3.31Å; L288-L306 HydrophobicContact CB-CD2 4.21Å; L288-L306 HydrophobicContact CB-CG 4.47Å; L288-L306 HydrophobicContact CD1-CD2 4.4Å |
| 289 | R | 79.5 | Confident | 68.6 | Low | 78 Ų | 78 | 70.1 Ų | 70.1 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | trans | -55.5 | 134.1 | 177.8 | 171.9 | -179 | 174.1 | -174.3 | 5.4 | 111.2 | K250 I285 L306 L333 | K250-R289 VanDerWaalsContact NZ-C 3.34Å; K250-R289 PolarHBondContact NZ-O 3.15Å; I285-R289 VanDerWaalsContact O-CB 3.22Å; I285-R289 WeakPolarHBondContact O-CB 3.35Å; I285-R289 PolarHBondContact O-N 3.47Å; I285-R289 VanDerWaalsContact O-N 3.15Å; R289-L306 HydrophobicContact CB-CD1 4.4Å; R289-L333 WeakPolarHBondContact CD-O 3.39Å; R289-L333 PolarHBondContact NE-O 3.29Å; R289-L333 PolarHBondContact NH1-O 3.24Å; R289-L333 VanDerWaalsContact NH1-O 3.11Å; R289-L333 PolarHBondContact NH2-O 3.35Å | ||
| 290 | V | 72 | Confident | 66.9 | Low | 42 Ų | 42 | 76.1 Ų | 76.1 | 26% | 0.255 | 39% | 0.391 | S | S | . | . | trans | -87.5 | 118.6 | 163.3 | 179.2 | 0 | 0 | 0 | 0 | 108 | L288 P302 N303 | L288-V290 PolarHBondContact O-N 3.31Å; V290-P302 HydrophobicContact CB-CB 3.89Å; V290-P302 HydrophobicContact CB-CG 4.25Å; V290-P302 HydrophobicContact CG1-CB 4.06Å; V290-P302 HydrophobicContact CG1-CG 4.36Å; V290-P302 HydrophobicContact CG2-CB 3.98Å; V290-N303 PolarHBondContact N-OD1 3.45Å | ||
| 291 | P | 61 | Low | 65.3 | Low | 99 Ų | 99 | 78.2 Ų | 78.2 | 64% | 0.643 | 41% | 0.405 | S | S | * | . | trans | -74.7 | -32.5 | -176.1 | 27 | -32.3 | 0 | 0 | 0 | 113 | V293 | P291-V293 PolarHBondContact O-N 3.22Å; P291-V293 VanDerWaalsContact O-N 3.14Å | ||
| 292 | E | 53.8 | Low | 64 | Low | 169 Ų | 169 | 81.2 Ų | 81.2 | 79% | 0.79 | 43% | 0.425 | S | S | * | . | trans | -76.7 | 97.6 | 177.9 | -69.8 | 178.3 | -175 | 0 | 0 | 110.3 | ||||
| 293 | V | 50.5 | Low | 63.3 | Low | 48 Ų | 48 | 78.6 Ų | 78.6 | 29% | 0.291 | 41% | 0.414 | S | S | . | . | trans | -117.6 | 95.7 | 170.1 | -177 | 0 | 0 | 0 | 0 | 107.8 | P291 L295 P302 D336 | P291-V293 PolarHBondContact O-N 3.22Å; P291-V293 VanDerWaalsContact O-N 3.14Å; V293-L295 HydrophobicContact CG1-CD2 3.84Å; V293-L295 HydrophobicContact CG1-CG 4.05Å; V293-L295 PolarHBondContact O-N 3.05Å; V293-P302 HydrophobicContact CG2-CG 4.46Å; V293-D336 HydrophobicContact CG1-CB 3.86Å; V293-D336 HydrophobicContact CG2-CB 4.34Å | ||
| 294 | N | 50.4 | Low | 62.9 | Low | 125 Ų | 125 | 81.6 Ų | 81.6 | 67% | 0.668 | 43% | 0.429 | S | S | * | . | trans | -76.4 | 103.7 | 161.1 | -75.2 | -13.7 | 0 | 0 | 0 | 107.5 | D296 | N294-D296 PolarHBondContact O-N 3.04Š| ||
| 295 | L | 50.1 | Low | 62.4 | Low | 75 Ų | 75 | 83.7 Ų | 83.7 | 39% | 0.393 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 2.9 | 177.1 | -72.3 | 169.7 | 0 | 0 | 0 | 113.5 | V293 V384 | V293-L295 HydrophobicContact CG1-CD2 3.84Å; V293-L295 HydrophobicContact CG1-CG 4.05Å; V293-L295 PolarHBondContact O-N 3.05Å; L295-V384 HydrophobicContact CB-CG1 3.87Å; L295-V384 HydrophobicContact CD1-CG1 4.31Å; L295-V384 HydrophobicContact CD2-CG1 4.48Å; L295-V384 HydrophobicContact CG-CG1 4.46Å |
| 296 | D | 47.6 | Very low | 62.4 | Low | 78 Ų | 78 | 83.8 Ų | 83.8 | 42% | 0.417 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -22.8 | -175.8 | -68.5 | -33.4 | 0 | 0 | 0 | 114.4 | N294 | N294-D296 PolarHBondContact O-N 3.04Š|
| 297 | H | 42.7 | Very low | 62.3 | Low | 144 Ų | 144 | 79.4 Ų | 79.4 | 67% | 0.667 | 42% | 0.419 | S | S | * | . | trans | -111.8 | 116.6 | -176.1 | -65.7 | -56.9 | 0 | 0 | 0 | 111.4 | E299 | H297-E299 PolarHBondContact O-N 2.77Š| ||
| 298 | A | 42.2 | Very low | 62.3 | Low | 115 Ų | 115 | 80 Ų | 80 | 95% | 0.95 | 42% | 0.421 | S | S | * | . | trans | -67.4 | 14.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 299 | E | 38.3 | Very low | 62.4 | Low | 174 Ų | 174 | 79.6 Ų | 79.6 | 81% | 0.813 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -99.4 | 109.6 | -176.2 | -68.6 | -168.7 | 162 | 0 | 0 | 111.3 | H297 | H297-E299 PolarHBondContact O-N 2.77Š|
| 300 | K | 49.3 | Very low | 62.7 | Low | 182 Ų | 182 | 76 Ų | 76 | 79% | 0.791 | 41% | 0.405 | S | S | * | . | trans | 45.6 | 106.5 | 168.8 | -68.2 | 177.8 | -178.2 | 171 | 0 | 116.2 | ||||
| 301 | P | 53.3 | Low | 63.2 | Low | 44 Ų | 44 | 75.6 Ų | 75.6 | 29% | 0.286 | 40% | 0.402 | S | S | . | . | trans | -64.9 | 131 | -179.9 | 27 | -33.1 | 0 | 0 | 0 | 110.8 | N303 N304 | P301-N303 PolarHBondContact O-N 2.99Å; P301-N303 VanDerWaalsContact O-N 3.16Å; P301-N304 PolarHBondContact O-ND2 2.75Å | ||
| 302 | P | 61.8 | Low | 64.1 | Low | 64 Ų | 64 | 72.3 Ų | 72.3 | 42% | 0.416 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21.5 | -174.5 | 24.7 | -33.6 | 0 | 0 | 0 | 113.1 | V290 V293 N304 | V290-P302 HydrophobicContact CB-CB 3.89Å; V290-P302 HydrophobicContact CB-CG 4.25Å; V290-P302 HydrophobicContact CG1-CB 4.06Å; V290-P302 HydrophobicContact CG1-CG 4.36Å; V290-P302 HydrophobicContact CG2-CB 3.98Å; V293-P302 HydrophobicContact CG2-CG 4.46Å; P302-N304 PolarHBondContact O-N 3.4Å |
| 303 | N | 75 | Confident | 65.5 | Low | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 29.7 | -173.3 | -65.7 | -40.6 | 0 | 0 | 0 | 114.9 | V290 P301 I305 L306 Y307 D336 L337 | V290-N303 PolarHBondContact N-OD1 3.45Å; P301-N303 PolarHBondContact O-N 2.99Å; P301-N303 VanDerWaalsContact O-N 3.16Å; N303-I305 PolarHBondContact O-N 2.88Å; N303-L306 HydrophobicContact CB-CB 4.48Å; N303-L306 HydrophobicContact CB-CD1 4.43Å; N303-L306 PolarHBondContact O-N 2.96Å; N303-Y307 PolarHBondContact O-N 3.39Å; N303-Y307 VanDerWaalsContact O-N 3.11Å; N303-D336 PolarHBondContact ND2-OD1 3.4Å; N303-D336 VanDerWaalsContact ND2-OD1 3.1Å; N303-D336 PolarHBondContact ND2-OD2 3.07Å; N303-L337 HydrophobicContact CB-CD1 4.05Å; N303-L337 HydrophobicContact CB-CD2 3.95Å; N303-L337 HydrophobicContact CB-CG 4.12Å |
| 304 | N | 76.4 | Confident | 66.9 | Low | 72 Ų | 72 | 63.6 Ų | 63.6 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -50.5 | -34.1 | -177.7 | -80 | -33.6 | 0 | 0 | 0 | 115.5 | P301 P302 Y307 K308 R340 | P301-N304 PolarHBondContact O-ND2 2.75Å; P302-N304 PolarHBondContact O-N 3.4Å; N304-Y307 WeakPolarHBondContact O-CB 3.39Å; N304-Y307 PolarHBondContact O-N 3.47Å; N304-K308 PolarHBondContact O-N 2.83Å; N304-R340 PolarHBondContact OD1-NH1 2.91Å |
| 305 | I | 75.2 | Confident | 68.1 | Low | 45 Ų | 45 | 62.3 Ų | 62.3 | 23% | 0.231 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.8 | -37 | 179.8 | -65.5 | 116.5 | 0 | 0 | 0 | 111.6 | V254 F257 N303 Y307 K308 L309 | V254-I305 HydrophobicContact CB-CD1 4.22Å; V254-I305 HydrophobicContact CG1-CD1 3.25Å; V254-I305 HydrophobicContact CG1-CG1 3.73Å; V254-I305 HydrophobicContact CG2-CD1 3.91Å; F257-I305 HydrophobicContact CD1-CG2 3.52Å; F257-I305 HydrophobicContact CE1-CG2 4.03Å; N303-I305 PolarHBondContact O-N 2.88Å; I305-Y307 VanDerWaalsContact C-N 3.34Å; I305-K308 WeakPolarHBondContact O-CB 3.11Å; I305-K308 PolarHBondContact O-N 3.41Å; I305-L309 PolarHBondContact O-N 3.44Å |
| 306 | L | 83.5 | Confident | 69.3 | Low | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.3 | -32.2 | 175.1 | -64.8 | 177.6 | 0 | 0 | 0 | 111 | I285 L288 R289 N303 K308 L309 H310 L330 C334 L337 | I285-L306 HydrophobicContact CG1-CD2 4.33Å; L288-L306 HydrophobicContact CB-CD2 4.21Å; L288-L306 HydrophobicContact CB-CG 4.47Å; L288-L306 HydrophobicContact CD1-CD2 4.4Å; R289-L306 HydrophobicContact CB-CD1 4.4Å; N303-L306 HydrophobicContact CB-CB 4.48Å; N303-L306 HydrophobicContact CB-CD1 4.43Å; N303-L306 PolarHBondContact O-N 2.96Å; L306-K308 VanDerWaalsContact C-N 3.29Å; L306-K308 PolarHBondContact O-N 3.31Å; L306-L309 WeakPolarHBondContact O-CB 3.33Å; L306-L309 PolarHBondContact O-N 3.27Å; L306-L309 VanDerWaalsContact O-N 3.1Å; L306-H310 PolarHBondContact O-N 3.47Å; L306-H310 VanDerWaalsContact O-N 3.15Å; L306-L330 HydrophobicContact CB-CD1 4.19Å; L306-L330 WeakPolarHBondContact O-CD1 3.36Å; L306-C334 WeakPolarHBondContact CD1-SG 3.46Å; L306-L337 HydrophobicContact CB-CD1 3.8Å |
| 307 | Y | 82.3 | Confident | 70.4 | Confident | 41 Ų | 41 | 57 Ų | 57 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 169.1 | 172.5 | -103.5 | 0 | 0 | 0 | 112.3 | N303 N304 I305 L309 H310 V311 R340 Y344 | N303-Y307 PolarHBondContact O-N 3.39Å; N303-Y307 VanDerWaalsContact O-N 3.11Å; N304-Y307 WeakPolarHBondContact O-CB 3.39Å; N304-Y307 PolarHBondContact O-N 3.47Å; I305-Y307 VanDerWaalsContact C-N 3.34Å; Y307-L309 VanDerWaalsContact C-N 3.29Å; Y307-L309 PolarHBondContact O-N 3.08Å; Y307-H310 WeakPolarHBondContact O-CB 3.22Å; Y307-H310 PolarHBondContact O-N 3.04Å; Y307-H310 VanDerWaalsContact O-N 3.14Å; Y307-V311 HydrophobicContact CD1-CG2 4.39Å; Y307-V311 HydrophobicContact CE1-CG2 3.87Å; Y307-V311 HydrophobicContact CE2-CG2 4.26Å; Y307-V311 PolarHBondContact O-N 3.37Å; Y307-V311 VanDerWaalsContact O-N 3.08Å; Y307-R340 HydrophobicContact CD2-CB 4.26Å; Y307-R340 HydrophobicContact CD2-CG 3.98Å; Y307-R340 HydrophobicContact CE2-CB 4.15Å; Y307-R340 HydrophobicContact CE2-CG 3.62Å; Y307-Y344 WeakPolarHBondContact OH-CB 3.4Å; Y307-Y344 WeakPolarHBondContact OH-CD2 3.42Å |
| 308 | K | 82.5 | Confident | 71.5 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63 | -34.9 | 174.7 | -168.8 | -177.5 | -178.9 | -170.7 | 0 | 112.4 | H258 N304 I305 L306 H310 V311 D312 | H258-K308 PolarHBondContact CD2-NZ 2.89Å; H258-K308 PolarHBondContact NE2-NZ 3.31Å; N304-K308 PolarHBondContact O-N 2.83Å; I305-K308 WeakPolarHBondContact O-CB 3.11Å; I305-K308 PolarHBondContact O-N 3.41Å; L306-K308 VanDerWaalsContact C-N 3.29Å; L306-K308 PolarHBondContact O-N 3.31Å; K308-H310 VanDerWaalsContact C-N 3.34Å; K308-V311 PolarHBondContact O-N 3.45Å; K308-D312 PolarHBondContact O-N 2.85Å |
| 309 | L | 83.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 172.6 | 177.9 | 62.6 | 0 | 0 | 0 | 111.4 | F257 F281 I285 I305 L306 Y307 D312 L313 V326 L330 | F257-L309 HydrophobicContact CE1-CB 4.09Å; F257-L309 HydrophobicContact CZ-CB 3.95Å; F257-L309 HydrophobicContact CZ-CD1 3.86Å; F257-L309 HydrophobicContact CZ-CD2 3.84Å; F257-L309 HydrophobicContact CZ-CG 4.05Å; F281-L309 HydrophobicContact CD1-CD1 4Å; F281-L309 HydrophobicContact CD1-CD2 4.19Å; F281-L309 HydrophobicContact CE1-CD1 3.67Å; I285-L309 HydrophobicContact CG1-CD2 4.27Å; I305-L309 PolarHBondContact O-N 3.44Å; L306-L309 WeakPolarHBondContact O-CB 3.33Å; L306-L309 PolarHBondContact O-N 3.27Å; L306-L309 VanDerWaalsContact O-N 3.1Å; Y307-L309 VanDerWaalsContact C-N 3.29Å; Y307-L309 PolarHBondContact O-N 3.08Å; L309-D312 PolarHBondContact O-N 3.46Å; L309-L313 HydrophobicContact CD1-CD1 3.75Å; L309-L313 HydrophobicContact CD1-CG 3.87Å; L309-L313 HydrophobicContact CD2-CD1 4.3Å; L309-L313 HydrophobicContact CG-CD1 3.72Å; L309-L313 HydrophobicContact CG-CG 4.25Å; L309-L313 WeakPolarHBondContact O-CB 3.39Å; L309-L313 VanDerWaalsContact O-CG 3.24Å; L309-L313 WeakPolarHBondContact O-CG 3.46Å; L309-L313 PolarHBondContact O-N 2.91Å; L309-V326 HydrophobicContact CD2-CG1 4.41Å; L309-L330 HydrophobicContact CB-CD1 4.4Å; L309-L330 HydrophobicContact CD2-CD1 4.02Å; L309-L330 HydrophobicContact CG-CD1 4.41Å |
| 310 | H | 84.2 | Confident | 74.8 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -48.4 | 173.9 | -177.1 | 76.4 | 0 | 0 | 0 | 111.1 | L306 Y307 K308 D312 L313 I314 C341 D345 | L306-H310 PolarHBondContact O-N 3.47Å; L306-H310 VanDerWaalsContact O-N 3.15Å; Y307-H310 WeakPolarHBondContact O-CB 3.22Å; Y307-H310 PolarHBondContact O-N 3.04Å; Y307-H310 VanDerWaalsContact O-N 3.14Å; K308-H310 VanDerWaalsContact C-N 3.34Å; H310-D312 VanDerWaalsContact C-N 3.33Å; H310-D312 PolarHBondContact O-N 2.97Å; H310-L313 PolarHBondContact O-N 3.36Å; H310-L313 VanDerWaalsContact O-N 3.09Å; H310-I314 VanDerWaalsContact CD2-CD1 3.49Å; H310-I314 WeakPolarHBondContact CD2-CD1 3.5Å; H310-I314 WeakPolarHBondContact NE2-CD1 3.37Å; H310-I314 VanDerWaalsContact O-CG1 3.3Å; H310-I314 WeakPolarHBondContact O-CG1 3.15Å; H310-I314 PolarHBondContact O-N 2.96Å; H310-C341 PolarHBondContact CD2-SG 3.31Å; H310-C341 WeakPolarHBondContact NE2-CB 3.32Å; H310-D345 IonicContact CD2-OD1 3.13Å; H310-D345 IonicContact CE1-OD2 3.92Å; H310-D345 IonicContact NE2-OD1 3.19Å; H310-D345 PolarHBondContact NE2-OD1 3.05Å; H310-D345 VanDerWaalsContact NE2-OD1 3.12Å; H310-D345 IonicContact NE2-OD2 3.95Å; H310-D345 PolarHBondContact NE2-OD2 3Å |
| 311 | V | 82.6 | Confident | 76.2 | Confident | 32 Ų | 32 | 37.5 Ų | 37.5 | 19% | 0.194 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.4 | -42.8 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 112.4 | Y307 K308 L313 Y344 | Y307-V311 HydrophobicContact CD1-CG2 4.39Å; Y307-V311 HydrophobicContact CE1-CG2 3.87Å; Y307-V311 HydrophobicContact CE2-CG2 4.26Å; Y307-V311 PolarHBondContact O-N 3.37Å; Y307-V311 VanDerWaalsContact O-N 3.08Å; K308-V311 PolarHBondContact O-N 3.45Å; V311-L313 VanDerWaalsContact C-N 3.33Å; V311-L313 PolarHBondContact O-N 3.4Å; V311-Y344 HydrophobicContact CG1-CE1 4.32Å; V311-Y344 HydrophobicContact CG1-CE2 4.14Å; V311-Y344 HydrophobicContact CG2-CD1 4.31Å; V311-Y344 HydrophobicContact CG2-CD2 4.15Å; V311-Y344 HydrophobicContact CG2-CE1 4.26Å; V311-Y344 HydrophobicContact CG2-CE2 4.09Å; V311-Y344 HydrophobicContact CG2-CG 4.26Å |
| 312 | D | 81 | Confident | 77.6 | Confident | 31 Ų | 31 | 35.9 Ų | 35.9 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.5 | -24.4 | 178.9 | -70.9 | -20.6 | 0 | 0 | 0 | 112.5 | S261 C265 K308 L309 H310 | S261-D312 PolarHBondContact OG-OD2 3.49Å; C265-D312 HydrophobicContact CB-CB 4.48Å; K308-D312 PolarHBondContact O-N 2.85Å; L309-D312 PolarHBondContact O-N 3.46Å; H310-D312 VanDerWaalsContact C-N 3.33Å; H310-D312 PolarHBondContact O-N 2.97Å |
| 313 | L | 82.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -92.9 | -30.1 | -176.3 | -74.8 | 175.5 | 0 | 0 | 0 | 115.1 | C265 I268 L309 H310 V311 P315 H316 A317 V326 I327 | C265-L313 HydrophobicContact CB-CD2 4.47Å; I268-L313 HydrophobicContact CD1-CD2 3.21Å; L309-L313 HydrophobicContact CD1-CD1 3.75Å; L309-L313 HydrophobicContact CD1-CG 3.87Å; L309-L313 HydrophobicContact CD2-CD1 4.3Å; L309-L313 HydrophobicContact CG-CD1 3.72Å; L309-L313 HydrophobicContact CG-CG 4.25Å; L309-L313 WeakPolarHBondContact O-CB 3.39Å; L309-L313 VanDerWaalsContact O-CG 3.24Å; L309-L313 WeakPolarHBondContact O-CG 3.46Å; L309-L313 PolarHBondContact O-N 2.91Å; H310-L313 PolarHBondContact O-N 3.36Å; H310-L313 VanDerWaalsContact O-N 3.09Å; V311-L313 VanDerWaalsContact C-N 3.33Å; V311-L313 PolarHBondContact O-N 3.4Å; L313-P315 VanDerWaalsContact C-N 3.32Å; L313-H316 PolarHBondContact O-N 2.96Å; L313-A317 PolarHBondContact O-N 3.44Å; L313-V326 HydrophobicContact CD1-CB 4.11Å; L313-V326 HydrophobicContact CD1-CG1 3.53Å; L313-I327 HydrophobicContact CB-CD1 4.15Å; L313-I327 HydrophobicContact CB-CG1 4.15Å; L313-I327 HydrophobicContact CD1-CG1 4.2Å |
| 314 | I | 80.1 | Confident | 78.7 | Confident | 33 Ų | 33 | 38 Ų | 38 | 17% | 0.169 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -50.3 | -44.4 | -178.3 | -68.8 | 152 | 0 | 0 | 0 | 113 | H310 H316 A317 Y344 D345 | H310-I314 VanDerWaalsContact CD2-CD1 3.49Å; H310-I314 WeakPolarHBondContact CD2-CD1 3.5Å; H310-I314 WeakPolarHBondContact NE2-CD1 3.37Å; H310-I314 VanDerWaalsContact O-CG1 3.3Å; H310-I314 WeakPolarHBondContact O-CG1 3.15Å; H310-I314 PolarHBondContact O-N 2.96Å; I314-H316 PolarHBondContact O-N 2.92Å; I314-H316 VanDerWaalsContact O-N 3.08Å; I314-A317 WeakPolarHBondContact O-CB 3.34Å; I314-A317 PolarHBondContact O-N 3.48Å; I314-Y344 HydrophobicContact CD1-CD1 3.35Å; I314-Y344 HydrophobicContact CD1-CE1 3.41Å; I314-Y344 VanDerWaalsContact CD1-CE1 3.41Å; I314-D345 WeakPolarHBondContact CD1-OD1 3.22Å |
| 315 | P | 75.3 | Confident | 78.9 | Confident | 98 Ų | 98 | 36.1 Ų | 36.1 | 64% | 0.636 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -57.9 | -26.9 | -180 | -24.7 | 35.3 | 0 | 0 | 0 | 113.7 | L313 | L313-P315 VanDerWaalsContact C-N 3.32Å |
| 316 | H | 76.3 | Confident | 79.3 | Confident | 35 Ų | 35 | 34 Ų | 34 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -97.5 | -7.2 | 179.7 | -56.4 | -74.1 | 0 | 0 | 0 | 113.3 | E269 L313 I314 G318 S319 S320 A323 | E269-H316 IonicContact OE1-CE1 3.55Å; E269-H316 PolarHBondContact OE1-CE1 2.96Å; E269-H316 IonicContact OE1-ND1 2.75Å; E269-H316 PolarHBondContact OE1-ND1 2.97Å; L313-H316 PolarHBondContact O-N 2.96Å; I314-H316 PolarHBondContact O-N 2.92Å; I314-H316 VanDerWaalsContact O-N 3.08Å; H316-G318 VanDerWaalsContact C-N 3.25Å; H316-G318 PolarHBondContact O-N 3.3Å; H316-S319 PolarHBondContact O-N 2.97Å; H316-S319 PolarHBondContact O-OG 2.95Å; H316-S320 WeakPolarHBondContact O-CB 3.24Å; H316-S320 PolarHBondContact O-N 3.24Å; H316-A323 HydrophobicContact CB-CB 4.15Å |
| 317 | A | 70.7 | Confident | 79.3 | Confident | 7 Ų | 7 | 34 Ų | 34 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.4 | -28.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | L313 I314 R324 I327 L360 | L313-A317 PolarHBondContact O-N 3.44Å; I314-A317 WeakPolarHBondContact O-CB 3.34Å; I314-A317 PolarHBondContact O-N 3.48Å; A317-R324 WeakPolarHBondContact O-CD 3.46Å; A317-R324 VanDerWaalsContact O-CG 3.26Å; A317-R324 WeakPolarHBondContact O-CG 3.31Å; A317-R324 PolarHBondContact O-NE 2.63Å; A317-I327 HydrophobicContact CB-CD1 3.75Å; A317-L360 HydrophobicContact CB-CD1 4.43Å; A317-L360 HydrophobicContact CB-CD2 4.15Å |
| 318 | G | 65.8 | Low | 79.3 | Confident | 45 Ų | 45 | 32.9 Ų | 32.9 | 46% | 0.464 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H316 | H316-G318 VanDerWaalsContact C-N 3.25Å; H316-G318 PolarHBondContact O-N 3.3Å |
| 319 | S | 71.1 | Confident | 79.3 | Confident | 80 Ų | 80 | 32.2 Ų | 32.2 | 56% | 0.559 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -37.8 | -174.6 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | H316 | H316-S319 PolarHBondContact O-N 2.97Å; H316-S319 PolarHBondContact O-OG 2.95Å |
| 320 | S | 78.4 | Confident | 79.2 | Confident | 8 Ų | 8 | 32.4 Ų | 32.4 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | trans | -105.2 | 127.4 | -169.8 | 179.4 | 0 | 0 | 0 | 0 | 113.5 | I268 H316 L322 A323 R324 | I268-S320 WeakPolarHBondContact CG2-OG 3.4Å; H316-S320 WeakPolarHBondContact O-CB 3.24Å; H316-S320 PolarHBondContact O-N 3.24Å; S320-L322 VanDerWaalsContact C-N 3.29Å; S320-L322 PolarHBondContact OG-N 2.6Å; S320-A323 PolarHBondContact O-N 3Å; S320-A323 PolarHBondContact OG-N 2.91Å; S320-R324 PolarHBondContact O-N 3.36Å | ||
| 321 | P | 78.9 | Confident | 79 | Confident | 72 Ų | 72 | 32.5 Ų | 32.5 | 47% | 0.468 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.5 | -30.1 | 170.8 | 28.5 | -33 | 0 | 0 | 0 | 112.1 | R324 A325 | P321-R324 PolarHBondContact O-N 3.1Å; P321-A325 PolarHBondContact O-N 3.48Å |
| 322 | L | 81.5 | Confident | 78.7 | Confident | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 175.3 | 175.6 | 66.8 | 0 | 0 | 0 | 111.1 | I268 L277 K278 S320 R324 A325 V326 | I268-L322 HydrophobicContact CG1-CD2 4.41Å; I268-L322 HydrophobicContact CG2-CD2 4.42Å; L277-L322 HydrophobicContact CB-CD2 3.71Å; L277-L322 HydrophobicContact CD1-CD2 4.08Å; K278-L322 HydrophobicContact CB-CD1 3.61Å; K278-L322 HydrophobicContact CG-CD1 4.18Å; S320-L322 VanDerWaalsContact C-N 3.29Å; S320-L322 PolarHBondContact OG-N 2.6Å; L322-R324 PolarHBondContact O-N 3.46Å; L322-A325 PolarHBondContact O-N 2.78Å; L322-A325 VanDerWaalsContact O-N 3.08Å; L322-V326 HydrophobicContact CD1-CG2 4.12Å; L322-V326 HydrophobicContact CG-CG2 4.38Å; L322-V326 WeakPolarHBondContact O-CG2 3.44Å; L322-V326 PolarHBondContact O-N 3.07Å |
| 323 | A | 81.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.7 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I268 H316 S320 V326 I327 | I268-A323 HydrophobicContact CG2-CB 4.42Å; H316-A323 HydrophobicContact CB-CB 4.15Å; S320-A323 PolarHBondContact O-N 3Å; S320-A323 PolarHBondContact OG-N 2.91Å; A323-V326 PolarHBondContact O-N 2.86Å; A323-I327 VanDerWaalsContact O-CG1 3.25Å; A323-I327 WeakPolarHBondContact O-CG1 3.35Å; A323-I327 PolarHBondContact O-N 3.03Å |
| 324 | R | 79 | Confident | 78.3 | Confident | 111 Ų | 111 | 33.9 Ų | 33.9 | 42% | 0.419 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 173.6 | -70.6 | -175.1 | -90 | 157.1 | -6.5 | 112.4 | A317 S320 P321 L322 V326 I327 V328 L360 | A317-R324 WeakPolarHBondContact O-CD 3.46Å; A317-R324 VanDerWaalsContact O-CG 3.26Å; A317-R324 WeakPolarHBondContact O-CG 3.31Å; A317-R324 PolarHBondContact O-NE 2.63Å; S320-R324 PolarHBondContact O-N 3.36Å; P321-R324 PolarHBondContact O-N 3.1Å; L322-R324 PolarHBondContact O-N 3.46Å; R324-V326 VanDerWaalsContact C-N 3.32Å; R324-V326 PolarHBondContact O-N 3.18Å; R324-I327 PolarHBondContact O-N 3.28Å; R324-V328 VanDerWaalsContact O-CG2 3.27Å; R324-V328 WeakPolarHBondContact O-CG2 3.38Å; R324-V328 PolarHBondContact O-N 3.03Å; R324-L360 HydrophobicContact CB-CD1 4.45Å; R324-L360 HydrophobicContact CG-CD1 3.75Å |
| 325 | A | 81.5 | Confident | 77.9 | Confident | 33 Ų | 33 | 33 Ų | 33 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.3 | -39.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P321 L322 V328 K329 | P321-A325 PolarHBondContact O-N 3.48Å; L322-A325 PolarHBondContact O-N 2.78Å; L322-A325 VanDerWaalsContact O-N 3.08Å; A325-V328 PolarHBondContact O-N 2.92Å; A325-K329 PolarHBondContact O-N 3.05Å |
| 326 | V | 83.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69 | -43.7 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | F281 Y282 I285 L309 L313 L322 A323 R324 V328 K329 L330 | F281-V326 HydrophobicContact CB-CB 4.47Å; F281-V326 HydrophobicContact CB-CG1 3.7Å; F281-V326 HydrophobicContact CB-CG2 3.83Å; F281-V326 HydrophobicContact CD1-CG1 4.38Å; F281-V326 HydrophobicContact CD2-CG1 4.29Å; F281-V326 HydrophobicContact CD2-CG2 3.71Å; F281-V326 HydrophobicContact CG-CG1 3.9Å; F281-V326 HydrophobicContact CG-CG2 4.02Å; Y282-V326 HydrophobicContact CE1-CG2 4.43Å; I285-V326 HydrophobicContact CD1-CG1 4.1Å; L309-V326 HydrophobicContact CD2-CG1 4.41Å; L313-V326 HydrophobicContact CD1-CB 4.11Å; L313-V326 HydrophobicContact CD1-CG1 3.53Å; L322-V326 HydrophobicContact CD1-CG2 4.12Å; L322-V326 HydrophobicContact CG-CG2 4.38Å; L322-V326 WeakPolarHBondContact O-CG2 3.44Å; L322-V326 PolarHBondContact O-N 3.07Å; A323-V326 PolarHBondContact O-N 2.86Å; R324-V326 VanDerWaalsContact C-N 3.32Å; R324-V326 PolarHBondContact O-N 3.18Å; V326-V328 VanDerWaalsContact C-N 3.3Å; V326-V328 PolarHBondContact O-N 3.18Å; V326-K329 PolarHBondContact O-N 2.74Å; V326-L330 WeakPolarHBondContact O-CB 3.31Å; V326-L330 PolarHBondContact O-N 3.31Å |
| 327 | I | 83.6 | Confident | 77.7 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 174.8 | -68.7 | 167.4 | 0 | 0 | 0 | 110.3 | L313 A317 A323 R324 L330 A331 L364 | L313-I327 HydrophobicContact CB-CD1 4.15Å; L313-I327 HydrophobicContact CB-CG1 4.15Å; L313-I327 HydrophobicContact CD1-CG1 4.2Å; A317-I327 HydrophobicContact CB-CD1 3.75Å; A323-I327 VanDerWaalsContact O-CG1 3.25Å; A323-I327 WeakPolarHBondContact O-CG1 3.35Å; A323-I327 PolarHBondContact O-N 3.03Å; R324-I327 PolarHBondContact O-N 3.28Å; I327-L330 PolarHBondContact O-N 3.17Å; I327-A331 WeakPolarHBondContact O-CB 3.37Å; I327-A331 PolarHBondContact O-N 3Å; I327-L364 HydrophobicContact CG2-CD1 3.72Å |
| 328 | V | 81.5 | Confident | 78.1 | Confident | 19 Ų | 19 | 27.9 Ų | 27.9 | 12% | 0.115 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 175.4 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | R324 A325 V326 L330 A331 Q332 D367 | R324-V328 VanDerWaalsContact O-CG2 3.27Å; R324-V328 WeakPolarHBondContact O-CG2 3.38Å; R324-V328 PolarHBondContact O-N 3.03Å; A325-V328 PolarHBondContact O-N 2.92Å; V326-V328 VanDerWaalsContact C-N 3.3Å; V326-V328 PolarHBondContact O-N 3.18Å; V328-L330 VanDerWaalsContact C-N 3.34Å; V328-L330 PolarHBondContact O-N 3.34Å; V328-A331 PolarHBondContact O-N 2.78Å; V328-Q332 HydrophobicContact CG1-CG 4.4Å; V328-Q332 WeakPolarHBondContact O-CB 3.17Å; V328-Q332 VanDerWaalsContact O-CG 3.3Å; V328-Q332 WeakPolarHBondContact O-CG 3.43Å; V328-Q332 PolarHBondContact O-N 3.28Å; V328-D367 HydrophobicContact CG1-CB 3.99Å |
| 329 | K | 81.9 | Confident | 78.5 | Confident | 58 Ų | 58 | 29.2 Ų | 29.2 | 25% | 0.252 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 177.4 | -171.4 | 63.3 | 169.9 | 177.8 | 0 | 112.6 | Y282 I285 A325 V326 Q332 L333 | Y282-K329 HydrophobicContact CD1-CB 4.02Å; Y282-K329 HydrophobicContact CD1-CG 3.72Å; Y282-K329 HydrophobicContact CD2-CG 4.38Å; Y282-K329 HydrophobicContact CE1-CB 3.52Å; Y282-K329 HydrophobicContact CE1-CD 4.5Å; Y282-K329 HydrophobicContact CE1-CG 3.66Å; Y282-K329 HydrophobicContact CE2-CD 4.36Å; Y282-K329 HydrophobicContact CE2-CG 4.32Å; Y282-K329 HydrophobicContact CG-CG 4.09Å; I285-K329 HydrophobicContact CD1-CB 4.42Å; I285-K329 HydrophobicContact CD1-CG 4.39Å; A325-K329 PolarHBondContact O-N 3.05Å; V326-K329 PolarHBondContact O-N 2.74Å; K329-Q332 WeakPolarHBondContact O-CB 3.5Å; K329-Q332 PolarHBondContact O-N 3.08Å; K329-L333 HydrophobicContact CD-CD1 4.25Å; K329-L333 HydrophobicContact CD-CG 4.44Å; K329-L333 HydrophobicContact CG-CD1 4.28Å; K329-L333 PolarHBondContact O-N 2.89Å |
| 330 | L | 82.8 | Confident | 78.7 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 175.4 | -178 | 144.4 | 0 | 0 | 0 | 111 | I285 L306 L309 V326 I327 V328 Q332 L333 C334 L337 | I285-L330 HydrophobicContact CD1-CB 3.94Å; L306-L330 HydrophobicContact CB-CD1 4.19Å; L306-L330 WeakPolarHBondContact O-CD1 3.36Å; L309-L330 HydrophobicContact CB-CD1 4.4Å; L309-L330 HydrophobicContact CD2-CD1 4.02Å; L309-L330 HydrophobicContact CG-CD1 4.41Å; V326-L330 WeakPolarHBondContact O-CB 3.31Å; V326-L330 PolarHBondContact O-N 3.31Å; I327-L330 PolarHBondContact O-N 3.17Å; V328-L330 VanDerWaalsContact C-N 3.34Å; V328-L330 PolarHBondContact O-N 3.34Å; L330-Q332 VanDerWaalsContact C-N 3.3Å; L330-Q332 PolarHBondContact O-N 2.94Å; L330-L333 PolarHBondContact O-N 2.9Å; L330-C334 WeakPolarHBondContact O-CA 3.18Å; L330-C334 WeakPolarHBondContact O-CB 3.35Å; L330-C334 PolarHBondContact O-N 3.47Å; L330-L337 HydrophobicContact CD2-CD1 4.01Å |
| 331 | A | 78.9 | Confident | 78.8 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 5% | 0.05 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.7 | -31.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I327 V328 L364 T368 | I327-A331 WeakPolarHBondContact O-CB 3.37Å; I327-A331 PolarHBondContact O-N 3Å; V328-A331 PolarHBondContact O-N 2.78Å; A331-L364 HydrophobicContact CB-CD1 4.14Å; A331-L364 HydrophobicContact CB-CD2 3.79Å; A331-L364 HydrophobicContact CB-CG 4.05Å; A331-T368 HydrophobicContact CB-CG2 3.86Å |
| 332 | Q | 76.5 | Confident | 78.9 | Confident | 58 Ų | 58 | 25.9 Ų | 25.9 | 27% | 0.271 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 174.4 | -79.9 | 178.8 | -9.7 | 0 | 0 | 112.3 | V328 K329 L330 T368 N371 | V328-Q332 HydrophobicContact CG1-CG 4.4Å; V328-Q332 WeakPolarHBondContact O-CB 3.17Å; V328-Q332 VanDerWaalsContact O-CG 3.3Å; V328-Q332 WeakPolarHBondContact O-CG 3.43Å; V328-Q332 PolarHBondContact O-N 3.28Å; K329-Q332 WeakPolarHBondContact O-CB 3.5Å; K329-Q332 PolarHBondContact O-N 3.08Å; L330-Q332 VanDerWaalsContact C-N 3.3Å; L330-Q332 PolarHBondContact O-N 2.94Å; Q332-T368 HydrophobicContact CG-CG2 3.79Å; Q332-N371 VanDerWaalsContact CA-ND2 3.28Å; Q332-N371 WeakPolarHBondContact CA-ND2 3.29Å; Q332-N371 PolarHBondContact O-ND2 2.84Å |
| 333 | L | 77.7 | Confident | 78.7 | Confident | 34 Ų | 34 | 31.3 Ų | 31.3 | 18% | 0.178 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -91.4 | -30.9 | -176.5 | -67.4 | 178.2 | 0 | 0 | 0 | 113 | I285 R289 K329 L330 P335 | I285-L333 HydrophobicContact CB-CD1 4.31Å; I285-L333 HydrophobicContact CG2-CB 3.8Å; I285-L333 HydrophobicContact CG2-CD1 3.54Å; I285-L333 HydrophobicContact CG2-CG 4.25Å; R289-L333 WeakPolarHBondContact CD-O 3.39Å; R289-L333 PolarHBondContact NE-O 3.29Å; R289-L333 PolarHBondContact NH1-O 3.24Å; R289-L333 VanDerWaalsContact NH1-O 3.11Å; R289-L333 PolarHBondContact NH2-O 3.35Å; K329-L333 HydrophobicContact CD-CD1 4.25Å; K329-L333 HydrophobicContact CD-CG 4.44Å; K329-L333 HydrophobicContact CG-CD1 4.28Å; K329-L333 PolarHBondContact O-N 2.89Å; L330-L333 PolarHBondContact O-N 2.9Å; L333-P335 WeakPolarHBondContact O-CD 3.29Å |
| 334 | C | 77.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -121.7 | 71.1 | -176.9 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | L306 L330 D336 L337 | L306-C334 WeakPolarHBondContact CD1-SG 3.46Å; L330-C334 WeakPolarHBondContact O-CA 3.18Å; L330-C334 WeakPolarHBondContact O-CB 3.35Å; L330-C334 PolarHBondContact O-N 3.47Å; C334-D336 VanDerWaalsContact C-OD1 3.27Å; C334-D336 WeakPolarHBondContact CA-OD1 3.26Å; C334-D336 PolarHBondContact O-N 2.98Å; C334-L337 HydrophobicContact CB-CD1 3.77Å; C334-L337 HydrophobicContact CB-CG 4.03Å; C334-L337 WeakPolarHBondContact O-CB 3.26Å; C334-L337 PolarHBondContact O-N 2.91Å; C334-L337 VanDerWaalsContact O-N 3.16Å | ||
| 335 | P | 72.8 | Confident | 78.5 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 8% | 0.084 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -65 | -23.6 | -179.4 | 18.9 | -25.3 | 0 | 0 | 0 | 113.6 | L333 L337 M338 F375 F388 | L333-P335 WeakPolarHBondContact O-CD 3.29Å; P335-L337 PolarHBondContact O-N 3.3Å; P335-M338 WeakPolarHBondContact O-CB 3.5Å; P335-M338 PolarHBondContact O-N 3.23Å; P335-M338 VanDerWaalsContact O-N 3.1Å; P335-F375 HydrophobicContact CB-CE2 3.88Å; P335-F375 HydrophobicContact CB-CZ 3.93Å; P335-F375 HydrophobicContact CG-CE1 4.16Å; P335-F375 HydrophobicContact CG-CE2 3.43Å; P335-F375 VanDerWaalsContact CG-CE2 3.43Å; P335-F375 HydrophobicContact CG-CZ 3.12Å; P335-F388 HydrophobicContact CB-CD2 4.29Å; P335-F388 HydrophobicContact CB-CE2 3.27Å; P335-F388 HydrophobicContact CB-CZ 3.6Å |
| 336 | D | 70.4 | Confident | 78.2 | Confident | 28 Ų | 28 | 29.5 Ų | 29.5 | 15% | 0.15 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -59 | -26.7 | 173.5 | 61.7 | -55.7 | 0 | 0 | 0 | 113 | V293 N303 C334 | V293-D336 HydrophobicContact CG1-CB 3.86Å; V293-D336 HydrophobicContact CG2-CB 4.34Å; N303-D336 PolarHBondContact ND2-OD1 3.4Å; N303-D336 VanDerWaalsContact ND2-OD1 3.1Å; N303-D336 PolarHBondContact ND2-OD2 3.07Å; C334-D336 VanDerWaalsContact C-OD1 3.27Å; C334-D336 WeakPolarHBondContact CA-OD1 3.26Å; C334-D336 PolarHBondContact O-N 2.98Å |
| 337 | L | 77.1 | Confident | 77.6 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -80.4 | -16.7 | 178.7 | -62 | -178.6 | 0 | 0 | 0 | 113.2 | N303 L306 L330 C334 P335 N339 R340 C341 | N303-L337 HydrophobicContact CB-CD1 4.05Å; N303-L337 HydrophobicContact CB-CD2 3.95Å; N303-L337 HydrophobicContact CB-CG 4.12Å; L306-L337 HydrophobicContact CB-CD1 3.8Å; L330-L337 HydrophobicContact CD2-CD1 4.01Å; C334-L337 HydrophobicContact CB-CD1 3.77Å; C334-L337 HydrophobicContact CB-CG 4.03Å; C334-L337 WeakPolarHBondContact O-CB 3.26Å; C334-L337 PolarHBondContact O-N 2.91Å; C334-L337 VanDerWaalsContact O-N 3.16Å; P335-L337 PolarHBondContact O-N 3.3Å; L337-N339 PolarHBondContact O-N 3.35Å; L337-R340 PolarHBondContact O-N 3.4Å; L337-R340 VanDerWaalsContact O-N 3.11Å; L337-C341 WeakPolarHBondContact O-CB 3.4Å; L337-C341 PolarHBondContact O-N 2.93Å; L337-C341 PolarHBondContact O-SG 3.2Å |
| 338 | M | 78.2 | Confident | 76.5 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.1 | -47.1 | -172 | -78 | -177.4 | 61.5 | 0 | 0 | 113 | P335 L342 W361 L365 F388 | P335-M338 WeakPolarHBondContact O-CB 3.5Å; P335-M338 PolarHBondContact O-N 3.23Å; P335-M338 VanDerWaalsContact O-N 3.1Å; M338-L342 WeakPolarHBondContact O-CB 3.2Å; M338-L342 WeakPolarHBondContact O-CG 3.42Å; M338-L342 PolarHBondContact O-N 3.46Å; M338-W361 HydrophobicContact CE-CZ3 4.16Å; M338-L365 HydrophobicContact CE-CD2 3.79Å; M338-F388 HydrophobicContact SD-CD2 4.17Å; M338-F388 HydrophobicContact SD-CE2 3.43Å; M338-F388 WeakPolarHBondContact SD-CE2 3.23Å; M338-F388 HydrophobicContact SD-CZ 4.13Å |
| 339 | N | 75.6 | Confident | 75.6 | Confident | 72 Ų | 72 | 37.8 Ų | 37.8 | 39% | 0.385 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.6 | -41.2 | -179.8 | -79.6 | -20.3 | 0 | 0 | 0 | 112.4 | L337 L342 E343 | L337-N339 PolarHBondContact O-N 3.35Å; N339-L342 WeakPolarHBondContact O-CB 3.24Å; N339-L342 PolarHBondContact O-N 3Å; N339-E343 WeakPolarHBondContact O-CG 3.47Å; N339-E343 PolarHBondContact O-N 2.93Å |
| 340 | R | 74.6 | Confident | 74.7 | Confident | 87 Ų | 87 | 39.3 Ų | 39.3 | 33% | 0.328 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -70.9 | -36.9 | 179.8 | -160.2 | -179 | -175.5 | 173.4 | -1.1 | 112.2 | N304 Y307 L337 E343 Y344 | N304-R340 PolarHBondContact OD1-NH1 2.91Å; Y307-R340 HydrophobicContact CD2-CB 4.26Å; Y307-R340 HydrophobicContact CD2-CG 3.98Å; Y307-R340 HydrophobicContact CE2-CB 4.15Å; Y307-R340 HydrophobicContact CE2-CG 3.62Å; L337-R340 PolarHBondContact O-N 3.4Å; L337-R340 VanDerWaalsContact O-N 3.11Å; R340-E343 PolarHBondContact O-N 2.85Å; R340-Y344 PolarHBondContact O-N 3.2Å; R340-Y344 VanDerWaalsContact O-N 3.1Å |
| 341 | C | 80.8 | Confident | 73.5 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 170.6 | -70.1 | 0 | 0 | 0 | 0 | 110.6 | H310 L337 E343 Y344 D345 W361 | H310-C341 PolarHBondContact CD2-SG 3.31Å; H310-C341 WeakPolarHBondContact NE2-CB 3.32Å; L337-C341 WeakPolarHBondContact O-CB 3.4Å; L337-C341 PolarHBondContact O-N 2.93Å; L337-C341 PolarHBondContact O-SG 3.2Å; C341-E343 PolarHBondContact O-N 3.43Å; C341-Y344 PolarHBondContact O-N 2.88Å; C341-D345 WeakPolarHBondContact O-CB 3.5Å; C341-D345 PolarHBondContact O-N 3.38Å; C341-W361 HydrophobicContact CB-CH2 4.41Å; C341-W361 HydrophobicContact CB-CZ2 4.18Å |
| 342 | L | 79.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 174 | -80.8 | 166.4 | 0 | 0 | 0 | 112.3 | M338 N339 D345 C346 W361 P391 L393 A394 | M338-L342 WeakPolarHBondContact O-CB 3.2Å; M338-L342 WeakPolarHBondContact O-CG 3.42Å; M338-L342 PolarHBondContact O-N 3.46Å; N339-L342 WeakPolarHBondContact O-CB 3.24Å; N339-L342 PolarHBondContact O-N 3Å; L342-D345 PolarHBondContact O-N 3.5Å; L342-C346 VanDerWaalsContact O-CB 3.25Å; L342-C346 WeakPolarHBondContact O-CB 3.45Å; L342-C346 PolarHBondContact O-N 2.79Å; L342-C346 PolarHBondContact O-SG 3.34Å; L342-W361 HydrophobicContact CB-CH2 4.48Å; L342-W361 HydrophobicContact CB-CZ2 4.32Å; L342-W361 HydrophobicContact CD1-CH2 4.09Å; L342-W361 HydrophobicContact CD1-CZ3 4.01Å; L342-W361 HydrophobicContact CD2-CD2 3.45Å; L342-W361 VanDerWaalsContact CD2-CD2 3.45Å; L342-W361 HydrophobicContact CD2-CE3 3.65Å; L342-W361 HydrophobicContact CD2-CG 4.16Å; L342-W361 HydrophobicContact CD2-CH2 3.73Å; L342-W361 HydrophobicContact CD2-CZ2 3.5Å; L342-W361 HydrophobicContact CD2-CZ3 3.77Å; L342-W361 HydrophobicContact CG-CD2 4.26Å; L342-W361 HydrophobicContact CG-CE3 4.13Å; L342-W361 HydrophobicContact CG-CH2 3.39Å; L342-W361 HydrophobicContact CG-CZ2 3.48Å; L342-W361 VanDerWaalsContact CG-CZ2 3.48Å; L342-W361 HydrophobicContact CG-CZ3 3.7Å; L342-P391 HydrophobicContact CD1-CB 3.47Å; L342-P391 VanDerWaalsContact CD1-CB 3.47Å; L342-P391 HydrophobicContact CD1-CG 3.71Å; L342-L393 HydrophobicContact CB-CD2 4.05Å; L342-A394 HydrophobicContact CD1-CB 4.17Å; L342-A394 HydrophobicContact CD2-CB 4.01Å |
| 343 | E | 77.6 | Confident | 72.2 | Confident | 124 Ų | 124 | 51.2 Ų | 51.2 | 58% | 0.579 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.2 | -45.9 | 177.4 | -77.8 | 173 | -176.2 | 0 | 0 | 112 | N339 R340 C341 G347 L393 | N339-E343 WeakPolarHBondContact O-CG 3.47Å; N339-E343 PolarHBondContact O-N 2.93Å; R340-E343 PolarHBondContact O-N 2.85Å; C341-E343 PolarHBondContact O-N 3.43Å; E343-G347 PolarHBondContact O-N 3.47Å; E343-L393 HydrophobicContact CB-CD2 4.27Å; E343-L393 HydrophobicContact CG-CD2 3.68Å |
| 344 | Y | 79.6 | Confident | 72 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 176.9 | -176.7 | -92.4 | 0 | 0 | 0 | 112.2 | Y307 V311 I314 R340 C341 C346 G347 N348 | Y307-Y344 WeakPolarHBondContact OH-CB 3.4Å; Y307-Y344 WeakPolarHBondContact OH-CD2 3.42Å; V311-Y344 HydrophobicContact CG1-CE1 4.32Å; V311-Y344 HydrophobicContact CG1-CE2 4.14Å; V311-Y344 HydrophobicContact CG2-CD1 4.31Å; V311-Y344 HydrophobicContact CG2-CD2 4.15Å; V311-Y344 HydrophobicContact CG2-CE1 4.26Å; V311-Y344 HydrophobicContact CG2-CE2 4.09Å; V311-Y344 HydrophobicContact CG2-CG 4.26Å; I314-Y344 HydrophobicContact CD1-CD1 3.35Å; I314-Y344 HydrophobicContact CD1-CE1 3.41Å; I314-Y344 VanDerWaalsContact CD1-CE1 3.41Å; R340-Y344 PolarHBondContact O-N 3.2Å; R340-Y344 VanDerWaalsContact O-N 3.1Å; C341-Y344 PolarHBondContact O-N 2.88Å; Y344-C346 VanDerWaalsContact C-N 3.33Å; Y344-C346 PolarHBondContact O-N 3.01Å; Y344-G347 PolarHBondContact O-N 3.42Å; Y344-N348 VanDerWaalsContact CE2-ND2 3.31Å; Y344-N348 WeakPolarHBondContact CE2-ND2 3.45Å; Y344-N348 PolarHBondContact O-N 2.88Å |
| 345 | D | 77.8 | Confident | 72 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -39.3 | -179.1 | -65.4 | -7.9 | 0 | 0 | 0 | 111.3 | H310 I314 C341 L342 I357 W361 | H310-D345 IonicContact CD2-OD1 3.13Å; H310-D345 IonicContact CE1-OD2 3.92Å; H310-D345 IonicContact NE2-OD1 3.19Å; H310-D345 PolarHBondContact NE2-OD1 3.05Å; H310-D345 VanDerWaalsContact NE2-OD1 3.12Å; H310-D345 IonicContact NE2-OD2 3.95Å; H310-D345 PolarHBondContact NE2-OD2 3Å; I314-D345 WeakPolarHBondContact CD1-OD1 3.22Å; C341-D345 WeakPolarHBondContact O-CB 3.5Å; C341-D345 PolarHBondContact O-N 3.38Å; L342-D345 PolarHBondContact O-N 3.5Å; D345-I357 HydrophobicContact CB-CG2 4.04Å; D345-W361 PolarHBondContact OD2-NE1 2.84Å |
| 346 | C | 74.6 | Confident | 72.2 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.8 | -37 | 177.8 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | L342 Y344 N348 S349 L393 S397 | L342-C346 VanDerWaalsContact O-CB 3.25Å; L342-C346 WeakPolarHBondContact O-CB 3.45Å; L342-C346 PolarHBondContact O-N 2.79Å; L342-C346 PolarHBondContact O-SG 3.34Å; Y344-C346 VanDerWaalsContact C-N 3.33Å; Y344-C346 PolarHBondContact O-N 3.01Å; C346-N348 PolarHBondContact O-N 3.1Å; C346-S349 PolarHBondContact O-OG 3.2Å; C346-L393 HydrophobicContact CB-CD2 4.43Å; C346-S397 PolarHBondContact SG-OG 3.29Å |
| 347 | G | 70.3 | Confident | 72.6 | Confident | 63 Ų | 63 | 60.7 Ų | 60.7 | 65% | 0.649 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -68.2 | -28.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E343 Y344 | E343-G347 PolarHBondContact O-N 3.47Å; Y344-G347 PolarHBondContact O-N 3.42Å |
| 348 | N | 61.9 | Low | 72.8 | Confident | 111 Ų | 111 | 60.6 Ų | 60.6 | 59% | 0.594 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 17.3 | -172.6 | -70.7 | -33.1 | 0 | 0 | 0 | 114.8 | Y344 C346 | Y344-N348 VanDerWaalsContact CE2-ND2 3.31Å; Y344-N348 WeakPolarHBondContact CE2-ND2 3.45Å; Y344-N348 PolarHBondContact O-N 2.88Å; C346-N348 PolarHBondContact O-N 3.1Å |
| 349 | S | 61.5 | Low | 73 | Confident | 22 Ų | 22 | 64.4 Ų | 64.4 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | trans | -95 | 123.5 | -170.1 | 65.5 | 0 | 0 | 0 | 0 | 115.3 | C346 T353 R354 | C346-S349 PolarHBondContact O-OG 3.2Å; S349-T353 VanDerWaalsContact CA-OG1 3.29Å; S349-T353 WeakPolarHBondContact CA-OG1 3.45Å; S349-R354 VanDerWaalsContact OG-CG 3.32Å; S349-R354 WeakPolarHBondContact OG-CG 3.17Å; S349-R354 PolarHBondContact OG-NE 3.22Å | ||
| 350 | T | 63.1 | Low | 73.2 | Confident | 89 Ų | 89 | 61.8 Ų | 61.8 | 55% | 0.546 | 32% | 0.321 | S | S | . | . | trans | -78 | 162.9 | 156.1 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | E352 T353 R354 | T350-E352 PolarHBondContact O-N 2.94Å; T350-T353 WeakPolarHBondContact CA-OG1 3.3Å; T350-T353 PolarHBondContact N-OG1 3.25Å; T350-T353 CarbonylContact O-C 3.28Å; T350-T353 PolarHBondContact O-N 3.01Å; T350-T353 VanDerWaalsContact O-N 3.08Å; T350-T353 PolarHBondContact O-OG1 3.3Å; T350-T353 VanDerWaalsContact OG1-CG2 3.28Å; T350-T353 WeakPolarHBondContact OG1-CG2 3.26Å; T350-T353 PolarHBondContact OG1-OG1 2.59Å; T350-T353 VanDerWaalsContact OG1-OG1 3.1Å; T350-R354 PolarHBondContact O-N 3.3Å | ||
| 351 | D | 57.7 | Low | 73.7 | Confident | 114 Ų | 114 | 57.8 Ų | 57.8 | 61% | 0.61 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -57.6 | -39.5 | -175.6 | -86.3 | -17.4 | 0 | 0 | 0 | 114.6 | R354 Q355 | D351-R354 WeakPolarHBondContact O-CB 3.45Å; D351-R354 PolarHBondContact O-N 2.82Å; D351-R354 IonicContact OD1-CZ 3.49Å; D351-R354 IonicContact OD1-NE 3.59Å; D351-R354 IonicContact OD1-NH1 2.63Å; D351-R354 PolarHBondContact OD1-NH1 3.17Å; D351-Q355 PolarHBondContact O-N 3.48Å |
| 352 | E | 60.1 | Low | 73.8 | Confident | 157 Ų | 157 | 58 Ų | 58 | 73% | 0.734 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.9 | -41.9 | 174.6 | -68.9 | -179.2 | 175 | 0 | 0 | 111.7 | T350 R354 Q355 Q356 | T350-E352 PolarHBondContact O-N 2.94Å; E352-R354 VanDerWaalsContact C-N 3.28Å; E352-R354 PolarHBondContact O-N 2.8Å; E352-Q355 PolarHBondContact O-N 3.01Å; E352-Q356 PolarHBondContact O-N 3.3Å |
| 353 | T | 68.1 | Low | 73.9 | Confident | 47 Ų | 47 | 61 Ų | 61 | 29% | 0.288 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.5 | -30.9 | 175 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | S349 T350 Q355 Q356 I357 | S349-T353 VanDerWaalsContact CA-OG1 3.29Å; S349-T353 WeakPolarHBondContact CA-OG1 3.45Å; T350-T353 WeakPolarHBondContact CA-OG1 3.3Å; T350-T353 PolarHBondContact N-OG1 3.25Å; T350-T353 CarbonylContact O-C 3.28Å; T350-T353 PolarHBondContact O-N 3.01Å; T350-T353 VanDerWaalsContact O-N 3.08Å; T350-T353 PolarHBondContact O-OG1 3.3Å; T350-T353 VanDerWaalsContact OG1-CG2 3.28Å; T350-T353 WeakPolarHBondContact OG1-CG2 3.26Å; T350-T353 PolarHBondContact OG1-OG1 2.59Å; T350-T353 VanDerWaalsContact OG1-OG1 3.1Å; T353-Q355 VanDerWaalsContact C-N 3.31Å; T353-Q355 PolarHBondContact O-N 3.45Å; T353-Q356 PolarHBondContact O-N 2.87Å; T353-I357 VanDerWaalsContact O-CB 3.26Å; T353-I357 WeakPolarHBondContact O-CB 3.47Å; T353-I357 WeakPolarHBondContact O-CD1 3.36Å; T353-I357 WeakPolarHBondContact O-CG1 3.16Å; T353-I357 PolarHBondContact O-N 3.46Å |
| 354 | R | 74.3 | Confident | 74.1 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 174.2 | -73.7 | 180 | -162 | 155.6 | 0.1 | 112.8 | S349 T350 D351 E352 G358 L402 | S349-R354 VanDerWaalsContact OG-CG 3.32Å; S349-R354 WeakPolarHBondContact OG-CG 3.17Å; S349-R354 PolarHBondContact OG-NE 3.22Å; T350-R354 PolarHBondContact O-N 3.3Å; D351-R354 WeakPolarHBondContact O-CB 3.45Å; D351-R354 PolarHBondContact O-N 2.82Å; D351-R354 IonicContact OD1-CZ 3.49Å; D351-R354 IonicContact OD1-NE 3.59Å; D351-R354 IonicContact OD1-NH1 2.63Å; D351-R354 PolarHBondContact OD1-NH1 3.17Å; E352-R354 VanDerWaalsContact C-N 3.28Å; E352-R354 PolarHBondContact O-N 2.8Å; R354-G358 WeakPolarHBondContact O-CA 3.25Å; R354-G358 PolarHBondContact O-N 2.77Å; R354-L402 HydrophobicContact CB-CD2 4.36Å |
| 355 | Q | 76.8 | Confident | 74.3 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 23% | 0.229 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67 | -45.7 | 175.8 | -70.7 | -176.4 | -15.3 | 0 | 0 | 111.3 | D351 E352 T353 G358 L359 L402 N407 S410 I413 | D351-Q355 PolarHBondContact O-N 3.48Å; E352-Q355 PolarHBondContact O-N 3.01Å; T353-Q355 VanDerWaalsContact C-N 3.31Å; T353-Q355 PolarHBondContact O-N 3.45Å; Q355-G358 PolarHBondContact O-N 3.43Å; Q355-L359 PolarHBondContact O-N 2.86Å; Q355-L402 HydrophobicContact CG-CD2 4.23Å; Q355-N407 PolarHBondContact NE2-ND2 3.21Å; Q355-S410 PolarHBondContact NE2-OG 3.37Å; Q355-I413 HydrophobicContact CB-CD1 3.78Å; Q355-I413 HydrophobicContact CG-CD1 4.1Å |
| 356 | Q | 76 | Confident | 74.5 | Confident | 122 Ų | 122 | 57.8 Ų | 57.8 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 177.3 | -66.7 | -175.4 | -6.3 | 0 | 0 | 111.8 | E352 T353 G358 L359 L360 | E352-Q356 PolarHBondContact O-N 3.3Å; T353-Q356 PolarHBondContact O-N 2.87Å; Q356-G358 VanDerWaalsContact C-N 3.34Å; Q356-L359 PolarHBondContact O-N 3.26Å; Q356-L360 WeakPolarHBondContact O-CB 3.5Å; Q356-L360 PolarHBondContact O-N 3.1Å |
| 357 | I | 79.9 | Confident | 74.7 | Confident | 19 Ų | 19 | 60 Ų | 60 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 174.3 | -67.8 | 166.4 | 0 | 0 | 0 | 109.9 | D345 T353 L359 L360 W361 L398 | D345-I357 HydrophobicContact CB-CG2 4.04Å; T353-I357 VanDerWaalsContact O-CB 3.26Å; T353-I357 WeakPolarHBondContact O-CB 3.47Å; T353-I357 WeakPolarHBondContact O-CD1 3.36Å; T353-I357 WeakPolarHBondContact O-CG1 3.16Å; T353-I357 PolarHBondContact O-N 3.46Å; I357-L359 PolarHBondContact O-N 3.49Å; I357-L360 WeakPolarHBondContact O-CB 3.4Å; I357-L360 PolarHBondContact O-N 3.15Å; I357-W361 WeakPolarHBondContact O-CB 3.15Å; I357-W361 VanDerWaalsContact O-CD1 3.27Å; I357-W361 PolarHBondContact O-N 2.95Å; I357-L398 HydrophobicContact CB-CD1 4.41Å; I357-L398 HydrophobicContact CG2-CD1 3.83Å; I357-L398 HydrophobicContact CG2-CD2 4.22Å |
| 358 | G | 81.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.5 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R354 Q355 Q356 A362 | R354-G358 WeakPolarHBondContact O-CA 3.25Å; R354-G358 PolarHBondContact O-N 2.77Å; Q355-G358 PolarHBondContact O-N 3.43Å; Q356-G358 VanDerWaalsContact C-N 3.34Å; G358-A362 WeakPolarHBondContact O-CB 3.3Å; G358-A362 PolarHBondContact O-N 2.9Å |
| 359 | L | 81.4 | Confident | 75.9 | Confident | 85 Ų | 85 | 52.8 Ų | 52.8 | 45% | 0.445 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.8 | -40.5 | 177.3 | -175.1 | 64.1 | 0 | 0 | 0 | 112.3 | Q355 Q356 I357 A362 T363 | Q355-L359 PolarHBondContact O-N 2.86Å; Q356-L359 PolarHBondContact O-N 3.26Å; I357-L359 PolarHBondContact O-N 3.49Å; L359-A362 PolarHBondContact O-N 2.66Å; L359-T363 PolarHBondContact O-N 2.9Å; L359-T363 VanDerWaalsContact O-N 3.09Å; L359-T363 PolarHBondContact O-OG1 3.21Å |
| 360 | L | 80.5 | Confident | 76.5 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.6 | -51.8 | 173.9 | -179.8 | 69.9 | 0 | 0 | 0 | 110.3 | A317 R324 Q356 I357 A362 T363 L364 | A317-L360 HydrophobicContact CB-CD1 4.43Å; A317-L360 HydrophobicContact CB-CD2 4.15Å; R324-L360 HydrophobicContact CB-CD1 4.45Å; R324-L360 HydrophobicContact CG-CD1 3.75Å; Q356-L360 WeakPolarHBondContact O-CB 3.5Å; Q356-L360 PolarHBondContact O-N 3.1Å; I357-L360 WeakPolarHBondContact O-CB 3.4Å; I357-L360 PolarHBondContact O-N 3.15Å; L360-A362 PolarHBondContact O-N 3.47Å; L360-T363 PolarHBondContact O-N 3.36Å; L360-L364 WeakPolarHBondContact O-CB 3.23Å; L360-L364 PolarHBondContact O-N 2.89Å |
| 361 | W | 85.3 | Confident | 77 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.011 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.1 | -34.9 | 179.6 | -83.6 | 95.6 | 0 | 0 | 0 | 112.9 | M338 C341 L342 D345 I357 T363 L364 L365 L398 L417 | M338-W361 HydrophobicContact CE-CZ3 4.16Å; C341-W361 HydrophobicContact CB-CH2 4.41Å; C341-W361 HydrophobicContact CB-CZ2 4.18Å; L342-W361 HydrophobicContact CB-CH2 4.48Å; L342-W361 HydrophobicContact CB-CZ2 4.32Å; L342-W361 HydrophobicContact CD1-CH2 4.09Å; L342-W361 HydrophobicContact CD1-CZ3 4.01Å; L342-W361 HydrophobicContact CD2-CD2 3.45Å; L342-W361 VanDerWaalsContact CD2-CD2 3.45Å; L342-W361 HydrophobicContact CD2-CE3 3.65Å; L342-W361 HydrophobicContact CD2-CG 4.16Å; L342-W361 HydrophobicContact CD2-CH2 3.73Å; L342-W361 HydrophobicContact CD2-CZ2 3.5Å; L342-W361 HydrophobicContact CD2-CZ3 3.77Å; L342-W361 HydrophobicContact CG-CD2 4.26Å; L342-W361 HydrophobicContact CG-CE3 4.13Å; L342-W361 HydrophobicContact CG-CH2 3.39Å; L342-W361 HydrophobicContact CG-CZ2 3.48Å; L342-W361 VanDerWaalsContact CG-CZ2 3.48Å; L342-W361 HydrophobicContact CG-CZ3 3.7Å; D345-W361 PolarHBondContact OD2-NE1 2.84Å; I357-W361 WeakPolarHBondContact O-CB 3.15Å; I357-W361 VanDerWaalsContact O-CD1 3.27Å; I357-W361 PolarHBondContact O-N 2.95Å; W361-T363 VanDerWaalsContact C-N 3.27Å; W361-T363 PolarHBondContact O-N 3.44Å; W361-L364 HydrophobicContact CE3-CD1 4.41Å; W361-L364 HydrophobicContact CE3-CD2 4.01Å; W361-L364 HydrophobicContact CH2-CD1 4.32Å; W361-L364 HydrophobicContact CH2-CD2 4.36Å; W361-L364 HydrophobicContact CZ3-CD1 4.29Å; W361-L364 HydrophobicContact CZ3-CD2 3.71Å; W361-L364 PolarHBondContact O-N 2.86Å; W361-L365 HydrophobicContact CE3-CD1 4.35Å; W361-L365 HydrophobicContact CE3-CD2 4.32Å; W361-L365 HydrophobicContact CE3-CG 4.06Å; W361-L365 WeakPolarHBondContact O-CB 3.28Å; W361-L365 WeakPolarHBondContact O-CD1 3.3Å; W361-L365 WeakPolarHBondContact O-CG 3.41Å; W361-L365 PolarHBondContact O-N 3.21Å; W361-L398 HydrophobicContact CB-CD2 3.95Å; W361-L398 HydrophobicContact CG-CD2 4.13Å; W361-L417 HydrophobicContact CB-CD1 4Å |
| 362 | A | 83.1 | Confident | 77.8 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G358 L359 L360 K366 K416 L417 | G358-A362 WeakPolarHBondContact O-CB 3.3Å; G358-A362 PolarHBondContact O-N 2.9Å; L359-A362 PolarHBondContact O-N 2.66Å; L360-A362 PolarHBondContact O-N 3.47Å; A362-K366 WeakPolarHBondContact O-CB 3.41Å; A362-K366 PolarHBondContact O-N 2.95Å; A362-K416 HydrophobicContact CB-CB 4.46Å; A362-L417 HydrophobicContact CB-CB 4.18Å; A362-L417 HydrophobicContact CB-CD1 4.15Å |
| 363 | T | 80.6 | Confident | 78.5 | Confident | 62 Ų | 62 | 41.2 Ų | 41.2 | 38% | 0.38 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -72.7 | -49.6 | 176.6 | -48.8 | 0 | 0 | 0 | 0 | 110.8 | L359 L360 W361 L365 K366 D367 | L359-T363 PolarHBondContact O-N 2.9Å; L359-T363 VanDerWaalsContact O-N 3.09Å; L359-T363 PolarHBondContact O-OG1 3.21Å; L360-T363 PolarHBondContact O-N 3.36Å; W361-T363 VanDerWaalsContact C-N 3.27Å; W361-T363 PolarHBondContact O-N 3.44Å; T363-L365 PolarHBondContact O-N 3.41Å; T363-K366 WeakPolarHBondContact O-CB 3.12Å; T363-K366 PolarHBondContact O-N 3.03Å; T363-K366 VanDerWaalsContact O-N 3.16Å; T363-D367 PolarHBondContact O-N 3.24Å |
| 364 | L | 82 | Confident | 78.6 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.7 | -46.6 | 179.7 | -171.6 | 162.5 | 0 | 0 | 0 | 111.6 | I327 A331 L360 W361 K366 D367 T368 | I327-L364 HydrophobicContact CG2-CD1 3.72Å; A331-L364 HydrophobicContact CB-CD1 4.14Å; A331-L364 HydrophobicContact CB-CD2 3.79Å; A331-L364 HydrophobicContact CB-CG 4.05Å; L360-L364 WeakPolarHBondContact O-CB 3.23Å; L360-L364 PolarHBondContact O-N 2.89Å; W361-L364 HydrophobicContact CE3-CD1 4.41Å; W361-L364 HydrophobicContact CE3-CD2 4.01Å; W361-L364 HydrophobicContact CH2-CD1 4.32Å; W361-L364 HydrophobicContact CH2-CD2 4.36Å; W361-L364 HydrophobicContact CZ3-CD1 4.29Å; W361-L364 HydrophobicContact CZ3-CD2 3.71Å; W361-L364 PolarHBondContact O-N 2.86Å; L364-K366 VanDerWaalsContact C-N 3.33Å; L364-K366 PolarHBondContact O-N 3.37Å; L364-D367 PolarHBondContact O-N 2.99Å; L364-T368 HydrophobicContact CD2-CG2 4.1Å; L364-T368 WeakPolarHBondContact O-CB 3.43Å; L364-T368 WeakPolarHBondContact O-CG2 3.25Å; L364-T368 PolarHBondContact O-N 2.86Å; L364-T368 PolarHBondContact O-OG1 2.9Å |
| 365 | L | 84.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.5 | -34.3 | 179.5 | -72.3 | 167 | 0 | 0 | 0 | 112.5 | M338 W361 T363 S369 L417 A420 L421 R424 | M338-L365 HydrophobicContact CE-CD2 3.79Å; W361-L365 HydrophobicContact CE3-CD1 4.35Å; W361-L365 HydrophobicContact CE3-CD2 4.32Å; W361-L365 HydrophobicContact CE3-CG 4.06Å; W361-L365 WeakPolarHBondContact O-CB 3.28Å; W361-L365 WeakPolarHBondContact O-CD1 3.3Å; W361-L365 WeakPolarHBondContact O-CG 3.41Å; W361-L365 PolarHBondContact O-N 3.21Å; T363-L365 PolarHBondContact O-N 3.41Å; L365-S369 PolarHBondContact O-N 2.9Å; L365-L417 HydrophobicContact CD1-CD1 3.67Å; L365-A420 HydrophobicContact CB-CB 4.15Å; L365-L421 HydrophobicContact CD1-CD2 3.61Å; L365-L421 HydrophobicContact CD1-CG 4Å; L365-L421 HydrophobicContact CD2-CD2 4.29Å; L365-R424 WeakPolarHBondContact O-CD 3.41Å; L365-R424 WeakPolarHBondContact O-CG 3.47Å; L365-R424 PolarHBondContact O-NH1 3.31Å |
| 366 | K | 81.7 | Confident | 77.6 | Confident | 135 Ų | 135 | 39.5 Ų | 39.5 | 59% | 0.587 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -67.5 | -48.3 | 174.5 | -174.9 | -170.9 | 174.2 | -160.6 | 0 | 111 | A362 T363 L364 S369 | A362-K366 WeakPolarHBondContact O-CB 3.41Å; A362-K366 PolarHBondContact O-N 2.95Å; T363-K366 WeakPolarHBondContact O-CB 3.12Å; T363-K366 PolarHBondContact O-N 3.03Å; T363-K366 VanDerWaalsContact O-N 3.16Å; L364-K366 VanDerWaalsContact C-N 3.33Å; L364-K366 PolarHBondContact O-N 3.37Å; K366-S369 VanDerWaalsContact O-CB 3.22Å; K366-S369 WeakPolarHBondContact O-CB 3.15Å; K366-S369 PolarHBondContact O-N 3.37Å; K366-S369 PolarHBondContact O-OG 2.82Å |
| 367 | D | 78 | Confident | 77.1 | Confident | 71 Ų | 71 | 35.9 Ų | 35.9 | 38% | 0.38 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -77.5 | -25.2 | -173.1 | -66.2 | -11.1 | 0 | 0 | 0 | 113.3 | V328 T363 L364 S369 | V328-D367 HydrophobicContact CG1-CB 3.99Å; T363-D367 PolarHBondContact O-N 3.24Å; L364-D367 PolarHBondContact O-N 2.99Å; D367-S369 VanDerWaalsContact C-N 3.31Å |
| 368 | T | 79.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 4.6 | 173.1 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | A331 Q332 L364 C370 N371 R424 | A331-T368 HydrophobicContact CB-CG2 3.86Å; Q332-T368 HydrophobicContact CG-CG2 3.79Å; L364-T368 HydrophobicContact CD2-CG2 4.1Å; L364-T368 WeakPolarHBondContact O-CB 3.43Å; L364-T368 WeakPolarHBondContact O-CG2 3.25Å; L364-T368 PolarHBondContact O-N 2.86Å; L364-T368 PolarHBondContact O-OG1 2.9Å; T368-C370 PolarHBondContact O-N 3.26Å; T368-N371 WeakPolarHBondContact O-CB 3.23Å; T368-N371 PolarHBondContact O-N 3.46Å; T368-N371 VanDerWaalsContact O-N 3.13Å; T368-R424 PolarHBondContact O-NH1 3.43Å; T368-R424 PolarHBondContact OG1-NH1 3.44Å |
| 369 | S | 78.8 | Confident | 75.2 | Confident | 23 Ų | 23 | 43 Ų | 43 | 16% | 0.161 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.4 | -179.5 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | L365 K366 D367 N371 V372 R427 | L365-S369 PolarHBondContact O-N 2.9Å; K366-S369 VanDerWaalsContact O-CB 3.22Å; K366-S369 WeakPolarHBondContact O-CB 3.15Å; K366-S369 PolarHBondContact O-N 3.37Å; K366-S369 PolarHBondContact O-OG 2.82Å; D367-S369 VanDerWaalsContact C-N 3.31Å; S369-N371 PolarHBondContact O-N 3.17Å; S369-V372 VanDerWaalsContact O-CB 3.31Å; S369-V372 WeakPolarHBondContact O-CB 3.41Å; S369-V372 WeakPolarHBondContact O-CG2 3.45Å; S369-V372 PolarHBondContact O-N 2.86Å; S369-R427 WeakPolarHBondContact O-CD 3.42Å; S369-R427 PolarHBondContact O-NE 3.03Å; S369-R427 PolarHBondContact OG-NH1 3.11Å |
| 370 | C | 73.6 | Confident | 74.1 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 37% | 0.365 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -29 | 175 | 55.9 | 0 | 0 | 0 | 0 | 114 | T368 V372 D373 | T368-C370 PolarHBondContact O-N 3.26Å; C370-V372 PolarHBondContact O-N 3Å; C370-D373 PolarHBondContact O-N 3.49Å |
| 371 | N | 73 | Confident | 73.7 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.3 | -25.7 | -178.6 | -69.6 | 0.4 | 0 | 0 | 0 | 112.5 | Q332 T368 S369 D373 S374 F375 | Q332-N371 VanDerWaalsContact CA-ND2 3.28Å; Q332-N371 WeakPolarHBondContact CA-ND2 3.29Å; Q332-N371 PolarHBondContact O-ND2 2.84Å; T368-N371 WeakPolarHBondContact O-CB 3.23Å; T368-N371 PolarHBondContact O-N 3.46Å; T368-N371 VanDerWaalsContact O-N 3.13Å; S369-N371 PolarHBondContact O-N 3.17Å; N371-D373 PolarHBondContact O-N 3.42Å; N371-S374 PolarHBondContact O-N 3.33Å; N371-S374 PolarHBondContact O-OG 3.47Å; N371-F375 HydrophobicContact CB-CD2 4.4Å; N371-F375 HydrophobicContact CB-CE2 4.27Å; N371-F375 WeakPolarHBondContact O-CD2 3.26Å; N371-F375 PolarHBondContact O-N 3.49Å |
| 372 | V | 76.3 | Confident | 73.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.8 | -38.3 | -179.9 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | S369 C370 S374 F375 S376 F385 V389 A428 | S369-V372 VanDerWaalsContact O-CB 3.31Å; S369-V372 WeakPolarHBondContact O-CB 3.41Å; S369-V372 WeakPolarHBondContact O-CG2 3.45Å; S369-V372 PolarHBondContact O-N 2.86Å; C370-V372 PolarHBondContact O-N 3Å; V372-S374 VanDerWaalsContact C-N 3.32Å; V372-S374 PolarHBondContact O-N 2.95Å; V372-F375 PolarHBondContact O-N 2.87Å; V372-S376 PolarHBondContact O-N 3.36Å; V372-F385 HydrophobicContact CG1-CZ 4.19Å; V372-V389 HydrophobicContact CG1-CG2 4.02Å; V372-V389 HydrophobicContact CG2-CG2 4.49Å; V372-A428 HydrophobicContact CG1-CB 3.48Å; V372-A428 VanDerWaalsContact CG1-CB 3.48Å |
| 373 | D | 73.7 | Confident | 73.1 | Confident | 63 Ų | 63 | 53 Ų | 53 | 34% | 0.337 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.8 | -35.6 | 179.1 | -55.1 | -24.6 | 0 | 0 | 0 | 112 | C370 N371 S376 R427 | C370-D373 PolarHBondContact O-N 3.49Å; N371-D373 PolarHBondContact O-N 3.42Å; D373-S376 PolarHBondContact O-OG 2.85Å; D373-S376 VanDerWaalsContact O-OG 3.05Å; D373-R427 WeakPolarHBondContact OD1-CG 3.42Å; D373-R427 IonicContact OD1-NE 3.51Å; D373-R427 PolarHBondContact OD1-NE 3.49Å; D373-R427 IonicContact OD2-CZ 3.18Å; D373-R427 VanDerWaalsContact OD2-CZ 3.24Å; D373-R427 IonicContact OD2-NE 3.93Å; D373-R427 PolarHBondContact OD2-NE 2.93Å; D373-R427 IonicContact OD2-NH2 2.69Å; D373-R427 PolarHBondContact OD2-NH2 3.17Å |
| 374 | S | 71.2 | Confident | 72.7 | Confident | 67 Ų | 67 | 52 Ų | 52 | 47% | 0.469 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -75.8 | -25 | 178.2 | 67.5 | 0 | 0 | 0 | 0 | 113.7 | N371 V372 S377 | N371-S374 PolarHBondContact O-N 3.33Å; N371-S374 PolarHBondContact O-OG 3.47Å; V372-S374 VanDerWaalsContact C-N 3.32Å; V372-S374 PolarHBondContact O-N 2.95Å; S374-S377 PolarHBondContact O-OG 3.31Å |
| 375 | F | 68.1 | Low | 72.6 | Confident | 50 Ų | 50 | 52.4 Ų | 52.4 | 22% | 0.219 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -85 | -26.1 | 178.5 | -78.4 | -73.1 | 0 | 0 | 0 | 113.1 | P335 N371 V372 S377 N378 F385 F388 | P335-F375 HydrophobicContact CB-CE2 3.88Å; P335-F375 HydrophobicContact CB-CZ 3.93Å; P335-F375 HydrophobicContact CG-CE1 4.16Å; P335-F375 HydrophobicContact CG-CE2 3.43Å; P335-F375 VanDerWaalsContact CG-CE2 3.43Å; P335-F375 HydrophobicContact CG-CZ 3.12Å; N371-F375 HydrophobicContact CB-CD2 4.4Å; N371-F375 HydrophobicContact CB-CE2 4.27Å; N371-F375 WeakPolarHBondContact O-CD2 3.26Å; N371-F375 PolarHBondContact O-N 3.49Å; V372-F375 PolarHBondContact O-N 2.87Å; F375-S377 PolarHBondContact O-N 3.35Å; F375-N378 PolarHBondContact O-N 3.1Å; F375-F385 HydrophobicContact CB-CD2 4.08Å; F375-F385 HydrophobicContact CB-CE2 3.82Å; F375-F388 HydrophobicContact CB-CE1 4.37Å; F375-F388 HydrophobicContact CD2-CD1 4.38Å; F375-F388 AromaticContact CD2-CE1 3.52Å; F375-F388 HydrophobicContact CD2-CE1 3.52Å; F375-F388 AromaticContact CD2-CZ 3.77Å; F375-F388 HydrophobicContact CD2-CZ 3.77Å; F375-F388 HydrophobicContact CE2-CE1 4.18Å; F375-F388 AromaticContact CE2-CZ 3.94Å; F375-F388 HydrophobicContact CE2-CZ 3.94Å; F375-F388 HydrophobicContact CG-CD1 4.47Å; F375-F388 HydrophobicContact CG-CE1 4.02Å |
| 376 | S | 62 | Low | 72.5 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.4 | -23.7 | 176.5 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | V372 D373 A431 | V372-S376 PolarHBondContact O-N 3.36Å; D373-S376 PolarHBondContact O-OG 2.85Å; D373-S376 VanDerWaalsContact O-OG 3.05Å; S376-A431 WeakPolarHBondContact OG-CB 3.15Å; S376-A431 PolarHBondContact OG-O 2.75Å |
| 377 | S | 64.3 | Low | 72.4 | Confident | 47 Ų | 47 | 50 Ų | 50 | 33% | 0.329 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -26.1 | -178.9 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | S374 F375 R921 | S374-S377 PolarHBondContact O-OG 3.31Å; F375-S377 PolarHBondContact O-N 3.35Å; S377-R921 VanDerWaalsContact CB-NH1 3.29Å; S377-R921 PolarHBondContact O-NH1 3.24Å |
| 378 | N | 62.4 | Low | 72.4 | Confident | 131 Ų | 131 | 47.4 Ų | 47.4 | 70% | 0.701 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | 27.4 | -171.3 | -63.2 | 1.2 | 0 | 0 | 0 | 111.8 | F375 V380 | F375-N378 PolarHBondContact O-N 3.1Å; N378-V380 PolarHBondContact O-N 3.17Å |
| 379 | L | 59.7 | Low | 72.7 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | trans | -81.9 | 104.9 | -166.7 | -165 | 145.6 | 0 | 0 | 0 | 112.1 | V382 F385 L432 L437 | L379-V382 HydrophobicContact CD2-CG2 4.28Å; L379-F385 HydrophobicContact CD1-CB 3.44Å; L379-F385 VanDerWaalsContact CD1-CB 3.44Å; L379-F385 HydrophobicContact CD1-CD1 3.3Å; L379-F385 HydrophobicContact CD1-CD2 3.47Å; L379-F385 VanDerWaalsContact CD1-CD2 3.47Å; L379-F385 HydrophobicContact CD1-CE1 3.76Å; L379-F385 HydrophobicContact CD1-CE2 3.92Å; L379-F385 HydrophobicContact CD1-CG 3.1Å; L379-F385 HydrophobicContact CD1-CZ 4.04Å; L379-F385 HydrophobicContact CG-CB 3.96Å; L379-F385 HydrophobicContact CG-CD2 4.49Å; L379-F385 HydrophobicContact CG-CG 4.14Å; L379-L432 HydrophobicContact CD1-CD2 4.04Å; L379-L437 HydrophobicContact CD2-CD1 4.25Å; L379-L437 HydrophobicContact CD2-CD2 3.87Å | ||
| 380 | V | 58.9 | Low | 72.9 | Confident | 117 Ų | 117 | 46.4 Ų | 46.4 | 71% | 0.709 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -95.4 | -36.4 | 174.2 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | N378 | N378-V380 PolarHBondContact O-N 3.17Š|
| 381 | N | 72.6 | Confident | 73.4 | Confident | 65 Ų | 65 | 43.9 Ų | 43.9 | 35% | 0.348 | 24% | 0.24 | S | C | . | . | trans | -121.1 | 116.1 | -176 | -168.8 | -29 | 0 | 0 | 0 | 112.8 | E383 V384 F385 | N381-E383 PolarHBondContact OD1-N 3.26Å; N381-E383 VanDerWaalsContact OD1-N 3.15Å; N381-V384 HydrophobicContact CB-CB 4.22Å; N381-V384 HydrophobicContact CB-CG2 4.08Å; N381-F385 PolarHBondContact O-N 3.5Å; N381-F385 VanDerWaalsContact O-N 3.16Å | ||
| 382 | V | 77.6 | Confident | 73.8 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 13% | 0.127 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.5 | -41.3 | -175.2 | -169.7 | 0 | 0 | 0 | 0 | 113 | L379 F385 A386 L437 Q440 V441 | L379-V382 HydrophobicContact CD2-CG2 4.28Å; V382-F385 PolarHBondContact O-N 3.35Å; V382-A386 WeakPolarHBondContact O-CB 3.1Å; V382-A386 PolarHBondContact O-N 3.48Å; V382-L437 HydrophobicContact CB-CD2 4.49Å; V382-L437 HydrophobicContact CG1-CD2 4.45Å; V382-L437 HydrophobicContact CG2-CD2 3.31Å; V382-Q440 HydrophobicContact CG1-CB 3.78Å; V382-V441 HydrophobicContact CG1-CG2 3.48Å; V382-V441 VanDerWaalsContact CG1-CG2 3.48Å |
| 383 | E | 76.6 | Confident | 74 | Confident | 119 Ų | 119 | 47.8 Ų | 47.8 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.9 | -40.3 | -179.2 | -72.7 | -171.7 | -173.3 | 0 | 0 | 111.4 | N381 A386 K387 I444 | N381-E383 PolarHBondContact OD1-N 3.26Å; N381-E383 VanDerWaalsContact OD1-N 3.15Å; E383-A386 PolarHBondContact O-N 2.96Å; E383-K387 WeakPolarHBondContact O-CB 2.81Å; E383-K387 WeakPolarHBondContact O-CG 3.45Å; E383-K387 PolarHBondContact O-N 2.89Å; E383-I444 HydrophobicContact CG-CD1 4.25Å |
| 384 | V | 72.1 | Confident | 74.5 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 26% | 0.261 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68 | -40.8 | -179.9 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | L295 N381 F388 | L295-V384 HydrophobicContact CB-CG1 3.87Å; L295-V384 HydrophobicContact CD1-CG1 4.31Å; L295-V384 HydrophobicContact CD2-CG1 4.48Å; L295-V384 HydrophobicContact CG-CG1 4.46Å; N381-V384 HydrophobicContact CB-CB 4.22Å; N381-V384 HydrophobicContact CB-CG2 4.08Å; V384-F388 WeakPolarHBondContact O-CB 3.19Å; V384-F388 PolarHBondContact O-N 3.42Å |
| 385 | F | 80.8 | Confident | 75.1 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 4% | 0.044 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -46 | 173.2 | 178.9 | -105.2 | 0 | 0 | 0 | 112.4 | V372 F375 L379 N381 V382 K387 F388 V389 A428 L432 V441 | V372-F385 HydrophobicContact CG1-CZ 4.19Å; F375-F385 HydrophobicContact CB-CD2 4.08Å; F375-F385 HydrophobicContact CB-CE2 3.82Å; L379-F385 HydrophobicContact CD1-CB 3.44Å; L379-F385 VanDerWaalsContact CD1-CB 3.44Å; L379-F385 HydrophobicContact CD1-CD1 3.3Å; L379-F385 HydrophobicContact CD1-CD2 3.47Å; L379-F385 VanDerWaalsContact CD1-CD2 3.47Å; L379-F385 HydrophobicContact CD1-CE1 3.76Å; L379-F385 HydrophobicContact CD1-CE2 3.92Å; L379-F385 HydrophobicContact CD1-CG 3.1Å; L379-F385 HydrophobicContact CD1-CZ 4.04Å; L379-F385 HydrophobicContact CG-CB 3.96Å; L379-F385 HydrophobicContact CG-CD2 4.49Å; L379-F385 HydrophobicContact CG-CG 4.14Å; N381-F385 PolarHBondContact O-N 3.5Å; N381-F385 VanDerWaalsContact O-N 3.16Å; V382-F385 PolarHBondContact O-N 3.35Å; F385-K387 VanDerWaalsContact C-N 3.32Å; F385-K387 PolarHBondContact O-N 3.49Å; F385-F388 WeakPolarHBondContact O-CB 3.38Å; F385-F388 PolarHBondContact O-N 3.19Å; F385-F388 VanDerWaalsContact O-N 3.08Å; F385-V389 HydrophobicContact CD1-CG2 4.08Å; F385-V389 HydrophobicContact CD2-CG2 4.17Å; F385-V389 HydrophobicContact CE1-CG2 3.75Å; F385-V389 HydrophobicContact CE2-CG2 3.84Å; F385-V389 HydrophobicContact CG-CG2 4.31Å; F385-V389 HydrophobicContact CZ-CG2 3.63Å; F385-V389 WeakPolarHBondContact O-CG2 3.46Å; F385-V389 PolarHBondContact O-N 3.17Å; F385-A428 HydrophobicContact CE1-CB 4.03Å; F385-A428 HydrophobicContact CZ-CB 4.03Å; F385-L432 HydrophobicContact CE1-CD1 4.2Å; F385-L432 HydrophobicContact CE1-CD2 4.15Å; F385-L432 HydrophobicContact CE1-CG 4.31Å; F385-V441 HydrophobicContact CD1-CG1 4.45Å; F385-V441 HydrophobicContact CD1-CG2 4.14Å; F385-V441 HydrophobicContact CE1-CG1 4.49Å |
| 386 | A | 82.1 | Confident | 75.9 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V382 E383 F388 V389 V390 V441 I444 F445 | V382-A386 WeakPolarHBondContact O-CB 3.1Å; V382-A386 PolarHBondContact O-N 3.48Å; E383-A386 PolarHBondContact O-N 2.96Å; A386-F388 VanDerWaalsContact C-N 3.33Å; A386-F388 PolarHBondContact O-N 2.89Å; A386-V389 PolarHBondContact O-N 3.36Å; A386-V390 PolarHBondContact O-N 3.15Å; A386-V441 HydrophobicContact CB-CG1 4.41Å; A386-I444 HydrophobicContact CB-CB 3.93Å; A386-I444 HydrophobicContact CB-CD1 3.59Å; A386-I444 HydrophobicContact CB-CG1 4.37Å; A386-I444 HydrophobicContact CB-CG2 3.68Å; A386-F445 HydrophobicContact CB-CE1 4.21Å |
| 387 | K | 79.1 | Confident | 76.7 | Confident | 84 Ų | 84 | 47.1 Ų | 47.1 | 37% | 0.365 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.4 | -29.6 | 174 | -74 | 175.4 | 178.6 | 167.5 | 0 | 113.3 | E383 F385 V390 P391 D392 | E383-K387 WeakPolarHBondContact O-CB 2.81Å; E383-K387 WeakPolarHBondContact O-CG 3.45Å; E383-K387 PolarHBondContact O-N 2.89Å; F385-K387 VanDerWaalsContact C-N 3.32Å; F385-K387 PolarHBondContact O-N 3.49Å; K387-V390 CarbonylContact O-C 3.49Å; K387-P391 WeakPolarHBondContact O-CA 3.46Å; K387-P391 WeakPolarHBondContact O-CG 3.28Å; K387-P391 VanDerWaalsContact O-N 3.16Å; K387-D392 WeakPolarHBondContact CE-OD2 3.38Å |
| 388 | F | 79.4 | Confident | 77.6 | Confident | 16 Ų | 16 | 45 Ų | 45 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.2 | -42.2 | 173.3 | 169.6 | -104 | 0 | 0 | 0 | 112.2 | P335 M338 F375 V384 F385 A386 | P335-F388 HydrophobicContact CB-CD2 4.29Å; P335-F388 HydrophobicContact CB-CE2 3.27Å; P335-F388 HydrophobicContact CB-CZ 3.6Å; M338-F388 HydrophobicContact SD-CD2 4.17Å; M338-F388 HydrophobicContact SD-CE2 3.43Å; M338-F388 WeakPolarHBondContact SD-CE2 3.23Å; M338-F388 HydrophobicContact SD-CZ 4.13Å; F375-F388 HydrophobicContact CB-CE1 4.37Å; F375-F388 HydrophobicContact CD2-CD1 4.38Å; F375-F388 AromaticContact CD2-CE1 3.52Å; F375-F388 HydrophobicContact CD2-CE1 3.52Å; F375-F388 AromaticContact CD2-CZ 3.77Å; F375-F388 HydrophobicContact CD2-CZ 3.77Å; F375-F388 HydrophobicContact CE2-CE1 4.18Å; F375-F388 AromaticContact CE2-CZ 3.94Å; F375-F388 HydrophobicContact CE2-CZ 3.94Å; F375-F388 HydrophobicContact CG-CD1 4.47Å; F375-F388 HydrophobicContact CG-CE1 4.02Å; V384-F388 WeakPolarHBondContact O-CB 3.19Å; V384-F388 PolarHBondContact O-N 3.42Å; F385-F388 WeakPolarHBondContact O-CB 3.38Å; F385-F388 PolarHBondContact O-N 3.19Å; F385-F388 VanDerWaalsContact O-N 3.08Å; A386-F388 VanDerWaalsContact C-N 3.33Å; A386-F388 PolarHBondContact O-N 2.89Å |
| 389 | V | 83.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.9 | -48.1 | -179.5 | 177.1 | 0 | 0 | 0 | 0 | 111 | V372 F385 A386 R424 A428 F445 | V372-V389 HydrophobicContact CG1-CG2 4.02Å; V372-V389 HydrophobicContact CG2-CG2 4.49Å; F385-V389 HydrophobicContact CD1-CG2 4.08Å; F385-V389 HydrophobicContact CD2-CG2 4.17Å; F385-V389 HydrophobicContact CE1-CG2 3.75Å; F385-V389 HydrophobicContact CE2-CG2 3.84Å; F385-V389 HydrophobicContact CG-CG2 4.31Å; F385-V389 HydrophobicContact CZ-CG2 3.63Å; F385-V389 WeakPolarHBondContact O-CG2 3.46Å; F385-V389 PolarHBondContact O-N 3.17Å; A386-V389 PolarHBondContact O-N 3.36Å; V389-R424 HydrophobicContact CG1-CB 4.07Å; V389-R424 WeakPolarHBondContact CG1-O 3.4Å; V389-R424 PolarHBondContact O-NE 2.99Å; V389-A428 HydrophobicContact CB-CB 4.27Å; V389-A428 HydrophobicContact CG1-CB 3.57Å; V389-A428 HydrophobicContact CG2-CB 3.78Å; V389-F445 HydrophobicContact CB-CE1 4.13Å; V389-F445 HydrophobicContact CB-CZ 3.86Å; V389-F445 HydrophobicContact CG1-CE1 4.15Å; V389-F445 HydrophobicContact CG1-CE2 4.47Å; V389-F445 HydrophobicContact CG1-CZ 3.62Å |
| 390 | V | 84.3 | Confident | 80 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -123.9 | 94.1 | 174.6 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | A386 K387 D392 V395 L421 A425 F445 V448 L449 | A386-V390 PolarHBondContact O-N 3.15Å; K387-V390 CarbonylContact O-C 3.49Å; V390-D392 PolarHBondContact O-N 3.33Å; V390-V395 HydrophobicContact CG1-CG2 3.82Å; V390-L421 HydrophobicContact CG1-CD2 4.32Å; V390-A425 HydrophobicContact CG2-CB 4.03Å; V390-F445 HydrophobicContact CB-CD1 4.15Å; V390-F445 HydrophobicContact CB-CE1 4.09Å; V390-F445 HydrophobicContact CG2-CD1 3.73Å; V390-F445 HydrophobicContact CG2-CE1 3.64Å; V390-F445 HydrophobicContact CG2-CZ 4.33Å; V390-V448 HydrophobicContact CG1-CB 4.48Å; V390-V448 HydrophobicContact CG1-CG1 3.7Å; V390-L449 HydrophobicContact CG1-CD2 4.03Å; V390-L449 HydrophobicContact CG1-CG 4.39Å |
| 391 | P | 83.5 | Confident | 81.2 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | trans | -64.7 | 119.8 | 175.9 | -22 | 33.4 | 0 | 0 | 0 | 111.4 | L342 K387 L393 A394 V395 | L342-P391 HydrophobicContact CD1-CB 3.47Å; L342-P391 VanDerWaalsContact CD1-CB 3.47Å; L342-P391 HydrophobicContact CD1-CG 3.71Å; K387-P391 WeakPolarHBondContact O-CA 3.46Å; K387-P391 WeakPolarHBondContact O-CG 3.28Å; K387-P391 VanDerWaalsContact O-N 3.16Å; P391-L393 PolarHBondContact O-N 2.83Å; P391-L393 VanDerWaalsContact O-N 3.15Å; P391-A394 HydrophobicContact CB-CB 3.97Å; P391-A394 HydrophobicContact CG-CB 4.45Å; P391-A394 WeakPolarHBondContact O-CB 3.45Å; P391-A394 PolarHBondContact O-N 3.01Å; P391-V395 PolarHBondContact O-N 3.34Å | ||
| 392 | D | 81 | Confident | 81.7 | Confident | 41 Ų | 41 | 32.6 Ų | 32.6 | 22% | 0.219 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -52.1 | -38.6 | 176.7 | -66.7 | -18.1 | 0 | 0 | 0 | 111.7 | K387 V390 V395 K396 V448 | K387-D392 WeakPolarHBondContact CE-OD2 3.38Å; V390-D392 PolarHBondContact O-N 3.33Å; D392-V395 PolarHBondContact O-N 2.82Å; D392-K396 WeakPolarHBondContact O-CB 3.5Å; D392-K396 WeakPolarHBondContact O-CG 3.26Å; D392-K396 PolarHBondContact O-N 2.81Å; D392-V448 WeakPolarHBondContact OD1-CG2 3.26Å |
| 393 | L | 80.9 | Confident | 82 | Confident | 64 Ų | 64 | 32.5 Ų | 32.5 | 34% | 0.335 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.3 | -50 | 177.6 | -155 | 73.7 | 0 | 0 | 0 | 110.3 | L342 E343 C346 P391 V395 K396 S397 | L342-L393 HydrophobicContact CB-CD2 4.05Å; E343-L393 HydrophobicContact CB-CD2 4.27Å; E343-L393 HydrophobicContact CG-CD2 3.68Å; C346-L393 HydrophobicContact CB-CD2 4.43Å; P391-L393 PolarHBondContact O-N 2.83Å; P391-L393 VanDerWaalsContact O-N 3.15Å; L393-V395 PolarHBondContact O-N 3.17Å; L393-K396 PolarHBondContact O-N 3.4Å; L393-S397 PolarHBondContact O-N 2.85Å; L393-S397 PolarHBondContact O-OG 2.83Å |
| 394 | A | 83.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -58.4 | -34.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L342 P391 L398 A399 | L342-A394 HydrophobicContact CD1-CB 4.17Å; L342-A394 HydrophobicContact CD2-CB 4.01Å; P391-A394 HydrophobicContact CB-CB 3.97Å; P391-A394 HydrophobicContact CG-CB 4.45Å; P391-A394 WeakPolarHBondContact O-CB 3.45Å; P391-A394 PolarHBondContact O-N 3.01Å; A394-L398 WeakPolarHBondContact O-CB 3.18Å; A394-A399 WeakPolarHBondContact O-CB 3.3Å; A394-A399 PolarHBondContact O-N 3.39Å |
| 395 | V | 85.3 | Confident | 82.6 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.036 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -75.5 | -52.1 | 174.7 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | V390 P391 D392 L393 A399 M400 L421 V448 | V390-V395 HydrophobicContact CG1-CG2 3.82Å; P391-V395 PolarHBondContact O-N 3.34Å; D392-V395 PolarHBondContact O-N 2.82Å; L393-V395 PolarHBondContact O-N 3.17Å; V395-A399 PolarHBondContact O-N 3.46Å; V395-M400 VanDerWaalsContact O-CB 3.3Å; V395-M400 WeakPolarHBondContact O-CB 3.22Å; V395-M400 PolarHBondContact O-N 3.38Å; V395-L421 HydrophobicContact CG2-CD1 3.59Å; V395-V448 HydrophobicContact CB-CG1 4.1Å; V395-V448 WeakPolarHBondContact CG1-O 3.34Å; V395-V448 HydrophobicContact CG2-CG1 3.86Å |
| 396 | K | 84 | Confident | 82.2 | Confident | 145 Ų | 145 | 45.5 Ų | 45.5 | 63% | 0.63 | 21% | 0.212 | S | C | * | . | I | π-helix | trans | -75.2 | -40.6 | -170.3 | -69.9 | 175.7 | -179.3 | 170 | 0 | 113.6 | D392 L393 P401 | D392-K396 WeakPolarHBondContact O-CB 3.5Å; D392-K396 WeakPolarHBondContact O-CG 3.26Å; D392-K396 PolarHBondContact O-N 2.81Å; L393-K396 PolarHBondContact O-N 3.4Å; K396-P401 VanDerWaalsContact O-CD 3.28Å; K396-P401 WeakPolarHBondContact O-CD 3.47Å; K396-P401 WeakPolarHBondContact O-CG 3.32Å |
| 397 | S | 80 | Confident | 82.2 | Confident | 40 Ų | 40 | 49 Ų | 49 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -96.1 | -20.4 | -175.6 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | C346 L393 | C346-S397 PolarHBondContact SG-OG 3.29Å; L393-S397 PolarHBondContact O-N 2.85Å; L393-S397 PolarHBondContact O-OG 2.83Å |
| 398 | L | 82.6 | Confident | 82.3 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -117.5 | -62.2 | -176.3 | -163.1 | 74 | 0 | 0 | 0 | 112.4 | I357 W361 A394 L402 L417 | I357-L398 HydrophobicContact CB-CD1 4.41Å; I357-L398 HydrophobicContact CG2-CD1 3.83Å; I357-L398 HydrophobicContact CG2-CD2 4.22Å; W361-L398 HydrophobicContact CB-CD2 3.95Å; W361-L398 HydrophobicContact CG-CD2 4.13Å; A394-L398 WeakPolarHBondContact O-CB 3.18Å; L398-L402 HydrophobicContact CD1-CD1 4.48Å; L398-L402 HydrophobicContact CG-CD1 4.29Å; L398-L402 WeakPolarHBondContact O-CB 3.39Å; L398-L402 WeakPolarHBondContact O-CD1 3.26Å; L398-L402 VanDerWaalsContact O-CG 3.22Å; L398-L402 WeakPolarHBondContact O-CG 3.49Å; L398-L402 PolarHBondContact O-N 2.85Å; L398-L417 HydrophobicContact CB-CD2 4.2Å; L398-L417 HydrophobicContact CD2-CD2 3.64Å; L398-L417 HydrophobicContact CG-CD2 3.81Å |
| 399 | A | 85.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -68.2 | -49.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A394 V395 L402 W403 L417 L418 | A394-A399 WeakPolarHBondContact O-CB 3.3Å; A394-A399 PolarHBondContact O-N 3.39Å; V395-A399 PolarHBondContact O-N 3.46Å; A399-L402 PolarHBondContact O-N 3.26Å; A399-W403 WeakPolarHBondContact O-CB 3.27Å; A399-W403 PolarHBondContact O-N 3.42Å; A399-L417 HydrophobicContact CB-CD2 3.59Å; A399-L417 HydrophobicContact CB-CG 3.97Å; A399-L418 HydrophobicContact CB-CD2 3.78Å; A399-L418 HydrophobicContact CB-CG 4.02Å |
| 400 | M | 87 | Confident | 82.3 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 15% | 0.148 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.2 | -41.7 | -176.5 | -151.2 | 70.3 | -173.3 | 0 | 0 | 113.1 | V395 W403 K404 E454 | V395-M400 VanDerWaalsContact O-CB 3.3Å; V395-M400 WeakPolarHBondContact O-CB 3.22Å; V395-M400 PolarHBondContact O-N 3.38Å; M400-W403 HydrophobicContact CE-CE3 3.52Å; M400-W403 HydrophobicContact CE-CZ3 3.55Å; M400-W403 PolarHBondContact O-N 2.94Å; M400-W403 HydrophobicContact SD-CE3 3.73Å; M400-W403 HydrophobicContact SD-CZ3 4.2Å; M400-K404 HydrophobicContact CE-CD 4.24Å; M400-K404 VanDerWaalsContact CE-CE 3.41Å; M400-K404 HydrophobicContact CE-CG 4.34Å; M400-K404 HydrophobicContact CG-CD 4.11Å; M400-K404 HydrophobicContact CG-CG 4.45Å; M400-K404 VanDerWaalsContact O-CB 3.32Å; M400-K404 WeakPolarHBondContact O-CB 3.2Å; M400-K404 WeakPolarHBondContact O-CG 3.3Å; M400-K404 PolarHBondContact O-N 3.33Å; M400-E454 WeakPolarHBondContact CE-OE2 3.23Å |
| 401 | P | 83.5 | Confident | 82.3 | Confident | 51 Ų | 51 | 52.3 Ų | 52.3 | 33% | 0.331 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 173.5 | -26.3 | 37.9 | 0 | 0 | 0 | 113.1 | K396 S405 | K396-P401 VanDerWaalsContact O-CD 3.28Å; K396-P401 WeakPolarHBondContact O-CD 3.47Å; K396-P401 WeakPolarHBondContact O-CG 3.32Å; P401-S405 PolarHBondContact O-N 2.99Å; P401-S405 VanDerWaalsContact O-N 3.14Å |
| 402 | L | 83.3 | Confident | 82.5 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 175 | -72.6 | 172.8 | 0 | 0 | 0 | 111.4 | R354 Q355 L398 A399 S405 S410 T411 I413 | R354-L402 HydrophobicContact CB-CD2 4.36Å; Q355-L402 HydrophobicContact CG-CD2 4.23Å; L398-L402 HydrophobicContact CD1-CD1 4.48Å; L398-L402 HydrophobicContact CG-CD1 4.29Å; L398-L402 WeakPolarHBondContact O-CB 3.39Å; L398-L402 WeakPolarHBondContact O-CD1 3.26Å; L398-L402 VanDerWaalsContact O-CG 3.22Å; L398-L402 WeakPolarHBondContact O-CG 3.49Å; L398-L402 PolarHBondContact O-N 2.85Å; A399-L402 PolarHBondContact O-N 3.26Å; L402-S405 WeakPolarHBondContact O-CB 3.26Å; L402-S405 PolarHBondContact O-N 3.15Å; L402-S405 PolarHBondContact O-OG 3.2Å; L402-S410 CarbonylContact C-O 3.14Å; L402-S410 CarbonylContact O-C 3.37Å; L402-S410 VanDerWaalsContact O-C 3.26Å; L402-T411 PolarHBondContact O-N 2.8Å; L402-I413 HydrophobicContact CD1-CG2 4.1Å |
| 403 | W | 84.9 | Confident | 82.7 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 8% | 0.076 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.5 | -37 | -178 | -166.6 | 52.2 | 0 | 0 | 0 | 113.4 | A399 M400 S405 L418 P450 E454 V455 C458 | A399-W403 WeakPolarHBondContact O-CB 3.27Å; A399-W403 PolarHBondContact O-N 3.42Å; M400-W403 HydrophobicContact CE-CE3 3.52Å; M400-W403 HydrophobicContact CE-CZ3 3.55Å; M400-W403 PolarHBondContact O-N 2.94Å; M400-W403 HydrophobicContact SD-CE3 3.73Å; M400-W403 HydrophobicContact SD-CZ3 4.2Å; W403-S405 VanDerWaalsContact C-N 3.32Å; W403-L418 HydrophobicContact CB-CD1 4.06Å; W403-L418 HydrophobicContact CD2-CD1 3.58Å; W403-L418 HydrophobicContact CE3-CD1 3.89Å; W403-L418 HydrophobicContact CG-CD1 3.66Å; W403-P450 HydrophobicContact CH2-CB 4.1Å; W403-P450 HydrophobicContact CZ3-CB 3.71Å; W403-P450 HydrophobicContact CZ3-CG 4.34Å; W403-E454 HydrophobicContact CH2-CB 3.82Å; W403-E454 HydrophobicContact CZ3-CB 4.14Å; W403-V455 HydrophobicContact CH2-CG2 3.99Å; W403-V455 HydrophobicContact CZ2-CG2 4.22Å; W403-C458 HydrophobicContact CH2-CB 4.35Å; W403-C458 HydrophobicContact CZ2-CB 3.54Å; W403-C458 PolarHBondContact NE1-SG 2.65Å; W403-C458 VanDerWaalsContact NE1-SG 3.4Å |
| 404 | K | 80.9 | Confident | 83 | Confident | 148 Ų | 148 | 48.7 Ų | 48.7 | 64% | 0.643 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -81.7 | -5.9 | 175.5 | -74.3 | -178.4 | 168.1 | 168.2 | 0 | 114.2 | M400 | M400-K404 HydrophobicContact CE-CD 4.24Å; M400-K404 VanDerWaalsContact CE-CE 3.41Å; M400-K404 HydrophobicContact CE-CG 4.34Å; M400-K404 HydrophobicContact CG-CD 4.11Å; M400-K404 HydrophobicContact CG-CG 4.45Å; M400-K404 VanDerWaalsContact O-CB 3.32Å; M400-K404 WeakPolarHBondContact O-CB 3.2Å; M400-K404 WeakPolarHBondContact O-CG 3.3Å; M400-K404 PolarHBondContact O-N 3.33Å |
| 405 | S | 79.6 | Confident | 83.3 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -65.4 | 155.8 | 178.6 | 75.5 | 0 | 0 | 0 | 0 | 111.5 | P401 L402 W403 N407 S410 | P401-S405 PolarHBondContact O-N 2.99Å; P401-S405 VanDerWaalsContact O-N 3.14Å; L402-S405 WeakPolarHBondContact O-CB 3.26Å; L402-S405 PolarHBondContact O-N 3.15Å; L402-S405 PolarHBondContact O-OG 3.2Å; W403-S405 VanDerWaalsContact C-N 3.32Å; S405-N407 PolarHBondContact O-N 2.93Å; S405-N407 PolarHBondContact OG-O 3.29Å; S405-S410 WeakPolarHBondContact OG-CB 3.28Å |
| 406 | R | 72.7 | Confident | 83.4 | Confident | 259 Ų | 259 | 52.1 Ų | 52.1 | 98% | 0.977 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -79.2 | -7.7 | 174.8 | -65.9 | -175.7 | 179.9 | -176.4 | 0.6 | 113.2 | ||
| 407 | N | 81.1 | Confident | 83.6 | Confident | 75 Ų | 75 | 45.2 Ų | 45.2 | 40% | 0.401 | 22% | 0.221 | S | C | . | . | trans | -87.2 | 126.5 | -178.9 | -175.1 | -7.2 | 0 | 0 | 0 | 109.9 | Q355 S405 D409 S410 T411 | Q355-N407 PolarHBondContact NE2-ND2 3.21Å; S405-N407 PolarHBondContact O-N 2.93Å; S405-N407 PolarHBondContact OG-O 3.29Å; N407-D409 VanDerWaalsContact C-N 3.33Å; N407-D409 PolarHBondContact O-N 3.4Å; N407-D409 PolarHBondContact OD1-N 3.35Å; N407-S410 WeakPolarHBondContact O-CB 3.36Å; N407-S410 PolarHBondContact O-N 2.83Å; N407-T411 PolarHBondContact O-N 3.02Å; N407-T411 PolarHBondContact O-OG1 2.84Å; N407-T411 VanDerWaalsContact O-OG1 3.09Å | ||
| 408 | V | 81.5 | Confident | 84.1 | Confident | 47 Ų | 47 | 43.3 Ų | 43.3 | 29% | 0.285 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.2 | -40.7 | -177.9 | -180 | 0 | 0 | 0 | 0 | 112.1 | T411 I412 P471 L474 | V408-T411 PolarHBondContact O-N 3.5Å; V408-I412 HydrophobicContact CG1-CD1 4.01Å; V408-I412 HydrophobicContact CG1-CG1 4.47Å; V408-I412 WeakPolarHBondContact O-CG1 3.35Å; V408-I412 PolarHBondContact O-N 2.93Å; V408-P471 HydrophobicContact CG1-CG 3.42Å; V408-P471 VanDerWaalsContact CG1-CG 3.42Å; V408-L474 HydrophobicContact CG1-CB 4.01Å; V408-L474 HydrophobicContact CG1-CD1 4.23Å; V408-L474 HydrophobicContact CG1-CD2 3.88Å; V408-L474 HydrophobicContact CG1-CG 4.23Å |
| 409 | D | 81.3 | Confident | 84.5 | Confident | 94 Ų | 94 | 46.7 Ų | 46.7 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.1 | -41.2 | 179.8 | -65 | -35.2 | 0 | 0 | 0 | 111.4 | N407 T411 I412 I413 | N407-D409 VanDerWaalsContact C-N 3.33Å; N407-D409 PolarHBondContact O-N 3.4Å; N407-D409 PolarHBondContact OD1-N 3.35Å; D409-T411 VanDerWaalsContact C-N 3.34Å; D409-T411 PolarHBondContact O-N 2.96Å; D409-I412 WeakPolarHBondContact O-CB 3.4Å; D409-I412 PolarHBondContact O-N 3.29Å; D409-I413 VanDerWaalsContact O-CG1 3.29Å; D409-I413 WeakPolarHBondContact O-CG1 3.43Å; D409-I413 PolarHBondContact O-N 3.4Å |
| 410 | S | 82.9 | Confident | 84.7 | Confident | 12 Ų | 12 | 47 Ų | 47 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | 173.4 | -68 | 0 | 0 | 0 | 0 | 111.6 | Q355 L402 S405 N407 I413 G414 | Q355-S410 PolarHBondContact NE2-OG 3.37Å; L402-S410 CarbonylContact C-O 3.14Å; L402-S410 CarbonylContact O-C 3.37Å; L402-S410 VanDerWaalsContact O-C 3.26Å; S405-S410 WeakPolarHBondContact OG-CB 3.28Å; N407-S410 WeakPolarHBondContact O-CB 3.36Å; N407-S410 PolarHBondContact O-N 2.83Å; S410-I413 PolarHBondContact O-N 2.86Å; S410-G414 PolarHBondContact O-N 3.35Å |
| 411 | T | 84.3 | Confident | 84.8 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 10% | 0.104 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -37.5 | 173.9 | -47.7 | 0 | 0 | 0 | 0 | 112.1 | L402 N407 V408 D409 S415 L474 | L402-T411 PolarHBondContact O-N 2.8Å; N407-T411 PolarHBondContact O-N 3.02Å; N407-T411 PolarHBondContact O-OG1 2.84Å; N407-T411 VanDerWaalsContact O-OG1 3.09Å; V408-T411 PolarHBondContact O-N 3.5Å; D409-T411 VanDerWaalsContact C-N 3.34Å; D409-T411 PolarHBondContact O-N 2.96Å; T411-S415 VanDerWaalsContact O-CB 3.29Å; T411-S415 WeakPolarHBondContact O-CB 3.48Å; T411-S415 PolarHBondContact O-N 2.96Å; T411-S415 PolarHBondContact O-OG 2.6Å; T411-L474 HydrophobicContact CG2-CD1 3.79Å |
| 412 | I | 86 | Confident | 85.1 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.1 | -50.2 | 174.7 | -71.1 | 165.4 | 0 | 0 | 0 | 110.3 | V408 D409 S415 K416 E473 L474 | V408-I412 HydrophobicContact CG1-CD1 4.01Å; V408-I412 HydrophobicContact CG1-CG1 4.47Å; V408-I412 WeakPolarHBondContact O-CG1 3.35Å; V408-I412 PolarHBondContact O-N 2.93Å; D409-I412 WeakPolarHBondContact O-CB 3.4Å; D409-I412 PolarHBondContact O-N 3.29Å; I412-S415 WeakPolarHBondContact O-CB 3.22Å; I412-S415 PolarHBondContact O-N 3.42Å; I412-K416 HydrophobicContact CG2-CD 4.24Å; I412-K416 WeakPolarHBondContact O-CG 3.43Å; I412-K416 PolarHBondContact O-N 2.84Å; I412-E473 HydrophobicContact CD1-CB 4.21Å; I412-E473 HydrophobicContact CD1-CG 4.26Å; I412-E473 HydrophobicContact CG2-CG 4.22Å; I412-L474 HydrophobicContact CD1-CB 4.28Å; I412-L474 HydrophobicContact CG1-CB 4.12Å; I412-L474 HydrophobicContact CG1-CD1 3.96Å |
| 413 | I | 85.4 | Confident | 85.3 | Confident | 23 Ų | 23 | 46.3 Ų | 46.3 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 179.3 | -64.8 | 166.9 | 0 | 0 | 0 | 110.1 | Q355 L402 D409 S410 S415 K416 L417 | Q355-I413 HydrophobicContact CB-CD1 3.78Å; Q355-I413 HydrophobicContact CG-CD1 4.1Å; L402-I413 HydrophobicContact CD1-CG2 4.1Å; D409-I413 VanDerWaalsContact O-CG1 3.29Å; D409-I413 WeakPolarHBondContact O-CG1 3.43Å; D409-I413 PolarHBondContact O-N 3.4Å; S410-I413 PolarHBondContact O-N 2.86Å; I413-S415 VanDerWaalsContact C-N 3.29Å; I413-S415 PolarHBondContact O-N 3.39Å; I413-K416 PolarHBondContact O-N 3.21Å; I413-K416 VanDerWaalsContact O-N 3.17Å; I413-L417 WeakPolarHBondContact O-CB 3.39Å; I413-L417 PolarHBondContact O-N 3.41Å |
| 414 | G | 87.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.8 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S410 L417 L418 | S410-G414 PolarHBondContact O-N 3.35Å; G414-L417 PolarHBondContact O-N 3.48Å; G414-L418 WeakPolarHBondContact O-CB 3.45Å; G414-L418 VanDerWaalsContact O-CG 3.27Å; G414-L418 WeakPolarHBondContact O-CG 3.38Å; G414-L418 PolarHBondContact O-N 3.31Å |
| 415 | S | 89.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.2 | -39.3 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | T411 I412 I413 R419 | T411-S415 VanDerWaalsContact O-CB 3.29Å; T411-S415 WeakPolarHBondContact O-CB 3.48Å; T411-S415 PolarHBondContact O-N 2.96Å; T411-S415 PolarHBondContact O-OG 2.6Å; I412-S415 WeakPolarHBondContact O-CB 3.22Å; I412-S415 PolarHBondContact O-N 3.42Å; I413-S415 VanDerWaalsContact C-N 3.29Å; I413-S415 PolarHBondContact O-N 3.39Å; S415-R419 VanDerWaalsContact O-CB 3.26Å; S415-R419 WeakPolarHBondContact O-CB 2.96Å; S415-R419 PolarHBondContact O-N 3.46Å |
| 416 | K | 88.9 | Confident | 86.2 | Confident | 77 Ų | 77 | 38 Ų | 38 | 34% | 0.335 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.1 | -42.9 | 175.1 | -73.5 | 175.1 | -178.3 | 172.3 | 0 | 111.4 | A362 I412 I413 R419 A420 E473 | A362-K416 HydrophobicContact CB-CB 4.46Å; I412-K416 HydrophobicContact CG2-CD 4.24Å; I412-K416 WeakPolarHBondContact O-CG 3.43Å; I412-K416 PolarHBondContact O-N 2.84Å; I413-K416 PolarHBondContact O-N 3.21Å; I413-K416 VanDerWaalsContact O-N 3.17Å; K416-R419 PolarHBondContact O-N 2.9Å; K416-A420 PolarHBondContact O-N 3.45Å; K416-E473 WeakPolarHBondContact CE-OE1 3.48Å; K416-E473 IonicContact NZ-OE1 2.7Å; K416-E473 PolarHBondContact NZ-OE1 3.18Å |
| 417 | L | 87.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.4 | -48.8 | 177.7 | -178.5 | 62.2 | 0 | 0 | 0 | 111.8 | W361 A362 L365 L398 A399 I413 G414 R419 A420 L421 | W361-L417 HydrophobicContact CB-CD1 4Å; A362-L417 HydrophobicContact CB-CB 4.18Å; A362-L417 HydrophobicContact CB-CD1 4.15Å; L365-L417 HydrophobicContact CD1-CD1 3.67Å; L398-L417 HydrophobicContact CB-CD2 4.2Å; L398-L417 HydrophobicContact CD2-CD2 3.64Å; L398-L417 HydrophobicContact CG-CD2 3.81Å; A399-L417 HydrophobicContact CB-CD2 3.59Å; A399-L417 HydrophobicContact CB-CG 3.97Å; I413-L417 WeakPolarHBondContact O-CB 3.39Å; I413-L417 PolarHBondContact O-N 3.41Å; G414-L417 PolarHBondContact O-N 3.48Å; L417-R419 VanDerWaalsContact C-N 3.27Å; L417-R419 PolarHBondContact O-N 2.71Å; L417-A420 PolarHBondContact O-N 3.47Å; L417-A420 VanDerWaalsContact O-N 3.17Å; L417-L421 WeakPolarHBondContact O-CG 3.39Å; L417-L421 PolarHBondContact O-N 3.29Å |
| 418 | L | 91 | Very high | 87 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.6 | -39.9 | 174.2 | -74 | 171.5 | 0 | 0 | 0 | 111.5 | A399 W403 G414 L421 V422 P450 L481 | A399-L418 HydrophobicContact CB-CD2 3.78Å; A399-L418 HydrophobicContact CB-CG 4.02Å; W403-L418 HydrophobicContact CB-CD1 4.06Å; W403-L418 HydrophobicContact CD2-CD1 3.58Å; W403-L418 HydrophobicContact CE3-CD1 3.89Å; W403-L418 HydrophobicContact CG-CD1 3.66Å; G414-L418 WeakPolarHBondContact O-CB 3.45Å; G414-L418 VanDerWaalsContact O-CG 3.27Å; G414-L418 WeakPolarHBondContact O-CG 3.38Å; G414-L418 PolarHBondContact O-N 3.31Å; L418-L421 PolarHBondContact O-N 2.53Å; L418-V422 WeakPolarHBondContact O-CB 3.48Å; L418-V422 VanDerWaalsContact O-CG2 3.26Å; L418-V422 WeakPolarHBondContact O-CG2 3.35Å; L418-V422 PolarHBondContact O-N 2.85Å; L418-P450 HydrophobicContact CD1-CG 4.09Å; L418-P450 HydrophobicContact CD2-CG 3.97Å; L418-L481 HydrophobicContact CB-CD1 3.85Å; L418-L481 HydrophobicContact CB-CD2 4.04Å; L418-L481 HydrophobicContact CD1-CD2 4.12Å |
| 419 | R | 90.9 | Very high | 87.1 | Confident | 73 Ų | 73 | 24.1 Ų | 24.1 | 28% | 0.275 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 177.1 | -174.8 | 177.6 | 177 | -140.6 | -1.8 | 111.8 | S415 K416 L417 L421 V422 L423 L481 S484 | S415-R419 VanDerWaalsContact O-CB 3.26Å; S415-R419 WeakPolarHBondContact O-CB 2.96Å; S415-R419 PolarHBondContact O-N 3.46Å; K416-R419 PolarHBondContact O-N 2.9Å; L417-R419 VanDerWaalsContact C-N 3.27Å; L417-R419 PolarHBondContact O-N 2.71Å; R419-L421 VanDerWaalsContact C-N 3.31Å; R419-L421 PolarHBondContact O-N 3.19Å; R419-V422 PolarHBondContact O-N 3.02Å; R419-L423 HydrophobicContact CG-CD1 4.15Å; R419-L423 HydrophobicContact CG-CG 4.42Å; R419-L423 WeakPolarHBondContact O-CB 3.39Å; R419-L423 VanDerWaalsContact O-CG 3.27Å; R419-L423 WeakPolarHBondContact O-CG 3.38Å; R419-L423 PolarHBondContact O-N 3.12Å; R419-L481 HydrophobicContact CB-CD1 3.98Å; R419-S484 PolarHBondContact NE-OG 3.33Å |
| 420 | A | 88.7 | Confident | 87 | Confident | 6 Ų | 6 | 24.5 Ų | 24.5 | 5% | 0.05 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L365 K416 L417 L423 R424 | L365-A420 HydrophobicContact CB-CB 4.15Å; K416-A420 PolarHBondContact O-N 3.45Å; L417-A420 PolarHBondContact O-N 3.47Å; L417-A420 VanDerWaalsContact O-N 3.17Å; A420-L423 PolarHBondContact O-N 3.46Å; A420-R424 WeakPolarHBondContact O-CG 3.4Å; A420-R424 PolarHBondContact O-N 3.37Å |
| 421 | L | 90.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | 175.2 | -68.6 | 169.1 | 0 | 0 | 0 | 112.5 | L365 V390 V395 L417 L418 R419 L423 R424 A425 L449 | L365-L421 HydrophobicContact CD1-CD2 3.61Å; L365-L421 HydrophobicContact CD1-CG 4Å; L365-L421 HydrophobicContact CD2-CD2 4.29Å; V390-L421 HydrophobicContact CG1-CD2 4.32Å; V395-L421 HydrophobicContact CG2-CD1 3.59Å; L417-L421 WeakPolarHBondContact O-CG 3.39Å; L417-L421 PolarHBondContact O-N 3.29Å; L418-L421 PolarHBondContact O-N 2.53Å; R419-L421 VanDerWaalsContact C-N 3.31Å; R419-L421 PolarHBondContact O-N 3.19Å; L421-L423 VanDerWaalsContact C-N 3.34Å; L421-L423 PolarHBondContact O-N 2.96Å; L421-R424 PolarHBondContact O-N 2.85Å; L421-A425 WeakPolarHBondContact O-CB 3.39Å; L421-A425 PolarHBondContact O-N 3.48Å; L421-L449 HydrophobicContact CB-CD2 4.1Å |
| 422 | V | 88.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 174.9 | 166.5 | 0 | 0 | 0 | 0 | 111.2 | L418 R419 A425 D426 L449 L481 S484 L488 | L418-V422 WeakPolarHBondContact O-CB 3.48Å; L418-V422 VanDerWaalsContact O-CG2 3.26Å; L418-V422 WeakPolarHBondContact O-CG2 3.35Å; L418-V422 PolarHBondContact O-N 2.85Å; R419-V422 PolarHBondContact O-N 3.02Å; V422-A425 PolarHBondContact O-N 3.4Å; V422-D426 WeakPolarHBondContact O-CB 3.45Å; V422-D426 PolarHBondContact O-N 3.24Å; V422-L449 HydrophobicContact CG2-CD1 4.25Å; V422-L449 HydrophobicContact CG2-CD2 4.36Å; V422-L481 HydrophobicContact CG2-CD1 4.29Å; V422-S484 WeakPolarHBondContact CG1-O 3.35Å; V422-L488 HydrophobicContact CB-CD2 4.43Å; V422-L488 HydrophobicContact CG1-CB 4.08Å; V422-L488 HydrophobicContact CG1-CD2 3.94Å; V422-L488 HydrophobicContact CG2-CD2 4.4Å |
| 423 | L | 88.1 | Confident | 85.9 | Confident | 75 Ų | 75 | 31.1 Ų | 31.1 | 39% | 0.393 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -68 | -36 | 177.3 | -70 | 172 | 0 | 0 | 0 | 112.4 | R419 A420 L421 D426 R427 | R419-L423 HydrophobicContact CG-CD1 4.15Å; R419-L423 HydrophobicContact CG-CG 4.42Å; R419-L423 WeakPolarHBondContact O-CB 3.39Å; R419-L423 VanDerWaalsContact O-CG 3.27Å; R419-L423 WeakPolarHBondContact O-CG 3.38Å; R419-L423 PolarHBondContact O-N 3.12Å; A420-L423 PolarHBondContact O-N 3.46Å; L421-L423 VanDerWaalsContact C-N 3.34Å; L421-L423 PolarHBondContact O-N 2.96Å; L423-D426 PolarHBondContact O-N 3.36Å; L423-R427 WeakPolarHBondContact O-CB 3.46Å; L423-R427 PolarHBondContact O-N 3.45Å |
| 424 | R | 88.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.3 | -43.7 | 171.6 | -76.6 | -176.4 | 82.5 | 99.6 | -7.5 | 111.9 | L365 T368 V389 A420 L421 D426 R427 A428 | L365-R424 WeakPolarHBondContact O-CD 3.41Å; L365-R424 WeakPolarHBondContact O-CG 3.47Å; L365-R424 PolarHBondContact O-NH1 3.31Å; T368-R424 PolarHBondContact O-NH1 3.43Å; T368-R424 PolarHBondContact OG1-NH1 3.44Å; V389-R424 HydrophobicContact CG1-CB 4.07Å; V389-R424 WeakPolarHBondContact CG1-O 3.4Å; V389-R424 PolarHBondContact O-NE 2.99Å; A420-R424 WeakPolarHBondContact O-CG 3.4Å; A420-R424 PolarHBondContact O-N 3.37Å; L421-R424 PolarHBondContact O-N 2.85Å; R424-D426 VanDerWaalsContact C-N 3.32Å; R424-R427 PolarHBondContact O-N 3.45Å; R424-A428 WeakPolarHBondContact O-CB 3.32Å; R424-A428 PolarHBondContact O-N 3.22Å |
| 425 | A | 88.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V390 L421 V422 R427 A428 L429 F445 L449 L488 | V390-A425 HydrophobicContact CG2-CB 4.03Å; L421-A425 WeakPolarHBondContact O-CB 3.39Å; L421-A425 PolarHBondContact O-N 3.48Å; V422-A425 PolarHBondContact O-N 3.4Å; A425-R427 VanDerWaalsContact C-N 3.34Å; A425-R427 PolarHBondContact O-N 3.12Å; A425-A428 PolarHBondContact O-N 3.06Å; A425-L429 WeakPolarHBondContact O-CB 3.43Å; A425-L429 VanDerWaalsContact O-CG 3.27Å; A425-L429 WeakPolarHBondContact O-CG 3.41Å; A425-L429 PolarHBondContact O-N 2.93Å; A425-F445 HydrophobicContact CB-CD2 3.68Å; A425-F445 HydrophobicContact CB-CE2 3.73Å; A425-F445 HydrophobicContact CB-CG 4.14Å; A425-F445 HydrophobicContact CB-CZ 4.26Å; A425-L449 HydrophobicContact CB-CD1 4.14Å; A425-L488 HydrophobicContact CB-CD1 4.13Å; A425-L488 HydrophobicContact CB-CD2 3.99Å |
| 426 | D | 86.4 | Confident | 84 | Confident | 29 Ų | 29 | 43.4 Ų | 43.4 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 176.8 | -165.1 | 69.9 | 0 | 0 | 0 | 111.9 | V422 L423 R424 L429 N430 L488 R491 | V422-D426 WeakPolarHBondContact O-CB 3.45Å; V422-D426 PolarHBondContact O-N 3.24Å; L423-D426 PolarHBondContact O-N 3.36Å; R424-D426 VanDerWaalsContact C-N 3.32Å; D426-L429 PolarHBondContact O-N 2.84Å; D426-N430 PolarHBondContact O-N 3.23Å; D426-L488 HydrophobicContact CB-CD1 4.12Å; D426-R491 PolarHBondContact O-NH1 3.34Å; D426-R491 IonicContact OD1-CZ 3.54Å; D426-R491 IonicContact OD1-NE 3.79Å; D426-R491 IonicContact OD1-NH1 3.44Å; D426-R491 PolarHBondContact OD1-NH1 2.91Å; D426-R491 IonicContact OD1-NH2 2.76Å; D426-R491 PolarHBondContact OD1-NH2 3.45Å; D426-R491 IonicContact OD2-CZ 3.31Å; D426-R491 IonicContact OD2-NH1 3.31Å; D426-R491 PolarHBondContact OD2-NH1 2.85Å; D426-R491 IonicContact OD2-NH2 3.38Å; D426-R491 PolarHBondContact OD2-NH2 2.99Å; D426-R491 VanDerWaalsContact OD2-NH2 3.13Å |
| 427 | R | 86.2 | Confident | 83.2 | Confident | 87 Ų | 87 | 41.6 Ų | 41.6 | 33% | 0.328 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.1 | -42 | 176.5 | -169.8 | 168 | -175.8 | 155.7 | 7.7 | 112.5 | S369 D373 L423 R424 A425 L429 N430 A431 | S369-R427 WeakPolarHBondContact O-CD 3.42Å; S369-R427 PolarHBondContact O-NE 3.03Å; S369-R427 PolarHBondContact OG-NH1 3.11Å; D373-R427 WeakPolarHBondContact OD1-CG 3.42Å; D373-R427 IonicContact OD1-NE 3.51Å; D373-R427 PolarHBondContact OD1-NE 3.49Å; D373-R427 IonicContact OD2-CZ 3.18Å; D373-R427 VanDerWaalsContact OD2-CZ 3.24Å; D373-R427 IonicContact OD2-NE 3.93Å; D373-R427 PolarHBondContact OD2-NE 2.93Å; D373-R427 IonicContact OD2-NH2 2.69Å; D373-R427 PolarHBondContact OD2-NH2 3.17Å; L423-R427 WeakPolarHBondContact O-CB 3.46Å; L423-R427 PolarHBondContact O-N 3.45Å; R424-R427 PolarHBondContact O-N 3.45Å; A425-R427 VanDerWaalsContact C-N 3.34Å; A425-R427 PolarHBondContact O-N 3.12Å; R427-L429 VanDerWaalsContact C-N 3.35Å; R427-L429 PolarHBondContact O-N 3.27Å; R427-N430 WeakPolarHBondContact O-CB 3.48Å; R427-N430 PolarHBondContact O-N 2.76Å; R427-N430 VanDerWaalsContact O-N 3.16Å; R427-A431 WeakPolarHBondContact O-CB 3.37Å; R427-A431 PolarHBondContact O-N 2.85Å |
| 428 | A | 84 | Confident | 82.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V372 F385 V389 R424 A425 N430 A431 L432 F445 | V372-A428 HydrophobicContact CG1-CB 3.48Å; V372-A428 VanDerWaalsContact CG1-CB 3.48Å; F385-A428 HydrophobicContact CE1-CB 4.03Å; F385-A428 HydrophobicContact CZ-CB 4.03Å; V389-A428 HydrophobicContact CB-CB 4.27Å; V389-A428 HydrophobicContact CG1-CB 3.57Å; V389-A428 HydrophobicContact CG2-CB 3.78Å; R424-A428 WeakPolarHBondContact O-CB 3.32Å; R424-A428 PolarHBondContact O-N 3.22Å; A425-A428 PolarHBondContact O-N 3.06Å; A428-N430 VanDerWaalsContact C-N 3.28Å; A428-N430 PolarHBondContact O-N 3.44Å; A428-A431 PolarHBondContact O-N 3.49Å; A428-A431 VanDerWaalsContact O-N 3.1Å; A428-L432 VanDerWaalsContact O-CG 3.24Å; A428-L432 WeakPolarHBondContact O-CG 3.17Å; A428-L432 PolarHBondContact O-N 3.04Å; A428-F445 HydrophobicContact CB-CE2 4.26Å; A428-F445 HydrophobicContact CB-CZ 4.22Å |
| 429 | L | 83.5 | Confident | 82.3 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -31.9 | 177.1 | -68.5 | 173.4 | 0 | 0 | 0 | 112.7 | A425 D426 R427 L432 F438 V441 F445 L488 L492 | A425-L429 WeakPolarHBondContact O-CB 3.43Å; A425-L429 VanDerWaalsContact O-CG 3.27Å; A425-L429 WeakPolarHBondContact O-CG 3.41Å; A425-L429 PolarHBondContact O-N 2.93Å; D426-L429 PolarHBondContact O-N 2.84Å; R427-L429 VanDerWaalsContact C-N 3.35Å; R427-L429 PolarHBondContact O-N 3.27Å; L429-L432 HydrophobicContact CD2-CD1 4.3Å; L429-F438 HydrophobicContact CB-CD2 4.08Å; L429-F438 HydrophobicContact CB-CE2 3.71Å; L429-F438 HydrophobicContact CD1-CE2 4.33Å; L429-F438 HydrophobicContact CD1-CZ 4.42Å; L429-F438 HydrophobicContact CD2-CD2 3.73Å; L429-F438 HydrophobicContact CD2-CE2 3.79Å; L429-F438 HydrophobicContact CD2-CG 4.17Å; L429-F438 HydrophobicContact CD2-CZ 4.22Å; L429-F438 HydrophobicContact CG-CD2 4.44Å; L429-F438 HydrophobicContact CG-CE2 4.13Å; L429-V441 HydrophobicContact CD2-CG1 4.45Å; L429-F445 HydrophobicContact CD1-CD2 4.29Å; L429-F445 HydrophobicContact CD2-CD2 4.33Å; L429-F445 HydrophobicContact CD2-CE2 4.23Å; L429-F445 HydrophobicContact CG-CD2 4.23Å; L429-F445 HydrophobicContact CG-CE2 4.06Å; L429-L488 HydrophobicContact CD1-CD1 3.51Å; L429-L492 HydrophobicContact CD1-CD1 4.47Å; L429-L492 HydrophobicContact CD1-CD2 3.47Å; L429-L492 VanDerWaalsContact CD1-CD2 3.47Å; L429-L492 HydrophobicContact CD1-CG 3.85Å; L429-L492 HydrophobicContact CD2-CD2 4.08Å; L429-L492 HydrophobicContact CG-CD2 4.44Å |
| 430 | N | 80.1 | Confident | 81.7 | Confident | 101 Ų | 101 | 52.3 Ų | 52.3 | 54% | 0.54 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.8 | -35.5 | 171.4 | -85.8 | -25.4 | 0 | 0 | 0 | 113 | D426 R427 A428 L432 R491 | D426-N430 PolarHBondContact O-N 3.23Å; R427-N430 WeakPolarHBondContact O-CB 3.48Å; R427-N430 PolarHBondContact O-N 2.76Å; R427-N430 VanDerWaalsContact O-N 3.16Å; A428-N430 VanDerWaalsContact C-N 3.28Å; A428-N430 PolarHBondContact O-N 3.44Å; N430-L432 VanDerWaalsContact C-N 3.34Å; N430-R491 PolarHBondContact ND2-NH1 3.21Å; N430-R491 PolarHBondContact OD1-NH1 3.02Å |
| 431 | A | 78.7 | Confident | 81.4 | Confident | 21 Ų | 21 | 52 Ų | 52 | 17% | 0.174 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -78.4 | -20.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S376 R427 A428 Q433 | S376-A431 WeakPolarHBondContact OG-CB 3.15Å; S376-A431 PolarHBondContact OG-O 2.75Å; R427-A431 WeakPolarHBondContact O-CB 3.37Å; R427-A431 PolarHBondContact O-N 2.85Å; A428-A431 PolarHBondContact O-N 3.49Å; A428-A431 VanDerWaalsContact O-N 3.1Å; A431-Q433 PolarHBondContact O-N 2.92Å |
| 432 | L | 79.7 | Confident | 81 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | trans | -78.2 | 115.5 | 175.3 | -70.9 | 169 | 0 | 0 | 0 | 110.2 | L379 F385 A428 L429 N430 L437 V441 | L379-L432 HydrophobicContact CD1-CD2 4.04Å; F385-L432 HydrophobicContact CE1-CD1 4.2Å; F385-L432 HydrophobicContact CE1-CD2 4.15Å; F385-L432 HydrophobicContact CE1-CG 4.31Å; A428-L432 VanDerWaalsContact O-CG 3.24Å; A428-L432 WeakPolarHBondContact O-CG 3.17Å; A428-L432 PolarHBondContact O-N 3.04Å; L429-L432 HydrophobicContact CD2-CD1 4.3Å; N430-L432 VanDerWaalsContact C-N 3.34Å; L432-L437 HydrophobicContact CD2-CB 4.43Å; L432-V441 HydrophobicContact CD1-CB 3.88Å; L432-V441 HydrophobicContact CD1-CG1 4Å; L432-V441 HydrophobicContact CD1-CG2 3.83Å | ||
| 433 | Q | 70.9 | Confident | 80.6 | Confident | 140 Ų | 140 | 55 Ų | 55 | 65% | 0.654 | 27% | 0.273 | S | S | * | . | trans | -87.1 | -22 | 179.1 | -63.1 | -176.1 | -7.3 | 0 | 0 | 113.3 | A431 | A431-Q433 PolarHBondContact O-N 2.92Š| ||
| 434 | D | 74.1 | Confident | 80.2 | Confident | 78 Ų | 78 | 53 Ų | 53 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | trans | -91.3 | 122.2 | -177.7 | 179.8 | -5.2 | 0 | 0 | 0 | 111.2 | D436 L437 F438 | D434-D436 VanDerWaalsContact C-N 3.32Å; D434-D436 PolarHBondContact O-N 3.28Å; D434-D436 PolarHBondContact OD1-N 3.07Å; D434-L437 HydrophobicContact CB-CB 4.02Å; D434-L437 HydrophobicContact CB-CD1 3.86Å; D434-L437 HydrophobicContact CB-CG 4.14Å; D434-L437 PolarHBondContact O-N 3.37Å; D434-F438 VanDerWaalsContact O-CB 3.29Å; D434-F438 WeakPolarHBondContact O-CB 3.39Å; D434-F438 PolarHBondContact O-N 3.22Å | ||
| 435 | D | 73.4 | Confident | 80.1 | Confident | 109 Ų | 109 | 53.1 Ų | 53.1 | 58% | 0.583 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.7 | -32 | -179.7 | -80.7 | -10.1 | 0 | 0 | 0 | 113.1 | R439 | D435-R439 WeakPolarHBondContact O-CG 3.46Å; D435-R439 PolarHBondContact O-N 3.44Å; D435-R439 VanDerWaalsContact O-N 3.07Å |
| 436 | D | 74.6 | Confident | 79.7 | Confident | 93 Ų | 93 | 57.3 Ų | 57.3 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -77.8 | -40.9 | -179.7 | -79.3 | -18.2 | 0 | 0 | 0 | 110.8 | D434 R439 Q440 | D434-D436 VanDerWaalsContact C-N 3.32Å; D434-D436 PolarHBondContact O-N 3.28Å; D434-D436 PolarHBondContact OD1-N 3.07Å; D436-R439 PolarHBondContact O-N 3.33Å; D436-R439 IonicContact OD1-NH1 3.31Å; D436-R439 PolarHBondContact OD1-NH1 3.13Å; D436-R439 VanDerWaalsContact OD1-NH1 3.14Å; D436-Q440 WeakPolarHBondContact O-CG 3.29Å; D436-Q440 PolarHBondContact O-N 2.8Å |
| 437 | L | 73 | Confident | 79.2 | Confident | 40 Ų | 40 | 62.3 Ų | 62.3 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 168.9 | -73.8 | 172.6 | 0 | 0 | 0 | 111.2 | L379 V382 L432 D434 R439 Q440 V441 | L379-L437 HydrophobicContact CD2-CD1 4.25Å; L379-L437 HydrophobicContact CD2-CD2 3.87Å; V382-L437 HydrophobicContact CB-CD2 4.49Å; V382-L437 HydrophobicContact CG1-CD2 4.45Å; V382-L437 HydrophobicContact CG2-CD2 3.31Å; L432-L437 HydrophobicContact CD2-CB 4.43Å; D434-L437 HydrophobicContact CB-CB 4.02Å; D434-L437 HydrophobicContact CB-CD1 3.86Å; D434-L437 HydrophobicContact CB-CG 4.14Å; D434-L437 PolarHBondContact O-N 3.37Å; L437-R439 VanDerWaalsContact C-N 3.27Å; L437-R439 PolarHBondContact O-N 2.89Å; L437-Q440 PolarHBondContact O-N 3.49Å; L437-V441 WeakPolarHBondContact O-CB 3.36Å; L437-V441 VanDerWaalsContact O-CG2 3.31Å; L437-V441 WeakPolarHBondContact O-CG2 3.48Å; L437-V441 PolarHBondContact O-N 3.32Å |
| 438 | F | 80.9 | Confident | 79 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.5 | -45.1 | 173.8 | 175.8 | -77.8 | 0 | 0 | 0 | 111.2 | L429 D434 G442 R491 L492 | L429-F438 HydrophobicContact CB-CD2 4.08Å; L429-F438 HydrophobicContact CB-CE2 3.71Å; L429-F438 HydrophobicContact CD1-CE2 4.33Å; L429-F438 HydrophobicContact CD1-CZ 4.42Å; L429-F438 HydrophobicContact CD2-CD2 3.73Å; L429-F438 HydrophobicContact CD2-CE2 3.79Å; L429-F438 HydrophobicContact CD2-CG 4.17Å; L429-F438 HydrophobicContact CD2-CZ 4.22Å; L429-F438 HydrophobicContact CG-CD2 4.44Å; L429-F438 HydrophobicContact CG-CE2 4.13Å; D434-F438 VanDerWaalsContact O-CB 3.29Å; D434-F438 WeakPolarHBondContact O-CB 3.39Å; D434-F438 PolarHBondContact O-N 3.22Å; F438-G442 WeakPolarHBondContact O-CA 3.36Å; F438-G442 PolarHBondContact O-N 3.13Å; F438-R491 HydrophobicContact CE2-CG 4.1Å; F438-R491 HydrophobicContact CZ-CG 3.96Å; F438-R491 WeakPolarHBondContact CZ-O 3.41Å; F438-L492 HydrophobicContact CE1-CD2 4.18Å; F438-L492 HydrophobicContact CZ-CD2 4.2Å |
| 439 | R | 78.3 | Confident | 79.2 | Confident | 158 Ų | 158 | 59.7 Ų | 59.7 | 60% | 0.596 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.9 | -41.6 | 178.1 | -75.1 | -173.2 | -164.1 | 119.9 | 7.6 | 113 | D435 D436 L437 S443 | D435-R439 WeakPolarHBondContact O-CG 3.46Å; D435-R439 PolarHBondContact O-N 3.44Å; D435-R439 VanDerWaalsContact O-N 3.07Å; D436-R439 PolarHBondContact O-N 3.33Å; D436-R439 IonicContact OD1-NH1 3.31Å; D436-R439 PolarHBondContact OD1-NH1 3.13Å; D436-R439 VanDerWaalsContact OD1-NH1 3.14Å; L437-R439 VanDerWaalsContact C-N 3.27Å; L437-R439 PolarHBondContact O-N 2.89Å; R439-S443 WeakPolarHBondContact O-CB 3.44Å; R439-S443 PolarHBondContact O-N 2.92Å |
| 440 | Q | 78.8 | Confident | 79.1 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.5 | -49 | 179.7 | -69.6 | 178 | 30.4 | 0 | 0 | 111.3 | V382 D436 L437 G442 S443 I444 | V382-Q440 HydrophobicContact CG1-CB 3.78Å; D436-Q440 WeakPolarHBondContact O-CG 3.29Å; D436-Q440 PolarHBondContact O-N 2.8Å; L437-Q440 PolarHBondContact O-N 3.49Å; Q440-G442 VanDerWaalsContact C-N 3.34Å; Q440-G442 PolarHBondContact O-N 3.25Å; Q440-S443 WeakPolarHBondContact O-CB 3.42Å; Q440-S443 PolarHBondContact O-N 3.29Å; Q440-I444 WeakPolarHBondContact O-CG1 3.2Å; Q440-I444 PolarHBondContact O-N 2.87Å |
| 441 | V | 81.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.9 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | V382 F385 A386 L429 L432 L437 S443 I444 F445 | V382-V441 HydrophobicContact CG1-CG2 3.48Å; V382-V441 VanDerWaalsContact CG1-CG2 3.48Å; F385-V441 HydrophobicContact CD1-CG1 4.45Å; F385-V441 HydrophobicContact CD1-CG2 4.14Å; F385-V441 HydrophobicContact CE1-CG1 4.49Å; A386-V441 HydrophobicContact CB-CG1 4.41Å; L429-V441 HydrophobicContact CD2-CG1 4.45Å; L432-V441 HydrophobicContact CD1-CB 3.88Å; L432-V441 HydrophobicContact CD1-CG1 4Å; L432-V441 HydrophobicContact CD1-CG2 3.83Å; L437-V441 WeakPolarHBondContact O-CB 3.36Å; L437-V441 VanDerWaalsContact O-CG2 3.31Å; L437-V441 WeakPolarHBondContact O-CG2 3.48Å; L437-V441 PolarHBondContact O-N 3.32Å; V441-S443 VanDerWaalsContact C-N 3.31Å; V441-S443 PolarHBondContact O-N 3.35Å; V441-I444 PolarHBondContact O-N 3.03Å; V441-I444 VanDerWaalsContact O-N 3.17Å; V441-F445 HydrophobicContact CG1-CD1 4.48Å; V441-F445 HydrophobicContact CG1-CD2 3.98Å; V441-F445 HydrophobicContact CG1-CE1 3.89Å; V441-F445 HydrophobicContact CG1-CE2 3.33Å; V441-F445 HydrophobicContact CG1-CZ 3.25Å; V441-F445 WeakPolarHBondContact O-CG 3.17Å; V441-F445 PolarHBondContact O-N 3.1Å |
| 442 | G | 83.8 | Confident | 79.5 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60 | -37.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F438 Q440 F445 F446 | F438-G442 WeakPolarHBondContact O-CA 3.36Å; F438-G442 PolarHBondContact O-N 3.13Å; Q440-G442 VanDerWaalsContact C-N 3.34Å; Q440-G442 PolarHBondContact O-N 3.25Å; G442-F445 PolarHBondContact O-N 2.87Å; G442-F446 WeakPolarHBondContact O-CD2 3.49Å; G442-F446 PolarHBondContact O-N 3.49Å |
| 443 | S | 79.2 | Confident | 79.5 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 43% | 0.427 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 174.1 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | R439 Q440 V441 F445 F446 E447 | R439-S443 WeakPolarHBondContact O-CB 3.44Å; R439-S443 PolarHBondContact O-N 2.92Å; Q440-S443 WeakPolarHBondContact O-CB 3.42Å; Q440-S443 PolarHBondContact O-N 3.29Å; V441-S443 VanDerWaalsContact C-N 3.31Å; V441-S443 PolarHBondContact O-N 3.35Å; S443-F445 VanDerWaalsContact C-N 3.34Å; S443-F445 PolarHBondContact O-N 3.19Å; S443-F446 PolarHBondContact O-N 3.39Å; S443-E447 PolarHBondContact O-N 3.02Å; S443-E447 VanDerWaalsContact O-N 3.16Å |
| 444 | I | 80.9 | Confident | 80 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 18% | 0.179 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.7 | -61.3 | 167.4 | 0 | 0 | 0 | 110 | E383 A386 Q440 V441 F446 E447 V448 | E383-I444 HydrophobicContact CG-CD1 4.25Å; A386-I444 HydrophobicContact CB-CB 3.93Å; A386-I444 HydrophobicContact CB-CD1 3.59Å; A386-I444 HydrophobicContact CB-CG1 4.37Å; A386-I444 HydrophobicContact CB-CG2 3.68Å; Q440-I444 WeakPolarHBondContact O-CG1 3.2Å; Q440-I444 PolarHBondContact O-N 2.87Å; V441-I444 PolarHBondContact O-N 3.03Å; V441-I444 VanDerWaalsContact O-N 3.17Å; I444-F446 VanDerWaalsContact C-N 3.32Å; I444-F446 PolarHBondContact O-N 2.72Å; I444-E447 PolarHBondContact O-N 3.28Å; I444-E447 VanDerWaalsContact O-N 3.14Å; I444-V448 HydrophobicContact CG2-CG2 4.18Å; I444-V448 VanDerWaalsContact O-CG2 3.27Å; I444-V448 WeakPolarHBondContact O-CG2 3.45Å; I444-V448 PolarHBondContact O-N 2.82Å |
| 445 | F | 85.9 | Confident | 80.5 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.7 | -36.5 | 175.6 | -64.8 | -18.6 | 0 | 0 | 0 | 113.1 | A386 V389 V390 A425 A428 L429 V441 G442 S443 E447 V448 L449 | A386-F445 HydrophobicContact CB-CE1 4.21Å; V389-F445 HydrophobicContact CB-CE1 4.13Å; V389-F445 HydrophobicContact CB-CZ 3.86Å; V389-F445 HydrophobicContact CG1-CE1 4.15Å; V389-F445 HydrophobicContact CG1-CE2 4.47Å; V389-F445 HydrophobicContact CG1-CZ 3.62Å; V390-F445 HydrophobicContact CB-CD1 4.15Å; V390-F445 HydrophobicContact CB-CE1 4.09Å; V390-F445 HydrophobicContact CG2-CD1 3.73Å; V390-F445 HydrophobicContact CG2-CE1 3.64Å; V390-F445 HydrophobicContact CG2-CZ 4.33Å; A425-F445 HydrophobicContact CB-CD2 3.68Å; A425-F445 HydrophobicContact CB-CE2 3.73Å; A425-F445 HydrophobicContact CB-CG 4.14Å; A425-F445 HydrophobicContact CB-CZ 4.26Å; A428-F445 HydrophobicContact CB-CE2 4.26Å; A428-F445 HydrophobicContact CB-CZ 4.22Å; L429-F445 HydrophobicContact CD1-CD2 4.29Å; L429-F445 HydrophobicContact CD2-CD2 4.33Å; L429-F445 HydrophobicContact CD2-CE2 4.23Å; L429-F445 HydrophobicContact CG-CD2 4.23Å; L429-F445 HydrophobicContact CG-CE2 4.06Å; V441-F445 HydrophobicContact CG1-CD1 4.48Å; V441-F445 HydrophobicContact CG1-CD2 3.98Å; V441-F445 HydrophobicContact CG1-CE1 3.89Å; V441-F445 HydrophobicContact CG1-CE2 3.33Å; V441-F445 HydrophobicContact CG1-CZ 3.25Å; V441-F445 WeakPolarHBondContact O-CG 3.17Å; V441-F445 PolarHBondContact O-N 3.1Å; G442-F445 PolarHBondContact O-N 2.87Å; S443-F445 VanDerWaalsContact C-N 3.34Å; S443-F445 PolarHBondContact O-N 3.19Å; F445-E447 VanDerWaalsContact C-N 3.32Å; F445-V448 PolarHBondContact O-N 3.27Å; F445-L449 HydrophobicContact CB-CD1 4.32Å; F445-L449 WeakPolarHBondContact O-CB 3.34Å; F445-L449 PolarHBondContact O-N 2.89Å |
| 446 | F | 78.9 | Confident | 81 | Confident | 89 Ų | 89 | 50.4 Ų | 50.4 | 39% | 0.39 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.4 | -33.9 | 173.2 | -82.5 | -58.2 | 0 | 0 | 0 | 113.3 | G442 S443 I444 F489 L492 | G442-F446 WeakPolarHBondContact O-CD2 3.49Å; G442-F446 PolarHBondContact O-N 3.49Å; S443-F446 PolarHBondContact O-N 3.39Å; I444-F446 VanDerWaalsContact C-N 3.32Å; I444-F446 PolarHBondContact O-N 2.72Å; F446-F489 HydrophobicContact CD1-CD1 4.31Å; F446-F489 AromaticContact CD1-CE1 3.78Å; F446-F489 HydrophobicContact CD1-CE1 3.78Å; F446-F489 HydrophobicContact CD1-CZ 4.08Å; F446-F489 AromaticContact CE1-CD1 3.53Å; F446-F489 HydrophobicContact CE1-CD1 3.53Å; F446-F489 AromaticContact CE1-CE1 3.46Å; F446-F489 HydrophobicContact CE1-CE1 3.46Å; F446-F489 VanDerWaalsContact CE1-CE1 3.46Å; F446-F489 HydrophobicContact CE1-CG 4.18Å; F446-F489 HydrophobicContact CE1-CZ 4.08Å; F446-F489 HydrophobicContact CZ-CD1 4.47Å; F446-L492 HydrophobicContact CD1-CD1 4.28Å; F446-L492 HydrophobicContact CD2-CD1 4.16Å; F446-L492 HydrophobicContact CE1-CB 4.35Å; F446-L492 HydrophobicContact CE1-CD1 3.87Å; F446-L492 HydrophobicContact CE2-CB 3.58Å; F446-L492 HydrophobicContact CE2-CD1 3.76Å; F446-L492 HydrophobicContact CE2-CD2 4.35Å; F446-L492 HydrophobicContact CE2-CG 4.11Å; F446-L492 HydrophobicContact CG-CD1 4.41Å; F446-L492 HydrophobicContact CZ-CB 3.38Å; F446-L492 HydrophobicContact CZ-CD1 3.61Å; F446-L492 HydrophobicContact CZ-CG 4.09Å |
| 447 | E | 77.7 | Confident | 81.5 | Confident | 134 Ų | 134 | 50.7 Ų | 50.7 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -75.9 | -31.5 | 178.1 | -71.5 | -178.5 | -175 | 0 | 0 | 112.7 | S443 I444 F445 | S443-E447 PolarHBondContact O-N 3.02Å; S443-E447 VanDerWaalsContact O-N 3.16Å; I444-E447 PolarHBondContact O-N 3.28Å; I444-E447 VanDerWaalsContact O-N 3.14Å; F445-E447 VanDerWaalsContact C-N 3.32Å |
| 448 | V | 81.9 | Confident | 82.1 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 13% | 0.127 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -94.6 | -41.6 | -171.4 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | V390 D392 V395 I444 F445 | V390-V448 HydrophobicContact CG1-CB 4.48Å; V390-V448 HydrophobicContact CG1-CG1 3.7Å; D392-V448 WeakPolarHBondContact OD1-CG2 3.26Å; V395-V448 HydrophobicContact CB-CG1 4.1Å; V395-V448 WeakPolarHBondContact CG1-O 3.34Å; V395-V448 HydrophobicContact CG2-CG1 3.86Å; I444-V448 HydrophobicContact CG2-CG2 4.18Å; I444-V448 VanDerWaalsContact O-CG2 3.27Å; I444-V448 WeakPolarHBondContact O-CG2 3.45Å; I444-V448 PolarHBondContact O-N 2.82Å; F445-V448 PolarHBondContact O-N 3.27Å |
| 449 | L | 87 | Confident | 82.5 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -80.5 | 154.4 | -178.3 | -68.1 | 171.9 | 0 | 0 | 0 | 112.2 | V390 L421 V422 A425 F445 L488 | V390-L449 HydrophobicContact CG1-CD2 4.03Å; V390-L449 HydrophobicContact CG1-CG 4.39Å; L421-L449 HydrophobicContact CB-CD2 4.1Å; V422-L449 HydrophobicContact CG2-CD1 4.25Å; V422-L449 HydrophobicContact CG2-CD2 4.36Å; A425-L449 HydrophobicContact CB-CD1 4.14Å; F445-L449 HydrophobicContact CB-CD1 4.32Å; F445-L449 WeakPolarHBondContact O-CB 3.34Å; F445-L449 PolarHBondContact O-N 2.89Å; L449-L488 HydrophobicContact CD1-CD2 3.66Å |
| 450 | P | 82.7 | Confident | 82.8 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -64 | 141.5 | 177.2 | 27 | -35 | 0 | 0 | 0 | 111.4 | W403 L418 V455 | W403-P450 HydrophobicContact CH2-CB 4.1Å; W403-P450 HydrophobicContact CZ3-CB 3.71Å; W403-P450 HydrophobicContact CZ3-CG 4.34Å; L418-P450 HydrophobicContact CD1-CG 4.09Å; L418-P450 HydrophobicContact CD2-CG 3.97Å; P450-V455 HydrophobicContact CB-CG2 4.28Å; P450-V455 HydrophobicContact CG-CG2 4.11Å |
| 451 | A | 82.9 | Confident | 83 | Confident | 47 Ų | 47 | 41.7 Ų | 41.7 | 39% | 0.388 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -62.4 | 142.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E453 E454 V455 | A451-E453 PolarHBondContact O-N 3.25Å; A451-E453 VanDerWaalsContact O-N 3.08Å; A451-E454 HydrophobicContact CB-CG 4.35Å; A451-E454 WeakPolarHBondContact O-CB 3.46Å; A451-E454 PolarHBondContact O-N 3.1Å; A451-V455 PolarHBondContact O-N 3.17Å |
| 452 | F | 83 | Confident | 83.2 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52.5 | -34.9 | 180 | 172 | -93.6 | 0 | 0 | 0 | 113.7 | V455 R456 L482 N485 L486 F489 F496 V500 I505 F1624 | F452-V455 WeakPolarHBondContact O-CB 3.27Å; F452-V455 PolarHBondContact O-N 3.08Å; F452-R456 WeakPolarHBondContact O-CB 3.41Å; F452-R456 PolarHBondContact O-N 3Å; F452-L482 HydrophobicContact CD2-CD1 4.06Å; F452-L482 HydrophobicContact CE2-CD1 3.49Å; F452-L482 VanDerWaalsContact CE2-CD1 3.49Å; F452-L482 HydrophobicContact CE2-CG 4.38Å; F452-L482 HydrophobicContact CZ-CD1 3.86Å; F452-N485 WeakPolarHBondContact CA-OD1 3.48Å; F452-N485 WeakPolarHBondContact CB-OD1 3.27Å; F452-N485 WeakPolarHBondContact CD2-OD1 3.42Å; F452-L486 HydrophobicContact CD2-CB 4.47Å; F452-L486 HydrophobicContact CE2-CB 3.76Å; F452-L486 HydrophobicContact CE2-CD1 4.11Å; F452-L486 HydrophobicContact CE2-CG 4.13Å; F452-L486 HydrophobicContact CZ-CD1 4.14Å; F452-F489 HydrophobicContact CB-CD1 4.13Å; F452-F489 HydrophobicContact CB-CE1 4.1Å; F452-F489 HydrophobicContact CB-CG 4.38Å; F452-F489 HydrophobicContact CB-CZ 4.29Å; F452-F496 HydrophobicContact CB-CE2 4.45Å; F452-F496 HydrophobicContact CB-CZ 4.12Å; F452-F496 HydrophobicContact CD1-CE2 4.42Å; F452-F496 AromaticContact CD1-CZ 3.84Å; F452-F496 HydrophobicContact CD1-CZ 3.84Å; F452-F496 AromaticContact CD2-CZ 3.86Å; F452-F496 HydrophobicContact CD2-CZ 3.86Å; F452-F496 HydrophobicContact CE1-CZ 4.14Å; F452-F496 HydrophobicContact CE2-CZ 4.19Å; F452-F496 HydrophobicContact CG-CE2 4.35Å; F452-F496 AromaticContact CG-CZ 3.66Å; F452-F496 HydrophobicContact CG-CZ 3.66Å; F452-F496 HydrophobicContact CZ-CZ 4.29Å; F452-V500 HydrophobicContact CE1-CG2 4.23Å; F452-V500 HydrophobicContact CZ-CG1 4.27Å; F452-V500 HydrophobicContact CZ-CG2 4.43Å; F452-I505 HydrophobicContact CE1-CD1 4.35Å; F452-I505 HydrophobicContact CZ-CD1 3.64Å; F452-F1624 HydrophobicContact CB-CE1 3.93Å; F452-F1624 AromaticContact CD1-CE1 3.49Å; F452-F1624 HydrophobicContact CD1-CE1 3.49Å; F452-F1624 VanDerWaalsContact CD1-CE1 3.49Å; F452-F1624 AromaticContact CD1-CZ 3.6Å; F452-F1624 HydrophobicContact CD1-CZ 3.6Å; F452-F1624 HydrophobicContact CE1-CE1 4.41Å; F452-F1624 HydrophobicContact CE1-CZ 4.09Å; F452-F1624 HydrophobicContact CG-CE1 4.09Å |
| 453 | E | 79.2 | Confident | 83 | Confident | 48 Ų | 48 | 46 Ų | 46 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.8 | -35.8 | 177.2 | -173.2 | 59.1 | -162.5 | 0 | 0 | 112.7 | A451 V455 R456 L457 | A451-E453 PolarHBondContact O-N 3.25Å; A451-E453 VanDerWaalsContact O-N 3.08Å; E453-V455 VanDerWaalsContact C-N 3.29Å; E453-V455 PolarHBondContact O-N 3.2Å; E453-R456 PolarHBondContact O-N 2.95Å; E453-R456 IonicContact OE1-CZ 2.92Å; E453-R456 IonicContact OE1-NE 3.22Å; E453-R456 PolarHBondContact OE1-NE 3.04Å; E453-R456 IonicContact OE1-NH2 3.62Å; E453-R456 PolarHBondContact OE1-NH2 3.2Å; E453-R456 IonicContact OE2-CZ 3.39Å; E453-R456 IonicContact OE2-NE 2.67Å; E453-R456 PolarHBondContact OE2-NE 3.1Å; E453-R456 IonicContact OE2-NH2 3.13Å; E453-R456 PolarHBondContact OE2-NH2 3.2Å; E453-L457 HydrophobicContact CG-CD1 4.22Å; E453-L457 HydrophobicContact CG-CG 4.43Å; E453-L457 WeakPolarHBondContact O-CB 3.48Å; E453-L457 VanDerWaalsContact O-CG 3.28Å; E453-L457 WeakPolarHBondContact O-CG 3.3Å; E453-L457 PolarHBondContact O-N 3.24Å |
| 454 | E | 81.6 | Confident | 83.2 | Confident | 89 Ų | 89 | 49.7 Ų | 49.7 | 42% | 0.416 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 172.6 | -63.4 | -174 | 169.4 | 0 | 0 | 110.3 | M400 W403 A451 C458 | M400-E454 WeakPolarHBondContact CE-OE2 3.23Å; W403-E454 HydrophobicContact CH2-CB 3.82Å; W403-E454 HydrophobicContact CZ3-CB 4.14Å; A451-E454 HydrophobicContact CB-CG 4.35Å; A451-E454 WeakPolarHBondContact O-CB 3.46Å; A451-E454 PolarHBondContact O-N 3.1Å; E454-C458 VanDerWaalsContact O-CB 3.3Å; E454-C458 WeakPolarHBondContact O-CB 3.28Å; E454-C458 PolarHBondContact O-N 3.33Å |
| 455 | V | 86.3 | Confident | 83.2 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 176.8 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | W403 P450 A451 F452 E453 C458 F459 L481 L482 | W403-V455 HydrophobicContact CH2-CG2 3.99Å; W403-V455 HydrophobicContact CZ2-CG2 4.22Å; P450-V455 HydrophobicContact CB-CG2 4.28Å; P450-V455 HydrophobicContact CG-CG2 4.11Å; A451-V455 PolarHBondContact O-N 3.17Å; F452-V455 WeakPolarHBondContact O-CB 3.27Å; F452-V455 PolarHBondContact O-N 3.08Å; E453-V455 VanDerWaalsContact C-N 3.29Å; E453-V455 PolarHBondContact O-N 3.2Å; V455-C458 PolarHBondContact O-N 2.95Å; V455-F459 PolarHBondContact O-N 2.91Å; V455-L481 HydrophobicContact CG1-CB 4.38Å; V455-L481 HydrophobicContact CG1-CD2 4.02Å; V455-L481 HydrophobicContact CG1-CG 3.76Å; V455-L481 HydrophobicContact CG2-CD2 4.44Å; V455-L482 HydrophobicContact CB-CD1 4.46Å; V455-L482 HydrophobicContact CG1-CB 4.03Å; V455-L482 HydrophobicContact CG1-CD1 4.06Å |
| 456 | R | 83.7 | Confident | 83.1 | Confident | 81 Ų | 81 | 56.8 Ų | 56.8 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 177.6 | -165.7 | -175.4 | 75.6 | 90.7 | 1.1 | 111.7 | F452 E453 C458 F459 M460 L482 | F452-R456 WeakPolarHBondContact O-CB 3.41Å; F452-R456 PolarHBondContact O-N 3Å; E453-R456 PolarHBondContact O-N 2.95Å; E453-R456 IonicContact OE1-CZ 2.92Å; E453-R456 IonicContact OE1-NE 3.22Å; E453-R456 PolarHBondContact OE1-NE 3.04Å; E453-R456 IonicContact OE1-NH2 3.62Å; E453-R456 PolarHBondContact OE1-NH2 3.2Å; E453-R456 IonicContact OE2-CZ 3.39Å; E453-R456 IonicContact OE2-NE 2.67Å; E453-R456 PolarHBondContact OE2-NE 3.1Å; E453-R456 IonicContact OE2-NH2 3.13Å; E453-R456 PolarHBondContact OE2-NH2 3.2Å; R456-C458 VanDerWaalsContact C-N 3.33Å; R456-F459 PolarHBondContact O-N 2.77Å; R456-M460 VanDerWaalsContact O-CG 3.27Å; R456-M460 WeakPolarHBondContact O-CG 3.38Å; R456-M460 PolarHBondContact O-N 3.17Å; R456-L482 HydrophobicContact CB-CD1 3.92Å; R456-L482 HydrophobicContact CG-CD1 4.31Å |
| 457 | L | 85.1 | Confident | 83 | Confident | 98 Ų | 98 | 56.4 Ų | 56.4 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 176.8 | -71.6 | 172.8 | 0 | 0 | 0 | 111.6 | E453 M460 S461 | E453-L457 HydrophobicContact CG-CD1 4.22Å; E453-L457 HydrophobicContact CG-CG 4.43Å; E453-L457 WeakPolarHBondContact O-CB 3.48Å; E453-L457 VanDerWaalsContact O-CG 3.28Å; E453-L457 WeakPolarHBondContact O-CG 3.3Å; E453-L457 PolarHBondContact O-N 3.24Å; L457-M460 PolarHBondContact O-N 3.26Å; L457-S461 PolarHBondContact O-N 3.2Å; L457-S461 PolarHBondContact O-OG 2.98Å |
| 458 | C | 84.8 | Confident | 83.1 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 173.2 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | W403 E454 V455 R456 S461 A462 | W403-C458 HydrophobicContact CH2-CB 4.35Å; W403-C458 HydrophobicContact CZ2-CB 3.54Å; W403-C458 PolarHBondContact NE1-SG 2.65Å; W403-C458 VanDerWaalsContact NE1-SG 3.4Å; E454-C458 VanDerWaalsContact O-CB 3.3Å; E454-C458 WeakPolarHBondContact O-CB 3.28Å; E454-C458 PolarHBondContact O-N 3.33Å; V455-C458 PolarHBondContact O-N 2.95Å; R456-C458 VanDerWaalsContact C-N 3.33Å; C458-S461 PolarHBondContact O-N 3.27Å; C458-S461 PolarHBondContact O-OG 2.71Å; C458-A462 VanDerWaalsContact O-CB 3.28Å; C458-A462 WeakPolarHBondContact O-CB 3.38Å; C458-A462 PolarHBondContact O-N 3.18Å |
| 459 | F | 88.4 | Confident | 82.8 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 172.8 | 172.1 | -110.6 | 0 | 0 | 0 | 111.8 | V455 R456 S461 A462 R463 A479 L482 A508 T509 F512 | V455-F459 PolarHBondContact O-N 2.91Å; R456-F459 PolarHBondContact O-N 2.77Å; F459-S461 VanDerWaalsContact C-N 3.32Å; F459-S461 PolarHBondContact O-N 2.95Å; F459-A462 PolarHBondContact O-N 2.93Å; F459-R463 HydrophobicContact CE2-CB 4.37Å; F459-R463 HydrophobicContact CZ-CB 4.28Å; F459-R463 VanDerWaalsContact O-CB 3.26Å; F459-R463 WeakPolarHBondContact O-CB 3.44Å; F459-R463 PolarHBondContact O-N 2.99Å; F459-A479 HydrophobicContact CD2-CB 3.94Å; F459-A479 HydrophobicContact CE2-CB 3.64Å; F459-A479 HydrophobicContact CZ-CB 4.4Å; F459-L482 HydrophobicContact CB-CD2 4.07Å; F459-L482 HydrophobicContact CD1-CD2 3.65Å; F459-L482 HydrophobicContact CE1-CD2 4.38Å; F459-L482 HydrophobicContact CG-CD2 3.96Å; F459-A508 HydrophobicContact CE1-CB 4.06Å; F459-A508 WeakPolarHBondContact CZ-O 3.17Å; F459-T509 HydrophobicContact CD1-CG2 4.21Å; F459-T509 HydrophobicContact CE1-CG2 3.56Å; F459-T509 HydrophobicContact CE2-CG2 4.34Å; F459-T509 HydrophobicContact CZ-CG2 3.64Å; F459-F512 HydrophobicContact CE2-CD2 4.1Å; F459-F512 HydrophobicContact CE2-CE2 4.37Å; F459-F512 HydrophobicContact CZ-CD2 4.12Å; F459-F512 HydrophobicContact CZ-CE2 4.27Å |
| 460 | M | 85.8 | Confident | 82.4 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 178.2 | -71.1 | -64.7 | -72.9 | 0 | 0 | 112.2 | R456 L457 K464 | R456-M460 VanDerWaalsContact O-CG 3.27Å; R456-M460 WeakPolarHBondContact O-CG 3.38Å; R456-M460 PolarHBondContact O-N 3.17Å; L457-M460 PolarHBondContact O-N 3.26Å; M460-K464 WeakPolarHBondContact O-CB 3.49Å; M460-K464 VanDerWaalsContact O-CG 3.29Å; M460-K464 WeakPolarHBondContact O-CG 3.05Å; M460-K464 PolarHBondContact O-N 3.31Å; M460-K464 VanDerWaalsContact O-N 3.1Å |
| 461 | S | 83.3 | Confident | 82.3 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -71 | -43.3 | 172.6 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | L457 C458 F459 R463 K464 L465 | L457-S461 PolarHBondContact O-N 3.2Å; L457-S461 PolarHBondContact O-OG 2.98Å; C458-S461 PolarHBondContact O-N 3.27Å; C458-S461 PolarHBondContact O-OG 2.71Å; F459-S461 VanDerWaalsContact C-N 3.32Å; F459-S461 PolarHBondContact O-N 2.95Å; S461-R463 PolarHBondContact O-N 3.44Å; S461-K464 PolarHBondContact O-N 2.87Å; S461-L465 WeakPolarHBondContact O-CG 2.92Å; S461-L465 PolarHBondContact O-N 3.43Å |
| 462 | A | 84.3 | Confident | 82.4 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 2% | 0.017 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C458 F459 L465 Y466 L474 T478 | C458-A462 VanDerWaalsContact O-CB 3.28Å; C458-A462 WeakPolarHBondContact O-CB 3.38Å; C458-A462 PolarHBondContact O-N 3.18Å; F459-A462 PolarHBondContact O-N 2.93Å; A462-L465 PolarHBondContact O-N 3.29Å; A462-Y466 WeakPolarHBondContact O-CB 3.24Å; A462-Y466 PolarHBondContact O-N 2.76Å; A462-L474 HydrophobicContact CB-CD2 3.97Å; A462-L474 HydrophobicContact CB-CG 3.79Å; A462-T478 HydrophobicContact CB-CG2 4.11Å; A462-T478 WeakPolarHBondContact CB-OG1 3.43Å |
| 463 | R | 81.2 | Confident | 82.5 | Confident | 89 Ų | 89 | 70.3 Ų | 70.3 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 176.1 | -174.7 | -178.3 | 177.9 | -163.6 | 6 | 111.6 | F459 S461 Y466 A467 F512 | F459-R463 HydrophobicContact CE2-CB 4.37Å; F459-R463 HydrophobicContact CZ-CB 4.28Å; F459-R463 VanDerWaalsContact O-CB 3.26Å; F459-R463 WeakPolarHBondContact O-CB 3.44Å; F459-R463 PolarHBondContact O-N 2.99Å; S461-R463 PolarHBondContact O-N 3.44Å; R463-Y466 PolarHBondContact O-N 3.31Å; R463-A467 WeakPolarHBondContact O-CB 3.48Å; R463-A467 PolarHBondContact O-N 2.9Å; R463-F512 HydrophobicContact CG-CE2 4.45Å |
| 464 | K | 82.8 | Confident | 82.8 | Confident | 138 Ų | 138 | 68.4 Ų | 68.4 | 60% | 0.6 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 173.2 | -78.3 | 177 | 180 | -177.4 | 0 | 111.7 | M460 S461 A467 N468 | M460-K464 WeakPolarHBondContact O-CB 3.49Å; M460-K464 VanDerWaalsContact O-CG 3.29Å; M460-K464 WeakPolarHBondContact O-CG 3.05Å; M460-K464 PolarHBondContact O-N 3.31Å; M460-K464 VanDerWaalsContact O-N 3.1Å; S461-K464 PolarHBondContact O-N 2.87Å; K464-A467 PolarHBondContact O-N 3.4Å; K464-N468 VanDerWaalsContact O-CG 3.27Å; K464-N468 PolarHBondContact O-N 2.97Å |
| 465 | L | 81.2 | Confident | 83 | Confident | 88 Ų | 88 | 64.1 Ų | 64.1 | 46% | 0.461 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -46 | 175.3 | -73.1 | 170.5 | 0 | 0 | 0 | 111.1 | S461 A462 A467 N468 G469 G470 L474 | S461-L465 WeakPolarHBondContact O-CG 2.92Å; S461-L465 PolarHBondContact O-N 3.43Å; A462-L465 PolarHBondContact O-N 3.29Å; L465-A467 PolarHBondContact O-N 3.39Å; L465-N468 CarbonylContact O-C 3.47Å; L465-N468 WeakPolarHBondContact O-CA 3.22Å; L465-N468 PolarHBondContact O-N 2.86Å; L465-G469 PolarHBondContact O-N 3.31Å; L465-G470 WeakPolarHBondContact O-CA 3.45Å; L465-G470 PolarHBondContact O-N 3.29Å; L465-L474 HydrophobicContact CD1-CD2 4.12Å |
| 466 | Y | 83.2 | Confident | 83.1 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 39% | 0.388 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 174.4 | 175.1 | -108.7 | 0 | 0 | 0 | 112.4 | A462 R463 N468 G469 G470 Y472 A475 F512 | A462-Y466 WeakPolarHBondContact O-CB 3.24Å; A462-Y466 PolarHBondContact O-N 2.76Å; R463-Y466 PolarHBondContact O-N 3.31Å; Y466-N468 PolarHBondContact O-N 2.83Å; Y466-G469 PolarHBondContact O-N 3.07Å; Y466-G470 WeakPolarHBondContact CD2-O 3.48Å; Y466-Y472 HydrophobicContact CD2-CD2 4.4Å; Y466-Y472 AromaticContact CE2-CD2 3.75Å; Y466-Y472 HydrophobicContact CE2-CD2 3.75Å; Y466-Y472 HydrophobicContact CE2-CG 4.35Å; Y466-Y472 AromaticContact CZ-CD2 3.86Å; Y466-A475 HydrophobicContact CG-CB 4.45Å; Y466-F512 AromaticContact CD1-CE1 3.81Å; Y466-F512 HydrophobicContact CD1-CE1 3.81Å; Y466-F512 AromaticContact CD1-CZ 3.66Å; Y466-F512 HydrophobicContact CD1-CZ 3.66Å; Y466-F512 AromaticContact CE1-CE1 3.79Å; Y466-F512 HydrophobicContact CE1-CE1 3.79Å; Y466-F512 AromaticContact CE1-CZ 3.84Å; Y466-F512 HydrophobicContact CE1-CZ 3.84Å; Y466-F512 HydrophobicContact CG-CE1 4.38Å; Y466-F512 HydrophobicContact CG-CZ 4.49Å |
| 467 | A | 76.6 | Confident | 83.2 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 66% | 0.661 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.2 | -26.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R463 K464 L465 | R463-A467 WeakPolarHBondContact O-CB 3.48Å; R463-A467 PolarHBondContact O-N 2.9Å; K464-A467 PolarHBondContact O-N 3.4Å; L465-A467 PolarHBondContact O-N 3.39Å |
| 468 | N | 81.1 | Confident | 83.3 | Confident | 142 Ų | 142 | 56.9 Ų | 56.9 | 76% | 0.759 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 11.9 | 174.1 | -65.4 | -12.4 | 0 | 0 | 0 | 113.5 | K464 L465 Y466 | K464-N468 VanDerWaalsContact O-CG 3.27Å; K464-N468 PolarHBondContact O-N 2.97Å; L465-N468 CarbonylContact O-C 3.47Å; L465-N468 WeakPolarHBondContact O-CA 3.22Å; L465-N468 PolarHBondContact O-N 2.86Å; Y466-N468 PolarHBondContact O-N 2.83Å |
| 469 | G | 74.7 | Confident | 83.5 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 75% | 0.753 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | 13.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | L465 Y466 | L465-G469 PolarHBondContact O-N 3.31Å; Y466-G469 PolarHBondContact O-N 3.07Å |
| 470 | G | 78.4 | Confident | 83.6 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 24% | 0.237 | 32% | 0.322 | C | S | . | . | trans | -73.3 | 172.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L465 Y466 Y472 | L465-G470 WeakPolarHBondContact O-CA 3.45Å; L465-G470 PolarHBondContact O-N 3.29Å; Y466-G470 WeakPolarHBondContact CD2-O 3.48Å; G470-Y472 PolarHBondContact O-N 2.82Å | ||
| 471 | P | 81.3 | Confident | 83.8 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 42% | 0.416 | 31% | 0.306 | S | S | . | . | trans | -69.1 | 129.8 | -174 | 25.7 | -32.5 | 0 | 0 | 0 | 112.8 | V408 E473 L474 | V408-P471 HydrophobicContact CG1-CG 3.42Å; V408-P471 VanDerWaalsContact CG1-CG 3.42Å; P471-E473 VanDerWaalsContact C-N 3.25Å; P471-E473 PolarHBondContact O-N 3.47Å; P471-L474 HydrophobicContact CG-CB 4.21Å; P471-L474 WeakPolarHBondContact O-CB 3.47Å; P471-L474 PolarHBondContact O-N 3.48Å | ||
| 472 | Y | 84.5 | Confident | 84 | Confident | 115 Ų | 115 | 52.8 Ų | 52.8 | 45% | 0.451 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.5 | -37 | 178.3 | 178.9 | -110.2 | 0 | 0 | 0 | 112.8 | Y466 G470 L474 A475 V476 D511 F512 | Y466-Y472 HydrophobicContact CD2-CD2 4.4Å; Y466-Y472 AromaticContact CE2-CD2 3.75Å; Y466-Y472 HydrophobicContact CE2-CD2 3.75Å; Y466-Y472 HydrophobicContact CE2-CG 4.35Å; Y466-Y472 AromaticContact CZ-CD2 3.86Å; G470-Y472 PolarHBondContact O-N 2.82Å; Y472-L474 VanDerWaalsContact C-N 3.26Å; Y472-L474 PolarHBondContact O-N 3.36Å; Y472-A475 PolarHBondContact O-N 3.32Å; Y472-A475 VanDerWaalsContact O-N 3.17Å; Y472-V476 HydrophobicContact CD1-CG2 3.73Å; Y472-V476 HydrophobicContact CD2-CG2 4.28Å; Y472-V476 HydrophobicContact CE1-CG2 3.32Å; Y472-V476 HydrophobicContact CE2-CG2 3.91Å; Y472-V476 HydrophobicContact CG-CG2 4.19Å; Y472-V476 VanDerWaalsContact CZ-CG2 3.4Å; Y472-V476 WeakPolarHBondContact O-CG2 3.06Å; Y472-V476 PolarHBondContact O-N 2.93Å; Y472-D511 PolarHBondContact OH-O 3.18Å; Y472-F512 HydrophobicContact CD2-CD1 4.02Å; Y472-F512 AromaticContact CD2-CE1 3.91Å; Y472-F512 HydrophobicContact CD2-CE1 3.91Å; Y472-F512 AromaticContact CE2-CD1 3.47Å; Y472-F512 HydrophobicContact CE2-CD1 3.47Å; Y472-F512 VanDerWaalsContact CE2-CD1 3.47Å; Y472-F512 AromaticContact CE2-CE1 3.7Å; Y472-F512 HydrophobicContact CE2-CE1 3.7Å |
| 473 | E | 85.2 | Confident | 84.2 | Confident | 97 Ų | 97 | 52.7 Ų | 52.7 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.5 | -28.9 | -178.2 | -170.8 | 170.4 | -177.2 | 0 | 0 | 113.4 | I412 K416 P471 S477 | I412-E473 HydrophobicContact CD1-CB 4.21Å; I412-E473 HydrophobicContact CD1-CG 4.26Å; I412-E473 HydrophobicContact CG2-CG 4.22Å; K416-E473 WeakPolarHBondContact CE-OE1 3.48Å; K416-E473 IonicContact NZ-OE1 2.7Å; K416-E473 PolarHBondContact NZ-OE1 3.18Å; P471-E473 VanDerWaalsContact C-N 3.25Å; P471-E473 PolarHBondContact O-N 3.47Å; E473-S477 VanDerWaalsContact O-CB 3.25Å; E473-S477 WeakPolarHBondContact O-CB 3.23Å; E473-S477 PolarHBondContact O-N 3.41Å; E473-S477 PolarHBondContact O-OG 2.78Å |
| 474 | L | 86.1 | Confident | 84.6 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -47.5 | 174.4 | 179.4 | 66.6 | 0 | 0 | 0 | 110.9 | V408 T411 I412 A462 L465 P471 Y472 V476 S477 T478 | V408-L474 HydrophobicContact CG1-CB 4.01Å; V408-L474 HydrophobicContact CG1-CD1 4.23Å; V408-L474 HydrophobicContact CG1-CD2 3.88Å; V408-L474 HydrophobicContact CG1-CG 4.23Å; T411-L474 HydrophobicContact CG2-CD1 3.79Å; I412-L474 HydrophobicContact CD1-CB 4.28Å; I412-L474 HydrophobicContact CG1-CB 4.12Å; I412-L474 HydrophobicContact CG1-CD1 3.96Å; A462-L474 HydrophobicContact CB-CD2 3.97Å; A462-L474 HydrophobicContact CB-CG 3.79Å; L465-L474 HydrophobicContact CD1-CD2 4.12Å; P471-L474 HydrophobicContact CG-CB 4.21Å; P471-L474 WeakPolarHBondContact O-CB 3.47Å; P471-L474 PolarHBondContact O-N 3.48Å; Y472-L474 VanDerWaalsContact C-N 3.26Å; Y472-L474 PolarHBondContact O-N 3.36Å; L474-V476 VanDerWaalsContact C-N 3.35Å; L474-S477 PolarHBondContact O-N 2.72Å; L474-T478 HydrophobicContact CD1-CG2 4.21Å; L474-T478 WeakPolarHBondContact O-CB 3.47Å; L474-T478 WeakPolarHBondContact O-CG2 3.26Å; L474-T478 PolarHBondContact O-N 2.8Å; L474-T478 PolarHBondContact O-OG1 3.17Å |
| 475 | A | 85.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y466 Y472 T478 A479 F512 | Y466-A475 HydrophobicContact CG-CB 4.45Å; Y472-A475 PolarHBondContact O-N 3.32Å; Y472-A475 VanDerWaalsContact O-N 3.17Å; A475-T478 PolarHBondContact O-OG1 3.3Å; A475-A479 WeakPolarHBondContact O-CB 3.24Å; A475-A479 PolarHBondContact O-N 3.44Å; A475-F512 HydrophobicContact CB-CD1 3.78Å; A475-F512 HydrophobicContact CB-CE1 3.55Å; A475-F512 HydrophobicContact CB-CG 4.37Å; A475-F512 HydrophobicContact CB-CZ 3.96Å |
| 476 | V | 87.7 | Confident | 85 | Confident | 16 Ų | 16 | 38 Ų | 38 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -46.2 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | Y472 L474 A479 K480 F512 | Y472-V476 HydrophobicContact CD1-CG2 3.73Å; Y472-V476 HydrophobicContact CD2-CG2 4.28Å; Y472-V476 HydrophobicContact CE1-CG2 3.32Å; Y472-V476 HydrophobicContact CE2-CG2 3.91Å; Y472-V476 HydrophobicContact CG-CG2 4.19Å; Y472-V476 VanDerWaalsContact CZ-CG2 3.4Å; Y472-V476 WeakPolarHBondContact O-CG2 3.06Å; Y472-V476 PolarHBondContact O-N 2.93Å; L474-V476 VanDerWaalsContact C-N 3.35Å; V476-A479 PolarHBondContact O-N 3.18Å; V476-K480 HydrophobicContact CG1-CD 3.81Å; V476-K480 VanDerWaalsContact CG1-CE 3.47Å; V476-K480 HydrophobicContact CG1-CG 4.47Å; V476-K480 WeakPolarHBondContact O-CB 3.15Å; V476-K480 VanDerWaalsContact O-CG 3.25Å; V476-K480 WeakPolarHBondContact O-CG 3.47Å; V476-K480 PolarHBondContact O-N 3.47Å; V476-F512 HydrophobicContact CG2-CB 4.27Å; V476-F512 HydrophobicContact CG2-CD1 4.14Å |
| 477 | S | 85.4 | Confident | 85.1 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.8 | -41 | -177.6 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | E473 L474 L481 | E473-S477 VanDerWaalsContact O-CB 3.25Å; E473-S477 WeakPolarHBondContact O-CB 3.23Å; E473-S477 PolarHBondContact O-N 3.41Å; E473-S477 PolarHBondContact O-OG 2.78Å; L474-S477 PolarHBondContact O-N 2.72Å; S477-L481 WeakPolarHBondContact O-CB 3.15Å; S477-L481 PolarHBondContact O-N 2.96Å |
| 478 | T | 88.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.2 | -36.7 | 176 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | A462 L474 A475 L481 L482 | A462-T478 HydrophobicContact CB-CG2 4.11Å; A462-T478 WeakPolarHBondContact CB-OG1 3.43Å; L474-T478 HydrophobicContact CD1-CG2 4.21Å; L474-T478 WeakPolarHBondContact O-CB 3.47Å; L474-T478 WeakPolarHBondContact O-CG2 3.26Å; L474-T478 PolarHBondContact O-N 2.8Å; L474-T478 PolarHBondContact O-OG1 3.17Å; A475-T478 PolarHBondContact O-OG1 3.3Å; T478-L481 PolarHBondContact O-N 3.4Å; T478-L482 WeakPolarHBondContact O-CB 3.29Å; T478-L482 PolarHBondContact O-N 3.38Å |
| 479 | A | 88.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F459 A475 V476 L481 L482 V483 T509 F512 L513 | F459-A479 HydrophobicContact CD2-CB 3.94Å; F459-A479 HydrophobicContact CE2-CB 3.64Å; F459-A479 HydrophobicContact CZ-CB 4.4Å; A475-A479 WeakPolarHBondContact O-CB 3.24Å; A475-A479 PolarHBondContact O-N 3.44Å; V476-A479 PolarHBondContact O-N 3.18Å; A479-L481 VanDerWaalsContact C-N 3.32Å; A479-L481 PolarHBondContact O-N 3.19Å; A479-L482 WeakPolarHBondContact O-CB 3.33Å; A479-L482 PolarHBondContact O-N 2.89Å; A479-V483 WeakPolarHBondContact O-CG2 3.47Å; A479-V483 PolarHBondContact O-N 2.98Å; A479-T509 HydrophobicContact CB-CG2 4.39Å; A479-F512 HydrophobicContact CB-CB 3.8Å; A479-L513 HydrophobicContact CB-CD2 4.25Å |
| 480 | K | 89.9 | Confident | 85.9 | Confident | 62 Ų | 62 | 23.2 Ų | 23.2 | 27% | 0.27 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -62.7 | -39.7 | 176.7 | -75.3 | 172 | 179 | 172.8 | 0 | 111.6 | V476 S484 L517 | V476-K480 HydrophobicContact CG1-CD 3.81Å; V476-K480 VanDerWaalsContact CG1-CE 3.47Å; V476-K480 HydrophobicContact CG1-CG 4.47Å; V476-K480 WeakPolarHBondContact O-CB 3.15Å; V476-K480 VanDerWaalsContact O-CG 3.25Å; V476-K480 WeakPolarHBondContact O-CG 3.47Å; V476-K480 PolarHBondContact O-N 3.47Å; K480-S484 WeakPolarHBondContact O-CB 3.24Å; K480-S484 PolarHBondContact O-N 3.09Å; K480-S484 PolarHBondContact O-OG 3.49Å; K480-S484 VanDerWaalsContact O-OG 3.11Å; K480-L517 HydrophobicContact CG-CD1 4.14Å |
| 481 | L | 90.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 173.1 | 178.7 | 62.4 | 0 | 0 | 0 | 111.3 | L418 R419 V422 V455 S477 T478 A479 V483 S484 N485 | L418-L481 HydrophobicContact CB-CD1 3.85Å; L418-L481 HydrophobicContact CB-CD2 4.04Å; L418-L481 HydrophobicContact CD1-CD2 4.12Å; R419-L481 HydrophobicContact CB-CD1 3.98Å; V422-L481 HydrophobicContact CG2-CD1 4.29Å; V455-L481 HydrophobicContact CG1-CB 4.38Å; V455-L481 HydrophobicContact CG1-CD2 4.02Å; V455-L481 HydrophobicContact CG1-CG 3.76Å; V455-L481 HydrophobicContact CG2-CD2 4.44Å; S477-L481 WeakPolarHBondContact O-CB 3.15Å; S477-L481 PolarHBondContact O-N 2.96Å; T478-L481 PolarHBondContact O-N 3.4Å; A479-L481 VanDerWaalsContact C-N 3.32Å; A479-L481 PolarHBondContact O-N 3.19Å; L481-V483 PolarHBondContact O-N 3.43Å; L481-S484 PolarHBondContact O-N 3.01Å; L481-N485 WeakPolarHBondContact O-CB 3.07Å; L481-N485 PolarHBondContact O-N 3.25Å |
| 482 | L | 89.1 | Confident | 85.7 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.4 | -46.4 | 178.6 | -179.3 | 63.3 | 0 | 0 | 0 | 111.8 | F452 V455 R456 F459 T478 A479 N485 L486 I505 T509 | F452-L482 HydrophobicContact CD2-CD1 4.06Å; F452-L482 HydrophobicContact CE2-CD1 3.49Å; F452-L482 VanDerWaalsContact CE2-CD1 3.49Å; F452-L482 HydrophobicContact CE2-CG 4.38Å; F452-L482 HydrophobicContact CZ-CD1 3.86Å; V455-L482 HydrophobicContact CB-CD1 4.46Å; V455-L482 HydrophobicContact CG1-CB 4.03Å; V455-L482 HydrophobicContact CG1-CD1 4.06Å; R456-L482 HydrophobicContact CB-CD1 3.92Å; R456-L482 HydrophobicContact CG-CD1 4.31Å; F459-L482 HydrophobicContact CB-CD2 4.07Å; F459-L482 HydrophobicContact CD1-CD2 3.65Å; F459-L482 HydrophobicContact CE1-CD2 4.38Å; F459-L482 HydrophobicContact CG-CD2 3.96Å; T478-L482 WeakPolarHBondContact O-CB 3.29Å; T478-L482 PolarHBondContact O-N 3.38Å; A479-L482 WeakPolarHBondContact O-CB 3.33Å; A479-L482 PolarHBondContact O-N 2.89Å; L482-N485 PolarHBondContact O-N 2.82Å; L482-L486 WeakPolarHBondContact O-CB 3.47Å; L482-L486 PolarHBondContact O-N 3.42Å; L482-I505 HydrophobicContact CD2-CG2 4.39Å; L482-T509 HydrophobicContact CD2-CG2 4.01Å |
| 483 | V | 88.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.5 | -43.5 | 179.4 | 178.5 | 0 | 0 | 0 | 0 | 112 | A479 L481 N485 L486 L487 L513 L517 L521 | A479-V483 WeakPolarHBondContact O-CG2 3.47Å; A479-V483 PolarHBondContact O-N 2.98Å; L481-V483 PolarHBondContact O-N 3.43Å; V483-N485 VanDerWaalsContact C-N 3.28Å; V483-N485 PolarHBondContact O-N 2.87Å; V483-L486 WeakPolarHBondContact O-CB 2.99Å; V483-L486 PolarHBondContact O-N 3.46Å; V483-L487 HydrophobicContact CG1-CD1 4.14Å; V483-L487 WeakPolarHBondContact O-CG 3.39Å; V483-L487 PolarHBondContact O-N 3.27Å; V483-L513 HydrophobicContact CB-CD2 4.38Å; V483-L513 HydrophobicContact CG2-CD1 3.69Å; V483-L513 HydrophobicContact CG2-CD2 3.68Å; V483-L513 HydrophobicContact CG2-CG 4.32Å; V483-L517 HydrophobicContact CG1-CB 4.4Å; V483-L517 HydrophobicContact CG1-CD2 4.04Å; V483-L521 HydrophobicContact CG1-CD1 4.24Å; V483-L521 HydrophobicContact CG1-CD2 4.13Å; V483-L521 HydrophobicContact CG1-CG 4Å; V483-L521 HydrophobicContact CG2-CD1 3.89Å; V483-L521 HydrophobicContact CG2-CG 4.47Å |
| 484 | S | 88.5 | Confident | 84 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -37.2 | 176 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | R419 V422 K480 L481 L488 | R419-S484 PolarHBondContact NE-OG 3.33Å; V422-S484 WeakPolarHBondContact CG1-O 3.35Å; K480-S484 WeakPolarHBondContact O-CB 3.24Å; K480-S484 PolarHBondContact O-N 3.09Å; K480-S484 PolarHBondContact O-OG 3.49Å; K480-S484 VanDerWaalsContact O-OG 3.11Å; L481-S484 PolarHBondContact O-N 3.01Å; S484-L488 PolarHBondContact O-N 3.43Å; S484-L488 VanDerWaalsContact O-N 3.13Å |
| 485 | N | 88.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.9 | -41.6 | 175 | -167.5 | -79.2 | 0 | 0 | 0 | 110.8 | F452 L481 L482 V483 L487 L488 F489 | F452-N485 WeakPolarHBondContact CA-OD1 3.48Å; F452-N485 WeakPolarHBondContact CB-OD1 3.27Å; F452-N485 WeakPolarHBondContact CD2-OD1 3.42Å; L481-N485 WeakPolarHBondContact O-CB 3.07Å; L481-N485 PolarHBondContact O-N 3.25Å; L482-N485 PolarHBondContact O-N 2.82Å; V483-N485 VanDerWaalsContact C-N 3.28Å; V483-N485 PolarHBondContact O-N 2.87Å; N485-L487 VanDerWaalsContact C-N 3.33Å; N485-L487 PolarHBondContact O-N 2.66Å; N485-L488 PolarHBondContact O-N 3.4Å; N485-F489 WeakPolarHBondContact O-CB 3.47Å; N485-F489 WeakPolarHBondContact O-CD2 3.34Å; N485-F489 PolarHBondContact O-N 2.79Å; N485-F489 WeakPolarHBondContact OD1-CD2 3.35Å; N485-F489 WeakPolarHBondContact OD1-CE2 3.44Å |
| 486 | L | 84.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.5 | -47.3 | 172.9 | -169.1 | 149.9 | 0 | 0 | 0 | 112.1 | F452 L482 V483 F489 H490 F496 L497 V500 L502 I505 L521 L524 | F452-L486 HydrophobicContact CD2-CB 4.47Å; F452-L486 HydrophobicContact CE2-CB 3.76Å; F452-L486 HydrophobicContact CE2-CD1 4.11Å; F452-L486 HydrophobicContact CE2-CG 4.13Å; F452-L486 HydrophobicContact CZ-CD1 4.14Å; L482-L486 WeakPolarHBondContact O-CB 3.47Å; L482-L486 PolarHBondContact O-N 3.42Å; V483-L486 WeakPolarHBondContact O-CB 2.99Å; V483-L486 PolarHBondContact O-N 3.46Å; L486-F489 PolarHBondContact O-N 2.85Å; L486-H490 WeakPolarHBondContact O-CB 3.49Å; L486-H490 PolarHBondContact O-N 2.93Å; L486-F496 HydrophobicContact CG-CE1 4.21Å; L486-L497 HydrophobicContact CD2-CD2 4.08Å; L486-V500 HydrophobicContact CD1-CG1 4.02Å; L486-L502 HydrophobicContact CD1-CD2 3.88Å; L486-L502 HydrophobicContact CD2-CD2 4.15Å; L486-I505 HydrophobicContact CD1-CD1 3.94Å; L486-I505 HydrophobicContact CD1-CG2 4.25Å; L486-L521 HydrophobicContact CD1-CD2 4.14Å; L486-L521 HydrophobicContact CD2-CD2 4.13Å; L486-L524 HydrophobicContact CD2-CD1 3.43Å; L486-L524 VanDerWaalsContact CD2-CD1 3.43Å |
| 487 | L | 85.2 | Confident | 81.1 | Confident | 33 Ų | 33 | 28.4 Ų | 28.4 | 17% | 0.173 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | -179.7 | -70.3 | 165.9 | 0 | 0 | 0 | 112 | V483 N485 H490 R491 Q520 L524 | V483-L487 HydrophobicContact CG1-CD1 4.14Å; V483-L487 WeakPolarHBondContact O-CG 3.39Å; V483-L487 PolarHBondContact O-N 3.27Å; N485-L487 VanDerWaalsContact C-N 3.33Å; N485-L487 PolarHBondContact O-N 2.66Å; L487-H490 PolarHBondContact O-N 2.7Å; L487-R491 PolarHBondContact O-N 2.89Å; L487-R491 VanDerWaalsContact O-N 3.11Å; L487-Q520 VanDerWaalsContact CD1-OE1 3.29Å; L487-Q520 HydrophobicContact CD2-CB 4.46Å; L487-L524 HydrophobicContact CD2-CD1 3.85Å |
| 488 | L | 84.7 | Confident | 80 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -48 | 176.3 | 179.5 | 65.9 | 0 | 0 | 0 | 111.4 | V422 A425 D426 L429 L449 S484 N485 H490 R491 L492 | V422-L488 HydrophobicContact CB-CD2 4.43Å; V422-L488 HydrophobicContact CG1-CB 4.08Å; V422-L488 HydrophobicContact CG1-CD2 3.94Å; V422-L488 HydrophobicContact CG2-CD2 4.4Å; A425-L488 HydrophobicContact CB-CD1 4.13Å; A425-L488 HydrophobicContact CB-CD2 3.99Å; D426-L488 HydrophobicContact CB-CD1 4.12Å; L429-L488 HydrophobicContact CD1-CD1 3.51Å; L449-L488 HydrophobicContact CD1-CD2 3.66Å; S484-L488 PolarHBondContact O-N 3.43Å; S484-L488 VanDerWaalsContact O-N 3.13Å; N485-L488 PolarHBondContact O-N 3.4Å; L488-H490 PolarHBondContact O-N 3.33Å; L488-R491 PolarHBondContact O-N 3.11Å; L488-L492 HydrophobicContact CD1-CD1 4.36Å; L488-L492 HydrophobicContact CG-CD1 4.07Å; L488-L492 WeakPolarHBondContact O-CG 3.36Å; L488-L492 PolarHBondContact O-N 3.04Å |
| 489 | F | 83.5 | Confident | 78.4 | Confident | 16 Ų | 16 | 31.9 Ų | 31.9 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.5 | -37 | -179.2 | -84.1 | -113.7 | 0 | 0 | 0 | 112.2 | F446 F452 N485 L486 R491 L492 S493 F496 | F446-F489 HydrophobicContact CD1-CD1 4.31Å; F446-F489 AromaticContact CD1-CE1 3.78Å; F446-F489 HydrophobicContact CD1-CE1 3.78Å; F446-F489 HydrophobicContact CD1-CZ 4.08Å; F446-F489 AromaticContact CE1-CD1 3.53Å; F446-F489 HydrophobicContact CE1-CD1 3.53Å; F446-F489 AromaticContact CE1-CE1 3.46Å; F446-F489 HydrophobicContact CE1-CE1 3.46Å; F446-F489 VanDerWaalsContact CE1-CE1 3.46Å; F446-F489 HydrophobicContact CE1-CG 4.18Å; F446-F489 HydrophobicContact CE1-CZ 4.08Å; F446-F489 HydrophobicContact CZ-CD1 4.47Å; F452-F489 HydrophobicContact CB-CD1 4.13Å; F452-F489 HydrophobicContact CB-CE1 4.1Å; F452-F489 HydrophobicContact CB-CG 4.38Å; F452-F489 HydrophobicContact CB-CZ 4.29Å; N485-F489 WeakPolarHBondContact O-CB 3.47Å; N485-F489 WeakPolarHBondContact O-CD2 3.34Å; N485-F489 PolarHBondContact O-N 2.79Å; N485-F489 WeakPolarHBondContact OD1-CD2 3.35Å; N485-F489 WeakPolarHBondContact OD1-CE2 3.44Å; L486-F489 PolarHBondContact O-N 2.85Å; F489-R491 VanDerWaalsContact C-N 3.32Å; F489-R491 PolarHBondContact O-N 3.28Å; F489-L492 PolarHBondContact O-N 3.42Å; F489-S493 PolarHBondContact O-N 2.87Å; F489-F496 HydrophobicContact CB-CD1 3.81Å; F489-F496 HydrophobicContact CB-CD2 3.97Å; F489-F496 HydrophobicContact CB-CE1 3.59Å; F489-F496 HydrophobicContact CB-CE2 3.76Å; F489-F496 HydrophobicContact CB-CG 4Å; F489-F496 HydrophobicContact CB-CZ 3.57Å; F489-F496 HydrophobicContact CD1-CD2 4.33Å; F489-F496 AromaticContact CD1-CE2 3.84Å; F489-F496 HydrophobicContact CD1-CE2 3.84Å; F489-F496 HydrophobicContact CD1-CZ 4.23Å; F489-F496 HydrophobicContact CG-CE2 4.17Å; F489-F496 HydrophobicContact CG-CZ 4.16Å |
| 490 | H | 79.5 | Confident | 77.4 | Confident | 34 Ų | 34 | 32.2 Ų | 32.2 | 16% | 0.157 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 171.5 | 168 | 49.6 | 0 | 0 | 0 | 112.3 | L486 L487 L488 S493 F496 L497 Q527 | L486-H490 WeakPolarHBondContact O-CB 3.49Å; L486-H490 PolarHBondContact O-N 2.93Å; L487-H490 PolarHBondContact O-N 2.7Å; L488-H490 PolarHBondContact O-N 3.33Å; H490-S493 CarbonylContact O-C 3.55Å; H490-S493 VanDerWaalsContact O-C 3.22Å; H490-F496 HydrophobicContact CB-CD1 4.23Å; H490-L497 HydrophobicContact CB-CD2 4.05Å; H490-L497 HydrophobicContact CB-CG 4.16Å; H490-L497 WeakPolarHBondContact CE1-CD1 3.43Å; H490-L497 VanDerWaalsContact ND1-CD1 3.25Å; H490-L497 WeakPolarHBondContact ND1-CD1 3.49Å; H490-L497 VanDerWaalsContact ND1-CG 3.32Å; H490-L497 WeakPolarHBondContact ND1-CG 3.4Å; H490-Q527 PolarHBondContact CE1-OE1 2.56Å; H490-Q527 PolarHBondContact NE2-OE1 3.14Å; H490-Q527 VanDerWaalsContact NE2-OE1 3.13Å |
| 491 | R | 79.2 | Confident | 76.6 | Confident | 83 Ų | 83 | 32.8 Ų | 32.8 | 31% | 0.313 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -69 | -42.3 | 178.1 | -168.2 | 176.6 | -69.6 | 151.7 | 12.3 | 111.8 | D426 N430 F438 L487 L488 F489 S493 | D426-R491 PolarHBondContact O-NH1 3.34Å; D426-R491 IonicContact OD1-CZ 3.54Å; D426-R491 IonicContact OD1-NE 3.79Å; D426-R491 IonicContact OD1-NH1 3.44Å; D426-R491 PolarHBondContact OD1-NH1 2.91Å; D426-R491 IonicContact OD1-NH2 2.76Å; D426-R491 PolarHBondContact OD1-NH2 3.45Å; D426-R491 IonicContact OD2-CZ 3.31Å; D426-R491 IonicContact OD2-NH1 3.31Å; D426-R491 PolarHBondContact OD2-NH1 2.85Å; D426-R491 IonicContact OD2-NH2 3.38Å; D426-R491 PolarHBondContact OD2-NH2 2.99Å; D426-R491 VanDerWaalsContact OD2-NH2 3.13Å; N430-R491 PolarHBondContact ND2-NH1 3.21Å; N430-R491 PolarHBondContact OD1-NH1 3.02Å; F438-R491 HydrophobicContact CE2-CG 4.1Å; F438-R491 HydrophobicContact CZ-CG 3.96Å; F438-R491 WeakPolarHBondContact CZ-O 3.41Å; L487-R491 PolarHBondContact O-N 2.89Å; L487-R491 VanDerWaalsContact O-N 3.11Å; L488-R491 PolarHBondContact O-N 3.11Å; F489-R491 VanDerWaalsContact C-N 3.32Å; F489-R491 PolarHBondContact O-N 3.28Å; R491-S493 VanDerWaalsContact C-N 3.29Å; R491-S493 PolarHBondContact O-N 2.69Å |
| 492 | L | 77.9 | Confident | 76.1 | Confident | 27 Ų | 27 | 33 Ų | 33 | 14% | 0.141 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -31.5 | 178.4 | -72.4 | 171.6 | 0 | 0 | 0 | 112.8 | L429 F438 F446 L488 F489 | L429-L492 HydrophobicContact CD1-CD1 4.47Å; L429-L492 HydrophobicContact CD1-CD2 3.47Å; L429-L492 VanDerWaalsContact CD1-CD2 3.47Å; L429-L492 HydrophobicContact CD1-CG 3.85Å; L429-L492 HydrophobicContact CD2-CD2 4.08Å; L429-L492 HydrophobicContact CG-CD2 4.44Å; F438-L492 HydrophobicContact CE1-CD2 4.18Å; F438-L492 HydrophobicContact CZ-CD2 4.2Å; F446-L492 HydrophobicContact CD1-CD1 4.28Å; F446-L492 HydrophobicContact CD2-CD1 4.16Å; F446-L492 HydrophobicContact CE1-CB 4.35Å; F446-L492 HydrophobicContact CE1-CD1 3.87Å; F446-L492 HydrophobicContact CE2-CB 3.58Å; F446-L492 HydrophobicContact CE2-CD1 3.76Å; F446-L492 HydrophobicContact CE2-CD2 4.35Å; F446-L492 HydrophobicContact CE2-CG 4.11Å; F446-L492 HydrophobicContact CG-CD1 4.41Å; F446-L492 HydrophobicContact CZ-CB 3.38Å; F446-L492 HydrophobicContact CZ-CD1 3.61Å; F446-L492 HydrophobicContact CZ-CG 4.09Å; L488-L492 HydrophobicContact CD1-CD1 4.36Å; L488-L492 HydrophobicContact CG-CD1 4.07Å; L488-L492 WeakPolarHBondContact O-CG 3.36Å; L488-L492 PolarHBondContact O-N 3.04Å; F489-L492 PolarHBondContact O-N 3.42Å |
| 493 | S | 71 | Confident | 75.5 | Confident | 35 Ų | 35 | 33.1 Ų | 33.1 | 25% | 0.245 | 16% | 0.163 | C | C | . | . | trans | -137.6 | 111.7 | 179 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | F489 H490 R491 D495 F496 | F489-S493 PolarHBondContact O-N 2.87Å; H490-S493 CarbonylContact O-C 3.55Å; H490-S493 VanDerWaalsContact O-C 3.22Å; R491-S493 VanDerWaalsContact C-N 3.29Å; R491-S493 PolarHBondContact O-N 2.69Å; S493-D495 PolarHBondContact O-N 2.65Å; S493-D495 VanDerWaalsContact O-N 3.09Å; S493-F496 WeakPolarHBondContact O-CB 3.28Å; S493-F496 PolarHBondContact O-N 3.39Å | ||
| 494 | K | 62.6 | Low | 75 | Confident | 186 Ų | 186 | 38.2 Ų | 38.2 | 81% | 0.809 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.4 | 176 | -67.9 | -173.1 | 178.9 | -177.1 | 0 | 112.9 | ||
| 495 | D | 62.7 | Low | 74.7 | Confident | 97 Ų | 97 | 38.6 Ų | 38.6 | 52% | 0.519 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -4 | -177.6 | -60.6 | -34.1 | 0 | 0 | 0 | 113.1 | S493 L497 L498 N499 | S493-D495 PolarHBondContact O-N 2.65Å; S493-D495 VanDerWaalsContact O-N 3.09Å; D495-L497 PolarHBondContact O-N 3.36Å; D495-L498 HydrophobicContact CB-CD1 4.08Å; D495-L498 WeakPolarHBondContact O-CB 3.47Å; D495-L498 PolarHBondContact O-N 3.48Å; D495-N499 PolarHBondContact O-ND2 3.12Å |
| 496 | F | 70.1 | Confident | 74.4 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -58.9 | -44.9 | -177.8 | -179 | -107.7 | 0 | 0 | 0 | 112.6 | F452 L486 F489 H490 S493 L498 N499 V500 P1623 F1624 | F452-F496 HydrophobicContact CB-CE2 4.45Å; F452-F496 HydrophobicContact CB-CZ 4.12Å; F452-F496 HydrophobicContact CD1-CE2 4.42Å; F452-F496 AromaticContact CD1-CZ 3.84Å; F452-F496 HydrophobicContact CD1-CZ 3.84Å; F452-F496 AromaticContact CD2-CZ 3.86Å; F452-F496 HydrophobicContact CD2-CZ 3.86Å; F452-F496 HydrophobicContact CE1-CZ 4.14Å; F452-F496 HydrophobicContact CE2-CZ 4.19Å; F452-F496 HydrophobicContact CG-CE2 4.35Å; F452-F496 AromaticContact CG-CZ 3.66Å; F452-F496 HydrophobicContact CG-CZ 3.66Å; F452-F496 HydrophobicContact CZ-CZ 4.29Å; L486-F496 HydrophobicContact CG-CE1 4.21Å; F489-F496 HydrophobicContact CB-CD1 3.81Å; F489-F496 HydrophobicContact CB-CD2 3.97Å; F489-F496 HydrophobicContact CB-CE1 3.59Å; F489-F496 HydrophobicContact CB-CE2 3.76Å; F489-F496 HydrophobicContact CB-CG 4Å; F489-F496 HydrophobicContact CB-CZ 3.57Å; F489-F496 HydrophobicContact CD1-CD2 4.33Å; F489-F496 AromaticContact CD1-CE2 3.84Å; F489-F496 HydrophobicContact CD1-CE2 3.84Å; F489-F496 HydrophobicContact CD1-CZ 4.23Å; F489-F496 HydrophobicContact CG-CE2 4.17Å; F489-F496 HydrophobicContact CG-CZ 4.16Å; H490-F496 HydrophobicContact CB-CD1 4.23Å; S493-F496 WeakPolarHBondContact O-CB 3.28Å; S493-F496 PolarHBondContact O-N 3.39Å; F496-L498 PolarHBondContact O-N 3.06Å; F496-L498 VanDerWaalsContact O-N 3.17Å; F496-N499 PolarHBondContact O-N 3.42Å; F496-N499 VanDerWaalsContact O-N 3.1Å; F496-V500 HydrophobicContact CD1-CG2 4.11Å; F496-V500 HydrophobicContact CE1-CG2 3.67Å; F496-V500 HydrophobicContact CE2-CG2 4.23Å; F496-V500 HydrophobicContact CZ-CG2 3.73Å; F496-P1623 HydrophobicContact CD2-CB 4.36Å; F496-P1623 HydrophobicContact CD2-CG 4.41Å; F496-F1624 AromaticContact CE2-CE1 3.6Å; F496-F1624 HydrophobicContact CE2-CE1 3.6Å; F496-F1624 AromaticContact CE2-CZ 3.63Å; F496-F1624 HydrophobicContact CE2-CZ 3.63Å; F496-F1624 HydrophobicContact CZ-CE1 4.23Å; F496-F1624 HydrophobicContact CZ-CZ 4.14Å |
| 497 | L | 65.5 | Low | 74.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -65.3 | -19.2 | -179.4 | -63.6 | 179.7 | 0 | 0 | 0 | 113.8 | L486 H490 D495 N499 L502 L524 Q527 | L486-L497 HydrophobicContact CD2-CD2 4.08Å; H490-L497 HydrophobicContact CB-CD2 4.05Å; H490-L497 HydrophobicContact CB-CG 4.16Å; H490-L497 WeakPolarHBondContact CE1-CD1 3.43Å; H490-L497 VanDerWaalsContact ND1-CD1 3.25Å; H490-L497 WeakPolarHBondContact ND1-CD1 3.49Å; H490-L497 VanDerWaalsContact ND1-CG 3.32Å; H490-L497 WeakPolarHBondContact ND1-CG 3.4Å; D495-L497 PolarHBondContact O-N 3.36Å; L497-N499 PolarHBondContact O-N 3.16Å; L497-L502 HydrophobicContact CD2-CD1 4.25Å; L497-L502 HydrophobicContact CD2-CD2 4.14Å; L497-L524 HydrophobicContact CD1-CB 3.88Å; L497-L524 HydrophobicContact CD1-CD2 4.14Å; L497-L524 HydrophobicContact CD1-CG 4.42Å; L497-L524 HydrophobicContact CD2-CB 4.37Å; L497-L524 HydrophobicContact CD2-CD1 4.14Å; L497-Q527 HydrophobicContact CD1-CB 3.77Å |
| 498 | L | 61.4 | Low | 74 | Confident | 59 Ų | 59 | 39.1 Ų | 39.1 | 31% | 0.309 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -66.5 | -16.8 | 176.3 | -60.6 | 173.8 | 0 | 0 | 0 | 112.3 | D495 F496 S529 W1580 | D495-L498 HydrophobicContact CB-CD1 4.08Å; D495-L498 WeakPolarHBondContact O-CB 3.47Å; D495-L498 PolarHBondContact O-N 3.48Å; F496-L498 PolarHBondContact O-N 3.06Å; F496-L498 VanDerWaalsContact O-N 3.17Å; L498-S529 WeakPolarHBondContact O-CB 3.18Å; L498-S529 PolarHBondContact O-OG 2.87Å; L498-W1580 WeakPolarHBondContact O-CZ2 3.46Å |
| 499 | N | 54.4 | Low | 74 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 14% | 0.139 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -117.7 | -0.3 | -170.6 | -62.8 | -88 | 0 | 0 | 0 | 113.6 | D495 F496 L497 W1580 M1621 P1623 | D495-N499 PolarHBondContact O-ND2 3.12Å; F496-N499 PolarHBondContact O-N 3.42Å; F496-N499 VanDerWaalsContact O-N 3.1Å; L497-N499 PolarHBondContact O-N 3.16Å; N499-W1580 HydrophobicContact CB-CH2 4.39Å; N499-W1580 WeakPolarHBondContact OD1-CH2 3.33Å; N499-W1580 WeakPolarHBondContact OD1-CZ3 3.05Å; N499-M1621 PolarHBondContact OD1-O 3.34Å; N499-P1623 VanDerWaalsContact CB-CD 3.48Å; N499-P1623 HydrophobicContact CB-CG 3.36Å; N499-P1623 WeakPolarHBondContact ND2-CD 3.17Å; N499-P1623 WeakPolarHBondContact ND2-CG 3.23Å; N499-P1623 WeakPolarHBondContact OD1-CD 3.48Å |
| 500 | V | 67.5 | Low | 73.9 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -106.7 | 122.3 | 179.7 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | F452 L486 F496 L502 I505 F1624 | F452-V500 HydrophobicContact CE1-CG2 4.23Å; F452-V500 HydrophobicContact CZ-CG1 4.27Å; F452-V500 HydrophobicContact CZ-CG2 4.43Å; L486-V500 HydrophobicContact CD1-CG1 4.02Å; F496-V500 HydrophobicContact CD1-CG2 4.11Å; F496-V500 HydrophobicContact CE1-CG2 3.67Å; F496-V500 HydrophobicContact CE2-CG2 4.23Å; F496-V500 HydrophobicContact CZ-CG2 3.73Å; V500-L502 HydrophobicContact CG1-CD2 4.05Å; V500-L502 PolarHBondContact O-N 3.24Å; V500-I505 HydrophobicContact CG1-CD1 3.27Å; V500-I505 HydrophobicContact CG1-CG1 4.3Å; V500-F1624 HydrophobicContact CG2-CZ 4.4Å |
| 501 | D | 74.1 | Confident | 73.9 | Confident | 75 Ų | 75 | 42.1 Ų | 42.1 | 40% | 0.401 | 21% | 0.21 | S | C | . | . | trans | -71 | 81.3 | 169.4 | -172.1 | -17.5 | 0 | 0 | 0 | 108.5 | V503 Q504 I505 | D501-V503 PolarHBondContact O-N 3.23Å; D501-V503 WeakPolarHBondContact OD1-CB 3.3Å; D501-V503 PolarHBondContact OD1-N 3.34Å; D501-Q504 HydrophobicContact CB-CB 4.11Å; D501-Q504 PolarHBondContact O-N 3.1Å; D501-Q504 PolarHBondContact OD1-N 3.18Å; D501-Q504 WeakPolarHBondContact OD2-CG 3.43Å; D501-Q504 PolarHBondContact OD2-NE2 3.48Å; D501-I505 WeakPolarHBondContact O-CG1 3.24Å; D501-I505 PolarHBondContact O-N 3.47Å | ||
| 502 | L | 78.9 | Confident | 74.2 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.3 | -31.6 | 179 | -75.2 | -176.7 | 0 | 0 | 0 | 111.4 | L486 L497 V500 I505 F506 L524 I525 S528 V530 | L486-L502 HydrophobicContact CD1-CD2 3.88Å; L486-L502 HydrophobicContact CD2-CD2 4.15Å; L497-L502 HydrophobicContact CD2-CD1 4.25Å; L497-L502 HydrophobicContact CD2-CD2 4.14Å; V500-L502 HydrophobicContact CG1-CD2 4.05Å; V500-L502 PolarHBondContact O-N 3.24Å; L502-I505 PolarHBondContact O-N 3.29Å; L502-F506 VanDerWaalsContact O-CB 3.23Å; L502-F506 WeakPolarHBondContact O-CB 3.49Å; L502-F506 PolarHBondContact O-N 3.21Å; L502-L524 HydrophobicContact CD1-CB 3.85Å; L502-I525 HydrophobicContact CD1-CG1 4.42Å; L502-S528 VanDerWaalsContact CD1-CB 3.42Å; L502-V530 HydrophobicContact CB-CG2 4.33Å |
| 503 | V | 77.1 | Confident | 74.5 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -54.8 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 109.4 | D501 I505 F506 L507 V530 L535 L539 F545 | D501-V503 PolarHBondContact O-N 3.23Å; D501-V503 WeakPolarHBondContact OD1-CB 3.3Å; D501-V503 PolarHBondContact OD1-N 3.34Å; V503-I505 VanDerWaalsContact C-N 3.32Å; V503-I505 PolarHBondContact O-N 3.46Å; V503-F506 PolarHBondContact O-N 2.96Å; V503-L507 HydrophobicContact CG1-CD1 3.71Å; V503-L507 HydrophobicContact CG1-CG 4.25Å; V503-L507 WeakPolarHBondContact O-CB 3.14Å; V503-L507 WeakPolarHBondContact O-CG 3.4Å; V503-L507 PolarHBondContact O-N 3.32Å; V503-V530 HydrophobicContact CG2-CB 4.45Å; V503-V530 HydrophobicContact CG2-CG1 3.54Å; V503-V530 HydrophobicContact CG2-CG2 3.97Å; V503-L535 HydrophobicContact CG2-CD2 3.89Å; V503-L539 HydrophobicContact CG1-CD1 4.11Å; V503-F545 HydrophobicContact CG1-CB 4.03Å; V503-F545 HydrophobicContact CG1-CD2 4.35Å; V503-F545 HydrophobicContact CG2-CD2 4.35Å |
| 504 | Q | 77.8 | Confident | 75 | Confident | 108 Ų | 108 | 39.4 Ų | 39.4 | 51% | 0.505 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 177.3 | -83 | -173.9 | 40.7 | 0 | 0 | 113.2 | D501 A508 L539 | D501-Q504 HydrophobicContact CB-CB 4.11Å; D501-Q504 PolarHBondContact O-N 3.1Å; D501-Q504 PolarHBondContact OD1-N 3.18Å; D501-Q504 WeakPolarHBondContact OD2-CG 3.43Å; D501-Q504 PolarHBondContact OD2-NE2 3.48Å; Q504-A508 WeakPolarHBondContact O-CB 3.41Å; Q504-A508 PolarHBondContact O-N 3.48Å; Q504-L539 HydrophobicContact CG-CD1 4.44Å |
| 505 | I | 81.2 | Confident | 75.8 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.6 | -45.3 | 178.3 | -67.4 | -173.3 | 0 | 0 | 0 | 110.7 | F452 L482 L486 V500 D501 L502 V503 A508 T509 | F452-I505 HydrophobicContact CE1-CD1 4.35Å; F452-I505 HydrophobicContact CZ-CD1 3.64Å; L482-I505 HydrophobicContact CD2-CG2 4.39Å; L486-I505 HydrophobicContact CD1-CD1 3.94Å; L486-I505 HydrophobicContact CD1-CG2 4.25Å; V500-I505 HydrophobicContact CG1-CD1 3.27Å; V500-I505 HydrophobicContact CG1-CG1 4.3Å; D501-I505 WeakPolarHBondContact O-CG1 3.24Å; D501-I505 PolarHBondContact O-N 3.47Å; L502-I505 PolarHBondContact O-N 3.29Å; V503-I505 VanDerWaalsContact C-N 3.32Å; V503-I505 PolarHBondContact O-N 3.46Å; I505-A508 PolarHBondContact O-N 3.46Å; I505-T509 HydrophobicContact CG2-CG2 4.23Å; I505-T509 WeakPolarHBondContact O-CB 3.49Å; I505-T509 WeakPolarHBondContact O-CG2 3.49Å; I505-T509 PolarHBondContact O-N 3.17Å; I505-T509 PolarHBondContact O-OG1 3.05Å |
| 506 | F | 82.6 | Confident | 76.4 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.7 | -54.9 | 175.9 | -176.7 | -90.7 | 0 | 0 | 0 | 110.3 | L502 V503 A508 T509 E510 K518 L521 I522 F545 | L502-F506 VanDerWaalsContact O-CB 3.23Å; L502-F506 WeakPolarHBondContact O-CB 3.49Å; L502-F506 PolarHBondContact O-N 3.21Å; V503-F506 PolarHBondContact O-N 2.96Å; F506-A508 PolarHBondContact O-N 3.5Å; F506-A508 VanDerWaalsContact O-N 3.13Å; F506-T509 PolarHBondContact O-N 3.06Å; F506-T509 VanDerWaalsContact O-N 3.1Å; F506-E510 HydrophobicContact CE1-CB 4.44Å; F506-E510 HydrophobicContact CE1-CG 4.13Å; F506-E510 HydrophobicContact CZ-CG 4.21Å; F506-E510 VanDerWaalsContact O-CB 3.29Å; F506-E510 WeakPolarHBondContact O-CB 3.24Å; F506-E510 PolarHBondContact O-N 3.36Å; F506-K518 HydrophobicContact CE2-CB 4.2Å; F506-K518 HydrophobicContact CE2-CG 4.49Å; F506-L521 HydrophobicContact CD2-CB 4.24Å; F506-L521 HydrophobicContact CD2-CD1 4.31Å; F506-I522 HydrophobicContact CD2-CG1 4.44Å; F506-I522 HydrophobicContact CE2-CD1 4.08Å; F506-I522 HydrophobicContact CE2-CG1 3.83Å; F506-I522 HydrophobicContact CZ-CD1 4.31Å; F506-I522 HydrophobicContact CZ-CG1 4.39Å; F506-F545 HydrophobicContact CB-CD2 4.26Å; F506-F545 HydrophobicContact CB-CE2 3.84Å; F506-F545 AromaticContact CD1-CD2 3.69Å; F506-F545 HydrophobicContact CD1-CD2 3.69Å; F506-F545 AromaticContact CD1-CE2 3.4Å; F506-F545 HydrophobicContact CD1-CE2 3.4Å; F506-F545 HydrophobicContact CD1-CZ 4.32Å; F506-F545 HydrophobicContact CD2-CE2 4.11Å; F506-F545 HydrophobicContact CE1-CD2 4.32Å; F506-F545 AromaticContact CE1-CE2 3.92Å; F506-F545 HydrophobicContact CE1-CE2 3.92Å; F506-F545 HydrophobicContact CE1-CZ 4.45Å; F506-F545 HydrophobicContact CG-CD2 4.13Å; F506-F545 AromaticContact CG-CE2 3.51Å; F506-F545 HydrophobicContact CG-CE2 3.51Å; F506-F545 HydrophobicContact CG-CZ 4.45Å; F506-F545 HydrophobicContact CZ-CE2 4.46Å |
| 507 | L | 80.7 | Confident | 77 | Confident | 29 Ų | 29 | 30.3 Ų | 30.3 | 15% | 0.152 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -28.7 | 179 | -60.2 | 172.7 | 0 | 0 | 0 | 112.9 | V503 L539 F545 Q548 | V503-L507 HydrophobicContact CG1-CD1 3.71Å; V503-L507 HydrophobicContact CG1-CG 4.25Å; V503-L507 WeakPolarHBondContact O-CB 3.14Å; V503-L507 WeakPolarHBondContact O-CG 3.4Å; V503-L507 PolarHBondContact O-N 3.32Å; L507-L539 HydrophobicContact CD1-CD1 3.46Å; L507-L539 VanDerWaalsContact CD1-CD1 3.46Å; L507-F545 HydrophobicContact CD2-CB 4.48Å; L507-Q548 HydrophobicContact CD2-CG 4.43Å |
| 508 | A | 82 | Confident | 77.8 | Confident | 12 Ų | 12 | 32 Ų | 32 | 10% | 0.099 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -81.7 | -30.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F459 Q504 I505 F506 | F459-A508 HydrophobicContact CE1-CB 4.06Å; F459-A508 WeakPolarHBondContact CZ-O 3.17Å; Q504-A508 WeakPolarHBondContact O-CB 3.41Å; Q504-A508 PolarHBondContact O-N 3.48Å; I505-A508 PolarHBondContact O-N 3.46Å; F506-A508 PolarHBondContact O-N 3.5Å; F506-A508 VanDerWaalsContact O-N 3.13Å |
| 509 | T | 83.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -105.9 | -17.5 | -172 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | F459 A479 L482 I505 F506 D511 F512 L513 | F459-T509 HydrophobicContact CD1-CG2 4.21Å; F459-T509 HydrophobicContact CE1-CG2 3.56Å; F459-T509 HydrophobicContact CE2-CG2 4.34Å; F459-T509 HydrophobicContact CZ-CG2 3.64Å; A479-T509 HydrophobicContact CB-CG2 4.39Å; L482-T509 HydrophobicContact CD2-CG2 4.01Å; I505-T509 HydrophobicContact CG2-CG2 4.23Å; I505-T509 WeakPolarHBondContact O-CB 3.49Å; I505-T509 WeakPolarHBondContact O-CG2 3.49Å; I505-T509 PolarHBondContact O-N 3.17Å; I505-T509 PolarHBondContact O-OG1 3.05Å; F506-T509 PolarHBondContact O-N 3.06Å; F506-T509 VanDerWaalsContact O-N 3.1Å; T509-D511 PolarHBondContact O-N 2.68Å; T509-D511 VanDerWaalsContact O-N 3.08Å; T509-F512 PolarHBondContact O-N 2.82Å; T509-L513 WeakPolarHBondContact O-CG 3.47Å; T509-L513 PolarHBondContact O-N 2.89Å; T509-L513 VanDerWaalsContact OG1-CD1 3.28Å; T509-L513 WeakPolarHBondContact OG1-CD1 3.19Å |
| 510 | E | 81.1 | Confident | 79.9 | Confident | 16 Ų | 16 | 33.7 Ų | 33.7 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -47.3 | -43.7 | -172.6 | -172.5 | -166.2 | 165.2 | 0 | 0 | 113.7 | F506 F512 K518 Q548 | F506-E510 HydrophobicContact CE1-CB 4.44Å; F506-E510 HydrophobicContact CE1-CG 4.13Å; F506-E510 HydrophobicContact CZ-CG 4.21Å; F506-E510 VanDerWaalsContact O-CB 3.29Å; F506-E510 WeakPolarHBondContact O-CB 3.24Å; F506-E510 PolarHBondContact O-N 3.36Å; E510-F512 PolarHBondContact O-N 2.92Å; E510-K518 HydrophobicContact CG-CD 4.33Å; E510-K518 WeakPolarHBondContact O-CE 3.23Å; E510-K518 PolarHBondContact O-NZ 3.22Å; E510-K518 IonicContact OE1-NZ 3.86Å; E510-Q548 PolarHBondContact OE2-NE2 2.85Å; E510-Q548 PolarHBondContact OE2-OE1 3Å |
| 511 | D | 80 | Confident | 80.5 | Confident | 98 Ų | 98 | 33.7 Ų | 33.7 | 52% | 0.524 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -66 | -20.5 | -177.9 | -62.2 | -30.4 | 0 | 0 | 0 | 113.2 | Y472 T509 | Y472-D511 PolarHBondContact OH-O 3.18Å; T509-D511 PolarHBondContact O-N 2.68Å; T509-D511 VanDerWaalsContact O-N 3.08Å |
| 512 | F | 85.4 | Confident | 80.7 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 4% | 0.044 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -108.3 | -4.5 | -173.2 | -52.6 | -73.2 | 0 | 0 | 0 | 113.9 | F459 R463 Y466 Y472 A475 V476 A479 T509 E510 | F459-F512 HydrophobicContact CE2-CD2 4.1Å; F459-F512 HydrophobicContact CE2-CE2 4.37Å; F459-F512 HydrophobicContact CZ-CD2 4.12Å; F459-F512 HydrophobicContact CZ-CE2 4.27Å; R463-F512 HydrophobicContact CG-CE2 4.45Å; Y466-F512 AromaticContact CD1-CE1 3.81Å; Y466-F512 HydrophobicContact CD1-CE1 3.81Å; Y466-F512 AromaticContact CD1-CZ 3.66Å; Y466-F512 HydrophobicContact CD1-CZ 3.66Å; Y466-F512 AromaticContact CE1-CE1 3.79Å; Y466-F512 HydrophobicContact CE1-CE1 3.79Å; Y466-F512 AromaticContact CE1-CZ 3.84Å; Y466-F512 HydrophobicContact CE1-CZ 3.84Å; Y466-F512 HydrophobicContact CG-CE1 4.38Å; Y466-F512 HydrophobicContact CG-CZ 4.49Å; Y472-F512 HydrophobicContact CD2-CD1 4.02Å; Y472-F512 AromaticContact CD2-CE1 3.91Å; Y472-F512 HydrophobicContact CD2-CE1 3.91Å; Y472-F512 AromaticContact CE2-CD1 3.47Å; Y472-F512 HydrophobicContact CE2-CD1 3.47Å; Y472-F512 VanDerWaalsContact CE2-CD1 3.47Å; Y472-F512 AromaticContact CE2-CE1 3.7Å; Y472-F512 HydrophobicContact CE2-CE1 3.7Å; A475-F512 HydrophobicContact CB-CD1 3.78Å; A475-F512 HydrophobicContact CB-CE1 3.55Å; A475-F512 HydrophobicContact CB-CG 4.37Å; A475-F512 HydrophobicContact CB-CZ 3.96Å; V476-F512 HydrophobicContact CG2-CB 4.27Å; V476-F512 HydrophobicContact CG2-CD1 4.14Å; A479-F512 HydrophobicContact CB-CB 3.8Å; T509-F512 PolarHBondContact O-N 2.82Å; E510-F512 PolarHBondContact O-N 2.92Å |
| 513 | L | 85.6 | Confident | 80.6 | Confident | 15 Ų | 15 | 32.4 Ų | 32.4 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -104.7 | 146.5 | -172.8 | -64.7 | 176 | 0 | 0 | 0 | 113 | A479 V483 T509 L517 K518 L521 | A479-L513 HydrophobicContact CB-CD2 4.25Å; V483-L513 HydrophobicContact CB-CD2 4.38Å; V483-L513 HydrophobicContact CG2-CD1 3.69Å; V483-L513 HydrophobicContact CG2-CD2 3.68Å; V483-L513 HydrophobicContact CG2-CG 4.32Å; T509-L513 WeakPolarHBondContact O-CG 3.47Å; T509-L513 PolarHBondContact O-N 2.89Å; T509-L513 VanDerWaalsContact OG1-CD1 3.28Å; T509-L513 WeakPolarHBondContact OG1-CD1 3.19Å; L513-L517 HydrophobicContact CB-CB 4.33Å; L513-L517 HydrophobicContact CD2-CB 4.33Å; L513-L517 HydrophobicContact CD2-CD1 3.9Å; L513-K518 HydrophobicContact CB-CG 4.17Å; L513-K518 WeakPolarHBondContact O-CE 3.34Å; L513-L521 HydrophobicContact CD1-CD1 3.59Å |
| 514 | S | 81.3 | Confident | 80.7 | Confident | 63 Ų | 63 | 32.6 Ų | 32.6 | 44% | 0.441 | 19% | 0.185 | S | C | . | . | trans | -74.7 | 155.8 | 169.5 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | G516 L517 K518 | S514-G516 VanDerWaalsContact C-N 3.29Å; S514-G516 PolarHBondContact O-N 3.31Å; S514-L517 PolarHBondContact O-N 2.79Å; S514-K518 PolarHBondContact O-N 3.4Å; S514-K518 VanDerWaalsContact O-N 3.08Å | ||
| 515 | M | 78.1 | Confident | 80.7 | Confident | 38 Ų | 38 | 27.6 Ų | 27.6 | 19% | 0.187 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.3 | -42.7 | -177.5 | -169.7 | 58 | 168.1 | 0 | 0 | 113.1 | L517 K518 L519 C552 E560 L564 | M515-L517 VanDerWaalsContact C-N 3.31Å; M515-L517 PolarHBondContact O-N 3.49Å; M515-K518 WeakPolarHBondContact O-CB 3.33Å; M515-K518 PolarHBondContact O-N 3.37Å; M515-K518 VanDerWaalsContact O-N 3.08Å; M515-K518 HydrophobicContact SD-CD 4.42Å; M515-L519 HydrophobicContact CE-CD2 4.34Å; M515-L519 HydrophobicContact CE-CG 4.38Å; M515-L519 HydrophobicContact CG-CD1 4.33Å; M515-L519 PolarHBondContact O-N 3.32Å; M515-C552 HydrophobicContact CE-CB 4.45Å; M515-E560 HydrophobicContact CG-CG 4.48Å; M515-L564 HydrophobicContact CE-CD1 3.5Å |
| 516 | G | 76.4 | Confident | 80 | Confident | 43 Ų | 43 | 29 Ų | 29 | 44% | 0.443 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.1 | -37 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S514 Q520 | S514-G516 VanDerWaalsContact C-N 3.29Å; S514-G516 PolarHBondContact O-N 3.31Å; G516-Q520 WeakPolarHBondContact O-CG 2.9Å; G516-Q520 PolarHBondContact O-N 3.21Å; G516-Q520 VanDerWaalsContact O-N 3.13Å |
| 517 | L | 82 | Confident | 79.3 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.7 | -32.7 | 175.9 | -69.7 | 175.6 | 0 | 0 | 0 | 111.7 | K480 V483 L513 S514 M515 L521 | K480-L517 HydrophobicContact CG-CD1 4.14Å; V483-L517 HydrophobicContact CG1-CB 4.4Å; V483-L517 HydrophobicContact CG1-CD2 4.04Å; L513-L517 HydrophobicContact CB-CB 4.33Å; L513-L517 HydrophobicContact CD2-CB 4.33Å; L513-L517 HydrophobicContact CD2-CD1 3.9Å; S514-L517 PolarHBondContact O-N 2.79Å; M515-L517 VanDerWaalsContact C-N 3.31Å; M515-L517 PolarHBondContact O-N 3.49Å; L517-L521 PolarHBondContact O-N 2.98Å |
| 518 | K | 82.7 | Confident | 78.8 | Confident | 34 Ų | 34 | 33.1 Ų | 33.1 | 15% | 0.148 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.4 | -49.5 | 173 | -64.4 | -174.4 | -179 | -165.7 | 0 | 110.9 | F506 E510 L513 S514 M515 Q520 L521 I522 | F506-K518 HydrophobicContact CE2-CB 4.2Å; F506-K518 HydrophobicContact CE2-CG 4.49Å; E510-K518 HydrophobicContact CG-CD 4.33Å; E510-K518 WeakPolarHBondContact O-CE 3.23Å; E510-K518 PolarHBondContact O-NZ 3.22Å; E510-K518 IonicContact OE1-NZ 3.86Å; L513-K518 HydrophobicContact CB-CG 4.17Å; L513-K518 WeakPolarHBondContact O-CE 3.34Å; S514-K518 PolarHBondContact O-N 3.4Å; S514-K518 VanDerWaalsContact O-N 3.08Å; M515-K518 WeakPolarHBondContact O-CB 3.33Å; M515-K518 PolarHBondContact O-N 3.37Å; M515-K518 VanDerWaalsContact O-N 3.08Å; M515-K518 HydrophobicContact SD-CD 4.42Å; K518-Q520 VanDerWaalsContact C-N 3.34Å; K518-Q520 PolarHBondContact O-N 3.4Å; K518-L521 PolarHBondContact O-N 3.47Å; K518-I522 VanDerWaalsContact O-CG1 3.26Å; K518-I522 WeakPolarHBondContact O-CG1 3.49Å; K518-I522 PolarHBondContact O-N 3.04Å |
| 519 | L | 78.5 | Confident | 77.7 | Confident | 32 Ų | 32 | 33.7 Ų | 33.7 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 178.1 | -70.4 | 174.3 | 0 | 0 | 0 | 112 | M515 L521 I522 S523 L564 | M515-L519 HydrophobicContact CE-CD2 4.34Å; M515-L519 HydrophobicContact CE-CG 4.38Å; M515-L519 HydrophobicContact CG-CD1 4.33Å; M515-L519 PolarHBondContact O-N 3.32Å; L519-L521 PolarHBondContact O-N 3.49Å; L519-I522 PolarHBondContact O-N 2.88Å; L519-S523 WeakPolarHBondContact O-CB 3.32Å; L519-S523 PolarHBondContact O-N 2.99Å; L519-L564 HydrophobicContact CD2-CB 4.39Å; L519-L564 HydrophobicContact CD2-CD1 4.25Å; L519-L564 HydrophobicContact CD2-CG 4.29Å |
| 520 | Q | 80.6 | Confident | 76.8 | Confident | 90 Ų | 90 | 34.5 Ų | 34.5 | 42% | 0.421 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 173.3 | -77.5 | 178.8 | -8.9 | 0 | 0 | 111.6 | L487 G516 K518 S523 L524 | L487-Q520 VanDerWaalsContact CD1-OE1 3.29Å; L487-Q520 HydrophobicContact CD2-CB 4.46Å; G516-Q520 WeakPolarHBondContact O-CG 2.9Å; G516-Q520 PolarHBondContact O-N 3.21Å; G516-Q520 VanDerWaalsContact O-N 3.13Å; K518-Q520 VanDerWaalsContact C-N 3.34Å; K518-Q520 PolarHBondContact O-N 3.4Å; Q520-S523 PolarHBondContact O-N 3.41Å; Q520-S523 PolarHBondContact O-OG 3.33Å; Q520-L524 WeakPolarHBondContact O-CG 3.44Å |
| 521 | L | 81.3 | Confident | 75.9 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -43 | 175.6 | -76.7 | 171.4 | 0 | 0 | 0 | 113 | V483 L486 F506 L513 L517 K518 L519 S523 L524 | V483-L521 HydrophobicContact CG1-CD1 4.24Å; V483-L521 HydrophobicContact CG1-CD2 4.13Å; V483-L521 HydrophobicContact CG1-CG 4Å; V483-L521 HydrophobicContact CG2-CD1 3.89Å; V483-L521 HydrophobicContact CG2-CG 4.47Å; L486-L521 HydrophobicContact CD1-CD2 4.14Å; L486-L521 HydrophobicContact CD2-CD2 4.13Å; F506-L521 HydrophobicContact CD2-CB 4.24Å; F506-L521 HydrophobicContact CD2-CD1 4.31Å; L513-L521 HydrophobicContact CD1-CD1 3.59Å; L517-L521 PolarHBondContact O-N 2.98Å; K518-L521 PolarHBondContact O-N 3.47Å; L519-L521 PolarHBondContact O-N 3.49Å; L521-S523 VanDerWaalsContact C-N 3.3Å; L521-S523 PolarHBondContact O-N 2.89Å; L521-L524 WeakPolarHBondContact O-CB 3.37Å; L521-L524 PolarHBondContact O-N 3.24Å; L521-L524 VanDerWaalsContact O-N 3.15Å |
| 522 | I | 77.8 | Confident | 75.1 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 179.4 | -62.9 | 164.7 | 0 | 0 | 0 | 110.1 | F506 K518 L519 L524 I525 F545 L549 A567 M571 | F506-I522 HydrophobicContact CD2-CG1 4.44Å; F506-I522 HydrophobicContact CE2-CD1 4.08Å; F506-I522 HydrophobicContact CE2-CG1 3.83Å; F506-I522 HydrophobicContact CZ-CD1 4.31Å; F506-I522 HydrophobicContact CZ-CG1 4.39Å; K518-I522 VanDerWaalsContact O-CG1 3.26Å; K518-I522 WeakPolarHBondContact O-CG1 3.49Å; K518-I522 PolarHBondContact O-N 3.04Å; L519-I522 PolarHBondContact O-N 2.88Å; I522-L524 PolarHBondContact O-N 3.47Å; I522-L524 VanDerWaalsContact O-N 3.11Å; I522-I525 HydrophobicContact CG2-CD1 4.34Å; I522-I525 WeakPolarHBondContact O-CB 3.42Å; I522-I525 WeakPolarHBondContact O-CG1 3.49Å; I522-I525 PolarHBondContact O-N 3.35Å; I522-F545 HydrophobicContact CG1-CZ 4.32Å; I522-L549 HydrophobicContact CD1-CD1 3.96Å; I522-L549 HydrophobicContact CG1-CD1 4.27Å; I522-L549 HydrophobicContact CG2-CD1 3.97Å; I522-A567 HydrophobicContact CG2-CB 3.75Å; I522-M571 HydrophobicContact CG2-SD 3.91Å |
| 523 | S | 77.4 | Confident | 74.1 | Confident | 51 Ų | 51 | 35.7 Ų | 35.7 | 36% | 0.357 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.8 | -18.6 | 177.8 | 77.2 | 0 | 0 | 0 | 0 | 114.5 | L519 Q520 L521 P526 | L519-S523 WeakPolarHBondContact O-CB 3.32Å; L519-S523 PolarHBondContact O-N 2.99Å; Q520-S523 PolarHBondContact O-N 3.41Å; Q520-S523 PolarHBondContact O-OG 3.33Å; L521-S523 VanDerWaalsContact C-N 3.3Å; L521-S523 PolarHBondContact O-N 2.89Å; S523-P526 WeakPolarHBondContact O-CD 3.36Å |
| 524 | L | 79.5 | Confident | 73.2 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -16.1 | 177.2 | -59 | 176.7 | 0 | 0 | 0 | 113.1 | L486 L487 L497 L502 Q520 L521 I522 Q527 S528 | L486-L524 HydrophobicContact CD2-CD1 3.43Å; L486-L524 VanDerWaalsContact CD2-CD1 3.43Å; L487-L524 HydrophobicContact CD2-CD1 3.85Å; L497-L524 HydrophobicContact CD1-CB 3.88Å; L497-L524 HydrophobicContact CD1-CD2 4.14Å; L497-L524 HydrophobicContact CD1-CG 4.42Å; L497-L524 HydrophobicContact CD2-CB 4.37Å; L497-L524 HydrophobicContact CD2-CD1 4.14Å; L502-L524 HydrophobicContact CD1-CB 3.85Å; Q520-L524 WeakPolarHBondContact O-CG 3.44Å; L521-L524 WeakPolarHBondContact O-CB 3.37Å; L521-L524 PolarHBondContact O-N 3.24Å; L521-L524 VanDerWaalsContact O-N 3.15Å; I522-L524 PolarHBondContact O-N 3.47Å; I522-L524 VanDerWaalsContact O-N 3.11Å; L524-Q527 CarbonylContact O-C 3.57Å; L524-Q527 PolarHBondContact O-N 3.18Å; L524-S528 PolarHBondContact O-N 3.22Å |
| 525 | I | 76.1 | Confident | 72.6 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -58.5 | -45.4 | -177 | -64.5 | 172.8 | 0 | 0 | 0 | 112.3 | L502 I522 Q527 S528 L535 F545 M571 | L502-I525 HydrophobicContact CD1-CG1 4.42Å; I522-I525 HydrophobicContact CG2-CD1 4.34Å; I522-I525 WeakPolarHBondContact O-CB 3.42Å; I522-I525 WeakPolarHBondContact O-CG1 3.49Å; I522-I525 PolarHBondContact O-N 3.35Å; I525-Q527 PolarHBondContact O-N 3.19Å; I525-Q527 VanDerWaalsContact O-N 3.12Å; I525-S528 WeakPolarHBondContact O-CB 3.21Å; I525-S528 PolarHBondContact O-N 3.43Å; I525-S528 PolarHBondContact O-OG 3.24Å; I525-L535 HydrophobicContact CD1-CD2 4.38Å; I525-L535 HydrophobicContact CG2-CD1 4.25Å; I525-L535 HydrophobicContact CG2-CD2 4.05Å; I525-F545 HydrophobicContact CD1-CE1 3.62Å; I525-F545 HydrophobicContact CD1-CE2 3.71Å; I525-F545 HydrophobicContact CD1-CZ 3.09Å; I525-M571 HydrophobicContact CD1-CE 4.26Å; I525-M571 HydrophobicContact CD1-SD 4.17Å; I525-M571 HydrophobicContact CG2-CE 4.49Å; I525-M571 HydrophobicContact CG2-CG 4.28Å |
| 526 | P | 67.3 | Low | 72.1 | Confident | 43 Ų | 43 | 33.4 Ų | 33.4 | 28% | 0.279 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -60 | -24.1 | 176.4 | -22.6 | 33.8 | 0 | 0 | 0 | 114.1 | S523 Q570 L574 | S523-P526 WeakPolarHBondContact O-CD 3.36Å; P526-Q570 HydrophobicContact CG-CB 4.02Å; P526-L574 HydrophobicContact CB-CD2 4.46Å |
| 527 | Q | 68.6 | Low | 71.6 | Confident | 110 Ų | 110 | 38.4 Ų | 38.4 | 51% | 0.514 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -92.7 | -4.2 | 179.6 | -54.1 | -175.1 | 21 | 0 | 0 | 112.8 | H490 L497 L524 I525 | H490-Q527 PolarHBondContact CE1-OE1 2.56Å; H490-Q527 PolarHBondContact NE2-OE1 3.14Å; H490-Q527 VanDerWaalsContact NE2-OE1 3.13Å; L497-Q527 HydrophobicContact CD1-CB 3.77Å; L524-Q527 CarbonylContact O-C 3.57Å; L524-Q527 PolarHBondContact O-N 3.18Å; I525-Q527 PolarHBondContact O-N 3.19Å; I525-Q527 VanDerWaalsContact O-N 3.12Å |
| 528 | S | 68.5 | Low | 70.8 | Confident | 8 Ų | 8 | 43 Ų | 43 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -95.1 | 173.9 | -177.1 | 77.2 | 0 | 0 | 0 | 0 | 112.9 | L502 L524 I525 V530 | L502-S528 VanDerWaalsContact CD1-CB 3.42Å; L524-S528 PolarHBondContact O-N 3.22Å; I525-S528 WeakPolarHBondContact O-CB 3.21Å; I525-S528 PolarHBondContact O-N 3.43Å; I525-S528 PolarHBondContact O-OG 3.24Å; S528-V530 VanDerWaalsContact C-N 3.3Å; S528-V530 VanDerWaalsContact OG-CG2 3.28Å; S528-V530 WeakPolarHBondContact OG-CG2 3.43Å; S528-V530 PolarHBondContact OG-N 3.08Å |
| 529 | S | 60.4 | Low | 69.6 | Low | 24 Ų | 24 | 44.4 Ų | 44.4 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | trans | -86.2 | 4.5 | 175.6 | 55.8 | 0 | 0 | 0 | 0 | 114 | L498 E531 | L498-S529 WeakPolarHBondContact O-CB 3.18Å; L498-S529 PolarHBondContact O-OG 2.87Å; S529-E531 PolarHBondContact O-N 2.82Å | ||
| 530 | V | 64.8 | Low | 68.1 | Low | 18 Ų | 18 | 53.8 Ų | 53.8 | 11% | 0.109 | 26% | 0.263 | C | S | . | . | trans | -60.7 | 120 | -177.2 | 177.9 | 0 | 0 | 0 | 0 | 110 | L502 V503 S528 D534 L535 | L502-V530 HydrophobicContact CB-CG2 4.33Å; V503-V530 HydrophobicContact CG2-CB 4.45Å; V503-V530 HydrophobicContact CG2-CG1 3.54Å; V503-V530 HydrophobicContact CG2-CG2 3.97Å; S528-V530 VanDerWaalsContact C-N 3.3Å; S528-V530 VanDerWaalsContact OG-CG2 3.28Å; S528-V530 WeakPolarHBondContact OG-CG2 3.43Å; S528-V530 PolarHBondContact OG-N 3.08Å; V530-D534 HydrophobicContact CG1-CB 4.25Å; V530-L535 HydrophobicContact CG1-CD2 3.64Å; V530-L535 HydrophobicContact CG1-CG 3.76Å | ||
| 531 | E | 61.3 | Low | 66.6 | Low | 62 Ų | 62 | 52.9 Ų | 52.9 | 29% | 0.29 | 28% | 0.278 | S | S | . | . | trans | -72.9 | 143.2 | 172.4 | -67.5 | -171.9 | 170 | 0 | 0 | 109.5 | S529 V533 D534 L535 S1577 | S529-E531 PolarHBondContact O-N 2.82Å; E531-V533 PolarHBondContact O-N 3.23Å; E531-D534 WeakPolarHBondContact O-CB 3.27Å; E531-D534 PolarHBondContact O-N 3.4Å; E531-L535 PolarHBondContact O-N 2.73Å; E531-S1577 VanDerWaalsContact CD-CB 3.44Å; E531-S1577 WeakPolarHBondContact OE1-CA 3.31Å; E531-S1577 WeakPolarHBondContact OE1-CB 3.43Å; E531-S1577 PolarHBondContact OE1-N 3.1Å; E531-S1577 PolarHBondContact OE1-OG 2.8Å; E531-S1577 WeakPolarHBondContact OE2-CB 3.31Å; E531-S1577 PolarHBondContact OE2-OG 3.2Å | ||
| 532 | L | 63.8 | Low | 65.4 | Low | 29 Ų | 29 | 55 Ų | 55 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.1 | -31.5 | 176.7 | -96.9 | 146.1 | 0 | 0 | 0 | 113.1 | D534 L535 L574 S575 I612 | L532-D534 VanDerWaalsContact C-N 3.32Å; L532-D534 PolarHBondContact O-N 2.85Å; L532-L535 HydrophobicContact CD2-CD1 4.36Å; L532-L535 WeakPolarHBondContact O-CB 3.31Å; L532-L535 PolarHBondContact O-N 3.5Å; L532-L574 HydrophobicContact CD1-CB 3.52Å; L532-L574 WeakPolarHBondContact CD1-O 3.44Å; L532-L574 HydrophobicContact CG-CB 4.08Å; L532-S575 VanDerWaalsContact CD1-N 3.28Å; L532-I612 HydrophobicContact CB-CD1 4.32Å; L532-I612 HydrophobicContact CB-CG2 3.98Å; L532-I612 HydrophobicContact CD2-CD1 3.64Å; L532-I612 HydrophobicContact CD2-CG1 4.3Å |
| 533 | V | 64 | Low | 64.7 | Low | 58 Ų | 58 | 59.9 Ų | 59.9 | 35% | 0.352 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 175.5 | -179 | 0 | 0 | 0 | 0 | 111.3 | E531 L535 V536 R537 I612 | E531-V533 PolarHBondContact O-N 3.23Å; V533-L535 VanDerWaalsContact C-N 3.31Å; V533-L535 PolarHBondContact O-N 2.81Å; V533-V536 PolarHBondContact O-N 3.46Å; V533-R537 VanDerWaalsContact O-CB 3.28Å; V533-R537 WeakPolarHBondContact O-CB 3.21Å; V533-R537 PolarHBondContact O-N 2.63Å; V533-I612 HydrophobicContact CG2-CG2 3.95Å |
| 534 | D | 67.3 | Low | 64.5 | Low | 58 Ų | 58 | 57.6 Ų | 57.6 | 31% | 0.31 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.1 | -26.2 | -179.4 | -67.2 | -37.5 | 0 | 0 | 0 | 112.6 | V530 E531 L532 V536 | V530-D534 HydrophobicContact CG1-CB 4.25Å; E531-D534 WeakPolarHBondContact O-CB 3.27Å; E531-D534 PolarHBondContact O-N 3.4Å; L532-D534 VanDerWaalsContact C-N 3.32Å; L532-D534 PolarHBondContact O-N 2.85Å; D534-V536 VanDerWaalsContact C-N 3.27Å; D534-V536 PolarHBondContact O-N 3.39Å |
| 535 | L | 69 | Low | 64.5 | Low | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.5 | -30.3 | 173 | -63.3 | 172.1 | 0 | 0 | 0 | 112.3 | V503 I525 V530 E531 L532 V533 F545 L546 M571 | V503-L535 HydrophobicContact CG2-CD2 3.89Å; I525-L535 HydrophobicContact CD1-CD2 4.38Å; I525-L535 HydrophobicContact CG2-CD1 4.25Å; I525-L535 HydrophobicContact CG2-CD2 4.05Å; V530-L535 HydrophobicContact CG1-CD2 3.64Å; V530-L535 HydrophobicContact CG1-CG 3.76Å; E531-L535 PolarHBondContact O-N 2.73Å; L532-L535 HydrophobicContact CD2-CD1 4.36Å; L532-L535 WeakPolarHBondContact O-CB 3.31Å; L532-L535 PolarHBondContact O-N 3.5Å; V533-L535 VanDerWaalsContact C-N 3.31Å; V533-L535 PolarHBondContact O-N 2.81Å; L535-F545 HydrophobicContact CB-CD1 4.47Å; L535-F545 HydrophobicContact CD2-CD1 3.62Å; L535-F545 HydrophobicContact CD2-CE1 4.04Å; L535-F545 HydrophobicContact CD2-CG 3.99Å; L535-F545 WeakPolarHBondContact O-CB 3.35Å; L535-F545 PolarHBondContact O-N 2.67Å; L535-L546 PolarHBondContact O-N 3.33Å; L535-M571 HydrophobicContact CD1-CE 3.59Å; L535-M571 HydrophobicContact CD2-CE 3.95Å; L535-M571 HydrophobicContact CG-CE 4.29Å |
| 536 | V | 66.3 | Low | 64.5 | Low | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -103.1 | -17.4 | -177.4 | -157.4 | 0 | 0 | 0 | 0 | 112.6 | V533 D534 K538 L546 E605 V608 H609 I612 | V533-V536 PolarHBondContact O-N 3.46Å; D534-V536 VanDerWaalsContact C-N 3.27Å; D534-V536 PolarHBondContact O-N 3.39Å; V536-K538 PolarHBondContact O-N 3.2Å; V536-L546 HydrophobicContact CG1-CD2 4.14Å; V536-L546 HydrophobicContact CG2-CD2 4.19Å; V536-E605 HydrophobicContact CG1-CG 4.25Å; V536-V608 HydrophobicContact CG2-CG1 4.31Å; V536-H609 HydrophobicContact CG1-CB 3.52Å; V536-I612 HydrophobicContact CG2-CD1 3.68Å |
| 537 | R | 67.4 | Low | 64.8 | Low | 149 Ų | 149 | 56.1 Ų | 56.1 | 56% | 0.562 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -66.4 | 124 | 178.5 | -172.2 | 176.9 | -177.2 | 178 | 2.2 | 110.9 | V533 L539 | V533-R537 VanDerWaalsContact O-CB 3.28Å; V533-R537 WeakPolarHBondContact O-CB 3.21Å; V533-R537 PolarHBondContact O-N 2.63Å; R537-L539 PolarHBondContact O-N 3.1Å |
| 538 | K | 63.5 | Low | 65.1 | Low | 109 Ų | 109 | 51.5 Ų | 51.5 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | trans | -69.3 | 115.6 | 170.2 | -65.4 | -175.9 | 177.6 | -167.8 | 0 | 109.7 | V536 E605 | V536-K538 PolarHBondContact O-N 3.2Å; K538-E605 WeakPolarHBondContact CE-OE1 3.34Å; K538-E605 IonicContact NZ-OE2 3.74Å | ||
| 539 | L | 57.7 | Low | 65.5 | Low | 64 Ų | 64 | 51.1 Ų | 51.1 | 34% | 0.335 | 28% | 0.276 | S | S | . | . | trans | -79.8 | 172.1 | 177.1 | -74.8 | 167.8 | 0 | 0 | 0 | 111.3 | V503 Q504 L507 R537 G541 G542 K543 | V503-L539 HydrophobicContact CG1-CD1 4.11Å; Q504-L539 HydrophobicContact CG-CD1 4.44Å; L507-L539 HydrophobicContact CD1-CD1 3.46Å; L507-L539 VanDerWaalsContact CD1-CD1 3.46Å; R537-L539 PolarHBondContact O-N 3.1Å; L539-G541 PolarHBondContact O-N 2.83Å; L539-G542 PolarHBondContact O-N 3.3Å; L539-K543 PolarHBondContact N-O 3.32Å | ||
| 540 | K | 48.4 | Very low | 66 | Low | 229 Ų | 229 | 50.1 Ų | 50.1 | 100% | 0.996 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 99 | 177 | -77.1 | -174.1 | 176.3 | -177.2 | 0 | 109.5 | ||
| 541 | G | 48.4 | Very low | 66.4 | Low | 72 Ų | 72 | 55.2 Ų | 55.2 | 74% | 0.742 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 138.1 | -6.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L539 K543 | L539-G541 PolarHBondContact O-N 2.83Å; G541-K543 PolarHBondContact O-N 3.39Å |
| 542 | G | 54.8 | Low | 67 | Low | 50 Ų | 50 | 52.9 Ų | 52.9 | 52% | 0.515 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 79.7 | -9.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L539 | L539-G542 PolarHBondContact O-N 3.3Š|
| 543 | K | 63.9 | Low | 67.3 | Low | 104 Ų | 104 | 52.2 Ų | 52.2 | 45% | 0.452 | 27% | 0.272 | S | S | . | . | trans | -90.4 | 132.7 | 177.2 | -56 | -175 | -176.5 | -178.9 | 0 | 110.5 | L539 G541 Q548 | L539-K543 PolarHBondContact N-O 3.32Å; G541-K543 PolarHBondContact O-N 3.39Å; K543-Q548 HydrophobicContact CB-CG 4.26Å; K543-Q548 HydrophobicContact CD-CG 4.35Å | ||
| 544 | S | 74.2 | Confident | 67.3 | Low | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | trans | -97.3 | 155.8 | 166.2 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | L546 G547 Q548 E605 | S544-L546 VanDerWaalsContact C-N 3.32Å; S544-G547 PolarHBondContact O-N 2.84Å; S544-G547 PolarHBondContact OG-N 2.85Å; S544-Q548 PolarHBondContact O-N 2.85Å; S544-Q548 VanDerWaalsContact O-N 3.12Å; S544-E605 WeakPolarHBondContact CB-OE1 3.43Å; S544-E605 VanDerWaalsContact OG-CD 3.23Å; S544-E605 PolarHBondContact OG-OE1 2.71Å | ||
| 545 | F | 79.1 | Confident | 66.8 | Low | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 173.9 | 177.1 | -81.8 | 0 | 0 | 0 | 111 | V503 F506 L507 I522 I525 L535 G547 Q548 L549 M571 | V503-F545 HydrophobicContact CG1-CB 4.03Å; V503-F545 HydrophobicContact CG1-CD2 4.35Å; V503-F545 HydrophobicContact CG2-CD2 4.35Å; F506-F545 HydrophobicContact CB-CD2 4.26Å; F506-F545 HydrophobicContact CB-CE2 3.84Å; F506-F545 AromaticContact CD1-CD2 3.69Å; F506-F545 HydrophobicContact CD1-CD2 3.69Å; F506-F545 AromaticContact CD1-CE2 3.4Å; F506-F545 HydrophobicContact CD1-CE2 3.4Å; F506-F545 HydrophobicContact CD1-CZ 4.32Å; F506-F545 HydrophobicContact CD2-CE2 4.11Å; F506-F545 HydrophobicContact CE1-CD2 4.32Å; F506-F545 AromaticContact CE1-CE2 3.92Å; F506-F545 HydrophobicContact CE1-CE2 3.92Å; F506-F545 HydrophobicContact CE1-CZ 4.45Å; F506-F545 HydrophobicContact CG-CD2 4.13Å; F506-F545 AromaticContact CG-CE2 3.51Å; F506-F545 HydrophobicContact CG-CE2 3.51Å; F506-F545 HydrophobicContact CG-CZ 4.45Å; F506-F545 HydrophobicContact CZ-CE2 4.46Å; L507-F545 HydrophobicContact CD2-CB 4.48Å; I522-F545 HydrophobicContact CG1-CZ 4.32Å; I525-F545 HydrophobicContact CD1-CE1 3.62Å; I525-F545 HydrophobicContact CD1-CE2 3.71Å; I525-F545 HydrophobicContact CD1-CZ 3.09Å; L535-F545 HydrophobicContact CB-CD1 4.47Å; L535-F545 HydrophobicContact CD2-CD1 3.62Å; L535-F545 HydrophobicContact CD2-CE1 4.04Å; L535-F545 HydrophobicContact CD2-CG 3.99Å; L535-F545 WeakPolarHBondContact O-CB 3.35Å; L535-F545 PolarHBondContact O-N 2.67Å; F545-G547 PolarHBondContact O-N 2.94Å; F545-Q548 PolarHBondContact O-N 3.03Å; F545-L549 HydrophobicContact CE1-CB 4.28Å; F545-L549 HydrophobicContact CE1-CD1 3.63Å; F545-L549 HydrophobicContact CZ-CD1 4.03Å; F545-L549 WeakPolarHBondContact O-CB 3.06Å; F545-L549 PolarHBondContact O-N 3.45Å; F545-M571 HydrophobicContact CD1-CE 4.06Å; F545-M571 HydrophobicContact CE1-CE 3.53Å; F545-M571 HydrophobicContact CE1-SD 4.21Å |
| 546 | L | 76.6 | Confident | 66 | Low | 6 Ų | 6 | 66.2 Ų | 66.2 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 177.4 | -175.1 | 65.8 | 0 | 0 | 0 | 111.8 | L535 V536 S544 Q548 L549 L550 F568 E605 V608 | L535-L546 PolarHBondContact O-N 3.33Å; V536-L546 HydrophobicContact CG1-CD2 4.14Å; V536-L546 HydrophobicContact CG2-CD2 4.19Å; S544-L546 VanDerWaalsContact C-N 3.32Å; L546-Q548 VanDerWaalsContact C-N 3.33Å; L546-Q548 PolarHBondContact O-N 3.22Å; L546-L549 PolarHBondContact O-N 3.4Å; L546-L550 HydrophobicContact CG-CD1 4.24Å; L546-L550 VanDerWaalsContact O-CG 3.3Å; L546-L550 WeakPolarHBondContact O-CG 3.21Å; L546-L550 PolarHBondContact O-N 2.91Å; L546-F568 HydrophobicContact CD1-CE2 3.5Å; L546-F568 VanDerWaalsContact CD1-CE2 3.5Å; L546-F568 HydrophobicContact CD1-CZ 4.11Å; L546-E605 HydrophobicContact CD2-CG 4.26Å; L546-V608 HydrophobicContact CD2-CB 3.95Å; L546-V608 HydrophobicContact CD2-CG1 3.73Å |
| 547 | G | 73.5 | Confident | 65.8 | Low | 16 Ų | 16 | 69.4 Ų | 69.4 | 17% | 0.165 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S544 F545 R551 | S544-G547 PolarHBondContact O-N 2.84Å; S544-G547 PolarHBondContact OG-N 2.85Å; F545-G547 PolarHBondContact O-N 2.94Å; G547-R551 PolarHBondContact O-N 3.5Å |
| 548 | Q | 74.5 | Confident | 65.5 | Low | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.056 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.2 | -36 | 174.7 | -66.1 | -159.4 | -86.3 | 0 | 0 | 112.6 | L507 E510 K543 S544 F545 L546 L550 R551 | L507-Q548 HydrophobicContact CD2-CG 4.43Å; E510-Q548 PolarHBondContact OE2-NE2 2.85Å; E510-Q548 PolarHBondContact OE2-OE1 3Å; K543-Q548 HydrophobicContact CB-CG 4.26Å; K543-Q548 HydrophobicContact CD-CG 4.35Å; S544-Q548 PolarHBondContact O-N 2.85Å; S544-Q548 VanDerWaalsContact O-N 3.12Å; F545-Q548 PolarHBondContact O-N 3.03Å; L546-Q548 VanDerWaalsContact C-N 3.33Å; L546-Q548 PolarHBondContact O-N 3.22Å; Q548-L550 VanDerWaalsContact C-N 3.34Å; Q548-L550 PolarHBondContact O-N 3.21Å; Q548-R551 WeakPolarHBondContact O-CB 3.4Å; Q548-R551 PolarHBondContact O-N 3.23Å |
| 549 | L | 75.7 | Confident | 65.5 | Low | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 174.3 | -173.6 | 146.5 | 0 | 0 | 0 | 111.8 | I522 F545 L546 R551 C552 Y553 L564 F568 M571 | I522-L549 HydrophobicContact CD1-CD1 3.96Å; I522-L549 HydrophobicContact CG1-CD1 4.27Å; I522-L549 HydrophobicContact CG2-CD1 3.97Å; F545-L549 HydrophobicContact CE1-CB 4.28Å; F545-L549 HydrophobicContact CE1-CD1 3.63Å; F545-L549 HydrophobicContact CZ-CD1 4.03Å; F545-L549 WeakPolarHBondContact O-CB 3.06Å; F545-L549 PolarHBondContact O-N 3.45Å; L546-L549 PolarHBondContact O-N 3.4Å; L549-R551 PolarHBondContact O-N 3.14Å; L549-C552 VanDerWaalsContact O-CB 3.29Å; L549-C552 WeakPolarHBondContact O-CB 3.3Å; L549-C552 PolarHBondContact O-N 3.04Å; L549-Y553 HydrophobicContact CD2-CE2 4.25Å; L549-L564 HydrophobicContact CD2-CD2 3.94Å; L549-L564 HydrophobicContact CG-CD2 4.41Å; L549-F568 HydrophobicContact CD2-CD2 3.65Å; L549-F568 HydrophobicContact CD2-CE2 4.2Å; L549-M571 HydrophobicContact CD1-CE 4.47Å; L549-M571 HydrophobicContact CD1-SD 3.97Å |
| 550 | L | 72.7 | Confident | 65.9 | Low | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.2 | -27.9 | 175.6 | -71.4 | 170.3 | 0 | 0 | 0 | 112.7 | L546 Q548 C552 Y553 A593 R601 F604 | L546-L550 HydrophobicContact CG-CD1 4.24Å; L546-L550 VanDerWaalsContact O-CG 3.3Å; L546-L550 WeakPolarHBondContact O-CG 3.21Å; L546-L550 PolarHBondContact O-N 2.91Å; Q548-L550 VanDerWaalsContact C-N 3.34Å; Q548-L550 PolarHBondContact O-N 3.21Å; L550-C552 VanDerWaalsContact C-N 3.3Å; L550-C552 PolarHBondContact O-N 3.26Å; L550-Y553 HydrophobicContact CD2-CE2 4.48Å; L550-Y553 PolarHBondContact O-N 3.06Å; L550-A593 HydrophobicContact CD2-CB 4.25Å; L550-R601 HydrophobicContact CD1-CB 4.42Å; L550-F604 HydrophobicContact CD1-CD1 3.98Å; L550-F604 HydrophobicContact CD2-CD1 4Å; L550-F604 HydrophobicContact CD2-CE1 4.16Å |
| 551 | R | 72.9 | Confident | 66.9 | Low | 125 Ų | 125 | 56.5 Ų | 56.5 | 47% | 0.472 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.2 | -23.6 | 173.2 | -68.5 | 176.2 | 179.1 | -164 | -5.3 | 113.1 | G547 Q548 L549 Y553 E554 | G547-R551 PolarHBondContact O-N 3.5Å; Q548-R551 WeakPolarHBondContact O-CB 3.4Å; Q548-R551 PolarHBondContact O-N 3.23Å; L549-R551 PolarHBondContact O-N 3.14Å; R551-Y553 PolarHBondContact O-N 3.03Å; R551-E554 WeakPolarHBondContact O-CG 3.41Å; R551-E554 PolarHBondContact O-N 3.43Å |
| 552 | C | 72.7 | Confident | 67.9 | Low | 14 Ų | 14 | 60 Ų | 60 | 10% | 0.095 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -67.1 | -14.6 | 175.8 | -65.3 | 0 | 0 | 0 | 0 | 113.2 | M515 L549 L550 E554 L564 | M515-C552 HydrophobicContact CE-CB 4.45Å; L549-C552 VanDerWaalsContact O-CB 3.29Å; L549-C552 WeakPolarHBondContact O-CB 3.3Å; L549-C552 PolarHBondContact O-N 3.04Å; L550-C552 VanDerWaalsContact C-N 3.3Å; L550-C552 PolarHBondContact O-N 3.26Å; C552-E554 PolarHBondContact O-N 2.97Å; C552-L564 HydrophobicContact CB-CD1 3.64Å |
| 553 | Y | 71.4 | Confident | 68.6 | Low | 15 Ų | 15 | 60.6 Ų | 60.6 | 6% | 0.059 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -73.3 | -6 | 174.4 | -78.6 | -91.3 | 0 | 0 | 0 | 114 | L549 L550 R551 K555 L561 L564 D565 Y594 | L549-Y553 HydrophobicContact CD2-CE2 4.25Å; L550-Y553 HydrophobicContact CD2-CE2 4.48Å; L550-Y553 PolarHBondContact O-N 3.06Å; R551-Y553 PolarHBondContact O-N 3.03Å; Y553-K555 PolarHBondContact O-N 3.4Å; Y553-L561 HydrophobicContact CD1-CD2 3.74Å; Y553-L561 HydrophobicContact CE1-CD2 4.42Å; Y553-L564 HydrophobicContact CD2-CD2 3.73Å; Y553-L564 HydrophobicContact CE1-CD2 4.13Å; Y553-L564 HydrophobicContact CE2-CD2 3.17Å; Y553-L564 HydrophobicContact CG-CD2 4.42Å; Y553-D565 WeakPolarHBondContact CE1-OD1 3.29Å; Y553-D565 PolarHBondContact OH-OD1 3.28Å; Y553-Y594 HydrophobicContact CD1-CE1 4.22Å |
| 554 | E | 64 | Low | 69.1 | Low | 118 Ų | 118 | 55.8 Ų | 55.8 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -69.9 | -6.6 | 178.7 | -73.1 | 179.9 | 174.3 | 0 | 0 | 115 | R551 C552 R601 | R551-E554 WeakPolarHBondContact O-CG 3.41Å; R551-E554 PolarHBondContact O-N 3.43Å; C552-E554 PolarHBondContact O-N 2.97Å; E554-R601 IonicContact OE1-CZ 2.73Å; E554-R601 IonicContact OE1-NH1 2.75Å; E554-R601 PolarHBondContact OE1-NH1 3Å; E554-R601 IonicContact OE1-NH2 2.85Å; E554-R601 PolarHBondContact OE1-NH2 2.63Å |
| 555 | K | 56.4 | Low | 69 | Low | 142 Ų | 142 | 57.1 Ų | 57.1 | 62% | 0.617 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -113.4 | 143.4 | -166.2 | -64.4 | -167.4 | 176.4 | -170.6 | 0 | 114.6 | Y553 T557 | Y553-K555 PolarHBondContact O-N 3.4Å; K555-T557 PolarHBondContact O-N 2.81Å |
| 556 | D | 52.4 | Low | 68.6 | Low | 155 Ų | 155 | 60 Ų | 60 | 83% | 0.829 | 32% | 0.317 | S | S | * | . | trans | -73.9 | -17.8 | -149.2 | -61.1 | -44.2 | 0 | 0 | 0 | 118.2 | N558 | D556-N558 PolarHBondContact O-N 3.26Š| ||
| 557 | T | 60.8 | Low | 68.3 | Low | 71 Ų | 71 | 60.1 Ų | 60.1 | 44% | 0.436 | 32% | 0.319 | S | S | . | . | trans | -84.5 | 118.4 | -170.1 | 61 | 0 | 0 | 0 | 0 | 112.8 | K555 A559 E560 L561 | K555-T557 PolarHBondContact O-N 2.81Å; T557-A559 PolarHBondContact O-N 3.1Å; T557-A559 VanDerWaalsContact O-N 3.1Å; T557-E560 PolarHBondContact O-N 2.91Å; T557-E560 WeakPolarHBondContact OG1-CB 3.32Å; T557-E560 WeakPolarHBondContact OG1-CG 3.5Å; T557-E560 PolarHBondContact OG1-OE2 3.32Å; T557-L561 PolarHBondContact O-N 2.71Å; T557-L561 VanDerWaalsContact O-N 3.11Å | ||
| 558 | N | 61.8 | Low | 68.4 | Low | 118 Ų | 118 | 59.6 Ų | 59.6 | 63% | 0.631 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -50.3 | -38 | 177.9 | -74.7 | -17.5 | 0 | 0 | 0 | 113.3 | D556 L561 F562 | D556-N558 PolarHBondContact O-N 3.26Å; N558-L561 PolarHBondContact O-N 3.25Å; N558-F562 HydrophobicContact CB-CE2 4.43Å; N558-F562 WeakPolarHBondContact O-CD2 3.3Å; N558-F562 PolarHBondContact O-N 3.28Å |
| 559 | A | 63.8 | Low | 68.2 | Low | 71 Ų | 71 | 60.3 Ų | 60.3 | 59% | 0.587 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.1 | -34.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T557 S563 | T557-A559 PolarHBondContact O-N 3.1Å; T557-A559 VanDerWaalsContact O-N 3.1Å; A559-S563 WeakPolarHBondContact O-CB 3.3Å; A559-S563 PolarHBondContact O-N 3.3Å; A559-S563 VanDerWaalsContact O-N 3.17Å; A559-S563 PolarHBondContact O-OG 2.69Å |
| 560 | E | 66.8 | Low | 67.9 | Low | 66 Ų | 66 | 64.2 Ų | 64.2 | 31% | 0.308 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.2 | -40.3 | 174 | -70.9 | -179.2 | 157.3 | 0 | 0 | 110.5 | M515 T557 S563 L564 | M515-E560 HydrophobicContact CG-CG 4.48Å; T557-E560 PolarHBondContact O-N 2.91Å; T557-E560 WeakPolarHBondContact OG1-CB 3.32Å; T557-E560 WeakPolarHBondContact OG1-CG 3.5Å; T557-E560 PolarHBondContact OG1-OE2 3.32Å; E560-S563 PolarHBondContact O-N 3.21Å; E560-L564 WeakPolarHBondContact O-CB 3.45Å; E560-L564 PolarHBondContact O-N 2.79Å |
| 561 | L | 69.3 | Low | 67.8 | Low | 24 Ų | 24 | 64.6 Ų | 64.6 | 13% | 0.126 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.9 | -48 | 175 | -70.8 | 169.7 | 0 | 0 | 0 | 111.7 | Y553 T557 N558 S563 L564 D565 Y594 | Y553-L561 HydrophobicContact CD1-CD2 3.74Å; Y553-L561 HydrophobicContact CE1-CD2 4.42Å; T557-L561 PolarHBondContact O-N 2.71Å; T557-L561 VanDerWaalsContact O-N 3.11Å; N558-L561 PolarHBondContact O-N 3.25Å; L561-S563 VanDerWaalsContact C-N 3.31Å; L561-S563 PolarHBondContact O-N 3.23Å; L561-L564 CarbonylContact O-C 3.52Å; L561-L564 WeakPolarHBondContact O-CB 3.29Å; L561-L564 PolarHBondContact O-N 3.38Å; L561-L564 VanDerWaalsContact O-N 3.09Å; L561-D565 PolarHBondContact O-N 3.08Å; L561-Y594 HydrophobicContact CD1-CE1 4.3Å; L561-Y594 HydrophobicContact CD2-CE1 4.18Å |
| 562 | F | 68.9 | Low | 67.6 | Low | 147 Ų | 147 | 59.2 Ų | 59.2 | 65% | 0.645 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.2 | -38.2 | 175.7 | -78.8 | -63.8 | 0 | 0 | 0 | 112.9 | N558 L564 S566 | N558-F562 HydrophobicContact CB-CE2 4.43Å; N558-F562 WeakPolarHBondContact O-CD2 3.3Å; N558-F562 PolarHBondContact O-N 3.28Å; F562-L564 VanDerWaalsContact C-N 3.29Å; F562-S566 WeakPolarHBondContact O-CB 3.42Å; F562-S566 PolarHBondContact O-N 2.92Å |
| 563 | S | 69.5 | Low | 67.3 | Low | 62 Ų | 62 | 64.5 Ų | 64.5 | 43% | 0.434 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.8 | -35.1 | 176.2 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | A559 E560 L561 A567 | A559-S563 WeakPolarHBondContact O-CB 3.3Å; A559-S563 PolarHBondContact O-N 3.3Å; A559-S563 VanDerWaalsContact O-N 3.17Å; A559-S563 PolarHBondContact O-OG 2.69Å; E560-S563 PolarHBondContact O-N 3.21Å; L561-S563 VanDerWaalsContact C-N 3.31Å; L561-S563 PolarHBondContact O-N 3.23Å; S563-A567 WeakPolarHBondContact O-CB 3.46Å; S563-A567 PolarHBondContact O-N 3.48Å |
| 564 | L | 73.3 | Confident | 67 | Low | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -75.2 | -39.3 | 178.8 | -146.3 | 143.6 | 0 | 0 | 0 | 111.8 | M515 L519 L549 C552 Y553 E560 L561 F562 S566 A567 F568 | M515-L564 HydrophobicContact CE-CD1 3.5Å; L519-L564 HydrophobicContact CD2-CB 4.39Å; L519-L564 HydrophobicContact CD2-CD1 4.25Å; L519-L564 HydrophobicContact CD2-CG 4.29Å; L549-L564 HydrophobicContact CD2-CD2 3.94Å; L549-L564 HydrophobicContact CG-CD2 4.41Å; C552-L564 HydrophobicContact CB-CD1 3.64Å; Y553-L564 HydrophobicContact CD2-CD2 3.73Å; Y553-L564 HydrophobicContact CE1-CD2 4.13Å; Y553-L564 HydrophobicContact CE2-CD2 3.17Å; Y553-L564 HydrophobicContact CG-CD2 4.42Å; E560-L564 WeakPolarHBondContact O-CB 3.45Å; E560-L564 PolarHBondContact O-N 2.79Å; L561-L564 CarbonylContact O-C 3.52Å; L561-L564 WeakPolarHBondContact O-CB 3.29Å; L561-L564 PolarHBondContact O-N 3.38Å; L561-L564 VanDerWaalsContact O-N 3.09Å; F562-L564 VanDerWaalsContact C-N 3.29Å; L564-S566 VanDerWaalsContact C-N 3.35Å; L564-A567 PolarHBondContact O-N 2.81Å; L564-F568 WeakPolarHBondContact O-CB 3.43Å; L564-F568 PolarHBondContact O-N 3.47Å |
| 565 | D | 72.2 | Confident | 67 | Low | 31 Ų | 31 | 62.3 Ų | 62.3 | 17% | 0.166 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 171.4 | -74.9 | -23.3 | 0 | 0 | 0 | 111.2 | Y553 L561 F568 C569 Y594 | Y553-D565 WeakPolarHBondContact CE1-OD1 3.29Å; Y553-D565 PolarHBondContact OH-OD1 3.28Å; L561-D565 PolarHBondContact O-N 3.08Å; D565-F568 PolarHBondContact O-N 2.89Å; D565-C569 WeakPolarHBondContact O-CB 3.5Å; D565-C569 PolarHBondContact O-N 3.22Å; D565-C569 PolarHBondContact O-SG 3.27Å; D565-Y594 PolarHBondContact OD2-OH 3.07Å; D565-Y594 VanDerWaalsContact OD2-OH 3.09Å |
| 566 | S | 70.8 | Confident | 67.2 | Low | 61 Ų | 61 | 58.5 Ų | 58.5 | 43% | 0.427 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 177.1 | -175.2 | 0 | 0 | 0 | 0 | 111 | F562 L564 F568 C569 Q570 | F562-S566 WeakPolarHBondContact O-CB 3.42Å; F562-S566 PolarHBondContact O-N 2.92Å; L564-S566 VanDerWaalsContact C-N 3.35Å; S566-F568 PolarHBondContact O-N 3.22Å; S566-C569 PolarHBondContact O-N 3.14Å; S566-Q570 VanDerWaalsContact O-CG 3.29Å; S566-Q570 WeakPolarHBondContact O-CG 3.45Å; S566-Q570 PolarHBondContact O-N 3.28Å |
| 567 | A | 71.2 | Confident | 67.5 | Low | 9 Ų | 9 | 53.4 Ų | 53.4 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I522 S563 L564 Q570 M571 | I522-A567 HydrophobicContact CG2-CB 3.75Å; S563-A567 WeakPolarHBondContact O-CB 3.46Å; S563-A567 PolarHBondContact O-N 3.48Å; L564-A567 PolarHBondContact O-N 2.81Å; A567-Q570 PolarHBondContact O-N 2.98Å; A567-M571 WeakPolarHBondContact O-CG 3.48Å; A567-M571 PolarHBondContact O-N 3.49Å; A567-M571 VanDerWaalsContact O-N 3.09Å |
| 568 | F | 75.5 | Confident | 67.6 | Low | 5 Ų | 5 | 50.1 Ų | 50.1 | 2% | 0.022 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 176.6 | -169.8 | -87.3 | 0 | 0 | 0 | 111.8 | L546 L549 L564 D565 S566 Q570 M571 V572 L589 F604 | L546-F568 HydrophobicContact CD1-CE2 3.5Å; L546-F568 VanDerWaalsContact CD1-CE2 3.5Å; L546-F568 HydrophobicContact CD1-CZ 4.11Å; L549-F568 HydrophobicContact CD2-CD2 3.65Å; L549-F568 HydrophobicContact CD2-CE2 4.2Å; L564-F568 WeakPolarHBondContact O-CB 3.43Å; L564-F568 PolarHBondContact O-N 3.47Å; D565-F568 PolarHBondContact O-N 2.89Å; S566-F568 PolarHBondContact O-N 3.22Å; F568-Q570 VanDerWaalsContact C-N 3.3Å; F568-Q570 PolarHBondContact O-N 2.85Å; F568-M571 WeakPolarHBondContact O-CA 3.36Å; F568-M571 WeakPolarHBondContact O-CB 3.45Å; F568-M571 PolarHBondContact O-N 3.36Å; F568-V572 HydrophobicContact CD1-CG2 3.63Å; F568-V572 HydrophobicContact CE1-CG2 3.34Å; F568-V572 HydrophobicContact CZ-CG2 4.11Å; F568-V572 WeakPolarHBondContact O-CG2 2.98Å; F568-V572 PolarHBondContact O-N 3.38Å; F568-L589 HydrophobicContact CD1-CD1 3.51Å; F568-L589 HydrophobicContact CD1-CD2 4.06Å; F568-L589 HydrophobicContact CD1-CG 4.3Å; F568-L589 HydrophobicContact CE1-CD1 3.79Å; F568-L589 HydrophobicContact CE1-CD2 3.81Å; F568-L589 HydrophobicContact CE1-CG 4.13Å; F568-L589 HydrophobicContact CE2-CD2 4.48Å; F568-L589 HydrophobicContact CG-CD1 4.32Å; F568-L589 HydrophobicContact CG-CD2 4.49Å; F568-L589 HydrophobicContact CZ-CD2 4.05Å; F568-F604 HydrophobicContact CE1-CZ 4.43Å; F568-F604 AromaticContact CZ-CE1 3.81Å; F568-F604 HydrophobicContact CZ-CE1 3.81Å; F568-F604 HydrophobicContact CZ-CZ 4.11Å |
| 569 | C | 70 | Confident | 67.7 | Low | 27 Ų | 27 | 46 Ų | 46 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 177 | -71.5 | 0 | 0 | 0 | 0 | 111.4 | D565 S566 M571 V572 Q573 | D565-C569 WeakPolarHBondContact O-CB 3.5Å; D565-C569 PolarHBondContact O-N 3.22Å; D565-C569 PolarHBondContact O-SG 3.27Å; S566-C569 PolarHBondContact O-N 3.14Å; C569-M571 VanDerWaalsContact C-N 3.29Å; C569-M571 PolarHBondContact O-N 3.5Å; C569-V572 PolarHBondContact O-N 3.22Å; C569-Q573 WeakPolarHBondContact O-CG 3.38Å; C569-Q573 PolarHBondContact O-N 2.86Å; C569-Q573 VanDerWaalsContact O-N 3.07Å |
| 570 | Q | 70.4 | Confident | 67.7 | Low | 83 Ų | 83 | 48.9 Ų | 48.9 | 39% | 0.388 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 174 | -73.4 | 176.7 | 8.8 | 0 | 0 | 112.3 | P526 S566 A567 F568 | P526-Q570 HydrophobicContact CG-CB 4.02Å; S566-Q570 VanDerWaalsContact O-CG 3.29Å; S566-Q570 WeakPolarHBondContact O-CG 3.45Å; S566-Q570 PolarHBondContact O-N 3.28Å; A567-Q570 PolarHBondContact O-N 2.98Å; F568-Q570 VanDerWaalsContact C-N 3.3Å; F568-Q570 PolarHBondContact O-N 2.85Å |
| 571 | M | 70.4 | Confident | 67.4 | Low | 9 Ų | 9 | 47.8 Ų | 47.8 | 4% | 0.044 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70 | -41.3 | 174.3 | -68.5 | 171.2 | 60.4 | 0 | 0 | 112.4 | I522 I525 L535 F545 L549 A567 F568 C569 Q573 L574 | I522-M571 HydrophobicContact CG2-SD 3.91Å; I525-M571 HydrophobicContact CD1-CE 4.26Å; I525-M571 HydrophobicContact CD1-SD 4.17Å; I525-M571 HydrophobicContact CG2-CE 4.49Å; I525-M571 HydrophobicContact CG2-CG 4.28Å; L535-M571 HydrophobicContact CD1-CE 3.59Å; L535-M571 HydrophobicContact CD2-CE 3.95Å; L535-M571 HydrophobicContact CG-CE 4.29Å; F545-M571 HydrophobicContact CD1-CE 4.06Å; F545-M571 HydrophobicContact CE1-CE 3.53Å; F545-M571 HydrophobicContact CE1-SD 4.21Å; L549-M571 HydrophobicContact CD1-CE 4.47Å; L549-M571 HydrophobicContact CD1-SD 3.97Å; A567-M571 WeakPolarHBondContact O-CG 3.48Å; A567-M571 PolarHBondContact O-N 3.49Å; A567-M571 VanDerWaalsContact O-N 3.09Å; F568-M571 WeakPolarHBondContact O-CA 3.36Å; F568-M571 WeakPolarHBondContact O-CB 3.45Å; F568-M571 PolarHBondContact O-N 3.36Å; C569-M571 VanDerWaalsContact C-N 3.29Å; C569-M571 PolarHBondContact O-N 3.5Å; M571-Q573 VanDerWaalsContact C-N 3.28Å; M571-Q573 PolarHBondContact O-N 3.23Å; M571-L574 VanDerWaalsContact O-CB 3.28Å; M571-L574 WeakPolarHBondContact O-CB 3.43Å; M571-L574 WeakPolarHBondContact O-CG 3.23Å; M571-L574 PolarHBondContact O-N 3.39Å; M571-L574 VanDerWaalsContact O-N 3.15Å |
| 572 | V | 68.3 | Low | 67.2 | Low | 12 Ų | 12 | 48.8 Ų | 48.8 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -34.3 | 179.4 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | F568 C569 L574 S575 L578 M585 | F568-V572 HydrophobicContact CD1-CG2 3.63Å; F568-V572 HydrophobicContact CE1-CG2 3.34Å; F568-V572 HydrophobicContact CZ-CG2 4.11Å; F568-V572 WeakPolarHBondContact O-CG2 2.98Å; F568-V572 PolarHBondContact O-N 3.38Å; C569-V572 PolarHBondContact O-N 3.22Å; V572-L574 PolarHBondContact O-N 3.42Å; V572-S575 PolarHBondContact O-N 2.87Å; V572-L578 HydrophobicContact CG1-CB 3.48Å; V572-L578 VanDerWaalsContact CG1-CB 3.48Å; V572-L578 HydrophobicContact CG1-CD1 4.16Å; V572-L578 HydrophobicContact CG1-CG 4.43Å; V572-M585 HydrophobicContact CG1-CG 4.4Å |
| 573 | Q | 66.6 | Low | 66.8 | Low | 126 Ų | 126 | 44.1 Ų | 44.1 | 59% | 0.589 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -16.9 | 175 | -76.9 | 179.2 | -3.3 | 0 | 0 | 114 | C569 M571 S575 | C569-Q573 WeakPolarHBondContact O-CG 3.38Å; C569-Q573 PolarHBondContact O-N 2.86Å; C569-Q573 VanDerWaalsContact O-N 3.07Å; M571-Q573 VanDerWaalsContact C-N 3.28Å; M571-Q573 PolarHBondContact O-N 3.23Å; Q573-S575 PolarHBondContact O-N 3.46Å |
| 574 | L | 65 | Low | 66.4 | Low | 74 Ų | 74 | 43.3 Ų | 43.3 | 39% | 0.387 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.7 | 174.7 | -61.6 | 172.4 | 0 | 0 | 0 | 112.6 | P526 L532 M571 V572 | P526-L574 HydrophobicContact CB-CD2 4.46Å; L532-L574 HydrophobicContact CD1-CB 3.52Å; L532-L574 WeakPolarHBondContact CD1-O 3.44Å; L532-L574 HydrophobicContact CG-CB 4.08Å; M571-L574 VanDerWaalsContact O-CB 3.28Å; M571-L574 WeakPolarHBondContact O-CB 3.43Å; M571-L574 WeakPolarHBondContact O-CG 3.23Å; M571-L574 PolarHBondContact O-N 3.39Å; M571-L574 VanDerWaalsContact O-N 3.15Å; V572-L574 PolarHBondContact O-N 3.42Å |
| 575 | S | 63.3 | Low | 66 | Low | 12 Ų | 12 | 43.5 Ų | 43.5 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | trans | -98.6 | 114.7 | -179.9 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | L532 V572 Q573 V577 L578 A579 | L532-S575 VanDerWaalsContact CD1-N 3.28Å; V572-S575 PolarHBondContact O-N 2.87Å; Q573-S575 PolarHBondContact O-N 3.46Å; S575-V577 PolarHBondContact O-N 3.24Å; S575-V577 PolarHBondContact OG-N 2.83Å; S575-L578 PolarHBondContact O-N 2.74Å; S575-L578 PolarHBondContact OG-N 2.84Å; S575-A579 WeakPolarHBondContact O-CB 3.29Å; S575-A579 PolarHBondContact O-N 3.48Å | ||
| 576 | G | 61.6 | Low | 65.7 | Low | 63 Ų | 63 | 46.8 Ų | 46.8 | 65% | 0.649 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 577 | V | 59.4 | Low | 65.1 | Low | 47 Ų | 47 | 45.7 Ų | 45.7 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -56.5 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | S575 A579 H581 Y616 | S575-V577 PolarHBondContact O-N 3.24Å; S575-V577 PolarHBondContact OG-N 2.83Å; V577-A579 VanDerWaalsContact C-N 3.34Å; V577-A579 PolarHBondContact O-N 2.8Å; V577-H581 PolarHBondContact O-CD2 2.72Å; V577-Y616 HydrophobicContact CB-CE2 4.48Å; V577-Y616 HydrophobicContact CG1-CD2 3.2Å; V577-Y616 HydrophobicContact CG1-CE2 3.12Å; V577-Y616 HydrophobicContact CG1-CG 4.39Å |
| 578 | L | 61.2 | Low | 64.6 | Low | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -74.9 | -22.2 | -176.1 | -60.3 | 171.9 | 0 | 0 | 0 | 113.4 | V572 S575 N580 H581 T582 M585 A611 I612 | V572-L578 HydrophobicContact CG1-CB 3.48Å; V572-L578 VanDerWaalsContact CG1-CB 3.48Å; V572-L578 HydrophobicContact CG1-CD1 4.16Å; V572-L578 HydrophobicContact CG1-CG 4.43Å; S575-L578 PolarHBondContact O-N 2.74Å; S575-L578 PolarHBondContact OG-N 2.84Å; L578-N580 PolarHBondContact O-N 3.34Å; L578-H581 CarbonylContact O-C 3.57Å; L578-H581 PolarHBondContact O-N 3.18Å; L578-T582 PolarHBondContact O-N 3.28Å; L578-M585 HydrophobicContact CD1-CE 4.37Å; L578-M585 HydrophobicContact CD2-CE 3.48Å; L578-M585 VanDerWaalsContact CD2-CE 3.48Å; L578-M585 HydrophobicContact CD2-SD 4.05Å; L578-A611 HydrophobicContact CD2-CB 3.87Å; L578-I612 HydrophobicContact CD1-CD1 4.35Å; L578-I612 HydrophobicContact CD1-CG1 4.03Å |
| 579 | A | 64.3 | Low | 64.2 | Low | 32 Ų | 32 | 47.8 Ų | 47.8 | 26% | 0.264 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -58 | -35.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S575 V577 H581 T582 | S575-A579 WeakPolarHBondContact O-CB 3.29Å; S575-A579 PolarHBondContact O-N 3.48Å; V577-A579 VanDerWaalsContact C-N 3.34Å; V577-A579 PolarHBondContact O-N 2.8Å; A579-H581 VanDerWaalsContact C-N 3.26Å; A579-H581 PolarHBondContact O-N 3.27Å; A579-T582 VanDerWaalsContact O-CG2 3.31Å; A579-T582 WeakPolarHBondContact O-CG2 3.23Å; A579-T582 PolarHBondContact O-OG1 3.32Å |
| 580 | N | 63.2 | Low | 63.8 | Low | 130 Ų | 130 | 47.3 Ų | 47.3 | 70% | 0.695 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -73.9 | -18.5 | 177.2 | -67 | -13 | 0 | 0 | 0 | 113.1 | L578 | L578-N580 PolarHBondContact O-N 3.34Š|
| 581 | H | 61.6 | Low | 63.1 | Low | 43 Ų | 43 | 45.7 Ų | 45.7 | 20% | 0.199 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -115.6 | 29.9 | -176 | -60.5 | -87.2 | 0 | 0 | 0 | 111.1 | V577 L578 A579 T583 E584 M585 Y616 | V577-H581 PolarHBondContact O-CD2 2.72Å; L578-H581 CarbonylContact O-C 3.57Å; L578-H581 PolarHBondContact O-N 3.18Å; A579-H581 VanDerWaalsContact C-N 3.26Å; A579-H581 PolarHBondContact O-N 3.27Å; H581-T583 VanDerWaalsContact C-N 3.26Å; H581-T583 PolarHBondContact O-N 2.86Å; H581-E584 HydrophobicContact CB-CB 4.17Å; H581-E584 HydrophobicContact CB-CG 4.4Å; H581-E584 WeakPolarHBondContact CB-OE2 3.46Å; H581-E584 IonicContact CE1-OE1 3.77Å; H581-E584 IonicContact CG-OE1 3.99Å; H581-E584 IonicContact CG-OE2 3.97Å; H581-E584 IonicContact ND1-OE1 3.32Å; H581-E584 PolarHBondContact ND1-OE1 3.08Å; H581-E584 IonicContact ND1-OE2 3.75Å; H581-E584 PolarHBondContact ND1-OE2 2.89Å; H581-E584 WeakPolarHBondContact O-CB 3.28Å; H581-E584 PolarHBondContact O-N 3.3Å; H581-M585 PolarHBondContact O-N 3.42Å; H581-Y616 AromaticContact CD2-CZ 3.86Å; H581-Y616 PolarHBondContact CD2-OH 3.19Å; H581-Y616 PolarHBondContact CE1-OH 3.07Å; H581-Y616 VanDerWaalsContact CG-OH 3.28Å; H581-Y616 PolarHBondContact ND1-OH 3.38Å; H581-Y616 AromaticContact NE2-CE2 3.78Å; H581-Y616 AromaticContact NE2-CZ 3.51Å; H581-Y616 PolarHBondContact NE2-OH 3.02Å |
| 582 | T | 64.4 | Low | 62.4 | Low | 46 Ų | 46 | 46 Ų | 46 | 28% | 0.282 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.4 | -33.9 | -179.9 | 43.4 | 0 | 0 | 0 | 0 | 112.9 | L578 A579 K586 | L578-T582 PolarHBondContact O-N 3.28Å; A579-T582 VanDerWaalsContact O-CG2 3.31Å; A579-T582 WeakPolarHBondContact O-CG2 3.23Å; A579-T582 PolarHBondContact O-OG1 3.32Å; T582-K586 WeakPolarHBondContact O-CG 3.48Å; T582-K586 PolarHBondContact O-N 2.94Å |
| 583 | T | 61.7 | Low | 61.9 | Low | 49 Ų | 49 | 45.5 Ų | 45.5 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.1 | -44.8 | 174.2 | 44.6 | 0 | 0 | 0 | 0 | 111.4 | H581 K586 L587 | H581-T583 VanDerWaalsContact C-N 3.26Å; H581-T583 PolarHBondContact O-N 2.86Å; T583-K586 PolarHBondContact O-N 2.69Å; T583-L587 PolarHBondContact O-N 3.1Å |
| 584 | E | 59.5 | Low | 61.6 | Low | 45 Ų | 45 | 43.3 Ų | 43.3 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.7 | -51.5 | 171.4 | -64.5 | 169.6 | -157.4 | 0 | 0 | 109.6 | H581 K586 L587 W588 | H581-E584 HydrophobicContact CB-CB 4.17Å; H581-E584 HydrophobicContact CB-CG 4.4Å; H581-E584 WeakPolarHBondContact CB-OE2 3.46Å; H581-E584 IonicContact CE1-OE1 3.77Å; H581-E584 IonicContact CG-OE1 3.99Å; H581-E584 IonicContact CG-OE2 3.97Å; H581-E584 IonicContact ND1-OE1 3.32Å; H581-E584 PolarHBondContact ND1-OE1 3.08Å; H581-E584 IonicContact ND1-OE2 3.75Å; H581-E584 PolarHBondContact ND1-OE2 2.89Å; H581-E584 WeakPolarHBondContact O-CB 3.28Å; H581-E584 PolarHBondContact O-N 3.3Å; E584-K586 VanDerWaalsContact C-N 3.29Å; E584-K586 PolarHBondContact O-N 2.87Å; E584-L587 CarbonylContact O-C 3.45Å; E584-L587 WeakPolarHBondContact O-CA 3.42Å; E584-L587 VanDerWaalsContact O-CB 3.25Å; E584-L587 WeakPolarHBondContact O-CB 3.41Å; E584-L587 PolarHBondContact O-N 2.77Å; E584-W588 PolarHBondContact O-N 3.37Å |
| 585 | M | 66.2 | Low | 61.2 | Low | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.2 | -35.3 | -179.6 | -116.6 | 58.5 | -179.5 | 0 | 0 | 113.8 | V572 L578 H581 W588 L589 V608 | V572-M585 HydrophobicContact CG1-CG 4.4Å; L578-M585 HydrophobicContact CD1-CE 4.37Å; L578-M585 HydrophobicContact CD2-CE 3.48Å; L578-M585 VanDerWaalsContact CD2-CE 3.48Å; L578-M585 HydrophobicContact CD2-SD 4.05Å; H581-M585 PolarHBondContact O-N 3.42Å; M585-W588 PolarHBondContact O-N 3.29Å; M585-L589 VanDerWaalsContact O-CG 3.32Å; M585-L589 WeakPolarHBondContact O-CG 3.36Å; M585-L589 PolarHBondContact O-N 2.89Å; M585-V608 HydrophobicContact CE-CG2 3.98Å |
| 586 | K | 64.7 | Low | 60.8 | Low | 101 Ų | 101 | 42.6 Ų | 42.6 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 172 | -78 | 179.1 | 176.9 | -173.5 | 0 | 111.8 | T582 T583 E584 W588 L589 A590 | T582-K586 WeakPolarHBondContact O-CG 3.48Å; T582-K586 PolarHBondContact O-N 2.94Å; T583-K586 PolarHBondContact O-N 2.69Å; E584-K586 VanDerWaalsContact C-N 3.29Å; E584-K586 PolarHBondContact O-N 2.87Å; K586-W588 VanDerWaalsContact C-N 3.31Å; K586-L589 PolarHBondContact O-N 3.21Å; K586-A590 VanDerWaalsContact O-CB 3.28Å; K586-A590 WeakPolarHBondContact O-CB 3.28Å; K586-A590 PolarHBondContact O-N 3.32Å |
| 587 | L | 59.3 | Low | 60.7 | Low | 38 Ų | 38 | 41.5 Ų | 41.5 | 20% | 0.199 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | 174.4 | -141.8 | 139.8 | 0 | 0 | 0 | 110.7 | T583 E584 T591 F643 Q646 | T583-L587 PolarHBondContact O-N 3.1Å; E584-L587 CarbonylContact O-C 3.45Å; E584-L587 WeakPolarHBondContact O-CA 3.42Å; E584-L587 VanDerWaalsContact O-CB 3.25Å; E584-L587 WeakPolarHBondContact O-CB 3.41Å; E584-L587 PolarHBondContact O-N 2.77Å; L587-T591 WeakPolarHBondContact O-CB 3.38Å; L587-T591 VanDerWaalsContact O-CG2 3.28Å; L587-T591 WeakPolarHBondContact O-CG2 3.35Å; L587-T591 PolarHBondContact O-N 3.33Å; L587-T591 VanDerWaalsContact O-N 3.12Å; L587-T591 PolarHBondContact O-OG1 2.95Å; L587-F643 HydrophobicContact CD2-CD2 4.21Å; L587-F643 HydrophobicContact CD2-CE2 3.88Å; L587-Q646 HydrophobicContact CD1-CB 3.81Å; L587-Q646 HydrophobicContact CG-CB 4.14Å |
| 588 | W | 60.9 | Low | 60.8 | Low | 52 Ų | 52 | 43.5 Ų | 43.5 | 20% | 0.197 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.7 | -42.1 | 173.1 | -77.1 | 84.8 | 0 | 0 | 0 | 112.9 | E584 M585 K586 A590 T591 F592 F604 L623 | E584-W588 PolarHBondContact O-N 3.37Å; M585-W588 PolarHBondContact O-N 3.29Å; K586-W588 VanDerWaalsContact C-N 3.31Å; W588-A590 VanDerWaalsContact C-N 3.34Å; W588-A590 PolarHBondContact O-N 3.28Å; W588-T591 VanDerWaalsContact CA-OG1 3.27Å; W588-T591 WeakPolarHBondContact CA-OG1 3.11Å; W588-T591 PolarHBondContact O-N 3.48Å; W588-T591 PolarHBondContact O-OG1 2.91Å; W588-T591 VanDerWaalsContact O-OG1 3.1Å; W588-F592 HydrophobicContact CB-CD2 4.13Å; W588-F592 AromaticContact CD2-CD2 3.85Å; W588-F592 HydrophobicContact CD2-CD2 3.85Å; W588-F592 AromaticContact CD2-CE2 3.49Å; W588-F592 HydrophobicContact CD2-CE2 3.49Å; W588-F592 VanDerWaalsContact CD2-CE2 3.49Å; W588-F592 HydrophobicContact CD2-CZ 4.43Å; W588-F592 AromaticContact CE3-CD2 3.17Å; W588-F592 HydrophobicContact CE3-CD2 3.17Å; W588-F592 HydrophobicContact CE3-CE1 4.49Å; W588-F592 AromaticContact CE3-CE2 2.87Å; W588-F592 HydrophobicContact CE3-CE2 2.87Å; W588-F592 HydrophobicContact CE3-CG 4.15Å; W588-F592 AromaticContact CE3-CZ 3.58Å; W588-F592 HydrophobicContact CE3-CZ 3.58Å; W588-F592 HydrophobicContact CG-CD2 4.3Å; W588-F592 HydrophobicContact CG-CE2 4.24Å; W588-F592 AromaticContact CH2-CE2 3.84Å; W588-F592 HydrophobicContact CH2-CE2 3.84Å; W588-F592 AromaticContact CH2-CZ 3.84Å; W588-F592 HydrophobicContact CH2-CZ 3.84Å; W588-F592 HydrophobicContact CZ2-CE2 4.39Å; W588-F592 AromaticContact CZ3-CD2 3.75Å; W588-F592 HydrophobicContact CZ3-CD2 3.75Å; W588-F592 HydrophobicContact CZ3-CE1 4.1Å; W588-F592 AromaticContact CZ3-CE2 3.06Å; W588-F592 HydrophobicContact CZ3-CE2 3.06Å; W588-F592 AromaticContact CZ3-CZ 3.2Å; W588-F592 HydrophobicContact CZ3-CZ 3.2Å; W588-F592 WeakPolarHBondContact O-CB 3.3Å; W588-F592 VanDerWaalsContact O-CD2 3.31Å; W588-F592 WeakPolarHBondContact O-CD2 3.43Å; W588-F592 PolarHBondContact O-N 3.36Å; W588-F604 HydrophobicContact CB-CE2 3.93Å; W588-F604 HydrophobicContact CE3-CD2 4.48Å; W588-L623 HydrophobicContact CH2-CD2 4.03Å; W588-L623 HydrophobicContact CZ2-CD2 3.68Å |
| 589 | L | 66.5 | Low | 60.7 | Low | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -62 | -43.9 | 174.1 | -74.2 | 166.2 | 0 | 0 | 0 | 111.1 | F568 M585 K586 T591 A593 Y594 F604 | F568-L589 HydrophobicContact CD1-CD1 3.51Å; F568-L589 HydrophobicContact CD1-CD2 4.06Å; F568-L589 HydrophobicContact CD1-CG 4.3Å; F568-L589 HydrophobicContact CE1-CD1 3.79Å; F568-L589 HydrophobicContact CE1-CD2 3.81Å; F568-L589 HydrophobicContact CE1-CG 4.13Å; F568-L589 HydrophobicContact CE2-CD2 4.48Å; F568-L589 HydrophobicContact CG-CD1 4.32Å; F568-L589 HydrophobicContact CG-CD2 4.49Å; F568-L589 HydrophobicContact CZ-CD2 4.05Å; M585-L589 VanDerWaalsContact O-CG 3.32Å; M585-L589 WeakPolarHBondContact O-CG 3.36Å; M585-L589 PolarHBondContact O-N 2.89Å; K586-L589 PolarHBondContact O-N 3.21Å; L589-T591 PolarHBondContact O-N 3.16Å; L589-A593 HydrophobicContact CD2-CB 3.87Å; L589-A593 WeakPolarHBondContact O-CB 3.25Å; L589-A593 PolarHBondContact O-N 3.31Å; L589-Y594 VanDerWaalsContact O-CD2 3.29Å; L589-Y594 WeakPolarHBondContact O-CD2 3.4Å; L589-F604 HydrophobicContact CD2-CE1 4.01Å; L589-F604 HydrophobicContact CD2-CZ 3.92Å; L589-F604 HydrophobicContact CG-CZ 4.34Å |
| 590 | A | 60.8 | Low | 60.4 | Low | 17 Ų | 17 | 46.7 Ų | 46.7 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -58.8 | -34.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K586 W588 V642 | K586-A590 VanDerWaalsContact O-CB 3.28Å; K586-A590 WeakPolarHBondContact O-CB 3.28Å; K586-A590 PolarHBondContact O-N 3.32Å; W588-A590 VanDerWaalsContact C-N 3.34Å; W588-A590 PolarHBondContact O-N 3.28Å; A590-V642 HydrophobicContact CB-CG1 4.29Å |
| 591 | T | 56.4 | Low | 60.6 | Low | 50 Ų | 50 | 41.4 Ų | 41.4 | 31% | 0.307 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -93 | -37.7 | -176.2 | 46.4 | 0 | 0 | 0 | 0 | 114.1 | L587 W588 L589 F643 | L587-T591 WeakPolarHBondContact O-CB 3.38Å; L587-T591 VanDerWaalsContact O-CG2 3.28Å; L587-T591 WeakPolarHBondContact O-CG2 3.35Å; L587-T591 PolarHBondContact O-N 3.33Å; L587-T591 VanDerWaalsContact O-N 3.12Å; L587-T591 PolarHBondContact O-OG1 2.95Å; W588-T591 VanDerWaalsContact CA-OG1 3.27Å; W588-T591 WeakPolarHBondContact CA-OG1 3.11Å; W588-T591 PolarHBondContact O-N 3.48Å; W588-T591 PolarHBondContact O-OG1 2.91Å; W588-T591 VanDerWaalsContact O-OG1 3.1Å; L589-T591 PolarHBondContact O-N 3.16Å; T591-F643 HydrophobicContact CG2-CD2 4.31Å |
| 592 | F | 56.6 | Low | 60.8 | Low | 15 Ų | 15 | 43.9 Ų | 43.9 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -109.7 | -35.2 | -171 | -62.7 | -80.6 | 0 | 0 | 0 | 114.5 | W588 V600 F604 W633 | W588-F592 HydrophobicContact CB-CD2 4.13Å; W588-F592 AromaticContact CD2-CD2 3.85Å; W588-F592 HydrophobicContact CD2-CD2 3.85Å; W588-F592 AromaticContact CD2-CE2 3.49Å; W588-F592 HydrophobicContact CD2-CE2 3.49Å; W588-F592 VanDerWaalsContact CD2-CE2 3.49Å; W588-F592 HydrophobicContact CD2-CZ 4.43Å; W588-F592 AromaticContact CE3-CD2 3.17Å; W588-F592 HydrophobicContact CE3-CD2 3.17Å; W588-F592 HydrophobicContact CE3-CE1 4.49Å; W588-F592 AromaticContact CE3-CE2 2.87Å; W588-F592 HydrophobicContact CE3-CE2 2.87Å; W588-F592 HydrophobicContact CE3-CG 4.15Å; W588-F592 AromaticContact CE3-CZ 3.58Å; W588-F592 HydrophobicContact CE3-CZ 3.58Å; W588-F592 HydrophobicContact CG-CD2 4.3Å; W588-F592 HydrophobicContact CG-CE2 4.24Å; W588-F592 AromaticContact CH2-CE2 3.84Å; W588-F592 HydrophobicContact CH2-CE2 3.84Å; W588-F592 AromaticContact CH2-CZ 3.84Å; W588-F592 HydrophobicContact CH2-CZ 3.84Å; W588-F592 HydrophobicContact CZ2-CE2 4.39Å; W588-F592 AromaticContact CZ3-CD2 3.75Å; W588-F592 HydrophobicContact CZ3-CD2 3.75Å; W588-F592 HydrophobicContact CZ3-CE1 4.1Å; W588-F592 AromaticContact CZ3-CE2 3.06Å; W588-F592 HydrophobicContact CZ3-CE2 3.06Å; W588-F592 AromaticContact CZ3-CZ 3.2Å; W588-F592 HydrophobicContact CZ3-CZ 3.2Å; W588-F592 WeakPolarHBondContact O-CB 3.3Å; W588-F592 VanDerWaalsContact O-CD2 3.31Å; W588-F592 WeakPolarHBondContact O-CD2 3.43Å; W588-F592 PolarHBondContact O-N 3.36Å; F592-V600 HydrophobicContact CB-CG1 3.64Å; F592-V600 HydrophobicContact CD1-CG1 3.61Å; F592-V600 HydrophobicContact CG-CG1 4.11Å; F592-V600 WeakPolarHBondContact O-CG1 3.25Å; F592-F604 HydrophobicContact CB-CD2 4.47Å; F592-W633 HydrophobicContact CD1-CZ3 4.28Å; F592-W633 HydrophobicContact CE1-CE3 4.3Å; F592-W633 AromaticContact CE1-CH2 3.37Å; F592-W633 HydrophobicContact CE1-CH2 3.37Å; F592-W633 HydrophobicContact CE1-CZ2 4.21Å; F592-W633 AromaticContact CE1-CZ3 3.39Å; F592-W633 HydrophobicContact CE1-CZ3 3.39Å; F592-W633 HydrophobicContact CE2-CH2 4.46Å; F592-W633 HydrophobicContact CE2-CZ3 4.44Å; F592-W633 AromaticContact CZ-CH2 3.31Å; F592-W633 HydrophobicContact CZ-CH2 3.31Å; F592-W633 HydrophobicContact CZ-CZ2 4.38Å; F592-W633 AromaticContact CZ-CZ3 3.52Å; F592-W633 HydrophobicContact CZ-CZ3 3.52Å |
| 593 | A | 57.2 | Low | 60.7 | Low | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -78.9 | -37 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L550 L589 A595 | L550-A593 HydrophobicContact CD2-CB 4.25Å; L589-A593 HydrophobicContact CD2-CB 3.87Å; L589-A593 WeakPolarHBondContact O-CB 3.25Å; L589-A593 PolarHBondContact O-N 3.31Å; A593-A595 VanDerWaalsContact C-N 3.31Å; A593-A595 PolarHBondContact O-N 3.47Å |
| 594 | Y | 60.3 | Low | 61 | Low | 80 Ų | 80 | 41.1 Ų | 41.1 | 31% | 0.314 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -21 | 176.7 | -67.8 | -74.8 | 0 | 0 | 0 | 113.8 | Y553 L561 D565 L589 G596 | Y553-Y594 HydrophobicContact CD1-CE1 4.22Å; L561-Y594 HydrophobicContact CD1-CE1 4.3Å; L561-Y594 HydrophobicContact CD2-CE1 4.18Å; D565-Y594 PolarHBondContact OD2-OH 3.07Å; D565-Y594 VanDerWaalsContact OD2-OH 3.09Å; L589-Y594 VanDerWaalsContact O-CD2 3.29Å; L589-Y594 WeakPolarHBondContact O-CD2 3.4Å; Y594-G596 PolarHBondContact O-N 3.44Å |
| 595 | A | 55.7 | Low | 61.5 | Low | 26 Ų | 26 | 39.8 Ų | 39.8 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 4.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A593 S597 P634 | A593-A595 VanDerWaalsContact C-N 3.31Å; A593-A595 PolarHBondContact O-N 3.47Å; A595-S597 PolarHBondContact O-N 3.09Å; A595-P634 HydrophobicContact CB-CG 3.78Å |
| 596 | G | 54.9 | Low | 61.5 | Low | 45 Ų | 45 | 45.7 Ų | 45.7 | 46% | 0.464 | 25% | 0.247 | S | C | . | . | trans | 66.6 | -10.7 | 167 | 0 | 0 | 0 | 0 | 0 | 117.5 | Y594 | Y594-G596 PolarHBondContact O-N 3.44Š| ||
| 597 | S | 59.8 | Low | 61.4 | Low | 39 Ų | 39 | 41.7 Ų | 41.7 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | trans | -94.7 | 130 | -173.1 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | A595 V600 R601 | A595-S597 PolarHBondContact O-N 3.09Å; S597-V600 PolarHBondContact O-N 2.95Å; S597-V600 VanDerWaalsContact OG-CB 3.3Å; S597-V600 WeakPolarHBondContact OG-CB 3.1Å; S597-V600 WeakPolarHBondContact OG-CG2 3.42Å; S597-R601 PolarHBondContact O-N 3.47Å; S597-R601 VanDerWaalsContact O-N 3.15Å | ||
| 598 | D | 62.6 | Low | 61.9 | Low | 90 Ų | 90 | 40.3 Ų | 40.3 | 48% | 0.481 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.9 | -39.3 | 178.4 | -79.4 | -17.9 | 0 | 0 | 0 | 114.7 | V600 R601 E602 | D598-V600 VanDerWaalsContact C-N 3.27Å; D598-V600 PolarHBondContact O-N 2.86Å; D598-R601 PolarHBondContact O-N 3.47Å; D598-R601 IonicContact OD1-NH1 3.39Å; D598-R601 PolarHBondContact OD1-NH1 3.06Å; D598-E602 PolarHBondContact O-N 3.11Å |
| 599 | P | 57.6 | Low | 62.2 | Low | 84 Ų | 84 | 41.7 Ų | 41.7 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.1 | -36.4 | 177.3 | -19.7 | 31.2 | 0 | 0 | 0 | 112.5 | C603 | P599-C603 WeakPolarHBondContact O-CB 3.37Å; P599-C603 PolarHBondContact O-N 3.32Å |
| 600 | V | 59.3 | Low | 62.1 | Low | 18 Ų | 18 | 42 Ų | 42 | 11% | 0.109 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71 | -41.8 | 179.1 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | F592 S597 D598 C603 F604 | F592-V600 HydrophobicContact CB-CG1 3.64Å; F592-V600 HydrophobicContact CD1-CG1 3.61Å; F592-V600 HydrophobicContact CG-CG1 4.11Å; F592-V600 WeakPolarHBondContact O-CG1 3.25Å; S597-V600 PolarHBondContact O-N 2.95Å; S597-V600 VanDerWaalsContact OG-CB 3.3Å; S597-V600 WeakPolarHBondContact OG-CB 3.1Å; S597-V600 WeakPolarHBondContact OG-CG2 3.42Å; D598-V600 VanDerWaalsContact C-N 3.27Å; D598-V600 PolarHBondContact O-N 2.86Å; V600-C603 WeakPolarHBondContact O-CB 3.5Å; V600-C603 PolarHBondContact O-N 3.47Å; V600-F604 PolarHBondContact O-N 3.41Å |
| 601 | R | 66.8 | Low | 62.2 | Low | 18 Ų | 18 | 41.3 Ų | 41.3 | 7% | 0.068 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 174.1 | -66.5 | 174.5 | -175 | 155.8 | -5.4 | 111.9 | L550 E554 S597 D598 C603 F604 E605 | L550-R601 HydrophobicContact CD1-CB 4.42Å; E554-R601 IonicContact OE1-CZ 2.73Å; E554-R601 IonicContact OE1-NH1 2.75Å; E554-R601 PolarHBondContact OE1-NH1 3Å; E554-R601 IonicContact OE1-NH2 2.85Å; E554-R601 PolarHBondContact OE1-NH2 2.63Å; S597-R601 PolarHBondContact O-N 3.47Å; S597-R601 VanDerWaalsContact O-N 3.15Å; D598-R601 PolarHBondContact O-N 3.47Å; D598-R601 IonicContact OD1-NH1 3.39Å; D598-R601 PolarHBondContact OD1-NH1 3.06Å; R601-C603 VanDerWaalsContact C-N 3.32Å; R601-C603 PolarHBondContact O-N 3.24Å; R601-F604 PolarHBondContact O-N 3.33Å; R601-E605 WeakPolarHBondContact O-CB 3.33Å; R601-E605 PolarHBondContact O-N 3.12Å |
| 602 | E | 65 | Low | 62.6 | Low | 96 Ų | 96 | 40.3 Ų | 40.3 | 45% | 0.449 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.6 | -36.6 | 174.1 | -75.3 | -164.2 | 171.4 | 0 | 0 | 112.4 | D598 K606 | D598-E602 PolarHBondContact O-N 3.11Å; E602-K606 WeakPolarHBondContact O-CB 3.49Å; E602-K606 VanDerWaalsContact O-CG 3.23Å; E602-K606 WeakPolarHBondContact O-CG 3.39Å; E602-K606 PolarHBondContact O-N 3.5Å |
| 603 | C | 62.2 | Low | 62.9 | Low | 33 Ų | 33 | 42.5 Ų | 42.5 | 22% | 0.223 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -48.9 | 173.8 | -170.8 | 0 | 0 | 0 | 0 | 110.7 | P599 V600 R601 E605 K606 V607 | P599-C603 WeakPolarHBondContact O-CB 3.37Å; P599-C603 PolarHBondContact O-N 3.32Å; V600-C603 WeakPolarHBondContact O-CB 3.5Å; V600-C603 PolarHBondContact O-N 3.47Å; R601-C603 VanDerWaalsContact C-N 3.32Å; R601-C603 PolarHBondContact O-N 3.24Å; C603-E605 VanDerWaalsContact C-N 3.33Å; C603-E605 PolarHBondContact O-N 3.26Å; C603-K606 CarbonylContact O-C 3.58Å; C603-K606 WeakPolarHBondContact O-CA 3.2Å; C603-K606 WeakPolarHBondContact O-CB 3.2Å; C603-K606 PolarHBondContact O-N 3.06Å; C603-V607 WeakPolarHBondContact O-CG2 3.01Å; C603-V607 PolarHBondContact O-N 2.79Å |
| 604 | F | 68 | Low | 62.8 | Low | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 176.8 | -173.3 | -106.9 | 0 | 0 | 0 | 111.7 | L550 F568 W588 L589 F592 V600 R601 K606 V607 V608 | L550-F604 HydrophobicContact CD1-CD1 3.98Å; L550-F604 HydrophobicContact CD2-CD1 4Å; L550-F604 HydrophobicContact CD2-CE1 4.16Å; F568-F604 HydrophobicContact CE1-CZ 4.43Å; F568-F604 AromaticContact CZ-CE1 3.81Å; F568-F604 HydrophobicContact CZ-CE1 3.81Å; F568-F604 HydrophobicContact CZ-CZ 4.11Å; W588-F604 HydrophobicContact CB-CE2 3.93Å; W588-F604 HydrophobicContact CE3-CD2 4.48Å; L589-F604 HydrophobicContact CD2-CE1 4.01Å; L589-F604 HydrophobicContact CD2-CZ 3.92Å; L589-F604 HydrophobicContact CG-CZ 4.34Å; F592-F604 HydrophobicContact CB-CD2 4.47Å; V600-F604 PolarHBondContact O-N 3.41Å; R601-F604 PolarHBondContact O-N 3.33Å; F604-K606 VanDerWaalsContact C-N 3.31Å; F604-K606 PolarHBondContact O-N 3.1Å; F604-V607 PolarHBondContact O-N 2.98Å; F604-V608 HydrophobicContact CD1-CG2 4.17Å; F604-V608 HydrophobicContact CD2-CG2 4.38Å; F604-V608 HydrophobicContact CE1-CG2 3.83Å; F604-V608 HydrophobicContact CE2-CG2 4.04Å; F604-V608 HydrophobicContact CG-CG2 4.44Å; F604-V608 HydrophobicContact CZ-CG2 3.76Å; F604-V608 WeakPolarHBondContact O-CB 3.11Å; F604-V608 VanDerWaalsContact O-CG2 3.29Å; F604-V608 WeakPolarHBondContact O-CG2 3.26Å; F604-V608 PolarHBondContact O-N 3.38Å |
| 605 | E | 69.8 | Low | 62.5 | Low | 18 Ų | 18 | 48 Ų | 48 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.2 | -43.7 | 171.7 | -170.2 | -168.6 | 171.5 | 0 | 0 | 111.1 | V536 K538 S544 L546 R601 C603 H609 | V536-E605 HydrophobicContact CG1-CG 4.25Å; K538-E605 WeakPolarHBondContact CE-OE1 3.34Å; K538-E605 IonicContact NZ-OE2 3.74Å; S544-E605 WeakPolarHBondContact CB-OE1 3.43Å; S544-E605 VanDerWaalsContact OG-CD 3.23Å; S544-E605 PolarHBondContact OG-OE1 2.71Å; L546-E605 HydrophobicContact CD2-CG 4.26Å; R601-E605 WeakPolarHBondContact O-CB 3.33Å; R601-E605 PolarHBondContact O-N 3.12Å; C603-E605 VanDerWaalsContact C-N 3.33Å; C603-E605 PolarHBondContact O-N 3.26Å; E605-H609 WeakPolarHBondContact O-CB 3.22Å; E605-H609 PolarHBondContact O-N 2.75Å |
| 606 | K | 66.3 | Low | 62.3 | Low | 129 Ų | 129 | 50 Ų | 50 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.4 | -40.4 | 176.8 | -73.8 | 168 | -172.8 | 167.9 | 0 | 113 | E602 C603 F604 H609 A610 | E602-K606 WeakPolarHBondContact O-CB 3.49Å; E602-K606 VanDerWaalsContact O-CG 3.23Å; E602-K606 WeakPolarHBondContact O-CG 3.39Å; E602-K606 PolarHBondContact O-N 3.5Å; C603-K606 CarbonylContact O-C 3.58Å; C603-K606 WeakPolarHBondContact O-CA 3.2Å; C603-K606 WeakPolarHBondContact O-CB 3.2Å; C603-K606 PolarHBondContact O-N 3.06Å; F604-K606 VanDerWaalsContact C-N 3.31Å; F604-K606 PolarHBondContact O-N 3.1Å; K606-H609 WeakPolarHBondContact O-CB 3.49Å; K606-H609 PolarHBondContact O-N 2.79Å; K606-A610 WeakPolarHBondContact O-CB 3.08Å; K606-A610 PolarHBondContact O-N 3.38Å |
| 607 | V | 64.4 | Low | 62.2 | Low | 17 Ų | 17 | 51.8 Ų | 51.8 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.6 | -48.4 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | C603 F604 H609 A610 A611 Y619 | C603-V607 WeakPolarHBondContact O-CG2 3.01Å; C603-V607 PolarHBondContact O-N 2.79Å; F604-V607 PolarHBondContact O-N 2.98Å; V607-H609 VanDerWaalsContact C-N 3.35Å; V607-H609 PolarHBondContact O-N 2.82Å; V607-A610 PolarHBondContact O-N 2.89Å; V607-A611 WeakPolarHBondContact O-CB 3.23Å; V607-A611 PolarHBondContact O-N 3.32Å; V607-Y619 HydrophobicContact CG1-CD2 4.42Å; V607-Y619 HydrophobicContact CG1-CE2 4.09Å |
| 608 | V | 68.2 | Low | 61.6 | Low | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.055 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.1 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | V536 L546 M585 F604 A610 A611 I612 | V536-V608 HydrophobicContact CG2-CG1 4.31Å; L546-V608 HydrophobicContact CD2-CB 3.95Å; L546-V608 HydrophobicContact CD2-CG1 3.73Å; M585-V608 HydrophobicContact CE-CG2 3.98Å; F604-V608 HydrophobicContact CD1-CG2 4.17Å; F604-V608 HydrophobicContact CD2-CG2 4.38Å; F604-V608 HydrophobicContact CE1-CG2 3.83Å; F604-V608 HydrophobicContact CE2-CG2 4.04Å; F604-V608 HydrophobicContact CG-CG2 4.44Å; F604-V608 HydrophobicContact CZ-CG2 3.76Å; F604-V608 WeakPolarHBondContact O-CB 3.11Å; F604-V608 VanDerWaalsContact O-CG2 3.29Å; F604-V608 WeakPolarHBondContact O-CG2 3.26Å; F604-V608 PolarHBondContact O-N 3.38Å; V608-A610 VanDerWaalsContact C-N 3.35Å; V608-A610 PolarHBondContact O-N 3.49Å; V608-A611 PolarHBondContact O-N 3.44Å; V608-I612 HydrophobicContact CG1-CD1 3.6Å; V608-I612 HydrophobicContact CG1-CG1 4.46Å; V608-I612 WeakPolarHBondContact O-CB 3.44Å; V608-I612 VanDerWaalsContact O-CG1 3.32Å; V608-I612 WeakPolarHBondContact O-CG1 3.35Å; V608-I612 PolarHBondContact O-N 3.37Å |
| 609 | H | 67.7 | Low | 61.1 | Low | 82 Ų | 82 | 54 Ų | 54 | 38% | 0.38 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 173 | -174.9 | -82.2 | 0 | 0 | 0 | 111.8 | V536 E605 K606 V607 C613 | V536-H609 HydrophobicContact CG1-CB 3.52Å; E605-H609 WeakPolarHBondContact O-CB 3.22Å; E605-H609 PolarHBondContact O-N 2.75Å; K606-H609 WeakPolarHBondContact O-CB 3.49Å; K606-H609 PolarHBondContact O-N 2.79Å; V607-H609 VanDerWaalsContact C-N 3.35Å; V607-H609 PolarHBondContact O-N 2.82Å; H609-C613 VanDerWaalsContact O-CB 3.26Å; H609-C613 WeakPolarHBondContact O-CB 3.44Å; H609-C613 PolarHBondContact O-N 3.08Å; H609-C613 PolarHBondContact O-SG 3.26Å |
| 610 | A | 63.9 | Low | 60.7 | Low | 10 Ų | 10 | 55.5 Ų | 55.5 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | K606 V607 V608 I612 C613 S614 L622 | K606-A610 WeakPolarHBondContact O-CB 3.08Å; K606-A610 PolarHBondContact O-N 3.38Å; V607-A610 PolarHBondContact O-N 2.89Å; V608-A610 VanDerWaalsContact C-N 3.35Å; V608-A610 PolarHBondContact O-N 3.49Å; A610-I612 VanDerWaalsContact C-N 3.28Å; A610-I612 PolarHBondContact O-N 3.06Å; A610-C613 PolarHBondContact O-N 3.4Å; A610-S614 WeakPolarHBondContact O-CB 3.12Å; A610-S614 PolarHBondContact O-N 2.81Å; A610-S614 PolarHBondContact O-OG 3.49Å; A610-L622 HydrophobicContact CB-CD1 3.19Å |
| 611 | A | 62.9 | Low | 60.2 | Low | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.9 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L578 V607 V608 Y619 | L578-A611 HydrophobicContact CD2-CB 3.87Å; V607-A611 WeakPolarHBondContact O-CB 3.23Å; V607-A611 PolarHBondContact O-N 3.32Å; V608-A611 PolarHBondContact O-N 3.44Å; A611-Y619 HydrophobicContact CB-CD2 3.95Å; A611-Y619 HydrophobicContact CB-CE2 4.39Å |
| 612 | I | 64.4 | Low | 59.2 | Low | 29 Ų | 29 | 61.4 Ų | 61.4 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.1 | -44.4 | 179.4 | -68.8 | 166.3 | 0 | 0 | 0 | 112 | L532 V533 V536 L578 V608 A610 | L532-I612 HydrophobicContact CB-CD1 4.32Å; L532-I612 HydrophobicContact CB-CG2 3.98Å; L532-I612 HydrophobicContact CD2-CD1 3.64Å; L532-I612 HydrophobicContact CD2-CG1 4.3Å; V533-I612 HydrophobicContact CG2-CG2 3.95Å; V536-I612 HydrophobicContact CG2-CD1 3.68Å; L578-I612 HydrophobicContact CD1-CD1 4.35Å; L578-I612 HydrophobicContact CD1-CG1 4.03Å; V608-I612 HydrophobicContact CG1-CD1 3.6Å; V608-I612 HydrophobicContact CG1-CG1 4.46Å; V608-I612 WeakPolarHBondContact O-CB 3.44Å; V608-I612 VanDerWaalsContact O-CG1 3.32Å; V608-I612 WeakPolarHBondContact O-CG1 3.35Å; V608-I612 PolarHBondContact O-N 3.37Å; A610-I612 VanDerWaalsContact C-N 3.28Å; A610-I612 PolarHBondContact O-N 3.06Å |
| 613 | C | 63.9 | Low | 58.5 | Low | 61 Ų | 61 | 60 Ų | 60 | 41% | 0.412 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -86.7 | -21 | -171.6 | -68.3 | 0 | 0 | 0 | 0 | 115.2 | H609 A610 | H609-C613 VanDerWaalsContact O-CB 3.26Å; H609-C613 WeakPolarHBondContact O-CB 3.44Å; H609-C613 PolarHBondContact O-N 3.08Å; H609-C613 PolarHBondContact O-SG 3.26Å; A610-C613 PolarHBondContact O-N 3.4Å |
| 614 | S | 55.3 | Low | 57.6 | Low | 25 Ų | 25 | 66.3 Ų | 66.3 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -122.1 | 17 | -166.4 | 65.1 | 0 | 0 | 0 | 0 | 116.9 | A610 Y616 R618 | A610-S614 WeakPolarHBondContact O-CB 3.12Å; A610-S614 PolarHBondContact O-N 2.81Å; A610-S614 PolarHBondContact O-OG 3.49Å; S614-Y616 PolarHBondContact O-N 3.23Å; S614-R618 WeakPolarHBondContact OG-CB 3.5Å |
| 615 | Q | 53.5 | Low | 56.4 | Low | 172 Ų | 172 | 68.6 Ų | 68.6 | 80% | 0.804 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 54.4 | 169.3 | -63.3 | -177.5 | -10.5 | 0 | 0 | 113.6 | S617 | Q615-S617 VanDerWaalsContact C-N 3.31Å; Q615-S617 PolarHBondContact O-N 2.85Å |
| 616 | Y | 51.2 | Low | 55.2 | Low | 68 Ų | 68 | 69.4 Ų | 69.4 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | -35 | 172.1 | -112.8 | -70.2 | 0 | 0 | 0 | 119.2 | V577 H581 S614 R618 Y619 E620 | V577-Y616 HydrophobicContact CB-CE2 4.48Å; V577-Y616 HydrophobicContact CG1-CD2 3.2Å; V577-Y616 HydrophobicContact CG1-CE2 3.12Å; V577-Y616 HydrophobicContact CG1-CG 4.39Å; H581-Y616 AromaticContact CD2-CZ 3.86Å; H581-Y616 PolarHBondContact CD2-OH 3.19Å; H581-Y616 PolarHBondContact CE1-OH 3.07Å; H581-Y616 VanDerWaalsContact CG-OH 3.28Å; H581-Y616 PolarHBondContact ND1-OH 3.38Å; H581-Y616 AromaticContact NE2-CE2 3.78Å; H581-Y616 AromaticContact NE2-CZ 3.51Å; H581-Y616 PolarHBondContact NE2-OH 3.02Å; S614-Y616 PolarHBondContact O-N 3.23Å; Y616-R618 PolarHBondContact O-N 3.21Å; Y616-Y619 AromaticContact CD1-CD1 3.63Å; Y616-Y619 HydrophobicContact CD1-CD1 3.63Å; Y616-Y619 HydrophobicContact CD1-CE1 4.39Å; Y616-Y619 HydrophobicContact CD1-CG 4.26Å; Y616-Y619 AromaticContact CE1-CD1 3.21Å; Y616-Y619 HydrophobicContact CE1-CD1 3.21Å; Y616-Y619 AromaticContact CE1-CE1 3.52Å; Y616-Y619 HydrophobicContact CE1-CE1 3.52Å; Y616-Y619 HydrophobicContact CE1-CG 4.11Å; Y616-Y619 WeakPolarHBondContact O-CA 3.29Å; Y616-Y619 VanDerWaalsContact O-CB 3.29Å; Y616-Y619 WeakPolarHBondContact O-CB 3.5Å; Y616-Y619 PolarHBondContact O-N 3.21Å; Y616-E620 PolarHBondContact O-N 3.03Å |
| 617 | S | 53.3 | Low | 54.2 | Low | 83 Ų | 83 | 70.8 Ų | 70.8 | 58% | 0.58 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58 | -46.1 | -176 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | Q615 Y619 D621 | Q615-S617 VanDerWaalsContact C-N 3.31Å; Q615-S617 PolarHBondContact O-N 2.85Å; S617-Y619 VanDerWaalsContact C-N 3.28Å; S617-Y619 PolarHBondContact O-N 3.4Å; S617-D621 PolarHBondContact O-N 2.89Å |
| 618 | R | 48.2 | Very low | 52.9 | Low | 166 Ų | 166 | 75.8 Ų | 75.8 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -73.1 | -16.7 | 174.7 | -105.8 | -178.2 | -177 | 179.9 | -0.1 | 113.7 | S614 Y616 L622 | S614-R618 WeakPolarHBondContact OG-CB 3.5Å; Y616-R618 PolarHBondContact O-N 3.21Å; R618-L622 WeakPolarHBondContact O-CB 3.5Å; R618-L622 WeakPolarHBondContact O-CD1 3.39Å; R618-L622 WeakPolarHBondContact O-CG 3.36Å; R618-L622 PolarHBondContact O-N 3.11Å |
| 619 | Y | 50.8 | Low | 51.6 | Low | 10 Ų | 10 | 77.6 Ų | 77.6 | 4% | 0.039 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -73.2 | -42.9 | 176.7 | 176.2 | -97.9 | 0 | 0 | 0 | 110.4 | V607 A611 Y616 S617 L622 L623 | V607-Y619 HydrophobicContact CG1-CD2 4.42Å; V607-Y619 HydrophobicContact CG1-CE2 4.09Å; A611-Y619 HydrophobicContact CB-CD2 3.95Å; A611-Y619 HydrophobicContact CB-CE2 4.39Å; Y616-Y619 AromaticContact CD1-CD1 3.63Å; Y616-Y619 HydrophobicContact CD1-CD1 3.63Å; Y616-Y619 HydrophobicContact CD1-CE1 4.39Å; Y616-Y619 HydrophobicContact CD1-CG 4.26Å; Y616-Y619 AromaticContact CE1-CD1 3.21Å; Y616-Y619 HydrophobicContact CE1-CD1 3.21Å; Y616-Y619 AromaticContact CE1-CE1 3.52Å; Y616-Y619 HydrophobicContact CE1-CE1 3.52Å; Y616-Y619 HydrophobicContact CE1-CG 4.11Å; Y616-Y619 WeakPolarHBondContact O-CA 3.29Å; Y616-Y619 VanDerWaalsContact O-CB 3.29Å; Y616-Y619 WeakPolarHBondContact O-CB 3.5Å; Y616-Y619 PolarHBondContact O-N 3.21Å; S617-Y619 VanDerWaalsContact C-N 3.28Å; S617-Y619 PolarHBondContact O-N 3.4Å; Y619-L622 PolarHBondContact O-N 3.09Å; Y619-L623 HydrophobicContact CD1-CD1 3.65Å; Y619-L623 HydrophobicContact CD1-CG 4.37Å; Y619-L623 HydrophobicContact CE1-CD1 3.37Å; Y619-L623 HydrophobicContact CE1-CG 4.25Å; Y619-L623 HydrophobicContact CG-CD1 4.41Å; Y619-L623 WeakPolarHBondContact O-CB 3.38Å; Y619-L623 WeakPolarHBondContact O-CG 3.39Å; Y619-L623 PolarHBondContact O-N 3.33Å |
| 620 | E | 50.3 | Low | 50.2 | Low | 115 Ų | 115 | 82.6 Ų | 82.6 | 54% | 0.537 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 170.4 | -79.9 | -167.4 | 163.7 | 0 | 0 | 112.1 | Y616 L622 L623 R624 | Y616-E620 PolarHBondContact O-N 3.03Å; E620-L622 VanDerWaalsContact C-N 3.33Å; E620-L622 PolarHBondContact O-N 2.63Å; E620-L623 PolarHBondContact O-N 2.92Å; E620-R624 WeakPolarHBondContact O-CG 3.47Å; E620-R624 PolarHBondContact O-N 3.29Å |
| 621 | D | 48.2 | Very low | 49.3 | Very low | 94 Ų | 94 | 85.4 Ų | 85.4 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65 | -36.3 | 176.7 | -72.4 | -26.8 | 0 | 0 | 0 | 112.2 | S617 R624 S625 | S617-D621 PolarHBondContact O-N 2.89Å; D621-R624 PolarHBondContact O-N 3.05Å; D621-S625 WeakPolarHBondContact O-CB 3.48Å; D621-S625 PolarHBondContact O-N 3.15Å |
| 622 | L | 46.1 | Very low | 48.1 | Very low | 65 Ų | 65 | 90.7 Ų | 90.7 | 34% | 0.34 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.2 | -37.4 | 174.7 | -89.5 | 156 | 0 | 0 | 0 | 111.9 | A610 R618 Y619 E620 R624 S625 A626 | A610-L622 HydrophobicContact CB-CD1 3.19Å; R618-L622 WeakPolarHBondContact O-CB 3.5Å; R618-L622 WeakPolarHBondContact O-CD1 3.39Å; R618-L622 WeakPolarHBondContact O-CG 3.36Å; R618-L622 PolarHBondContact O-N 3.11Å; Y619-L622 PolarHBondContact O-N 3.09Å; E620-L622 VanDerWaalsContact C-N 3.33Å; E620-L622 PolarHBondContact O-N 2.63Å; L622-R624 VanDerWaalsContact C-N 3.31Å; L622-S625 VanDerWaalsContact CA-OG 3.25Å; L622-S625 WeakPolarHBondContact CA-OG 3.24Å; L622-S625 CarbonylContact O-C 3.56Å; L622-S625 PolarHBondContact O-N 3.41Å; L622-S625 PolarHBondContact O-OG 3.29Å; L622-A626 PolarHBondContact O-N 3.34Å |
| 623 | L | 49.1 | Very low | 47.2 | Very low | 68 Ų | 68 | 93.7 Ų | 93.7 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 171 | -76.2 | 172.1 | 0 | 0 | 0 | 111.1 | W588 Y619 E620 A626 | W588-L623 HydrophobicContact CH2-CD2 4.03Å; W588-L623 HydrophobicContact CZ2-CD2 3.68Å; Y619-L623 HydrophobicContact CD1-CD1 3.65Å; Y619-L623 HydrophobicContact CD1-CG 4.37Å; Y619-L623 HydrophobicContact CE1-CD1 3.37Å; Y619-L623 HydrophobicContact CE1-CG 4.25Å; Y619-L623 HydrophobicContact CG-CD1 4.41Å; Y619-L623 WeakPolarHBondContact O-CB 3.38Å; Y619-L623 WeakPolarHBondContact O-CG 3.39Å; Y619-L623 PolarHBondContact O-N 3.33Å; E620-L623 PolarHBondContact O-N 2.92Å; L623-A626 VanDerWaalsContact O-CB 3.32Å; L623-A626 WeakPolarHBondContact O-CB 3.42Å; L623-A626 PolarHBondContact O-N 3.29Å |
| 624 | R | 44.3 | Very low | 46.2 | Very low | 165 Ų | 165 | 94.5 Ų | 94.5 | 62% | 0.623 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.3 | -40.4 | 170.3 | -70.9 | 179 | -172.8 | 179.5 | 5.7 | 111.7 | E620 D621 L622 A626 E627 | E620-R624 WeakPolarHBondContact O-CG 3.47Å; E620-R624 PolarHBondContact O-N 3.29Å; D621-R624 PolarHBondContact O-N 3.05Å; L622-R624 VanDerWaalsContact C-N 3.31Å; R624-A626 PolarHBondContact O-N 3.38Å; R624-E627 WeakPolarHBondContact O-CB 3.29Å; R624-E627 WeakPolarHBondContact O-CG 3.18Å; R624-E627 PolarHBondContact O-N 3.28Å |
| 625 | S | 43.1 | Very low | 45.5 | Very low | 51 Ų | 51 | 99.4 Ų | 99.4 | 36% | 0.357 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72 | -14.2 | 176.5 | 80.1 | 0 | 0 | 0 | 0 | 113.8 | D621 L622 E627 T628 | D621-S625 WeakPolarHBondContact O-CB 3.48Å; D621-S625 PolarHBondContact O-N 3.15Å; L622-S625 VanDerWaalsContact CA-OG 3.25Å; L622-S625 WeakPolarHBondContact CA-OG 3.24Å; L622-S625 CarbonylContact O-C 3.56Å; L622-S625 PolarHBondContact O-N 3.41Å; L622-S625 PolarHBondContact O-OG 3.29Å; S625-E627 PolarHBondContact O-N 2.85Å; S625-E627 VanDerWaalsContact O-N 3.15Å; S625-T628 WeakPolarHBondContact O-CB 3.46Å; S625-T628 WeakPolarHBondContact O-CG2 3.31Å; S625-T628 PolarHBondContact O-N 3.22Å; S625-T628 PolarHBondContact O-OG1 2.99Å |
| 626 | A | 45 | Very low | 45.3 | Very low | 35 Ų | 35 | 97.1 Ų | 97.1 | 29% | 0.289 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -65.1 | -11.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L622 L623 R624 T628 L629 | L622-A626 PolarHBondContact O-N 3.34Å; L623-A626 VanDerWaalsContact O-CB 3.32Å; L623-A626 WeakPolarHBondContact O-CB 3.42Å; L623-A626 PolarHBondContact O-N 3.29Å; R624-A626 PolarHBondContact O-N 3.38Å; A626-T628 PolarHBondContact O-N 3.42Å; A626-L629 WeakPolarHBondContact O-CB 3.11Å; A626-L629 PolarHBondContact O-N 3.11Å |
| 627 | E | 43.9 | Very low | 45 | Very low | 157 Ų | 157 | 96.5 Ų | 96.5 | 73% | 0.734 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -53.3 | -27.2 | 161.9 | -71.4 | 179.3 | 174.9 | 0 | 0 | 112.3 | R624 S625 L629 E630 | R624-E627 WeakPolarHBondContact O-CB 3.29Å; R624-E627 WeakPolarHBondContact O-CG 3.18Å; R624-E627 PolarHBondContact O-N 3.28Å; S625-E627 PolarHBondContact O-N 2.85Å; S625-E627 VanDerWaalsContact O-N 3.15Å; E627-L629 PolarHBondContact O-N 3.45Å; E627-L629 VanDerWaalsContact O-N 3.17Å; E627-E630 PolarHBondContact O-N 3.18Å |
| 628 | T | 37.7 | Very low | 44.8 | Very low | 123 Ų | 123 | 98.7 Ų | 98.7 | 76% | 0.755 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -70.9 | -3.2 | 174.8 | 60.2 | 0 | 0 | 0 | 0 | 114.7 | S625 A626 E630 | S625-T628 WeakPolarHBondContact O-CB 3.46Å; S625-T628 WeakPolarHBondContact O-CG2 3.31Å; S625-T628 PolarHBondContact O-N 3.22Å; S625-T628 PolarHBondContact O-OG1 2.99Å; A626-T628 PolarHBondContact O-N 3.42Å; T628-E630 VanDerWaalsContact C-N 3.29Å; T628-E630 PolarHBondContact O-N 2.97Å |
| 629 | L | 40.8 | Very low | 45 | Very low | 47 Ų | 47 | 95.2 Ų | 95.2 | 25% | 0.246 | 53% | 0.526 | C | S | . | . | G | 310 helix | trans | -89.1 | 20.2 | 173 | -70.8 | 165 | 0 | 0 | 0 | 113.2 | A626 E627 G631 W633 | A626-L629 WeakPolarHBondContact O-CB 3.11Å; A626-L629 PolarHBondContact O-N 3.11Å; E627-L629 PolarHBondContact O-N 3.45Å; E627-L629 VanDerWaalsContact O-N 3.17Å; L629-G631 PolarHBondContact O-N 3.38Å; L629-W633 HydrophobicContact CB-CZ2 4.33Å; L629-W633 VanDerWaalsContact O-CD1 3.28Å; L629-W633 PolarHBondContact O-NE1 3.05Å |
| 630 | E | 38.4 | Very low | 45 | Very low | 187 Ų | 187 | 96.6 Ų | 96.6 | 87% | 0.874 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 98.2 | 163.3 | -78.4 | -174.9 | 166.3 | 0 | 0 | 110.1 | E627 T628 | E627-E630 PolarHBondContact O-N 3.18Å; T628-E630 VanDerWaalsContact C-N 3.29Å; T628-E630 PolarHBondContact O-N 2.97Å |
| 631 | G | 44.4 | Very low | 45 | Very low | 68 Ų | 68 | 98.5 Ų | 98.5 | 70% | 0.701 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 132.6 | -11.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | L629 | L629-G631 PolarHBondContact O-N 3.38Š|
| 632 | N | 38.7 | Very low | 45.3 | Very low | 116 Ų | 116 | 97.5 Ų | 97.5 | 62% | 0.62 | 54% | 0.542 | S | S | * | . | trans | -112.9 | 27.5 | -172 | -76.4 | -27.2 | 0 | 0 | 0 | 115.6 | ||||
| 633 | W | 44.9 | Very low | 45.7 | Very low | 92 Ų | 92 | 95.5 Ų | 95.5 | 35% | 0.348 | 53% | 0.53 | S | S | . | . | trans | -100 | 129.4 | -175.3 | -60.2 | 80.4 | 0 | 0 | 0 | 112.4 | F592 L629 W666 | F592-W633 HydrophobicContact CD1-CZ3 4.28Å; F592-W633 HydrophobicContact CE1-CE3 4.3Å; F592-W633 AromaticContact CE1-CH2 3.37Å; F592-W633 HydrophobicContact CE1-CH2 3.37Å; F592-W633 HydrophobicContact CE1-CZ2 4.21Å; F592-W633 AromaticContact CE1-CZ3 3.39Å; F592-W633 HydrophobicContact CE1-CZ3 3.39Å; F592-W633 HydrophobicContact CE2-CH2 4.46Å; F592-W633 HydrophobicContact CE2-CZ3 4.44Å; F592-W633 AromaticContact CZ-CH2 3.31Å; F592-W633 HydrophobicContact CZ-CH2 3.31Å; F592-W633 HydrophobicContact CZ-CZ2 4.38Å; F592-W633 AromaticContact CZ-CZ3 3.52Å; F592-W633 HydrophobicContact CZ-CZ3 3.52Å; L629-W633 HydrophobicContact CB-CZ2 4.33Å; L629-W633 VanDerWaalsContact O-CD1 3.28Å; L629-W633 PolarHBondContact O-NE1 3.05Å; W633-W666 HydrophobicContact CD2-CH2 4.06Å; W633-W666 HydrophobicContact CE3-CH2 4.16Å; W633-W666 HydrophobicContact CH2-CH2 4.12Å; W633-W666 HydrophobicContact CZ2-CH2 4.1Å; W633-W666 HydrophobicContact CZ2-CZ2 4.43Å; W633-W666 HydrophobicContact CZ3-CH2 4.19Å | ||
| 634 | P | 43.2 | Very low | 45.9 | Very low | 78 Ų | 78 | 94 Ų | 94 | 51% | 0.506 | 52% | 0.521 | S | S | . | . | trans | -75.7 | 144.2 | 176 | 23.7 | -24.1 | 0 | 0 | 0 | 112.9 | A595 | A595-P634 HydrophobicContact CB-CG 3.78Š| ||
| 635 | T | 41.5 | Very low | 46.4 | Very low | 127 Ų | 127 | 91.4 Ų | 91.4 | 78% | 0.779 | 52% | 0.52 | S | S | * | . | trans | -105.8 | 20.8 | -165.3 | 45.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 636 | D | 47.8 | Very low | 47 | Very low | 125 Ų | 125 | 91.3 Ų | 91.3 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | trans | -89 | 134.9 | -171 | -70.9 | -21.3 | 0 | 0 | 0 | 115.2 | V638 | D636-V638 PolarHBondContact O-N 3.43Š| ||
| 637 | G | 45.9 | Very low | 47.4 | Very low | 54 Ų | 54 | 89.9 Ų | 89.9 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -10.8 | -163.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | H639 T640 | G637-H639 PolarHBondContact O-N 2.99Å; G637-T640 WeakPolarHBondContact O-CB 3.45Å; G637-T640 PolarHBondContact O-N 3.5Å; G637-T640 PolarHBondContact O-OG1 3.21Å |
| 638 | V | 49.2 | Very low | 47.8 | Very low | 130 Ų | 130 | 85.6 Ų | 85.6 | 79% | 0.788 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.9 | -178.9 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | D636 T640 | D636-V638 PolarHBondContact O-N 3.43Å; V638-T640 PolarHBondContact O-N 3.05Å |
| 639 | H | 52.5 | Low | 48.6 | Very low | 92 Ų | 92 | 84 Ų | 84 | 43% | 0.426 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -75.6 | -2.7 | -178.9 | -59.5 | -70 | 0 | 0 | 0 | 114.2 | G637 F643 | G637-H639 PolarHBondContact O-N 2.99Å; H639-F643 WeakPolarHBondContact O-CB 3.38Å; H639-F643 PolarHBondContact O-N 2.86Å; H639-F643 VanDerWaalsContact O-N 3.15Å |
| 640 | T | 49.8 | Very low | 49.3 | Very low | 39 Ų | 39 | 82.2 Ų | 82.2 | 24% | 0.239 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -68.9 | -46.4 | -174.3 | -47.8 | 0 | 0 | 0 | 0 | 113.1 | G637 V638 F643 F644 W667 | G637-T640 WeakPolarHBondContact O-CB 3.45Å; G637-T640 PolarHBondContact O-N 3.5Å; G637-T640 PolarHBondContact O-OG1 3.21Å; V638-T640 PolarHBondContact O-N 3.05Å; T640-F643 PolarHBondContact O-N 3.28Å; T640-F644 HydrophobicContact CG2-CD2 3.77Å; T640-F644 HydrophobicContact CG2-CE2 3.66Å; T640-F644 WeakPolarHBondContact O-CD2 3.46Å; T640-F644 PolarHBondContact O-N 2.94Å; T640-W667 HydrophobicContact CG2-CH2 4.02Å; T640-W667 HydrophobicContact CG2-CZ2 3.69Å |
| 641 | Q | 50.5 | Low | 49.8 | Very low | 156 Ų | 156 | 75.6 Ų | 75.6 | 73% | 0.729 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.3 | -44.2 | -180 | -89.8 | -178.6 | -19.6 | 0 | 0 | 112.3 | F643 F644 D645 | Q641-F643 VanDerWaalsContact C-N 3.32Å; Q641-F643 PolarHBondContact O-N 3.49Å; Q641-F644 PolarHBondContact O-N 3.08Å; Q641-F644 VanDerWaalsContact O-N 3.12Å; Q641-D645 PolarHBondContact O-N 3.18Å |
| 642 | V | 54.3 | Low | 50 | Low | 73 Ų | 73 | 79.3 Ų | 79.3 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 178.7 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | A590 Q646 | A590-V642 HydrophobicContact CB-CG1 4.29Å; V642-Q646 WeakPolarHBondContact O-CB 3.5Å; V642-Q646 WeakPolarHBondContact O-CG 3.22Å; V642-Q646 PolarHBondContact O-N 2.94Å; V642-Q646 VanDerWaalsContact O-N 3.15Å |
| 643 | F | 54.6 | Low | 50.9 | Low | 22 Ų | 22 | 79.1 Ų | 79.1 | 10% | 0.096 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 173.1 | -179.8 | -96.8 | 0 | 0 | 0 | 111.6 | L587 T591 H639 T640 Q641 Q646 F647 T663 W667 | L587-F643 HydrophobicContact CD2-CD2 4.21Å; L587-F643 HydrophobicContact CD2-CE2 3.88Å; T591-F643 HydrophobicContact CG2-CD2 4.31Å; H639-F643 WeakPolarHBondContact O-CB 3.38Å; H639-F643 PolarHBondContact O-N 2.86Å; H639-F643 VanDerWaalsContact O-N 3.15Å; T640-F643 PolarHBondContact O-N 3.28Å; Q641-F643 VanDerWaalsContact C-N 3.32Å; Q641-F643 PolarHBondContact O-N 3.49Å; F643-Q646 PolarHBondContact O-N 3.22Å; F643-F647 HydrophobicContact CE1-CD2 4.28Å; F643-F647 HydrophobicContact CZ-CD2 4.18Å; F643-F647 VanDerWaalsContact O-CB 3.27Å; F643-F647 WeakPolarHBondContact O-CB 3.33Å; F643-F647 PolarHBondContact O-N 3.08Å; F643-T663 HydrophobicContact CZ-CG2 4.41Å; F643-W667 HydrophobicContact CE1-CD2 4.3Å; F643-W667 HydrophobicContact CE1-CG 4.27Å |
| 644 | F | 53.2 | Low | 51.1 | Low | 38 Ų | 38 | 84.9 Ų | 84.9 | 17% | 0.167 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 178.5 | -91.4 | -68.8 | 0 | 0 | 0 | 113.3 | T640 Q641 Q646 F647 V648 W667 C681 | T640-F644 HydrophobicContact CG2-CD2 3.77Å; T640-F644 HydrophobicContact CG2-CE2 3.66Å; T640-F644 WeakPolarHBondContact O-CD2 3.46Å; T640-F644 PolarHBondContact O-N 2.94Å; Q641-F644 PolarHBondContact O-N 3.08Å; Q641-F644 VanDerWaalsContact O-N 3.12Å; F644-Q646 VanDerWaalsContact C-N 3.27Å; F644-Q646 PolarHBondContact O-N 3.45Å; F644-F647 CarbonylContact O-C 3.36Å; F644-F647 PolarHBondContact O-N 3.03Å; F644-F647 VanDerWaalsContact O-N 3.08Å; F644-V648 WeakPolarHBondContact O-CG2 3.3Å; F644-V648 PolarHBondContact O-N 2.94Å; F644-W667 AromaticContact CE2-CH2 3.4Å; F644-W667 HydrophobicContact CE2-CH2 3.4Å; F644-W667 HydrophobicContact CE2-CZ2 4.12Å; F644-W667 AromaticContact CE2-CZ3 3.94Å; F644-W667 HydrophobicContact CE2-CZ3 3.94Å; F644-W667 AromaticContact CZ-CH2 3.55Å; F644-W667 HydrophobicContact CZ-CH2 3.55Å; F644-W667 AromaticContact CZ-CZ3 3.57Å; F644-W667 HydrophobicContact CZ-CZ3 3.57Å; F644-C681 HydrophobicContact CZ-CB 4.42Å |
| 645 | D | 55.9 | Low | 51.7 | Low | 110 Ų | 110 | 83.9 Ų | 83.9 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 178.6 | -71.9 | -20.2 | 0 | 0 | 0 | 110.7 | Q641 L649 | Q641-D645 PolarHBondContact O-N 3.18Å; D645-L649 WeakPolarHBondContact O-CB 3.35Å; D645-L649 PolarHBondContact O-N 3.43Å; D645-L649 VanDerWaalsContact O-N 3.14Å |
| 646 | Q | 54.7 | Low | 52.4 | Low | 49 Ų | 49 | 84.5 Ų | 84.5 | 23% | 0.229 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67 | -36.1 | 174.9 | -63.3 | -112.1 | -8.5 | 0 | 0 | 111.9 | L587 V642 F643 F644 L649 A650 | L587-Q646 HydrophobicContact CD1-CB 3.81Å; L587-Q646 HydrophobicContact CG-CB 4.14Å; V642-Q646 WeakPolarHBondContact O-CB 3.5Å; V642-Q646 WeakPolarHBondContact O-CG 3.22Å; V642-Q646 PolarHBondContact O-N 2.94Å; V642-Q646 VanDerWaalsContact O-N 3.15Å; F643-Q646 PolarHBondContact O-N 3.22Å; F644-Q646 VanDerWaalsContact C-N 3.27Å; F644-Q646 PolarHBondContact O-N 3.45Å; Q646-L649 WeakPolarHBondContact O-CB 3.23Å; Q646-A650 WeakPolarHBondContact O-CB 3.42Å; Q646-A650 PolarHBondContact O-N 3.15Å |
| 647 | F | 54.2 | Low | 52.8 | Low | 5 Ų | 5 | 82 Ų | 82 | 2% | 0.022 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -71.5 | -38.6 | 178 | -165.2 | -95.7 | 0 | 0 | 0 | 112.7 | F643 F644 A650 I651 L660 L664 | F643-F647 HydrophobicContact CE1-CD2 4.28Å; F643-F647 HydrophobicContact CZ-CD2 4.18Å; F643-F647 VanDerWaalsContact O-CB 3.27Å; F643-F647 WeakPolarHBondContact O-CB 3.33Å; F643-F647 PolarHBondContact O-N 3.08Å; F644-F647 CarbonylContact O-C 3.36Å; F644-F647 PolarHBondContact O-N 3.03Å; F644-F647 VanDerWaalsContact O-N 3.08Å; F647-A650 WeakPolarHBondContact O-CB 3.46Å; F647-A650 PolarHBondContact O-N 3.49Å; F647-I651 HydrophobicContact CD1-CD1 3.85Å; F647-I651 HydrophobicContact CD1-CG1 4.32Å; F647-I651 HydrophobicContact CE1-CD1 3.74Å; F647-I651 HydrophobicContact CE1-CG1 4.19Å; F647-I651 WeakPolarHBondContact O-CG1 3.32Å; F647-I651 PolarHBondContact O-N 2.67Å; F647-L660 HydrophobicContact CD2-CD2 4.4Å; F647-L660 HydrophobicContact CE2-CD2 3.79Å; F647-L660 HydrophobicContact CZ-CB 4.4Å; F647-L660 HydrophobicContact CZ-CD2 4.1Å; F647-L664 HydrophobicContact CE1-CD1 4.03Å; F647-L664 HydrophobicContact CE1-CD2 4.39Å; F647-L664 HydrophobicContact CE2-CB 4.44Å; F647-L664 HydrophobicContact CZ-CB 3.89Å; F647-L664 HydrophobicContact CZ-CD1 4.04Å; F647-L664 HydrophobicContact CZ-CD2 4.37Å; F647-L664 HydrophobicContact CZ-CG 4.32Å |
| 648 | V | 52.1 | Low | 53.1 | Low | 66 Ų | 66 | 82.4 Ų | 82.4 | 40% | 0.4 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | F644 A650 I651 Q652 | F644-V648 WeakPolarHBondContact O-CG2 3.3Å; F644-V648 PolarHBondContact O-N 2.94Å; V648-A650 VanDerWaalsContact C-N 3.29Å; V648-A650 PolarHBondContact O-N 3.03Å; V648-I651 PolarHBondContact O-N 3Å; V648-Q652 WeakPolarHBondContact O-CG 3.28Å; V648-Q652 PolarHBondContact O-N 3.31Å |
| 649 | L | 54.5 | Low | 53.4 | Low | 91 Ų | 91 | 80.9 Ų | 80.9 | 48% | 0.476 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.2 | -41.4 | 171.3 | -106.2 | 146.2 | 0 | 0 | 0 | 111.8 | D645 Q646 I651 Q652 Q653 | D645-L649 WeakPolarHBondContact O-CB 3.35Å; D645-L649 PolarHBondContact O-N 3.43Å; D645-L649 VanDerWaalsContact O-N 3.14Å; Q646-L649 WeakPolarHBondContact O-CB 3.23Å; L649-I651 PolarHBondContact O-N 3.12Å; L649-Q652 PolarHBondContact O-N 3.12Å; L649-Q653 WeakPolarHBondContact O-CG 3.33Å; L649-Q653 PolarHBondContact O-N 3.11Å |
| 650 | A | 54.4 | Low | 53.7 | Low | 9 Ų | 9 | 77.5 Ų | 77.5 | 7% | 0.074 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q646 F647 V648 Q653 L655 L660 | Q646-A650 WeakPolarHBondContact O-CB 3.42Å; Q646-A650 PolarHBondContact O-N 3.15Å; F647-A650 WeakPolarHBondContact O-CB 3.46Å; F647-A650 PolarHBondContact O-N 3.49Å; V648-A650 VanDerWaalsContact C-N 3.29Å; V648-A650 PolarHBondContact O-N 3.03Å; A650-Q653 PolarHBondContact O-N 3.19Å; A650-L655 HydrophobicContact CB-CD1 3.5Å; A650-L655 VanDerWaalsContact CB-CD1 3.5Å; A650-L660 HydrophobicContact CB-CD2 4.19Å |
| 651 | I | 48.7 | Very low | 54.3 | Low | 47 Ų | 47 | 75.8 Ų | 75.8 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67 | -44.9 | 175.3 | -65.8 | 169.1 | 0 | 0 | 0 | 111.2 | F647 V648 L649 Q653 R654 | F647-I651 HydrophobicContact CD1-CD1 3.85Å; F647-I651 HydrophobicContact CD1-CG1 4.32Å; F647-I651 HydrophobicContact CE1-CD1 3.74Å; F647-I651 HydrophobicContact CE1-CG1 4.19Å; F647-I651 WeakPolarHBondContact O-CG1 3.32Å; F647-I651 PolarHBondContact O-N 2.67Å; V648-I651 PolarHBondContact O-N 3Å; L649-I651 PolarHBondContact O-N 3.12Å; I651-Q653 PolarHBondContact O-N 2.93Å; I651-R654 PolarHBondContact O-N 2.78Å; I651-R654 VanDerWaalsContact O-N 3.12Å |
| 652 | Q | 49.9 | Very low | 54.4 | Low | 146 Ų | 146 | 71.5 Ų | 71.5 | 68% | 0.682 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59 | -32.3 | 178.6 | -72.8 | 178.9 | -6.6 | 0 | 0 | 112.1 | V648 L649 R654 | V648-Q652 WeakPolarHBondContact O-CG 3.28Å; V648-Q652 PolarHBondContact O-N 3.31Å; L649-Q652 PolarHBondContact O-N 3.12Å; Q652-R654 VanDerWaalsContact C-N 3.34Å; Q652-R654 PolarHBondContact O-N 3.47Å |
| 653 | Q | 56.9 | Low | 54.5 | Low | 113 Ų | 113 | 70.4 Ų | 70.4 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 7.7 | 179.9 | -66.5 | -169.6 | 2.2 | 0 | 0 | 115 | L649 A650 I651 L655 | L649-Q653 WeakPolarHBondContact O-CG 3.33Å; L649-Q653 PolarHBondContact O-N 3.11Å; A650-Q653 PolarHBondContact O-N 3.19Å; I651-Q653 PolarHBondContact O-N 2.93Å; Q653-L655 PolarHBondContact O-N 3.33Å |
| 654 | R | 49.9 | Very low | 54.8 | Low | 213 Ų | 213 | 69.4 Ų | 69.4 | 80% | 0.804 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 40.5 | 176.1 | -57.3 | -175.2 | 175.5 | -171.3 | -0.1 | 114.9 | I651 Q652 | I651-R654 PolarHBondContact O-N 2.78Å; I651-R654 VanDerWaalsContact O-N 3.12Å; Q652-R654 VanDerWaalsContact C-N 3.34Å; Q652-R654 PolarHBondContact O-N 3.47Å |
| 655 | L | 54.1 | Low | 55.2 | Low | 57 Ų | 57 | 68 Ų | 68 | 30% | 0.298 | 34% | 0.341 | S | S | . | . | trans | -58.1 | 151 | 169.6 | -87.3 | 151.7 | 0 | 0 | 0 | 112.1 | A650 Q653 L660 | A650-L655 HydrophobicContact CB-CD1 3.5Å; A650-L655 VanDerWaalsContact CB-CD1 3.5Å; Q653-L655 PolarHBondContact O-N 3.33Å; L655-L660 HydrophobicContact CB-CD1 3.86Å; L655-L660 HydrophobicContact CB-CD2 4.41Å; L655-L660 HydrophobicContact CB-CG 4.15Å | ||
| 656 | E | 56.7 | Low | 55.1 | Low | 139 Ų | 139 | 67.7 Ų | 67.7 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | trans | -63 | 138.4 | -177.3 | -65.5 | -167 | 168.4 | 0 | 0 | 112.6 | S658 I659 L660 | E656-S658 VanDerWaalsContact CB-OG 3.28Å; E656-S658 WeakPolarHBondContact CB-OG 3.36Å; E656-S658 PolarHBondContact O-N 2.91Å; E656-S658 PolarHBondContact OE2-OG 3.4Å; E656-S658 VanDerWaalsContact OE2-OG 3.06Å; E656-I659 PolarHBondContact O-N 2.8Å; E656-L660 PolarHBondContact O-N 3.34Å | ||
| 657 | F | 56.9 | Low | 55.3 | Low | 74 Ų | 74 | 66.7 Ų | 66.7 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.4 | -18.4 | 179.2 | 72.4 | -93.2 | 0 | 0 | 0 | 113.1 | I659 V661 | F657-I659 PolarHBondContact O-N 3.23Å; F657-V661 HydrophobicContact CB-CG2 4.1Å; F657-V661 WeakPolarHBondContact O-CB 3.37Å; F657-V661 WeakPolarHBondContact O-CG2 3.48Å; F657-V661 PolarHBondContact O-N 3.11Å; F657-V661 VanDerWaalsContact O-N 3.11Å |
| 658 | S | 52.8 | Low | 55.6 | Low | 62 Ų | 62 | 67.2 Ų | 67.2 | 43% | 0.434 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.1 | -28.7 | 174.9 | 51 | 0 | 0 | 0 | 0 | 112.8 | E656 P662 | E656-S658 VanDerWaalsContact CB-OG 3.28Å; E656-S658 WeakPolarHBondContact CB-OG 3.36Å; E656-S658 PolarHBondContact O-N 2.91Å; E656-S658 PolarHBondContact OE2-OG 3.4Å; E656-S658 VanDerWaalsContact OE2-OG 3.06Å; S658-P662 VanDerWaalsContact O-CD 3.28Å; S658-P662 WeakPolarHBondContact O-CD 3.46Å; S658-P662 VanDerWaalsContact O-CG 3.25Å; S658-P662 WeakPolarHBondContact O-CG 3.31Å |
| 659 | I | 55.1 | Low | 55.7 | Low | 97 Ų | 97 | 68.7 Ų | 68.7 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -101.2 | -45.9 | 178.4 | -58.3 | 170.4 | 0 | 0 | 0 | 110.4 | E656 F657 V661 T663 | E656-I659 PolarHBondContact O-N 2.8Å; F657-I659 PolarHBondContact O-N 3.23Å; I659-V661 PolarHBondContact O-N 2.89Å; I659-T663 VanDerWaalsContact O-CB 3.3Å; I659-T663 WeakPolarHBondContact O-CB 3.32Å; I659-T663 PolarHBondContact O-N 3Å; I659-T663 VanDerWaalsContact O-N 3.11Å; I659-T663 PolarHBondContact O-OG1 3.01Å |
| 660 | L | 58.9 | Low | 55.5 | Low | 21 Ų | 21 | 69 Ų | 69 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | -173.7 | -68.5 | 175 | 0 | 0 | 0 | 113.4 | F647 A650 L655 E656 L664 | F647-L660 HydrophobicContact CD2-CD2 4.4Å; F647-L660 HydrophobicContact CE2-CD2 3.79Å; F647-L660 HydrophobicContact CZ-CB 4.4Å; F647-L660 HydrophobicContact CZ-CD2 4.1Å; A650-L660 HydrophobicContact CB-CD2 4.19Å; L655-L660 HydrophobicContact CB-CD1 3.86Å; L655-L660 HydrophobicContact CB-CD2 4.41Å; L655-L660 HydrophobicContact CB-CG 4.15Å; E656-L660 PolarHBondContact O-N 3.34Å; L660-L664 WeakPolarHBondContact O-CB 3.39Å; L660-L664 PolarHBondContact O-N 3.22Å |
| 661 | V | 61.7 | Low | 55.6 | Low | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.024 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71 | -47.7 | -176 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | F657 I659 T663 L664 L665 L704 | F657-V661 HydrophobicContact CB-CG2 4.1Å; F657-V661 WeakPolarHBondContact O-CB 3.37Å; F657-V661 WeakPolarHBondContact O-CG2 3.48Å; F657-V661 PolarHBondContact O-N 3.11Å; F657-V661 VanDerWaalsContact O-N 3.11Å; I659-V661 PolarHBondContact O-N 2.89Å; V661-T663 PolarHBondContact O-N 3.17Å; V661-L664 PolarHBondContact O-N 3.18Å; V661-L665 HydrophobicContact CG1-CD1 3.56Å; V661-L665 HydrophobicContact CG1-CG 4.24Å; V661-L665 WeakPolarHBondContact O-CB 3.07Å; V661-L665 VanDerWaalsContact O-CG 3.23Å; V661-L665 WeakPolarHBondContact O-CG 3.28Å; V661-L665 PolarHBondContact O-N 2.97Å; V661-L704 HydrophobicContact CG1-CD2 4.43Å |
| 662 | P | 53.6 | Low | 55.5 | Low | 65 Ų | 65 | 77.8 Ų | 77.8 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 173.2 | -25.9 | 37.7 | 0 | 0 | 0 | 113.2 | S658 L664 L665 W666 | S658-P662 VanDerWaalsContact O-CD 3.28Å; S658-P662 WeakPolarHBondContact O-CD 3.46Å; S658-P662 VanDerWaalsContact O-CG 3.25Å; S658-P662 WeakPolarHBondContact O-CG 3.31Å; P662-L664 PolarHBondContact O-N 3.4Å; P662-L665 PolarHBondContact O-N 2.62Å; P662-W666 WeakPolarHBondContact O-CB 3.28Å; P662-W666 PolarHBondContact O-N 3Å |
| 663 | T | 56 | Low | 55.4 | Low | 51 Ų | 51 | 76.9 Ų | 76.9 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 179.6 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | F643 I659 V661 W667 | F643-T663 HydrophobicContact CZ-CG2 4.41Å; I659-T663 VanDerWaalsContact O-CB 3.3Å; I659-T663 WeakPolarHBondContact O-CB 3.32Å; I659-T663 PolarHBondContact O-N 3Å; I659-T663 VanDerWaalsContact O-N 3.11Å; I659-T663 PolarHBondContact O-OG1 3.01Å; V661-T663 PolarHBondContact O-N 3.17Å; T663-W667 VanDerWaalsContact O-CB 3.31Å; T663-W667 WeakPolarHBondContact O-CB 3.35Å; T663-W667 PolarHBondContact O-N 2.84Å |
| 664 | L | 60.7 | Low | 55.2 | Low | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69 | -44.2 | 177.1 | -173.8 | 71 | 0 | 0 | 0 | 112.3 | F647 L660 V661 P662 W667 C668 C685 L686 | F647-L664 HydrophobicContact CE1-CD1 4.03Å; F647-L664 HydrophobicContact CE1-CD2 4.39Å; F647-L664 HydrophobicContact CE2-CB 4.44Å; F647-L664 HydrophobicContact CZ-CB 3.89Å; F647-L664 HydrophobicContact CZ-CD1 4.04Å; F647-L664 HydrophobicContact CZ-CD2 4.37Å; F647-L664 HydrophobicContact CZ-CG 4.32Å; L660-L664 WeakPolarHBondContact O-CB 3.39Å; L660-L664 PolarHBondContact O-N 3.22Å; V661-L664 PolarHBondContact O-N 3.18Å; P662-L664 PolarHBondContact O-N 3.4Å; L664-W667 HydrophobicContact CD1-CE3 4.44Å; L664-W667 PolarHBondContact O-N 2.96Å; L664-C668 PolarHBondContact O-N 3.44Å; L664-C668 PolarHBondContact O-SG 3.37Å; L664-C685 HydrophobicContact CD2-CB 4.15Å; L664-L686 HydrophobicContact CD2-CD2 4.35Å; L664-L686 HydrophobicContact CD2-CG 4.21Å |
| 665 | L | 60.7 | Low | 55.7 | Low | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 179.7 | -70.9 | 171.9 | 0 | 0 | 0 | 111.8 | V661 P662 C668 Q669 L704 Y709 A712 | V661-L665 HydrophobicContact CG1-CD1 3.56Å; V661-L665 HydrophobicContact CG1-CG 4.24Å; V661-L665 WeakPolarHBondContact O-CB 3.07Å; V661-L665 VanDerWaalsContact O-CG 3.23Å; V661-L665 WeakPolarHBondContact O-CG 3.28Å; V661-L665 PolarHBondContact O-N 2.97Å; P662-L665 PolarHBondContact O-N 2.62Å; L665-C668 PolarHBondContact O-N 2.94Å; L665-Q669 PolarHBondContact O-N 3.04Å; L665-L704 HydrophobicContact CD1-CD2 4.48Å; L665-Y709 HydrophobicContact CB-CD1 4.26Å; L665-Y709 HydrophobicContact CB-CD2 3.99Å; L665-Y709 HydrophobicContact CB-CE1 4.22Å; L665-Y709 HydrophobicContact CB-CE2 4.01Å; L665-Y709 HydrophobicContact CB-CG 4.15Å; L665-Y709 HydrophobicContact CD1-CD2 3.69Å; L665-Y709 HydrophobicContact CD1-CE2 4.01Å; L665-Y709 HydrophobicContact CD1-CG 4.39Å; L665-Y709 HydrophobicContact CD2-CD2 4.43Å; L665-Y709 HydrophobicContact CD2-CG 4.35Å; L665-Y709 HydrophobicContact CG-CD2 4.25Å; L665-A712 HydrophobicContact CD2-CB 4.35Å |
| 666 | W | 55.5 | Low | 55.6 | Low | 102 Ų | 102 | 66.7 Ų | 66.7 | 39% | 0.386 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | 173.1 | 177.2 | 81.5 | 0 | 0 | 0 | 112 | W633 P662 C668 Q669 L670 | W633-W666 HydrophobicContact CD2-CH2 4.06Å; W633-W666 HydrophobicContact CE3-CH2 4.16Å; W633-W666 HydrophobicContact CH2-CH2 4.12Å; W633-W666 HydrophobicContact CZ2-CH2 4.1Å; W633-W666 HydrophobicContact CZ2-CZ2 4.43Å; W633-W666 HydrophobicContact CZ3-CH2 4.19Å; P662-W666 WeakPolarHBondContact O-CB 3.28Å; P662-W666 PolarHBondContact O-N 3Å; W666-C668 VanDerWaalsContact C-N 3.27Å; W666-C668 PolarHBondContact O-N 3.33Å; W666-Q669 WeakPolarHBondContact O-CB 3.19Å; W666-Q669 PolarHBondContact O-N 3.42Å; W666-L670 HydrophobicContact CD2-CD1 3.93Å; W666-L670 HydrophobicContact CD2-CG 4.42Å; W666-L670 HydrophobicContact CE3-CD1 3.85Å; W666-L670 HydrophobicContact CH2-CD1 3.39Å; W666-L670 HydrophobicContact CZ2-CD1 3.46Å; W666-L670 VanDerWaalsContact CZ2-CD1 3.46Å; W666-L670 HydrophobicContact CZ2-CD2 4.47Å; W666-L670 HydrophobicContact CZ2-CG 4.25Å; W666-L670 HydrophobicContact CZ3-CD1 3.58Å; W666-L670 PolarHBondContact O-N 3.11Å; W666-L670 VanDerWaalsContact O-N 3.09Å |
| 667 | W | 57.6 | Low | 55.4 | Low | 29 Ų | 29 | 67.8 Ų | 67.8 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.6 | -40.6 | 175.4 | -178.2 | 75.3 | 0 | 0 | 0 | 111.8 | T640 F643 F644 T663 L664 Q669 Q671 V678 | T640-W667 HydrophobicContact CG2-CH2 4.02Å; T640-W667 HydrophobicContact CG2-CZ2 3.69Å; F643-W667 HydrophobicContact CE1-CD2 4.3Å; F643-W667 HydrophobicContact CE1-CG 4.27Å; F644-W667 AromaticContact CE2-CH2 3.4Å; F644-W667 HydrophobicContact CE2-CH2 3.4Å; F644-W667 HydrophobicContact CE2-CZ2 4.12Å; F644-W667 AromaticContact CE2-CZ3 3.94Å; F644-W667 HydrophobicContact CE2-CZ3 3.94Å; F644-W667 AromaticContact CZ-CH2 3.55Å; F644-W667 HydrophobicContact CZ-CH2 3.55Å; F644-W667 AromaticContact CZ-CZ3 3.57Å; F644-W667 HydrophobicContact CZ-CZ3 3.57Å; T663-W667 VanDerWaalsContact O-CB 3.31Å; T663-W667 WeakPolarHBondContact O-CB 3.35Å; T663-W667 PolarHBondContact O-N 2.84Å; L664-W667 HydrophobicContact CD1-CE3 4.44Å; L664-W667 PolarHBondContact O-N 2.96Å; W667-Q669 VanDerWaalsContact C-N 3.34Å; W667-Q669 PolarHBondContact O-N 2.82Å; W667-Q671 WeakPolarHBondContact O-CG 3.38Å; W667-Q671 PolarHBondContact O-N 3.36Å; W667-V678 HydrophobicContact CH2-CG1 3.56Å; W667-V678 HydrophobicContact CZ3-CG1 3.52Å |
| 668 | C | 60.5 | Low | 55.2 | Low | 15 Ų | 15 | 65.7 Ų | 65.7 | 10% | 0.101 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.8 | -32.3 | 173.2 | -64.6 | 0 | 0 | 0 | 0 | 113 | L664 L665 W666 L674 | L664-C668 PolarHBondContact O-N 3.44Å; L664-C668 PolarHBondContact O-SG 3.37Å; L665-C668 PolarHBondContact O-N 2.94Å; W666-C668 VanDerWaalsContact C-N 3.27Å; W666-C668 PolarHBondContact O-N 3.33Å; C668-L674 HydrophobicContact CB-CD1 4.14Å; C668-L674 HydrophobicContact CB-CD2 4.45Å; C668-L674 WeakPolarHBondContact O-CD1 3.49Å |
| 669 | Q | 55.2 | Low | 55.5 | Low | 98 Ų | 98 | 66 Ų | 66 | 46% | 0.458 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.2 | -34.9 | 179.5 | -169.5 | 178.9 | -1.2 | 0 | 0 | 112.8 | L665 W666 W667 Q671 Y709 | L665-Q669 PolarHBondContact O-N 3.04Å; W666-Q669 WeakPolarHBondContact O-CB 3.19Å; W666-Q669 PolarHBondContact O-N 3.42Å; W667-Q669 VanDerWaalsContact C-N 3.34Å; W667-Q669 PolarHBondContact O-N 2.82Å; Q669-Q671 PolarHBondContact O-N 2.99Å; Q669-Y709 VanDerWaalsContact OE1-CE1 3.25Å |
| 670 | L | 50.6 | Low | 55.5 | Low | 96 Ų | 96 | 66.4 Ų | 66.4 | 50% | 0.503 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.8 | -33 | 175.7 | -74.6 | 174.1 | 0 | 0 | 0 | 112.2 | W666 K672 | W666-L670 HydrophobicContact CD2-CD1 3.93Å; W666-L670 HydrophobicContact CD2-CG 4.42Å; W666-L670 HydrophobicContact CE3-CD1 3.85Å; W666-L670 HydrophobicContact CH2-CD1 3.39Å; W666-L670 HydrophobicContact CZ2-CD1 3.46Å; W666-L670 VanDerWaalsContact CZ2-CD1 3.46Å; W666-L670 HydrophobicContact CZ2-CD2 4.47Å; W666-L670 HydrophobicContact CZ2-CG 4.25Å; W666-L670 HydrophobicContact CZ3-CD1 3.58Å; W666-L670 PolarHBondContact O-N 3.11Å; W666-L670 VanDerWaalsContact O-N 3.09Å; L670-K672 VanDerWaalsContact C-N 3.25Å; L670-K672 PolarHBondContact O-N 3.24Å; L670-K672 VanDerWaalsContact O-N 3.07Å |
| 671 | Q | 54.7 | Low | 55.4 | Low | 78 Ų | 78 | 67.7 Ų | 67.7 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -84.1 | 62.2 | 176.3 | -62.3 | -70.1 | -26.6 | 0 | 0 | 109.9 | W667 Q669 P673 L674 | W667-Q671 WeakPolarHBondContact O-CG 3.38Å; W667-Q671 PolarHBondContact O-N 3.36Å; Q669-Q671 PolarHBondContact O-N 2.99Å; Q671-P673 CarbonylContact O-C 3.53Å; Q671-L674 HydrophobicContact CB-CD1 3.55Å; Q671-L674 WeakPolarHBondContact O-CA 3.28Å; Q671-L674 WeakPolarHBondContact O-CD1 3.34Å; Q671-L674 PolarHBondContact O-N 3.27Å |
| 672 | K | 47.7 | Very low | 55.4 | Low | 163 Ų | 163 | 67.6 Ų | 67.6 | 71% | 0.709 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -102 | 118.8 | 168.5 | -87.5 | -174.7 | -179.8 | 179.9 | 0 | 110.1 | L670 | L670-K672 VanDerWaalsContact C-N 3.25Å; L670-K672 PolarHBondContact O-N 3.24Å; L670-K672 VanDerWaalsContact O-N 3.07Å |
| 673 | P | 47 | Very low | 55.6 | Low | 127 Ų | 127 | 66.1 Ų | 66.1 | 83% | 0.825 | 35% | 0.351 | S | S | * | . | S | Bend | cis | -80.9 | 142.1 | 3.8 | 32.5 | -32.6 | 0 | 0 | 0 | 113 | Q671 A675 | Q671-P673 CarbonylContact O-C 3.53Å; P673-A675 PolarHBondContact O-N 2.84Å |
| 674 | L | 52.5 | Low | 55.6 | Low | 38 Ų | 38 | 70.9 Ų | 70.9 | 20% | 0.199 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 123.2 | -178.8 | -150 | 71.5 | 0 | 0 | 0 | 109.1 | C668 Q671 V678 E679 L711 | C668-L674 HydrophobicContact CB-CD1 4.14Å; C668-L674 HydrophobicContact CB-CD2 4.45Å; C668-L674 WeakPolarHBondContact O-CD1 3.49Å; Q671-L674 HydrophobicContact CB-CD1 3.55Å; Q671-L674 WeakPolarHBondContact O-CA 3.28Å; Q671-L674 WeakPolarHBondContact O-CD1 3.34Å; Q671-L674 PolarHBondContact O-N 3.27Å; L674-V678 HydrophobicContact CD1-CG1 4.05Å; L674-V678 HydrophobicContact CG-CB 4.41Å; L674-V678 HydrophobicContact CG-CG1 4.22Å; L674-E679 HydrophobicContact CD2-CB 3.81Å; L674-E679 HydrophobicContact CD2-CG 4.27Å; L674-E679 HydrophobicContact CG-CB 4.41Å; L674-L711 HydrophobicContact CD2-CD1 3.47Å; L674-L711 VanDerWaalsContact CD2-CD1 3.47Å |
| 675 | A | 60.4 | Low | 55.5 | Low | 60 Ų | 60 | 71.5 Ų | 71.5 | 50% | 0.496 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 141 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | P673 E677 V678 E679 | P673-A675 PolarHBondContact O-N 2.84Å; A675-E677 PolarHBondContact O-N 2.93Å; A675-V678 HydrophobicContact CB-CG2 4.21Å; A675-V678 WeakPolarHBondContact O-CA 3.31Å; A675-V678 WeakPolarHBondContact O-CB 3.3Å; A675-V678 PolarHBondContact O-N 3.46Å; A675-E679 PolarHBondContact O-N 3.4Å |
| 676 | A | 53.5 | Low | 55.6 | Low | 72 Ų | 72 | 71.2 Ų | 71.2 | 60% | 0.595 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -56 | -30 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q680 | A676-Q680 WeakPolarHBondContact O-CB 3.25Å; A676-Q680 WeakPolarHBondContact O-CG 3.18Å; A676-Q680 PolarHBondContact O-N 3.49Å |
| 677 | E | 51.2 | Low | 55.6 | Low | 161 Ų | 161 | 72.3 Ų | 72.3 | 75% | 0.752 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69 | -41.9 | 174.8 | -63.2 | -178.7 | -180 | 0 | 0 | 112.3 | A675 Q680 C681 | A675-E677 PolarHBondContact O-N 2.93Å; E677-Q680 PolarHBondContact O-N 3.35Å; E677-C681 WeakPolarHBondContact O-CB 3.45Å; E677-C681 PolarHBondContact O-N 2.92Å |
| 678 | V | 53.9 | Low | 55.6 | Low | 30 Ų | 30 | 74.5 Ų | 74.5 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.6 | -38.9 | 176.9 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | W667 L674 A675 C681 A682 | W667-V678 HydrophobicContact CH2-CG1 3.56Å; W667-V678 HydrophobicContact CZ3-CG1 3.52Å; L674-V678 HydrophobicContact CD1-CG1 4.05Å; L674-V678 HydrophobicContact CG-CB 4.41Å; L674-V678 HydrophobicContact CG-CG1 4.22Å; A675-V678 HydrophobicContact CB-CG2 4.21Å; A675-V678 WeakPolarHBondContact O-CA 3.31Å; A675-V678 WeakPolarHBondContact O-CB 3.3Å; A675-V678 PolarHBondContact O-N 3.46Å; V678-C681 PolarHBondContact O-N 2.99Å; V678-A682 VanDerWaalsContact O-CB 3.31Å; V678-A682 WeakPolarHBondContact O-CB 3.28Å; V678-A682 PolarHBondContact O-N 2.88Å |
| 679 | E | 59.1 | Low | 55.6 | Low | 70 Ų | 70 | 74.6 Ų | 74.6 | 33% | 0.327 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 172.3 | -175.4 | 168 | -163.7 | 0 | 0 | 111.5 | L674 A675 C681 A682 L683 L711 | L674-E679 HydrophobicContact CD2-CB 3.81Å; L674-E679 HydrophobicContact CD2-CG 4.27Å; L674-E679 HydrophobicContact CG-CB 4.41Å; A675-E679 PolarHBondContact O-N 3.4Å; E679-C681 VanDerWaalsContact C-N 3.35Å; E679-C681 PolarHBondContact O-N 3.18Å; E679-A682 PolarHBondContact O-N 3.38Å; E679-L683 HydrophobicContact CG-CD1 3.95Å; E679-L683 VanDerWaalsContact O-CB 3.31Å; E679-L683 WeakPolarHBondContact O-CB 3.31Å; E679-L683 WeakPolarHBondContact O-CD1 3.28Å; E679-L683 VanDerWaalsContact O-CG 3.24Å; E679-L683 WeakPolarHBondContact O-CG 3.27Å; E679-L683 PolarHBondContact O-N 2.95Å; E679-L711 HydrophobicContact CG-CD1 4.17Å; E679-L711 HydrophobicContact CG-CD2 4.43Å |
| 680 | Q | 54.5 | Low | 55.8 | Low | 105 Ų | 105 | 70.4 Ų | 70.4 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 175.2 | -81.4 | -166.7 | 11.4 | 0 | 0 | 112.6 | A676 E677 L683 R684 | A676-Q680 WeakPolarHBondContact O-CB 3.25Å; A676-Q680 WeakPolarHBondContact O-CG 3.18Å; A676-Q680 PolarHBondContact O-N 3.49Å; E677-Q680 PolarHBondContact O-N 3.35Å; Q680-L683 PolarHBondContact O-N 2.87Å; Q680-R684 WeakPolarHBondContact O-CB 3.44Å; Q680-R684 WeakPolarHBondContact O-CG 3.5Å; Q680-R684 PolarHBondContact O-N 2.98Å |
| 681 | C | 57.2 | Low | 56 | Low | 48 Ų | 48 | 75.5 Ų | 75.5 | 32% | 0.324 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.8 | -45 | 176.7 | -85.4 | 0 | 0 | 0 | 0 | 111.8 | F644 E677 V678 E679 L683 R684 C685 | F644-C681 HydrophobicContact CZ-CB 4.42Å; E677-C681 WeakPolarHBondContact O-CB 3.45Å; E677-C681 PolarHBondContact O-N 2.92Å; V678-C681 PolarHBondContact O-N 2.99Å; E679-C681 VanDerWaalsContact C-N 3.35Å; E679-C681 PolarHBondContact O-N 3.18Å; C681-L683 VanDerWaalsContact C-N 3.34Å; C681-L683 PolarHBondContact O-N 3.31Å; C681-R684 WeakPolarHBondContact O-CB 3.39Å; C681-R684 PolarHBondContact O-N 3.25Å; C681-C685 PolarHBondContact O-N 2.98Å; C681-C685 PolarHBondContact O-SG 3.17Å; C681-C685 VanDerWaalsContact O-SG 3.37Å |
| 682 | A | 60.5 | Low | 56 | Low | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.008 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V678 E679 C685 L686 L711 | V678-A682 VanDerWaalsContact O-CB 3.31Å; V678-A682 WeakPolarHBondContact O-CB 3.28Å; V678-A682 PolarHBondContact O-N 2.88Å; E679-A682 PolarHBondContact O-N 3.38Å; A682-C685 PolarHBondContact O-N 2.89Å; A682-L686 WeakPolarHBondContact O-CB 3.39Å; A682-L686 VanDerWaalsContact O-CG 3.31Å; A682-L686 WeakPolarHBondContact O-CG 3.39Å; A682-L686 PolarHBondContact O-N 3.42Å; A682-L711 HydrophobicContact CB-CD2 4.46Å |
| 683 | L | 57.7 | Low | 56.5 | Low | 35 Ų | 35 | 75.1 Ų | 75.1 | 18% | 0.183 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 172.4 | -78.1 | 162.8 | 0 | 0 | 0 | 112 | E679 Q680 C681 L686 R687 L711 I715 | E679-L683 HydrophobicContact CG-CD1 3.95Å; E679-L683 VanDerWaalsContact O-CB 3.31Å; E679-L683 WeakPolarHBondContact O-CB 3.31Å; E679-L683 WeakPolarHBondContact O-CD1 3.28Å; E679-L683 VanDerWaalsContact O-CG 3.24Å; E679-L683 WeakPolarHBondContact O-CG 3.27Å; E679-L683 PolarHBondContact O-N 2.95Å; Q680-L683 PolarHBondContact O-N 2.87Å; C681-L683 VanDerWaalsContact C-N 3.34Å; C681-L683 PolarHBondContact O-N 3.31Å; L683-L686 PolarHBondContact O-N 2.87Å; L683-R687 WeakPolarHBondContact O-CB 3.29Å; L683-R687 WeakPolarHBondContact O-CG 3.32Å; L683-R687 PolarHBondContact O-N 3.15Å; L683-L711 HydrophobicContact CD2-CD2 4.04Å; L683-L711 HydrophobicContact CG-CD2 3.86Å; L683-I715 HydrophobicContact CD2-CD1 3.51Å; L683-I715 HydrophobicContact CD2-CG1 3.32Å |
| 684 | R | 56.1 | Low | 56.8 | Low | 151 Ų | 151 | 77.1 Ų | 77.1 | 57% | 0.57 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | 175.9 | -76.3 | 170.3 | -168.3 | -175.1 | 7.3 | 111.2 | Q680 C681 R687 L688 | Q680-R684 WeakPolarHBondContact O-CB 3.44Å; Q680-R684 WeakPolarHBondContact O-CG 3.5Å; Q680-R684 PolarHBondContact O-N 2.98Å; C681-R684 WeakPolarHBondContact O-CB 3.39Å; C681-R684 PolarHBondContact O-N 3.25Å; R684-R687 PolarHBondContact O-N 3.44Å; R684-L688 WeakPolarHBondContact O-CB 3.4Å; R684-L688 WeakPolarHBondContact O-CD1 3.33Å; R684-L688 WeakPolarHBondContact O-CG 3.18Å; R684-L688 PolarHBondContact O-N 3.23Å |
| 685 | C | 59.7 | Low | 57.1 | Low | 14 Ų | 14 | 79.1 Ų | 79.1 | 10% | 0.095 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 175.8 | -71.1 | 0 | 0 | 0 | 0 | 111.2 | L664 C681 A682 L688 I689 | L664-C685 HydrophobicContact CD2-CB 4.15Å; C681-C685 PolarHBondContact O-N 2.98Å; C681-C685 PolarHBondContact O-SG 3.17Å; C681-C685 VanDerWaalsContact O-SG 3.37Å; A682-C685 PolarHBondContact O-N 2.89Å; C685-L688 PolarHBondContact O-N 2.8Å; C685-I689 WeakPolarHBondContact O-CB 3.28Å; C685-I689 WeakPolarHBondContact O-CD1 3.49Å; C685-I689 WeakPolarHBondContact O-CG1 3.5Å; C685-I689 PolarHBondContact O-N 2.89Å |
| 686 | L | 62.3 | Low | 57.2 | Low | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.016 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | 177 | -72.5 | 167.1 | 0 | 0 | 0 | 112.4 | L664 A682 L683 I689 L690 L704 I715 | L664-L686 HydrophobicContact CD2-CD2 4.35Å; L664-L686 HydrophobicContact CD2-CG 4.21Å; A682-L686 WeakPolarHBondContact O-CB 3.39Å; A682-L686 VanDerWaalsContact O-CG 3.31Å; A682-L686 WeakPolarHBondContact O-CG 3.39Å; A682-L686 PolarHBondContact O-N 3.42Å; L683-L686 PolarHBondContact O-N 2.87Å; L686-I689 PolarHBondContact O-N 3.2Å; L686-L690 WeakPolarHBondContact O-CG 3.36Å; L686-L690 PolarHBondContact O-N 3.42Å; L686-L704 HydrophobicContact CD2-CD2 4.39Å; L686-I715 HydrophobicContact CB-CD1 3.47Å; L686-I715 VanDerWaalsContact CB-CD1 3.47Å; L686-I715 HydrophobicContact CD1-CD1 3.42Å; L686-I715 VanDerWaalsContact CD1-CD1 3.42Å; L686-I715 HydrophobicContact CG-CD1 4.05Å |
| 687 | R | 56.5 | Low | 57.6 | Low | 124 Ų | 124 | 79.7 Ų | 79.7 | 47% | 0.468 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 173.3 | -78 | -177 | -178.7 | 178.4 | 3.2 | 112.5 | L683 R684 L690 W691 E718 | L683-R687 WeakPolarHBondContact O-CB 3.29Å; L683-R687 WeakPolarHBondContact O-CG 3.32Å; L683-R687 PolarHBondContact O-N 3.15Å; R684-R687 PolarHBondContact O-N 3.44Å; R687-L690 PolarHBondContact O-N 3.01Å; R687-W691 WeakPolarHBondContact O-CB 3.39Å; R687-W691 PolarHBondContact O-N 3.48Å; R687-E718 IonicContact NH2-OE2 3.89Å; R687-E718 PolarHBondContact NH2-OE2 2.9Å; R687-E718 VanDerWaalsContact NH2-OE2 3.16Å |
| 688 | L | 57 | Low | 58.3 | Low | 76 Ų | 76 | 78.2 Ų | 78.2 | 40% | 0.398 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 173.5 | -77.2 | 160.7 | 0 | 0 | 0 | 110.7 | R684 C685 L690 W691 F692 | R684-L688 WeakPolarHBondContact O-CB 3.4Å; R684-L688 WeakPolarHBondContact O-CD1 3.33Å; R684-L688 WeakPolarHBondContact O-CG 3.18Å; R684-L688 PolarHBondContact O-N 3.23Å; C685-L688 PolarHBondContact O-N 2.8Å; L688-L690 VanDerWaalsContact C-N 3.33Å; L688-L690 PolarHBondContact O-N 3.28Å; L688-W691 PolarHBondContact O-N 3.39Å; L688-F692 HydrophobicContact CB-CD2 4.46Å; L688-F692 HydrophobicContact CD2-CD2 4.34Å; L688-F692 HydrophobicContact CD2-CE2 3.82Å; L688-F692 VanDerWaalsContact O-CD2 3.31Å; L688-F692 WeakPolarHBondContact O-CD2 3.5Å; L688-F692 PolarHBondContact O-N 2.82Å |
| 689 | I | 60.6 | Low | 58.8 | Low | 16 Ų | 16 | 85 Ų | 85 | 8% | 0.082 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 174.4 | -68.7 | 163.5 | 0 | 0 | 0 | 110.5 | C685 L686 Q693 L700 | C685-I689 WeakPolarHBondContact O-CB 3.28Å; C685-I689 WeakPolarHBondContact O-CD1 3.49Å; C685-I689 WeakPolarHBondContact O-CG1 3.5Å; C685-I689 PolarHBondContact O-N 2.89Å; L686-I689 PolarHBondContact O-N 3.2Å; I689-Q693 WeakPolarHBondContact O-CB 3.38Å; I689-Q693 PolarHBondContact O-N 3.32Å; I689-L700 HydrophobicContact CG2-CD1 3.95Å; I689-L700 HydrophobicContact CG2-CD2 4.18Å |
| 690 | L | 59.2 | Low | 59.2 | Low | 10 Ų | 10 | 81.8 Ų | 81.8 | 5% | 0.052 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 176 | -74.5 | 168.6 | 0 | 0 | 0 | 113.4 | L686 R687 L688 R697 L700 L701 I715 E719 | L686-L690 WeakPolarHBondContact O-CG 3.36Å; L686-L690 PolarHBondContact O-N 3.42Å; R687-L690 PolarHBondContact O-N 3.01Å; L688-L690 VanDerWaalsContact C-N 3.33Å; L688-L690 PolarHBondContact O-N 3.28Å; L690-R697 HydrophobicContact CD2-CG 4.35Å; L690-L700 HydrophobicContact CD2-CD2 4.43Å; L690-L701 HydrophobicContact CD2-CD2 4.36Å; L690-L701 HydrophobicContact CD2-CG 4.44Å; L690-I715 HydrophobicContact CD1-CG2 3.69Å; L690-E719 HydrophobicContact CD1-CG 4.41Å |
| 691 | W | 53.7 | Low | 60 | Low | 204 Ų | 204 | 77.8 Ų | 77.8 | 77% | 0.773 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -78.6 | -40.7 | -176.7 | -158 | 31.8 | 0 | 0 | 0 | 112.7 | R687 L688 | R687-W691 WeakPolarHBondContact O-CB 3.39Å; R687-W691 PolarHBondContact O-N 3.48Å; L688-W691 PolarHBondContact O-N 3.39Å |
| 692 | F | 54.8 | Low | 60.6 | Low | 156 Ų | 156 | 78.8 Ų | 78.8 | 68% | 0.684 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -73.9 | -27.6 | 177.6 | -81.2 | -71.5 | 0 | 0 | 0 | 113.4 | L688 | L688-F692 HydrophobicContact CB-CD2 4.46Å; L688-F692 HydrophobicContact CD2-CD2 4.34Å; L688-F692 HydrophobicContact CD2-CE2 3.82Å; L688-F692 VanDerWaalsContact O-CD2 3.31Å; L688-F692 WeakPolarHBondContact O-CD2 3.5Å; L688-F692 PolarHBondContact O-N 2.82Å |
| 693 | Q | 58.5 | Low | 61.1 | Low | 77 Ų | 77 | 81.9 Ų | 81.9 | 36% | 0.36 | 39% | 0.389 | S | S | . | . | trans | -106.3 | 51.4 | -174.7 | -64.7 | -74.4 | -23.6 | 0 | 0 | 113.2 | I689 G695 N696 | I689-Q693 WeakPolarHBondContact O-CB 3.38Å; I689-Q693 PolarHBondContact O-N 3.32Å; Q693-G695 PolarHBondContact O-N 2.93Å; Q693-N696 PolarHBondContact O-N 3.31Å | ||
| 694 | K | 53.5 | Low | 61.7 | Low | 169 Ų | 169 | 80.3 Ų | 80.3 | 74% | 0.735 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -47.9 | -32.8 | 179.3 | -104.9 | -175.8 | 178.6 | 179.4 | 0 | 114.3 | ||
| 695 | G | 59.8 | Low | 62.3 | Low | 80 Ų | 80 | 79.6 Ų | 79.6 | 83% | 0.825 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -78 | -23.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q693 | Q693-G695 PolarHBondContact O-N 2.93Š|
| 696 | N | 61.6 | Low | 62.8 | Low | 56 Ų | 56 | 85 Ų | 85 | 30% | 0.299 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -111.8 | 12.4 | 179.5 | -84.9 | -39.2 | 0 | 0 | 0 | 112.6 | Q693 D698 R699 L700 | Q693-N696 PolarHBondContact O-N 3.31Å; N696-D698 VanDerWaalsContact C-N 3.27Å; N696-D698 PolarHBondContact O-N 3.44Å; N696-D698 VanDerWaalsContact O-N 3.17Å; N696-R699 PolarHBondContact O-N 2.86Å; N696-R699 VanDerWaalsContact O-N 3.07Å; N696-L700 PolarHBondContact O-N 3.45Å |
| 697 | R | 61.6 | Low | 63 | Low | 88 Ų | 88 | 85.6 Ų | 85.6 | 33% | 0.332 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -52.4 | -42.5 | -171.9 | -169.2 | 178.2 | -180 | 175.4 | -0.2 | 112.6 | L690 L700 L701 E719 | L690-R697 HydrophobicContact CD2-CG 4.35Å; R697-L700 PolarHBondContact O-N 3.18Å; R697-L701 HydrophobicContact CG-CD1 4.09Å; R697-L701 WeakPolarHBondContact O-CB 3.45Å; R697-L701 VanDerWaalsContact O-CG 3.3Å; R697-L701 WeakPolarHBondContact O-CG 3.26Å; R697-L701 PolarHBondContact O-N 3.37Å; R697-E719 IonicContact CZ-OE2 3.44Å; R697-E719 IonicContact NH2-OE2 3.61Å; R697-E719 PolarHBondContact NH2-OE2 3.34Å |
| 698 | D | 66.9 | Low | 63.2 | Low | 129 Ų | 129 | 86.8 Ų | 86.8 | 69% | 0.69 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67.7 | -41.5 | 179.6 | -70.4 | -25.9 | 0 | 0 | 0 | 113.2 | N696 L700 L701 T702 | N696-D698 VanDerWaalsContact C-N 3.27Å; N696-D698 PolarHBondContact O-N 3.44Å; N696-D698 VanDerWaalsContact O-N 3.17Å; D698-L700 VanDerWaalsContact C-N 3.35Å; D698-L701 PolarHBondContact O-N 2.76Å; D698-T702 WeakPolarHBondContact O-CB 3.42Å; D698-T702 PolarHBondContact O-N 3.17Å; D698-T702 PolarHBondContact O-OG1 3.38Å |
| 699 | R | 64.9 | Low | 63.7 | Low | 172 Ų | 172 | 86.6 Ų | 86.6 | 65% | 0.649 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.5 | -42.5 | 175.2 | -75.1 | -177.5 | 176.8 | 176.3 | -1.4 | 111.1 | N696 T702 V703 | N696-R699 PolarHBondContact O-N 2.86Å; N696-R699 VanDerWaalsContact O-N 3.07Å; R699-T702 WeakPolarHBondContact O-CB 3.37Å; R699-T702 PolarHBondContact O-N 3.07Å; R699-T702 VanDerWaalsContact O-N 3.16Å; R699-V703 WeakPolarHBondContact O-CG2 3.13Å; R699-V703 PolarHBondContact O-N 2.82Å |
| 700 | L | 65.6 | Low | 63.9 | Low | 4 Ų | 4 | 89.8 Ų | 89.8 | 2% | 0.021 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.2 | -43 | 179.3 | -129.9 | 146.2 | 0 | 0 | 0 | 111 | I689 L690 N696 R697 D698 T702 V703 L704 | I689-L700 HydrophobicContact CG2-CD1 3.95Å; I689-L700 HydrophobicContact CG2-CD2 4.18Å; L690-L700 HydrophobicContact CD2-CD2 4.43Å; N696-L700 PolarHBondContact O-N 3.45Å; R697-L700 PolarHBondContact O-N 3.18Å; D698-L700 VanDerWaalsContact C-N 3.35Å; L700-T702 VanDerWaalsContact C-N 3.28Å; L700-T702 PolarHBondContact O-N 3.14Å; L700-V703 PolarHBondContact O-N 3.35Å; L700-L704 HydrophobicContact CD2-CD1 3.98Å; L700-L704 HydrophobicContact CD2-CG 4.38Å; L700-L704 WeakPolarHBondContact O-CB 3.17Å; L700-L704 WeakPolarHBondContact O-CG 3.28Å; L700-L704 PolarHBondContact O-N 2.92Å |
| 701 | L | 71.4 | Confident | 64.2 | Low | 21 Ų | 21 | 90.1 Ų | 90.1 | 11% | 0.11 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.4 | -32.9 | 171.4 | -73.2 | 171.9 | 0 | 0 | 0 | 112.2 | L690 R697 D698 R705 A716 | L690-L701 HydrophobicContact CD2-CD2 4.36Å; L690-L701 HydrophobicContact CD2-CG 4.44Å; R697-L701 HydrophobicContact CG-CD1 4.09Å; R697-L701 WeakPolarHBondContact O-CB 3.45Å; R697-L701 VanDerWaalsContact O-CG 3.3Å; R697-L701 WeakPolarHBondContact O-CG 3.26Å; R697-L701 PolarHBondContact O-N 3.37Å; D698-L701 PolarHBondContact O-N 2.76Å; L701-R705 VanDerWaalsContact O-CB 3.3Å; L701-R705 WeakPolarHBondContact O-CB 3.33Å; L701-R705 WeakPolarHBondContact O-CG 3.41Å; L701-R705 PolarHBondContact O-N 2.85Å; L701-A716 HydrophobicContact CD2-CB 4.42Å |
| 702 | T | 71.7 | Confident | 65 | Low | 68 Ų | 68 | 80.4 Ų | 80.4 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70 | -45.2 | 175.6 | -51 | 0 | 0 | 0 | 0 | 111.6 | D698 R699 L700 R705 N706 | D698-T702 WeakPolarHBondContact O-CB 3.42Å; D698-T702 PolarHBondContact O-N 3.17Å; D698-T702 PolarHBondContact O-OG1 3.38Å; R699-T702 WeakPolarHBondContact O-CB 3.37Å; R699-T702 PolarHBondContact O-N 3.07Å; R699-T702 VanDerWaalsContact O-N 3.16Å; L700-T702 VanDerWaalsContact C-N 3.28Å; L700-T702 PolarHBondContact O-N 3.14Å; T702-R705 PolarHBondContact O-N 3.16Å; T702-N706 WeakPolarHBondContact O-CB 3.45Å; T702-N706 PolarHBondContact O-N 3.03Å |
| 703 | V | 69.6 | Low | 65.7 | Low | 67 Ų | 67 | 77.5 Ų | 77.5 | 41% | 0.406 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 174.1 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | R699 L700 R705 N706 S707 | R699-V703 WeakPolarHBondContact O-CG2 3.13Å; R699-V703 PolarHBondContact O-N 2.82Å; L700-V703 PolarHBondContact O-N 3.35Å; V703-R705 PolarHBondContact O-N 3.39Å; V703-N706 PolarHBondContact O-N 3.47Å; V703-S707 VanDerWaalsContact O-CB 3.28Å; V703-S707 WeakPolarHBondContact O-CB 3.43Å; V703-S707 PolarHBondContact O-N 2.79Å |
| 704 | L | 70.4 | Confident | 66.2 | Low | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 177.9 | -69.2 | 170.5 | 0 | 0 | 0 | 112.3 | V661 L665 L686 L700 S707 A712 | V661-L704 HydrophobicContact CG1-CD2 4.43Å; L665-L704 HydrophobicContact CD1-CD2 4.48Å; L686-L704 HydrophobicContact CD2-CD2 4.39Å; L700-L704 HydrophobicContact CD2-CD1 3.98Å; L700-L704 HydrophobicContact CD2-CG 4.38Å; L700-L704 WeakPolarHBondContact O-CB 3.17Å; L700-L704 WeakPolarHBondContact O-CG 3.28Å; L700-L704 PolarHBondContact O-N 2.92Å; L704-S707 PolarHBondContact O-OG 3.31Å; L704-A712 HydrophobicContact CB-CB 4.14Å; L704-A712 HydrophobicContact CD2-CB 3.66Å; L704-A712 WeakPolarHBondContact O-CB 3.43Å |
| 705 | R | 68.6 | Low | 67 | Low | 137 Ų | 137 | 69.4 Ų | 69.4 | 52% | 0.517 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 174.9 | -82.3 | 177.4 | -178.5 | 177.6 | 4.4 | 113.3 | L701 T702 V703 S707 A716 | L701-R705 VanDerWaalsContact O-CB 3.3Å; L701-R705 WeakPolarHBondContact O-CB 3.33Å; L701-R705 WeakPolarHBondContact O-CG 3.41Å; L701-R705 PolarHBondContact O-N 2.85Å; T702-R705 PolarHBondContact O-N 3.16Å; V703-R705 PolarHBondContact O-N 3.39Å; R705-S707 VanDerWaalsContact C-N 3.27Å; R705-A716 HydrophobicContact CG-CB 3.99Å |
| 706 | N | 69.8 | Low | 67.5 | Low | 127 Ų | 127 | 65.6 Ų | 65.6 | 68% | 0.679 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -78.6 | -14.4 | -178.7 | -70.5 | -8.8 | 0 | 0 | 0 | 112.7 | T702 V703 | T702-N706 WeakPolarHBondContact O-CB 3.45Å; T702-N706 PolarHBondContact O-N 3.03Å; V703-N706 PolarHBondContact O-N 3.47Å |
| 707 | S | 66.6 | Low | 67.7 | Low | 15 Ų | 15 | 67.7 Ų | 67.7 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -73.9 | 141.7 | 179 | 80.1 | 0 | 0 | 0 | 0 | 111.6 | V703 L704 R705 Y709 A712 K713 | V703-S707 VanDerWaalsContact O-CB 3.28Å; V703-S707 WeakPolarHBondContact O-CB 3.43Å; V703-S707 PolarHBondContact O-N 2.79Å; L704-S707 PolarHBondContact O-OG 3.31Å; R705-S707 VanDerWaalsContact C-N 3.27Å; S707-Y709 PolarHBondContact O-N 2.95Å; S707-Y709 VanDerWaalsContact O-N 3.16Å; S707-A712 WeakPolarHBondContact OG-CB 3.43Å; S707-K713 WeakPolarHBondContact O-CE 3.25Å |
| 708 | D | 62.2 | Low | 67.9 | Low | 149 Ų | 149 | 67.7 Ų | 67.7 | 80% | 0.797 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -71.2 | -5.9 | -179.6 | -69.6 | -42.2 | 0 | 0 | 0 | 113.5 | ||
| 709 | Y | 66.2 | Low | 67.7 | Low | 73 Ų | 73 | 63.4 Ų | 63.4 | 29% | 0.286 | 31% | 0.314 | S | S | . | . | trans | -78.6 | 131 | -174.3 | -49.4 | -82 | 0 | 0 | 0 | 112.9 | L665 Q669 S707 L711 A712 K713 | L665-Y709 HydrophobicContact CB-CD1 4.26Å; L665-Y709 HydrophobicContact CB-CD2 3.99Å; L665-Y709 HydrophobicContact CB-CE1 4.22Å; L665-Y709 HydrophobicContact CB-CE2 4.01Å; L665-Y709 HydrophobicContact CB-CG 4.15Å; L665-Y709 HydrophobicContact CD1-CD2 3.69Å; L665-Y709 HydrophobicContact CD1-CE2 4.01Å; L665-Y709 HydrophobicContact CD1-CG 4.39Å; L665-Y709 HydrophobicContact CD2-CD2 4.43Å; L665-Y709 HydrophobicContact CD2-CG 4.35Å; L665-Y709 HydrophobicContact CG-CD2 4.25Å; Q669-Y709 VanDerWaalsContact OE1-CE1 3.25Å; S707-Y709 PolarHBondContact O-N 2.95Å; S707-Y709 VanDerWaalsContact O-N 3.16Å; Y709-L711 PolarHBondContact O-N 3.04Å; Y709-A712 PolarHBondContact O-N 2.73Å; Y709-K713 PolarHBondContact O-N 2.85Å | ||
| 710 | S | 65.8 | Low | 67.6 | Low | 83 Ų | 83 | 56.9 Ų | 56.9 | 58% | 0.58 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | -178.9 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | A712 K713 I714 | S710-A712 VanDerWaalsContact C-N 3.29Å; S710-A712 PolarHBondContact O-N 3.22Å; S710-K713 PolarHBondContact O-N 3.39Å; S710-K713 VanDerWaalsContact O-N 3.17Å; S710-I714 WeakPolarHBondContact O-CG1 3.18Å; S710-I714 PolarHBondContact O-N 3.32Å |
| 711 | L | 66.1 | Low | 67.1 | Low | 16 Ų | 16 | 65.3 Ų | 65.3 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.6 | -39 | 178.2 | -118.6 | 130.4 | 0 | 0 | 0 | 112.2 | L674 E679 A682 L683 Y709 I714 I715 | L674-L711 HydrophobicContact CD2-CD1 3.47Å; L674-L711 VanDerWaalsContact CD2-CD1 3.47Å; E679-L711 HydrophobicContact CG-CD1 4.17Å; E679-L711 HydrophobicContact CG-CD2 4.43Å; A682-L711 HydrophobicContact CB-CD2 4.46Å; L683-L711 HydrophobicContact CD2-CD2 4.04Å; L683-L711 HydrophobicContact CG-CD2 3.86Å; Y709-L711 PolarHBondContact O-N 3.04Å; L711-I714 PolarHBondContact O-N 3.03Å; L711-I715 PolarHBondContact O-N 2.98Å |
| 712 | A | 68.5 | Low | 66.3 | Low | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L665 L704 S707 Y709 S710 A716 | L665-A712 HydrophobicContact CD2-CB 4.35Å; L704-A712 HydrophobicContact CB-CB 4.14Å; L704-A712 HydrophobicContact CD2-CB 3.66Å; L704-A712 WeakPolarHBondContact O-CB 3.43Å; S707-A712 WeakPolarHBondContact OG-CB 3.43Å; Y709-A712 PolarHBondContact O-N 2.73Å; S710-A712 VanDerWaalsContact C-N 3.29Å; S710-A712 PolarHBondContact O-N 3.22Å; A712-A716 VanDerWaalsContact O-CB 3.31Å; A712-A716 WeakPolarHBondContact O-CB 3.36Å; A712-A716 PolarHBondContact O-N 2.88Å |
| 713 | K | 70.4 | Confident | 65.6 | Low | 96 Ų | 96 | 69.9 Ų | 69.9 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 174.5 | -69.7 | 175.2 | -178.6 | 167.3 | 0 | 112.6 | S707 Y709 S710 N717 | S707-K713 WeakPolarHBondContact O-CE 3.25Å; Y709-K713 PolarHBondContact O-N 2.85Å; S710-K713 PolarHBondContact O-N 3.39Å; S710-K713 VanDerWaalsContact O-N 3.17Å; K713-N717 WeakPolarHBondContact O-CB 3.41Å; K713-N717 PolarHBondContact O-N 3.13Å; K713-N717 PolarHBondContact O-ND2 3.34Å |
| 714 | I | 69.8 | Low | 64.7 | Low | 75 Ų | 75 | 75.5 Ų | 75.5 | 39% | 0.385 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.7 | -52.9 | 178.6 | -68.3 | 165.4 | 0 | 0 | 0 | 110.9 | S710 L711 A716 N717 E718 | S710-I714 WeakPolarHBondContact O-CG1 3.18Å; S710-I714 PolarHBondContact O-N 3.32Å; L711-I714 PolarHBondContact O-N 3.03Å; I714-A716 VanDerWaalsContact C-N 3.35Å; I714-A716 PolarHBondContact O-N 3.15Å; I714-N717 PolarHBondContact O-N 3.36Å; I714-E718 PolarHBondContact O-N 3.21Å |
| 715 | I | 69.7 | Low | 63.5 | Low | 1 Ų | 1 | 82.5 Ų | 82.5 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 179.7 | -63.8 | 175.9 | 0 | 0 | 0 | 110.8 | L683 L686 L690 L711 N717 E718 E719 | L683-I715 HydrophobicContact CD2-CD1 3.51Å; L683-I715 HydrophobicContact CD2-CG1 3.32Å; L686-I715 HydrophobicContact CB-CD1 3.47Å; L686-I715 VanDerWaalsContact CB-CD1 3.47Å; L686-I715 HydrophobicContact CD1-CD1 3.42Å; L686-I715 VanDerWaalsContact CD1-CD1 3.42Å; L686-I715 HydrophobicContact CG-CD1 4.05Å; L690-I715 HydrophobicContact CD1-CG2 3.69Å; L711-I715 PolarHBondContact O-N 2.98Å; I715-N717 PolarHBondContact O-N 3.48Å; I715-E718 PolarHBondContact O-N 2.9Å; I715-E719 HydrophobicContact CG2-CG 4.36Å; I715-E719 WeakPolarHBondContact O-CB 3.46Å; I715-E719 PolarHBondContact O-N 3.36Å; I715-E719 VanDerWaalsContact O-N 3.12Å |
| 716 | A | 69.7 | Low | 62 | Low | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.5 | -35.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L701 R705 A712 I714 T720 | L701-A716 HydrophobicContact CD2-CB 4.42Å; R705-A716 HydrophobicContact CG-CB 3.99Å; A712-A716 VanDerWaalsContact O-CB 3.31Å; A712-A716 WeakPolarHBondContact O-CB 3.36Å; A712-A716 PolarHBondContact O-N 2.88Å; I714-A716 VanDerWaalsContact C-N 3.35Å; I714-A716 PolarHBondContact O-N 3.15Å; A716-T720 WeakPolarHBondContact O-CG2 3.35Å; A716-T720 PolarHBondContact O-N 3.12Å; A716-T720 PolarHBondContact O-OG1 3.33Å |
| 717 | N | 67.2 | Low | 60.5 | Low | 100 Ų | 100 | 79.1 Ų | 79.1 | 54% | 0.535 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -76.1 | -43.2 | 177.8 | -73.6 | -20.7 | 0 | 0 | 0 | 113.2 | K713 I714 I715 T720 R721 | K713-N717 WeakPolarHBondContact O-CB 3.41Å; K713-N717 PolarHBondContact O-N 3.13Å; K713-N717 PolarHBondContact O-ND2 3.34Å; I714-N717 PolarHBondContact O-N 3.36Å; I715-N717 PolarHBondContact O-N 3.48Å; N717-T720 PolarHBondContact O-N 3.26Å; N717-T720 PolarHBondContact O-OG1 3Å; N717-R721 WeakPolarHBondContact O-CB 3.48Å; N717-R721 PolarHBondContact O-N 3.47Å; N717-R721 VanDerWaalsContact O-N 3.08Å |
| 718 | E | 64.3 | Low | 59.4 | Low | 87 Ų | 87 | 84 Ų | 84 | 41% | 0.407 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 178.6 | -74.5 | -167.6 | 158.4 | 0 | 0 | 112.4 | R687 I714 I715 T720 R721 L722 | R687-E718 IonicContact NH2-OE2 3.89Å; R687-E718 PolarHBondContact NH2-OE2 2.9Å; R687-E718 VanDerWaalsContact NH2-OE2 3.16Å; I714-E718 PolarHBondContact O-N 3.21Å; I715-E718 PolarHBondContact O-N 2.9Å; E718-T720 VanDerWaalsContact C-N 3.33Å; E718-T720 PolarHBondContact O-N 3.48Å; E718-R721 WeakPolarHBondContact O-CB 3.47Å; E718-R721 PolarHBondContact O-N 3.36Å; E718-L722 PolarHBondContact O-N 2.82Å |
| 719 | E | 63.2 | Low | 58.6 | Low | 40 Ų | 40 | 85.5 Ų | 85.5 | 19% | 0.187 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 178.8 | -76.9 | -70.7 | 149.4 | 0 | 0 | 111.3 | L690 R697 I715 R721 L722 D723 | L690-E719 HydrophobicContact CD1-CG 4.41Å; R697-E719 IonicContact CZ-OE2 3.44Å; R697-E719 IonicContact NH2-OE2 3.61Å; R697-E719 PolarHBondContact NH2-OE2 3.34Å; I715-E719 HydrophobicContact CG2-CG 4.36Å; I715-E719 WeakPolarHBondContact O-CB 3.46Å; I715-E719 PolarHBondContact O-N 3.36Å; I715-E719 VanDerWaalsContact O-N 3.12Å; E719-R721 VanDerWaalsContact C-N 3.26Å; E719-R721 PolarHBondContact O-N 3.46Å; E719-L722 PolarHBondContact O-N 3.41Å; E719-D723 PolarHBondContact O-N 3.21Å; E719-D723 VanDerWaalsContact O-N 3.12Å |
| 720 | T | 62.1 | Low | 57.2 | Low | 35 Ų | 35 | 84.8 Ų | 84.8 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.5 | -27.4 | 175.9 | 63.2 | 0 | 0 | 0 | 0 | 113.3 | A716 N717 E718 K724 | A716-T720 WeakPolarHBondContact O-CG2 3.35Å; A716-T720 PolarHBondContact O-N 3.12Å; A716-T720 PolarHBondContact O-OG1 3.33Å; N717-T720 PolarHBondContact O-N 3.26Å; N717-T720 PolarHBondContact O-OG1 3Å; E718-T720 VanDerWaalsContact C-N 3.33Å; E718-T720 PolarHBondContact O-N 3.48Å; T720-K724 WeakPolarHBondContact O-CB 3.34Å; T720-K724 WeakPolarHBondContact O-CG 3.25Å; T720-K724 PolarHBondContact O-N 2.89Å; T720-K724 VanDerWaalsContact O-N 3.17Å |
| 721 | R | 56.9 | Low | 55.8 | Low | 181 Ų | 181 | 86.5 Ų | 86.5 | 68% | 0.683 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -78.9 | -35.1 | 180 | -156.4 | 177.9 | -178 | -173.3 | 0.6 | 111.9 | N717 E718 E719 K725 | N717-R721 WeakPolarHBondContact O-CB 3.48Å; N717-R721 PolarHBondContact O-N 3.47Å; N717-R721 VanDerWaalsContact O-N 3.08Å; E718-R721 WeakPolarHBondContact O-CB 3.47Å; E718-R721 PolarHBondContact O-N 3.36Å; E719-R721 VanDerWaalsContact C-N 3.26Å; E719-R721 PolarHBondContact O-N 3.46Å; R721-K725 PolarHBondContact O-N 3.48Å |
| 722 | L | 52.6 | Low | 54.8 | Low | 80 Ų | 80 | 88.7 Ų | 88.7 | 42% | 0.419 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 174.1 | -72.7 | 171.7 | 0 | 0 | 0 | 111.7 | E718 E719 K725 L728 | E718-L722 PolarHBondContact O-N 2.82Å; E719-L722 PolarHBondContact O-N 3.41Å; L722-K725 PolarHBondContact O-N 3.33Å; L722-L728 HydrophobicContact CB-CD1 3.8Å; L722-L728 HydrophobicContact CD1-CD1 3.91Å; L722-L728 HydrophobicContact CD2-CD1 4.11Å; L722-L728 HydrophobicContact CG-CD1 4.15Å |
| 723 | D | 58.4 | Low | 53.4 | Low | 104 Ų | 104 | 93.5 Ų | 93.5 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67 | -40.5 | 175.8 | -150.8 | 37.9 | 0 | 0 | 0 | 111.4 | E719 K725 G726 | E719-D723 PolarHBondContact O-N 3.21Å; E719-D723 VanDerWaalsContact O-N 3.12Å; D723-K725 VanDerWaalsContact C-N 3.3Å; D723-K725 PolarHBondContact O-N 3.25Å; D723-G726 PolarHBondContact O-N 3.08Å |
| 724 | K | 51 | Low | 52 | Low | 185 Ų | 185 | 92 Ų | 92 | 80% | 0.804 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.7 | -26.2 | 175.7 | -82.5 | -179.3 | 179 | -177.8 | 0 | 115 | T720 | T720-K724 WeakPolarHBondContact O-CB 3.34Å; T720-K724 WeakPolarHBondContact O-CG 3.25Å; T720-K724 PolarHBondContact O-N 2.89Å; T720-K724 VanDerWaalsContact O-N 3.17Å |
| 725 | K | 44.1 | Very low | 50.5 | Low | 149 Ų | 149 | 96.4 Ų | 96.4 | 65% | 0.648 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -5 | -178.1 | -85.9 | -171.3 | 176.1 | -176.9 | 0 | 114.2 | R721 L722 D723 K727 | R721-K725 PolarHBondContact O-N 3.48Å; L722-K725 PolarHBondContact O-N 3.33Å; D723-K725 VanDerWaalsContact C-N 3.3Å; D723-K725 PolarHBondContact O-N 3.25Å; K725-K727 PolarHBondContact O-N 3.05Å |
| 726 | G | 37.9 | Very low | 49.3 | Very low | 47 Ų | 47 | 100.9 Ų | 100.9 | 49% | 0.485 | 51% | 0.512 | S | S | . | . | trans | 64.5 | -15.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | D723 L728 R729 | D723-G726 PolarHBondContact O-N 3.08Å; G726-L728 VanDerWaalsContact C-N 3.32Å; G726-L728 PolarHBondContact O-N 2.94Å; G726-R729 PolarHBondContact O-N 3.06Å | ||
| 727 | K | 36.9 | Very low | 48.1 | Very low | 146 Ų | 146 | 105.8 Ų | 105.8 | 64% | 0.635 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.7 | -32.7 | -173.6 | -76.3 | -166.6 | 170.8 | -161.9 | 0 | 115 | K725 R729 A730 D731 | K725-K727 PolarHBondContact O-N 3.05Å; K727-R729 VanDerWaalsContact C-N 3.26Å; K727-R729 PolarHBondContact O-N 2.98Å; K727-A730 PolarHBondContact O-N 3.41Å; K727-D731 PolarHBondContact O-N 2.92Å |
| 728 | L | 43.7 | Very low | 46.6 | Very low | 118 Ų | 118 | 107.4 Ų | 107.4 | 62% | 0.618 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71 | -22.3 | -173.6 | -125.6 | 142.4 | 0 | 0 | 0 | 113.2 | L722 G726 | L722-L728 HydrophobicContact CB-CD1 3.8Å; L722-L728 HydrophobicContact CD1-CD1 3.91Å; L722-L728 HydrophobicContact CD2-CD1 4.11Å; L722-L728 HydrophobicContact CG-CD1 4.15Å; G726-L728 VanDerWaalsContact C-N 3.32Å; G726-L728 PolarHBondContact O-N 2.94Å |
| 729 | R | 46.2 | Very low | 45.7 | Very low | 180 Ų | 180 | 106.1 Ų | 106.1 | 68% | 0.679 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -89.9 | -37.6 | 174.4 | -66.7 | -174.6 | -172.4 | 175.7 | 5.8 | 112.1 | G726 K727 D733 | G726-R729 PolarHBondContact O-N 3.06Å; K727-R729 VanDerWaalsContact C-N 3.26Å; K727-R729 PolarHBondContact O-N 2.98Å; R729-D733 WeakPolarHBondContact O-CB 3.32Å; R729-D733 VanDerWaalsContact O-CG 3.23Å; R729-D733 PolarHBondContact O-N 2.83Å |
| 730 | A | 36.8 | Very low | 44.8 | Very low | 58 Ų | 58 | 107.7 Ų | 107.7 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.6 | -42.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K727 A734 | K727-A730 PolarHBondContact O-N 3.41Å; A730-A734 WeakPolarHBondContact O-CB 3.35Å; A730-A734 PolarHBondContact O-N 3.3Å; A730-A734 VanDerWaalsContact O-N 3.07Å |
| 731 | D | 35.6 | Very low | 43.9 | Very low | 119 Ų | 119 | 109.5 Ų | 109.5 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73.7 | -31.9 | -174.9 | -69 | -20.3 | 0 | 0 | 0 | 112.7 | K727 | K727-D731 PolarHBondContact O-N 2.92Å |
| 732 | A | 45.5 | Very low | 42.9 | Very low | 61 Ų | 61 | 109.6 Ų | 109.6 | 50% | 0.504 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.8 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E736 | A732-E736 PolarHBondContact O-N 3.04Å |
| 733 | D | 39.8 | Very low | 42.7 | Very low | 102 Ų | 102 | 113.2 Ų | 113.2 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -77.9 | -37.8 | -175.9 | -67.5 | -15.8 | 0 | 0 | 0 | 112.1 | R729 F735 V737 | R729-D733 WeakPolarHBondContact O-CB 3.32Å; R729-D733 VanDerWaalsContact O-CG 3.23Å; R729-D733 PolarHBondContact O-N 2.83Å; D733-F735 PolarHBondContact O-N 3.26Å; D733-V737 VanDerWaalsContact O-CG2 3.3Å; D733-V737 WeakPolarHBondContact O-CG2 3.25Å; D733-V737 PolarHBondContact O-N 3.21Å |
| 734 | A | 39.8 | Very low | 42.2 | Very low | 65 Ų | 65 | 114.5 Ų | 114.5 | 54% | 0.537 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.4 | -39.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A730 | A730-A734 WeakPolarHBondContact O-CB 3.35Å; A730-A734 PolarHBondContact O-N 3.3Å; A730-A734 VanDerWaalsContact O-N 3.07Å |
| 735 | F | 39.4 | Very low | 41.6 | Very low | 167 Ų | 167 | 109.9 Ų | 109.9 | 73% | 0.732 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -75.9 | -32.3 | -177.4 | -162.3 | -94.4 | 0 | 0 | 0 | 112.9 | D733 V737 | D733-F735 PolarHBondContact O-N 3.26Å; F735-V737 VanDerWaalsContact C-N 3.33Å |
| 736 | E | 44.2 | Very low | 41.4 | Very low | 95 Ų | 95 | 112.5 Ų | 112.5 | 44% | 0.444 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.1 | -29.7 | 177.2 | -158.5 | 170.1 | -162.7 | 0 | 0 | 111.8 | A732 F740 K783 | A732-E736 PolarHBondContact O-N 3.04Å; E736-F740 HydrophobicContact CG-CD2 4.01Å; E736-F740 HydrophobicContact CG-CE2 4.19Å; E736-F740 VanDerWaalsContact O-CD2 3.29Å; E736-F740 WeakPolarHBondContact O-CD2 3.13Å; E736-K783 IonicContact OE1-NZ 3.87Å; E736-K783 PolarHBondContact OE1-NZ 3.44Å |
| 737 | V | 43.6 | Very low | 41.9 | Very low | 102 Ų | 102 | 120 Ų | 120 | 62% | 0.618 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.9 | -36.6 | 179.1 | 174.9 | 0 | 0 | 0 | 0 | 112.3 | D733 F735 S741 | D733-V737 VanDerWaalsContact O-CG2 3.3Å; D733-V737 WeakPolarHBondContact O-CG2 3.25Å; D733-V737 PolarHBondContact O-N 3.21Å; F735-V737 VanDerWaalsContact C-N 3.33Å; V737-S741 WeakPolarHBondContact O-CB 3.34Å; V737-S741 PolarHBondContact O-N 3.02Å; V737-S741 VanDerWaalsContact O-N 3.11Å; V737-S741 PolarHBondContact O-OG 3.36Å |
| 738 | E | 36.1 | Very low | 42.2 | Very low | 134 Ų | 134 | 121.9 Ų | 121.9 | 63% | 0.626 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78.8 | -40.3 | -174.4 | -162.9 | 152.2 | -170.8 | 0 | 0 | 114 | F740 S741 | E738-F740 VanDerWaalsContact C-N 3.34Å; E738-F740 PolarHBondContact O-N 3.17Å; E738-S741 PolarHBondContact O-OG 3.38Å |
| 739 | A | 45.2 | Very low | 41.6 | Very low | 60 Ų | 60 | 118.2 Ų | 118.2 | 50% | 0.496 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.6 | -32.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 740 | F | 45.7 | Very low | 41.3 | Very low | 74 Ų | 74 | 117.4 Ų | 117.4 | 33% | 0.325 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -91.1 | -26.9 | -177.5 | -75.6 | -75.8 | 0 | 0 | 0 | 113.4 | E736 E738 R742 Y743 K783 | E736-F740 HydrophobicContact CG-CD2 4.01Å; E736-F740 HydrophobicContact CG-CE2 4.19Å; E736-F740 VanDerWaalsContact O-CD2 3.29Å; E736-F740 WeakPolarHBondContact O-CD2 3.13Å; E738-F740 VanDerWaalsContact C-N 3.34Å; E738-F740 PolarHBondContact O-N 3.17Å; F740-R742 PolarHBondContact O-N 3.17Å; F740-Y743 PolarHBondContact O-N 2.85Å; F740-K783 HydrophobicContact CE1-CD 3.73Å; F740-K783 HydrophobicContact CE2-CD 4.2Å; F740-K783 HydrophobicContact CZ-CD 3.41Å; F740-K783 VanDerWaalsContact CZ-CD 3.41Å; F740-K783 VanDerWaalsContact CZ-CE 3.46Å; F740-K783 HydrophobicContact CZ-CG 4.47Å; F740-K783 VanDerWaalsContact CZ-NZ 3.27Å |
| 741 | S | 42.1 | Very low | 41.5 | Very low | 72 Ų | 72 | 123 Ų | 123 | 50% | 0.503 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.2 | -32.7 | -180 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | V737 E738 | V737-S741 WeakPolarHBondContact O-CB 3.34Å; V737-S741 PolarHBondContact O-N 3.02Å; V737-S741 VanDerWaalsContact O-N 3.11Å; V737-S741 PolarHBondContact O-OG 3.36Å; E738-S741 PolarHBondContact O-OG 3.38Å |
| 742 | R | 36.3 | Very low | 41.5 | Very low | 183 Ų | 183 | 123.5 Ų | 123.5 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -22 | 175.8 | -78.1 | -176.6 | 172.7 | 156.3 | -0.1 | 114.7 | F740 I744 | F740-R742 PolarHBondContact O-N 3.17Å; R742-I744 VanDerWaalsContact C-N 3.3Å; R742-I744 PolarHBondContact O-N 2.91Å |
| 743 | Y | 48.1 | Very low | 41.2 | Very low | 157 Ų | 157 | 124 Ų | 124 | 62% | 0.616 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -19.8 | -179.5 | -145 | -89.6 | 0 | 0 | 0 | 112.9 | F740 L785 | F740-Y743 PolarHBondContact O-N 2.85Å; Y743-L785 HydrophobicContact CD1-CD2 4.49Å; Y743-L785 HydrophobicContact CE1-CD1 4.31Å; Y743-L785 HydrophobicContact CE1-CD2 3.87Å |
| 744 | I | 47.4 | Very low | 41.1 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 67% | 0.667 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -95.3 | -20.8 | -169.9 | -63.5 | 173.4 | 0 | 0 | 0 | 113.9 | R742 K746 | R742-I744 VanDerWaalsContact C-N 3.3Å; R742-I744 PolarHBondContact O-N 2.91Å; I744-K746 PolarHBondContact O-N 3.41Å |
| 745 | S | 39.4 | Very low | 40.8 | Very low | 89 Ų | 89 | 122.9 Ų | 122.9 | 62% | 0.622 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -81.2 | 93.3 | 178 | 68 | 0 | 0 | 0 | 0 | 112.3 | K747 | S745-K747 PolarHBondContact O-N 3.45Š|
| 746 | K | 40.8 | Very low | 40.7 | Very low | 203 Ų | 203 | 120.3 Ų | 120.3 | 88% | 0.883 | 64% | 0.635 | S | S | * | * | trans | -57 | 105.1 | 176 | -70.6 | 175.3 | 174.3 | 176.6 | 0 | 112.8 | I744 | I744-K746 PolarHBondContact O-N 3.41Š| ||
| 747 | K | 48.3 | Very low | 40.6 | Very low | 205 Ų | 205 | 122.1 Ų | 122.1 | 89% | 0.891 | 64% | 0.642 | S | S | * | * | S | Bend | 153.9 | -12.6 | 124.9 | -94.7 | -175.1 | 167.2 | -179.8 | 0 | 115.8 | S745 | S745-K747 PolarHBondContact O-N 3.45Š| |
| 748 | Q | 42.3 | Very low | 40.3 | Very low | 185 Ų | 185 | 121.7 Ų | 121.7 | 86% | 0.864 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -130.9 | 8.5 | -173.1 | -86.2 | 177.4 | -24.8 | 0 | 0 | 117.5 | ||
| 749 | A | 31.8 | Very low | 40.7 | Very low | 41 Ų | 41 | 120.2 Ų | 120.2 | 34% | 0.339 | 63% | 0.632 | S | S | . | * | trans | -95.7 | 7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q751 D752 C753 | A749-Q751 PolarHBondContact O-N 3.16Å; A749-D752 PolarHBondContact O-N 2.88Å; A749-C753 PolarHBondContact O-N 2.66Å; A749-C753 PolarHBondContact O-SG 2.99Å; A749-C753 VanDerWaalsContact O-SG 3.36Å | ||
| 750 | L | 38.9 | Very low | 40.9 | Very low | 164 Ų | 164 | 126 Ų | 126 | 86% | 0.859 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -21.4 | 179.4 | -142.4 | 138.9 | 0 | 0 | 0 | 112.3 | ||
| 751 | Q | 42 | Very low | 40.6 | Very low | 176 Ų | 176 | 126.4 Ų | 126.4 | 82% | 0.822 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -27.1 | 173.9 | -76.4 | -179.6 | -24.7 | 0 | 0 | 113.6 | A749 | A749-Q751 PolarHBondContact O-N 3.16Š|
| 752 | D | 35.7 | Very low | 40.8 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 68% | 0.684 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -20 | 178.8 | -70.2 | -16.2 | 0 | 0 | 0 | 113.5 | A749 A754 G755 | A749-D752 PolarHBondContact O-N 2.88Å; D752-A754 PolarHBondContact O-N 2.89Å; D752-G755 PolarHBondContact O-N 3.38Å |
| 753 | C | 38.4 | Very low | 41 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 49% | 0.493 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -59.9 | -26.2 | 173.7 | -77.1 | 0 | 0 | 0 | 0 | 113 | A749 G755 I756 | A749-C753 PolarHBondContact O-N 2.66Å; A749-C753 PolarHBondContact O-SG 2.99Å; A749-C753 VanDerWaalsContact O-SG 3.36Å; C753-G755 PolarHBondContact O-N 3.45Å; C753-I756 PolarHBondContact O-N 2.86Å |
| 754 | A | 37.8 | Very low | 40.9 | Very low | 77 Ų | 77 | 119 Ų | 119 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64.9 | -20.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D752 | D752-A754 PolarHBondContact O-N 2.89Å |
| 755 | G | 32.7 | Very low | 40.9 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -86.4 | -19.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D752 C753 | D752-G755 PolarHBondContact O-N 3.38Å; C753-G755 PolarHBondContact O-N 3.45Å |
| 756 | I | 37 | Very low | 41.3 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 58% | 0.579 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.6 | -40 | 175.8 | -62.6 | 175.4 | 0 | 0 | 0 | 110 | C753 | C753-I756 PolarHBondContact O-N 2.86Å |
| 757 | F | 42 | Very low | 41.6 | Very low | 133 Ų | 133 | 124 Ų | 124 | 58% | 0.583 | 66% | 0.662 | S | S | * | * | trans | -106.3 | 82 | -179.7 | -63.3 | -78.5 | 0 | 0 | 0 | 108.7 | L759 | F757-L759 HydrophobicContact CB-CG 4.32Å; F757-L759 PolarHBondContact O-N 3Å | ||
| 758 | D | 37.8 | Very low | 41.1 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 50% | 0.497 | 64% | 0.641 | S | S | . | * | trans | -65.5 | 80.8 | 158.7 | -166.5 | 4.8 | 0 | 0 | 0 | 107.7 | Q760 S761 | D758-Q760 PolarHBondContact O-N 3.42Å; D758-S761 PolarHBondContact O-N 3.07Å; D758-S761 PolarHBondContact O-OG 3.49Å | ||
| 759 | L | 45.8 | Very low | 41.3 | Very low | 102 Ų | 102 | 112.8 Ų | 112.8 | 53% | 0.534 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.8 | -17.9 | -179.7 | -76.9 | 171.7 | 0 | 0 | 0 | 111.3 | F757 W802 | F757-L759 HydrophobicContact CB-CG 4.32Å; F757-L759 PolarHBondContact O-N 3Å; L759-W802 HydrophobicContact CD2-CZ2 3.83Å |
| 760 | Q | 47.6 | Very low | 42.3 | Very low | 182 Ų | 182 | 115.9 Ų | 115.9 | 85% | 0.85 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -19.7 | 176.3 | -58.3 | -172.6 | -10.6 | 0 | 0 | 113.6 | D758 | D758-Q760 PolarHBondContact O-N 3.42Š|
| 761 | S | 40.5 | Very low | 42.7 | Very low | 83 Ų | 83 | 113.1 Ų | 113.1 | 58% | 0.58 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -84.1 | -13.1 | -178.4 | 68.1 | 0 | 0 | 0 | 0 | 114.6 | D758 | D758-S761 PolarHBondContact O-N 3.07Å; D758-S761 PolarHBondContact O-OG 3.49Å |
| 762 | C | 46.5 | Very low | 43 | Very low | 80 Ų | 80 | 110 Ų | 110 | 54% | 0.541 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -98.6 | 124.5 | -177.5 | -71.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 763 | P | 40.9 | Very low | 43.9 | Very low | 89 Ų | 89 | 107.7 Ų | 107.7 | 58% | 0.578 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 144.3 | 179.6 | 26 | -31.8 | 0 | 0 | 0 | 113.5 | ||
| 764 | A | 45.1 | Very low | 44.9 | Very low | 87 Ų | 87 | 105.9 Ų | 105.9 | 72% | 0.719 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -62.8 | 150.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 765 | R | 47.4 | Very low | 45.5 | Very low | 252 Ų | 252 | 106.5 Ų | 106.5 | 95% | 0.951 | 56% | 0.557 | S | S | * | * | trans | 71.5 | 35.7 | 169.3 | -55.5 | -177.7 | 175.6 | -176.8 | -2 | 118.7 | ||||
| 766 | R | 48.2 | Very low | 46.3 | Very low | 150 Ų | 150 | 107.2 Ų | 107.2 | 57% | 0.566 | 55% | 0.545 | S | S | * | . | trans | -96 | 134.6 | 173.8 | -100.4 | -164.1 | -171.7 | -165.9 | 6 | 114 | D768 N769 F770 | R766-D768 VanDerWaalsContact C-N 3.25Å; R766-D768 WeakPolarHBondContact CB-OD1 3.35Å; R766-D768 WeakPolarHBondContact CD-OD1 3.17Å; R766-D768 VanDerWaalsContact CD-OD2 3.32Å; R766-D768 WeakPolarHBondContact CD-OD2 3.12Å; R766-D768 WeakPolarHBondContact CG-OD1 3.42Å; R766-D768 IonicContact NH1-OD2 3.4Å; R766-D768 PolarHBondContact NH1-OD2 3.42Å; R766-D768 PolarHBondContact O-N 3.13Å; R766-N769 PolarHBondContact O-N 2.98Å; R766-N769 VanDerWaalsContact O-N 3.09Å; R766-F770 PolarHBondContact O-N 2.97Å | ||
| 767 | L | 46.1 | Very low | 47.4 | Very low | 126 Ų | 126 | 105.8 Ų | 105.8 | 66% | 0.66 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.1 | -29.2 | -177.5 | -167.5 | 74.9 | 0 | 0 | 0 | 112.5 | F770 L771 | L767-F770 PolarHBondContact O-N 3.32Å; L767-L771 WeakPolarHBondContact O-CB 3.15Å; L767-L771 WeakPolarHBondContact O-CG 3.33Å; L767-L771 PolarHBondContact O-N 3.19Å |
| 768 | D | 39.3 | Very low | 48.1 | Very low | 84 Ų | 84 | 107.9 Ų | 107.9 | 45% | 0.449 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 170.9 | 33.4 | -35.7 | 0 | 0 | 0 | 112.5 | R766 F772 | R766-D768 VanDerWaalsContact C-N 3.25Å; R766-D768 WeakPolarHBondContact CB-OD1 3.35Å; R766-D768 WeakPolarHBondContact CD-OD1 3.17Å; R766-D768 VanDerWaalsContact CD-OD2 3.32Å; R766-D768 WeakPolarHBondContact CD-OD2 3.12Å; R766-D768 WeakPolarHBondContact CG-OD1 3.42Å; R766-D768 IonicContact NH1-OD2 3.4Å; R766-D768 PolarHBondContact NH1-OD2 3.42Å; R766-D768 PolarHBondContact O-N 3.13Å; D768-F772 WeakPolarHBondContact O-CB 3.18Å; D768-F772 PolarHBondContact O-N 3.5Å |
| 769 | N | 46 | Very low | 48.6 | Very low | 69 Ų | 69 | 108.7 Ų | 108.7 | 37% | 0.369 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.4 | -36.7 | 175.9 | -69 | -8.1 | 0 | 0 | 0 | 111.8 | R766 L773 | R766-N769 PolarHBondContact O-N 2.98Å; R766-N769 VanDerWaalsContact O-N 3.09Å; N769-L773 WeakPolarHBondContact O-CB 3.41Å; N769-L773 PolarHBondContact O-N 3.48Å |
| 770 | F | 52.9 | Low | 49.1 | Very low | 106 Ų | 106 | 105.2 Ų | 105.2 | 47% | 0.465 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -48.8 | 173.7 | -177.3 | -95 | 0 | 0 | 0 | 111.3 | R766 L767 F772 L773 V774 I812 | R766-F770 PolarHBondContact O-N 2.97Å; L767-F770 PolarHBondContact O-N 3.32Å; F770-F772 PolarHBondContact O-N 3.11Å; F770-L773 PolarHBondContact O-N 3.03Å; F770-V774 HydrophobicContact CD1-CG2 4.43Å; F770-V774 HydrophobicContact CE1-CG2 4.25Å; F770-V774 HydrophobicContact CZ-CG2 4.47Å; F770-V774 WeakPolarHBondContact O-CB 3.37Å; F770-V774 WeakPolarHBondContact O-CG2 3.33Å; F770-V774 PolarHBondContact O-N 3.35Å; F770-I812 HydrophobicContact CE2-CD1 3.81Å |
| 771 | L | 47.2 | Very low | 49.4 | Very low | 107 Ų | 107 | 105.2 Ų | 105.2 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.8 | -29 | 175.4 | -73.7 | 174.7 | 0 | 0 | 0 | 112.4 | L767 H775 | L767-L771 WeakPolarHBondContact O-CB 3.15Å; L767-L771 WeakPolarHBondContact O-CG 3.33Å; L767-L771 PolarHBondContact O-N 3.19Å; L771-H775 VanDerWaalsContact O-CB 3.31Å; L771-H775 WeakPolarHBondContact O-CB 3.48Å; L771-H775 PolarHBondContact O-N 3.42Å |
| 772 | F | 47.6 | Very low | 50.1 | Low | 110 Ų | 110 | 105 Ų | 105 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -79.1 | -42.1 | 176 | -172.9 | -106.3 | 0 | 0 | 0 | 112.9 | D768 F770 V774 H775 L776 | D768-F772 WeakPolarHBondContact O-CB 3.18Å; D768-F772 PolarHBondContact O-N 3.5Å; F770-F772 PolarHBondContact O-N 3.11Å; F772-V774 PolarHBondContact O-N 2.7Å; F772-H775 CarbonylContact O-C 3.5Å; F772-H775 PolarHBondContact O-N 3.33Å; F772-H775 VanDerWaalsContact O-N 3.12Å; F772-L776 HydrophobicContact CD1-CD1 3.69Å; F772-L776 HydrophobicContact CE1-CD1 3.23Å; F772-L776 HydrophobicContact CE1-CG 4.21Å; F772-L776 HydrophobicContact CE2-CD1 4.48Å; F772-L776 HydrophobicContact CG-CD1 4.49Å; F772-L776 HydrophobicContact CZ-CD1 3.68Å; F772-L776 HydrophobicContact CZ-CG 4.25Å; F772-L776 WeakPolarHBondContact O-CB 3.16Å; F772-L776 PolarHBondContact O-N 3.33Å |
| 773 | L | 55.9 | Low | 50.1 | Low | 80 Ų | 80 | 105.5 Ų | 105.5 | 42% | 0.419 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.1 | -37.2 | 168.4 | -82.5 | 169.2 | 0 | 0 | 0 | 110.4 | N769 F770 W777 W802 | N769-L773 WeakPolarHBondContact O-CB 3.41Å; N769-L773 PolarHBondContact O-N 3.48Å; F770-L773 PolarHBondContact O-N 3.03Å; L773-W777 WeakPolarHBondContact O-CB 3.24Å; L773-W777 PolarHBondContact O-N 3.21Å; L773-W802 HydrophobicContact CD1-CH2 4.12Å; L773-W802 HydrophobicContact CD1-CZ3 3.8Å |
| 774 | V | 59.2 | Low | 50.8 | Low | 35 Ų | 35 | 107.5 Ų | 107.5 | 21% | 0.212 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -71 | -39.3 | 173.3 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | F770 F772 R778 | F770-V774 HydrophobicContact CD1-CG2 4.43Å; F770-V774 HydrophobicContact CE1-CG2 4.25Å; F770-V774 HydrophobicContact CZ-CG2 4.47Å; F770-V774 WeakPolarHBondContact O-CB 3.37Å; F770-V774 WeakPolarHBondContact O-CG2 3.33Å; F770-V774 PolarHBondContact O-N 3.35Å; F772-V774 PolarHBondContact O-N 2.7Å; V774-R778 HydrophobicContact CG1-CG 4.48Å; V774-R778 WeakPolarHBondContact O-CB 3.17Å; V774-R778 WeakPolarHBondContact O-CG 3.42Å; V774-R778 PolarHBondContact O-N 2.93Å |
| 775 | H | 49.2 | Very low | 50.8 | Low | 89 Ų | 89 | 107.3 Ų | 107.3 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.2 | -36.4 | 174.9 | -173 | 73.8 | 0 | 0 | 0 | 111.9 | L771 F772 R778 K779 | L771-H775 VanDerWaalsContact O-CB 3.31Å; L771-H775 WeakPolarHBondContact O-CB 3.48Å; L771-H775 PolarHBondContact O-N 3.42Å; F772-H775 CarbonylContact O-C 3.5Å; F772-H775 PolarHBondContact O-N 3.33Å; F772-H775 VanDerWaalsContact O-N 3.12Å; H775-R778 CarbonylContact O-C 3.51Å; H775-R778 PolarHBondContact O-N 3.15Å; H775-K779 WeakPolarHBondContact NE2-CD 3.35Å; H775-K779 WeakPolarHBondContact O-CB 3.27Å; H775-K779 PolarHBondContact O-N 2.93Å |
| 776 | L | 50.1 | Low | 51 | Low | 82 Ų | 82 | 101.8 Ų | 101.8 | 43% | 0.429 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.1 | -47.8 | 172.3 | -94.6 | 161.4 | 0 | 0 | 0 | 110.5 | F772 R778 K779 A780 | F772-L776 HydrophobicContact CD1-CD1 3.69Å; F772-L776 HydrophobicContact CE1-CD1 3.23Å; F772-L776 HydrophobicContact CE1-CG 4.21Å; F772-L776 HydrophobicContact CE2-CD1 4.48Å; F772-L776 HydrophobicContact CG-CD1 4.49Å; F772-L776 HydrophobicContact CZ-CD1 3.68Å; F772-L776 HydrophobicContact CZ-CG 4.25Å; F772-L776 WeakPolarHBondContact O-CB 3.16Å; F772-L776 PolarHBondContact O-N 3.33Å; L776-R778 PolarHBondContact O-N 3.03Å; L776-K779 PolarHBondContact O-N 3.23Å; L776-A780 WeakPolarHBondContact O-CA 3.26Å; L776-A780 WeakPolarHBondContact O-CB 3.26Å; L776-A780 PolarHBondContact O-N 3.21Å |
| 777 | W | 60 | Low | 50.9 | Low | 82 Ų | 82 | 98 Ų | 98 | 31% | 0.311 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 172.9 | -155.3 | -72.6 | 0 | 0 | 0 | 110.2 | L773 R781 M791 I795 M814 | L773-W777 WeakPolarHBondContact O-CB 3.24Å; L773-W777 PolarHBondContact O-N 3.21Å; W777-R781 WeakPolarHBondContact O-CB 3.04Å; W777-R781 PolarHBondContact O-N 3.33Å; W777-M791 HydrophobicContact CD2-CE 3.61Å; W777-M791 HydrophobicContact CE3-CE 3.2Å; W777-M791 HydrophobicContact CE3-SD 4.24Å; W777-M791 HydrophobicContact CG-CE 4.48Å; W777-M791 HydrophobicContact CH2-CB 4.3Å; W777-M791 HydrophobicContact CH2-CE 3.5Å; W777-M791 HydrophobicContact CZ2-CE 3.88Å; W777-M791 HydrophobicContact CZ3-CB 4.43Å; W777-M791 HydrophobicContact CZ3-CE 3.14Å; W777-M791 HydrophobicContact CZ3-SD 3.92Å; W777-I795 HydrophobicContact CH2-CD1 3.89Å; W777-I795 HydrophobicContact CZ3-CD1 3.87Å; W777-M814 VanDerWaalsContact CD1-CE 3.44Å; W777-M814 HydrophobicContact CD2-CE 4.39Å; W777-M814 HydrophobicContact CG-CE 3.96Å |
| 778 | R | 57.4 | Low | 51.2 | Low | 178 Ų | 178 | 99 Ų | 99 | 67% | 0.672 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.7 | -43.1 | 174.9 | -79.3 | 177 | -178.3 | -175 | 2.3 | 113.8 | V774 H775 L776 R781 A782 | V774-R778 HydrophobicContact CG1-CG 4.48Å; V774-R778 WeakPolarHBondContact O-CB 3.17Å; V774-R778 WeakPolarHBondContact O-CG 3.42Å; V774-R778 PolarHBondContact O-N 2.93Å; H775-R778 CarbonylContact O-C 3.51Å; H775-R778 PolarHBondContact O-N 3.15Å; L776-R778 PolarHBondContact O-N 3.03Å; R778-R781 CarbonylContact O-C 3.54Å; R778-A782 WeakPolarHBondContact O-CB 3.32Å; R778-A782 PolarHBondContact O-N 2.99Å |
| 779 | K | 47.7 | Very low | 51.9 | Low | 109 Ų | 109 | 101.3 Ų | 101.3 | 47% | 0.474 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -77.9 | -32 | 179.1 | -102.5 | -165.8 | 178.3 | -179.8 | 0 | 112 | H775 L776 A782 K783 | H775-K779 WeakPolarHBondContact NE2-CD 3.35Å; H775-K779 WeakPolarHBondContact O-CB 3.27Å; H775-K779 PolarHBondContact O-N 2.93Å; L776-K779 PolarHBondContact O-N 3.23Å; K779-A782 CarbonylContact O-C 3.26Å; K779-A782 PolarHBondContact O-N 2.98Å; K779-A782 VanDerWaalsContact O-N 3.15Å; K779-K783 PolarHBondContact O-N 2.84Å |
| 780 | A | 55.9 | Low | 52.2 | Low | 30 Ų | 30 | 104.6 Ų | 104.6 | 25% | 0.248 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L776 A782 N784 L785 | L776-A780 WeakPolarHBondContact O-CA 3.26Å; L776-A780 WeakPolarHBondContact O-CB 3.26Å; L776-A780 PolarHBondContact O-N 3.21Å; A780-A782 VanDerWaalsContact C-N 3.32Å; A780-N784 WeakPolarHBondContact O-CA 3.37Å; A780-N784 PolarHBondContact O-N 3.33Å; A780-L785 PolarHBondContact O-N 3.43Å |
| 781 | R | 54 | Low | 52.2 | Low | 182 Ų | 182 | 102.2 Ų | 102.2 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.5 | -29.1 | 167.3 | -170.6 | 175.6 | -179.3 | 178.6 | 2.2 | 113 | W777 R778 N784 | W777-R781 WeakPolarHBondContact O-CB 3.04Å; W777-R781 PolarHBondContact O-N 3.33Å; R778-R781 CarbonylContact O-C 3.54Å; R781-N784 PolarHBondContact O-OD1 3.29Å; R781-N784 VanDerWaalsContact O-OD1 3.04Å |
| 782 | A | 55.1 | Low | 52.9 | Low | 77 Ų | 77 | 101.6 Ų | 101.6 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -85.1 | -32 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R778 K779 A780 | R778-A782 WeakPolarHBondContact O-CB 3.32Å; R778-A782 PolarHBondContact O-N 2.99Å; K779-A782 CarbonylContact O-C 3.26Å; K779-A782 PolarHBondContact O-N 2.98Å; K779-A782 VanDerWaalsContact O-N 3.15Å; A780-A782 VanDerWaalsContact C-N 3.32Å |
| 783 | K | 47.5 | Very low | 53.5 | Low | 92 Ų | 92 | 99.2 Ų | 99.2 | 40% | 0.4 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 7.8 | 173.1 | -67.2 | -141 | -171.9 | -177.7 | 0 | 112.7 | E736 F740 K779 | E736-K783 IonicContact OE1-NZ 3.87Å; E736-K783 PolarHBondContact OE1-NZ 3.44Å; F740-K783 HydrophobicContact CE1-CD 3.73Å; F740-K783 HydrophobicContact CE2-CD 4.2Å; F740-K783 HydrophobicContact CZ-CD 3.41Å; F740-K783 VanDerWaalsContact CZ-CD 3.41Å; F740-K783 VanDerWaalsContact CZ-CE 3.46Å; F740-K783 HydrophobicContact CZ-CG 4.47Å; F740-K783 VanDerWaalsContact CZ-NZ 3.27Å; K779-K783 PolarHBondContact O-N 2.84Å |
| 784 | N | 55.9 | Low | 53.3 | Low | 130 Ų | 130 | 100.3 Ų | 100.3 | 70% | 0.695 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 60.1 | 173.4 | -78.3 | -16.9 | 0 | 0 | 0 | 114.8 | A780 R781 | A780-N784 WeakPolarHBondContact O-CA 3.37Å; A780-N784 PolarHBondContact O-N 3.33Å; R781-N784 PolarHBondContact O-OD1 3.29Å; R781-N784 VanDerWaalsContact O-OD1 3.04Å |
| 785 | L | 44.3 | Very low | 53.4 | Low | 83 Ų | 83 | 99.9 Ų | 99.9 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | trans | -87.6 | 125.5 | 170.6 | -71.6 | 164.5 | 0 | 0 | 0 | 110.1 | Y743 A780 T787 | Y743-L785 HydrophobicContact CD1-CD2 4.49Å; Y743-L785 HydrophobicContact CE1-CD1 4.31Å; Y743-L785 HydrophobicContact CE1-CD2 3.87Å; A780-L785 PolarHBondContact O-N 3.43Å; L785-T787 PolarHBondContact O-N 3.28Å | ||
| 786 | T | 52.1 | Low | 54.1 | Low | 137 Ų | 137 | 101.5 Ų | 101.5 | 84% | 0.84 | 51% | 0.511 | S | S | * | . | trans | -98.6 | 46.6 | -161.4 | 54.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 787 | T | 46 | Very low | 54.4 | Low | 71 Ų | 71 | 103.3 Ų | 103.3 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | trans | -127.8 | 81 | 178.6 | 52 | 0 | 0 | 0 | 0 | 112.4 | L785 M791 | L785-T787 PolarHBondContact O-N 3.28Å; T787-M791 WeakPolarHBondContact O-CG 3.46Å | ||
| 788 | E | 53 | Low | 54.2 | Low | 145 Ų | 145 | 100.2 Ų | 100.2 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -83.3 | -34.9 | 178.2 | -70.6 | 178.4 | 174.8 | 0 | 0 | 113.8 | H790 M791 F792 | E788-H790 PolarHBondContact O-N 3.38Å; E788-M791 CarbonylContact O-C 3.55Å; E788-M791 WeakPolarHBondContact O-CA 3.19Å; E788-M791 WeakPolarHBondContact O-CB 3.36Å; E788-M791 PolarHBondContact O-N 3.09Å; E788-F792 PolarHBondContact O-N 3.33Å |
| 789 | D | 54 | Low | 54.4 | Low | 134 Ų | 134 | 93.7 Ų | 93.7 | 72% | 0.717 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.1 | -38.3 | 173.6 | -64 | -32.2 | 0 | 0 | 0 | 111.6 | M791 S793 | D789-M791 PolarHBondContact O-N 3.21Å; D789-S793 VanDerWaalsContact O-CB 3.31Å; D789-S793 WeakPolarHBondContact O-CB 3.38Å; D789-S793 PolarHBondContact O-N 3.11Å |
| 790 | H | 50.6 | Low | 55.1 | Low | 137 Ų | 137 | 93 Ų | 93 | 63% | 0.634 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.6 | -19.9 | 174.5 | -69.6 | 75.8 | 0 | 0 | 0 | 111.7 | E788 L794 | E788-H790 PolarHBondContact O-N 3.38Å; H790-L794 WeakPolarHBondContact O-CB 3.41Å; H790-L794 PolarHBondContact O-N 3.09Å |
| 791 | M | 54.4 | Low | 55 | Low | 57 Ų | 57 | 96.4 Ų | 96.4 | 28% | 0.281 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -83.7 | -43.6 | 173.3 | -68.8 | -108.2 | -83.4 | 0 | 0 | 111.9 | W777 T787 E788 D789 S793 L794 I795 | W777-M791 HydrophobicContact CD2-CE 3.61Å; W777-M791 HydrophobicContact CE3-CE 3.2Å; W777-M791 HydrophobicContact CE3-SD 4.24Å; W777-M791 HydrophobicContact CG-CE 4.48Å; W777-M791 HydrophobicContact CH2-CB 4.3Å; W777-M791 HydrophobicContact CH2-CE 3.5Å; W777-M791 HydrophobicContact CZ2-CE 3.88Å; W777-M791 HydrophobicContact CZ3-CB 4.43Å; W777-M791 HydrophobicContact CZ3-CE 3.14Å; W777-M791 HydrophobicContact CZ3-SD 3.92Å; T787-M791 WeakPolarHBondContact O-CG 3.46Å; E788-M791 CarbonylContact O-C 3.55Å; E788-M791 WeakPolarHBondContact O-CA 3.19Å; E788-M791 WeakPolarHBondContact O-CB 3.36Å; E788-M791 PolarHBondContact O-N 3.09Å; D789-M791 PolarHBondContact O-N 3.21Å; M791-S793 VanDerWaalsContact C-N 3.28Å; M791-S793 PolarHBondContact O-N 3.34Å; M791-L794 CarbonylContact O-C 3.59Å; M791-L794 PolarHBondContact O-N 3.34Å; M791-I795 WeakPolarHBondContact O-CB 3.41Å; M791-I795 WeakPolarHBondContact O-CD1 3.35Å; M791-I795 WeakPolarHBondContact O-CG1 3.33Å; M791-I795 PolarHBondContact O-N 2.9Å |
| 792 | F | 61.5 | Low | 55.1 | Low | 93 Ų | 93 | 92.9 Ų | 92.9 | 41% | 0.408 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 172.2 | -77.8 | -63.6 | 0 | 0 | 0 | 111.8 | E788 D796 D818 | E788-F792 PolarHBondContact O-N 3.33Å; F792-D796 WeakPolarHBondContact O-CB 3.5Å; F792-D796 PolarHBondContact O-N 2.81Å; F792-D818 HydrophobicContact CE1-CB 3.58Å; F792-D818 WeakPolarHBondContact CE1-OD2 3.31Å; F792-D818 HydrophobicContact CZ-CB 3.65Å; F792-D818 WeakPolarHBondContact CZ-OD2 3.43Å |
| 793 | S | 60.6 | Low | 55 | Low | 61 Ų | 61 | 96.5 Ų | 96.5 | 43% | 0.427 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73 | -43 | 171 | -178.9 | 0 | 0 | 0 | 0 | 112.8 | D789 M791 I795 D796 Q797 | D789-S793 VanDerWaalsContact O-CB 3.31Å; D789-S793 WeakPolarHBondContact O-CB 3.38Å; D789-S793 PolarHBondContact O-N 3.11Å; M791-S793 VanDerWaalsContact C-N 3.28Å; M791-S793 PolarHBondContact O-N 3.34Å; S793-I795 PolarHBondContact O-N 3.36Å; S793-D796 PolarHBondContact O-N 3.25Å; S793-Q797 VanDerWaalsContact O-CB 3.24Å; S793-Q797 WeakPolarHBondContact O-CB 3.29Å; S793-Q797 VanDerWaalsContact O-CG 3.32Å; S793-Q797 WeakPolarHBondContact O-CG 3.43Å; S793-Q797 PolarHBondContact O-N 2.82Å |
| 794 | L | 51.8 | Low | 55.4 | Low | 103 Ų | 103 | 95.2 Ų | 95.2 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -21.8 | 173.4 | -170.8 | 137.8 | 0 | 0 | 0 | 111.8 | H790 M791 A798 | H790-L794 WeakPolarHBondContact O-CB 3.41Å; H790-L794 PolarHBondContact O-N 3.09Å; M791-L794 CarbonylContact O-C 3.59Å; M791-L794 PolarHBondContact O-N 3.34Å; L794-A798 WeakPolarHBondContact O-CA 3.29Å; L794-A798 WeakPolarHBondContact O-CB 3.3Å; L794-A798 PolarHBondContact O-N 3.05Å |
| 795 | I | 61.2 | Low | 55.5 | Low | 26 Ų | 26 | 94.2 Ų | 94.2 | 13% | 0.133 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -81.8 | -52.2 | 172.3 | -74.5 | 164.2 | 0 | 0 | 0 | 111.4 | W777 M791 S793 Q797 A798 M799 F809 | W777-I795 HydrophobicContact CH2-CD1 3.89Å; W777-I795 HydrophobicContact CZ3-CD1 3.87Å; M791-I795 WeakPolarHBondContact O-CB 3.41Å; M791-I795 WeakPolarHBondContact O-CD1 3.35Å; M791-I795 WeakPolarHBondContact O-CG1 3.33Å; M791-I795 PolarHBondContact O-N 2.9Å; S793-I795 PolarHBondContact O-N 3.36Å; I795-Q797 PolarHBondContact O-N 3.49Å; I795-A798 CarbonylContact O-C 3.59Å; I795-A798 PolarHBondContact O-N 3.04Å; I795-A798 VanDerWaalsContact O-N 3.13Å; I795-M799 HydrophobicContact CG2-CG 4.04Å; I795-M799 HydrophobicContact CG2-SD 3.77Å; I795-M799 WeakPolarHBondContact O-CA 3.43Å; I795-M799 WeakPolarHBondContact O-CB 3.4Å; I795-M799 WeakPolarHBondContact O-CG 3.38Å; I795-M799 PolarHBondContact O-N 2.85Å; I795-F809 HydrophobicContact CD1-CZ 4.06Å; I795-F809 HydrophobicContact CG1-CZ 4.16Å; I795-F809 HydrophobicContact CG2-CD1 4.21Å; I795-F809 HydrophobicContact CG2-CE1 3.27Å; I795-F809 HydrophobicContact CG2-CZ 3.51Å |
| 796 | D | 62.4 | Low | 56 | Low | 122 Ų | 122 | 92.8 Ų | 92.8 | 65% | 0.652 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.3 | -32.8 | 174.1 | -163.9 | 43.4 | 0 | 0 | 0 | 110 | F792 S793 S800 | F792-D796 WeakPolarHBondContact O-CB 3.5Å; F792-D796 PolarHBondContact O-N 2.81Å; S793-D796 PolarHBondContact O-N 3.25Å; D796-S800 PolarHBondContact O-N 3.09Å; D796-S800 PolarHBondContact O-OG 3.33Å |
| 797 | Q | 57.3 | Low | 56.2 | Low | 121 Ų | 121 | 92.7 Ų | 92.7 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -73.3 | -48.9 | 168.6 | -75.2 | -175.6 | -14.5 | 0 | 0 | 114.4 | S793 I795 M799 S800 V801 | S793-Q797 VanDerWaalsContact O-CB 3.24Å; S793-Q797 WeakPolarHBondContact O-CB 3.29Å; S793-Q797 VanDerWaalsContact O-CG 3.32Å; S793-Q797 WeakPolarHBondContact O-CG 3.43Å; S793-Q797 PolarHBondContact O-N 2.82Å; I795-Q797 PolarHBondContact O-N 3.49Å; Q797-M799 VanDerWaalsContact C-N 3.27Å; Q797-M799 PolarHBondContact O-N 3.42Å; Q797-S800 WeakPolarHBondContact CA-OG 3.48Å; Q797-S800 PolarHBondContact O-N 3.41Å; Q797-S800 PolarHBondContact O-OG 3.3Å; Q797-V801 WeakPolarHBondContact O-CB 3.28Å; Q797-V801 VanDerWaalsContact O-CG2 3.24Å; Q797-V801 WeakPolarHBondContact O-CG2 3.12Å; Q797-V801 PolarHBondContact O-N 2.99Å |
| 798 | A | 54.7 | Low | 56.8 | Low | 17 Ų | 17 | 94.5 Ų | 94.5 | 14% | 0.14 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -66.2 | -28.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L794 I795 V801 W802 | L794-A798 WeakPolarHBondContact O-CA 3.29Å; L794-A798 WeakPolarHBondContact O-CB 3.3Å; L794-A798 PolarHBondContact O-N 3.05Å; I795-A798 CarbonylContact O-C 3.59Å; I795-A798 PolarHBondContact O-N 3.04Å; I795-A798 VanDerWaalsContact O-N 3.13Å; A798-V801 PolarHBondContact O-N 3.07Å; A798-W802 HydrophobicContact CB-CD2 4.22Å; A798-W802 HydrophobicContact CB-CE3 3.8Å; A798-W802 HydrophobicContact CB-CH2 4.4Å; A798-W802 HydrophobicContact CB-CZ3 3.88Å; A798-W802 VanDerWaalsContact O-CB 3.32Å; A798-W802 WeakPolarHBondContact O-CB 3.26Å; A798-W802 PolarHBondContact O-N 3.36Å |
| 799 | M | 62.6 | Low | 56.9 | Low | 41 Ų | 41 | 89.5 Ų | 89.5 | 20% | 0.202 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -70.3 | -40.4 | 173.7 | -75.6 | -178 | 74.6 | 0 | 0 | 111.2 | I795 Q797 A806 F809 | I795-M799 HydrophobicContact CG2-CG 4.04Å; I795-M799 HydrophobicContact CG2-SD 3.77Å; I795-M799 WeakPolarHBondContact O-CA 3.43Å; I795-M799 WeakPolarHBondContact O-CB 3.4Å; I795-M799 WeakPolarHBondContact O-CG 3.38Å; I795-M799 PolarHBondContact O-N 2.85Å; Q797-M799 VanDerWaalsContact C-N 3.27Å; Q797-M799 PolarHBondContact O-N 3.42Å; M799-A806 HydrophobicContact CE-CB 3.98Å; M799-F809 HydrophobicContact CE-CB 4.03Å; M799-F809 HydrophobicContact CE-CD1 3.9Å; M799-F809 HydrophobicContact CE-CG 4.28Å; M799-F809 HydrophobicContact CG-CD1 4.22Å; M799-F809 HydrophobicContact CG-CG 4.5Å; M799-F809 HydrophobicContact SD-CB 4.5Å; M799-F809 HydrophobicContact SD-CD1 3.38Å; M799-F809 WeakPolarHBondContact SD-CD1 3.39Å; M799-F809 HydrophobicContact SD-CE1 3.84Å; M799-F809 HydrophobicContact SD-CG 4.11Å |
| 800 | S | 62.6 | Low | 57.1 | Low | 93 Ų | 93 | 85.9 Ų | 85.9 | 65% | 0.65 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -72.8 | -25 | 171 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | D796 Q797 | D796-S800 PolarHBondContact O-N 3.09Å; D796-S800 PolarHBondContact O-OG 3.33Å; Q797-S800 WeakPolarHBondContact CA-OG 3.48Å; Q797-S800 PolarHBondContact O-N 3.41Å; Q797-S800 PolarHBondContact O-OG 3.3Å |
| 801 | V | 54.5 | Low | 57.6 | Low | 102 Ų | 102 | 84.3 Ų | 84.3 | 62% | 0.618 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -93.4 | -44.9 | -178.1 | 173.1 | 0 | 0 | 0 | 0 | 115 | Q797 A798 D803 | Q797-V801 WeakPolarHBondContact O-CB 3.28Å; Q797-V801 VanDerWaalsContact O-CG2 3.24Å; Q797-V801 WeakPolarHBondContact O-CG2 3.12Å; Q797-V801 PolarHBondContact O-N 2.99Å; A798-V801 PolarHBondContact O-N 3.07Å; V801-D803 VanDerWaalsContact C-N 3.25Å; V801-D803 PolarHBondContact O-N 3.41Å |
| 802 | W | 54.4 | Low | 57.9 | Low | 109 Ų | 109 | 84.5 Ų | 84.5 | 41% | 0.413 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 3.6 | -179.7 | -64.8 | -26.7 | 0 | 0 | 0 | 113.3 | L759 L773 A798 I804 | L759-W802 HydrophobicContact CD2-CZ2 3.83Å; L773-W802 HydrophobicContact CD1-CH2 4.12Å; L773-W802 HydrophobicContact CD1-CZ3 3.8Å; A798-W802 HydrophobicContact CB-CD2 4.22Å; A798-W802 HydrophobicContact CB-CE3 3.8Å; A798-W802 HydrophobicContact CB-CH2 4.4Å; A798-W802 HydrophobicContact CB-CZ3 3.88Å; A798-W802 VanDerWaalsContact O-CB 3.32Å; A798-W802 WeakPolarHBondContact O-CB 3.26Å; A798-W802 PolarHBondContact O-N 3.36Å; W802-I804 HydrophobicContact CB-CD1 3.79Å; W802-I804 HydrophobicContact CB-CG1 3.84Å; W802-I804 HydrophobicContact CE3-CD1 3.91Å; W802-I804 PolarHBondContact O-N 2.95Å |
| 803 | D | 54.6 | Low | 57.8 | Low | 152 Ų | 152 | 86.1 Ų | 86.1 | 81% | 0.813 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 53.8 | 177.3 | -162 | 28.9 | 0 | 0 | 0 | 111.9 | V801 | V801-D803 VanDerWaalsContact C-N 3.25Å; V801-D803 PolarHBondContact O-N 3.41Å |
| 804 | I | 55.3 | Low | 57.7 | Low | 65 Ų | 65 | 87.5 Ų | 87.5 | 33% | 0.333 | 46% | 0.461 | S | S | . | . | trans | -95.9 | 133 | -177.9 | -58.7 | 174.2 | 0 | 0 | 0 | 108.3 | W802 A806 F809 | W802-I804 HydrophobicContact CB-CD1 3.79Å; W802-I804 HydrophobicContact CB-CG1 3.84Å; W802-I804 HydrophobicContact CE3-CD1 3.91Å; W802-I804 PolarHBondContact O-N 2.95Å; I804-A806 PolarHBondContact O-N 3.44Å; I804-F809 HydrophobicContact CG2-CB 4.32Å | ||
| 805 | D | 57.6 | Low | 58 | Low | 110 Ų | 110 | 83.5 Ų | 83.5 | 59% | 0.588 | 44% | 0.441 | S | S | * | . | trans | -55.2 | 123.2 | 178.4 | -138.4 | -26.4 | 0 | 0 | 0 | 112.1 | E807 L808 F809 | D805-E807 PolarHBondContact O-N 3.01Å; D805-L808 HydrophobicContact CB-CB 3.77Å; D805-L808 PolarHBondContact O-N 2.76Å; D805-F809 PolarHBondContact O-N 3.44Å | ||
| 806 | A | 54.3 | Low | 57.7 | Low | 53 Ų | 53 | 88 Ų | 88 | 44% | 0.438 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.7 | -30.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M799 I804 L810 | M799-A806 HydrophobicContact CE-CB 3.98Å; I804-A806 PolarHBondContact O-N 3.44Å; A806-L810 WeakPolarHBondContact O-CB 3.34Å; A806-L810 WeakPolarHBondContact O-CD1 3.36Å; A806-L810 WeakPolarHBondContact O-CG 3.4Å; A806-L810 PolarHBondContact O-N 3.43Å |
| 807 | E | 57 | Low | 57.6 | Low | 134 Ų | 134 | 87.6 Ų | 87.6 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.7 | -47.7 | 171.1 | -120.9 | -179.3 | 148.7 | 0 | 0 | 111.6 | D805 F809 L810 Q811 | D805-E807 PolarHBondContact O-N 3.01Å; E807-F809 VanDerWaalsContact C-N 3.33Å; E807-F809 PolarHBondContact O-N 3.42Å; E807-L810 CarbonylContact O-C 3.59Å; E807-L810 PolarHBondContact O-N 3.2Å; E807-Q811 WeakPolarHBondContact O-CB 3.49Å; E807-Q811 WeakPolarHBondContact O-CG 3.34Å; E807-Q811 PolarHBondContact O-N 2.9Å |
| 808 | L | 57.7 | Low | 57.5 | Low | 110 Ų | 110 | 84.4 Ų | 84.4 | 58% | 0.576 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.2 | -34.2 | -178.2 | -159.5 | 89.8 | 0 | 0 | 0 | 112.3 | D805 Q811 I812 | D805-L808 HydrophobicContact CB-CB 3.77Å; D805-L808 PolarHBondContact O-N 2.76Å; L808-Q811 PolarHBondContact O-N 3.15Å; L808-I812 PolarHBondContact O-N 2.94Å |
| 809 | F | 56.7 | Low | 57.6 | Low | 39 Ų | 39 | 88.3 Ų | 88.3 | 17% | 0.171 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -78.9 | -43.6 | 175.7 | -169 | -101.4 | 0 | 0 | 0 | 112.4 | I795 M799 I804 D805 E807 Q811 I812 V815 | I795-F809 HydrophobicContact CD1-CZ 4.06Å; I795-F809 HydrophobicContact CG1-CZ 4.16Å; I795-F809 HydrophobicContact CG2-CD1 4.21Å; I795-F809 HydrophobicContact CG2-CE1 3.27Å; I795-F809 HydrophobicContact CG2-CZ 3.51Å; M799-F809 HydrophobicContact CE-CB 4.03Å; M799-F809 HydrophobicContact CE-CD1 3.9Å; M799-F809 HydrophobicContact CE-CG 4.28Å; M799-F809 HydrophobicContact CG-CD1 4.22Å; M799-F809 HydrophobicContact CG-CG 4.5Å; M799-F809 HydrophobicContact SD-CB 4.5Å; M799-F809 HydrophobicContact SD-CD1 3.38Å; M799-F809 WeakPolarHBondContact SD-CD1 3.39Å; M799-F809 HydrophobicContact SD-CE1 3.84Å; M799-F809 HydrophobicContact SD-CG 4.11Å; I804-F809 HydrophobicContact CG2-CB 4.32Å; D805-F809 PolarHBondContact O-N 3.44Å; E807-F809 VanDerWaalsContact C-N 3.33Å; E807-F809 PolarHBondContact O-N 3.42Å; F809-Q811 PolarHBondContact O-N 2.97Å; F809-I812 HydrophobicContact CD2-CD1 4.04Å; F809-I812 HydrophobicContact CE2-CD1 4.43Å; F809-I812 PolarHBondContact O-N 3.01Å; F809-V815 HydrophobicContact CD1-CB 4.32Å; F809-V815 HydrophobicContact CD1-CG1 3.41Å; F809-V815 VanDerWaalsContact CD1-CG1 3.41Å; F809-V815 HydrophobicContact CD1-CG2 4.13Å; F809-V815 HydrophobicContact CD2-CG2 4.3Å; F809-V815 HydrophobicContact CE1-CB 4.07Å; F809-V815 HydrophobicContact CE1-CG1 3.24Å; F809-V815 HydrophobicContact CE1-CG2 3.6Å; F809-V815 HydrophobicContact CE2-CG2 3.83Å; F809-V815 HydrophobicContact CG-CG1 4.25Å; F809-V815 HydrophobicContact CG-CG2 4.44Å; F809-V815 HydrophobicContact CZ-CB 4.4Å; F809-V815 HydrophobicContact CZ-CG1 4.02Å; F809-V815 HydrophobicContact CZ-CG2 3.44Å; F809-V815 VanDerWaalsContact CZ-CG2 3.44Å; F809-V815 VanDerWaalsContact O-CB 3.26Å; F809-V815 WeakPolarHBondContact O-CB 3.26Å; F809-V815 WeakPolarHBondContact O-CG1 3.33Å |
| 810 | L | 57.6 | Low | 57 | Low | 59 Ų | 59 | 92.1 Ų | 92.1 | 31% | 0.309 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -0.3 | 168 | -68.8 | 171.2 | 0 | 0 | 0 | 112.6 | A806 E807 V815 K816 L819 | A806-L810 WeakPolarHBondContact O-CB 3.34Å; A806-L810 WeakPolarHBondContact O-CD1 3.36Å; A806-L810 WeakPolarHBondContact O-CG 3.4Å; A806-L810 PolarHBondContact O-N 3.43Å; E807-L810 CarbonylContact O-C 3.59Å; E807-L810 PolarHBondContact O-N 3.2Å; L810-V815 HydrophobicContact CD2-CG1 4.48Å; L810-K816 WeakPolarHBondContact O-CB 3.29Å; L810-K816 WeakPolarHBondContact O-CD 3.3Å; L810-K816 WeakPolarHBondContact O-CG 3.41Å; L810-L819 HydrophobicContact CD1-CD2 4.34Å; L810-L819 HydrophobicContact CD2-CB 3.77Å; L810-L819 HydrophobicContact CD2-CD1 4.15Å; L810-L819 HydrophobicContact CD2-CD2 4.15Å; L810-L819 HydrophobicContact CD2-CG 4.22Å |
| 811 | Q | 60.2 | Low | 56.5 | Low | 104 Ų | 104 | 88.9 Ų | 88.9 | 49% | 0.486 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -12.5 | 173.8 | -76.4 | 166.5 | 20.2 | 0 | 0 | 113.7 | E807 L808 F809 | E807-Q811 WeakPolarHBondContact O-CB 3.49Å; E807-Q811 WeakPolarHBondContact O-CG 3.34Å; E807-Q811 PolarHBondContact O-N 2.9Å; L808-Q811 PolarHBondContact O-N 3.15Å; F809-Q811 PolarHBondContact O-N 2.97Å |
| 812 | I | 60.6 | Low | 56.6 | Low | 60 Ų | 60 | 86.9 Ų | 86.9 | 31% | 0.308 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -71 | 127.7 | 164.9 | -62.8 | 168.3 | 0 | 0 | 0 | 107.6 | F770 L808 F809 M814 V815 K816 | F770-I812 HydrophobicContact CE2-CD1 3.81Å; L808-I812 PolarHBondContact O-N 2.94Å; F809-I812 HydrophobicContact CD2-CD1 4.04Å; F809-I812 HydrophobicContact CE2-CD1 4.43Å; F809-I812 PolarHBondContact O-N 3.01Å; I812-M814 VanDerWaalsContact C-N 3.25Å; I812-M814 HydrophobicContact CG2-CB 4.26Å; I812-M814 PolarHBondContact O-N 2.91Å; I812-V815 HydrophobicContact CB-CG2 4.18Å; I812-V815 HydrophobicContact CG2-CG2 4.44Å; I812-V815 WeakPolarHBondContact O-CA 3.44Å; I812-V815 WeakPolarHBondContact O-CB 3.44Å; I812-V815 PolarHBondContact O-N 2.85Å; I812-K816 PolarHBondContact O-N 3.39Å; I812-K816 VanDerWaalsContact O-N 3.16Å |
| 813 | D | 59.2 | Low | 56.4 | Low | 127 Ų | 127 | 88.8 Ų | 88.8 | 68% | 0.679 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -51.4 | -44.8 | -177.3 | -69.5 | -23.5 | 0 | 0 | 0 | 112.8 | V815 D817 | D813-V815 PolarHBondContact O-N 3.23Å; D813-D817 WeakPolarHBondContact O-CB 3.3Å |
| 814 | M | 60 | Low | 56.2 | Low | 91 Ų | 91 | 84.8 Ų | 84.8 | 45% | 0.448 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.4 | -5 | 178.2 | -67.3 | -176 | 55.4 | 0 | 0 | 114.1 | W777 I812 | W777-M814 VanDerWaalsContact CD1-CE 3.44Å; W777-M814 HydrophobicContact CD2-CE 4.39Å; W777-M814 HydrophobicContact CG-CE 3.96Å; I812-M814 VanDerWaalsContact C-N 3.25Å; I812-M814 HydrophobicContact CG2-CB 4.26Å; I812-M814 PolarHBondContact O-N 2.91Å |
| 815 | V | 56.4 | Low | 56.2 | Low | 19 Ų | 19 | 88.7 Ų | 88.7 | 12% | 0.115 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -125.3 | -40.9 | -174.9 | -179.6 | 0 | 0 | 0 | 0 | 114.4 | F809 L810 I812 D813 D817 D818 | F809-V815 HydrophobicContact CD1-CB 4.32Å; F809-V815 HydrophobicContact CD1-CG1 3.41Å; F809-V815 VanDerWaalsContact CD1-CG1 3.41Å; F809-V815 HydrophobicContact CD1-CG2 4.13Å; F809-V815 HydrophobicContact CD2-CG2 4.3Å; F809-V815 HydrophobicContact CE1-CB 4.07Å; F809-V815 HydrophobicContact CE1-CG1 3.24Å; F809-V815 HydrophobicContact CE1-CG2 3.6Å; F809-V815 HydrophobicContact CE2-CG2 3.83Å; F809-V815 HydrophobicContact CG-CG1 4.25Å; F809-V815 HydrophobicContact CG-CG2 4.44Å; F809-V815 HydrophobicContact CZ-CB 4.4Å; F809-V815 HydrophobicContact CZ-CG1 4.02Å; F809-V815 HydrophobicContact CZ-CG2 3.44Å; F809-V815 VanDerWaalsContact CZ-CG2 3.44Å; F809-V815 VanDerWaalsContact O-CB 3.26Å; F809-V815 WeakPolarHBondContact O-CB 3.26Å; F809-V815 WeakPolarHBondContact O-CG1 3.33Å; L810-V815 HydrophobicContact CD2-CG1 4.48Å; I812-V815 HydrophobicContact CB-CG2 4.18Å; I812-V815 HydrophobicContact CG2-CG2 4.44Å; I812-V815 WeakPolarHBondContact O-CA 3.44Å; I812-V815 WeakPolarHBondContact O-CB 3.44Å; I812-V815 PolarHBondContact O-N 2.85Å; D813-V815 PolarHBondContact O-N 3.23Å; V815-D817 PolarHBondContact O-N 3.03Å; V815-D818 WeakPolarHBondContact O-CA 3.38Å; V815-D818 VanDerWaalsContact O-CB 3.27Å; V815-D818 WeakPolarHBondContact O-CB 3.21Å; V815-D818 PolarHBondContact O-N 3.13Å |
| 816 | K | 56.6 | Low | 55.8 | Low | 119 Ų | 119 | 85.6 Ų | 85.6 | 52% | 0.517 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.2 | -34.7 | 176.4 | -164 | 171.9 | 177.9 | 176.4 | 0 | 111.9 | L810 I812 D818 L819 | L810-K816 WeakPolarHBondContact O-CB 3.29Å; L810-K816 WeakPolarHBondContact O-CD 3.3Å; L810-K816 WeakPolarHBondContact O-CG 3.41Å; I812-K816 PolarHBondContact O-N 3.39Å; I812-K816 VanDerWaalsContact O-N 3.16Å; K816-D818 PolarHBondContact O-N 2.91Å; K816-L819 PolarHBondContact O-N 2.97Å |
| 817 | D | 58.9 | Low | 55.4 | Low | 115 Ų | 115 | 91.1 Ų | 91.1 | 62% | 0.615 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -57.8 | -26.8 | 171.8 | -70.9 | -9.6 | 0 | 0 | 0 | 111 | D813 V815 S821 | D813-D817 WeakPolarHBondContact O-CB 3.3Å; V815-D817 PolarHBondContact O-N 3.03Å; D817-S821 VanDerWaalsContact O-CB 3.31Å; D817-S821 WeakPolarHBondContact O-CB 3.37Å |
| 818 | D | 56.7 | Low | 55.1 | Low | 54 Ų | 54 | 92.1 Ų | 92.1 | 29% | 0.289 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -85.6 | -16.8 | -178.8 | -62.6 | -25.3 | 0 | 0 | 0 | 115.3 | F792 V815 K816 S821 | F792-D818 HydrophobicContact CE1-CB 3.58Å; F792-D818 WeakPolarHBondContact CE1-OD2 3.31Å; F792-D818 HydrophobicContact CZ-CB 3.65Å; F792-D818 WeakPolarHBondContact CZ-OD2 3.43Å; V815-D818 WeakPolarHBondContact O-CA 3.38Å; V815-D818 VanDerWaalsContact O-CB 3.27Å; V815-D818 WeakPolarHBondContact O-CB 3.21Å; V815-D818 PolarHBondContact O-N 3.13Å; K816-D818 PolarHBondContact O-N 2.91Å; D818-S821 WeakPolarHBondContact O-CB 3.18Å |
| 819 | L | 55.5 | Low | 55 | Low | 98 Ų | 98 | 88.9 Ų | 88.9 | 51% | 0.513 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -108.5 | -38.9 | -175.1 | -171.8 | 111.5 | 0 | 0 | 0 | 116.9 | L810 K816 S821 S822 | L810-L819 HydrophobicContact CD1-CD2 4.34Å; L810-L819 HydrophobicContact CD2-CB 3.77Å; L810-L819 HydrophobicContact CD2-CD1 4.15Å; L810-L819 HydrophobicContact CD2-CD2 4.15Å; L810-L819 HydrophobicContact CD2-CG 4.22Å; K816-L819 PolarHBondContact O-N 2.97Å; L819-S821 PolarHBondContact O-N 3.28Å; L819-S822 WeakPolarHBondContact O-CA 3.3Å; L819-S822 WeakPolarHBondContact O-CB 3.42Å; L819-S822 PolarHBondContact O-N 2.68Å |
| 820 | L | 50.6 | Low | 54.8 | Low | 122 Ų | 122 | 88.2 Ų | 88.2 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -54.4 | -34.1 | 165.3 | -145.2 | 101.1 | 0 | 0 | 0 | 108.6 | S822 L824 | L820-S822 PolarHBondContact O-N 3.08Å; L820-L824 HydrophobicContact CD2-CD1 3.74Å; L820-L824 HydrophobicContact CG-CD1 4.16Å; L820-L824 WeakPolarHBondContact O-CB 3.41Å; L820-L824 VanDerWaalsContact O-CD1 3.29Å; L820-L824 WeakPolarHBondContact O-CD1 3.37Å; L820-L824 WeakPolarHBondContact O-CG 3.2Å; L820-L824 PolarHBondContact O-N 3.36Å |
| 821 | S | 52.3 | Low | 54.6 | Low | 25 Ų | 25 | 92.9 Ų | 92.9 | 18% | 0.175 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -55.5 | -20.6 | 167.3 | -178.7 | 0 | 0 | 0 | 0 | 114.7 | D817 D818 L819 R825 | D817-S821 VanDerWaalsContact O-CB 3.31Å; D817-S821 WeakPolarHBondContact O-CB 3.37Å; D818-S821 WeakPolarHBondContact O-CB 3.18Å; L819-S821 PolarHBondContact O-N 3.28Å; S821-R825 WeakPolarHBondContact O-CB 3.21Å; S821-R825 WeakPolarHBondContact O-CD 3.35Å; S821-R825 WeakPolarHBondContact O-CG 3.23Å; S821-R825 PolarHBondContact O-N 2.95Å; S821-R825 PolarHBondContact O-NE 3.3Å; S821-R825 PolarHBondContact OG-NE 2.85Å; S821-R825 PolarHBondContact OG-NH2 3.37Å |
| 822 | S | 55.6 | Low | 54.2 | Low | 60 Ų | 60 | 93.7 Ų | 93.7 | 42% | 0.42 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -90.1 | -39.5 | -176.7 | -69.6 | 0 | 0 | 0 | 0 | 115.4 | L819 L820 R825 L826 | L819-S822 WeakPolarHBondContact O-CA 3.3Å; L819-S822 WeakPolarHBondContact O-CB 3.42Å; L819-S822 PolarHBondContact O-N 2.68Å; L820-S822 PolarHBondContact O-N 3.08Å; S822-R825 CarbonylContact O-C 3.6Å; S822-R825 WeakPolarHBondContact O-CA 3.39Å; S822-R825 WeakPolarHBondContact O-CB 3.48Å; S822-R825 PolarHBondContact O-N 3.35Å; S822-L826 PolarHBondContact O-N 3.13Å |
| 823 | L | 50.4 | Low | 54.2 | Low | 148 Ų | 148 | 92.7 Ų | 92.7 | 78% | 0.775 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -79.8 | -36.5 | 175.2 | -81.7 | 168 | 0 | 0 | 0 | 112.2 | R825 L826 | L823-R825 PolarHBondContact O-N 2.81Å; L823-L826 PolarHBondContact O-N 3.08Å; L823-L826 VanDerWaalsContact O-N 3.17Å |
| 824 | L | 51.6 | Low | 54 | Low | 69 Ų | 69 | 90.7 Ų | 90.7 | 36% | 0.361 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.1 | 162.3 | -62.6 | 176.4 | 0 | 0 | 0 | 111.9 | L820 L826 P858 | L820-L824 HydrophobicContact CD2-CD1 3.74Å; L820-L824 HydrophobicContact CG-CD1 4.16Å; L820-L824 WeakPolarHBondContact O-CB 3.41Å; L820-L824 VanDerWaalsContact O-CD1 3.29Å; L820-L824 WeakPolarHBondContact O-CD1 3.37Å; L820-L824 WeakPolarHBondContact O-CG 3.2Å; L820-L824 PolarHBondContact O-N 3.36Å; L824-L826 WeakPolarHBondContact O-CD1 3.34Å; L824-P858 HydrophobicContact CB-CG 3.52Å; L824-P858 HydrophobicContact CD1-CG 4.39Å; L824-P858 HydrophobicContact CD2-CG 3.24Å; L824-P858 HydrophobicContact CG-CG 3.83Å |
| 825 | R | 53.6 | Low | 53.8 | Low | 147 Ų | 147 | 90.5 Ų | 90.5 | 56% | 0.555 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 0.6 | 173.6 | -87.6 | 173.2 | -161.9 | 174.7 | 3.2 | 115.2 | S821 S822 L823 H827 | S821-R825 WeakPolarHBondContact O-CB 3.21Å; S821-R825 WeakPolarHBondContact O-CD 3.35Å; S821-R825 WeakPolarHBondContact O-CG 3.23Å; S821-R825 PolarHBondContact O-N 2.95Å; S821-R825 PolarHBondContact O-NE 3.3Å; S821-R825 PolarHBondContact OG-NE 2.85Å; S821-R825 PolarHBondContact OG-NH2 3.37Å; S822-R825 CarbonylContact O-C 3.6Å; S822-R825 WeakPolarHBondContact O-CA 3.39Å; S822-R825 WeakPolarHBondContact O-CB 3.48Å; S822-R825 PolarHBondContact O-N 3.35Å; L823-R825 PolarHBondContact O-N 2.81Å; R825-H827 PolarHBondContact O-N 3.29Å |
| 826 | L | 49.5 | Very low | 54 | Low | 44 Ų | 44 | 91.4 Ų | 91.4 | 23% | 0.23 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.4 | 42.4 | 164.6 | -72 | 111 | 0 | 0 | 0 | 114.7 | S822 L823 L824 F828 V830 C860 Q861 | S822-L826 PolarHBondContact O-N 3.13Å; L823-L826 PolarHBondContact O-N 3.08Å; L823-L826 VanDerWaalsContact O-N 3.17Å; L824-L826 WeakPolarHBondContact O-CD1 3.34Å; L826-F828 PolarHBondContact O-N 3.22Å; L826-V830 HydrophobicContact CD2-CG2 3.5Å; L826-C860 HydrophobicContact CB-CB 3.21Å; L826-C860 HydrophobicContact CD1-CB 3.18Å; L826-C860 WeakPolarHBondContact CD1-SG 3.43Å; L826-C860 HydrophobicContact CD2-CB 3.82Å; L826-C860 HydrophobicContact CG-CB 3.48Å; L826-C860 VanDerWaalsContact CG-CB 3.48Å; L826-Q861 PolarHBondContact O-NE2 2.91Å |
| 827 | H | 47.2 | Very low | 54.2 | Low | 170 Ų | 170 | 91.1 Ų | 91.1 | 79% | 0.787 | 48% | 0.478 | S | S | * | . | trans | -73.2 | -5.7 | 165.5 | -76.9 | -66.2 | 0 | 0 | 0 | 111.6 | R825 | R825-H827 PolarHBondContact O-N 3.29Š| ||
| 828 | F | 49.5 | Very low | 54.3 | Low | 154 Ų | 154 | 90.2 Ų | 90.2 | 68% | 0.675 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -95.8 | 137.4 | 171.2 | -128.7 | -99.1 | 0 | 0 | 0 | 110.7 | L826 V830 Q861 | L826-F828 PolarHBondContact O-N 3.22Å; F828-V830 PolarHBondContact O-N 3.48Å; F828-Q861 PolarHBondContact O-NE2 3.13Å |
| 829 | S | 55.3 | Low | 54.9 | Low | 42 Ų | 42 | 92.8 Ų | 92.8 | 29% | 0.294 | 49% | 0.49 | S | S | . | . | trans | -76.2 | 119.4 | -170.4 | 78.2 | 0 | 0 | 0 | 0 | 113.5 | K831 Q832 C833 | S829-K831 PolarHBondContact O-N 3.39Å; S829-Q832 WeakPolarHBondContact O-CA 3.48Å; S829-Q832 WeakPolarHBondContact O-CB 3.37Å; S829-Q832 PolarHBondContact O-N 3.47Å; S829-Q832 WeakPolarHBondContact OG-CB 3.31Å; S829-Q832 WeakPolarHBondContact OG-CG 3.28Å; S829-Q832 PolarHBondContact OG-N 3.11Å; S829-Q832 PolarHBondContact OG-OE1 3.49Å; S829-C833 PolarHBondContact O-N 2.95Å | ||
| 830 | V | 54.1 | Low | 55 | Low | 25 Ų | 25 | 96.1 Ų | 96.1 | 15% | 0.152 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -60.8 | -20.7 | 179.9 | 173.5 | 0 | 0 | 0 | 0 | 112.3 | L826 F828 C833 L834 Q861 K863 | L826-V830 HydrophobicContact CD2-CG2 3.5Å; F828-V830 PolarHBondContact O-N 3.48Å; V830-C833 PolarHBondContact O-N 3.09Å; V830-L834 HydrophobicContact CG1-CD1 3.72Å; V830-L834 HydrophobicContact CG1-CG 4.02Å; V830-L834 WeakPolarHBondContact O-CB 3.44Å; V830-L834 PolarHBondContact O-N 3.26Å; V830-Q861 VanDerWaalsContact CB-OE1 3.29Å; V830-Q861 HydrophobicContact CG2-CB 4.25Å; V830-Q861 HydrophobicContact CG2-CG 4.3Å; V830-K863 HydrophobicContact CB-CD 3.78Å; V830-K863 HydrophobicContact CG1-CB 4.28Å; V830-K863 HydrophobicContact CG1-CD 3.5Å |
| 831 | K | 53 | Low | 55.6 | Low | 158 Ų | 158 | 99 Ų | 99 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.6 | -45.7 | 173.3 | -111.3 | 170.2 | -175.7 | -174.6 | 0 | 108.6 | S829 C833 S835 K863 | S829-K831 PolarHBondContact O-N 3.39Å; K831-C833 VanDerWaalsContact C-N 3.31Å; K831-C833 PolarHBondContact O-N 3.44Å; K831-S835 WeakPolarHBondContact O-CA 3.34Å; K831-S835 WeakPolarHBondContact O-CB 3.25Å; K831-S835 PolarHBondContact O-N 3.18Å; K831-S835 PolarHBondContact O-OG 3Å; K831-K863 VanDerWaalsContact CG-NZ 3.31Å |
| 832 | Q | 51.9 | Low | 56.3 | Low | 121 Ų | 121 | 102.4 Ų | 102.4 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.3 | -33.6 | 171 | -77 | 168.6 | -23.6 | 0 | 0 | 112.4 | S829 S835 S836 | S829-Q832 WeakPolarHBondContact O-CA 3.48Å; S829-Q832 WeakPolarHBondContact O-CB 3.37Å; S829-Q832 PolarHBondContact O-N 3.47Å; S829-Q832 WeakPolarHBondContact OG-CB 3.31Å; S829-Q832 WeakPolarHBondContact OG-CG 3.28Å; S829-Q832 PolarHBondContact OG-N 3.11Å; S829-Q832 PolarHBondContact OG-OE1 3.49Å; Q832-S835 VanDerWaalsContact C-OG 3.32Å; Q832-S835 WeakPolarHBondContact CA-OG 3.35Å; Q832-S835 PolarHBondContact O-OG 3.17Å; Q832-S836 WeakPolarHBondContact O-CB 3.36Å; Q832-S836 PolarHBondContact O-N 3.49Å |
| 833 | C | 59.2 | Low | 56.8 | Low | 39 Ų | 39 | 100.4 Ų | 100.4 | 26% | 0.264 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -75.1 | -53.7 | -179.8 | -141.7 | 0 | 0 | 0 | 0 | 113.2 | S829 V830 K831 S836 F839 | S829-C833 PolarHBondContact O-N 2.95Å; V830-C833 PolarHBondContact O-N 3.09Å; K831-C833 VanDerWaalsContact C-N 3.31Å; K831-C833 PolarHBondContact O-N 3.44Å; C833-S836 WeakPolarHBondContact O-CB 3.5Å; C833-S836 PolarHBondContact O-N 3.02Å; C833-S836 VanDerWaalsContact O-N 3.13Å; C833-F839 WeakPolarHBondContact O-CD2 3.29Å; C833-F839 VanDerWaalsContact SG-CD2 3.54Å; C833-F839 VanDerWaalsContact SG-CG 3.57Å |
| 834 | L | 57 | Low | 57.5 | Low | 85 Ų | 85 | 98.5 Ų | 98.5 | 45% | 0.445 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.8 | -19.5 | 174.4 | -69.3 | 173.6 | 0 | 0 | 0 | 113.3 | V830 S836 | V830-L834 HydrophobicContact CG1-CD1 3.72Å; V830-L834 HydrophobicContact CG1-CG 4.02Å; V830-L834 WeakPolarHBondContact O-CB 3.44Å; V830-L834 PolarHBondContact O-N 3.26Å; L834-S836 VanDerWaalsContact C-N 3.3Å |
| 835 | S | 54.5 | Low | 58.2 | Low | 87 Ų | 87 | 104.1 Ų | 104.1 | 61% | 0.608 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.4 | -23.9 | 166.1 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | K831 Q832 P837 | K831-S835 WeakPolarHBondContact O-CA 3.34Å; K831-S835 WeakPolarHBondContact O-CB 3.25Å; K831-S835 PolarHBondContact O-N 3.18Å; K831-S835 PolarHBondContact O-OG 3Å; Q832-S835 VanDerWaalsContact C-OG 3.32Å; Q832-S835 WeakPolarHBondContact CA-OG 3.35Å; Q832-S835 PolarHBondContact O-OG 3.17Å; S835-P837 WeakPolarHBondContact O-CD 3.35Å |
| 836 | S | 61.1 | Low | 58.7 | Low | 38 Ų | 38 | 98.7 Ų | 98.7 | 27% | 0.266 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -80.7 | 114.6 | 170.8 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | Q832 C833 L834 S838 F839 | Q832-S836 WeakPolarHBondContact O-CB 3.36Å; Q832-S836 PolarHBondContact O-N 3.49Å; C833-S836 WeakPolarHBondContact O-CB 3.5Å; C833-S836 PolarHBondContact O-N 3.02Å; C833-S836 VanDerWaalsContact O-N 3.13Å; L834-S836 VanDerWaalsContact C-N 3.3Å; S836-S838 PolarHBondContact O-N 3.17Å; S836-F839 PolarHBondContact O-N 3.43Å |
| 837 | P | 60.8 | Low | 59.6 | Low | 113 Ų | 113 | 98.1 Ų | 98.1 | 73% | 0.734 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -55 | -22.8 | -179.6 | 19.6 | -31 | 0 | 0 | 0 | 114.2 | S835 F839 | S835-P837 WeakPolarHBondContact O-CD 3.35Å; P837-F839 PolarHBondContact O-N 2.91Å; P837-F839 VanDerWaalsContact O-N 3.16Å |
| 838 | S | 61.8 | Low | 60.7 | Low | 95 Ų | 95 | 93.9 Ų | 93.9 | 66% | 0.664 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -62.1 | -14.8 | 178.5 | -58.6 | 0 | 0 | 0 | 0 | 114.9 | S836 | S836-S838 PolarHBondContact O-N 3.17Š|
| 839 | F | 67.6 | Low | 61.5 | Low | 109 Ų | 109 | 91.7 Ų | 91.7 | 48% | 0.478 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -108.7 | -13.6 | -178.7 | -62.7 | -87.1 | 0 | 0 | 0 | 116.3 | C833 S836 P837 V843 | C833-F839 WeakPolarHBondContact O-CD2 3.29Å; C833-F839 VanDerWaalsContact SG-CD2 3.54Å; C833-F839 VanDerWaalsContact SG-CG 3.57Å; S836-F839 PolarHBondContact O-N 3.43Å; P837-F839 PolarHBondContact O-N 2.91Å; P837-F839 VanDerWaalsContact O-N 3.16Å; F839-V843 WeakPolarHBondContact O-CG2 3.4Å |
| 840 | R | 59.1 | Low | 61.9 | Low | 167 Ų | 167 | 91 Ų | 91 | 63% | 0.63 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -46.6 | -174.5 | -172.7 | -179.1 | -177.7 | 177.1 | 3.4 | 119.3 | L842 V843 | R840-L842 PolarHBondContact O-N 3.47Å; R840-V843 WeakPolarHBondContact O-CA 3.46Å; R840-V843 WeakPolarHBondContact O-CB 3.45Å; R840-V843 VanDerWaalsContact O-CG2 3.23Å; R840-V843 WeakPolarHBondContact O-CG2 3.48Å; R840-V843 PolarHBondContact O-N 3.36Å |
| 841 | Q | 63.2 | Low | 62.6 | Low | 183 Ų | 183 | 90.2 Ų | 90.2 | 86% | 0.855 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.8 | 178.8 | -114.1 | -177.2 | 9.3 | 0 | 0 | 112.5 | V843 | Q841-V843 PolarHBondContact O-N 2.88Å; Q841-V843 VanDerWaalsContact O-N 3.08Å |
| 842 | L | 66.3 | Low | 63.3 | Low | 97 Ų | 97 | 84.3 Ų | 84.3 | 51% | 0.508 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -38.7 | -45.1 | 162.6 | -140.8 | 84.9 | 0 | 0 | 0 | 106.9 | R840 Y850 | R840-L842 PolarHBondContact O-N 3.47Å; L842-Y850 WeakPolarHBondContact CA-OH 3.41Å; L842-Y850 WeakPolarHBondContact CB-OH 3.39Å; L842-Y850 WeakPolarHBondContact CD2-OH 3.46Å; L842-Y850 WeakPolarHBondContact CG-OH 3.36Å; L842-Y850 WeakPolarHBondContact O-CE2 3.49Å; L842-Y850 VanDerWaalsContact O-CZ 3.3Å; L842-Y850 PolarHBondContact O-OH 3.4Å |
| 843 | V | 67.1 | Low | 63.7 | Low | 17 Ų | 17 | 81.3 Ų | 81.3 | 10% | 0.103 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -73.3 | -35.3 | -163.6 | -161.6 | 0 | 0 | 0 | 0 | 122 | F839 R840 Q841 Y850 F867 | F839-V843 WeakPolarHBondContact O-CG2 3.4Å; R840-V843 WeakPolarHBondContact O-CA 3.46Å; R840-V843 WeakPolarHBondContact O-CB 3.45Å; R840-V843 VanDerWaalsContact O-CG2 3.23Å; R840-V843 WeakPolarHBondContact O-CG2 3.48Å; R840-V843 PolarHBondContact O-N 3.36Å; Q841-V843 PolarHBondContact O-N 2.88Å; Q841-V843 VanDerWaalsContact O-N 3.08Å; V843-Y850 VanDerWaalsContact CA-CZ 3.43Å; V843-Y850 HydrophobicContact CB-CD1 4.07Å; V843-Y850 HydrophobicContact CB-CD2 4.3Å; V843-Y850 HydrophobicContact CB-CE1 4.08Å; V843-Y850 HydrophobicContact CB-CE2 4.37Å; V843-Y850 HydrophobicContact CB-CG 4.15Å; V843-Y850 HydrophobicContact CG1-CD1 3.55Å; V843-Y850 HydrophobicContact CG1-CD2 4.2Å; V843-Y850 HydrophobicContact CG1-CE1 4.04Å; V843-Y850 HydrophobicContact CG1-CG 3.61Å; V843-Y850 HydrophobicContact CG2-CD1 4.15Å; V843-Y850 HydrophobicContact CG2-CE1 3.79Å; V843-Y850 VanDerWaalsContact O-CB 3.26Å; V843-Y850 WeakPolarHBondContact O-CB 3.25Å; V843-Y850 WeakPolarHBondContact O-CD2 3.21Å; V843-F867 HydrophobicContact CB-CZ 4.36Å; V843-F867 HydrophobicContact CG1-CE1 3.71Å; V843-F867 HydrophobicContact CG1-CE2 4.16Å; V843-F867 HydrophobicContact CG1-CZ 3.21Å |
| 844 | L | 64.1 | Low | 63.9 | Low | 108 Ų | 108 | 80.8 Ų | 80.8 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -89.4 | -27.4 | -177.3 | -93.7 | 175.8 | 0 | 0 | 0 | 114.9 | L847 M874 | L844-L847 HydrophobicContact CD2-CD1 4.3Å; L844-L847 HydrophobicContact CD2-CD2 4.22Å; L844-L847 WeakPolarHBondContact O-CB 3.31Å; L844-L847 PolarHBondContact O-N 2.99Å; L844-M874 HydrophobicContact CD2-CE 4.42Å |
| 845 | R | 65.9 | Low | 64.2 | Low | 187 Ų | 187 | 76.7 Ų | 76.7 | 71% | 0.706 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.2 | -49.3 | -175.5 | 175.7 | -168 | 68.5 | -153.8 | -6.6 | 110.2 | L847 | R845-L847 PolarHBondContact O-N 3.35Å |
| 846 | D | 65.2 | Low | 64.3 | Low | 33 Ų | 33 | 74.3 Ų | 74.3 | 18% | 0.176 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 30.1 | 172.4 | -55.3 | -21 | 0 | 0 | 0 | 106.3 | P848 Q849 Y850 | D846-P848 VanDerWaalsContact C-N 3.29Å; D846-P848 CarbonylContact O-C 3.59Å; D846-P848 VanDerWaalsContact O-N 3.14Å; D846-Q849 HydrophobicContact CB-CB 3.8Å; D846-Q849 HydrophobicContact CB-CG 4.05Å; D846-Q849 CarbonylContact O-C 3.58Å; D846-Q849 WeakPolarHBondContact O-CA 3.38Å; D846-Q849 WeakPolarHBondContact O-CB 3.46Å; D846-Q849 PolarHBondContact O-N 3.47Å; D846-Y850 HydrophobicContact CB-CD2 3.37Å; D846-Y850 HydrophobicContact CB-CE2 3.33Å; D846-Y850 VanDerWaalsContact O-CD2 3.3Å; D846-Y850 WeakPolarHBondContact O-CD2 3.33Å; D846-Y850 PolarHBondContact O-N 3.44Å |
| 847 | L | 68.8 | Low | 64.1 | Low | 33 Ų | 33 | 74.7 Ų | 74.7 | 17% | 0.173 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -53.1 | -35.8 | -176.5 | 179 | 66.7 | 0 | 0 | 0 | 112.8 | L844 R845 Q849 Y850 M851 L871 | L844-L847 HydrophobicContact CD2-CD1 4.3Å; L844-L847 HydrophobicContact CD2-CD2 4.22Å; L844-L847 WeakPolarHBondContact O-CB 3.31Å; L844-L847 PolarHBondContact O-N 2.99Å; R845-L847 PolarHBondContact O-N 3.35Å; L847-Q849 VanDerWaalsContact C-N 3.34Å; L847-Y850 PolarHBondContact O-N 2.88Å; L847-M851 HydrophobicContact CD1-CG 3.7Å; L847-M851 HydrophobicContact CD1-SD 4.26Å; L847-M851 HydrophobicContact CG-CE 3.95Å; L847-M851 HydrophobicContact CG-CG 3.96Å; L847-M851 HydrophobicContact CG-SD 4.04Å; L847-M851 VanDerWaalsContact O-CA 3.31Å; L847-M851 WeakPolarHBondContact O-CA 3.49Å; L847-M851 WeakPolarHBondContact O-CB 3.29Å; L847-M851 WeakPolarHBondContact O-CE 3.34Å; L847-M851 WeakPolarHBondContact O-CG 3.26Å; L847-M851 PolarHBondContact O-N 3.39Å; L847-L871 HydrophobicContact CD1-CD1 3.82Å; L847-L871 HydrophobicContact CD1-CD2 3.41Å; L847-L871 VanDerWaalsContact CD1-CD2 3.41Å; L847-L871 HydrophobicContact CD1-CG 4.11Å |
| 848 | P | 70 | Confident | 63.7 | Low | 80 Ų | 80 | 70.5 Ų | 70.5 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 167 | -23.6 | 35.2 | 0 | 0 | 0 | 113.3 | D846 M851 N852 | D846-P848 VanDerWaalsContact C-N 3.29Å; D846-P848 CarbonylContact O-C 3.59Å; D846-P848 VanDerWaalsContact O-N 3.14Å; P848-M851 HydrophobicContact CB-CE 4.44Å; P848-M851 HydrophobicContact CG-CE 4.44Å; P848-N852 WeakPolarHBondContact O-CA 3.16Å; P848-N852 WeakPolarHBondContact O-CB 3.31Å; P848-N852 PolarHBondContact O-N 3.2Å |
| 849 | Q | 65.9 | Low | 63 | Low | 108 Ų | 108 | 68 Ų | 68 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -81 | -12.8 | 173.2 | 166.5 | 173.3 | 11.3 | 0 | 0 | 114.3 | D846 L847 N852 D853 | D846-Q849 HydrophobicContact CB-CB 3.8Å; D846-Q849 HydrophobicContact CB-CG 4.05Å; D846-Q849 CarbonylContact O-C 3.58Å; D846-Q849 WeakPolarHBondContact O-CA 3.38Å; D846-Q849 WeakPolarHBondContact O-CB 3.46Å; D846-Q849 PolarHBondContact O-N 3.47Å; L847-Q849 VanDerWaalsContact C-N 3.34Å; Q849-N852 CarbonylContact O-C 3.57Å; Q849-D853 WeakPolarHBondContact O-CA 3.41Å; Q849-D853 WeakPolarHBondContact O-CB 3.44Å; Q849-D853 PolarHBondContact O-N 2.93Å |
| 850 | Y | 64.4 | Low | 61.6 | Low | 29 Ų | 29 | 65 Ų | 65 | 11% | 0.114 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -105.1 | -28.5 | 171.1 | -80 | -75.8 | 0 | 0 | 0 | 111.1 | L842 V843 D846 L847 D853 L854 | L842-Y850 WeakPolarHBondContact CA-OH 3.41Å; L842-Y850 WeakPolarHBondContact CB-OH 3.39Å; L842-Y850 WeakPolarHBondContact CD2-OH 3.46Å; L842-Y850 WeakPolarHBondContact CG-OH 3.36Å; L842-Y850 WeakPolarHBondContact O-CE2 3.49Å; L842-Y850 VanDerWaalsContact O-CZ 3.3Å; L842-Y850 PolarHBondContact O-OH 3.4Å; V843-Y850 VanDerWaalsContact CA-CZ 3.43Å; V843-Y850 HydrophobicContact CB-CD1 4.07Å; V843-Y850 HydrophobicContact CB-CD2 4.3Å; V843-Y850 HydrophobicContact CB-CE1 4.08Å; V843-Y850 HydrophobicContact CB-CE2 4.37Å; V843-Y850 HydrophobicContact CB-CG 4.15Å; V843-Y850 HydrophobicContact CG1-CD1 3.55Å; V843-Y850 HydrophobicContact CG1-CD2 4.2Å; V843-Y850 HydrophobicContact CG1-CE1 4.04Å; V843-Y850 HydrophobicContact CG1-CG 3.61Å; V843-Y850 HydrophobicContact CG2-CD1 4.15Å; V843-Y850 HydrophobicContact CG2-CE1 3.79Å; V843-Y850 VanDerWaalsContact O-CB 3.26Å; V843-Y850 WeakPolarHBondContact O-CB 3.25Å; V843-Y850 WeakPolarHBondContact O-CD2 3.21Å; D846-Y850 HydrophobicContact CB-CD2 3.37Å; D846-Y850 HydrophobicContact CB-CE2 3.33Å; D846-Y850 VanDerWaalsContact O-CD2 3.3Å; D846-Y850 WeakPolarHBondContact O-CD2 3.33Å; D846-Y850 PolarHBondContact O-N 3.44Å; L847-Y850 PolarHBondContact O-N 2.88Å; Y850-D853 HydrophobicContact CD1-CB 4.11Å; Y850-L854 VanDerWaalsContact O-CA 3.29Å; Y850-L854 WeakPolarHBondContact O-CA 3.22Å; Y850-L854 WeakPolarHBondContact O-CB 3.37Å; Y850-L854 PolarHBondContact O-N 3.09Å |
| 851 | M | 67.3 | Low | 60.9 | Low | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 154.3 | -71.8 | -177.7 | -55.6 | 0 | 0 | 105.2 | L847 P848 I855 L871 T883 F901 | L847-M851 HydrophobicContact CD1-CG 3.7Å; L847-M851 HydrophobicContact CD1-SD 4.26Å; L847-M851 HydrophobicContact CG-CE 3.95Å; L847-M851 HydrophobicContact CG-CG 3.96Å; L847-M851 HydrophobicContact CG-SD 4.04Å; L847-M851 VanDerWaalsContact O-CA 3.31Å; L847-M851 WeakPolarHBondContact O-CA 3.49Å; L847-M851 WeakPolarHBondContact O-CB 3.29Å; L847-M851 WeakPolarHBondContact O-CE 3.34Å; L847-M851 WeakPolarHBondContact O-CG 3.26Å; L847-M851 PolarHBondContact O-N 3.39Å; P848-M851 HydrophobicContact CB-CE 4.44Å; P848-M851 HydrophobicContact CG-CE 4.44Å; M851-I855 HydrophobicContact CB-CD1 4.34Å; M851-I855 WeakPolarHBondContact O-CA 3.27Å; M851-I855 WeakPolarHBondContact O-CB 3.45Å; M851-I855 WeakPolarHBondContact O-CD1 3.47Å; M851-I855 WeakPolarHBondContact O-CG1 3.46Å; M851-I855 PolarHBondContact O-N 3.44Å; M851-L871 HydrophobicContact CG-CD1 4.11Å; M851-T883 HydrophobicContact CB-CG2 3.84Å; M851-T883 HydrophobicContact CE-CG2 4.03Å; M851-F901 HydrophobicContact CB-CE2 4.42Å; M851-F901 HydrophobicContact CB-CZ 4.46Å; M851-F901 HydrophobicContact CG-CE2 4.3Å; M851-F901 HydrophobicContact CG-CZ 3.86Å; M851-F901 HydrophobicContact SD-CE1 4.34Å; M851-F901 HydrophobicContact SD-CZ 3.99Å |
| 852 | N | 67.8 | Low | 60.3 | Low | 35 Ų | 35 | 56.4 Ų | 56.4 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59 | -56.4 | 169.5 | -155.2 | 53.6 | 0 | 0 | 0 | 111.4 | P848 Q849 L854 I855 V856 Q891 | P848-N852 WeakPolarHBondContact O-CA 3.16Å; P848-N852 WeakPolarHBondContact O-CB 3.31Å; P848-N852 PolarHBondContact O-N 3.2Å; Q849-N852 CarbonylContact O-C 3.57Å; N852-L854 VanDerWaalsContact C-N 3.27Å; N852-L854 PolarHBondContact O-N 3.34Å; N852-I855 CarbonylContact O-C 3.56Å; N852-I855 WeakPolarHBondContact O-CA 3.45Å; N852-I855 WeakPolarHBondContact O-CB 3.45Å; N852-I855 PolarHBondContact O-N 3.49Å; N852-V856 WeakPolarHBondContact O-CB 3.4Å; N852-V856 WeakPolarHBondContact O-CG2 3.34Å; N852-V856 PolarHBondContact O-N 3.05Å; N852-Q891 PolarHBondContact ND2-OE1 3.38Å |
| 853 | D | 60.2 | Low | 59.6 | Low | 58 Ų | 58 | 54 Ų | 54 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68 | -25.4 | -174.1 | -68.8 | -23.2 | 0 | 0 | 0 | 111 | Q849 Y850 V856 A857 | Q849-D853 WeakPolarHBondContact O-CA 3.41Å; Q849-D853 WeakPolarHBondContact O-CB 3.44Å; Q849-D853 PolarHBondContact O-N 2.93Å; Y850-D853 HydrophobicContact CD1-CB 4.11Å; D853-V856 CarbonylContact O-C 3.22Å; D853-V856 PolarHBondContact O-N 2.88Å; D853-A857 VanDerWaalsContact O-CA 3.27Å; D853-A857 WeakPolarHBondContact O-CA 3.4Å; D853-A857 WeakPolarHBondContact O-CB 3.17Å; D853-A857 PolarHBondContact O-N 2.85Å |
| 854 | L | 63.7 | Low | 59 | Low | 27 Ų | 27 | 54.7 Ų | 54.7 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -79.1 | -38 | 170 | -157.4 | 88 | 0 | 0 | 0 | 109.2 | Y850 N852 V856 F867 A868 L871 N894 A897 | Y850-L854 VanDerWaalsContact O-CA 3.29Å; Y850-L854 WeakPolarHBondContact O-CA 3.22Å; Y850-L854 WeakPolarHBondContact O-CB 3.37Å; Y850-L854 PolarHBondContact O-N 3.09Å; N852-L854 VanDerWaalsContact C-N 3.27Å; N852-L854 PolarHBondContact O-N 3.34Å; L854-V856 PolarHBondContact O-N 2.97Å; L854-F867 HydrophobicContact CD1-CD1 3.35Å; L854-F867 HydrophobicContact CD1-CE1 3.8Å; L854-F867 HydrophobicContact CD1-CG 4.43Å; L854-F867 HydrophobicContact CD2-CD1 3.72Å; L854-F867 HydrophobicContact CD2-CE1 4.3Å; L854-F867 HydrophobicContact CG-CD1 4.15Å; L854-A868 HydrophobicContact CD2-CB 4.47Å; L854-L871 HydrophobicContact CD2-CD1 4.06Å; L854-N894 HydrophobicContact CD2-CB 4.3Å; L854-N894 WeakPolarHBondContact CD2-ND2 3.31Å; L854-N894 HydrophobicContact CG-CB 3.97Å; L854-N894 WeakPolarHBondContact CG-ND2 3.4Å; L854-N894 WeakPolarHBondContact O-CA 3.38Å; L854-N894 WeakPolarHBondContact O-CB 3.35Å; L854-N894 PolarHBondContact O-N 3.32Å; L854-A897 HydrophobicContact CD2-CB 3.88Å |
| 855 | I | 64.7 | Low | 58.6 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -3.7 | 162.2 | -68.4 | 164.8 | 0 | 0 | 0 | 110.8 | M851 N852 T883 V887 L893 F901 | M851-I855 HydrophobicContact CB-CD1 4.34Å; M851-I855 WeakPolarHBondContact O-CA 3.27Å; M851-I855 WeakPolarHBondContact O-CB 3.45Å; M851-I855 WeakPolarHBondContact O-CD1 3.47Å; M851-I855 WeakPolarHBondContact O-CG1 3.46Å; M851-I855 PolarHBondContact O-N 3.44Å; N852-I855 CarbonylContact O-C 3.56Å; N852-I855 WeakPolarHBondContact O-CA 3.45Å; N852-I855 WeakPolarHBondContact O-CB 3.45Å; N852-I855 PolarHBondContact O-N 3.49Å; I855-T883 HydrophobicContact CD1-CG2 4.27Å; I855-V887 HydrophobicContact CD1-CG2 4.09Å; I855-V887 HydrophobicContact CG2-CB 4.33Å; I855-V887 HydrophobicContact CG2-CG1 3.94Å; I855-V887 HydrophobicContact CG2-CG2 3.78Å; I855-L893 HydrophobicContact CG2-CB 4.14Å; I855-L893 HydrophobicContact CG2-CD1 4.29Å; I855-L893 HydrophobicContact CG2-CD2 3.61Å; I855-L893 HydrophobicContact CG2-CG 4.21Å; I855-L893 WeakPolarHBondContact O-CA 3.45Å; I855-L893 VanDerWaalsContact O-CB 3.25Å; I855-L893 WeakPolarHBondContact O-CB 3.47Å; I855-L893 WeakPolarHBondContact O-CD2 3.31Å; I855-F901 HydrophobicContact CD1-CD2 4.22Å; I855-F901 HydrophobicContact CD1-CE2 3.95Å; I855-F901 HydrophobicContact CG1-CE2 4.36Å |
| 856 | V | 55 | Low | 58.3 | Low | 37 Ų | 37 | 52.9 Ų | 52.9 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -27.1 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | N852 D853 L854 P858 Q891 N892 | N852-V856 WeakPolarHBondContact O-CB 3.4Å; N852-V856 WeakPolarHBondContact O-CG2 3.34Å; N852-V856 PolarHBondContact O-N 3.05Å; D853-V856 CarbonylContact O-C 3.22Å; D853-V856 PolarHBondContact O-N 2.88Å; L854-V856 PolarHBondContact O-N 2.97Å; V856-P858 WeakPolarHBondContact O-CD 3.19Å; V856-Q891 HydrophobicContact CB-CB 4.09Å; V856-Q891 HydrophobicContact CB-CG 4.39Å; V856-Q891 HydrophobicContact CG1-CB 3.84Å; V856-Q891 HydrophobicContact CG1-CG 3.84Å; V856-Q891 HydrophobicContact CG2-CB 3.8Å; V856-Q891 HydrophobicContact CG2-CG 3.87Å; V856-N892 CarbonylContact C-O 3.48Å; V856-N892 WeakPolarHBondContact CA-O 3.4Å |
| 857 | A | 56.5 | Low | 58.2 | Low | 46 Ų | 46 | 53.6 Ų | 53.6 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -78.9 | 119 | -173.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | D853 N892 | D853-A857 VanDerWaalsContact O-CA 3.27Å; D853-A857 WeakPolarHBondContact O-CA 3.4Å; D853-A857 WeakPolarHBondContact O-CB 3.17Å; D853-A857 PolarHBondContact O-N 2.85Å; A857-N892 CarbonylContact C-O 3.12Å; A857-N892 PolarHBondContact N-O 3.39Å |
| 858 | P | 53.7 | Low | 58.2 | Low | 24 Ų | 24 | 52 Ų | 52 | 16% | 0.156 | 29% | 0.293 | C | S | . | . | trans | -64 | 145.6 | -179.5 | 20.4 | -26.4 | 0 | 0 | 0 | 112 | L824 V856 C860 N892 | L824-P858 HydrophobicContact CB-CG 3.52Å; L824-P858 HydrophobicContact CD1-CG 4.39Å; L824-P858 HydrophobicContact CD2-CG 3.24Å; L824-P858 HydrophobicContact CG-CG 3.83Å; V856-P858 WeakPolarHBondContact O-CD 3.19Å; P858-C860 PolarHBondContact O-N 3.4Å; P858-N892 HydrophobicContact CB-CB 4.12Å | ||
| 859 | A | 47 | Very low | 58.3 | Low | 44 Ų | 44 | 52.8 Ų | 52.8 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | trans | -68.3 | 38.6 | -156.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 860 | C | 37.2 | Very low | 58.4 | Low | 46 Ų | 46 | 53 Ų | 53 | 31% | 0.311 | 29% | 0.293 | S | S | . | . | trans | -81.5 | 137.2 | 178 | -47 | 0 | 0 | 0 | 0 | 113.6 | L826 P858 | L826-C860 HydrophobicContact CB-CB 3.21Å; L826-C860 HydrophobicContact CD1-CB 3.18Å; L826-C860 WeakPolarHBondContact CD1-SG 3.43Å; L826-C860 HydrophobicContact CD2-CB 3.82Å; L826-C860 HydrophobicContact CG-CB 3.48Å; L826-C860 VanDerWaalsContact CG-CB 3.48Å; P858-C860 PolarHBondContact O-N 3.4Å | ||
| 861 | Q | 46 | Very low | 58.9 | Low | 61 Ų | 61 | 51.9 Ų | 51.9 | 29% | 0.285 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 76.9 | 122.8 | 166.3 | -49.9 | -176.8 | 12.6 | 0 | 0 | 113.1 | L826 F828 V830 K863 S864 | L826-Q861 PolarHBondContact O-NE2 2.91Å; F828-Q861 PolarHBondContact O-NE2 3.13Å; V830-Q861 VanDerWaalsContact CB-OE1 3.29Å; V830-Q861 HydrophobicContact CG2-CB 4.25Å; V830-Q861 HydrophobicContact CG2-CG 4.3Å; Q861-K863 PolarHBondContact O-N 3.26Å; Q861-S864 PolarHBondContact O-N 3.44Å; Q861-S864 PolarHBondContact O-OG 3.32Å |
| 862 | S | 49.9 | Very low | 59.2 | Low | 108 Ų | 108 | 52 Ų | 52 | 76% | 0.755 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -35.6 | -9.3 | 177.2 | 52.8 | 0 | 0 | 0 | 0 | 119 | ||
| 863 | K | 51.1 | Low | 59.5 | Low | 47 Ų | 47 | 55.1 Ų | 55.1 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -77.4 | -16.9 | 173.6 | -64.6 | 167.3 | -166.3 | 155.9 | 0 | 113.7 | V830 K831 Q861 M865 F867 | V830-K863 HydrophobicContact CB-CD 3.78Å; V830-K863 HydrophobicContact CG1-CB 4.28Å; V830-K863 HydrophobicContact CG1-CD 3.5Å; K831-K863 VanDerWaalsContact CG-NZ 3.31Å; Q861-K863 PolarHBondContact O-N 3.26Å; K863-M865 VanDerWaalsContact C-N 3.32Å; K863-M865 PolarHBondContact O-N 2.88Å; K863-F867 PolarHBondContact O-N 3.28Å |
| 864 | S | 54.3 | Low | 60.2 | Low | 30 Ų | 30 | 58.1 Ų | 58.1 | 21% | 0.21 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -31.1 | 177.2 | 58.3 | 0 | 0 | 0 | 0 | 113.5 | Q861 A868 N894 | Q861-S864 PolarHBondContact O-N 3.44Å; Q861-S864 PolarHBondContact O-OG 3.32Å; S864-A868 WeakPolarHBondContact O-CB 3.17Å; S864-A868 PolarHBondContact O-N 2.97Å; S864-N894 PolarHBondContact O-ND2 2.97Å |
| 865 | M | 56.9 | Low | 61.1 | Low | 113 Ų | 113 | 57.7 Ų | 57.7 | 56% | 0.557 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -76.4 | -46.5 | -179 | -177.7 | -174.2 | 176.5 | 0 | 0 | 113.5 | K863 F867 A868 L869 | K863-M865 VanDerWaalsContact C-N 3.32Å; K863-M865 PolarHBondContact O-N 2.88Å; M865-F867 PolarHBondContact O-N 3.38Å; M865-A868 PolarHBondContact O-N 3.25Å; M865-L869 PolarHBondContact O-N 2.69Å; M865-L869 VanDerWaalsContact O-N 3.15Å |
| 866 | E | 59 | Low | 62 | Low | 144 Ų | 144 | 61.1 Ų | 61.1 | 67% | 0.673 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -54.2 | -40.7 | 171.3 | -86.7 | -176.2 | 160.3 | 0 | 0 | 110.5 | Q870 | E866-Q870 WeakPolarHBondContact O-CG 3.39Å; E866-Q870 PolarHBondContact O-N 3.29Å |
| 867 | F | 62.6 | Low | 63.3 | Low | 49 Ų | 49 | 60.3 Ų | 60.3 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.3 | -45.6 | 179.3 | -160.6 | -107.6 | 0 | 0 | 0 | 111.9 | V843 L854 K863 M865 Q870 L871 | V843-F867 HydrophobicContact CB-CZ 4.36Å; V843-F867 HydrophobicContact CG1-CE1 3.71Å; V843-F867 HydrophobicContact CG1-CE2 4.16Å; V843-F867 HydrophobicContact CG1-CZ 3.21Å; L854-F867 HydrophobicContact CD1-CD1 3.35Å; L854-F867 HydrophobicContact CD1-CE1 3.8Å; L854-F867 HydrophobicContact CD1-CG 4.43Å; L854-F867 HydrophobicContact CD2-CD1 3.72Å; L854-F867 HydrophobicContact CD2-CE1 4.3Å; L854-F867 HydrophobicContact CG-CD1 4.15Å; K863-F867 PolarHBondContact O-N 3.28Å; M865-F867 PolarHBondContact O-N 3.38Å; F867-Q870 PolarHBondContact O-N 3.29Å; F867-L871 HydrophobicContact CD1-CD1 4.05Å; F867-L871 HydrophobicContact CD1-CG 4.29Å; F867-L871 HydrophobicContact CE1-CD1 3.61Å; F867-L871 HydrophobicContact CE1-CD2 4.24Å; F867-L871 HydrophobicContact CE1-CG 4.01Å; F867-L871 HydrophobicContact CZ-CD1 4.22Å; F867-L871 HydrophobicContact CZ-CD2 4.02Å; F867-L871 HydrophobicContact CZ-CG 4.27Å; F867-L871 WeakPolarHBondContact O-CG 3.48Å; F867-L871 PolarHBondContact O-N 2.86Å |
| 868 | A | 69.8 | Low | 64.6 | Low | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.4 | -50.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | L854 S864 M865 Q870 L871 A872 T896 A897 | L854-A868 HydrophobicContact CD2-CB 4.47Å; S864-A868 WeakPolarHBondContact O-CB 3.17Å; S864-A868 PolarHBondContact O-N 2.97Å; M865-A868 PolarHBondContact O-N 3.25Å; A868-Q870 VanDerWaalsContact C-N 3.3Å; A868-Q870 PolarHBondContact O-N 3.31Å; A868-L871 PolarHBondContact O-N 2.98Å; A868-L871 VanDerWaalsContact O-N 3.16Å; A868-A872 PolarHBondContact O-N 3.29Å; A868-T896 WeakPolarHBondContact CB-OG1 3.49Å; A868-A897 HydrophobicContact CB-CB 3.64Å |
| 869 | L | 71.9 | Confident | 65.9 | Low | 95 Ų | 95 | 68 Ų | 68 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 178.8 | 178 | 68.8 | 0 | 0 | 0 | 111.5 | M865 A872 S873 F900 | M865-L869 PolarHBondContact O-N 2.69Å; M865-L869 VanDerWaalsContact O-N 3.15Å; L869-A872 PolarHBondContact O-N 3.15Å; L869-S873 PolarHBondContact O-N 2.85Å; L869-F900 HydrophobicContact CB-CE2 4.25Å; L869-F900 HydrophobicContact CD1-CD1 3.99Å; L869-F900 HydrophobicContact CD1-CD2 4.39Å; L869-F900 HydrophobicContact CD1-CE1 3.65Å; L869-F900 HydrophobicContact CD1-CE2 4.11Å; L869-F900 HydrophobicContact CD1-CG 4.37Å; L869-F900 HydrophobicContact CD1-CZ 3.74Å |
| 870 | Q | 67.9 | Low | 67.7 | Low | 113 Ų | 113 | 66 Ų | 66 | 53% | 0.528 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 174.7 | -75.5 | -174.8 | -0.3 | 0 | 0 | 111.2 | E866 F867 A868 S873 M874 | E866-Q870 WeakPolarHBondContact O-CG 3.39Å; E866-Q870 PolarHBondContact O-N 3.29Å; F867-Q870 PolarHBondContact O-N 3.29Å; A868-Q870 VanDerWaalsContact C-N 3.3Å; A868-Q870 PolarHBondContact O-N 3.31Å; Q870-S873 PolarHBondContact O-OG 3.3Å; Q870-M874 VanDerWaalsContact O-CG 3.28Å; Q870-M874 WeakPolarHBondContact O-CG 3.44Å |
| 871 | L | 74.5 | Confident | 69.8 | Low | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66 | -40 | 177.4 | -66.4 | -166.4 | 0 | 0 | 0 | 113.3 | L847 M851 L854 F867 A868 M874 F901 | L847-L871 HydrophobicContact CD1-CD1 3.82Å; L847-L871 HydrophobicContact CD1-CD2 3.41Å; L847-L871 VanDerWaalsContact CD1-CD2 3.41Å; L847-L871 HydrophobicContact CD1-CG 4.11Å; M851-L871 HydrophobicContact CG-CD1 4.11Å; L854-L871 HydrophobicContact CD2-CD1 4.06Å; F867-L871 HydrophobicContact CD1-CD1 4.05Å; F867-L871 HydrophobicContact CD1-CG 4.29Å; F867-L871 HydrophobicContact CE1-CD1 3.61Å; F867-L871 HydrophobicContact CE1-CD2 4.24Å; F867-L871 HydrophobicContact CE1-CG 4.01Å; F867-L871 HydrophobicContact CZ-CD1 4.22Å; F867-L871 HydrophobicContact CZ-CD2 4.02Å; F867-L871 HydrophobicContact CZ-CG 4.27Å; F867-L871 WeakPolarHBondContact O-CG 3.48Å; F867-L871 PolarHBondContact O-N 2.86Å; A868-L871 PolarHBondContact O-N 2.98Å; A868-L871 VanDerWaalsContact O-N 3.16Å; L871-M874 PolarHBondContact O-N 3.47Å; L871-F901 HydrophobicContact CB-CE1 4.26Å; L871-F901 HydrophobicContact CB-CZ 4.19Å |
| 872 | A | 74.6 | Confident | 71.5 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72.2 | -39.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A868 L869 M874 A875 F900 F901 | A868-A872 PolarHBondContact O-N 3.29Å; L869-A872 PolarHBondContact O-N 3.15Å; A872-M874 PolarHBondContact O-N 3.5Å; A872-A875 PolarHBondContact O-N 3.21Å; A872-F900 HydrophobicContact CB-CB 3.31Å; A872-F900 HydrophobicContact CB-CG 4.31Å; A872-F901 HydrophobicContact CB-CD1 3.47Å; A872-F901 VanDerWaalsContact CB-CD1 3.47Å; A872-F901 HydrophobicContact CB-CE1 3.55Å |
| 873 | S | 73.1 | Confident | 72.8 | Confident | 102 Ų | 102 | 61 Ų | 61 | 71% | 0.713 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.1 | -20.9 | 173.5 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | L869 Q870 | L869-S873 PolarHBondContact O-N 2.85Å; Q870-S873 PolarHBondContact O-OG 3.3Å |
| 874 | M | 74 | Confident | 74.2 | Confident | 120 Ų | 120 | 58.8 Ų | 58.8 | 59% | 0.591 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -4.8 | -178.3 | -63.9 | 177.3 | 67.9 | 0 | 0 | 114.4 | L844 Q870 L871 A872 | L844-M874 HydrophobicContact CD2-CE 4.42Å; Q870-M874 VanDerWaalsContact O-CG 3.28Å; Q870-M874 WeakPolarHBondContact O-CG 3.44Å; L871-M874 PolarHBondContact O-N 3.47Å; A872-M874 PolarHBondContact O-N 3.5Å |
| 875 | A | 83.6 | Confident | 75.4 | Confident | 18 Ų | 18 | 58 Ų | 58 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | trans | -102.9 | 148.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A872 L880 | A872-A875 PolarHBondContact O-N 3.21Å; A875-L880 HydrophobicContact CB-CD1 4.36Å; A875-L880 HydrophobicContact CB-CD2 3.79Å; A875-L880 HydrophobicContact CB-CG 3.86Å | ||
| 876 | T | 83.6 | Confident | 76.2 | Confident | 73 Ų | 73 | 57.2 Ų | 57.2 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | trans | -93.1 | 159 | 174.5 | 59 | 0 | 0 | 0 | 0 | 113.4 | E878 Q879 L880 | T876-E878 VanDerWaalsContact C-N 3.28Å; T876-E878 PolarHBondContact O-N 3.15Å; T876-Q879 VanDerWaalsContact N-OE1 3.1Å; T876-Q879 PolarHBondContact O-N 2.96Å; T876-Q879 WeakPolarHBondContact OG1-CB 3.21Å; T876-Q879 WeakPolarHBondContact OG1-CG 3.26Å; T876-Q879 PolarHBondContact OG1-N 3.01Å; T876-Q879 PolarHBondContact OG1-OE1 2.99Å; T876-L880 WeakPolarHBondContact O-CB 3.49Å; T876-L880 VanDerWaalsContact O-CG 3.28Å; T876-L880 WeakPolarHBondContact O-CG 3.44Å; T876-L880 PolarHBondContact O-N 3.08Å | ||
| 877 | A | 81.8 | Confident | 76.5 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.9 | -38.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | M881 F908 | A877-M881 WeakPolarHBondContact O-CB 3.32Å; A877-M881 WeakPolarHBondContact O-CE 3.1Å; A877-M881 VanDerWaalsContact O-CG 3.27Å; A877-M881 WeakPolarHBondContact O-CG 3.45Å; A877-M881 PolarHBondContact O-N 2.76Å; A877-F908 HydrophobicContact CB-CD2 3.72Å; A877-F908 HydrophobicContact CB-CE2 3.82Å; A877-F908 HydrophobicContact CB-CG 4.36Å |
| 878 | E | 83.6 | Confident | 76.4 | Confident | 128 Ų | 128 | 52.2 Ų | 52.2 | 60% | 0.598 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -71.4 | -43.1 | 176.3 | -64.6 | -173 | 161.3 | 0 | 0 | 112.6 | T876 L880 M881 V882 | T876-E878 VanDerWaalsContact C-N 3.28Å; T876-E878 PolarHBondContact O-N 3.15Å; E878-L880 VanDerWaalsContact C-N 3.3Å; E878-L880 PolarHBondContact O-N 3.37Å; E878-M881 HydrophobicContact CG-CE 4.16Å; E878-M881 PolarHBondContact O-N 2.82Å; E878-V882 WeakPolarHBondContact O-CB 3.27Å; E878-V882 VanDerWaalsContact O-CG2 3.3Å; E878-V882 WeakPolarHBondContact O-CG2 3.46Å; E878-V882 PolarHBondContact O-N 3.43Å |
| 879 | Q | 82 | Confident | 75.6 | Confident | 103 Ų | 103 | 53.9 Ų | 53.9 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 174.4 | -74.2 | 166.7 | -24.1 | 0 | 0 | 111.7 | T876 T883 | T876-Q879 VanDerWaalsContact N-OE1 3.1Å; T876-Q879 PolarHBondContact O-N 2.96Å; T876-Q879 WeakPolarHBondContact OG1-CB 3.21Å; T876-Q879 WeakPolarHBondContact OG1-CG 3.26Å; T876-Q879 PolarHBondContact OG1-N 3.01Å; T876-Q879 PolarHBondContact OG1-OE1 2.99Å; Q879-T883 VanDerWaalsContact O-CB 3.26Å; Q879-T883 WeakPolarHBondContact O-CB 3.42Å; Q879-T883 PolarHBondContact O-N 3.08Å; Q879-T883 PolarHBondContact O-OG1 3.4Å |
| 880 | L | 83.8 | Confident | 74.6 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.1 | -47.8 | 173.3 | -70.5 | 169.5 | 0 | 0 | 0 | 110.8 | A875 T876 E878 V882 T883 L884 F901 Q904 | A875-L880 HydrophobicContact CB-CD1 4.36Å; A875-L880 HydrophobicContact CB-CD2 3.79Å; A875-L880 HydrophobicContact CB-CG 3.86Å; T876-L880 WeakPolarHBondContact O-CB 3.49Å; T876-L880 VanDerWaalsContact O-CG 3.28Å; T876-L880 WeakPolarHBondContact O-CG 3.44Å; T876-L880 PolarHBondContact O-N 3.08Å; E878-L880 VanDerWaalsContact C-N 3.3Å; E878-L880 PolarHBondContact O-N 3.37Å; L880-V882 VanDerWaalsContact C-N 3.34Å; L880-V882 PolarHBondContact O-N 3.12Å; L880-T883 PolarHBondContact O-N 3.28Å; L880-L884 HydrophobicContact CB-CD1 4.41Å; L880-L884 WeakPolarHBondContact O-CA 2.97Å; L880-L884 WeakPolarHBondContact O-CB 3.43Å; L880-L884 WeakPolarHBondContact O-CD1 3.2Å; L880-L884 WeakPolarHBondContact O-CG 3.48Å; L880-L884 PolarHBondContact O-N 3.32Å; L880-F901 HydrophobicContact CD2-CB 3.59Å; L880-F901 HydrophobicContact CD2-CD1 3.65Å; L880-F901 HydrophobicContact CD2-CG 3.71Å; L880-Q904 HydrophobicContact CD1-CB 4.27Å; L880-Q904 HydrophobicContact CD1-CG 4.17Å |
| 881 | M | 82.4 | Confident | 73.8 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.059 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 176.2 | -75.4 | -175.4 | -68.6 | 0 | 0 | 112.1 | A877 E878 S885 L905 | A877-M881 WeakPolarHBondContact O-CB 3.32Å; A877-M881 WeakPolarHBondContact O-CE 3.1Å; A877-M881 VanDerWaalsContact O-CG 3.27Å; A877-M881 WeakPolarHBondContact O-CG 3.45Å; A877-M881 PolarHBondContact O-N 2.76Å; E878-M881 HydrophobicContact CG-CE 4.16Å; E878-M881 PolarHBondContact O-N 2.82Å; M881-S885 WeakPolarHBondContact O-CB 3.25Å; M881-S885 PolarHBondContact O-N 2.96Å; M881-S885 PolarHBondContact O-OG 2.94Å; M881-L905 HydrophobicContact CG-CD1 3.71Å; M881-L905 HydrophobicContact CG-CD2 4.06Å; M881-L905 HydrophobicContact SD-CD1 4.27Å |
| 882 | V | 82 | Confident | 72.8 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 53% | 0.533 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.4 | -47.2 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | E878 L880 S885 N886 | E878-V882 WeakPolarHBondContact O-CB 3.27Å; E878-V882 VanDerWaalsContact O-CG2 3.3Å; E878-V882 WeakPolarHBondContact O-CG2 3.46Å; E878-V882 PolarHBondContact O-N 3.43Å; L880-V882 VanDerWaalsContact C-N 3.34Å; L880-V882 PolarHBondContact O-N 3.12Å; V882-S885 WeakPolarHBondContact O-CB 3.43Å; V882-S885 PolarHBondContact O-N 3.44Å; V882-N886 PolarHBondContact O-N 3.4Å; V882-N886 VanDerWaalsContact O-N 3.11Å |
| 883 | T | 77.3 | Confident | 72.2 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.8 | -46.8 | 179.3 | -48.9 | 0 | 0 | 0 | 0 | 110.6 | M851 I855 Q879 L880 S885 N886 V887 | M851-T883 HydrophobicContact CB-CG2 3.84Å; M851-T883 HydrophobicContact CE-CG2 4.03Å; I855-T883 HydrophobicContact CD1-CG2 4.27Å; Q879-T883 VanDerWaalsContact O-CB 3.26Å; Q879-T883 WeakPolarHBondContact O-CB 3.42Å; Q879-T883 PolarHBondContact O-N 3.08Å; Q879-T883 PolarHBondContact O-OG1 3.4Å; L880-T883 PolarHBondContact O-N 3.28Å; T883-S885 PolarHBondContact O-N 2.86Å; T883-N886 CarbonylContact O-C 3.05Å; T883-N886 WeakPolarHBondContact O-CA 2.92Å; T883-N886 PolarHBondContact O-N 3.32Å; T883-V887 PolarHBondContact O-N 3.1Å; T883-V887 VanDerWaalsContact O-N 3.12Å |
| 884 | L | 79.3 | Confident | 72 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.3 | -20.8 | 175.3 | -64.5 | 170.2 | 0 | 0 | 0 | 113 | L880 V887 L898 F901 W902 L905 C924 V927 | L880-L884 HydrophobicContact CB-CD1 4.41Å; L880-L884 WeakPolarHBondContact O-CA 2.97Å; L880-L884 WeakPolarHBondContact O-CB 3.43Å; L880-L884 WeakPolarHBondContact O-CD1 3.2Å; L880-L884 WeakPolarHBondContact O-CG 3.48Å; L880-L884 PolarHBondContact O-N 3.32Å; L884-V887 HydrophobicContact CD2-CG2 4.17Å; L884-L898 HydrophobicContact CD2-CD1 4.4Å; L884-L898 HydrophobicContact CD2-CG 4.43Å; L884-F901 HydrophobicContact CD1-CB 4.39Å; L884-F901 HydrophobicContact CD2-CB 4.37Å; L884-W902 HydrophobicContact CB-CZ2 4.31Å; L884-W902 HydrophobicContact CD1-CD2 4.07Å; L884-W902 HydrophobicContact CD1-CG 4.15Å; L884-W902 HydrophobicContact CD1-CZ2 4.07Å; L884-L905 HydrophobicContact CD1-CD2 4.11Å; L884-C924 HydrophobicContact CB-CB 4.12Å; L884-V927 WeakPolarHBondContact O-CB 3.32Å; L884-V927 VanDerWaalsContact O-CG1 3.31Å; L884-V927 WeakPolarHBondContact O-CG1 3.42Å; L884-V927 WeakPolarHBondContact O-CG2 3.34Å |
| 885 | S | 79.3 | Confident | 71.5 | Confident | 13 Ų | 13 | 48 Ų | 48 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -78.1 | -22.6 | 169.6 | -71 | 0 | 0 | 0 | 0 | 113 | M881 V882 T883 D922 K923 C924 | M881-S885 WeakPolarHBondContact O-CB 3.25Å; M881-S885 PolarHBondContact O-N 2.96Å; M881-S885 PolarHBondContact O-OG 2.94Å; V882-S885 WeakPolarHBondContact O-CB 3.43Å; V882-S885 PolarHBondContact O-N 3.44Å; T883-S885 PolarHBondContact O-N 2.86Å; S885-D922 PolarHBondContact OG-OD1 2.83Å; S885-K923 VanDerWaalsContact O-CD 3.29Å; S885-K923 WeakPolarHBondContact O-CD 3.47Å; S885-K923 WeakPolarHBondContact O-CE 3.39Å; S885-K923 PolarHBondContact O-NZ 3.25Å; S885-C924 PolarHBondContact OG-N 3.11Å |
| 886 | N | 73.7 | Confident | 70.7 | Confident | 96 Ų | 96 | 48.4 Ų | 48.4 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -93.7 | -8.8 | 178.5 | -71.3 | -15.6 | 0 | 0 | 0 | 113.5 | V882 T883 D888 | V882-N886 PolarHBondContact O-N 3.4Å; V882-N886 VanDerWaalsContact O-N 3.11Å; T883-N886 CarbonylContact O-C 3.05Å; T883-N886 WeakPolarHBondContact O-CA 2.92Å; T883-N886 PolarHBondContact O-N 3.32Å; N886-D888 PolarHBondContact O-N 3.43Å |
| 887 | V | 65.6 | Low | 70 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -59.4 | 107.4 | 169.3 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | I855 T883 L884 L893 V927 I931 | I855-V887 HydrophobicContact CD1-CG2 4.09Å; I855-V887 HydrophobicContact CG2-CB 4.33Å; I855-V887 HydrophobicContact CG2-CG1 3.94Å; I855-V887 HydrophobicContact CG2-CG2 3.78Å; T883-V887 PolarHBondContact O-N 3.1Å; T883-V887 VanDerWaalsContact O-N 3.12Å; L884-V887 HydrophobicContact CD2-CG2 4.17Å; V887-L893 HydrophobicContact CG1-CD1 3.39Å; V887-L893 HydrophobicContact CG1-CD2 3.88Å; V887-L893 HydrophobicContact CG1-CG 4.39Å; V887-V927 HydrophobicContact CB-CG1 3.78Å; V887-V927 HydrophobicContact CG1-CG1 3.97Å; V887-I931 HydrophobicContact CG1-CD1 4.17Å | ||
| 888 | D | 60.4 | Low | 69.7 | Low | 88 Ų | 88 | 44 Ų | 44 | 47% | 0.471 | 24% | 0.238 | S | C | . | . | trans | -83 | 127.9 | 166.5 | -86.8 | -19.1 | 0 | 0 | 0 | 108.2 | N886 S890 Q891 | N886-D888 PolarHBondContact O-N 3.43Å; D888-S890 PolarHBondContact O-N 3.47Å; D888-Q891 PolarHBondContact O-N 3.49Å; D888-Q891 VanDerWaalsContact O-N 3.12Å | ||
| 889 | N | 54.3 | Low | 69.4 | Low | 35 Ų | 35 | 39.2 Ų | 39.2 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -11 | -178.9 | -47.6 | -74.1 | 0 | 0 | 0 | 113.6 | Q891 H930 I931 E934 | N889-Q891 PolarHBondContact O-N 3.41Å; N889-H930 WeakPolarHBondContact CB-CE1 3.22Å; N889-H930 WeakPolarHBondContact CB-ND1 3.39Å; N889-H930 WeakPolarHBondContact ND2-CB 3.37Å; N889-H930 PolarHBondContact ND2-CD2 3.29Å; N889-H930 PolarHBondContact ND2-CE1 3.43Å; N889-H930 PolarHBondContact ND2-ND1 3.27Å; N889-H930 PolarHBondContact ND2-NE2 2.95Å; N889-H930 PolarHBondContact OD1-ND1 2.97Å; N889-I931 WeakPolarHBondContact OD1-CG1 3.07Å; N889-E934 WeakPolarHBondContact CB-OE2 3.31Å |
| 890 | S | 49.2 | Very low | 69.2 | Low | 111 Ų | 111 | 37.8 Ų | 37.8 | 78% | 0.776 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 3.4 | 173.3 | 51.8 | 0 | 0 | 0 | 0 | 114.9 | D888 | D888-S890 PolarHBondContact O-N 3.47Š|
| 891 | Q | 51 | Low | 69.3 | Low | 62 Ų | 62 | 37.7 Ų | 37.7 | 29% | 0.29 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -107.6 | 147.8 | 179.7 | -71 | 177.1 | -18.2 | 0 | 0 | 111.6 | N852 V856 D888 N889 L893 | N852-Q891 PolarHBondContact ND2-OE1 3.38Å; V856-Q891 HydrophobicContact CB-CB 4.09Å; V856-Q891 HydrophobicContact CB-CG 4.39Å; V856-Q891 HydrophobicContact CG1-CB 3.84Å; V856-Q891 HydrophobicContact CG1-CG 3.84Å; V856-Q891 HydrophobicContact CG2-CB 3.8Å; V856-Q891 HydrophobicContact CG2-CG 3.87Å; D888-Q891 PolarHBondContact O-N 3.49Å; D888-Q891 VanDerWaalsContact O-N 3.12Å; N889-Q891 PolarHBondContact O-N 3.41Å; Q891-L893 HydrophobicContact CB-CD2 3.85Å; Q891-L893 WeakPolarHBondContact O-CD2 3.3Å; Q891-L893 WeakPolarHBondContact O-CG 3.48Å; Q891-L893 PolarHBondContact O-N 3.1Å |
| 892 | N | 53.9 | Low | 69.4 | Low | 110 Ų | 110 | 37.1 Ų | 37.1 | 59% | 0.588 | 20% | 0.204 | S | C | * | . | trans | -81.4 | 98.3 | -178.7 | -100.6 | -21.7 | 0 | 0 | 0 | 110.8 | V856 A857 P858 | V856-N892 CarbonylContact C-O 3.48Å; V856-N892 WeakPolarHBondContact CA-O 3.4Å; A857-N892 CarbonylContact C-O 3.12Å; A857-N892 PolarHBondContact N-O 3.39Å; P858-N892 HydrophobicContact CB-CB 4.12Å | ||
| 893 | L | 63 | Low | 69.4 | Low | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | trans | -83.3 | 137.2 | -165.1 | -27.4 | 179.5 | 0 | 0 | 0 | 116.4 | I855 V887 Q891 W895 L898 I931 | I855-L893 HydrophobicContact CG2-CB 4.14Å; I855-L893 HydrophobicContact CG2-CD1 4.29Å; I855-L893 HydrophobicContact CG2-CD2 3.61Å; I855-L893 HydrophobicContact CG2-CG 4.21Å; I855-L893 WeakPolarHBondContact O-CA 3.45Å; I855-L893 VanDerWaalsContact O-CB 3.25Å; I855-L893 WeakPolarHBondContact O-CB 3.47Å; I855-L893 WeakPolarHBondContact O-CD2 3.31Å; V887-L893 HydrophobicContact CG1-CD1 3.39Å; V887-L893 HydrophobicContact CG1-CD2 3.88Å; V887-L893 HydrophobicContact CG1-CG 4.39Å; Q891-L893 HydrophobicContact CB-CD2 3.85Å; Q891-L893 WeakPolarHBondContact O-CD2 3.3Å; Q891-L893 WeakPolarHBondContact O-CG 3.48Å; Q891-L893 PolarHBondContact O-N 3.1Å; L893-W895 HydrophobicContact CB-CD2 4.21Å; L893-W895 HydrophobicContact CB-CE3 4.1Å; L893-W895 HydrophobicContact CB-CH2 3.81Å; L893-W895 HydrophobicContact CB-CZ2 3.89Å; L893-W895 HydrophobicContact CB-CZ3 3.92Å; L893-W895 HydrophobicContact CD1-CE3 4.46Å; L893-W895 HydrophobicContact CD1-CH2 3.38Å; L893-W895 HydrophobicContact CD1-CZ2 4.22Å; L893-W895 HydrophobicContact CD1-CZ3 3.53Å; L893-W895 HydrophobicContact CG-CH2 3.65Å; L893-W895 HydrophobicContact CG-CZ2 3.98Å; L893-W895 HydrophobicContact CG-CZ3 4.08Å; L893-W895 PolarHBondContact O-N 2.79Å; L893-W895 VanDerWaalsContact O-N 3.1Å; L893-W895 PolarHBondContact O-NE1 3.22Å; L893-W895 VanDerWaalsContact O-NE1 3.09Å; L893-L898 HydrophobicContact CD1-CD1 3.79Å; L893-I931 HydrophobicContact CD1-CD1 3.95Å; L893-I931 HydrophobicContact CD1-CG1 4.23Å | ||
| 894 | N | 68.1 | Low | 69.7 | Low | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | trans | -72.1 | 103.1 | 165.5 | -178.9 | -8.4 | 0 | 0 | 0 | 110.4 | L854 S864 T896 A897 L898 | L854-N894 HydrophobicContact CD2-CB 4.3Å; L854-N894 WeakPolarHBondContact CD2-ND2 3.31Å; L854-N894 HydrophobicContact CG-CB 3.97Å; L854-N894 WeakPolarHBondContact CG-ND2 3.4Å; L854-N894 WeakPolarHBondContact O-CA 3.38Å; L854-N894 WeakPolarHBondContact O-CB 3.35Å; L854-N894 PolarHBondContact O-N 3.32Å; S864-N894 PolarHBondContact O-ND2 2.97Å; N894-T896 PolarHBondContact OD1-N 3.08Å; N894-T896 PolarHBondContact OD1-OG1 3.39Å; N894-A897 HydrophobicContact CB-CB 4.31Å; N894-A897 WeakPolarHBondContact O-CB 3.48Å; N894-A897 PolarHBondContact O-N 3.44Å; N894-A897 PolarHBondContact OD1-N 2.89Å; N894-L898 PolarHBondContact O-N 3.36Å; N894-L898 VanDerWaalsContact O-N 3.09Å | ||
| 895 | W | 64.6 | Low | 70.1 | Confident | 26 Ų | 26 | 38.9 Ų | 38.9 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.4 | -30.3 | -173.1 | -57.4 | 118 | 0 | 0 | 0 | 115.9 | L893 A897 L898 E899 I931 Y941 | L893-W895 HydrophobicContact CB-CD2 4.21Å; L893-W895 HydrophobicContact CB-CE3 4.1Å; L893-W895 HydrophobicContact CB-CH2 3.81Å; L893-W895 HydrophobicContact CB-CZ2 3.89Å; L893-W895 HydrophobicContact CB-CZ3 3.92Å; L893-W895 HydrophobicContact CD1-CE3 4.46Å; L893-W895 HydrophobicContact CD1-CH2 3.38Å; L893-W895 HydrophobicContact CD1-CZ2 4.22Å; L893-W895 HydrophobicContact CD1-CZ3 3.53Å; L893-W895 HydrophobicContact CG-CH2 3.65Å; L893-W895 HydrophobicContact CG-CZ2 3.98Å; L893-W895 HydrophobicContact CG-CZ3 4.08Å; L893-W895 PolarHBondContact O-N 2.79Å; L893-W895 VanDerWaalsContact O-N 3.1Å; L893-W895 PolarHBondContact O-NE1 3.22Å; L893-W895 VanDerWaalsContact O-NE1 3.09Å; W895-A897 PolarHBondContact O-N 3.28Å; W895-L898 HydrophobicContact CE3-CB 3.96Å; W895-L898 HydrophobicContact CE3-CD1 4.08Å; W895-L898 HydrophobicContact CE3-CD2 3.94Å; W895-L898 HydrophobicContact CE3-CG 4.19Å; W895-L898 HydrophobicContact CZ3-CD1 3.85Å; W895-L898 HydrophobicContact CZ3-CD2 3.91Å; W895-L898 HydrophobicContact CZ3-CG 4.3Å; W895-L898 CarbonylContact O-C 3.35Å; W895-L898 PolarHBondContact O-N 3.18Å; W895-L898 VanDerWaalsContact O-N 3.15Å; W895-E899 PolarHBondContact O-N 3.42Å; W895-I931 HydrophobicContact CH2-CG2 3.72Å; W895-I931 HydrophobicContact CZ3-CD1 4.35Å; W895-I931 HydrophobicContact CZ3-CG2 3.44Å; W895-I931 VanDerWaalsContact CZ3-CG2 3.44Å; W895-Y941 VanDerWaalsContact CB-CA 3.5Å; W895-Y941 VanDerWaalsContact CB-CB 3.41Å; W895-Y941 HydrophobicContact CB-CD2 3.5Å; W895-Y941 VanDerWaalsContact CB-CD2 3.5Å; W895-Y941 HydrophobicContact CB-CE2 4.5Å; W895-Y941 HydrophobicContact CB-CG 3.68Å; W895-Y941 AromaticContact CD1-CD1 3.55Å; W895-Y941 AromaticContact CD1-CD2 3.68Å; W895-Y941 AromaticContact CD1-CG 3.22Å; W895-Y941 AromaticContact CD2-CD1 3.78Å; W895-Y941 HydrophobicContact CD2-CD1 3.78Å; W895-Y941 AromaticContact CD2-CD2 2.84Å; W895-Y941 HydrophobicContact CD2-CD2 2.84Å; W895-Y941 AromaticContact CD2-CE1 3.86Å; W895-Y941 HydrophobicContact CD2-CE1 3.86Å; W895-Y941 AromaticContact CD2-CE2 3.02Å; W895-Y941 HydrophobicContact CD2-CE2 3.02Å; W895-Y941 AromaticContact CD2-CG 3.29Å; W895-Y941 HydrophobicContact CD2-CG 3.29Å; W895-Y941 AromaticContact CD2-CZ 3.56Å; W895-Y941 AromaticContact CE2-CD1 3.38Å; W895-Y941 AromaticContact CE2-CD2 3.36Å; W895-Y941 AromaticContact CE2-CE1 3.21Å; W895-Y941 AromaticContact CE2-CE2 3.26Å; W895-Y941 AromaticContact CE2-CG 3.45Å; W895-Y941 VanDerWaalsContact CE2-CG 3.45Å; W895-Y941 AromaticContact CE2-CZ 3.19Å; W895-Y941 AromaticContact CE3-CD2 3.07Å; W895-Y941 HydrophobicContact CE3-CD2 3.07Å; W895-Y941 HydrophobicContact CE3-CE1 4.4Å; W895-Y941 AromaticContact CE3-CE2 2.86Å; W895-Y941 HydrophobicContact CE3-CE2 2.86Å; W895-Y941 HydrophobicContact CE3-CG 4Å; W895-Y941 AromaticContact CE3-CZ 3.63Å; W895-Y941 AromaticContact CG-CD1 3.83Å; W895-Y941 HydrophobicContact CG-CD1 3.83Å; W895-Y941 AromaticContact CG-CD2 3.05Å; W895-Y941 HydrophobicContact CG-CD2 3.05Å; W895-Y941 HydrophobicContact CG-CE1 4.4Å; W895-Y941 AromaticContact CG-CE2 3.8Å; W895-Y941 HydrophobicContact CG-CE2 3.8Å; W895-Y941 AromaticContact CG-CG 3.09Å; W895-Y941 HydrophobicContact CG-CG 3.09Å; W895-Y941 HydrophobicContact CH2-CD2 4.13Å; W895-Y941 AromaticContact CH2-CE1 3.81Å; W895-Y941 HydrophobicContact CH2-CE1 3.81Å; W895-Y941 AromaticContact CH2-CE2 3.21Å; W895-Y941 HydrophobicContact CH2-CE2 3.21Å; W895-Y941 AromaticContact CH2-CZ 3Å; W895-Y941 WeakPolarHBondContact CH2-OH 3.24Å; W895-Y941 AromaticContact CZ2-CD1 3.92Å; W895-Y941 HydrophobicContact CZ2-CD1 3.92Å; W895-Y941 HydrophobicContact CZ2-CD2 4Å; W895-Y941 AromaticContact CZ2-CE1 3.21Å; W895-Y941 HydrophobicContact CZ2-CE1 3.21Å; W895-Y941 AromaticContact CZ2-CE2 3.38Å; W895-Y941 HydrophobicContact CZ2-CE2 3.38Å; W895-Y941 HydrophobicContact CZ2-CG 4.26Å; W895-Y941 AromaticContact CZ2-CZ 2.93Å; W895-Y941 WeakPolarHBondContact CZ2-OH 3.39Å; W895-Y941 AromaticContact CZ3-CD2 3.71Å; W895-Y941 HydrophobicContact CZ3-CD2 3.71Å; W895-Y941 HydrophobicContact CZ3-CE1 4.36Å; W895-Y941 AromaticContact CZ3-CE2 2.94Å; W895-Y941 HydrophobicContact CZ3-CE2 2.94Å; W895-Y941 AromaticContact CZ3-CZ 3.35Å; W895-Y941 WeakPolarHBondContact CZ3-OH 3.42Å; W895-Y941 AromaticContact NE1-CD1 3.23Å; W895-Y941 AromaticContact NE1-CD2 3.81Å; W895-Y941 AromaticContact NE1-CE1 3.5Å; W895-Y941 AromaticContact NE1-CG 3.39Å; W895-Y941 AromaticContact NE1-CZ 3.97Å |
| 896 | T | 66.1 | Low | 70.2 | Confident | 25 Ų | 25 | 38.6 Ų | 38.6 | 15% | 0.153 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 173.1 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | A868 N894 E899 F900 | A868-T896 WeakPolarHBondContact CB-OG1 3.49Å; N894-T896 PolarHBondContact OD1-N 3.08Å; N894-T896 PolarHBondContact OD1-OG1 3.39Å; T896-E899 PolarHBondContact O-N 3.46Å; T896-F900 WeakPolarHBondContact O-CD2 3.18Å; T896-F900 PolarHBondContact O-N 2.93Å |
| 897 | A | 68.2 | Low | 70.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L854 A868 N894 W895 E899 F900 F901 | L854-A897 HydrophobicContact CD2-CB 3.88Å; A868-A897 HydrophobicContact CB-CB 3.64Å; N894-A897 HydrophobicContact CB-CB 4.31Å; N894-A897 WeakPolarHBondContact O-CB 3.48Å; N894-A897 PolarHBondContact O-N 3.44Å; N894-A897 PolarHBondContact OD1-N 2.89Å; W895-A897 PolarHBondContact O-N 3.28Å; A897-E899 PolarHBondContact O-N 3.47Å; A897-F900 PolarHBondContact O-N 3.17Å; A897-F901 HydrophobicContact CB-CD2 4.4Å; A897-F901 HydrophobicContact CB-CE2 3.77Å; A897-F901 HydrophobicContact CB-CZ 4Å; A897-F901 WeakPolarHBondContact O-CB 3.46Å; A897-F901 WeakPolarHBondContact O-CD1 3.21Å; A897-F901 WeakPolarHBondContact O-CD2 3.27Å; A897-F901 WeakPolarHBondContact O-CG 3.44Å; A897-F901 PolarHBondContact O-N 3.46Å |
| 898 | L | 76.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -38.7 | 179 | -156.9 | 125.3 | 0 | 0 | 0 | 113.3 | L884 L893 N894 W895 F901 W902 I928 I931 V945 I948 | L884-L898 HydrophobicContact CD2-CD1 4.4Å; L884-L898 HydrophobicContact CD2-CG 4.43Å; L893-L898 HydrophobicContact CD1-CD1 3.79Å; N894-L898 PolarHBondContact O-N 3.36Å; N894-L898 VanDerWaalsContact O-N 3.09Å; W895-L898 HydrophobicContact CE3-CB 3.96Å; W895-L898 HydrophobicContact CE3-CD1 4.08Å; W895-L898 HydrophobicContact CE3-CD2 3.94Å; W895-L898 HydrophobicContact CE3-CG 4.19Å; W895-L898 HydrophobicContact CZ3-CD1 3.85Å; W895-L898 HydrophobicContact CZ3-CD2 3.91Å; W895-L898 HydrophobicContact CZ3-CG 4.3Å; W895-L898 CarbonylContact O-C 3.35Å; W895-L898 PolarHBondContact O-N 3.18Å; W895-L898 VanDerWaalsContact O-N 3.15Å; L898-F901 PolarHBondContact O-N 3.4Å; L898-W902 VanDerWaalsContact CD2-CD1 3.49Å; L898-W902 PolarHBondContact O-N 2.86Å; L898-I928 HydrophobicContact CD2-CD1 4.21Å; L898-I931 HydrophobicContact CD1-CD1 3.72Å; L898-I931 HydrophobicContact CD2-CD1 4.08Å; L898-I931 HydrophobicContact CD2-CG2 4.38Å; L898-V945 HydrophobicContact CD2-CG2 4.42Å; L898-I948 HydrophobicContact CD2-CD1 4.46Å |
| 899 | E | 77.8 | Confident | 72.5 | Confident | 28 Ų | 28 | 39.2 Ų | 39.2 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.2 | -56.5 | 176.5 | -168.5 | 165.5 | 173.1 | 0 | 0 | 111.9 | W895 T896 A897 F901 W902 L903 S944 K947 | W895-E899 PolarHBondContact O-N 3.42Å; T896-E899 PolarHBondContact O-N 3.46Å; A897-E899 PolarHBondContact O-N 3.47Å; E899-F901 VanDerWaalsContact C-N 3.28Å; E899-F901 PolarHBondContact O-N 3.22Å; E899-W902 PolarHBondContact O-N 2.91Å; E899-L903 HydrophobicContact CG-CD1 3.76Å; E899-L903 HydrophobicContact CG-CG 4.25Å; E899-L903 WeakPolarHBondContact O-CB 3.31Å; E899-L903 WeakPolarHBondContact O-CG 3.31Å; E899-L903 PolarHBondContact O-N 3.06Å; E899-S944 WeakPolarHBondContact CB-OG 3.34Å; E899-S944 VanDerWaalsContact CD-CA 3.47Å; E899-S944 VanDerWaalsContact CD-CB 3.46Å; E899-S944 VanDerWaalsContact OE2-CB 3.27Å; E899-S944 WeakPolarHBondContact OE2-CB 3.34Å; E899-S944 PolarHBondContact OE2-OG 3.5Å; E899-K947 WeakPolarHBondContact OE1-CD 3.24Å; E899-K947 IonicContact OE1-NZ 2.67Å; E899-K947 PolarHBondContact OE1-NZ 3.21Å |
| 900 | F | 78 | Confident | 73.5 | Confident | 72 Ų | 72 | 43.4 Ų | 43.4 | 32% | 0.316 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.4 | -38.2 | -177.1 | -70.5 | -66.9 | 0 | 0 | 0 | 110.7 | L869 A872 T896 A897 Q904 | L869-F900 HydrophobicContact CB-CE2 4.25Å; L869-F900 HydrophobicContact CD1-CD1 3.99Å; L869-F900 HydrophobicContact CD1-CD2 4.39Å; L869-F900 HydrophobicContact CD1-CE1 3.65Å; L869-F900 HydrophobicContact CD1-CE2 4.11Å; L869-F900 HydrophobicContact CD1-CG 4.37Å; L869-F900 HydrophobicContact CD1-CZ 3.74Å; A872-F900 HydrophobicContact CB-CB 3.31Å; A872-F900 HydrophobicContact CB-CG 4.31Å; T896-F900 WeakPolarHBondContact O-CD2 3.18Å; T896-F900 PolarHBondContact O-N 2.93Å; A897-F900 PolarHBondContact O-N 3.17Å; F900-Q904 VanDerWaalsContact O-CB 3.28Å; F900-Q904 WeakPolarHBondContact O-CB 3.45Å; F900-Q904 PolarHBondContact O-N 2.83Å |
| 901 | F | 85 | Confident | 74.8 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 175 | -66.6 | -18.2 | 0 | 0 | 0 | 112.2 | M851 I855 L871 A872 L880 L884 A897 L898 E899 L905 | M851-F901 HydrophobicContact CB-CE2 4.42Å; M851-F901 HydrophobicContact CB-CZ 4.46Å; M851-F901 HydrophobicContact CG-CE2 4.3Å; M851-F901 HydrophobicContact CG-CZ 3.86Å; M851-F901 HydrophobicContact SD-CE1 4.34Å; M851-F901 HydrophobicContact SD-CZ 3.99Å; I855-F901 HydrophobicContact CD1-CD2 4.22Å; I855-F901 HydrophobicContact CD1-CE2 3.95Å; I855-F901 HydrophobicContact CG1-CE2 4.36Å; L871-F901 HydrophobicContact CB-CE1 4.26Å; L871-F901 HydrophobicContact CB-CZ 4.19Å; A872-F901 HydrophobicContact CB-CD1 3.47Å; A872-F901 VanDerWaalsContact CB-CD1 3.47Å; A872-F901 HydrophobicContact CB-CE1 3.55Å; L880-F901 HydrophobicContact CD2-CB 3.59Å; L880-F901 HydrophobicContact CD2-CD1 3.65Å; L880-F901 HydrophobicContact CD2-CG 3.71Å; L884-F901 HydrophobicContact CD1-CB 4.39Å; L884-F901 HydrophobicContact CD2-CB 4.37Å; A897-F901 HydrophobicContact CB-CD2 4.4Å; A897-F901 HydrophobicContact CB-CE2 3.77Å; A897-F901 HydrophobicContact CB-CZ 4Å; A897-F901 WeakPolarHBondContact O-CB 3.46Å; A897-F901 WeakPolarHBondContact O-CD1 3.21Å; A897-F901 WeakPolarHBondContact O-CD2 3.27Å; A897-F901 WeakPolarHBondContact O-CG 3.44Å; A897-F901 PolarHBondContact O-N 3.46Å; L898-F901 PolarHBondContact O-N 3.4Å; E899-F901 VanDerWaalsContact C-N 3.28Å; E899-F901 PolarHBondContact O-N 3.22Å; F901-L905 PolarHBondContact O-N 3.36Å |
| 902 | W | 84.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -80.9 | -39.3 | -176.9 | -91.1 | 100.8 | 0 | 0 | 0 | 115.2 | L884 L898 E899 Q904 L905 L906 C924 I928 I948 | L884-W902 HydrophobicContact CB-CZ2 4.31Å; L884-W902 HydrophobicContact CD1-CD2 4.07Å; L884-W902 HydrophobicContact CD1-CG 4.15Å; L884-W902 HydrophobicContact CD1-CZ2 4.07Å; L898-W902 VanDerWaalsContact CD2-CD1 3.49Å; L898-W902 PolarHBondContact O-N 2.86Å; E899-W902 PolarHBondContact O-N 2.91Å; W902-Q904 VanDerWaalsContact C-N 3.26Å; W902-Q904 PolarHBondContact O-N 3.37Å; W902-L905 HydrophobicContact CE3-CD2 4.05Å; W902-L905 HydrophobicContact CH2-CD2 4.23Å; W902-L905 HydrophobicContact CZ3-CD2 3.85Å; W902-L905 WeakPolarHBondContact O-CA 3.35Å; W902-L905 WeakPolarHBondContact O-CB 3.5Å; W902-L905 PolarHBondContact O-N 2.88Å; W902-L905 VanDerWaalsContact O-N 3.09Å; W902-L906 HydrophobicContact CE3-CG 4.49Å; W902-L906 WeakPolarHBondContact O-CG 3.34Å; W902-L906 PolarHBondContact O-N 3Å; W902-C924 HydrophobicContact CH2-CB 4.07Å; W902-C924 VanDerWaalsContact CH2-O 3.31Å; W902-C924 WeakPolarHBondContact CH2-O 3.46Å; W902-C924 HydrophobicContact CZ2-CB 4.18Å; W902-C924 VanDerWaalsContact CZ2-O 3.29Å; W902-C924 WeakPolarHBondContact CZ2-O 3.2Å; W902-I928 HydrophobicContact CD2-CB 4.32Å; W902-I928 HydrophobicContact CD2-CD1 4.22Å; W902-I928 HydrophobicContact CD2-CG1 4.18Å; W902-I928 HydrophobicContact CG-CD1 4.36Å; W902-I928 HydrophobicContact CH2-CB 3.64Å; W902-I928 HydrophobicContact CH2-CG1 4.42Å; W902-I928 HydrophobicContact CH2-CG2 3.46Å; W902-I928 VanDerWaalsContact CH2-CG2 3.46Å; W902-I928 HydrophobicContact CZ2-CB 3.35Å; W902-I928 HydrophobicContact CZ2-CD1 4.47Å; W902-I928 HydrophobicContact CZ2-CG1 4.12Å; W902-I928 HydrophobicContact CZ2-CG2 3.77Å; W902-I928 HydrophobicContact CZ3-CB 4.23Å; W902-I928 HydrophobicContact CZ3-CG2 3.9Å; W902-I948 HydrophobicContact CB-CB 4.3Å; W902-I948 HydrophobicContact CB-CD1 3.22Å; W902-I948 HydrophobicContact CB-CG1 3.45Å; W902-I948 VanDerWaalsContact CB-CG1 3.45Å; W902-I948 HydrophobicContact CB-CG2 3.81Å; W902-I948 HydrophobicContact CD2-CG2 3.72Å; W902-I948 HydrophobicContact CE3-CG2 3.63Å; W902-I948 HydrophobicContact CG-CD1 3.66Å; W902-I948 HydrophobicContact CG-CG1 4.16Å; W902-I948 HydrophobicContact CG-CG2 3.8Å |
| 903 | L | 82.1 | Confident | 77.3 | Confident | 57 Ų | 57 | 47.3 Ų | 47.3 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 177.1 | -73.3 | 178.7 | 0 | 0 | 0 | 110.7 | E899 L905 L906 E907 K947 I948 | E899-L903 HydrophobicContact CG-CD1 3.76Å; E899-L903 HydrophobicContact CG-CG 4.25Å; E899-L903 WeakPolarHBondContact O-CB 3.31Å; E899-L903 WeakPolarHBondContact O-CG 3.31Å; E899-L903 PolarHBondContact O-N 3.06Å; L903-L905 VanDerWaalsContact C-N 3.31Å; L903-L905 PolarHBondContact O-N 3.12Å; L903-L906 PolarHBondContact O-N 3.08Å; L903-E907 PolarHBondContact O-N 2.89Å; L903-K947 HydrophobicContact CD2-CB 4.16Å; L903-I948 HydrophobicContact CD2-CG1 4.38Å |
| 904 | Q | 83.2 | Confident | 78 | Confident | 79 Ų | 79 | 53.1 Ų | 53.1 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 171.7 | -169 | 67.1 | 16.8 | 0 | 0 | 111.3 | L880 F900 W902 F908 | L880-Q904 HydrophobicContact CD1-CB 4.27Å; L880-Q904 HydrophobicContact CD1-CG 4.17Å; F900-Q904 VanDerWaalsContact O-CB 3.28Å; F900-Q904 WeakPolarHBondContact O-CB 3.45Å; F900-Q904 PolarHBondContact O-N 2.83Å; W902-Q904 VanDerWaalsContact C-N 3.26Å; W902-Q904 PolarHBondContact O-N 3.37Å; Q904-F908 HydrophobicContact CG-CE2 3.92Å; Q904-F908 WeakPolarHBondContact O-CD2 3.45Å; Q904-F908 PolarHBondContact O-N 3.38Å |
| 905 | L | 86.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 176.9 | -176.3 | 58.5 | 0 | 0 | 0 | 113.2 | M881 L884 F901 W902 L903 F908 A909 L919 | M881-L905 HydrophobicContact CG-CD1 3.71Å; M881-L905 HydrophobicContact CG-CD2 4.06Å; M881-L905 HydrophobicContact SD-CD1 4.27Å; L884-L905 HydrophobicContact CD1-CD2 4.11Å; F901-L905 PolarHBondContact O-N 3.36Å; W902-L905 HydrophobicContact CE3-CD2 4.05Å; W902-L905 HydrophobicContact CH2-CD2 4.23Å; W902-L905 HydrophobicContact CZ3-CD2 3.85Å; W902-L905 WeakPolarHBondContact O-CA 3.35Å; W902-L905 WeakPolarHBondContact O-CB 3.5Å; W902-L905 PolarHBondContact O-N 2.88Å; W902-L905 VanDerWaalsContact O-N 3.09Å; L903-L905 VanDerWaalsContact C-N 3.31Å; L903-L905 PolarHBondContact O-N 3.12Å; L905-F908 WeakPolarHBondContact O-CB 3.12Å; L905-F908 PolarHBondContact O-N 3.42Å; L905-A909 PolarHBondContact O-N 3.48Å; L905-L919 HydrophobicContact CD1-CD1 4.01Å; L905-L919 HydrophobicContact CD2-CD1 3.62Å; L905-L919 HydrophobicContact CG-CD1 3.68Å |
| 906 | L | 83.1 | Confident | 79.2 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -77.4 | -28 | -178.3 | -72.9 | 169.3 | 0 | 0 | 0 | 113.8 | W902 L903 F908 A909 K910 L919 I948 L952 | W902-L906 HydrophobicContact CE3-CG 4.49Å; W902-L906 WeakPolarHBondContact O-CG 3.34Å; W902-L906 PolarHBondContact O-N 3Å; L903-L906 PolarHBondContact O-N 3.08Å; L906-F908 VanDerWaalsContact C-N 3.31Å; L906-A909 PolarHBondContact O-N 3.18Å; L906-K910 PolarHBondContact O-N 2.84Å; L906-L919 HydrophobicContact CD2-CD2 4.07Å; L906-I948 HydrophobicContact CD1-CB 4.11Å; L906-I948 HydrophobicContact CD1-CG2 3.69Å; L906-I948 VanDerWaalsContact CD1-O 3.26Å; L906-I948 WeakPolarHBondContact CD1-O 3.3Å; L906-L952 HydrophobicContact CD2-CB 4.15Å; L906-L952 HydrophobicContact CD2-CD1 3.94Å |
| 907 | E | 80.3 | Confident | 79.8 | Confident | 119 Ų | 119 | 53.9 Ų | 53.9 | 56% | 0.556 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 170.3 | -171.2 | 164 | -169.1 | 0 | 0 | 111 | L903 N911 | L903-E907 PolarHBondContact O-N 2.89Å; E907-N911 PolarHBondContact O-N 3.43Å; E907-N911 PolarHBondContact O-ND2 2.8Å |
| 908 | F | 84.6 | Confident | 80.3 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 33% | 0.325 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 168.4 | -66.2 | -58.7 | 0 | 0 | 0 | 111.6 | A877 Q904 L905 L906 K910 N911 D912 I915 | A877-F908 HydrophobicContact CB-CD2 3.72Å; A877-F908 HydrophobicContact CB-CE2 3.82Å; A877-F908 HydrophobicContact CB-CG 4.36Å; Q904-F908 HydrophobicContact CG-CE2 3.92Å; Q904-F908 WeakPolarHBondContact O-CD2 3.45Å; Q904-F908 PolarHBondContact O-N 3.38Å; L905-F908 WeakPolarHBondContact O-CB 3.12Å; L905-F908 PolarHBondContact O-N 3.42Å; L906-F908 VanDerWaalsContact C-N 3.31Å; F908-K910 PolarHBondContact O-N 3.42Å; F908-N911 PolarHBondContact O-N 3.01Å; F908-D912 WeakPolarHBondContact O-CB 3.49Å; F908-D912 PolarHBondContact O-N 3.22Å; F908-I915 HydrophobicContact CB-CD1 3.93Å; F908-I915 HydrophobicContact CB-CG2 4.45Å |
| 909 | A | 82.9 | Confident | 80.5 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.9 | -32.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L905 L906 N911 D912 I915 A916 | L905-A909 PolarHBondContact O-N 3.48Å; L906-A909 PolarHBondContact O-N 3.18Å; A909-N911 VanDerWaalsContact C-N 3.34Å; A909-D912 VanDerWaalsContact O-O 3.14Å; A909-I915 HydrophobicContact CB-CG2 4.19Å; A909-A916 HydrophobicContact CB-CB 4.31Å |
| 910 | K | 74.2 | Confident | 80.2 | Confident | 122 Ų | 122 | 59.7 Ų | 59.7 | 53% | 0.53 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.2 | -35.5 | 174.7 | -81.6 | 177.7 | -176.7 | 169.9 | 0 | 112.4 | L906 F908 S951 C955 | L906-K910 PolarHBondContact O-N 2.84Å; F908-K910 PolarHBondContact O-N 3.42Å; K910-S951 PolarHBondContact NZ-OG 3.4Å; K910-C955 VanDerWaalsContact CG-SG 3.57Å |
| 911 | N | 76.7 | Confident | 79.9 | Confident | 139 Ų | 139 | 61.2 Ų | 61.2 | 74% | 0.743 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -85.5 | -26.7 | -178.9 | -67.9 | -29.6 | 0 | 0 | 0 | 112.6 | E907 F908 A909 | E907-N911 PolarHBondContact O-N 3.43Å; E907-N911 PolarHBondContact O-ND2 2.8Å; F908-N911 PolarHBondContact O-N 3.01Å; A909-N911 VanDerWaalsContact C-N 3.34Å |
| 912 | D | 78.8 | Confident | 79.4 | Confident | 67 Ų | 67 | 63.1 Ų | 63.1 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | trans | -125.9 | 109.8 | -175.5 | -169.4 | -18.7 | 0 | 0 | 0 | 112.1 | F908 A909 E914 I915 A916 | F908-D912 WeakPolarHBondContact O-CB 3.49Å; F908-D912 PolarHBondContact O-N 3.22Å; A909-D912 VanDerWaalsContact O-O 3.14Å; D912-E914 PolarHBondContact O-N 3.43Å; D912-E914 WeakPolarHBondContact OD1-CB 3.04Å; D912-E914 PolarHBondContact OD1-N 3.45Å; D912-I915 HydrophobicContact CB-CB 4.16Å; D912-I915 HydrophobicContact CB-CD1 3.94Å; D912-I915 HydrophobicContact CB-CG1 4.01Å; D912-I915 PolarHBondContact O-N 3.15Å; D912-A916 PolarHBondContact O-N 2.98Å | ||
| 913 | H | 78 | Confident | 79 | Confident | 159 Ų | 159 | 68.3 Ų | 68.3 | 74% | 0.736 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.9 | -26.3 | 178.8 | -168.1 | -57.2 | 0 | 0 | 0 | 112.4 | A916 A917 | H913-A916 PolarHBondContact O-N 3.01Å; H913-A917 WeakPolarHBondContact O-CB 3.09Å; H913-A917 PolarHBondContact O-N 3.1Å |
| 914 | E | 79.6 | Confident | 78.7 | Confident | 130 Ų | 130 | 65.6 Ų | 65.6 | 61% | 0.607 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70 | -44.8 | 176.3 | -167.6 | 179.1 | 164.9 | 0 | 0 | 110.5 | D912 A916 A917 R918 | D912-E914 PolarHBondContact O-N 3.43Å; D912-E914 WeakPolarHBondContact OD1-CB 3.04Å; D912-E914 PolarHBondContact OD1-N 3.45Å; E914-A916 VanDerWaalsContact C-N 3.32Å; E914-A916 PolarHBondContact O-N 3.42Å; E914-A917 PolarHBondContact O-N 2.96Å; E914-R918 WeakPolarHBondContact O-CB 3.39Å; E914-R918 VanDerWaalsContact O-CG 3.31Å; E914-R918 WeakPolarHBondContact O-CG 3.5Å; E914-R918 PolarHBondContact O-N 2.75Å |
| 915 | I | 81.5 | Confident | 78.3 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 172 | -62 | 177.3 | 0 | 0 | 0 | 109.7 | F908 A909 D912 A917 R918 L919 | F908-I915 HydrophobicContact CB-CD1 3.93Å; F908-I915 HydrophobicContact CB-CG2 4.45Å; A909-I915 HydrophobicContact CB-CG2 4.19Å; D912-I915 HydrophobicContact CB-CB 4.16Å; D912-I915 HydrophobicContact CB-CD1 3.94Å; D912-I915 HydrophobicContact CB-CG1 4.01Å; D912-I915 PolarHBondContact O-N 3.15Å; I915-A917 PolarHBondContact O-N 2.99Å; I915-R918 PolarHBondContact O-N 2.73Å; I915-L919 VanDerWaalsContact O-CB 3.24Å; I915-L919 WeakPolarHBondContact O-CB 3.48Å; I915-L919 PolarHBondContact O-N 2.84Å |
| 916 | A | 76.2 | Confident | 77.4 | Confident | 13 Ų | 13 | 71.3 Ų | 71.3 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A909 D912 H913 E914 S920 V956 | A909-A916 HydrophobicContact CB-CB 4.31Å; D912-A916 PolarHBondContact O-N 2.98Å; H913-A916 PolarHBondContact O-N 3.01Å; E914-A916 VanDerWaalsContact C-N 3.32Å; E914-A916 PolarHBondContact O-N 3.42Å; A916-S920 PolarHBondContact O-N 3.35Å; A916-V956 HydrophobicContact CB-CG2 4.45Å |
| 917 | A | 77.2 | Confident | 77 | Confident | 32 Ų | 32 | 71.3 Ų | 71.3 | 26% | 0.264 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.6 | -23.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H913 E914 I915 S920 R921 | H913-A917 WeakPolarHBondContact O-CB 3.09Å; H913-A917 PolarHBondContact O-N 3.1Å; E914-A917 PolarHBondContact O-N 2.96Å; I915-A917 PolarHBondContact O-N 2.99Å; A917-S920 PolarHBondContact O-OG 3.17Å; A917-R921 PolarHBondContact O-NE 3.12Å; A917-R921 PolarHBondContact O-NH2 2.84Å |
| 918 | R | 79.5 | Confident | 76.7 | Confident | 102 Ų | 102 | 65.7 Ų | 65.7 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -76.3 | -47.1 | 169.3 | -76.1 | 174.9 | 61.2 | -177.7 | -2.9 | 110.7 | E914 I915 S920 R921 D922 | E914-R918 WeakPolarHBondContact O-CB 3.39Å; E914-R918 VanDerWaalsContact O-CG 3.31Å; E914-R918 WeakPolarHBondContact O-CG 3.5Å; E914-R918 PolarHBondContact O-N 2.75Å; I915-R918 PolarHBondContact O-N 2.73Å; R918-S920 VanDerWaalsContact C-N 3.28Å; R918-S920 PolarHBondContact O-N 2.68Å; R918-R921 CarbonylContact O-C 3.56Å; R918-R921 WeakPolarHBondContact O-CA 3.45Å; R918-R921 PolarHBondContact O-N 3.38Å; R918-D922 PolarHBondContact O-N 3.07Å |
| 919 | L | 79.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.3 | -42.1 | 179.5 | -156.7 | 99.3 | 0 | 0 | 0 | 111.5 | L905 L906 I915 R921 D922 T925 L952 | L905-L919 HydrophobicContact CD1-CD1 4.01Å; L905-L919 HydrophobicContact CD2-CD1 3.62Å; L905-L919 HydrophobicContact CG-CD1 3.68Å; L906-L919 HydrophobicContact CD2-CD2 4.07Å; I915-L919 VanDerWaalsContact O-CB 3.24Å; I915-L919 WeakPolarHBondContact O-CB 3.48Å; I915-L919 PolarHBondContact O-N 2.84Å; L919-R921 PolarHBondContact O-N 2.96Å; L919-D922 PolarHBondContact O-N 3.33Å; L919-T925 WeakPolarHBondContact O-CB 3.44Å; L919-T925 PolarHBondContact O-OG1 3.14Å; L919-L952 HydrophobicContact CD2-CD1 3.35Å |
| 920 | S | 72.4 | Confident | 75.6 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 34% | 0.336 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24 | 176.3 | 75.7 | 0 | 0 | 0 | 0 | 114.6 | A916 A917 R918 | A916-S920 PolarHBondContact O-N 3.35Å; A917-S920 PolarHBondContact O-OG 3.17Å; R918-S920 VanDerWaalsContact C-N 3.28Å; R918-S920 PolarHBondContact O-N 2.68Å |
| 921 | R | 70.7 | Confident | 75.4 | Confident | 103 Ų | 103 | 60.8 Ų | 60.8 | 39% | 0.389 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -11.2 | -177.2 | -68.3 | -177.4 | -78.2 | 173 | -5.5 | 113.6 | S377 A917 R918 L919 | S377-R921 VanDerWaalsContact CB-NH1 3.29Å; S377-R921 PolarHBondContact O-NH1 3.24Å; A917-R921 PolarHBondContact O-NE 3.12Å; A917-R921 PolarHBondContact O-NH2 2.84Å; R918-R921 CarbonylContact O-C 3.56Å; R918-R921 WeakPolarHBondContact O-CA 3.45Å; R918-R921 PolarHBondContact O-N 3.38Å; L919-R921 PolarHBondContact O-N 2.96Å |
| 922 | D | 75.4 | Confident | 75.2 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -78.8 | 155 | -172.4 | -157.7 | -70.1 | 0 | 0 | 0 | 112.7 | S885 R918 L919 C924 T925 | S885-D922 PolarHBondContact OG-OD1 2.83Å; R918-D922 PolarHBondContact O-N 3.07Å; L919-D922 PolarHBondContact O-N 3.33Å; D922-C924 PolarHBondContact O-N 3Å; D922-C924 PolarHBondContact OD1-N 3.14Å; D922-C924 VanDerWaalsContact OD1-N 3.08Å; D922-T925 PolarHBondContact O-N 3.4Å |
| 923 | K | 75.9 | Confident | 74.4 | Confident | 108 Ų | 108 | 55 Ų | 55 | 47% | 0.47 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.6 | -33.3 | 176.3 | -173.2 | -177.4 | 177.1 | -149.8 | 0 | 110.6 | S885 T925 R926 V927 | S885-K923 VanDerWaalsContact O-CD 3.29Å; S885-K923 WeakPolarHBondContact O-CD 3.47Å; S885-K923 WeakPolarHBondContact O-CE 3.39Å; S885-K923 PolarHBondContact O-NZ 3.25Å; K923-T925 VanDerWaalsContact C-N 3.28Å; K923-T925 PolarHBondContact O-N 2.94Å; K923-R926 WeakPolarHBondContact O-CA 3.38Å; K923-R926 WeakPolarHBondContact O-CB 3.41Å; K923-R926 PolarHBondContact O-N 3.13Å; K923-V927 WeakPolarHBondContact O-CG2 2.74Å; K923-V927 PolarHBondContact O-N 2.83Å |
| 924 | C | 75 | Confident | 73.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -33.6 | 178.6 | 70.7 | 0 | 0 | 0 | 0 | 112.8 | L884 S885 W902 D922 V927 I928 | L884-C924 HydrophobicContact CB-CB 4.12Å; S885-C924 PolarHBondContact OG-N 3.11Å; W902-C924 HydrophobicContact CH2-CB 4.07Å; W902-C924 VanDerWaalsContact CH2-O 3.31Å; W902-C924 WeakPolarHBondContact CH2-O 3.46Å; W902-C924 HydrophobicContact CZ2-CB 4.18Å; W902-C924 VanDerWaalsContact CZ2-O 3.29Å; W902-C924 WeakPolarHBondContact CZ2-O 3.2Å; D922-C924 PolarHBondContact O-N 3Å; D922-C924 PolarHBondContact OD1-N 3.14Å; D922-C924 VanDerWaalsContact OD1-N 3.08Å; C924-V927 CarbonylContact O-C 3.52Å; C924-V927 WeakPolarHBondContact O-CB 3.49Å; C924-V927 PolarHBondContact O-N 2.81Å; C924-I928 PolarHBondContact O-N 2.79Å |
| 925 | T | 75.1 | Confident | 73 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.9 | -31.9 | 174.6 | -72.7 | 0 | 0 | 0 | 0 | 112 | L919 D922 K923 V927 I928 T929 L952 I958 | L919-T925 WeakPolarHBondContact O-CB 3.44Å; L919-T925 PolarHBondContact O-OG1 3.14Å; D922-T925 PolarHBondContact O-N 3.4Å; K923-T925 VanDerWaalsContact C-N 3.28Å; K923-T925 PolarHBondContact O-N 2.94Å; T925-V927 VanDerWaalsContact C-N 3.33Å; T925-I928 WeakPolarHBondContact O-CG2 3.22Å; T925-T929 HydrophobicContact CG2-CG2 4.32Å; T925-T929 WeakPolarHBondContact O-CB 3.2Å; T925-T929 VanDerWaalsContact O-CG2 3.22Å; T925-T929 WeakPolarHBondContact O-CG2 3.44Å; T925-T929 PolarHBondContact O-N 3.27Å; T925-T929 PolarHBondContact O-OG1 3.37Å; T925-L952 HydrophobicContact CG2-CD2 4.36Å; T925-I958 HydrophobicContact CG2-CD1 3.8Å |
| 926 | R | 69.5 | Low | 71.8 | Confident | 191 Ų | 191 | 47.5 Ų | 47.5 | 72% | 0.721 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65.3 | -39.6 | 167.7 | -65.3 | -176.6 | -179.2 | 176.2 | 1.1 | 111.5 | K923 T929 H930 | K923-R926 WeakPolarHBondContact O-CA 3.38Å; K923-R926 WeakPolarHBondContact O-CB 3.41Å; K923-R926 PolarHBondContact O-N 3.13Å; R926-T929 VanDerWaalsContact CA-OG1 3.32Å; R926-T929 WeakPolarHBondContact CA-OG1 3.47Å; R926-T929 PolarHBondContact O-OG1 3.36Å; R926-H930 WeakPolarHBondContact O-CB 3.49Å; R926-H930 PolarHBondContact O-N 2.86Å |
| 927 | V | 73.3 | Confident | 70.6 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.5 | -54.1 | 175 | 173 | 0 | 0 | 0 | 0 | 110.6 | L884 V887 K923 C924 T925 T929 H930 I931 | L884-V927 WeakPolarHBondContact O-CB 3.32Å; L884-V927 VanDerWaalsContact O-CG1 3.31Å; L884-V927 WeakPolarHBondContact O-CG1 3.42Å; L884-V927 WeakPolarHBondContact O-CG2 3.34Å; V887-V927 HydrophobicContact CB-CG1 3.78Å; V887-V927 HydrophobicContact CG1-CG1 3.97Å; K923-V927 WeakPolarHBondContact O-CG2 2.74Å; K923-V927 PolarHBondContact O-N 2.83Å; C924-V927 CarbonylContact O-C 3.52Å; C924-V927 WeakPolarHBondContact O-CB 3.49Å; C924-V927 PolarHBondContact O-N 2.81Å; T925-V927 VanDerWaalsContact C-N 3.33Å; V927-T929 VanDerWaalsContact C-N 3.34Å; V927-T929 PolarHBondContact O-N 2.99Å; V927-H930 CarbonylContact O-C 3.49Å; V927-H930 WeakPolarHBondContact O-CA 3.17Å; V927-H930 VanDerWaalsContact O-CB 3.31Å; V927-H930 WeakPolarHBondContact O-CB 3.48Å; V927-H930 PolarHBondContact O-N 2.94Å; V927-I931 HydrophobicContact CG1-CD1 3.7Å; V927-I931 HydrophobicContact CG1-CG1 4.12Å; V927-I931 WeakPolarHBondContact O-CG1 3.4Å; V927-I931 PolarHBondContact O-N 3.31Å |
| 928 | I | 74 | Confident | 69.5 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -33.9 | -179.6 | -166.5 | 60.9 | 0 | 0 | 0 | 113.2 | L898 W902 C924 T925 H930 I931 F932 V945 I948 M949 L952 | L898-I928 HydrophobicContact CD2-CD1 4.21Å; W902-I928 HydrophobicContact CD2-CB 4.32Å; W902-I928 HydrophobicContact CD2-CD1 4.22Å; W902-I928 HydrophobicContact CD2-CG1 4.18Å; W902-I928 HydrophobicContact CG-CD1 4.36Å; W902-I928 HydrophobicContact CH2-CB 3.64Å; W902-I928 HydrophobicContact CH2-CG1 4.42Å; W902-I928 HydrophobicContact CH2-CG2 3.46Å; W902-I928 VanDerWaalsContact CH2-CG2 3.46Å; W902-I928 HydrophobicContact CZ2-CB 3.35Å; W902-I928 HydrophobicContact CZ2-CD1 4.47Å; W902-I928 HydrophobicContact CZ2-CG1 4.12Å; W902-I928 HydrophobicContact CZ2-CG2 3.77Å; W902-I928 HydrophobicContact CZ3-CB 4.23Å; W902-I928 HydrophobicContact CZ3-CG2 3.9Å; C924-I928 PolarHBondContact O-N 2.79Å; T925-I928 WeakPolarHBondContact O-CG2 3.22Å; I928-H930 PolarHBondContact O-N 2.7Å; I928-I931 HydrophobicContact CD1-CB 4.14Å; I928-I931 HydrophobicContact CD1-CD1 4.36Å; I928-I931 HydrophobicContact CD1-CG2 4.07Å; I928-I931 PolarHBondContact O-N 3.27Å; I928-F932 WeakPolarHBondContact O-CA 3.19Å; I928-F932 WeakPolarHBondContact O-CB 3.47Å; I928-F932 PolarHBondContact O-N 2.94Å; I928-V945 HydrophobicContact CD1-CG1 4.26Å; I928-V945 HydrophobicContact CD1-CG2 4.46Å; I928-I948 HydrophobicContact CD1-CD1 4.4Å; I928-I948 HydrophobicContact CD1-CG2 3.94Å; I928-I948 HydrophobicContact CG1-CG2 3.69Å; I928-M949 HydrophobicContact CG1-SD 4.04Å; I928-M949 HydrophobicContact CG2-SD 4.21Å; I928-L952 HydrophobicContact CG2-CD2 3.73Å |
| 929 | T | 73 | Confident | 68.4 | Low | 22 Ų | 22 | 51.4 Ų | 51.4 | 14% | 0.135 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -37.6 | 173.3 | 48.9 | 0 | 0 | 0 | 0 | 109.6 | T925 R926 V927 W933 I958 L960 | T925-T929 HydrophobicContact CG2-CG2 4.32Å; T925-T929 WeakPolarHBondContact O-CB 3.2Å; T925-T929 VanDerWaalsContact O-CG2 3.22Å; T925-T929 WeakPolarHBondContact O-CG2 3.44Å; T925-T929 PolarHBondContact O-N 3.27Å; T925-T929 PolarHBondContact O-OG1 3.37Å; R926-T929 VanDerWaalsContact CA-OG1 3.32Å; R926-T929 WeakPolarHBondContact CA-OG1 3.47Å; R926-T929 PolarHBondContact O-OG1 3.36Å; V927-T929 VanDerWaalsContact C-N 3.34Å; V927-T929 PolarHBondContact O-N 2.99Å; T929-W933 PolarHBondContact O-N 3.11Å; T929-W933 PolarHBondContact O-NE1 2.79Å; T929-I958 HydrophobicContact CG2-CD1 4.24Å; T929-I958 HydrophobicContact CG2-CG2 3.77Å; T929-L960 HydrophobicContact CG2-CD2 3.96Å |
| 930 | H | 71.5 | Confident | 67.2 | Low | 75 Ų | 75 | 54.8 Ų | 54.8 | 35% | 0.347 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68 | -45.2 | 172.1 | -164.6 | -60 | 0 | 0 | 0 | 113.7 | N889 R926 V927 I928 F932 W933 E934 | N889-H930 WeakPolarHBondContact CB-CE1 3.22Å; N889-H930 WeakPolarHBondContact CB-ND1 3.39Å; N889-H930 WeakPolarHBondContact ND2-CB 3.37Å; N889-H930 PolarHBondContact ND2-CD2 3.29Å; N889-H930 PolarHBondContact ND2-CE1 3.43Å; N889-H930 PolarHBondContact ND2-ND1 3.27Å; N889-H930 PolarHBondContact ND2-NE2 2.95Å; N889-H930 PolarHBondContact OD1-ND1 2.97Å; R926-H930 WeakPolarHBondContact O-CB 3.49Å; R926-H930 PolarHBondContact O-N 2.86Å; V927-H930 CarbonylContact O-C 3.49Å; V927-H930 WeakPolarHBondContact O-CA 3.17Å; V927-H930 VanDerWaalsContact O-CB 3.31Å; V927-H930 WeakPolarHBondContact O-CB 3.48Å; V927-H930 PolarHBondContact O-N 2.94Å; I928-H930 PolarHBondContact O-N 2.7Å; H930-F932 VanDerWaalsContact C-N 3.29Å; H930-F932 PolarHBondContact O-N 3.28Å; H930-W933 CarbonylContact O-C 3.54Å; H930-W933 WeakPolarHBondContact O-CA 3.46Å; H930-W933 WeakPolarHBondContact O-CB 3.48Å; H930-W933 PolarHBondContact O-N 2.83Å; H930-E934 IonicContact CE1-OE1 3.12Å; H930-E934 PolarHBondContact CE1-OE1 3.02Å; H930-E934 IonicContact CE1-OE2 3.87Å; H930-E934 PolarHBondContact CE1-OE2 3.46Å; H930-E934 IonicContact ND1-OE1 3.38Å; H930-E934 IonicContact ND1-OE2 3.99Å; H930-E934 PolarHBondContact ND1-OE2 3.46Å; H930-E934 PolarHBondContact O-N 3.39Å |
| 931 | I | 69.6 | Low | 66.3 | Low | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 172.7 | -69.6 | 173.7 | 0 | 0 | 0 | 110.3 | V887 N889 L893 W895 L898 V927 I928 W933 E934 L935 Y941 V945 | V887-I931 HydrophobicContact CG1-CD1 4.17Å; N889-I931 WeakPolarHBondContact OD1-CG1 3.07Å; L893-I931 HydrophobicContact CD1-CD1 3.95Å; L893-I931 HydrophobicContact CD1-CG1 4.23Å; W895-I931 HydrophobicContact CH2-CG2 3.72Å; W895-I931 HydrophobicContact CZ3-CD1 4.35Å; W895-I931 HydrophobicContact CZ3-CG2 3.44Å; W895-I931 VanDerWaalsContact CZ3-CG2 3.44Å; L898-I931 HydrophobicContact CD1-CD1 3.72Å; L898-I931 HydrophobicContact CD2-CD1 4.08Å; L898-I931 HydrophobicContact CD2-CG2 4.38Å; V927-I931 HydrophobicContact CG1-CD1 3.7Å; V927-I931 HydrophobicContact CG1-CG1 4.12Å; V927-I931 WeakPolarHBondContact O-CG1 3.4Å; V927-I931 PolarHBondContact O-N 3.31Å; I928-I931 HydrophobicContact CD1-CB 4.14Å; I928-I931 HydrophobicContact CD1-CD1 4.36Å; I928-I931 HydrophobicContact CD1-CG2 4.07Å; I928-I931 PolarHBondContact O-N 3.27Å; I931-W933 PolarHBondContact O-N 2.94Å; I931-E934 CarbonylContact O-C 3.53Å; I931-E934 WeakPolarHBondContact O-CA 3.27Å; I931-E934 PolarHBondContact O-N 2.92Å; I931-L935 PolarHBondContact O-N 2.83Å; I931-L935 VanDerWaalsContact O-N 3.14Å; I931-Y941 HydrophobicContact CG2-CE2 3.98Å; I931-Y941 VanDerWaalsContact CG2-OH 3.32Å; I931-Y941 WeakPolarHBondContact CG2-OH 3.39Å; I931-Y941 PolarHBondContact O-OH 3.35Å; I931-V945 HydrophobicContact CG2-CG1 4.42Å; I931-V945 HydrophobicContact CG2-CG2 3.85Å |
| 932 | F | 73 | Confident | 65.9 | Low | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -35.9 | 173.4 | 171 | -98.7 | 0 | 0 | 0 | 111.1 | I928 H930 E934 L935 V945 F946 M949 C965 L968 L969 L982 L986 | I928-F932 WeakPolarHBondContact O-CA 3.19Å; I928-F932 WeakPolarHBondContact O-CB 3.47Å; I928-F932 PolarHBondContact O-N 2.94Å; H930-F932 VanDerWaalsContact C-N 3.29Å; H930-F932 PolarHBondContact O-N 3.28Å; F932-E934 VanDerWaalsContact C-N 3.29Å; F932-L935 HydrophobicContact CD2-CD1 4.11Å; F932-V945 HydrophobicContact CB-CG1 3.89Å; F932-V945 HydrophobicContact CD2-CG1 4.05Å; F932-V945 HydrophobicContact CG-CG1 4.49Å; F932-F946 HydrophobicContact CD2-CD1 4.39Å; F932-F946 HydrophobicContact CD2-CE1 4.25Å; F932-F946 AromaticContact CE2-CD1 3.93Å; F932-F946 HydrophobicContact CE2-CD1 3.93Å; F932-F946 AromaticContact CE2-CE1 3.75Å; F932-F946 HydrophobicContact CE2-CE1 3.75Å; F932-M949 HydrophobicContact CB-CG 3.63Å; F932-M949 HydrophobicContact CB-SD 3.94Å; F932-M949 HydrophobicContact CD2-CB 3.92Å; F932-M949 HydrophobicContact CD2-CG 3.41Å; F932-M949 VanDerWaalsContact CD2-CG 3.41Å; F932-M949 HydrophobicContact CE2-CB 4.22Å; F932-M949 HydrophobicContact CE2-CG 4.18Å; F932-M949 HydrophobicContact CG-CB 4.46Å; F932-M949 HydrophobicContact CG-CG 3.58Å; F932-M949 HydrophobicContact CG-SD 4.16Å; F932-C965 HydrophobicContact CE1-CB 4.11Å; F932-C965 WeakPolarHBondContact CE1-SG 3.43Å; F932-C965 HydrophobicContact CZ-CB 4.14Å; F932-L968 HydrophobicContact CD1-CD2 4.05Å; F932-L968 HydrophobicContact CD2-CD2 3.59Å; F932-L968 HydrophobicContact CE1-CD2 3.67Å; F932-L968 HydrophobicContact CE2-CD2 3.22Å; F932-L968 HydrophobicContact CG-CD2 4.03Å; F932-L968 HydrophobicContact CZ-CD2 3.28Å; F932-L968 WeakPolarHBondContact O-CD1 3.32Å; F932-L968 WeakPolarHBondContact O-CD2 3.43Å; F932-L968 WeakPolarHBondContact O-CG 3.45Å; F932-L969 HydrophobicContact CZ-CG 4.44Å; F932-L982 HydrophobicContact CD2-CD2 4.16Å; F932-L982 HydrophobicContact CE2-CD2 3.29Å; F932-L982 HydrophobicContact CZ-CD2 3.82Å; F932-L986 HydrophobicContact CZ-CD1 4.48Å |
| 933 | W | 62.6 | Low | 65.7 | Low | 83 Ų | 83 | 47.4 Ų | 47.4 | 31% | 0.314 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.5 | -26 | 171.2 | -68.6 | 125.9 | 0 | 0 | 0 | 113.5 | T929 H930 I931 L960 N961 D964 C965 L968 | T929-W933 PolarHBondContact O-N 3.11Å; T929-W933 PolarHBondContact O-NE1 2.79Å; H930-W933 CarbonylContact O-C 3.54Å; H930-W933 WeakPolarHBondContact O-CA 3.46Å; H930-W933 WeakPolarHBondContact O-CB 3.48Å; H930-W933 PolarHBondContact O-N 2.83Å; I931-W933 PolarHBondContact O-N 2.94Å; W933-L960 HydrophobicContact CZ2-CB 4.06Å; W933-L960 HydrophobicContact CZ2-CD2 3.73Å; W933-L960 HydrophobicContact CZ2-CG 4.49Å; W933-N961 HydrophobicContact CH2-CB 4.46Å; W933-N961 WeakPolarHBondContact CH2-O 3.33Å; W933-N961 HydrophobicContact CZ2-CB 4.45Å; W933-D964 HydrophobicContact CE3-CB 3.94Å; W933-D964 HydrophobicContact CH2-CB 3.61Å; W933-D964 HydrophobicContact CZ3-CB 3.21Å; W933-C965 VanDerWaalsContact CH2-CA 3.4Å; W933-C965 HydrophobicContact CH2-CB 3.77Å; W933-C965 WeakPolarHBondContact CH2-SG 3.4Å; W933-C965 VanDerWaalsContact CZ2-SG 3.57Å; W933-C965 HydrophobicContact CZ3-CB 4.21Å; W933-L968 WeakPolarHBondContact O-CD1 3.46Å |
| 934 | E | 61.1 | Low | 65.5 | Low | 99 Ų | 99 | 42.3 Ų | 42.3 | 46% | 0.463 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 40 | -176.8 | -66.7 | -164.8 | 158.9 | 0 | 0 | 113.6 | N889 H930 I931 F932 S936 Y941 | N889-E934 WeakPolarHBondContact CB-OE2 3.31Å; H930-E934 IonicContact CE1-OE1 3.12Å; H930-E934 PolarHBondContact CE1-OE1 3.02Å; H930-E934 IonicContact CE1-OE2 3.87Å; H930-E934 PolarHBondContact CE1-OE2 3.46Å; H930-E934 IonicContact ND1-OE1 3.38Å; H930-E934 IonicContact ND1-OE2 3.99Å; H930-E934 PolarHBondContact ND1-OE2 3.46Å; H930-E934 PolarHBondContact O-N 3.39Å; I931-E934 CarbonylContact O-C 3.53Å; I931-E934 WeakPolarHBondContact O-CA 3.27Å; I931-E934 PolarHBondContact O-N 2.92Å; F932-E934 VanDerWaalsContact C-N 3.29Å; E934-S936 PolarHBondContact O-N 2.62Å; E934-Y941 PolarHBondContact O-OH 3.45Å; E934-Y941 VanDerWaalsContact O-OH 3.09Å |
| 935 | L | 65.8 | Low | 65.6 | Low | 9 Ų | 9 | 42.3 Ų | 42.3 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | trans | -67.7 | 131.7 | 172.8 | -67.8 | 171.5 | 0 | 0 | 0 | 111.8 | I931 F932 Y941 C942 V945 F946 L968 Y972 | I931-L935 PolarHBondContact O-N 2.83Å; I931-L935 VanDerWaalsContact O-N 3.14Å; F932-L935 HydrophobicContact CD2-CD1 4.11Å; L935-Y941 HydrophobicContact CB-CE1 4.44Å; L935-Y941 HydrophobicContact CD2-CD1 4.34Å; L935-Y941 HydrophobicContact CD2-CD2 4.08Å; L935-Y941 HydrophobicContact CD2-CE1 3.79Å; L935-Y941 HydrophobicContact CD2-CE2 3.41Å; L935-Y941 VanDerWaalsContact CD2-CE2 3.41Å; L935-Y941 HydrophobicContact CD2-CG 4.5Å; L935-Y941 WeakPolarHBondContact CD2-OH 3.38Å; L935-C942 HydrophobicContact CD2-CB 4.29Å; L935-V945 HydrophobicContact CD1-CB 4.38Å; L935-V945 HydrophobicContact CD1-CG1 4.05Å; L935-V945 HydrophobicContact CD2-CB 3.44Å; L935-V945 VanDerWaalsContact CD2-CB 3.44Å; L935-V945 HydrophobicContact CD2-CG1 3.57Å; L935-V945 HydrophobicContact CD2-CG2 3.59Å; L935-V945 HydrophobicContact CG-CB 4.44Å; L935-V945 HydrophobicContact CG-CG1 4.13Å; L935-F946 HydrophobicContact CD1-CD1 4.23Å; L935-F946 HydrophobicContact CD1-CE1 3.35Å; L935-F946 HydrophobicContact CD1-CE2 4.02Å; L935-F946 HydrophobicContact CD1-CZ 3.2Å; L935-L968 HydrophobicContact CB-CD1 3.81Å; L935-L968 HydrophobicContact CB-CG 4.31Å; L935-L968 HydrophobicContact CD1-CD1 4.12Å; L935-L968 HydrophobicContact CD1-CD2 3.58Å; L935-L968 HydrophobicContact CD1-CG 3.87Å; L935-L968 HydrophobicContact CG-CD1 4.13Å; L935-L968 HydrophobicContact CG-CD2 4.41Å; L935-L968 HydrophobicContact CG-CG 4.43Å; L935-Y972 VanDerWaalsContact C-OH 3.27Å; L935-Y972 HydrophobicContact CB-CE2 3.81Å; L935-Y972 WeakPolarHBondContact CB-OH 3.5Å; L935-Y972 HydrophobicContact CD1-CE2 4.2Å; L935-Y972 PolarHBondContact O-OH 3.16Å | ||
| 936 | S | 56.8 | Low | 65.8 | Low | 52 Ų | 52 | 41.9 Ų | 41.9 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | trans | -104.5 | 145.9 | 174.8 | 69.6 | 0 | 0 | 0 | 0 | 109.2 | E934 E938 Y941 C942 Y972 | E934-S936 PolarHBondContact O-N 2.62Å; S936-E938 PolarHBondContact O-N 2.83Å; S936-Y941 WeakPolarHBondContact O-CD1 3.41Å; S936-Y941 VanDerWaalsContact OG-CD1 3.22Å; S936-Y941 WeakPolarHBondContact OG-CD1 3.43Å; S936-Y941 VanDerWaalsContact OG-CE1 3.27Å; S936-Y941 WeakPolarHBondContact OG-CE1 3.38Å; S936-C942 PolarHBondContact O-SG 3.46Å; S936-Y972 PolarHBondContact N-OH 2.85Å; S936-Y972 PolarHBondContact O-OH 3.34Å | ||
| 937 | D | 52.3 | Low | 66.3 | Low | 77 Ų | 77 | 35.2 Ų | 35.2 | 41% | 0.412 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -66.9 | 15.8 | -163 | -74.7 | -54.2 | 0 | 0 | 0 | 116.9 | P939 R971 Y972 | D937-P939 VanDerWaalsContact O-CD 3.32Å; D937-P939 WeakPolarHBondContact O-CD 3.32Å; D937-R971 WeakPolarHBondContact OD1-CD 3.33Å; D937-R971 IonicContact OD1-NE 3.43Å; D937-R971 IonicContact OD2-CZ 3.46Å; D937-R971 IonicContact OD2-NE 2.69Å; D937-R971 IonicContact OD2-NH1 3.29Å; D937-R971 IonicContact OD2-NH2 3.5Å; D937-Y972 WeakPolarHBondContact CA-OH 3.36Å; D937-Y972 PolarHBondContact N-OH 3.49Å |
| 938 | E | 54 | Low | 66.6 | Low | 86 Ų | 86 | 34.9 Ų | 34.9 | 40% | 0.402 | 18% | 0.183 | S | C | . | . | trans | -69.9 | 112.7 | 171.3 | -72.1 | -170.2 | 167.5 | 0 | 0 | 110.4 | S936 S940 Y941 C942 | S936-E938 PolarHBondContact O-N 2.83Å; E938-S940 VanDerWaalsContact C-N 3.32Å; E938-S940 PolarHBondContact O-N 3.17Å; E938-Y941 VanDerWaalsContact O-CB 3.3Å; E938-Y941 WeakPolarHBondContact O-CB 3.47Å; E938-Y941 PolarHBondContact O-N 2.86Å; E938-Y941 VanDerWaalsContact O-N 3.07Å; E938-C942 PolarHBondContact O-N 2.97Å; E938-C942 VanDerWaalsContact O-N 3.16Å; E938-C942 PolarHBondContact O-SG 3.38Å | ||
| 939 | P | 55.3 | Low | 67 | Low | 66 Ų | 66 | 34.9 Ų | 34.9 | 43% | 0.429 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.1 | -34 | -172 | 21.8 | -30.8 | 0 | 0 | 0 | 113.3 | D937 Y941 C942 D943 | D937-P939 VanDerWaalsContact O-CD 3.32Å; D937-P939 WeakPolarHBondContact O-CD 3.32Å; P939-Y941 VanDerWaalsContact C-N 3.26Å; P939-Y941 PolarHBondContact O-N 3.21Å; P939-C942 PolarHBondContact O-N 3.32Å; P939-D943 WeakPolarHBondContact O-CB 3.4Å; P939-D943 PolarHBondContact O-N 2.91Å; P939-D943 VanDerWaalsContact O-N 3.13Å |
| 940 | S | 54.4 | Low | 67.4 | Low | 71 Ų | 71 | 35.1 Ų | 35.1 | 50% | 0.497 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.9 | -20.9 | 176.2 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | E938 S944 | E938-S940 VanDerWaalsContact C-N 3.32Å; E938-S940 PolarHBondContact O-N 3.17Å; S940-S944 PolarHBondContact O-OG 2.89Å |
| 941 | Y | 54.4 | Low | 67.8 | Low | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -78.1 | -45.7 | 171.4 | 161.9 | -153.4 | 0 | 0 | 0 | 111 | W895 I931 E934 L935 S936 E938 P939 S944 V945 | W895-Y941 VanDerWaalsContact CB-CA 3.5Å; W895-Y941 VanDerWaalsContact CB-CB 3.41Å; W895-Y941 HydrophobicContact CB-CD2 3.5Å; W895-Y941 VanDerWaalsContact CB-CD2 3.5Å; W895-Y941 HydrophobicContact CB-CE2 4.5Å; W895-Y941 HydrophobicContact CB-CG 3.68Å; W895-Y941 AromaticContact CD1-CD1 3.55Å; W895-Y941 AromaticContact CD1-CD2 3.68Å; W895-Y941 AromaticContact CD1-CG 3.22Å; W895-Y941 AromaticContact CD2-CD1 3.78Å; W895-Y941 HydrophobicContact CD2-CD1 3.78Å; W895-Y941 AromaticContact CD2-CD2 2.84Å; W895-Y941 HydrophobicContact CD2-CD2 2.84Å; W895-Y941 AromaticContact CD2-CE1 3.86Å; W895-Y941 HydrophobicContact CD2-CE1 3.86Å; W895-Y941 AromaticContact CD2-CE2 3.02Å; W895-Y941 HydrophobicContact CD2-CE2 3.02Å; W895-Y941 AromaticContact CD2-CG 3.29Å; W895-Y941 HydrophobicContact CD2-CG 3.29Å; W895-Y941 AromaticContact CD2-CZ 3.56Å; W895-Y941 AromaticContact CE2-CD1 3.38Å; W895-Y941 AromaticContact CE2-CD2 3.36Å; W895-Y941 AromaticContact CE2-CE1 3.21Å; W895-Y941 AromaticContact CE2-CE2 3.26Å; W895-Y941 AromaticContact CE2-CG 3.45Å; W895-Y941 VanDerWaalsContact CE2-CG 3.45Å; W895-Y941 AromaticContact CE2-CZ 3.19Å; W895-Y941 AromaticContact CE3-CD2 3.07Å; W895-Y941 HydrophobicContact CE3-CD2 3.07Å; W895-Y941 HydrophobicContact CE3-CE1 4.4Å; W895-Y941 AromaticContact CE3-CE2 2.86Å; W895-Y941 HydrophobicContact CE3-CE2 2.86Å; W895-Y941 HydrophobicContact CE3-CG 4Å; W895-Y941 AromaticContact CE3-CZ 3.63Å; W895-Y941 AromaticContact CG-CD1 3.83Å; W895-Y941 HydrophobicContact CG-CD1 3.83Å; W895-Y941 AromaticContact CG-CD2 3.05Å; W895-Y941 HydrophobicContact CG-CD2 3.05Å; W895-Y941 HydrophobicContact CG-CE1 4.4Å; W895-Y941 AromaticContact CG-CE2 3.8Å; W895-Y941 HydrophobicContact CG-CE2 3.8Å; W895-Y941 AromaticContact CG-CG 3.09Å; W895-Y941 HydrophobicContact CG-CG 3.09Å; W895-Y941 HydrophobicContact CH2-CD2 4.13Å; W895-Y941 AromaticContact CH2-CE1 3.81Å; W895-Y941 HydrophobicContact CH2-CE1 3.81Å; W895-Y941 AromaticContact CH2-CE2 3.21Å; W895-Y941 HydrophobicContact CH2-CE2 3.21Å; W895-Y941 AromaticContact CH2-CZ 3Å; W895-Y941 WeakPolarHBondContact CH2-OH 3.24Å; W895-Y941 AromaticContact CZ2-CD1 3.92Å; W895-Y941 HydrophobicContact CZ2-CD1 3.92Å; W895-Y941 HydrophobicContact CZ2-CD2 4Å; W895-Y941 AromaticContact CZ2-CE1 3.21Å; W895-Y941 HydrophobicContact CZ2-CE1 3.21Å; W895-Y941 AromaticContact CZ2-CE2 3.38Å; W895-Y941 HydrophobicContact CZ2-CE2 3.38Å; W895-Y941 HydrophobicContact CZ2-CG 4.26Å; W895-Y941 AromaticContact CZ2-CZ 2.93Å; W895-Y941 WeakPolarHBondContact CZ2-OH 3.39Å; W895-Y941 AromaticContact CZ3-CD2 3.71Å; W895-Y941 HydrophobicContact CZ3-CD2 3.71Å; W895-Y941 HydrophobicContact CZ3-CE1 4.36Å; W895-Y941 AromaticContact CZ3-CE2 2.94Å; W895-Y941 HydrophobicContact CZ3-CE2 2.94Å; W895-Y941 AromaticContact CZ3-CZ 3.35Å; W895-Y941 WeakPolarHBondContact CZ3-OH 3.42Å; W895-Y941 AromaticContact NE1-CD1 3.23Å; W895-Y941 AromaticContact NE1-CD2 3.81Å; W895-Y941 AromaticContact NE1-CE1 3.5Å; W895-Y941 AromaticContact NE1-CG 3.39Å; W895-Y941 AromaticContact NE1-CZ 3.97Å; I931-Y941 HydrophobicContact CG2-CE2 3.98Å; I931-Y941 VanDerWaalsContact CG2-OH 3.32Å; I931-Y941 WeakPolarHBondContact CG2-OH 3.39Å; I931-Y941 PolarHBondContact O-OH 3.35Å; E934-Y941 PolarHBondContact O-OH 3.45Å; E934-Y941 VanDerWaalsContact O-OH 3.09Å; L935-Y941 HydrophobicContact CB-CE1 4.44Å; L935-Y941 HydrophobicContact CD2-CD1 4.34Å; L935-Y941 HydrophobicContact CD2-CD2 4.08Å; L935-Y941 HydrophobicContact CD2-CE1 3.79Å; L935-Y941 HydrophobicContact CD2-CE2 3.41Å; L935-Y941 VanDerWaalsContact CD2-CE2 3.41Å; L935-Y941 HydrophobicContact CD2-CG 4.5Å; L935-Y941 WeakPolarHBondContact CD2-OH 3.38Å; S936-Y941 WeakPolarHBondContact O-CD1 3.41Å; S936-Y941 VanDerWaalsContact OG-CD1 3.22Å; S936-Y941 WeakPolarHBondContact OG-CD1 3.43Å; S936-Y941 VanDerWaalsContact OG-CE1 3.27Å; S936-Y941 WeakPolarHBondContact OG-CE1 3.38Å; E938-Y941 VanDerWaalsContact O-CB 3.3Å; E938-Y941 WeakPolarHBondContact O-CB 3.47Å; E938-Y941 PolarHBondContact O-N 2.86Å; E938-Y941 VanDerWaalsContact O-N 3.07Å; P939-Y941 VanDerWaalsContact C-N 3.26Å; P939-Y941 PolarHBondContact O-N 3.21Å; Y941-S944 WeakPolarHBondContact O-CB 3.49Å; Y941-S944 PolarHBondContact O-N 3Å; Y941-S944 PolarHBondContact O-OG 2.9Å; Y941-V945 HydrophobicContact CD2-CG2 3.72Å; Y941-V945 HydrophobicContact CE2-CB 4.39Å; Y941-V945 HydrophobicContact CE2-CG2 3.27Å; Y941-V945 PolarHBondContact O-N 3.32Å; Y941-V945 VanDerWaalsContact O-N 3.16Å |
| 942 | C | 61.2 | Low | 68.4 | Low | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -83.5 | -32.5 | -162.6 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | L935 S936 E938 P939 S944 V945 F946 Y972 | L935-C942 HydrophobicContact CD2-CB 4.29Å; S936-C942 PolarHBondContact O-SG 3.46Å; E938-C942 PolarHBondContact O-N 2.97Å; E938-C942 VanDerWaalsContact O-N 3.16Å; E938-C942 PolarHBondContact O-SG 3.38Å; P939-C942 PolarHBondContact O-N 3.32Å; C942-S944 PolarHBondContact O-N 3.28Å; C942-V945 PolarHBondContact O-N 3.22Å; C942-V945 VanDerWaalsContact O-N 3.12Å; C942-F946 VanDerWaalsContact C-CD2 3.47Å; C942-F946 HydrophobicContact CB-CD2 4.25Å; C942-F946 HydrophobicContact CB-CE2 3.61Å; C942-F946 HydrophobicContact CB-CZ 4.38Å; C942-F946 WeakPolarHBondContact O-CD2 3.45Å; C942-F946 WeakPolarHBondContact O-CE2 3.46Å; C942-F946 WeakPolarHBondContact O-CG 3.35Å; C942-F946 PolarHBondContact O-N 3.08Å; C942-Y972 HydrophobicContact CB-CD1 3.15Å; C942-Y972 HydrophobicContact CB-CD2 4.21Å; C942-Y972 HydrophobicContact CB-CE1 3.05Å; C942-Y972 HydrophobicContact CB-CE2 4.1Å; C942-Y972 HydrophobicContact CB-CG 3.74Å; C942-Y972 WeakPolarHBondContact SG-CE1 3.5Å; C942-Y972 PolarHBondContact SG-OH 3.35Å |
| 943 | D | 72.4 | Confident | 68.6 | Low | 39 Ų | 39 | 33.7 Ų | 33.7 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -52.5 | -44.1 | 166.3 | -84.9 | 7.3 | 0 | 0 | 0 | 112 | P939 F946 K947 S976 | P939-D943 WeakPolarHBondContact O-CB 3.4Å; P939-D943 PolarHBondContact O-N 2.91Å; P939-D943 VanDerWaalsContact O-N 3.13Å; D943-F946 PolarHBondContact O-N 2.91Å; D943-K947 WeakPolarHBondContact O-CB 3.35Å; D943-K947 WeakPolarHBondContact O-CD 3.48Å; D943-K947 WeakPolarHBondContact O-CG 3.16Å; D943-K947 PolarHBondContact O-N 2.94Å; D943-S976 WeakPolarHBondContact OD1-CB 3.4Å; D943-S976 PolarHBondContact OD1-OG 3.18Å |
| 944 | S | 71.1 | Confident | 69.2 | Low | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.2 | -57.5 | 173.8 | -40.4 | 0 | 0 | 0 | 0 | 110.5 | E899 S940 Y941 C942 F946 K947 I948 | E899-S944 WeakPolarHBondContact CB-OG 3.34Å; E899-S944 VanDerWaalsContact CD-CA 3.47Å; E899-S944 VanDerWaalsContact CD-CB 3.46Å; E899-S944 VanDerWaalsContact OE2-CB 3.27Å; E899-S944 WeakPolarHBondContact OE2-CB 3.34Å; E899-S944 PolarHBondContact OE2-OG 3.5Å; S940-S944 PolarHBondContact O-OG 2.89Å; Y941-S944 WeakPolarHBondContact O-CB 3.49Å; Y941-S944 PolarHBondContact O-N 3Å; Y941-S944 PolarHBondContact O-OG 2.9Å; C942-S944 PolarHBondContact O-N 3.28Å; S944-F946 PolarHBondContact O-N 3.4Å; S944-K947 WeakPolarHBondContact O-CB 3.49Å; S944-K947 PolarHBondContact O-N 3.41Å; S944-I948 WeakPolarHBondContact O-CB 3.46Å; S944-I948 VanDerWaalsContact O-CD1 3.23Å; S944-I948 WeakPolarHBondContact O-CD1 3.37Å; S944-I948 WeakPolarHBondContact O-CG1 3.47Å; S944-I948 PolarHBondContact O-N 3.31Å |
| 945 | V | 76.8 | Confident | 69.7 | Low | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.2 | -34.9 | -175.1 | 177.2 | 0 | 0 | 0 | 0 | 112.6 | L898 I928 I931 F932 L935 Y941 C942 I948 M949 | L898-V945 HydrophobicContact CD2-CG2 4.42Å; I928-V945 HydrophobicContact CD1-CG1 4.26Å; I928-V945 HydrophobicContact CD1-CG2 4.46Å; I931-V945 HydrophobicContact CG2-CG1 4.42Å; I931-V945 HydrophobicContact CG2-CG2 3.85Å; F932-V945 HydrophobicContact CB-CG1 3.89Å; F932-V945 HydrophobicContact CD2-CG1 4.05Å; F932-V945 HydrophobicContact CG-CG1 4.49Å; L935-V945 HydrophobicContact CD1-CB 4.38Å; L935-V945 HydrophobicContact CD1-CG1 4.05Å; L935-V945 HydrophobicContact CD2-CB 3.44Å; L935-V945 VanDerWaalsContact CD2-CB 3.44Å; L935-V945 HydrophobicContact CD2-CG1 3.57Å; L935-V945 HydrophobicContact CD2-CG2 3.59Å; L935-V945 HydrophobicContact CG-CB 4.44Å; L935-V945 HydrophobicContact CG-CG1 4.13Å; Y941-V945 HydrophobicContact CD2-CG2 3.72Å; Y941-V945 HydrophobicContact CE2-CB 4.39Å; Y941-V945 HydrophobicContact CE2-CG2 3.27Å; Y941-V945 PolarHBondContact O-N 3.32Å; Y941-V945 VanDerWaalsContact O-N 3.16Å; C942-V945 PolarHBondContact O-N 3.22Å; C942-V945 VanDerWaalsContact O-N 3.12Å; V945-I948 PolarHBondContact O-N 3.46Å; V945-M949 HydrophobicContact CG1-CG 4.16Å; V945-M949 VanDerWaalsContact O-CB 3.27Å; V945-M949 WeakPolarHBondContact O-CB 3.38Å; V945-M949 WeakPolarHBondContact O-CG 3.39Å; V945-M949 PolarHBondContact O-N 3.17Å |
| 946 | F | 80.2 | Confident | 70.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.2 | -38.5 | 174.6 | -64.3 | -50.3 | 0 | 0 | 0 | 113 | F932 L935 C942 D943 S944 I948 M949 N950 L968 L969 Y972 H978 A979 L982 | F932-F946 HydrophobicContact CD2-CD1 4.39Å; F932-F946 HydrophobicContact CD2-CE1 4.25Å; F932-F946 AromaticContact CE2-CD1 3.93Å; F932-F946 HydrophobicContact CE2-CD1 3.93Å; F932-F946 AromaticContact CE2-CE1 3.75Å; F932-F946 HydrophobicContact CE2-CE1 3.75Å; L935-F946 HydrophobicContact CD1-CD1 4.23Å; L935-F946 HydrophobicContact CD1-CE1 3.35Å; L935-F946 HydrophobicContact CD1-CE2 4.02Å; L935-F946 HydrophobicContact CD1-CZ 3.2Å; C942-F946 VanDerWaalsContact C-CD2 3.47Å; C942-F946 HydrophobicContact CB-CD2 4.25Å; C942-F946 HydrophobicContact CB-CE2 3.61Å; C942-F946 HydrophobicContact CB-CZ 4.38Å; C942-F946 WeakPolarHBondContact O-CD2 3.45Å; C942-F946 WeakPolarHBondContact O-CE2 3.46Å; C942-F946 WeakPolarHBondContact O-CG 3.35Å; C942-F946 PolarHBondContact O-N 3.08Å; D943-F946 PolarHBondContact O-N 2.91Å; S944-F946 PolarHBondContact O-N 3.4Å; F946-I948 VanDerWaalsContact C-N 3.29Å; F946-M949 PolarHBondContact O-N 3.02Å; F946-N950 WeakPolarHBondContact O-CB 3.44Å; F946-N950 PolarHBondContact O-N 3.43Å; F946-L968 HydrophobicContact CE1-CD2 4Å; F946-L969 HydrophobicContact CD1-CD2 3.58Å; F946-L969 HydrophobicContact CE1-CD2 3.53Å; F946-L969 HydrophobicContact CE1-CG 4.17Å; F946-L969 HydrophobicContact CG-CD2 4.42Å; F946-L969 HydrophobicContact CZ-CD2 4.38Å; F946-Y972 HydrophobicContact CD2-CG 4.33Å; F946-Y972 HydrophobicContact CE1-CD2 4.4Å; F946-Y972 AromaticContact CE2-CD1 3.96Å; F946-Y972 HydrophobicContact CE2-CD1 3.96Å; F946-Y972 AromaticContact CE2-CD2 3.32Å; F946-Y972 HydrophobicContact CE2-CD2 3.32Å; F946-Y972 HydrophobicContact CE2-CE2 4.14Å; F946-Y972 AromaticContact CE2-CG 3.16Å; F946-Y972 HydrophobicContact CE2-CG 3.16Å; F946-Y972 AromaticContact CZ-CD2 3.12Å; F946-Y972 HydrophobicContact CZ-CD2 3.12Å; F946-Y972 AromaticContact CZ-CE2 3.79Å; F946-Y972 HydrophobicContact CZ-CE2 3.79Å; F946-Y972 AromaticContact CZ-CG 3.54Å; F946-Y972 HydrophobicContact CZ-CG 3.54Å; F946-H978 HydrophobicContact CB-CB 3.87Å; F946-A979 HydrophobicContact CB-CB 4.46Å; F946-A979 HydrophobicContact CD1-CB 4.21Å; F946-A979 HydrophobicContact CD2-CB 3.53Å; F946-A979 HydrophobicContact CE1-CB 4.42Å; F946-A979 HydrophobicContact CE2-CB 3.84Å; F946-A979 HydrophobicContact CG-CB 3.77Å; F946-A979 HydrophobicContact CZ-CB 4.26Å; F946-L982 HydrophobicContact CD1-CD2 3.75Å |
| 947 | K | 78.8 | Confident | 70.4 | Confident | 51 Ų | 51 | 34.7 Ų | 34.7 | 22% | 0.222 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 172.3 | -73.3 | 167.7 | -168.1 | 172.1 | 0 | 110.7 | E899 L903 D943 S944 S951 H978 | E899-K947 WeakPolarHBondContact OE1-CD 3.24Å; E899-K947 IonicContact OE1-NZ 2.67Å; E899-K947 PolarHBondContact OE1-NZ 3.21Å; L903-K947 HydrophobicContact CD2-CB 4.16Å; D943-K947 WeakPolarHBondContact O-CB 3.35Å; D943-K947 WeakPolarHBondContact O-CD 3.48Å; D943-K947 WeakPolarHBondContact O-CG 3.16Å; D943-K947 PolarHBondContact O-N 2.94Å; S944-K947 WeakPolarHBondContact O-CB 3.49Å; S944-K947 PolarHBondContact O-N 3.41Å; K947-S951 WeakPolarHBondContact O-CB 3.34Å; K947-S951 PolarHBondContact O-N 2.92Å; K947-S951 VanDerWaalsContact O-N 3.1Å; K947-S951 PolarHBondContact O-OG 3.09Å; K947-S951 VanDerWaalsContact O-OG 3.07Å; K947-H978 WeakPolarHBondContact CE-CE1 3.34Å; K947-H978 HydrophobicContact CG-CB 3.89Å; K947-H978 WeakPolarHBondContact CG-CD2 3.47Å |
| 948 | I | 81.3 | Confident | 71.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -53 | 177.8 | -64.1 | 161.1 | 0 | 0 | 0 | 108.9 | L898 W902 L903 L906 I928 S944 V945 F946 S951 L952 | L898-I948 HydrophobicContact CD2-CD1 4.46Å; W902-I948 HydrophobicContact CB-CB 4.3Å; W902-I948 HydrophobicContact CB-CD1 3.22Å; W902-I948 HydrophobicContact CB-CG1 3.45Å; W902-I948 VanDerWaalsContact CB-CG1 3.45Å; W902-I948 HydrophobicContact CB-CG2 3.81Å; W902-I948 HydrophobicContact CD2-CG2 3.72Å; W902-I948 HydrophobicContact CE3-CG2 3.63Å; W902-I948 HydrophobicContact CG-CD1 3.66Å; W902-I948 HydrophobicContact CG-CG1 4.16Å; W902-I948 HydrophobicContact CG-CG2 3.8Å; L903-I948 HydrophobicContact CD2-CG1 4.38Å; L906-I948 HydrophobicContact CD1-CB 4.11Å; L906-I948 HydrophobicContact CD1-CG2 3.69Å; L906-I948 VanDerWaalsContact CD1-O 3.26Å; L906-I948 WeakPolarHBondContact CD1-O 3.3Å; I928-I948 HydrophobicContact CD1-CD1 4.4Å; I928-I948 HydrophobicContact CD1-CG2 3.94Å; I928-I948 HydrophobicContact CG1-CG2 3.69Å; S944-I948 WeakPolarHBondContact O-CB 3.46Å; S944-I948 VanDerWaalsContact O-CD1 3.23Å; S944-I948 WeakPolarHBondContact O-CD1 3.37Å; S944-I948 WeakPolarHBondContact O-CG1 3.47Å; S944-I948 PolarHBondContact O-N 3.31Å; V945-I948 PolarHBondContact O-N 3.46Å; F946-I948 VanDerWaalsContact C-N 3.29Å; I948-S951 PolarHBondContact O-N 2.92Å; I948-L952 WeakPolarHBondContact O-CB 3.46Å; I948-L952 PolarHBondContact O-N 3.45Å |
| 949 | M | 82.3 | Confident | 71.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.7 | -35.5 | -175.9 | -78.1 | -58.8 | -30.1 | 0 | 0 | 114.5 | I928 F932 V945 F946 L952 C953 I958 L960 L982 | I928-M949 HydrophobicContact CG1-SD 4.04Å; I928-M949 HydrophobicContact CG2-SD 4.21Å; F932-M949 HydrophobicContact CB-CG 3.63Å; F932-M949 HydrophobicContact CB-SD 3.94Å; F932-M949 HydrophobicContact CD2-CB 3.92Å; F932-M949 HydrophobicContact CD2-CG 3.41Å; F932-M949 VanDerWaalsContact CD2-CG 3.41Å; F932-M949 HydrophobicContact CE2-CB 4.22Å; F932-M949 HydrophobicContact CE2-CG 4.18Å; F932-M949 HydrophobicContact CG-CB 4.46Å; F932-M949 HydrophobicContact CG-CG 3.58Å; F932-M949 HydrophobicContact CG-SD 4.16Å; V945-M949 HydrophobicContact CG1-CG 4.16Å; V945-M949 VanDerWaalsContact O-CB 3.27Å; V945-M949 WeakPolarHBondContact O-CB 3.38Å; V945-M949 WeakPolarHBondContact O-CG 3.39Å; V945-M949 PolarHBondContact O-N 3.17Å; F946-M949 PolarHBondContact O-N 3.02Å; M949-L952 HydrophobicContact CE-CB 4.28Å; M949-L952 HydrophobicContact CE-CD2 3.75Å; M949-L952 HydrophobicContact CE-CG 4.31Å; M949-L952 PolarHBondContact O-N 3.41Å; M949-L952 HydrophobicContact SD-CD2 3.7Å; M949-C953 WeakPolarHBondContact CE-SG 3.28Å; M949-C953 WeakPolarHBondContact O-CB 3.32Å; M949-C953 PolarHBondContact O-N 2.88Å; M949-C953 PolarHBondContact O-SG 2.97Å; M949-I958 HydrophobicContact CE-CD1 4.35Å; M949-L960 HydrophobicContact CE-CD1 4.05Å; M949-L982 HydrophobicContact CB-CD1 4.27Å; M949-L982 HydrophobicContact CB-CD2 3.49Å; M949-L982 VanDerWaalsContact CB-CD2 3.49Å |
| 950 | N | 80.5 | Confident | 72.4 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -49.2 | 175 | -168.3 | 31.9 | 0 | 0 | 0 | 110.4 | F946 L952 C953 S954 S981 L982 T985 | F946-N950 WeakPolarHBondContact O-CB 3.44Å; F946-N950 PolarHBondContact O-N 3.43Å; N950-L952 VanDerWaalsContact C-N 3.29Å; N950-L952 PolarHBondContact O-N 3.29Å; N950-C953 PolarHBondContact O-N 3.18Å; N950-S954 VanDerWaalsContact O-CB 3.32Å; N950-S954 WeakPolarHBondContact O-CB 3.1Å; N950-S954 PolarHBondContact O-N 3.03Å; N950-S954 PolarHBondContact O-OG 3.2Å; N950-S981 VanDerWaalsContact ND2-CB 3.35Å; N950-S981 WeakPolarHBondContact ND2-CB 3.48Å; N950-S981 PolarHBondContact ND2-OG 3.41Å; N950-L982 HydrophobicContact CB-CB 3.94Å; N950-L982 HydrophobicContact CB-CD1 4.35Å; N950-L982 WeakPolarHBondContact OD1-CA 3.49Å; N950-T985 PolarHBondContact OD1-OG1 3.44Å |
| 951 | S | 79.6 | Confident | 73.3 | Confident | 21 Ų | 21 | 37 Ų | 37 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 175 | -68 | 0 | 0 | 0 | 0 | 110.4 | K910 K947 I948 S954 C955 | K910-S951 PolarHBondContact NZ-OG 3.4Å; K947-S951 WeakPolarHBondContact O-CB 3.34Å; K947-S951 PolarHBondContact O-N 2.92Å; K947-S951 VanDerWaalsContact O-N 3.1Å; K947-S951 PolarHBondContact O-OG 3.09Å; K947-S951 VanDerWaalsContact O-OG 3.07Å; I948-S951 PolarHBondContact O-N 2.92Å; S951-S954 PolarHBondContact O-N 2.9Å; S951-S954 PolarHBondContact O-OG 3.42Å; S951-C955 WeakPolarHBondContact O-CB 3.37Å; S951-C955 PolarHBondContact O-N 3.45Å; S951-C955 PolarHBondContact O-SG 2.92Å |
| 952 | L | 82 | Confident | 74.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -50.3 | 179.2 | -175.9 | 64.7 | 0 | 0 | 0 | 112.4 | L906 L919 T925 I928 I948 M949 N950 S954 C955 V956 I958 | L906-L952 HydrophobicContact CD2-CB 4.15Å; L906-L952 HydrophobicContact CD2-CD1 3.94Å; L919-L952 HydrophobicContact CD2-CD1 3.35Å; T925-L952 HydrophobicContact CG2-CD2 4.36Å; I928-L952 HydrophobicContact CG2-CD2 3.73Å; I948-L952 WeakPolarHBondContact O-CB 3.46Å; I948-L952 PolarHBondContact O-N 3.45Å; M949-L952 HydrophobicContact CE-CB 4.28Å; M949-L952 HydrophobicContact CE-CD2 3.75Å; M949-L952 HydrophobicContact CE-CG 4.31Å; M949-L952 PolarHBondContact O-N 3.41Å; M949-L952 HydrophobicContact SD-CD2 3.7Å; N950-L952 VanDerWaalsContact C-N 3.29Å; N950-L952 PolarHBondContact O-N 3.29Å; L952-S954 VanDerWaalsContact C-N 3.25Å; L952-S954 PolarHBondContact O-N 3.4Å; L952-C955 PolarHBondContact O-N 2.92Å; L952-V956 HydrophobicContact CD1-CB 4.09Å; L952-V956 HydrophobicContact CD1-CG2 4.02Å; L952-V956 WeakPolarHBondContact O-CA 3.29Å; L952-V956 WeakPolarHBondContact O-CB 3.17Å; L952-V956 PolarHBondContact O-N 3.19Å; L952-I958 HydrophobicContact CD1-CD1 3.94Å; L952-I958 HydrophobicContact CD2-CD1 3.22Å; L952-I958 HydrophobicContact CG-CD1 3.28Å; L952-I958 HydrophobicContact CG-CG1 4.46Å |
| 953 | C | 77 | Confident | 74.7 | Confident | 26 Ų | 26 | 39.6 Ų | 39.6 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.7 | -25.6 | 178.8 | -66.2 | 0 | 0 | 0 | 0 | 113.3 | M949 N950 L982 T985 L986 | M949-C953 WeakPolarHBondContact CE-SG 3.28Å; M949-C953 WeakPolarHBondContact O-CB 3.32Å; M949-C953 PolarHBondContact O-N 2.88Å; M949-C953 PolarHBondContact O-SG 2.97Å; N950-C953 PolarHBondContact O-N 3.18Å; C953-L982 HydrophobicContact CB-CD1 4.2Å; C953-T985 HydrophobicContact CB-CG2 4.17Å; C953-L986 HydrophobicContact CB-CD2 4.42Å |
| 954 | S | 75.5 | Confident | 74.6 | Confident | 77 Ų | 77 | 40.6 Ų | 40.6 | 54% | 0.538 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -76.7 | -33.5 | 174.9 | 75.7 | 0 | 0 | 0 | 0 | 112.9 | N950 S951 L952 | N950-S954 VanDerWaalsContact O-CB 3.32Å; N950-S954 WeakPolarHBondContact O-CB 3.1Å; N950-S954 PolarHBondContact O-N 3.03Å; N950-S954 PolarHBondContact O-OG 3.2Å; S951-S954 PolarHBondContact O-N 2.9Å; S951-S954 PolarHBondContact O-OG 3.42Å; L952-S954 VanDerWaalsContact C-N 3.25Å; L952-S954 PolarHBondContact O-N 3.4Å |
| 955 | C | 71.8 | Confident | 74.9 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 37% | 0.365 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -95.6 | -30 | -175.7 | -64.3 | 0 | 0 | 0 | 0 | 113.1 | K910 S951 L952 | K910-C955 VanDerWaalsContact CG-SG 3.57Å; S951-C955 WeakPolarHBondContact O-CB 3.37Å; S951-C955 PolarHBondContact O-N 3.45Å; S951-C955 PolarHBondContact O-SG 2.92Å; L952-C955 PolarHBondContact O-N 2.92Å |
| 956 | V | 75.2 | Confident | 75 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -131.4 | 129.4 | -169.9 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | A916 L952 I958 | A916-V956 HydrophobicContact CB-CG2 4.45Å; L952-V956 HydrophobicContact CD1-CB 4.09Å; L952-V956 HydrophobicContact CD1-CG2 4.02Å; L952-V956 WeakPolarHBondContact O-CA 3.29Å; L952-V956 WeakPolarHBondContact O-CB 3.17Å; L952-V956 PolarHBondContact O-N 3.19Å; V956-I958 HydrophobicContact CB-CG1 4.44Å; V956-I958 HydrophobicContact CG1-CG1 4.11Å; V956-I958 PolarHBondContact O-N 3.31Å; V956-I958 VanDerWaalsContact O-N 3.09Å |
| 957 | P | 63.5 | Low | 74.7 | Confident | 130 Ų | 130 | 46.8 Ų | 46.8 | 84% | 0.844 | 25% | 0.249 | S | C | * | . | trans | -73.7 | 100.1 | 177.4 | 28.9 | -33 | 0 | 0 | 0 | 111.5 | ||||
| 958 | I | 67.9 | Low | 74.6 | Confident | 40 Ų | 40 | 45.2 Ų | 45.2 | 21% | 0.205 | 24% | 0.243 | C | C | . | . | trans | -103.5 | 131.6 | 178.8 | -56 | -172.9 | 0 | 0 | 0 | 111.3 | T925 T929 M949 L952 V956 L960 | T925-I958 HydrophobicContact CG2-CD1 3.8Å; T929-I958 HydrophobicContact CG2-CD1 4.24Å; T929-I958 HydrophobicContact CG2-CG2 3.77Å; M949-I958 HydrophobicContact CE-CD1 4.35Å; L952-I958 HydrophobicContact CD1-CD1 3.94Å; L952-I958 HydrophobicContact CD2-CD1 3.22Å; L952-I958 HydrophobicContact CG-CD1 3.28Å; L952-I958 HydrophobicContact CG-CG1 4.46Å; V956-I958 HydrophobicContact CB-CG1 4.44Å; V956-I958 HydrophobicContact CG1-CG1 4.11Å; V956-I958 PolarHBondContact O-N 3.31Å; V956-I958 VanDerWaalsContact O-N 3.09Å; I958-L960 HydrophobicContact CB-CG 4.4Å; I958-L960 HydrophobicContact CG2-CD1 4.38Å; I958-L960 HydrophobicContact CG2-CD2 4Å; I958-L960 HydrophobicContact CG2-CG 3.79Å; I958-L960 PolarHBondContact O-N 3.25Å | ||
| 959 | K | 63.9 | Low | 74.3 | Confident | 204 Ų | 204 | 45.2 Ų | 45.2 | 89% | 0.887 | 24% | 0.243 | S | C | * | . | trans | -78 | 94.5 | 172.2 | -70.7 | -179 | -179.3 | 172 | 0 | 110.4 | ||||
| 960 | L | 71.9 | Confident | 74.1 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | trans | -106.3 | 144.5 | 175.8 | -66.5 | 167.3 | 0 | 0 | 0 | 112 | T929 W933 M949 I958 L962 C965 L986 | T929-L960 HydrophobicContact CG2-CD2 3.96Å; W933-L960 HydrophobicContact CZ2-CB 4.06Å; W933-L960 HydrophobicContact CZ2-CD2 3.73Å; W933-L960 HydrophobicContact CZ2-CG 4.49Å; M949-L960 HydrophobicContact CE-CD1 4.05Å; I958-L960 HydrophobicContact CB-CG 4.4Å; I958-L960 HydrophobicContact CG2-CD1 4.38Å; I958-L960 HydrophobicContact CG2-CD2 4Å; I958-L960 HydrophobicContact CG2-CG 3.79Å; I958-L960 PolarHBondContact O-N 3.25Å; L960-L962 PolarHBondContact O-N 2.97Å; L960-C965 VanDerWaalsContact CB-SG 3.5Å; L960-L986 HydrophobicContact CD1-CD2 3.86Å | ||
| 961 | N | 71.3 | Confident | 73.4 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 43% | 0.433 | 26% | 0.261 | S | S | . | . | trans | -74.5 | 96.3 | 170.1 | -174 | -1 | 0 | 0 | 0 | 110 | W933 T963 D964 C965 | W933-N961 HydrophobicContact CH2-CB 4.46Å; W933-N961 WeakPolarHBondContact CH2-O 3.33Å; W933-N961 HydrophobicContact CZ2-CB 4.45Å; N961-T963 PolarHBondContact O-N 2.9Å; N961-T963 WeakPolarHBondContact OD1-CB 3.49Å; N961-T963 PolarHBondContact OD1-N 3.43Å; N961-T963 PolarHBondContact OD1-OG1 2.95Å; N961-D964 VanDerWaalsContact CG-OD2 3.23Å; N961-D964 PolarHBondContact ND2-OD2 3.5Å; N961-D964 PolarHBondContact O-N 2.88Å; N961-C965 PolarHBondContact O-N 2.99Å; N961-C965 VanDerWaalsContact O-N 3.13Å | ||
| 962 | L | 72.6 | Confident | 73.1 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -50.6 | -32 | -176 | -63 | 154.8 | 0 | 0 | 0 | 113.8 | L960 D964 T966 L986 D990 M995 | L960-L962 PolarHBondContact O-N 2.97Å; L962-D964 VanDerWaalsContact C-N 3.27Å; L962-D964 PolarHBondContact O-N 3.47Å; L962-T966 VanDerWaalsContact O-CB 3.3Å; L962-T966 WeakPolarHBondContact O-CB 3.29Å; L962-T966 PolarHBondContact O-N 3.09Å; L962-T966 PolarHBondContact O-OG1 2.83Å; L962-L986 HydrophobicContact CD2-CB 4.04Å; L962-L986 HydrophobicContact CD2-CD2 4.49Å; L962-L986 WeakPolarHBondContact CD2-O 3.46Å; L962-D990 HydrophobicContact CB-CB 4.35Å; L962-D990 HydrophobicContact CD1-CB 3.71Å; L962-D990 HydrophobicContact CD2-CB 4.1Å; L962-D990 HydrophobicContact CG-CB 4.25Å; L962-M995 HydrophobicContact CB-CG 3.98Å; L962-M995 HydrophobicContact CB-SD 4.35Å; L962-M995 HydrophobicContact CD2-CG 4.47Å; L962-M995 HydrophobicContact CD2-SD 3.86Å |
| 963 | T | 74 | Confident | 72.6 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.5 | -46.6 | 175.6 | -40.9 | 0 | 0 | 0 | 0 | 112.2 | N961 T966 I994 L998 | N961-T963 PolarHBondContact O-N 2.9Å; N961-T963 WeakPolarHBondContact OD1-CB 3.49Å; N961-T963 PolarHBondContact OD1-N 3.43Å; N961-T963 PolarHBondContact OD1-OG1 2.95Å; T963-T966 WeakPolarHBondContact O-CB 3.36Å; T963-I994 HydrophobicContact CG2-CG2 3.5Å; T963-I994 VanDerWaalsContact OG1-CD1 3.22Å; T963-I994 WeakPolarHBondContact OG1-CD1 3.44Å; T963-L998 HydrophobicContact CG2-CD1 4.28Å; T963-L998 WeakPolarHBondContact O-CD1 3.23Å |
| 964 | D | 70.1 | Confident | 72.1 | Confident | 61 Ų | 61 | 49.3 Ų | 49.3 | 33% | 0.326 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -84.6 | -39.7 | -169.3 | -57.5 | -30.3 | 0 | 0 | 0 | 107.3 | W933 N961 L962 T966 R967 L968 | W933-D964 HydrophobicContact CE3-CB 3.94Å; W933-D964 HydrophobicContact CH2-CB 3.61Å; W933-D964 HydrophobicContact CZ3-CB 3.21Å; N961-D964 VanDerWaalsContact CG-OD2 3.23Å; N961-D964 PolarHBondContact ND2-OD2 3.5Å; N961-D964 PolarHBondContact O-N 2.88Å; L962-D964 VanDerWaalsContact C-N 3.27Å; L962-D964 PolarHBondContact O-N 3.47Å; D964-T966 PolarHBondContact O-N 3.37Å; D964-R967 PolarHBondContact O-N 2.87Å; D964-R967 IonicContact OD1-NH1 3.21Å; D964-L968 WeakPolarHBondContact O-CB 3.43Å; D964-L968 PolarHBondContact O-N 3.09Å |
| 965 | C | 76.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.7 | -42.8 | -175.3 | -86.2 | 0 | 0 | 0 | 0 | 108.3 | F932 W933 L960 N961 L968 L969 L986 M995 | F932-C965 HydrophobicContact CE1-CB 4.11Å; F932-C965 WeakPolarHBondContact CE1-SG 3.43Å; F932-C965 HydrophobicContact CZ-CB 4.14Å; W933-C965 VanDerWaalsContact CH2-CA 3.4Å; W933-C965 HydrophobicContact CH2-CB 3.77Å; W933-C965 WeakPolarHBondContact CH2-SG 3.4Å; W933-C965 VanDerWaalsContact CZ2-SG 3.57Å; W933-C965 HydrophobicContact CZ3-CB 4.21Å; L960-C965 VanDerWaalsContact CB-SG 3.5Å; N961-C965 PolarHBondContact O-N 2.99Å; N961-C965 VanDerWaalsContact O-N 3.13Å; C965-L968 WeakPolarHBondContact O-CB 3.49Å; C965-L969 HydrophobicContact CB-CD1 4.47Å; C965-L969 WeakPolarHBondContact O-CB 3.2Å; C965-L969 VanDerWaalsContact O-CD1 3.27Å; C965-L969 WeakPolarHBondContact O-CD1 3.5Å; C965-L969 WeakPolarHBondContact O-CG 3.44Å; C965-L969 PolarHBondContact O-N 3.42Å; C965-L986 HydrophobicContact CB-CD1 3.59Å; C965-L986 VanDerWaalsContact SG-CD1 3.57Å; C965-M995 HydrophobicContact CB-CE 4.34Å |
| 966 | T | 79 | Confident | 71.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -56.2 | -179.6 | -67.3 | 0 | 0 | 0 | 0 | 113.8 | L962 T963 D964 L968 L969 F970 F983 M995 L998 | L962-T966 VanDerWaalsContact O-CB 3.3Å; L962-T966 WeakPolarHBondContact O-CB 3.29Å; L962-T966 PolarHBondContact O-N 3.09Å; L962-T966 PolarHBondContact O-OG1 2.83Å; T963-T966 WeakPolarHBondContact O-CB 3.36Å; D964-T966 PolarHBondContact O-N 3.37Å; T966-L968 PolarHBondContact O-N 3.04Å; T966-L969 WeakPolarHBondContact O-CB 3.4Å; T966-L969 PolarHBondContact O-N 3.45Å; T966-L969 VanDerWaalsContact O-N 3.14Å; T966-F970 HydrophobicContact CG2-CD2 4.01Å; T966-F970 HydrophobicContact CG2-CE1 4.29Å; T966-F970 HydrophobicContact CG2-CE2 3.03Å; T966-F970 HydrophobicContact CG2-CZ 3.16Å; T966-F970 VanDerWaalsContact O-CD2 3.29Å; T966-F970 WeakPolarHBondContact O-CD2 3.37Å; T966-F970 WeakPolarHBondContact O-CE2 3.36Å; T966-F970 WeakPolarHBondContact O-CG 3.41Å; T966-F970 PolarHBondContact O-N 3.42Å; T966-F983 HydrophobicContact CG2-CD2 4.42Å; T966-F983 HydrophobicContact CG2-CE2 3.73Å; T966-M995 HydrophobicContact CG2-CB 4.24Å; T966-M995 WeakPolarHBondContact CG2-O 3.38Å; T966-M995 WeakPolarHBondContact OG1-CA 3.27Å; T966-M995 WeakPolarHBondContact OG1-CB 3.26Å; T966-M995 WeakPolarHBondContact OG1-CE 3.31Å; T966-M995 WeakPolarHBondContact OG1-CG 3.42Å; T966-L998 HydrophobicContact CG2-CB 3.44Å; T966-L998 VanDerWaalsContact CG2-CB 3.44Å; T966-L998 HydrophobicContact CG2-CD1 3.51Å; T966-L998 HydrophobicContact CG2-CG 4.11Å |
| 967 | R | 73 | Confident | 71.4 | Confident | 130 Ų | 130 | 50.3 Ų | 50.3 | 49% | 0.491 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | -176.7 | -62.1 | -170.6 | -179.8 | 118.6 | -5.6 | 109.7 | D964 F970 L998 | D964-R967 PolarHBondContact O-N 2.87Å; D964-R967 IonicContact OD1-NH1 3.21Å; R967-F970 PolarHBondContact O-N 2.88Å; R967-L998 HydrophobicContact CG-CB 4.36Å; R967-L998 HydrophobicContact CG-CD1 3.55Å; R967-L998 HydrophobicContact CG-CD2 3.87Å; R967-L998 HydrophobicContact CG-CG 4.13Å |
| 968 | L | 78.2 | Confident | 72.2 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.3 | -48.7 | 174.4 | 176.7 | 113.8 | 0 | 0 | 0 | 111.5 | F932 W933 L935 F946 D964 C965 T966 F970 R971 Y972 | F932-L968 HydrophobicContact CD1-CD2 4.05Å; F932-L968 HydrophobicContact CD2-CD2 3.59Å; F932-L968 HydrophobicContact CE1-CD2 3.67Å; F932-L968 HydrophobicContact CE2-CD2 3.22Å; F932-L968 HydrophobicContact CG-CD2 4.03Å; F932-L968 HydrophobicContact CZ-CD2 3.28Å; F932-L968 WeakPolarHBondContact O-CD1 3.32Å; F932-L968 WeakPolarHBondContact O-CD2 3.43Å; F932-L968 WeakPolarHBondContact O-CG 3.45Å; W933-L968 WeakPolarHBondContact O-CD1 3.46Å; L935-L968 HydrophobicContact CB-CD1 3.81Å; L935-L968 HydrophobicContact CB-CG 4.31Å; L935-L968 HydrophobicContact CD1-CD1 4.12Å; L935-L968 HydrophobicContact CD1-CD2 3.58Å; L935-L968 HydrophobicContact CD1-CG 3.87Å; L935-L968 HydrophobicContact CG-CD1 4.13Å; L935-L968 HydrophobicContact CG-CD2 4.41Å; L935-L968 HydrophobicContact CG-CG 4.43Å; F946-L968 HydrophobicContact CE1-CD2 4Å; D964-L968 WeakPolarHBondContact O-CB 3.43Å; D964-L968 PolarHBondContact O-N 3.09Å; C965-L968 WeakPolarHBondContact O-CB 3.49Å; T966-L968 PolarHBondContact O-N 3.04Å; L968-F970 VanDerWaalsContact C-N 3.28Å; L968-F970 PolarHBondContact O-N 3.16Å; L968-R971 PolarHBondContact O-N 2.99Å; L968-Y972 WeakPolarHBondContact O-CD2 3.44Å |
| 969 | L | 74.7 | Confident | 72.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.8 | -40.2 | 176.8 | -85.1 | 165 | 0 | 0 | 0 | 113.3 | F932 F946 C965 T966 R971 Y972 I973 A979 L982 F983 L986 M995 | F932-L969 HydrophobicContact CZ-CG 4.44Å; F946-L969 HydrophobicContact CD1-CD2 3.58Å; F946-L969 HydrophobicContact CE1-CD2 3.53Å; F946-L969 HydrophobicContact CE1-CG 4.17Å; F946-L969 HydrophobicContact CG-CD2 4.42Å; F946-L969 HydrophobicContact CZ-CD2 4.38Å; C965-L969 HydrophobicContact CB-CD1 4.47Å; C965-L969 WeakPolarHBondContact O-CB 3.2Å; C965-L969 VanDerWaalsContact O-CD1 3.27Å; C965-L969 WeakPolarHBondContact O-CD1 3.5Å; C965-L969 WeakPolarHBondContact O-CG 3.44Å; C965-L969 PolarHBondContact O-N 3.42Å; T966-L969 WeakPolarHBondContact O-CB 3.4Å; T966-L969 PolarHBondContact O-N 3.45Å; T966-L969 VanDerWaalsContact O-N 3.14Å; L969-R971 VanDerWaalsContact C-N 3.3Å; L969-R971 PolarHBondContact O-N 3.01Å; L969-Y972 CarbonylContact O-C 3.52Å; L969-Y972 PolarHBondContact O-N 3.5Å; L969-I973 HydrophobicContact CB-CD1 4.01Å; L969-I973 HydrophobicContact CB-CG1 4.44Å; L969-I973 VanDerWaalsContact O-CG1 3.28Å; L969-I973 WeakPolarHBondContact O-CG1 3.42Å; L969-I973 PolarHBondContact O-N 2.99Å; L969-A979 HydrophobicContact CD2-CB 3.87Å; L969-A979 WeakPolarHBondContact CD2-O 3.33Å; L969-L982 HydrophobicContact CD1-CG 4.18Å; L969-L982 HydrophobicContact CD2-CB 3.91Å; L969-L982 HydrophobicContact CD2-CD2 3.86Å; L969-L982 HydrophobicContact CD2-CG 3.97Å; L969-L982 HydrophobicContact CG-CD2 4.46Å; L969-F983 HydrophobicContact CB-CB 4.45Å; L969-F983 HydrophobicContact CB-CD2 4.3Å; L969-F983 VanDerWaalsContact CD1-CA 3.48Å; L969-F983 HydrophobicContact CD1-CB 3.74Å; L969-F983 HydrophobicContact CD1-CD2 4.01Å; L969-F983 HydrophobicContact CD1-CG 4.37Å; L969-F983 HydrophobicContact CD2-CB 4.4Å; L969-F983 HydrophobicContact CG-CB 4.46Å; L969-L986 HydrophobicContact CD1-CD1 3.91Å; L969-M995 HydrophobicContact CD1-CE 3.77Å |
| 970 | F | 78.5 | Confident | 73.2 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.8 | -42.4 | -177.2 | -79 | -28 | 0 | 0 | 0 | 114.9 | T966 R967 L968 Y972 I973 F983 L998 L999 W1002 | T966-F970 HydrophobicContact CG2-CD2 4.01Å; T966-F970 HydrophobicContact CG2-CE1 4.29Å; T966-F970 HydrophobicContact CG2-CE2 3.03Å; T966-F970 HydrophobicContact CG2-CZ 3.16Å; T966-F970 VanDerWaalsContact O-CD2 3.29Å; T966-F970 WeakPolarHBondContact O-CD2 3.37Å; T966-F970 WeakPolarHBondContact O-CE2 3.36Å; T966-F970 WeakPolarHBondContact O-CG 3.41Å; T966-F970 PolarHBondContact O-N 3.42Å; R967-F970 PolarHBondContact O-N 2.88Å; L968-F970 VanDerWaalsContact C-N 3.28Å; L968-F970 PolarHBondContact O-N 3.16Å; F970-Y972 PolarHBondContact O-N 3.26Å; F970-I973 HydrophobicContact CD1-CD1 3.4Å; F970-I973 VanDerWaalsContact CD1-CD1 3.4Å; F970-I973 HydrophobicContact CD1-CG1 4.49Å; F970-I973 HydrophobicContact CE1-CD1 3.51Å; F970-I973 PolarHBondContact O-N 3.39Å; F970-I973 VanDerWaalsContact O-N 3.13Å; F970-F983 AromaticContact CE1-CD2 3.74Å; F970-F983 HydrophobicContact CE1-CD2 3.74Å; F970-F983 AromaticContact CE1-CE2 3.45Å; F970-F983 HydrophobicContact CE1-CE2 3.45Å; F970-F983 VanDerWaalsContact CE1-CE2 3.45Å; F970-F983 HydrophobicContact CE1-CG 4.49Å; F970-F983 AromaticContact CE1-CZ 3.92Å; F970-F983 HydrophobicContact CE1-CZ 3.92Å; F970-F983 HydrophobicContact CE2-CE2 4.45Å; F970-F983 AromaticContact CZ-CD2 3.94Å; F970-F983 HydrophobicContact CZ-CD2 3.94Å; F970-F983 AromaticContact CZ-CE2 3.27Å; F970-F983 HydrophobicContact CZ-CE2 3.27Å; F970-F983 AromaticContact CZ-CZ 3.81Å; F970-F983 HydrophobicContact CZ-CZ 3.81Å; F970-L998 HydrophobicContact CD2-CB 4.2Å; F970-L998 WeakPolarHBondContact CD2-O 3.11Å; F970-L998 HydrophobicContact CE2-CB 3.39Å; F970-L998 VanDerWaalsContact CE2-O 3.23Å; F970-L998 WeakPolarHBondContact CE2-O 3.33Å; F970-L998 HydrophobicContact CZ-CB 4.25Å; F970-L999 HydrophobicContact CD1-CB 4.31Å; F970-L999 HydrophobicContact CD1-CD1 3.59Å; F970-L999 HydrophobicContact CD1-CG 4.49Å; F970-L999 HydrophobicContact CE1-CB 3.37Å; F970-L999 HydrophobicContact CE1-CD1 3.16Å; F970-L999 HydrophobicContact CE1-CG 3.79Å; F970-L999 HydrophobicContact CE2-CB 4.05Å; F970-L999 HydrophobicContact CZ-CB 3.2Å; F970-L999 HydrophobicContact CZ-CD1 4Å; F970-L999 HydrophobicContact CZ-CG 4.15Å; F970-W1002 HydrophobicContact CB-CB 3.83Å; F970-W1002 VanDerWaalsContact CB-CD1 3.46Å; F970-W1002 HydrophobicContact CB-CD2 3.78Å; F970-W1002 HydrophobicContact CB-CG 3.37Å; F970-W1002 HydrophobicContact CD1-CB 4.08Å; F970-W1002 AromaticContact CD1-CD2 3.77Å; F970-W1002 HydrophobicContact CD1-CD2 3.77Å; F970-W1002 AromaticContact CD1-CE3 3.83Å; F970-W1002 HydrophobicContact CD1-CE3 3.83Å; F970-W1002 AromaticContact CD1-CG 3.94Å; F970-W1002 HydrophobicContact CD1-CG 3.94Å; F970-W1002 HydrophobicContact CD2-CB 3.68Å; F970-W1002 HydrophobicContact CD2-CG 4.13Å; F970-W1002 HydrophobicContact CE2-CB 4.47Å; F970-W1002 HydrophobicContact CG-CB 3.52Å; F970-W1002 AromaticContact CG-CD2 3.82Å; F970-W1002 HydrophobicContact CG-CD2 3.82Å; F970-W1002 HydrophobicContact CG-CE3 4.33Å; F970-W1002 AromaticContact CG-CG 3.49Å; F970-W1002 HydrophobicContact CG-CG 3.49Å; F970-W1002 VanDerWaalsContact CG-CG 3.49Å; F970-W1002 WeakPolarHBondContact O-CZ2 3.39Å; F970-W1002 PolarHBondContact O-NE1 2.85Å |
| 971 | R | 65.3 | Low | 73.4 | Confident | 130 Ų | 130 | 37.6 Ų | 37.6 | 49% | 0.491 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -47.7 | -32 | 176.1 | -76.2 | 179.1 | 155.9 | -172.9 | -9.5 | 113.3 | D937 L968 L969 | D937-R971 WeakPolarHBondContact OD1-CD 3.33Å; D937-R971 IonicContact OD1-NE 3.43Å; D937-R971 IonicContact OD2-CZ 3.46Å; D937-R971 IonicContact OD2-NE 2.69Å; D937-R971 IonicContact OD2-NH1 3.29Å; D937-R971 IonicContact OD2-NH2 3.5Å; L968-R971 PolarHBondContact O-N 2.99Å; L969-R971 VanDerWaalsContact C-N 3.3Å; L969-R971 PolarHBondContact O-N 3.01Å |
| 972 | Y | 73.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -114.2 | -9.8 | -174.1 | -52.8 | -85.3 | 0 | 0 | 0 | 114.2 | L935 S936 D937 C942 F946 L968 L969 F970 V974 K975 S976 | L935-Y972 VanDerWaalsContact C-OH 3.27Å; L935-Y972 HydrophobicContact CB-CE2 3.81Å; L935-Y972 WeakPolarHBondContact CB-OH 3.5Å; L935-Y972 HydrophobicContact CD1-CE2 4.2Å; L935-Y972 PolarHBondContact O-OH 3.16Å; S936-Y972 PolarHBondContact N-OH 2.85Å; S936-Y972 PolarHBondContact O-OH 3.34Å; D937-Y972 WeakPolarHBondContact CA-OH 3.36Å; D937-Y972 PolarHBondContact N-OH 3.49Å; C942-Y972 HydrophobicContact CB-CD1 3.15Å; C942-Y972 HydrophobicContact CB-CD2 4.21Å; C942-Y972 HydrophobicContact CB-CE1 3.05Å; C942-Y972 HydrophobicContact CB-CE2 4.1Å; C942-Y972 HydrophobicContact CB-CG 3.74Å; C942-Y972 WeakPolarHBondContact SG-CE1 3.5Å; C942-Y972 PolarHBondContact SG-OH 3.35Å; F946-Y972 HydrophobicContact CD2-CG 4.33Å; F946-Y972 HydrophobicContact CE1-CD2 4.4Å; F946-Y972 AromaticContact CE2-CD1 3.96Å; F946-Y972 HydrophobicContact CE2-CD1 3.96Å; F946-Y972 AromaticContact CE2-CD2 3.32Å; F946-Y972 HydrophobicContact CE2-CD2 3.32Å; F946-Y972 HydrophobicContact CE2-CE2 4.14Å; F946-Y972 AromaticContact CE2-CG 3.16Å; F946-Y972 HydrophobicContact CE2-CG 3.16Å; F946-Y972 AromaticContact CZ-CD2 3.12Å; F946-Y972 HydrophobicContact CZ-CD2 3.12Å; F946-Y972 AromaticContact CZ-CE2 3.79Å; F946-Y972 HydrophobicContact CZ-CE2 3.79Å; F946-Y972 AromaticContact CZ-CG 3.54Å; F946-Y972 HydrophobicContact CZ-CG 3.54Å; L968-Y972 WeakPolarHBondContact O-CD2 3.44Å; L969-Y972 CarbonylContact O-C 3.52Å; L969-Y972 PolarHBondContact O-N 3.5Å; F970-Y972 PolarHBondContact O-N 3.26Å; Y972-V974 VanDerWaalsContact C-N 3.26Å; Y972-V974 PolarHBondContact O-N 2.89Å; Y972-K975 CarbonylContact O-C 3.57Å; Y972-K975 PolarHBondContact O-N 3.47Å; Y972-S976 WeakPolarHBondContact O-CA 3.18Å; Y972-S976 WeakPolarHBondContact O-CB 3.37Å; Y972-S976 PolarHBondContact O-N 3.13Å |
| 973 | I | 70.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.6 | -37.8 | 176.6 | -85 | 167.6 | 0 | 0 | 0 | 111.6 | L969 F970 K975 A979 F983 W1002 L1017 I1020 | L969-I973 HydrophobicContact CB-CD1 4.01Å; L969-I973 HydrophobicContact CB-CG1 4.44Å; L969-I973 VanDerWaalsContact O-CG1 3.28Å; L969-I973 WeakPolarHBondContact O-CG1 3.42Å; L969-I973 PolarHBondContact O-N 2.99Å; F970-I973 HydrophobicContact CD1-CD1 3.4Å; F970-I973 VanDerWaalsContact CD1-CD1 3.4Å; F970-I973 HydrophobicContact CD1-CG1 4.49Å; F970-I973 HydrophobicContact CE1-CD1 3.51Å; F970-I973 PolarHBondContact O-N 3.39Å; F970-I973 VanDerWaalsContact O-N 3.13Å; I973-K975 VanDerWaalsContact C-N 3.26Å; I973-K975 PolarHBondContact O-N 2.91Å; I973-A979 HydrophobicContact CB-CB 4.46Å; I973-A979 HydrophobicContact CG1-CB 3.83Å; I973-F983 HydrophobicContact CD1-CB 3.71Å; I973-F983 HydrophobicContact CD1-CD1 4.39Å; I973-F983 HydrophobicContact CD1-CD2 3.88Å; I973-F983 HydrophobicContact CD1-CG 3.71Å; I973-F983 HydrophobicContact CG1-CB 4.48Å; I973-W1002 HydrophobicContact CB-CH2 3.72Å; I973-W1002 HydrophobicContact CB-CZ2 3.83Å; I973-W1002 HydrophobicContact CB-CZ3 4.35Å; I973-W1002 HydrophobicContact CG2-CH2 3.26Å; I973-W1002 HydrophobicContact CG2-CZ2 3.92Å; I973-W1002 HydrophobicContact CG2-CZ3 3.67Å; I973-L1017 HydrophobicContact CG2-CD2 3.17Å; I973-I1020 HydrophobicContact CB-CD1 4.33Å; I973-I1020 HydrophobicContact CD1-CD1 3.95Å; I973-I1020 HydrophobicContact CG1-CD1 3.98Å; I973-I1020 HydrophobicContact CG2-CD1 3.3Å |
| 974 | V | 66.7 | Low | 74.5 | Confident | 23 Ų | 23 | 32.5 Ų | 32.5 | 14% | 0.139 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -38.4 | 175.1 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | Y972 W1002 N1006 L1010 A1013 | Y972-V974 VanDerWaalsContact C-N 3.26Å; Y972-V974 PolarHBondContact O-N 2.89Å; V974-W1002 HydrophobicContact CB-CH2 4.2Å; V974-W1002 HydrophobicContact CB-CZ2 3.91Å; V974-W1002 HydrophobicContact CG2-CH2 3.37Å; V974-W1002 HydrophobicContact CG2-CZ2 2.97Å; V974-W1002 VanDerWaalsContact N-CZ2 3.27Å; V974-N1006 HydrophobicContact CG2-CB 4.21Å; V974-L1010 HydrophobicContact CB-CD2 4.29Å; V974-L1010 HydrophobicContact CG1-CD2 4.21Å; V974-L1010 HydrophobicContact CG2-CD2 3.41Å; V974-L1010 VanDerWaalsContact CG2-CD2 3.41Å; V974-L1010 HydrophobicContact CG2-CG 4.17Å; V974-A1013 HydrophobicContact CG1-CB 3.91Å; V974-A1013 WeakPolarHBondContact O-CB 3.34Å |
| 975 | K | 68.1 | Low | 75 | Confident | 120 Ų | 120 | 31.7 Ų | 31.7 | 52% | 0.522 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -13.4 | -167.4 | -59.8 | 176.8 | -176.5 | 171.2 | 0 | 112.9 | Y972 I973 | Y972-K975 CarbonylContact O-C 3.57Å; Y972-K975 PolarHBondContact O-N 3.47Å; I973-K975 VanDerWaalsContact C-N 3.26Å; I973-K975 PolarHBondContact O-N 2.91Å |
| 976 | S | 70.6 | Confident | 75.2 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | trans | -144.6 | 117.5 | -164.9 | -168.5 | 0 | 0 | 0 | 0 | 113.1 | D943 Y972 H978 A979 A980 | D943-S976 WeakPolarHBondContact OD1-CB 3.4Å; D943-S976 PolarHBondContact OD1-OG 3.18Å; Y972-S976 WeakPolarHBondContact O-CA 3.18Å; Y972-S976 WeakPolarHBondContact O-CB 3.37Å; Y972-S976 PolarHBondContact O-N 3.13Å; S976-H978 PolarHBondContact O-N 2.92Å; S976-H978 PolarHBondContact OG-N 3.35Å; S976-A979 PolarHBondContact O-N 3.15Å; S976-A979 PolarHBondContact OG-N 3.48Å; S976-A980 PolarHBondContact O-N 2.96Å | ||
| 977 | G | 69 | Low | 75.2 | Confident | 34 Ų | 34 | 33.6 Ų | 33.6 | 35% | 0.351 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.4 | -23.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A980 S981 | G977-A980 WeakPolarHBondContact O-CB 3.31Å; G977-S981 PolarHBondContact O-N 3.37Å; G977-S981 VanDerWaalsContact O-N 3.09Å |
| 978 | H | 79.1 | Confident | 75.3 | Confident | 75 Ų | 75 | 35.2 Ų | 35.2 | 35% | 0.347 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -81.1 | -38.4 | -176.5 | -59.9 | 96.6 | 0 | 0 | 0 | 112 | F946 K947 S976 A980 S981 L982 | F946-H978 HydrophobicContact CB-CB 3.87Å; K947-H978 WeakPolarHBondContact CE-CE1 3.34Å; K947-H978 HydrophobicContact CG-CB 3.89Å; K947-H978 WeakPolarHBondContact CG-CD2 3.47Å; S976-H978 PolarHBondContact O-N 2.92Å; S976-H978 PolarHBondContact OG-N 3.35Å; H978-A980 VanDerWaalsContact C-N 3.29Å; H978-A980 PolarHBondContact O-N 2.96Å; H978-S981 PolarHBondContact O-N 3.17Å; H978-L982 PolarHBondContact O-N 3.06Å |
| 979 | A | 77.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | F946 L969 I973 S976 S981 L982 F983 | F946-A979 HydrophobicContact CB-CB 4.46Å; F946-A979 HydrophobicContact CD1-CB 4.21Å; F946-A979 HydrophobicContact CD2-CB 3.53Å; F946-A979 HydrophobicContact CE1-CB 4.42Å; F946-A979 HydrophobicContact CE2-CB 3.84Å; F946-A979 HydrophobicContact CG-CB 3.77Å; F946-A979 HydrophobicContact CZ-CB 4.26Å; L969-A979 HydrophobicContact CD2-CB 3.87Å; L969-A979 WeakPolarHBondContact CD2-O 3.33Å; I973-A979 HydrophobicContact CB-CB 4.46Å; I973-A979 HydrophobicContact CG1-CB 3.83Å; S976-A979 PolarHBondContact O-N 3.15Å; S976-A979 PolarHBondContact OG-N 3.48Å; A979-S981 VanDerWaalsContact C-N 3.31Å; A979-S981 PolarHBondContact O-N 3.13Å; A979-L982 PolarHBondContact O-N 2.96Å; A979-F983 WeakPolarHBondContact O-CB 3.47Å; A979-F983 PolarHBondContact O-N 3.29Å |
| 980 | A | 76.1 | Confident | 75.2 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.3 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S976 G977 H978 F983 I984 I1016 I1020 | S976-A980 PolarHBondContact O-N 2.96Å; G977-A980 WeakPolarHBondContact O-CB 3.31Å; H978-A980 VanDerWaalsContact C-N 3.29Å; H978-A980 PolarHBondContact O-N 2.96Å; A980-F983 PolarHBondContact O-N 3.34Å; A980-I984 WeakPolarHBondContact O-CD1 3.47Å; A980-I984 VanDerWaalsContact O-CG1 3.32Å; A980-I984 WeakPolarHBondContact O-CG1 3.17Å; A980-I984 PolarHBondContact O-N 3.12Å; A980-I1016 HydrophobicContact CB-CG2 3.7Å; A980-I1020 VanDerWaalsContact CA-CD1 3.45Å; A980-I1020 HydrophobicContact CB-CD1 3.34Å; A980-I1020 HydrophobicContact CB-CG1 3.97Å |
| 981 | S | 76.4 | Confident | 74.6 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67 | -45.6 | 178.4 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | N950 G977 H978 A979 F983 I984 T985 | N950-S981 VanDerWaalsContact ND2-CB 3.35Å; N950-S981 WeakPolarHBondContact ND2-CB 3.48Å; N950-S981 PolarHBondContact ND2-OG 3.41Å; G977-S981 PolarHBondContact O-N 3.37Å; G977-S981 VanDerWaalsContact O-N 3.09Å; H978-S981 PolarHBondContact O-N 3.17Å; A979-S981 VanDerWaalsContact C-N 3.31Å; A979-S981 PolarHBondContact O-N 3.13Å; S981-F983 VanDerWaalsContact C-N 3.27Å; S981-F983 PolarHBondContact O-N 3.42Å; S981-I984 PolarHBondContact O-N 3.12Å; S981-T985 PolarHBondContact O-N 2.67Å; S981-T985 PolarHBondContact O-OG1 3.01Å |
| 982 | L | 80.9 | Confident | 75.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 177.6 | 175.6 | 60.1 | 0 | 0 | 0 | 111.3 | F932 F946 M949 N950 C953 L969 H978 A979 I984 T985 L986 | F932-L982 HydrophobicContact CD2-CD2 4.16Å; F932-L982 HydrophobicContact CE2-CD2 3.29Å; F932-L982 HydrophobicContact CZ-CD2 3.82Å; F946-L982 HydrophobicContact CD1-CD2 3.75Å; M949-L982 HydrophobicContact CB-CD1 4.27Å; M949-L982 HydrophobicContact CB-CD2 3.49Å; M949-L982 VanDerWaalsContact CB-CD2 3.49Å; N950-L982 HydrophobicContact CB-CB 3.94Å; N950-L982 HydrophobicContact CB-CD1 4.35Å; N950-L982 WeakPolarHBondContact OD1-CA 3.49Å; C953-L982 HydrophobicContact CB-CD1 4.2Å; L969-L982 HydrophobicContact CD1-CG 4.18Å; L969-L982 HydrophobicContact CD2-CB 3.91Å; L969-L982 HydrophobicContact CD2-CD2 3.86Å; L969-L982 HydrophobicContact CD2-CG 3.97Å; L969-L982 HydrophobicContact CG-CD2 4.46Å; H978-L982 PolarHBondContact O-N 3.06Å; A979-L982 PolarHBondContact O-N 2.96Å; L982-I984 VanDerWaalsContact C-N 3.32Å; L982-I984 PolarHBondContact O-N 3.16Å; L982-T985 PolarHBondContact O-N 2.93Å; L982-L986 HydrophobicContact CD1-CD1 3.8Å; L982-L986 HydrophobicContact CD1-CD2 4.42Å; L982-L986 HydrophobicContact CD1-CG 3.81Å; L982-L986 HydrophobicContact CG-CD1 3.9Å; L982-L986 HydrophobicContact CG-CG 4.31Å; L982-L986 WeakPolarHBondContact O-CB 2.82Å; L982-L986 WeakPolarHBondContact O-CG 3.45Å; L982-L986 PolarHBondContact O-N 3.45Å |
| 983 | F | 81.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 175.7 | 179.5 | -92.5 | 0 | 0 | 0 | 112.6 | T966 L969 F970 I973 A979 A980 S981 L986 Q987 M995 L999 I1020 N1024 | T966-F983 HydrophobicContact CG2-CD2 4.42Å; T966-F983 HydrophobicContact CG2-CE2 3.73Å; L969-F983 HydrophobicContact CB-CB 4.45Å; L969-F983 HydrophobicContact CB-CD2 4.3Å; L969-F983 VanDerWaalsContact CD1-CA 3.48Å; L969-F983 HydrophobicContact CD1-CB 3.74Å; L969-F983 HydrophobicContact CD1-CD2 4.01Å; L969-F983 HydrophobicContact CD1-CG 4.37Å; L969-F983 HydrophobicContact CD2-CB 4.4Å; L969-F983 HydrophobicContact CG-CB 4.46Å; F970-F983 AromaticContact CE1-CD2 3.74Å; F970-F983 HydrophobicContact CE1-CD2 3.74Å; F970-F983 AromaticContact CE1-CE2 3.45Å; F970-F983 HydrophobicContact CE1-CE2 3.45Å; F970-F983 VanDerWaalsContact CE1-CE2 3.45Å; F970-F983 HydrophobicContact CE1-CG 4.49Å; F970-F983 AromaticContact CE1-CZ 3.92Å; F970-F983 HydrophobicContact CE1-CZ 3.92Å; F970-F983 HydrophobicContact CE2-CE2 4.45Å; F970-F983 AromaticContact CZ-CD2 3.94Å; F970-F983 HydrophobicContact CZ-CD2 3.94Å; F970-F983 AromaticContact CZ-CE2 3.27Å; F970-F983 HydrophobicContact CZ-CE2 3.27Å; F970-F983 AromaticContact CZ-CZ 3.81Å; F970-F983 HydrophobicContact CZ-CZ 3.81Å; I973-F983 HydrophobicContact CD1-CB 3.71Å; I973-F983 HydrophobicContact CD1-CD1 4.39Å; I973-F983 HydrophobicContact CD1-CD2 3.88Å; I973-F983 HydrophobicContact CD1-CG 3.71Å; I973-F983 HydrophobicContact CG1-CB 4.48Å; A979-F983 WeakPolarHBondContact O-CB 3.47Å; A979-F983 PolarHBondContact O-N 3.29Å; A980-F983 PolarHBondContact O-N 3.34Å; S981-F983 VanDerWaalsContact C-N 3.27Å; S981-F983 PolarHBondContact O-N 3.42Å; F983-L986 PolarHBondContact O-N 2.87Å; F983-Q987 HydrophobicContact CE1-CB 4.46Å; F983-Q987 WeakPolarHBondContact O-CB 3.35Å; F983-Q987 PolarHBondContact O-N 2.86Å; F983-M995 HydrophobicContact CD2-CE 3.42Å; F983-M995 VanDerWaalsContact CD2-CE 3.42Å; F983-M995 HydrophobicContact CE2-CB 3.81Å; F983-M995 HydrophobicContact CE2-CE 3.67Å; F983-M995 HydrophobicContact CG-CE 4.17Å; F983-M995 HydrophobicContact CZ-CB 4.02Å; F983-M995 WeakPolarHBondContact CZ-O 3.24Å; F983-L999 HydrophobicContact CE1-CD2 4.29Å; F983-L999 HydrophobicContact CZ-CB 4.03Å; F983-L999 HydrophobicContact CZ-CD2 4.39Å; F983-I1020 HydrophobicContact CD1-CB 4.41Å; F983-I1020 HydrophobicContact CD1-CG1 4.25Å; F983-I1020 HydrophobicContact CD1-CG2 3.53Å; F983-I1020 HydrophobicContact CE1-CG2 3.46Å; F983-I1020 VanDerWaalsContact CE1-CG2 3.46Å; F983-I1020 HydrophobicContact CZ-CG2 4.42Å; F983-N1024 WeakPolarHBondContact CE1-ND2 3.38Å |
| 984 | I | 78.4 | Confident | 75.5 | Confident | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 177.9 | -64.7 | 164.5 | 0 | 0 | 0 | 111.2 | A980 S981 L982 L986 Q987 K988 P1019 I1020 L1023 | A980-I984 WeakPolarHBondContact O-CD1 3.47Å; A980-I984 VanDerWaalsContact O-CG1 3.32Å; A980-I984 WeakPolarHBondContact O-CG1 3.17Å; A980-I984 PolarHBondContact O-N 3.12Å; S981-I984 PolarHBondContact O-N 3.12Å; L982-I984 VanDerWaalsContact C-N 3.32Å; L982-I984 PolarHBondContact O-N 3.16Å; I984-L986 VanDerWaalsContact C-N 3.32Å; I984-L986 PolarHBondContact O-N 3.28Å; I984-Q987 PolarHBondContact O-N 3.34Å; I984-K988 HydrophobicContact CG2-CD 4.35Å; I984-K988 WeakPolarHBondContact O-CG 3.18Å; I984-K988 PolarHBondContact O-N 3.19Å; I984-P1019 HydrophobicContact CD1-CB 3.72Å; I984-I1020 HydrophobicContact CD1-CG1 4.12Å; I984-I1020 HydrophobicContact CG1-CG1 4.17Å; I984-L1023 HydrophobicContact CB-CD1 4.29Å; I984-L1023 HydrophobicContact CG1-CD1 3.89Å; I984-L1023 HydrophobicContact CG2-CD1 3.81Å |
| 985 | T | 79.5 | Confident | 76.2 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 178.4 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | N950 C953 S981 L982 A989 | N950-T985 PolarHBondContact OD1-OG1 3.44Å; C953-T985 HydrophobicContact CB-CG2 4.17Å; S981-T985 PolarHBondContact O-N 2.67Å; S981-T985 PolarHBondContact O-OG1 3.01Å; L982-T985 PolarHBondContact O-N 2.93Å; T985-A989 PolarHBondContact O-N 2.86Å |
| 986 | L | 81.1 | Confident | 76.5 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.2 | -39.2 | 178.5 | -66.3 | 177.3 | 0 | 0 | 0 | 112.3 | F932 C953 L960 L962 C965 L969 L982 F983 I984 K988 A989 D990 M995 | F932-L986 HydrophobicContact CZ-CD1 4.48Å; C953-L986 HydrophobicContact CB-CD2 4.42Å; L960-L986 HydrophobicContact CD1-CD2 3.86Å; L962-L986 HydrophobicContact CD2-CB 4.04Å; L962-L986 HydrophobicContact CD2-CD2 4.49Å; L962-L986 WeakPolarHBondContact CD2-O 3.46Å; C965-L986 HydrophobicContact CB-CD1 3.59Å; C965-L986 VanDerWaalsContact SG-CD1 3.57Å; L969-L986 HydrophobicContact CD1-CD1 3.91Å; L982-L986 HydrophobicContact CD1-CD1 3.8Å; L982-L986 HydrophobicContact CD1-CD2 4.42Å; L982-L986 HydrophobicContact CD1-CG 3.81Å; L982-L986 HydrophobicContact CG-CD1 3.9Å; L982-L986 HydrophobicContact CG-CG 4.31Å; L982-L986 WeakPolarHBondContact O-CB 2.82Å; L982-L986 WeakPolarHBondContact O-CG 3.45Å; L982-L986 PolarHBondContact O-N 3.45Å; F983-L986 PolarHBondContact O-N 2.87Å; I984-L986 VanDerWaalsContact C-N 3.32Å; I984-L986 PolarHBondContact O-N 3.28Å; L986-K988 PolarHBondContact O-N 3Å; L986-A989 CarbonylContact O-C 3.58Å; L986-A989 WeakPolarHBondContact O-CA 3.37Å; L986-A989 WeakPolarHBondContact O-CB 3.35Å; L986-A989 PolarHBondContact O-N 2.83Å; L986-D990 PolarHBondContact O-N 2.86Å; L986-M995 HydrophobicContact CB-CE 3.62Å; L986-M995 HydrophobicContact CB-SD 3.34Å; L986-M995 WeakPolarHBondContact CB-SD 3.41Å; L986-M995 HydrophobicContact CD1-CE 4.21Å |
| 987 | Q | 79.2 | Confident | 76.9 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -35.2 | 178.5 | -178.9 | 177.3 | 5.7 | 0 | 0 | 111.1 | F983 I984 A989 D990 M995 N1024 | F983-Q987 HydrophobicContact CE1-CB 4.46Å; F983-Q987 WeakPolarHBondContact O-CB 3.35Å; F983-Q987 PolarHBondContact O-N 2.86Å; I984-Q987 PolarHBondContact O-N 3.34Å; Q987-A989 VanDerWaalsContact C-N 3.3Å; Q987-A989 PolarHBondContact O-N 2.84Å; Q987-D990 WeakPolarHBondContact O-CB 3.44Å; Q987-D990 PolarHBondContact O-N 3.18Å; Q987-D990 VanDerWaalsContact O-N 3.11Å; Q987-M995 VanDerWaalsContact CA-SD 3.53Å; Q987-M995 HydrophobicContact CB-CB 4.29Å; Q987-M995 HydrophobicContact CB-SD 4.11Å; Q987-M995 HydrophobicContact CG-CB 4.39Å; Q987-M995 PolarHBondContact N-SD 3.12Å; Q987-N1024 PolarHBondContact NE2-ND2 3.42Å; Q987-N1024 PolarHBondContact NE2-OD1 3.03Å; Q987-N1024 PolarHBondContact OE1-ND2 2.94Å |
| 988 | K | 75.9 | Confident | 77.3 | Confident | 165 Ų | 165 | 59 Ų | 59 | 72% | 0.717 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.5 | -31.5 | 173 | -73.6 | 173.1 | -178.7 | 173.4 | 0 | 112.8 | I984 L986 D990 | I984-K988 HydrophobicContact CG2-CD 4.35Å; I984-K988 WeakPolarHBondContact O-CG 3.18Å; I984-K988 PolarHBondContact O-N 3.19Å; L986-K988 PolarHBondContact O-N 3Å; K988-D990 VanDerWaalsContact C-N 3.29Å |
| 989 | A | 74.3 | Confident | 77.3 | Confident | 65 Ų | 65 | 55.4 Ų | 55.4 | 54% | 0.537 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -77.5 | -16.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T985 L986 Q987 R991 | T985-A989 PolarHBondContact O-N 2.86Å; L986-A989 CarbonylContact O-C 3.58Å; L986-A989 WeakPolarHBondContact O-CA 3.37Å; L986-A989 WeakPolarHBondContact O-CB 3.35Å; L986-A989 PolarHBondContact O-N 2.83Å; Q987-A989 VanDerWaalsContact C-N 3.3Å; Q987-A989 PolarHBondContact O-N 2.84Å; A989-R991 PolarHBondContact O-N 2.89Å |
| 990 | D | 76.1 | Confident | 76.8 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 10% | 0.096 | 27% | 0.273 | C | S | . | . | trans | -77.7 | 98.9 | -175.8 | -174 | 10.2 | 0 | 0 | 0 | 114.3 | L962 L986 Q987 K988 K992 G993 I994 M995 | L962-D990 HydrophobicContact CB-CB 4.35Å; L962-D990 HydrophobicContact CD1-CB 3.71Å; L962-D990 HydrophobicContact CD2-CB 4.1Å; L962-D990 HydrophobicContact CG-CB 4.25Å; L986-D990 PolarHBondContact O-N 2.86Å; Q987-D990 WeakPolarHBondContact O-CB 3.44Å; Q987-D990 PolarHBondContact O-N 3.18Å; Q987-D990 VanDerWaalsContact O-N 3.11Å; K988-D990 VanDerWaalsContact C-N 3.29Å; D990-K992 VanDerWaalsContact C-N 3.35Å; D990-K992 WeakPolarHBondContact OD1-CA 3.26Å; D990-K992 PolarHBondContact OD1-N 3.38Å; D990-G993 VanDerWaalsContact CG-N 3.32Å; D990-G993 PolarHBondContact OD1-N 3.24Å; D990-G993 VanDerWaalsContact OD2-C 3.27Å; D990-G993 WeakPolarHBondContact OD2-CA 3.22Å; D990-G993 PolarHBondContact OD2-N 2.93Å; D990-I994 PolarHBondContact OD2-N 3.14Å; D990-M995 HydrophobicContact CB-CG 3.98Å; D990-M995 HydrophobicContact CB-SD 4.45Å; D990-M995 WeakPolarHBondContact OD2-CG 3.46Å; D990-M995 PolarHBondContact OD2-N 3.37Å | ||
| 991 | R | 66.5 | Low | 76.6 | Confident | 246 Ų | 246 | 61.1 Ų | 61.1 | 93% | 0.928 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -75 | -18.6 | 173.5 | -61.6 | -172.8 | -174.5 | -179.4 | 4.3 | 114.3 | A989 | A989-R991 PolarHBondContact O-N 2.89Š|
| 992 | K | 74.8 | Confident | 76.7 | Confident | 180 Ų | 180 | 59.7 Ų | 59.7 | 78% | 0.783 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -95.9 | -10.5 | -176.1 | -72.7 | -177 | 178.8 | 180 | 0 | 112.9 | D990 I994 | D990-K992 VanDerWaalsContact C-N 3.35Å; D990-K992 WeakPolarHBondContact OD1-CA 3.26Å; D990-K992 PolarHBondContact OD1-N 3.38Å; K992-I994 HydrophobicContact CB-CD1 3.77Å; K992-I994 HydrophobicContact CB-CG1 3.6Å; K992-I994 HydrophobicContact CD-CD1 3.85Å; K992-I994 HydrophobicContact CG-CD1 4.48Å; K992-I994 PolarHBondContact O-N 3.43Å |
| 993 | G | 75.9 | Confident | 76.2 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | trans | 67.3 | 24 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D990 | D990-G993 VanDerWaalsContact CG-N 3.32Å; D990-G993 PolarHBondContact OD1-N 3.24Å; D990-G993 VanDerWaalsContact OD2-C 3.27Å; D990-G993 WeakPolarHBondContact OD2-CA 3.22Å; D990-G993 PolarHBondContact OD2-N 2.93Å | ||
| 994 | I | 77.6 | Confident | 75.2 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 21% | 0.205 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.8 | -40 | -178.5 | -49.6 | 175.8 | 0 | 0 | 0 | 110.5 | T963 D990 K992 K996 R997 L998 | T963-I994 HydrophobicContact CG2-CG2 3.5Å; T963-I994 VanDerWaalsContact OG1-CD1 3.22Å; T963-I994 WeakPolarHBondContact OG1-CD1 3.44Å; D990-I994 PolarHBondContact OD2-N 3.14Å; K992-I994 HydrophobicContact CB-CD1 3.77Å; K992-I994 HydrophobicContact CB-CG1 3.6Å; K992-I994 HydrophobicContact CD-CD1 3.85Å; K992-I994 HydrophobicContact CG-CD1 4.48Å; K992-I994 PolarHBondContact O-N 3.43Å; I994-K996 PolarHBondContact O-N 3.04Å; I994-R997 PolarHBondContact O-N 3.48Å; I994-R997 VanDerWaalsContact O-N 3.12Å; I994-L998 HydrophobicContact CG2-CD1 4.15Å |
| 995 | M | 81 | Confident | 74.7 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.8 | -35.6 | -177.4 | -55.5 | -154.1 | 61.3 | 0 | 0 | 112.2 | L962 C965 T966 L969 F983 L986 Q987 D990 | L962-M995 HydrophobicContact CB-CG 3.98Å; L962-M995 HydrophobicContact CB-SD 4.35Å; L962-M995 HydrophobicContact CD2-CG 4.47Å; L962-M995 HydrophobicContact CD2-SD 3.86Å; C965-M995 HydrophobicContact CB-CE 4.34Å; T966-M995 HydrophobicContact CG2-CB 4.24Å; T966-M995 WeakPolarHBondContact CG2-O 3.38Å; T966-M995 WeakPolarHBondContact OG1-CA 3.27Å; T966-M995 WeakPolarHBondContact OG1-CB 3.26Å; T966-M995 WeakPolarHBondContact OG1-CE 3.31Å; T966-M995 WeakPolarHBondContact OG1-CG 3.42Å; L969-M995 HydrophobicContact CD1-CE 3.77Å; F983-M995 HydrophobicContact CD2-CE 3.42Å; F983-M995 VanDerWaalsContact CD2-CE 3.42Å; F983-M995 HydrophobicContact CE2-CB 3.81Å; F983-M995 HydrophobicContact CE2-CE 3.67Å; F983-M995 HydrophobicContact CG-CE 4.17Å; F983-M995 HydrophobicContact CZ-CB 4.02Å; F983-M995 WeakPolarHBondContact CZ-O 3.24Å; L986-M995 HydrophobicContact CB-CE 3.62Å; L986-M995 HydrophobicContact CB-SD 3.34Å; L986-M995 WeakPolarHBondContact CB-SD 3.41Å; L986-M995 HydrophobicContact CD1-CE 4.21Å; Q987-M995 VanDerWaalsContact CA-SD 3.53Å; Q987-M995 HydrophobicContact CB-CB 4.29Å; Q987-M995 HydrophobicContact CB-SD 4.11Å; Q987-M995 HydrophobicContact CG-CB 4.39Å; Q987-M995 PolarHBondContact N-SD 3.12Å; D990-M995 HydrophobicContact CB-CG 3.98Å; D990-M995 HydrophobicContact CB-SD 4.45Å; D990-M995 WeakPolarHBondContact OD2-CG 3.46Å; D990-M995 PolarHBondContact OD2-N 3.37Å |
| 996 | K | 76.1 | Confident | 74.1 | Confident | 56 Ų | 56 | 67.1 Ų | 67.1 | 24% | 0.243 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 177.5 | 177.1 | 168.1 | -175.7 | 173.6 | 0 | 112.9 | I994 L998 L999 I1000 N1024 D1026 | I994-K996 PolarHBondContact O-N 3.04Å; K996-L998 PolarHBondContact O-N 3.2Å; K996-L998 VanDerWaalsContact O-N 3.11Å; K996-L999 PolarHBondContact O-N 3.24Å; K996-I1000 HydrophobicContact CG-CD1 4.15Å; K996-I1000 WeakPolarHBondContact O-CD1 3.36Å; K996-I1000 WeakPolarHBondContact O-CG1 3.36Å; K996-N1024 WeakPolarHBondContact CA-OD1 3.41Å; K996-N1024 WeakPolarHBondContact CB-OD1 3.26Å; K996-N1024 HydrophobicContact CG-CB 4.38Å; K996-N1024 WeakPolarHBondContact CG-OD1 3.42Å; K996-D1026 IonicContact NZ-OD2 2.66Å; K996-D1026 PolarHBondContact NZ-OD2 3.43Å |
| 997 | R | 77.2 | Confident | 73.2 | Confident | 182 Ų | 182 | 67.7 Ų | 67.7 | 69% | 0.687 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -54.3 | -37.2 | -177 | 174.1 | 174.6 | -76 | -179.6 | -4.9 | 112.4 | I994 I1000 | I994-R997 PolarHBondContact O-N 3.48Å; I994-R997 VanDerWaalsContact O-N 3.12Å; R997-I1000 WeakPolarHBondContact O-CB 3.31Å |
| 998 | L | 77.1 | Confident | 72.5 | Confident | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -89.2 | -30 | -163.6 | -64.3 | 163.3 | 0 | 0 | 0 | 110.9 | T963 T966 R967 F970 I994 K996 I1000 E1001 W1002 | T963-L998 HydrophobicContact CG2-CD1 4.28Å; T963-L998 WeakPolarHBondContact O-CD1 3.23Å; T966-L998 HydrophobicContact CG2-CB 3.44Å; T966-L998 VanDerWaalsContact CG2-CB 3.44Å; T966-L998 HydrophobicContact CG2-CD1 3.51Å; T966-L998 HydrophobicContact CG2-CG 4.11Å; R967-L998 HydrophobicContact CG-CB 4.36Å; R967-L998 HydrophobicContact CG-CD1 3.55Å; R967-L998 HydrophobicContact CG-CD2 3.87Å; R967-L998 HydrophobicContact CG-CG 4.13Å; F970-L998 HydrophobicContact CD2-CB 4.2Å; F970-L998 WeakPolarHBondContact CD2-O 3.11Å; F970-L998 HydrophobicContact CE2-CB 3.39Å; F970-L998 VanDerWaalsContact CE2-O 3.23Å; F970-L998 WeakPolarHBondContact CE2-O 3.33Å; F970-L998 HydrophobicContact CZ-CB 4.25Å; I994-L998 HydrophobicContact CG2-CD1 4.15Å; K996-L998 PolarHBondContact O-N 3.2Å; K996-L998 VanDerWaalsContact O-N 3.11Å; L998-I1000 PolarHBondContact O-N 3.37Å; L998-E1001 PolarHBondContact O-N 3.03Å; L998-W1002 PolarHBondContact O-N 2.85Å |
| 999 | L | 79.4 | Confident | 71.7 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.1 | -36 | 178.5 | 174.8 | 72.5 | 0 | 0 | 0 | 111.1 | F970 F983 K996 W1002 A1003 I1020 F1021 N1024 F1032 | F970-L999 HydrophobicContact CD1-CB 4.31Å; F970-L999 HydrophobicContact CD1-CD1 3.59Å; F970-L999 HydrophobicContact CD1-CG 4.49Å; F970-L999 HydrophobicContact CE1-CB 3.37Å; F970-L999 HydrophobicContact CE1-CD1 3.16Å; F970-L999 HydrophobicContact CE1-CG 3.79Å; F970-L999 HydrophobicContact CE2-CB 4.05Å; F970-L999 HydrophobicContact CZ-CB 3.2Å; F970-L999 HydrophobicContact CZ-CD1 4Å; F970-L999 HydrophobicContact CZ-CG 4.15Å; F983-L999 HydrophobicContact CE1-CD2 4.29Å; F983-L999 HydrophobicContact CZ-CB 4.03Å; F983-L999 HydrophobicContact CZ-CD2 4.39Å; K996-L999 PolarHBondContact O-N 3.24Å; L999-W1002 HydrophobicContact CD1-CE3 3.61Å; L999-W1002 HydrophobicContact CD1-CZ3 3.85Å; L999-W1002 WeakPolarHBondContact O-CB 3.24Å; L999-W1002 PolarHBondContact O-N 3.3Å; L999-W1002 VanDerWaalsContact O-N 3.13Å; L999-A1003 PolarHBondContact O-N 3.44Å; L999-I1020 HydrophobicContact CD1-CG2 3.41Å; L999-I1020 VanDerWaalsContact CD1-CG2 3.41Å; L999-I1020 HydrophobicContact CD2-CB 4.49Å; L999-I1020 HydrophobicContact CD2-CG2 3.24Å; L999-I1020 HydrophobicContact CG-CG2 3.94Å; L999-F1021 HydrophobicContact CD1-CD1 4.4Å; L999-F1021 HydrophobicContact CD1-CE1 4.16Å; L999-F1021 HydrophobicContact CD2-CD1 4.21Å; L999-N1024 HydrophobicContact CD2-CB 3.17Å; L999-N1024 WeakPolarHBondContact CD2-ND2 3.38Å; L999-N1024 HydrophobicContact CG-CB 4.4Å; L999-F1032 HydrophobicContact CD1-CE2 4.33Å; L999-F1032 HydrophobicContact CD2-CE2 4.18Å; L999-F1032 HydrophobicContact CD2-CZ 3.64Å; L999-F1032 HydrophobicContact CG-CE2 3.7Å; L999-F1032 HydrophobicContact CG-CZ 3.69Å; L999-F1032 WeakPolarHBondContact O-CD2 3.06Å; L999-F1032 WeakPolarHBondContact O-CE2 3.36Å |
| 1000 | I | 67.8 | Low | 71.4 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 11% | 0.108 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | -175.8 | -63.5 | 171 | 0 | 0 | 0 | 110.7 | K996 R997 L998 V1004 C1027 N1029 F1032 | K996-I1000 HydrophobicContact CG-CD1 4.15Å; K996-I1000 WeakPolarHBondContact O-CD1 3.36Å; K996-I1000 WeakPolarHBondContact O-CG1 3.36Å; R997-I1000 WeakPolarHBondContact O-CB 3.31Å; L998-I1000 PolarHBondContact O-N 3.37Å; I1000-V1004 WeakPolarHBondContact O-CG2 3.48Å; I1000-C1027 HydrophobicContact CB-CB 3.94Å; I1000-C1027 HydrophobicContact CD1-CB 3.11Å; I1000-C1027 HydrophobicContact CG1-CB 3.18Å; I1000-C1027 HydrophobicContact CG2-CB 3.52Å; I1000-N1029 HydrophobicContact CG2-CB 3.12Å; I1000-N1029 PolarHBondContact O-ND2 3.37Å; I1000-F1032 WeakPolarHBondContact O-CD2 3.24Å |
| 1001 | E | 70.7 | Confident | 70.6 | Confident | 103 Ų | 103 | 65 Ų | 65 | 48% | 0.481 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 173.9 | -71.7 | 168.4 | 177.2 | 0 | 0 | 111 | L998 E1005 | L998-E1001 PolarHBondContact O-N 3.03Å; E1001-E1005 PolarHBondContact O-N 3.35Å |
| 1002 | W | 79.1 | Confident | 70.3 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 7% | 0.072 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.2 | -49.6 | -171.8 | 169 | 73.9 | 0 | 0 | 0 | 113.4 | F970 I973 V974 L998 L999 V1004 E1005 N1006 L1010 L1017 F1021 | F970-W1002 HydrophobicContact CB-CB 3.83Å; F970-W1002 VanDerWaalsContact CB-CD1 3.46Å; F970-W1002 HydrophobicContact CB-CD2 3.78Å; F970-W1002 HydrophobicContact CB-CG 3.37Å; F970-W1002 HydrophobicContact CD1-CB 4.08Å; F970-W1002 AromaticContact CD1-CD2 3.77Å; F970-W1002 HydrophobicContact CD1-CD2 3.77Å; F970-W1002 AromaticContact CD1-CE3 3.83Å; F970-W1002 HydrophobicContact CD1-CE3 3.83Å; F970-W1002 AromaticContact CD1-CG 3.94Å; F970-W1002 HydrophobicContact CD1-CG 3.94Å; F970-W1002 HydrophobicContact CD2-CB 3.68Å; F970-W1002 HydrophobicContact CD2-CG 4.13Å; F970-W1002 HydrophobicContact CE2-CB 4.47Å; F970-W1002 HydrophobicContact CG-CB 3.52Å; F970-W1002 AromaticContact CG-CD2 3.82Å; F970-W1002 HydrophobicContact CG-CD2 3.82Å; F970-W1002 HydrophobicContact CG-CE3 4.33Å; F970-W1002 AromaticContact CG-CG 3.49Å; F970-W1002 HydrophobicContact CG-CG 3.49Å; F970-W1002 VanDerWaalsContact CG-CG 3.49Å; F970-W1002 WeakPolarHBondContact O-CZ2 3.39Å; F970-W1002 PolarHBondContact O-NE1 2.85Å; I973-W1002 HydrophobicContact CB-CH2 3.72Å; I973-W1002 HydrophobicContact CB-CZ2 3.83Å; I973-W1002 HydrophobicContact CB-CZ3 4.35Å; I973-W1002 HydrophobicContact CG2-CH2 3.26Å; I973-W1002 HydrophobicContact CG2-CZ2 3.92Å; I973-W1002 HydrophobicContact CG2-CZ3 3.67Å; V974-W1002 HydrophobicContact CB-CH2 4.2Å; V974-W1002 HydrophobicContact CB-CZ2 3.91Å; V974-W1002 HydrophobicContact CG2-CH2 3.37Å; V974-W1002 HydrophobicContact CG2-CZ2 2.97Å; V974-W1002 VanDerWaalsContact N-CZ2 3.27Å; L998-W1002 PolarHBondContact O-N 2.85Å; L999-W1002 HydrophobicContact CD1-CE3 3.61Å; L999-W1002 HydrophobicContact CD1-CZ3 3.85Å; L999-W1002 WeakPolarHBondContact O-CB 3.24Å; L999-W1002 PolarHBondContact O-N 3.3Å; L999-W1002 VanDerWaalsContact O-N 3.13Å; W1002-V1004 PolarHBondContact O-N 3.29Å; W1002-E1005 PolarHBondContact O-N 3.39Å; W1002-N1006 VanDerWaalsContact CD1-ND2 3.28Å; W1002-N1006 PolarHBondContact NE1-ND2 3.46Å; W1002-N1006 PolarHBondContact O-N 3.09Å; W1002-N1006 PolarHBondContact O-ND2 3.36Å; W1002-L1010 HydrophobicContact CH2-CD2 3.5Å; W1002-L1010 VanDerWaalsContact CH2-CD2 3.5Å; W1002-L1010 HydrophobicContact CZ2-CD2 4.25Å; W1002-L1010 HydrophobicContact CZ3-CD2 3.78Å; W1002-L1017 HydrophobicContact CH2-CD2 3.63Å; W1002-L1017 HydrophobicContact CZ3-CD2 3.85Å; W1002-F1021 HydrophobicContact CZ3-CE1 4.05Å; W1002-F1021 HydrophobicContact CZ3-CZ 4.29Å |
| 1003 | A | 71.7 | Confident | 69.9 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.2 | -22.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L999 N1006 S1007 L1010 F1021 F1032 | L999-A1003 PolarHBondContact O-N 3.44Å; A1003-N1006 CarbonylContact O-C 3.58Å; A1003-N1006 PolarHBondContact O-N 2.98Å; A1003-S1007 PolarHBondContact O-N 3.03Å; A1003-S1007 VanDerWaalsContact O-N 3.07Å; A1003-L1010 HydrophobicContact CB-CD1 3.54Å; A1003-L1010 HydrophobicContact CB-CD2 4.31Å; A1003-L1010 WeakPolarHBondContact O-CD1 3.25Å; A1003-F1021 HydrophobicContact CB-CE1 3.55Å; A1003-F1021 HydrophobicContact CB-CZ 3.54Å; A1003-F1032 HydrophobicContact CB-CD2 3.17Å; A1003-F1032 HydrophobicContact CB-CE2 3.2Å; A1003-F1032 HydrophobicContact CB-CG 4.3Å; A1003-F1032 HydrophobicContact CB-CZ 4.4Å |
| 1004 | V | 60.4 | Low | 69.4 | Low | 22 Ų | 22 | 51.5 Ų | 51.5 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.9 | -54.3 | 169.6 | 165 | 0 | 0 | 0 | 0 | 111.7 | I1000 W1002 N1006 S1007 N1029 D1031 F1032 | I1000-V1004 WeakPolarHBondContact O-CG2 3.48Å; W1002-V1004 PolarHBondContact O-N 3.29Å; V1004-N1006 PolarHBondContact O-N 3.31Å; V1004-N1006 VanDerWaalsContact O-N 3.12Å; V1004-S1007 WeakPolarHBondContact O-CB 3.34Å; V1004-S1007 PolarHBondContact O-N 3.05Å; V1004-S1007 VanDerWaalsContact O-N 3.14Å; V1004-N1029 HydrophobicContact CG2-CB 4.05Å; V1004-N1029 WeakPolarHBondContact CG2-ND2 3.42Å; V1004-N1029 WeakPolarHBondContact CG2-OD1 3.4Å; V1004-D1031 HydrophobicContact CB-CB 3.61Å; V1004-D1031 HydrophobicContact CG1-CB 3.15Å; V1004-D1031 WeakPolarHBondContact CG1-OD2 3.41Å; V1004-D1031 HydrophobicContact CG2-CB 3.66Å; V1004-F1032 VanDerWaalsContact CG2-CA 3.46Å; V1004-F1032 HydrophobicContact CG2-CB 3.53Å |
| 1005 | E | 67.2 | Low | 69 | Low | 161 Ų | 161 | 54.4 Ų | 54.4 | 75% | 0.752 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.4 | -19.2 | -178.9 | -71.5 | -179.7 | 166.6 | 0 | 0 | 112.2 | E1001 W1002 | E1001-E1005 PolarHBondContact O-N 3.35Å; W1002-E1005 PolarHBondContact O-N 3.39Å |
| 1006 | N | 67.5 | Low | 68.4 | Low | 47 Ų | 47 | 57.3 Ų | 57.3 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 14 | -175.8 | -69.1 | -78.3 | 0 | 0 | 0 | 112.1 | V974 W1002 A1003 V1004 D1008 S1009 L1010 | V974-N1006 HydrophobicContact CG2-CB 4.21Å; W1002-N1006 VanDerWaalsContact CD1-ND2 3.28Å; W1002-N1006 PolarHBondContact NE1-ND2 3.46Å; W1002-N1006 PolarHBondContact O-N 3.09Å; W1002-N1006 PolarHBondContact O-ND2 3.36Å; A1003-N1006 CarbonylContact O-C 3.58Å; A1003-N1006 PolarHBondContact O-N 2.98Å; V1004-N1006 PolarHBondContact O-N 3.31Å; V1004-N1006 VanDerWaalsContact O-N 3.12Å; N1006-D1008 PolarHBondContact O-N 3.34Å; N1006-S1009 WeakPolarHBondContact CA-OG 3.29Å; N1006-S1009 WeakPolarHBondContact CB-OG 3.27Å; N1006-S1009 WeakPolarHBondContact O-CA 3.39Å; N1006-S1009 PolarHBondContact O-N 3.5Å; N1006-S1009 PolarHBondContact O-OG 2.98Å; N1006-L1010 VanDerWaalsContact C-CD1 3.43Å; N1006-L1010 HydrophobicContact CB-CD1 3.8Å; N1006-L1010 HydrophobicContact CB-CD2 4.29Å; N1006-L1010 HydrophobicContact CB-CG 3.88Å; N1006-L1010 WeakPolarHBondContact O-CD1 3.5Å; N1006-L1010 WeakPolarHBondContact O-CG 3.35Å; N1006-L1010 PolarHBondContact O-N 3.4Å; N1006-L1010 VanDerWaalsContact O-N 3.08Å |
| 1007 | S | 61.6 | Low | 68.3 | Low | 22 Ų | 22 | 54.7 Ų | 54.7 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -40.5 | -172.3 | 62.7 | 0 | 0 | 0 | 0 | 115.5 | A1003 V1004 T1035 | A1003-S1007 PolarHBondContact O-N 3.03Å; A1003-S1007 VanDerWaalsContact O-N 3.07Å; V1004-S1007 WeakPolarHBondContact O-CB 3.34Å; V1004-S1007 PolarHBondContact O-N 3.05Å; V1004-S1007 VanDerWaalsContact O-N 3.14Å; S1007-T1035 WeakPolarHBondContact CA-OG1 3.45Å; S1007-T1035 WeakPolarHBondContact CB-OG1 3.31Å |
| 1008 | D | 65.6 | Low | 68.3 | Low | 119 Ų | 119 | 46.8 Ų | 46.8 | 64% | 0.636 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -18.9 | -176.9 | -61.5 | -21.6 | 0 | 0 | 0 | 112.9 | N1006 R1038 | N1006-D1008 PolarHBondContact O-N 3.34Å; D1008-R1038 IonicContact OD1-CZ 3.14Å; D1008-R1038 IonicContact OD1-NH1 3.36Å; D1008-R1038 PolarHBondContact OD1-NH1 3.21Å; D1008-R1038 IonicContact OD1-NH2 3.13Å |
| 1009 | S | 57.1 | Low | 68.2 | Low | 46 Ų | 46 | 49 Ų | 49 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -22.1 | -172.9 | 70.7 | 0 | 0 | 0 | 0 | 114 | N1006 | N1006-S1009 WeakPolarHBondContact CA-OG 3.29Å; N1006-S1009 WeakPolarHBondContact CB-OG 3.27Å; N1006-S1009 WeakPolarHBondContact O-CA 3.39Å; N1006-S1009 PolarHBondContact O-N 3.5Å; N1006-S1009 PolarHBondContact O-OG 2.98Å |
| 1010 | L | 68.5 | Low | 68.1 | Low | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -72.4 | -24.4 | -177.9 | -65.6 | 152.8 | 0 | 0 | 0 | 116.1 | V974 W1002 A1003 N1006 L1012 A1013 A1014 L1017 F1021 T1035 L1039 | V974-L1010 HydrophobicContact CB-CD2 4.29Å; V974-L1010 HydrophobicContact CG1-CD2 4.21Å; V974-L1010 HydrophobicContact CG2-CD2 3.41Å; V974-L1010 VanDerWaalsContact CG2-CD2 3.41Å; V974-L1010 HydrophobicContact CG2-CG 4.17Å; W1002-L1010 HydrophobicContact CH2-CD2 3.5Å; W1002-L1010 VanDerWaalsContact CH2-CD2 3.5Å; W1002-L1010 HydrophobicContact CZ2-CD2 4.25Å; W1002-L1010 HydrophobicContact CZ3-CD2 3.78Å; A1003-L1010 HydrophobicContact CB-CD1 3.54Å; A1003-L1010 HydrophobicContact CB-CD2 4.31Å; A1003-L1010 WeakPolarHBondContact O-CD1 3.25Å; N1006-L1010 VanDerWaalsContact C-CD1 3.43Å; N1006-L1010 HydrophobicContact CB-CD1 3.8Å; N1006-L1010 HydrophobicContact CB-CD2 4.29Å; N1006-L1010 HydrophobicContact CB-CG 3.88Å; N1006-L1010 WeakPolarHBondContact O-CD1 3.5Å; N1006-L1010 WeakPolarHBondContact O-CG 3.35Å; N1006-L1010 PolarHBondContact O-N 3.4Å; N1006-L1010 VanDerWaalsContact O-N 3.08Å; L1010-L1012 PolarHBondContact O-N 2.75Å; L1010-L1012 VanDerWaalsContact O-N 3.09Å; L1010-A1013 CarbonylContact O-C 3.57Å; L1010-A1013 WeakPolarHBondContact O-CA 3.41Å; L1010-A1013 PolarHBondContact O-N 3.48Å; L1010-A1014 PolarHBondContact O-N 3.14Å; L1010-L1017 HydrophobicContact CB-CD1 3.99Å; L1010-L1017 HydrophobicContact CD2-CD1 3.32Å; L1010-L1017 HydrophobicContact CD2-CD2 4.28Å; L1010-L1017 HydrophobicContact CD2-CG 4.44Å; L1010-L1017 HydrophobicContact CG-CD1 4.22Å; L1010-F1021 HydrophobicContact CD2-CZ 4.19Å; L1010-T1035 HydrophobicContact CB-CG2 4.08Å; L1010-T1035 HydrophobicContact CD1-CG2 3.09Å; L1010-T1035 HydrophobicContact CG-CG2 4.22Å; L1010-L1039 VanDerWaalsContact C-CD1 3.48Å; L1010-L1039 HydrophobicContact CB-CD1 3.54Å; L1010-L1039 HydrophobicContact CB-CD2 4.31Å; L1010-L1039 HydrophobicContact CB-CG 4.5Å |
| 1011 | P | 60.5 | Low | 68.6 | Low | 57 Ų | 57 | 48 Ų | 48 | 37% | 0.37 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -51.9 | -33.4 | 179.3 | -30.1 | 35.3 | 0 | 0 | 0 | 113.7 | A1013 L1039 | P1011-A1013 PolarHBondContact O-N 3.45Å; P1011-L1039 HydrophobicContact CB-CD1 4.35Å; P1011-L1039 HydrophobicContact CG-CD1 3.88Å |
| 1012 | L | 59.8 | Low | 68.6 | Low | 171 Ų | 171 | 47.6 Ų | 47.6 | 90% | 0.895 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -68.3 | -15.7 | 176.2 | -69.7 | 159.7 | 0 | 0 | 0 | 113.7 | L1010 | L1010-L1012 PolarHBondContact O-N 2.75Å; L1010-L1012 VanDerWaalsContact O-N 3.09Å |
| 1013 | A | 65.4 | Low | 68.3 | Low | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -119.8 | 15 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | V974 L1010 P1011 D1015 I1016 L1017 | V974-A1013 HydrophobicContact CG1-CB 3.91Å; V974-A1013 WeakPolarHBondContact O-CB 3.34Å; L1010-A1013 CarbonylContact O-C 3.57Å; L1010-A1013 WeakPolarHBondContact O-CA 3.41Å; L1010-A1013 PolarHBondContact O-N 3.48Å; P1011-A1013 PolarHBondContact O-N 3.45Å; A1013-D1015 VanDerWaalsContact C-N 3.33Å; A1013-D1015 PolarHBondContact O-N 2.83Å; A1013-I1016 WeakPolarHBondContact O-CB 3.43Å; A1013-I1016 PolarHBondContact O-N 3.28Å; A1013-L1017 HydrophobicContact CB-CD1 3.77Å; A1013-L1017 HydrophobicContact CB-CG 4.22Å; A1013-L1017 WeakPolarHBondContact O-CD1 3.43Å; A1013-L1017 VanDerWaalsContact O-CG 3.25Å; A1013-L1017 WeakPolarHBondContact O-CG 3.36Å; A1013-L1017 PolarHBondContact O-N 2.91Å |
| 1014 | A | 67.2 | Low | 68.3 | Low | 6 Ų | 6 | 50 Ų | 50 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.9 | -42.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1010 I1016 L1017 L1018 L1039 Y1040 | L1010-A1014 PolarHBondContact O-N 3.14Å; A1014-I1016 PolarHBondContact O-N 3.48Å; A1014-L1017 PolarHBondContact O-N 2.84Å; A1014-L1018 PolarHBondContact O-N 3.21Å; A1014-L1039 HydrophobicContact CB-CB 4.12Å; A1014-L1039 HydrophobicContact CB-CD2 3.46Å; A1014-L1039 VanDerWaalsContact CB-CD2 3.46Å; A1014-L1039 HydrophobicContact CB-CG 3.63Å; A1014-Y1040 HydrophobicContact CB-CE1 4.24Å; A1014-Y1040 WeakPolarHBondContact O-CE1 3.41Å; A1014-Y1040 PolarHBondContact O-OH 2.91Å |
| 1015 | D | 68.2 | Low | 68.4 | Low | 101 Ų | 101 | 49.5 Ų | 49.5 | 54% | 0.54 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 176.8 | -75.6 | -59.8 | 0 | 0 | 0 | 113.6 | A1013 L1017 L1018 R1043 | A1013-D1015 VanDerWaalsContact C-N 3.33Å; A1013-D1015 PolarHBondContact O-N 2.83Å; D1015-L1017 PolarHBondContact O-N 3.4Å; D1015-L1018 PolarHBondContact O-N 3.02Å; D1015-R1043 VanDerWaalsContact CG-NH1 3.29Å; D1015-R1043 IonicContact OD1-CZ 2.83Å; D1015-R1043 IonicContact OD1-NH1 3.4Å; D1015-R1043 PolarHBondContact OD1-NH1 3.34Å; D1015-R1043 IonicContact OD1-NH2 3.86Å; D1015-R1043 IonicContact OD2-CZ 2.86Å; D1015-R1043 IonicContact OD2-NH1 3.86Å; D1015-R1043 PolarHBondContact OD2-NH1 2.85Å; D1015-R1043 IonicContact OD2-NH2 3.16Å; D1015-R1043 PolarHBondContact OD2-NH2 3.46Å |
| 1016 | I | 68 | Low | 67.9 | Low | 62 Ų | 62 | 47 Ų | 47 | 32% | 0.318 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.4 | -33.1 | -177.1 | -69.8 | 166.5 | 0 | 0 | 0 | 111 | A980 A1013 A1014 | A980-I1016 HydrophobicContact CB-CG2 3.7Å; A1013-I1016 WeakPolarHBondContact O-CB 3.43Å; A1013-I1016 PolarHBondContact O-N 3.28Å; A1014-I1016 PolarHBondContact O-N 3.48Å |
| 1017 | L | 74.9 | Confident | 67.4 | Low | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -91.5 | -17.8 | -171.4 | -58.6 | 162.8 | 0 | 0 | 0 | 113.6 | I973 W1002 L1010 A1013 A1014 D1015 P1019 I1020 F1021 L1039 | I973-L1017 HydrophobicContact CG2-CD2 3.17Å; W1002-L1017 HydrophobicContact CH2-CD2 3.63Å; W1002-L1017 HydrophobicContact CZ3-CD2 3.85Å; L1010-L1017 HydrophobicContact CB-CD1 3.99Å; L1010-L1017 HydrophobicContact CD2-CD1 3.32Å; L1010-L1017 HydrophobicContact CD2-CD2 4.28Å; L1010-L1017 HydrophobicContact CD2-CG 4.44Å; L1010-L1017 HydrophobicContact CG-CD1 4.22Å; A1013-L1017 HydrophobicContact CB-CD1 3.77Å; A1013-L1017 HydrophobicContact CB-CG 4.22Å; A1013-L1017 WeakPolarHBondContact O-CD1 3.43Å; A1013-L1017 VanDerWaalsContact O-CG 3.25Å; A1013-L1017 WeakPolarHBondContact O-CG 3.36Å; A1013-L1017 PolarHBondContact O-N 2.91Å; A1014-L1017 PolarHBondContact O-N 2.84Å; D1015-L1017 PolarHBondContact O-N 3.4Å; L1017-P1019 VanDerWaalsContact C-CD 3.47Å; L1017-I1020 HydrophobicContact CD2-CD1 4.27Å; L1017-I1020 WeakPolarHBondContact O-CB 3.22Å; L1017-I1020 PolarHBondContact O-N 3.17Å; L1017-F1021 HydrophobicContact CB-CD1 4.37Å; L1017-F1021 HydrophobicContact CB-CD2 3.47Å; L1017-F1021 VanDerWaalsContact CB-CD2 3.47Å; L1017-F1021 HydrophobicContact CB-CE1 4.2Å; L1017-F1021 HydrophobicContact CB-CE2 3.27Å; L1017-F1021 HydrophobicContact CB-CG 4.09Å; L1017-F1021 HydrophobicContact CB-CZ 3.69Å; L1017-F1021 HydrophobicContact CD1-CE2 3.65Å; L1017-F1021 HydrophobicContact CD1-CZ 3.71Å; L1017-F1021 HydrophobicContact CD2-CE1 4.33Å; L1017-F1021 HydrophobicContact CD2-CE2 4.48Å; L1017-F1021 HydrophobicContact CD2-CZ 4.06Å; L1017-F1021 HydrophobicContact CG-CE2 3.98Å; L1017-F1021 HydrophobicContact CG-CZ 4.03Å; L1017-F1021 WeakPolarHBondContact O-CB 3.31Å; L1017-F1021 WeakPolarHBondContact O-CG 3.24Å; L1017-F1021 PolarHBondContact O-N 2.84Å; L1017-L1039 HydrophobicContact CD1-CD2 4.06Å |
| 1018 | L | 76 | Confident | 67.2 | Low | 17 Ų | 17 | 51.7 Ų | 51.7 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -52.7 | -47 | -172.4 | 176.7 | 61.6 | 0 | 0 | 0 | 113.2 | A1014 D1015 I1020 R1022 Y1040 D1053 L1054 L1057 | A1014-L1018 PolarHBondContact O-N 3.21Å; D1015-L1018 PolarHBondContact O-N 3.02Å; L1018-I1020 PolarHBondContact O-N 2.93Å; L1018-R1022 WeakPolarHBondContact O-CB 3.41Å; L1018-R1022 PolarHBondContact O-N 3.17Å; L1018-Y1040 WeakPolarHBondContact CA-OH 3.33Å; L1018-Y1040 HydrophobicContact CB-CE1 3.9Å; L1018-Y1040 VanDerWaalsContact CB-OH 3.27Å; L1018-Y1040 WeakPolarHBondContact CB-OH 3.27Å; L1018-Y1040 HydrophobicContact CD1-CD1 4.42Å; L1018-Y1040 HydrophobicContact CD1-CE1 3.81Å; L1018-Y1040 HydrophobicContact CD2-CE1 4.47Å; L1018-Y1040 HydrophobicContact CG-CE1 4.27Å; L1018-Y1040 PolarHBondContact N-OH 3.47Å; L1018-D1053 HydrophobicContact CD1-CB 4.41Å; L1018-D1053 HydrophobicContact CD2-CB 4.21Å; L1018-D1053 HydrophobicContact CG-CB 4.1Å; L1018-L1054 HydrophobicContact CD1-CD1 4.21Å; L1018-L1057 HydrophobicContact CD1-CB 3.77Å; L1018-L1057 HydrophobicContact CD1-CD1 4.27Å; L1018-L1057 HydrophobicContact CD1-CD2 3.33Å; L1018-L1057 HydrophobicContact CD1-CG 3.94Å |
| 1019 | P | 75.6 | Confident | 67.1 | Low | 52 Ų | 52 | 48.1 Ų | 48.1 | 34% | 0.338 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71.2 | -33.8 | -178.7 | -15.9 | 31.9 | 0 | 0 | 0 | 112.3 | I984 L1017 L1023 | I984-P1019 HydrophobicContact CD1-CB 3.72Å; L1017-P1019 VanDerWaalsContact C-CD 3.47Å; P1019-L1023 WeakPolarHBondContact O-CG 3.48Å; P1019-L1023 PolarHBondContact O-N 3.28Å |
| 1020 | I | 77.3 | Confident | 67.1 | Low | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.8 | -49.8 | 177.2 | -55 | 173.8 | 0 | 0 | 0 | 109.7 | I973 A980 F983 I984 L999 L1017 L1018 R1022 L1023 N1024 | I973-I1020 HydrophobicContact CB-CD1 4.33Å; I973-I1020 HydrophobicContact CD1-CD1 3.95Å; I973-I1020 HydrophobicContact CG1-CD1 3.98Å; I973-I1020 HydrophobicContact CG2-CD1 3.3Å; A980-I1020 VanDerWaalsContact CA-CD1 3.45Å; A980-I1020 HydrophobicContact CB-CD1 3.34Å; A980-I1020 HydrophobicContact CB-CG1 3.97Å; F983-I1020 HydrophobicContact CD1-CB 4.41Å; F983-I1020 HydrophobicContact CD1-CG1 4.25Å; F983-I1020 HydrophobicContact CD1-CG2 3.53Å; F983-I1020 HydrophobicContact CE1-CG2 3.46Å; F983-I1020 VanDerWaalsContact CE1-CG2 3.46Å; F983-I1020 HydrophobicContact CZ-CG2 4.42Å; I984-I1020 HydrophobicContact CD1-CG1 4.12Å; I984-I1020 HydrophobicContact CG1-CG1 4.17Å; L999-I1020 HydrophobicContact CD1-CG2 3.41Å; L999-I1020 VanDerWaalsContact CD1-CG2 3.41Å; L999-I1020 HydrophobicContact CD2-CB 4.49Å; L999-I1020 HydrophobicContact CD2-CG2 3.24Å; L999-I1020 HydrophobicContact CG-CG2 3.94Å; L1017-I1020 HydrophobicContact CD2-CD1 4.27Å; L1017-I1020 WeakPolarHBondContact O-CB 3.22Å; L1017-I1020 PolarHBondContact O-N 3.17Å; L1018-I1020 PolarHBondContact O-N 2.93Å; I1020-R1022 VanDerWaalsContact C-N 3.31Å; I1020-R1022 PolarHBondContact O-N 2.67Å; I1020-L1023 PolarHBondContact O-N 3.03Å; I1020-L1023 VanDerWaalsContact O-N 3.14Å; I1020-N1024 PolarHBondContact O-N 3.12Å; I1020-N1024 PolarHBondContact O-ND2 3.33Å |
| 1021 | F | 79.4 | Confident | 66.6 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 179.9 | -69.3 | -18.8 | 0 | 0 | 0 | 111.5 | L999 W1002 A1003 L1010 L1017 L1023 N1024 I1025 F1032 I1036 L1039 Y1040 L1057 | L999-F1021 HydrophobicContact CD1-CD1 4.4Å; L999-F1021 HydrophobicContact CD1-CE1 4.16Å; L999-F1021 HydrophobicContact CD2-CD1 4.21Å; W1002-F1021 HydrophobicContact CZ3-CE1 4.05Å; W1002-F1021 HydrophobicContact CZ3-CZ 4.29Å; A1003-F1021 HydrophobicContact CB-CE1 3.55Å; A1003-F1021 HydrophobicContact CB-CZ 3.54Å; L1010-F1021 HydrophobicContact CD2-CZ 4.19Å; L1017-F1021 HydrophobicContact CB-CD1 4.37Å; L1017-F1021 HydrophobicContact CB-CD2 3.47Å; L1017-F1021 VanDerWaalsContact CB-CD2 3.47Å; L1017-F1021 HydrophobicContact CB-CE1 4.2Å; L1017-F1021 HydrophobicContact CB-CE2 3.27Å; L1017-F1021 HydrophobicContact CB-CG 4.09Å; L1017-F1021 HydrophobicContact CB-CZ 3.69Å; L1017-F1021 HydrophobicContact CD1-CE2 3.65Å; L1017-F1021 HydrophobicContact CD1-CZ 3.71Å; L1017-F1021 HydrophobicContact CD2-CE1 4.33Å; L1017-F1021 HydrophobicContact CD2-CE2 4.48Å; L1017-F1021 HydrophobicContact CD2-CZ 4.06Å; L1017-F1021 HydrophobicContact CG-CE2 3.98Å; L1017-F1021 HydrophobicContact CG-CZ 4.03Å; L1017-F1021 WeakPolarHBondContact O-CB 3.31Å; L1017-F1021 WeakPolarHBondContact O-CG 3.24Å; L1017-F1021 PolarHBondContact O-N 2.84Å; F1021-L1023 PolarHBondContact O-N 3.42Å; F1021-N1024 CarbonylContact O-C 3.55Å; F1021-N1024 PolarHBondContact O-N 3.46Å; F1021-I1025 WeakPolarHBondContact O-CA 3.39Å; F1021-I1025 VanDerWaalsContact O-CB 3.24Å; F1021-I1025 WeakPolarHBondContact O-CB 3.42Å; F1021-I1025 PolarHBondContact O-N 3.42Å; F1021-F1032 HydrophobicContact CD1-CE1 4.16Å; F1021-F1032 AromaticContact CD1-CE2 3.77Å; F1021-F1032 HydrophobicContact CD1-CE2 3.77Å; F1021-F1032 AromaticContact CD1-CZ 3.3Å; F1021-F1032 HydrophobicContact CD1-CZ 3.3Å; F1021-F1032 AromaticContact CE1-CE2 3.47Å; F1021-F1032 HydrophobicContact CE1-CE2 3.47Å; F1021-F1032 VanDerWaalsContact CE1-CE2 3.47Å; F1021-F1032 AromaticContact CE1-CZ 3.55Å; F1021-F1032 HydrophobicContact CE1-CZ 3.55Å; F1021-F1032 HydrophobicContact CG-CZ 4.22Å; F1021-F1032 HydrophobicContact CZ-CE2 4.38Å; F1021-I1036 HydrophobicContact CB-CD1 3.88Å; F1021-I1036 HydrophobicContact CB-CG1 4.21Å; F1021-I1036 HydrophobicContact CD1-CD1 4.29Å; F1021-I1036 HydrophobicContact CD1-CG1 4.39Å; F1021-I1036 HydrophobicContact CD2-CD1 4.11Å; F1021-I1036 HydrophobicContact CD2-CG1 3.53Å; F1021-I1036 HydrophobicContact CD2-CG2 4.37Å; F1021-I1036 HydrophobicContact CE2-CG1 3.76Å; F1021-I1036 HydrophobicContact CG-CD1 3.86Å; F1021-I1036 HydrophobicContact CG-CG1 3.82Å; F1021-I1036 HydrophobicContact CZ-CG1 4.29Å; F1021-L1039 HydrophobicContact CE2-CD2 3.91Å; F1021-Y1040 AromaticContact CD2-CE2 3.99Å; F1021-Y1040 HydrophobicContact CD2-CE2 3.99Å; F1021-L1057 HydrophobicContact CB-CD1 3.46Å; F1021-L1057 VanDerWaalsContact CB-CD1 3.46Å |
| 1022 | R | 70 | Confident | 67.2 | Low | 93 Ų | 93 | 51.6 Ų | 51.6 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.2 | -50.2 | 171.2 | -178.5 | -169.4 | -177.2 | -171 | 2.2 | 112.7 | L1018 I1020 N1024 I1025 D1053 | L1018-R1022 WeakPolarHBondContact O-CB 3.41Å; L1018-R1022 PolarHBondContact O-N 3.17Å; I1020-R1022 VanDerWaalsContact C-N 3.31Å; I1020-R1022 PolarHBondContact O-N 2.67Å; R1022-N1024 PolarHBondContact O-N 3.07Å; R1022-N1024 VanDerWaalsContact O-N 3.12Å; R1022-I1025 WeakPolarHBondContact O-CG2 3.36Å; R1022-I1025 PolarHBondContact O-N 3.23Å; R1022-D1053 WeakPolarHBondContact CD-OD1 3.44Å; R1022-D1053 IonicContact CZ-OD1 2.58Å; R1022-D1053 IonicContact NE-OD1 2.91Å; R1022-D1053 PolarHBondContact NE-OD1 3.23Å; R1022-D1053 IonicContact NH1-OD1 2.72Å; R1022-D1053 PolarHBondContact NH1-OD1 3.16Å |
| 1023 | L | 73.2 | Confident | 67.5 | Low | 69 Ų | 69 | 43.4 Ų | 43.4 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.5 | -20.3 | -177.1 | -76.2 | 169.3 | 0 | 0 | 0 | 113 | I984 P1019 I1020 F1021 | I984-L1023 HydrophobicContact CB-CD1 4.29Å; I984-L1023 HydrophobicContact CG1-CD1 3.89Å; I984-L1023 HydrophobicContact CG2-CD1 3.81Å; P1019-L1023 WeakPolarHBondContact O-CG 3.48Å; P1019-L1023 PolarHBondContact O-N 3.28Å; I1020-L1023 PolarHBondContact O-N 3.03Å; I1020-L1023 VanDerWaalsContact O-N 3.14Å; F1021-L1023 PolarHBondContact O-N 3.42Å |
| 1024 | N | 71.6 | Confident | 67.6 | Low | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 12.3 | -169.9 | -65.5 | -67 | 0 | 0 | 0 | 113.9 | F983 Q987 K996 L999 I1020 F1021 R1022 D1026 C1027 | F983-N1024 WeakPolarHBondContact CE1-ND2 3.38Å; Q987-N1024 PolarHBondContact NE2-ND2 3.42Å; Q987-N1024 PolarHBondContact NE2-OD1 3.03Å; Q987-N1024 PolarHBondContact OE1-ND2 2.94Å; K996-N1024 WeakPolarHBondContact CA-OD1 3.41Å; K996-N1024 WeakPolarHBondContact CB-OD1 3.26Å; K996-N1024 HydrophobicContact CG-CB 4.38Å; K996-N1024 WeakPolarHBondContact CG-OD1 3.42Å; L999-N1024 HydrophobicContact CD2-CB 3.17Å; L999-N1024 WeakPolarHBondContact CD2-ND2 3.38Å; L999-N1024 HydrophobicContact CG-CB 4.4Å; I1020-N1024 PolarHBondContact O-N 3.12Å; I1020-N1024 PolarHBondContact O-ND2 3.33Å; F1021-N1024 CarbonylContact O-C 3.55Å; F1021-N1024 PolarHBondContact O-N 3.46Å; R1022-N1024 PolarHBondContact O-N 3.07Å; R1022-N1024 VanDerWaalsContact O-N 3.12Å; N1024-D1026 PolarHBondContact O-N 3.47Å; N1024-C1027 VanDerWaalsContact O-CB 3.27Å; N1024-C1027 WeakPolarHBondContact O-CB 3.45Å; N1024-C1027 PolarHBondContact O-N 2.93Å; N1024-C1027 PolarHBondContact O-SG 3.24Å |
| 1025 | I | 62.2 | Low | 67.3 | Low | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | trans | -71.7 | -16.4 | -171.8 | -141.7 | 157.4 | 0 | 0 | 0 | 114.7 | F1021 R1022 C1027 L1033 L1057 A1060 V1061 | F1021-I1025 WeakPolarHBondContact O-CA 3.39Å; F1021-I1025 VanDerWaalsContact O-CB 3.24Å; F1021-I1025 WeakPolarHBondContact O-CB 3.42Å; F1021-I1025 PolarHBondContact O-N 3.42Å; R1022-I1025 WeakPolarHBondContact O-CG2 3.36Å; R1022-I1025 PolarHBondContact O-N 3.23Å; I1025-C1027 PolarHBondContact O-N 3.29Å; I1025-L1033 HydrophobicContact CG1-CD2 4.07Å; I1025-L1057 HydrophobicContact CD1-CB 4.08Å; I1025-L1057 HydrophobicContact CD1-CD1 3.34Å; I1025-L1057 HydrophobicContact CD1-CG 3.88Å; I1025-L1057 WeakPolarHBondContact CD1-O 2.84Å; I1025-L1057 HydrophobicContact CG1-CD1 4.44Å; I1025-A1060 HydrophobicContact CB-CB 3.64Å; I1025-A1060 HydrophobicContact CD1-CB 3.49Å; I1025-A1060 VanDerWaalsContact CD1-CB 3.49Å; I1025-A1060 HydrophobicContact CG1-CB 3.28Å; I1025-A1060 HydrophobicContact CG2-CB 3.11Å; I1025-V1061 HydrophobicContact CD1-CG2 4.24Å | ||
| 1026 | D | 55.7 | Low | 67.5 | Low | 107 Ų | 107 | 38.6 Ų | 38.6 | 57% | 0.572 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -70.7 | 23.1 | 169.3 | -48.6 | -50 | 0 | 0 | 0 | 112.7 | K996 N1024 | K996-D1026 IonicContact NZ-OD2 2.66Å; K996-D1026 PolarHBondContact NZ-OD2 3.43Å; N1024-D1026 PolarHBondContact O-N 3.47Å |
| 1027 | C | 58.8 | Low | 67.6 | Low | 7 Ų | 7 | 38 Ų | 38 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | trans | -82.3 | 143.4 | 177.3 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | I1000 N1024 I1025 N1029 F1032 L1033 | I1000-C1027 HydrophobicContact CB-CB 3.94Å; I1000-C1027 HydrophobicContact CD1-CB 3.11Å; I1000-C1027 HydrophobicContact CG1-CB 3.18Å; I1000-C1027 HydrophobicContact CG2-CB 3.52Å; N1024-C1027 VanDerWaalsContact O-CB 3.27Å; N1024-C1027 WeakPolarHBondContact O-CB 3.45Å; N1024-C1027 PolarHBondContact O-N 2.93Å; N1024-C1027 PolarHBondContact O-SG 3.24Å; I1025-C1027 PolarHBondContact O-N 3.29Å; C1027-N1029 PolarHBondContact O-N 3.28Å; C1027-F1032 HydrophobicContact CB-CD1 4.38Å; C1027-F1032 WeakPolarHBondContact SG-CD1 3.4Å; C1027-F1032 WeakPolarHBondContact SG-CE1 3.46Å; C1027-L1033 WeakPolarHBondContact O-CD1 3.39Å; C1027-L1033 VanDerWaalsContact SG-CD1 3.6Å | ||
| 1028 | D | 55.8 | Low | 67.5 | Low | 162 Ų | 162 | 44.2 Ų | 44.2 | 87% | 0.866 | 22% | 0.223 | S | C | * | . | trans | -80.8 | 3.8 | 176.7 | -65.6 | -36.7 | 0 | 0 | 0 | 113.4 | V1030 | D1028-V1030 PolarHBondContact O-N 3.16Š| ||
| 1029 | N | 63.3 | Low | 67.5 | Low | 44 Ų | 44 | 44.1 Ų | 44.1 | 24% | 0.235 | 22% | 0.222 | C | C | . | . | trans | -90 | 103.3 | -162.9 | -158 | -28.7 | 0 | 0 | 0 | 112.2 | I1000 V1004 C1027 D1031 F1032 L1033 | I1000-N1029 HydrophobicContact CG2-CB 3.12Å; I1000-N1029 PolarHBondContact O-ND2 3.37Å; V1004-N1029 HydrophobicContact CG2-CB 4.05Å; V1004-N1029 WeakPolarHBondContact CG2-ND2 3.42Å; V1004-N1029 WeakPolarHBondContact CG2-OD1 3.4Å; C1027-N1029 PolarHBondContact O-N 3.28Å; N1029-D1031 VanDerWaalsContact C-N 3.3Å; N1029-D1031 PolarHBondContact O-N 3.07Å; N1029-F1032 HydrophobicContact CB-CB 3.87Å; N1029-F1032 WeakPolarHBondContact O-CA 3.41Å; N1029-F1032 WeakPolarHBondContact O-CB 3.35Å; N1029-F1032 PolarHBondContact O-N 3.1Å; N1029-L1033 WeakPolarHBondContact O-CD1 3.37Å; N1029-L1033 WeakPolarHBondContact O-CG 3.09Å; N1029-L1033 PolarHBondContact O-N 2.92Å; N1029-L1033 VanDerWaalsContact O-N 3.11Å | ||
| 1030 | V | 58.9 | Low | 67.5 | Low | 88 Ų | 88 | 41.7 Ų | 41.7 | 53% | 0.533 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.7 | -33.5 | -171.5 | 179.5 | 0 | 0 | 0 | 0 | 113.7 | D1028 L1033 S1034 I1064 | D1028-V1030 PolarHBondContact O-N 3.16Å; V1030-L1033 PolarHBondContact O-N 3.47Å; V1030-S1034 WeakPolarHBondContact O-CB 3.36Å; V1030-S1034 PolarHBondContact O-N 2.97Å; V1030-I1064 HydrophobicContact CB-CG2 4.03Å; V1030-I1064 HydrophobicContact CG1-CG2 3.77Å; V1030-I1064 HydrophobicContact CG2-CG2 4.02Å |
| 1031 | D | 57.9 | Low | 67.2 | Low | 87 Ų | 87 | 42.4 Ų | 42.4 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -75.2 | -30 | 174.2 | -73.6 | -32.1 | 0 | 0 | 0 | 111.7 | V1004 N1029 L1033 S1034 T1035 | V1004-D1031 HydrophobicContact CB-CB 3.61Å; V1004-D1031 HydrophobicContact CG1-CB 3.15Å; V1004-D1031 WeakPolarHBondContact CG1-OD2 3.41Å; V1004-D1031 HydrophobicContact CG2-CB 3.66Å; N1029-D1031 VanDerWaalsContact C-N 3.3Å; N1029-D1031 PolarHBondContact O-N 3.07Å; D1031-L1033 PolarHBondContact O-N 3.14Å; D1031-S1034 WeakPolarHBondContact CA-OG 3.4Å; D1031-S1034 PolarHBondContact O-N 3.49Å; D1031-S1034 PolarHBondContact O-OG 3.44Å; D1031-S1034 VanDerWaalsContact O-OG 3.1Å; D1031-T1035 WeakPolarHBondContact O-CB 3.22Å; D1031-T1035 PolarHBondContact O-N 2.83Å; D1031-T1035 PolarHBondContact O-OG1 3.44Å |
| 1032 | F | 71.8 | Confident | 66.8 | Low | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 174.3 | -174.1 | -106 | 0 | 0 | 0 | 108.2 | L999 I1000 A1003 V1004 F1021 C1027 N1029 T1035 I1036 | L999-F1032 HydrophobicContact CD1-CE2 4.33Å; L999-F1032 HydrophobicContact CD2-CE2 4.18Å; L999-F1032 HydrophobicContact CD2-CZ 3.64Å; L999-F1032 HydrophobicContact CG-CE2 3.7Å; L999-F1032 HydrophobicContact CG-CZ 3.69Å; L999-F1032 WeakPolarHBondContact O-CD2 3.06Å; L999-F1032 WeakPolarHBondContact O-CE2 3.36Å; I1000-F1032 WeakPolarHBondContact O-CD2 3.24Å; A1003-F1032 HydrophobicContact CB-CD2 3.17Å; A1003-F1032 HydrophobicContact CB-CE2 3.2Å; A1003-F1032 HydrophobicContact CB-CG 4.3Å; A1003-F1032 HydrophobicContact CB-CZ 4.4Å; V1004-F1032 VanDerWaalsContact CG2-CA 3.46Å; V1004-F1032 HydrophobicContact CG2-CB 3.53Å; F1021-F1032 HydrophobicContact CD1-CE1 4.16Å; F1021-F1032 AromaticContact CD1-CE2 3.77Å; F1021-F1032 HydrophobicContact CD1-CE2 3.77Å; F1021-F1032 AromaticContact CD1-CZ 3.3Å; F1021-F1032 HydrophobicContact CD1-CZ 3.3Å; F1021-F1032 AromaticContact CE1-CE2 3.47Å; F1021-F1032 HydrophobicContact CE1-CE2 3.47Å; F1021-F1032 VanDerWaalsContact CE1-CE2 3.47Å; F1021-F1032 AromaticContact CE1-CZ 3.55Å; F1021-F1032 HydrophobicContact CE1-CZ 3.55Å; F1021-F1032 HydrophobicContact CG-CZ 4.22Å; F1021-F1032 HydrophobicContact CZ-CE2 4.38Å; C1027-F1032 HydrophobicContact CB-CD1 4.38Å; C1027-F1032 WeakPolarHBondContact SG-CD1 3.4Å; C1027-F1032 WeakPolarHBondContact SG-CE1 3.46Å; N1029-F1032 HydrophobicContact CB-CB 3.87Å; N1029-F1032 WeakPolarHBondContact O-CA 3.41Å; N1029-F1032 WeakPolarHBondContact O-CB 3.35Å; N1029-F1032 PolarHBondContact O-N 3.1Å; F1032-T1035 WeakPolarHBondContact O-CB 3.27Å; F1032-I1036 HydrophobicContact CD1-CD1 3.4Å; F1032-I1036 VanDerWaalsContact CD1-CD1 3.4Å; F1032-I1036 HydrophobicContact CD1-CG1 4.42Å; F1032-I1036 HydrophobicContact CE1-CD1 3.29Å; F1032-I1036 HydrophobicContact CE1-CG1 4.43Å; F1032-I1036 HydrophobicContact CG-CD1 4.24Å; F1032-I1036 HydrophobicContact CZ-CD1 3.97Å; F1032-I1036 WeakPolarHBondContact O-CD1 3.37Å; F1032-I1036 WeakPolarHBondContact O-CG1 3.25Å; F1032-I1036 PolarHBondContact O-N 3.4Å |
| 1033 | L | 65.8 | Low | 67.1 | Low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -91.3 | -24.8 | -172.8 | -60.6 | 140.5 | 0 | 0 | 0 | 111.2 | I1025 C1027 N1029 V1030 D1031 T1035 I1036 Y1037 A1060 V1061 I1064 | I1025-L1033 HydrophobicContact CG1-CD2 4.07Å; C1027-L1033 WeakPolarHBondContact O-CD1 3.39Å; C1027-L1033 VanDerWaalsContact SG-CD1 3.6Å; N1029-L1033 WeakPolarHBondContact O-CD1 3.37Å; N1029-L1033 WeakPolarHBondContact O-CG 3.09Å; N1029-L1033 PolarHBondContact O-N 2.92Å; N1029-L1033 VanDerWaalsContact O-N 3.11Å; V1030-L1033 PolarHBondContact O-N 3.47Å; D1031-L1033 PolarHBondContact O-N 3.14Å; L1033-T1035 VanDerWaalsContact C-N 3.27Å; L1033-I1036 HydrophobicContact CD2-CD1 3.99Å; L1033-Y1037 VanDerWaalsContact O-CB 3.23Å; L1033-Y1037 WeakPolarHBondContact O-CB 3.4Å; L1033-Y1037 PolarHBondContact O-N 3.49Å; L1033-A1060 WeakPolarHBondContact CD2-O 3.44Å; L1033-V1061 WeakPolarHBondContact O-CG1 3.34Å; L1033-I1064 HydrophobicContact CB-CB 3.44Å; L1033-I1064 VanDerWaalsContact CB-CB 3.44Å; L1033-I1064 HydrophobicContact CB-CD1 3.6Å; L1033-I1064 HydrophobicContact CB-CG1 3.71Å; L1033-I1064 HydrophobicContact CB-CG2 3.47Å; L1033-I1064 VanDerWaalsContact CB-CG2 3.47Å; L1033-I1064 HydrophobicContact CD1-CB 3.99Å; L1033-I1064 HydrophobicContact CD1-CD1 3.18Å; L1033-I1064 HydrophobicContact CD1-CG1 3.24Å; L1033-I1064 HydrophobicContact CD1-CG2 4.07Å; L1033-I1064 HydrophobicContact CD2-CD1 3.34Å; L1033-I1064 HydrophobicContact CD2-CG1 4.29Å; L1033-I1064 HydrophobicContact CG-CB 4.14Å; L1033-I1064 HydrophobicContact CG-CD1 3.4Å; L1033-I1064 VanDerWaalsContact CG-CD1 3.4Å; L1033-I1064 HydrophobicContact CG-CG1 3.8Å; L1033-I1064 HydrophobicContact CG-CG2 4.33Å |
| 1034 | S | 67.8 | Low | 67.1 | Low | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.6 | -34.2 | 168 | 81.3 | 0 | 0 | 0 | 0 | 112.1 | V1030 D1031 Y1037 R1038 Q1065 | V1030-S1034 WeakPolarHBondContact O-CB 3.36Å; V1030-S1034 PolarHBondContact O-N 2.97Å; D1031-S1034 WeakPolarHBondContact CA-OG 3.4Å; D1031-S1034 PolarHBondContact O-N 3.49Å; D1031-S1034 PolarHBondContact O-OG 3.44Å; D1031-S1034 VanDerWaalsContact O-OG 3.1Å; S1034-Y1037 WeakPolarHBondContact O-CB 3.16Å; S1034-Y1037 PolarHBondContact O-N 3.08Å; S1034-R1038 WeakPolarHBondContact O-CB 3.19Å; S1034-R1038 PolarHBondContact O-N 2.94Å; S1034-Q1065 VanDerWaalsContact CA-CD 3.49Å; S1034-Q1065 VanDerWaalsContact CA-OE1 3.27Å; S1034-Q1065 VanDerWaalsContact CB-CD 3.48Å |
| 1035 | T | 60.9 | Low | 67 | Low | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.9 | -55.8 | 174.2 | -68.5 | 0 | 0 | 0 | 0 | 110.3 | S1007 L1010 D1031 F1032 L1033 Y1037 R1038 L1039 | S1007-T1035 WeakPolarHBondContact CA-OG1 3.45Å; S1007-T1035 WeakPolarHBondContact CB-OG1 3.31Å; L1010-T1035 HydrophobicContact CB-CG2 4.08Å; L1010-T1035 HydrophobicContact CD1-CG2 3.09Å; L1010-T1035 HydrophobicContact CG-CG2 4.22Å; D1031-T1035 WeakPolarHBondContact O-CB 3.22Å; D1031-T1035 PolarHBondContact O-N 2.83Å; D1031-T1035 PolarHBondContact O-OG1 3.44Å; F1032-T1035 WeakPolarHBondContact O-CB 3.27Å; L1033-T1035 VanDerWaalsContact C-N 3.27Å; T1035-Y1037 PolarHBondContact O-N 2.69Å; T1035-R1038 PolarHBondContact O-N 3.27Å; T1035-R1038 VanDerWaalsContact O-N 3.09Å; T1035-L1039 HydrophobicContact CG2-CD1 4.05Å; T1035-L1039 WeakPolarHBondContact O-CB 3.23Å; T1035-L1039 VanDerWaalsContact O-CD1 3.26Å; T1035-L1039 WeakPolarHBondContact O-CD1 3.36Å; T1035-L1039 PolarHBondContact O-N 3.13Å |
| 1036 | I | 73.5 | Confident | 67.4 | Low | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.5 | -42 | 175 | -63.5 | 163.7 | 0 | 0 | 0 | 109 | F1021 F1032 L1033 R1038 L1039 Y1040 L1057 V1061 | F1021-I1036 HydrophobicContact CB-CD1 3.88Å; F1021-I1036 HydrophobicContact CB-CG1 4.21Å; F1021-I1036 HydrophobicContact CD1-CD1 4.29Å; F1021-I1036 HydrophobicContact CD1-CG1 4.39Å; F1021-I1036 HydrophobicContact CD2-CD1 4.11Å; F1021-I1036 HydrophobicContact CD2-CG1 3.53Å; F1021-I1036 HydrophobicContact CD2-CG2 4.37Å; F1021-I1036 HydrophobicContact CE2-CG1 3.76Å; F1021-I1036 HydrophobicContact CG-CD1 3.86Å; F1021-I1036 HydrophobicContact CG-CG1 3.82Å; F1021-I1036 HydrophobicContact CZ-CG1 4.29Å; F1032-I1036 HydrophobicContact CD1-CD1 3.4Å; F1032-I1036 VanDerWaalsContact CD1-CD1 3.4Å; F1032-I1036 HydrophobicContact CD1-CG1 4.42Å; F1032-I1036 HydrophobicContact CE1-CD1 3.29Å; F1032-I1036 HydrophobicContact CE1-CG1 4.43Å; F1032-I1036 HydrophobicContact CG-CD1 4.24Å; F1032-I1036 HydrophobicContact CZ-CD1 3.97Å; F1032-I1036 WeakPolarHBondContact O-CD1 3.37Å; F1032-I1036 WeakPolarHBondContact O-CG1 3.25Å; F1032-I1036 PolarHBondContact O-N 3.4Å; L1033-I1036 HydrophobicContact CD2-CD1 3.99Å; I1036-R1038 PolarHBondContact O-N 2.97Å; I1036-L1039 VanDerWaalsContact O-CB 3.32Å; I1036-L1039 WeakPolarHBondContact O-CB 2.83Å; I1036-L1039 PolarHBondContact O-N 2.91Å; I1036-Y1040 HydrophobicContact CG2-CD2 3.49Å; I1036-Y1040 VanDerWaalsContact CG2-CD2 3.49Å; I1036-Y1040 HydrophobicContact CG2-CE2 3.66Å; I1036-Y1040 WeakPolarHBondContact O-CD2 3.22Å; I1036-Y1040 PolarHBondContact O-N 3.09Å; I1036-L1057 HydrophobicContact CD1-CD1 4.49Å; I1036-L1057 HydrophobicContact CG2-CD1 3.59Å; I1036-L1057 HydrophobicContact CG2-CD2 3.59Å; I1036-L1057 HydrophobicContact CG2-CG 3.75Å; I1036-V1061 HydrophobicContact CB-CG1 4.46Å; I1036-V1061 HydrophobicContact CB-CG2 3.7Å; I1036-V1061 HydrophobicContact CG2-CB 4.36Å; I1036-V1061 HydrophobicContact CG2-CG1 4.36Å; I1036-V1061 HydrophobicContact CG2-CG2 3.07Å |
| 1037 | Y | 70 | Confident | 67.9 | Low | 51 Ų | 51 | 47.5 Ų | 47.5 | 20% | 0.2 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -54 | -56.8 | 173.6 | 177.7 | -77.7 | 0 | 0 | 0 | 112.4 | L1033 S1034 T1035 L1039 Y1040 A1041 V1061 Q1065 I1068 | L1033-Y1037 VanDerWaalsContact O-CB 3.23Å; L1033-Y1037 WeakPolarHBondContact O-CB 3.4Å; L1033-Y1037 PolarHBondContact O-N 3.49Å; S1034-Y1037 WeakPolarHBondContact O-CB 3.16Å; S1034-Y1037 PolarHBondContact O-N 3.08Å; T1035-Y1037 PolarHBondContact O-N 2.69Å; Y1037-L1039 PolarHBondContact O-N 3.41Å; Y1037-Y1040 PolarHBondContact O-N 2.9Å; Y1037-Y1040 VanDerWaalsContact O-N 3.13Å; Y1037-A1041 HydrophobicContact CD1-CB 4.24Å; Y1037-A1041 HydrophobicContact CE1-CB 3.94Å; Y1037-A1041 WeakPolarHBondContact O-CA 3.4Å; Y1037-A1041 WeakPolarHBondContact O-CB 3.3Å; Y1037-A1041 PolarHBondContact O-N 3.42Å; Y1037-V1061 HydrophobicContact CD2-CG1 4.31Å; Y1037-V1061 HydrophobicContact CG-CG1 4.46Å; Y1037-Q1065 HydrophobicContact CD2-CB 3.27Å; Y1037-Q1065 HydrophobicContact CD2-CG 4.41Å; Y1037-Q1065 VanDerWaalsContact CD2-O 3.3Å; Y1037-Q1065 WeakPolarHBondContact CD2-O 3.44Å; Y1037-Q1065 HydrophobicContact CE2-CB 3.87Å; Y1037-Q1065 WeakPolarHBondContact CE2-O 3.31Å; Y1037-Q1065 HydrophobicContact CG-CB 3.7Å; Y1037-Q1065 HydrophobicContact CG-CG 4.44Å; Y1037-I1068 HydrophobicContact CD2-CB 4.49Å; Y1037-I1068 HydrophobicContact CD2-CD1 3.18Å; Y1037-I1068 HydrophobicContact CD2-CG1 3.41Å; Y1037-I1068 VanDerWaalsContact CD2-CG1 3.41Å; Y1037-I1068 HydrophobicContact CE2-CB 4.2Å; Y1037-I1068 HydrophobicContact CE2-CD1 3.71Å; Y1037-I1068 HydrophobicContact CE2-CG1 3.33Å; Y1037-I1068 HydrophobicContact CG-CD1 4.03Å; Y1037-I1068 HydrophobicContact CG-CG1 4.42Å |
| 1038 | R | 72 | Confident | 68.3 | Low | 130 Ų | 130 | 51.2 Ų | 51.2 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.1 | -34.3 | -177.2 | -164.1 | -173.3 | -54.6 | 171 | 7.3 | 111.7 | D1008 S1034 T1035 I1036 | D1008-R1038 IonicContact OD1-CZ 3.14Å; D1008-R1038 IonicContact OD1-NH1 3.36Å; D1008-R1038 PolarHBondContact OD1-NH1 3.21Å; D1008-R1038 IonicContact OD1-NH2 3.13Å; S1034-R1038 WeakPolarHBondContact O-CB 3.19Å; S1034-R1038 PolarHBondContact O-N 2.94Å; T1035-R1038 PolarHBondContact O-N 3.27Å; T1035-R1038 VanDerWaalsContact O-N 3.09Å; I1036-R1038 PolarHBondContact O-N 2.97Å |
| 1039 | L | 75.6 | Confident | 68.8 | Low | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 175 | -107.3 | 78.7 | 0 | 0 | 0 | 113.8 | L1010 P1011 A1014 L1017 F1021 T1035 I1036 Y1037 | L1010-L1039 VanDerWaalsContact C-CD1 3.48Å; L1010-L1039 HydrophobicContact CB-CD1 3.54Å; L1010-L1039 HydrophobicContact CB-CD2 4.31Å; L1010-L1039 HydrophobicContact CB-CG 4.5Å; P1011-L1039 HydrophobicContact CB-CD1 4.35Å; P1011-L1039 HydrophobicContact CG-CD1 3.88Å; A1014-L1039 HydrophobicContact CB-CB 4.12Å; A1014-L1039 HydrophobicContact CB-CD2 3.46Å; A1014-L1039 VanDerWaalsContact CB-CD2 3.46Å; A1014-L1039 HydrophobicContact CB-CG 3.63Å; L1017-L1039 HydrophobicContact CD1-CD2 4.06Å; F1021-L1039 HydrophobicContact CE2-CD2 3.91Å; T1035-L1039 HydrophobicContact CG2-CD1 4.05Å; T1035-L1039 WeakPolarHBondContact O-CB 3.23Å; T1035-L1039 VanDerWaalsContact O-CD1 3.26Å; T1035-L1039 WeakPolarHBondContact O-CD1 3.36Å; T1035-L1039 PolarHBondContact O-N 3.13Å; I1036-L1039 VanDerWaalsContact O-CB 3.32Å; I1036-L1039 WeakPolarHBondContact O-CB 2.83Å; I1036-L1039 PolarHBondContact O-N 2.91Å; Y1037-L1039 PolarHBondContact O-N 3.41Å |
| 1040 | Y | 77.1 | Confident | 69.3 | Low | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -112.2 | -0.1 | -167.4 | -60.6 | -85.8 | 0 | 0 | 0 | 113.4 | A1014 L1018 F1021 I1036 Y1037 D1042 R1043 F1044 L1054 L1057 | A1014-Y1040 HydrophobicContact CB-CE1 4.24Å; A1014-Y1040 WeakPolarHBondContact O-CE1 3.41Å; A1014-Y1040 PolarHBondContact O-OH 2.91Å; L1018-Y1040 WeakPolarHBondContact CA-OH 3.33Å; L1018-Y1040 HydrophobicContact CB-CE1 3.9Å; L1018-Y1040 VanDerWaalsContact CB-OH 3.27Å; L1018-Y1040 WeakPolarHBondContact CB-OH 3.27Å; L1018-Y1040 HydrophobicContact CD1-CD1 4.42Å; L1018-Y1040 HydrophobicContact CD1-CE1 3.81Å; L1018-Y1040 HydrophobicContact CD2-CE1 4.47Å; L1018-Y1040 HydrophobicContact CG-CE1 4.27Å; L1018-Y1040 PolarHBondContact N-OH 3.47Å; F1021-Y1040 AromaticContact CD2-CE2 3.99Å; F1021-Y1040 HydrophobicContact CD2-CE2 3.99Å; I1036-Y1040 HydrophobicContact CG2-CD2 3.49Å; I1036-Y1040 VanDerWaalsContact CG2-CD2 3.49Å; I1036-Y1040 HydrophobicContact CG2-CE2 3.66Å; I1036-Y1040 WeakPolarHBondContact O-CD2 3.22Å; I1036-Y1040 PolarHBondContact O-N 3.09Å; Y1037-Y1040 PolarHBondContact O-N 2.9Å; Y1037-Y1040 VanDerWaalsContact O-N 3.13Å; Y1040-D1042 VanDerWaalsContact C-N 3.32Å; Y1040-D1042 PolarHBondContact O-N 3.44Å; Y1040-R1043 CarbonylContact O-C 3.57Å; Y1040-R1043 WeakPolarHBondContact O-CA 3.35Å; Y1040-R1043 WeakPolarHBondContact O-CB 3.49Å; Y1040-R1043 PolarHBondContact O-N 2.93Å; Y1040-F1044 VanDerWaalsContact C-CD2 3.43Å; Y1040-F1044 VanDerWaalsContact CB-CE2 3.43Å; Y1040-F1044 HydrophobicContact CG-CZ 4.2Å; Y1040-F1044 WeakPolarHBondContact O-CD2 3.41Å; Y1040-F1044 VanDerWaalsContact O-CG 3.3Å; Y1040-F1044 WeakPolarHBondContact O-CG 3.49Å; Y1040-F1044 PolarHBondContact O-N 3.31Å; Y1040-L1054 HydrophobicContact CD1-CD1 3.65Å; Y1040-L1054 HydrophobicContact CE1-CD1 4.41Å; Y1040-L1054 HydrophobicContact CG-CD1 4.19Å; Y1040-L1057 HydrophobicContact CD1-CD2 3.86Å; Y1040-L1057 HydrophobicContact CD2-CD2 3.19Å; Y1040-L1057 HydrophobicContact CE1-CD2 3.97Å; Y1040-L1057 HydrophobicContact CE2-CD2 3.31Å; Y1040-L1057 HydrophobicContact CG-CD2 3.48Å; Y1040-L1057 VanDerWaalsContact CG-CD2 3.48Å |
| 1041 | A | 70 | Confident | 70.1 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -46.8 | -50.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1037 R1043 F1044 | Y1037-A1041 HydrophobicContact CD1-CB 4.24Å; Y1037-A1041 HydrophobicContact CE1-CB 3.94Å; Y1037-A1041 WeakPolarHBondContact O-CA 3.4Å; Y1037-A1041 WeakPolarHBondContact O-CB 3.3Å; Y1037-A1041 PolarHBondContact O-N 3.42Å; A1041-R1043 VanDerWaalsContact C-N 3.29Å; A1041-R1043 PolarHBondContact O-N 3.36Å; A1041-F1044 PolarHBondContact O-N 2.85Å |
| 1042 | D | 71.8 | Confident | 70.5 | Confident | 141 Ų | 141 | 44.6 Ų | 44.6 | 75% | 0.754 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -67.5 | -30.3 | 179.1 | -63.8 | -25.9 | 0 | 0 | 0 | 112.5 | Y1040 A1045 | Y1040-D1042 VanDerWaalsContact C-N 3.32Å; Y1040-D1042 PolarHBondContact O-N 3.44Å; D1042-A1045 WeakPolarHBondContact O-CB 3.31Å; D1042-A1045 PolarHBondContact O-N 2.91Å |
| 1043 | R | 74.9 | Confident | 70.4 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 27% | 0.268 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -80.9 | -24.4 | -178.6 | -61.2 | 179.6 | 174.1 | -148.2 | 4.5 | 113 | D1015 Y1040 A1041 A1045 L1054 | D1015-R1043 VanDerWaalsContact CG-NH1 3.29Å; D1015-R1043 IonicContact OD1-CZ 2.83Å; D1015-R1043 IonicContact OD1-NH1 3.4Å; D1015-R1043 PolarHBondContact OD1-NH1 3.34Å; D1015-R1043 IonicContact OD1-NH2 3.86Å; D1015-R1043 IonicContact OD2-CZ 2.86Å; D1015-R1043 IonicContact OD2-NH1 3.86Å; D1015-R1043 PolarHBondContact OD2-NH1 2.85Å; D1015-R1043 IonicContact OD2-NH2 3.16Å; D1015-R1043 PolarHBondContact OD2-NH2 3.46Å; Y1040-R1043 CarbonylContact O-C 3.57Å; Y1040-R1043 WeakPolarHBondContact O-CA 3.35Å; Y1040-R1043 WeakPolarHBondContact O-CB 3.49Å; Y1040-R1043 PolarHBondContact O-N 2.93Å; A1041-R1043 VanDerWaalsContact C-N 3.29Å; A1041-R1043 PolarHBondContact O-N 3.36Å; R1043-A1045 VanDerWaalsContact C-N 3.26Å; R1043-L1054 HydrophobicContact CB-CD1 4.38Å; R1043-L1054 HydrophobicContact CB-CD2 4.19Å |
| 1044 | F | 73.2 | Confident | 70.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.9 | -27.3 | 170.7 | -59.6 | -45.1 | 0 | 0 | 0 | 112 | Y1040 A1041 W1050 L1054 L1057 A1058 V1061 I1068 L1072 | Y1040-F1044 VanDerWaalsContact C-CD2 3.43Å; Y1040-F1044 VanDerWaalsContact CB-CE2 3.43Å; Y1040-F1044 HydrophobicContact CG-CZ 4.2Å; Y1040-F1044 WeakPolarHBondContact O-CD2 3.41Å; Y1040-F1044 VanDerWaalsContact O-CG 3.3Å; Y1040-F1044 WeakPolarHBondContact O-CG 3.49Å; Y1040-F1044 PolarHBondContact O-N 3.31Å; A1041-F1044 PolarHBondContact O-N 2.85Å; F1044-W1050 PolarHBondContact O-NE1 3.42Å; F1044-W1050 VanDerWaalsContact O-NE1 3.09Å; F1044-L1054 HydrophobicContact CD1-CD1 4Å; F1044-L1054 HydrophobicContact CD1-CG 4Å; F1044-L1054 HydrophobicContact CE1-CD1 3.61Å; F1044-L1054 HydrophobicContact CE1-CG 3.95Å; F1044-L1054 WeakPolarHBondContact CE1-O 3.45Å; F1044-L1057 HydrophobicContact CE1-CD2 4.29Å; F1044-L1057 HydrophobicContact CZ-CD2 4.03Å; F1044-L1057 HydrophobicContact CZ-CG 4.5Å; F1044-A1058 HydrophobicContact CD1-CB 3.22Å; F1044-A1058 HydrophobicContact CE1-CB 3.17Å; F1044-A1058 HydrophobicContact CG-CB 4.01Å; F1044-A1058 VanDerWaalsContact CZ-CA 3.45Å; F1044-A1058 HydrophobicContact CZ-CB 3.9Å; F1044-V1061 HydrophobicContact CE2-CG1 4.37Å; F1044-V1061 HydrophobicContact CZ-CB 4.42Å; F1044-V1061 HydrophobicContact CZ-CG2 4.39Å; F1044-I1068 HydrophobicContact CB-CG2 4.03Å; F1044-I1068 HydrophobicContact CD2-CB 4.35Å; F1044-I1068 HydrophobicContact CD2-CD1 3.46Å; F1044-I1068 VanDerWaalsContact CD2-CD1 3.46Å; F1044-I1068 HydrophobicContact CD2-CG1 3.44Å; F1044-I1068 VanDerWaalsContact CD2-CG1 3.44Å; F1044-I1068 HydrophobicContact CD2-CG2 3.83Å; F1044-I1068 HydrophobicContact CE2-CD1 3.21Å; F1044-I1068 HydrophobicContact CE2-CG1 3.8Å; F1044-I1068 HydrophobicContact CE2-CG2 4.47Å; F1044-I1068 HydrophobicContact CG-CG1 4.36Å; F1044-I1068 HydrophobicContact CG-CG2 3.97Å; F1044-I1068 HydrophobicContact CZ-CD1 4.16Å; F1044-L1072 HydrophobicContact CB-CD2 3.96Å; F1044-L1072 HydrophobicContact CB-CG 4.4Å |
| 1045 | A | 70 | Confident | 71 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 37% | 0.372 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.9 | -38.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1042 R1043 I1071 S1075 | D1042-A1045 WeakPolarHBondContact O-CB 3.31Å; D1042-A1045 PolarHBondContact O-N 2.91Å; R1043-A1045 VanDerWaalsContact C-N 3.26Å; A1045-I1071 HydrophobicContact CB-CG2 3.37Å; A1045-S1075 PolarHBondContact O-OG 3.43Å |
| 1046 | D | 71.6 | Confident | 71.4 | Confident | 73 Ų | 73 | 48 Ų | 48 | 39% | 0.39 | 26% | 0.26 | S | S | . | . | trans | -91.7 | 112.5 | -175.5 | -175.2 | 9 | 0 | 0 | 0 | 112.1 | A1048 H1049 | D1046-A1048 PolarHBondContact O-N 3.16Å; D1046-A1048 VanDerWaalsContact O-N 3.11Å; D1046-A1048 WeakPolarHBondContact OD1-CB 3.43Å; D1046-A1048 PolarHBondContact OD1-N 3.5Å; D1046-H1049 PolarHBondContact O-N 3.17Å; D1046-H1049 IonicContact OD2-CE1 3.64Å; D1046-H1049 PolarHBondContact OD2-CE1 3.35Å; D1046-H1049 VanDerWaalsContact OD2-CE1 3.23Å; D1046-H1049 IonicContact OD2-ND1 3.64Å; D1046-H1049 PolarHBondContact OD2-ND1 3.22Å | ||
| 1047 | V | 65.4 | Low | 71.2 | Confident | 59 Ų | 59 | 48 Ų | 48 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -60.5 | -22.4 | 179.4 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | H1049 W1050 V1079 | V1047-H1049 PolarHBondContact O-N 3.18Å; V1047-W1050 HydrophobicContact CB-CD2 4.49Å; V1047-W1050 HydrophobicContact CG1-CD2 4.2Å; V1047-W1050 HydrophobicContact CG1-CE3 4.16Å; V1047-W1050 HydrophobicContact CG1-CG 4.48Å; V1047-W1050 HydrophobicContact CG2-CD2 4.46Å; V1047-W1050 HydrophobicContact CG2-CH2 4.48Å; V1047-W1050 HydrophobicContact CG2-CZ2 4.21Å; V1047-W1050 WeakPolarHBondContact O-CB 3.35Å; V1047-W1050 PolarHBondContact O-N 3.27Å; V1047-V1079 HydrophobicContact CG1-CG2 4.5Å |
| 1048 | A | 67.5 | Low | 71.2 | Confident | 85 Ų | 85 | 45.6 Ų | 45.6 | 70% | 0.702 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -63.9 | -27.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1046 | D1046-A1048 PolarHBondContact O-N 3.16Å; D1046-A1048 VanDerWaalsContact O-N 3.11Å; D1046-A1048 WeakPolarHBondContact OD1-CB 3.43Å; D1046-A1048 PolarHBondContact OD1-N 3.5Å |
| 1049 | H | 66.2 | Low | 70.9 | Confident | 99 Ų | 99 | 39.7 Ų | 39.7 | 46% | 0.458 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -91.4 | -3.3 | -179.7 | -66.5 | 85.5 | 0 | 0 | 0 | 112.8 | D1046 V1047 N1051 L1054 | D1046-H1049 PolarHBondContact O-N 3.17Å; D1046-H1049 IonicContact OD2-CE1 3.64Å; D1046-H1049 PolarHBondContact OD2-CE1 3.35Å; D1046-H1049 VanDerWaalsContact OD2-CE1 3.23Å; D1046-H1049 IonicContact OD2-ND1 3.64Å; D1046-H1049 PolarHBondContact OD2-ND1 3.22Å; V1047-H1049 PolarHBondContact O-N 3.18Å; H1049-N1051 PolarHBondContact O-N 2.95Å; H1049-N1051 VanDerWaalsContact O-N 3.08Å; H1049-L1054 HydrophobicContact CB-CD2 4.1Å; H1049-L1054 WeakPolarHBondContact O-CD2 3.3Å |
| 1050 | W | 73.6 | Confident | 70.5 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 12% | 0.117 | 23% | 0.228 | C | C | . | . | trans | -67.4 | 107.1 | -177.6 | -76.8 | 19.2 | 0 | 0 | 0 | 111.9 | F1044 V1047 I1055 L1072 C1076 | F1044-W1050 PolarHBondContact O-NE1 3.42Å; F1044-W1050 VanDerWaalsContact O-NE1 3.09Å; V1047-W1050 HydrophobicContact CB-CD2 4.49Å; V1047-W1050 HydrophobicContact CG1-CD2 4.2Å; V1047-W1050 HydrophobicContact CG1-CE3 4.16Å; V1047-W1050 HydrophobicContact CG1-CG 4.48Å; V1047-W1050 HydrophobicContact CG2-CD2 4.46Å; V1047-W1050 HydrophobicContact CG2-CH2 4.48Å; V1047-W1050 HydrophobicContact CG2-CZ2 4.21Å; V1047-W1050 WeakPolarHBondContact O-CB 3.35Å; V1047-W1050 PolarHBondContact O-N 3.27Å; W1050-I1055 HydrophobicContact CB-CD1 4.17Å; W1050-I1055 HydrophobicContact CB-CG1 4.34Å; W1050-I1055 HydrophobicContact CD2-CD1 4.17Å; W1050-I1055 HydrophobicContact CD2-CG1 4.38Å; W1050-I1055 HydrophobicContact CE3-CD1 3.9Å; W1050-I1055 HydrophobicContact CG-CD1 4.32Å; W1050-I1055 HydrophobicContact CG-CG1 4.31Å; W1050-L1072 HydrophobicContact CZ2-CD2 3.89Å; W1050-C1076 VanDerWaalsContact CH2-SG 3.58Å | ||
| 1051 | N | 74.9 | Confident | 69.9 | Low | 69 Ų | 69 | 39.3 Ų | 39.3 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | trans | -121.7 | 171 | 167.1 | 67.6 | 33 | 0 | 0 | 0 | 110.1 | H1049 D1053 L1054 I1055 | H1049-N1051 PolarHBondContact O-N 2.95Å; H1049-N1051 VanDerWaalsContact O-N 3.08Å; N1051-D1053 PolarHBondContact O-N 3.1Å; N1051-D1053 PolarHBondContact OD1-N 3.11Å; N1051-D1053 VanDerWaalsContact OD1-N 3.12Å; N1051-L1054 PolarHBondContact O-N 3.15Å; N1051-L1054 VanDerWaalsContact OD1-CB 3.26Å; N1051-L1054 WeakPolarHBondContact OD1-CB 3.19Å; N1051-L1054 PolarHBondContact OD1-N 3.31Å; N1051-I1055 PolarHBondContact O-N 3.49Å | ||
| 1052 | S | 67.4 | Low | 69.7 | Low | 43 Ų | 43 | 38.9 Ų | 38.9 | 30% | 0.301 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.8 | -33 | -177.1 | 76.4 | 0 | 0 | 0 | 0 | 112.8 | S1056 | S1052-S1056 WeakPolarHBondContact O-CB 3.49Å; S1052-S1056 PolarHBondContact O-N 2.7Å; S1052-S1056 PolarHBondContact O-OG 2.77Å |
| 1053 | D | 70.4 | Confident | 68.9 | Low | 47 Ų | 47 | 37.7 Ų | 37.7 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -72.6 | -44.3 | 179.3 | -63.1 | -70.3 | 0 | 0 | 0 | 110.9 | L1018 R1022 N1051 S1056 L1057 | L1018-D1053 HydrophobicContact CD1-CB 4.41Å; L1018-D1053 HydrophobicContact CD2-CB 4.21Å; L1018-D1053 HydrophobicContact CG-CB 4.1Å; R1022-D1053 WeakPolarHBondContact CD-OD1 3.44Å; R1022-D1053 IonicContact CZ-OD1 2.58Å; R1022-D1053 IonicContact NE-OD1 2.91Å; R1022-D1053 PolarHBondContact NE-OD1 3.23Å; R1022-D1053 IonicContact NH1-OD1 2.72Å; R1022-D1053 PolarHBondContact NH1-OD1 3.16Å; N1051-D1053 PolarHBondContact O-N 3.1Å; N1051-D1053 PolarHBondContact OD1-N 3.11Å; N1051-D1053 VanDerWaalsContact OD1-N 3.12Å; D1053-S1056 PolarHBondContact O-N 2.84Å; D1053-L1057 WeakPolarHBondContact O-CA 3.43Å; D1053-L1057 WeakPolarHBondContact O-CB 3.28Å; D1053-L1057 PolarHBondContact O-N 3.3Å |
| 1054 | L | 75 | Confident | 68.4 | Low | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69 | -39.2 | 179.4 | -170.7 | 71 | 0 | 0 | 0 | 111.1 | L1018 Y1040 R1043 F1044 H1049 N1051 L1057 A1058 | L1018-L1054 HydrophobicContact CD1-CD1 4.21Å; Y1040-L1054 HydrophobicContact CD1-CD1 3.65Å; Y1040-L1054 HydrophobicContact CE1-CD1 4.41Å; Y1040-L1054 HydrophobicContact CG-CD1 4.19Å; R1043-L1054 HydrophobicContact CB-CD1 4.38Å; R1043-L1054 HydrophobicContact CB-CD2 4.19Å; F1044-L1054 HydrophobicContact CD1-CD1 4Å; F1044-L1054 HydrophobicContact CD1-CG 4Å; F1044-L1054 HydrophobicContact CE1-CD1 3.61Å; F1044-L1054 HydrophobicContact CE1-CG 3.95Å; F1044-L1054 WeakPolarHBondContact CE1-O 3.45Å; H1049-L1054 HydrophobicContact CB-CD2 4.1Å; H1049-L1054 WeakPolarHBondContact O-CD2 3.3Å; N1051-L1054 PolarHBondContact O-N 3.15Å; N1051-L1054 VanDerWaalsContact OD1-CB 3.26Å; N1051-L1054 WeakPolarHBondContact OD1-CB 3.19Å; N1051-L1054 PolarHBondContact OD1-N 3.31Å; L1054-L1057 HydrophobicContact CD1-CD2 4.34Å; L1054-L1057 CarbonylContact O-C 2.88Å; L1054-L1057 PolarHBondContact O-N 3.32Å; L1054-A1058 WeakPolarHBondContact O-CA 3.2Å; L1054-A1058 WeakPolarHBondContact O-CB 3.34Å; L1054-A1058 PolarHBondContact O-N 3.41Å |
| 1055 | I | 71.1 | Confident | 68 | Low | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.3 | -46.1 | 174.8 | -65.8 | 176.5 | 0 | 0 | 0 | 110.2 | W1050 N1051 L1057 A1058 F1059 C1091 I1094 | W1050-I1055 HydrophobicContact CB-CD1 4.17Å; W1050-I1055 HydrophobicContact CB-CG1 4.34Å; W1050-I1055 HydrophobicContact CD2-CD1 4.17Å; W1050-I1055 HydrophobicContact CD2-CG1 4.38Å; W1050-I1055 HydrophobicContact CE3-CD1 3.9Å; W1050-I1055 HydrophobicContact CG-CD1 4.32Å; W1050-I1055 HydrophobicContact CG-CG1 4.31Å; N1051-I1055 PolarHBondContact O-N 3.49Å; I1055-L1057 PolarHBondContact O-N 2.85Å; I1055-A1058 WeakPolarHBondContact O-CB 3.38Å; I1055-A1058 PolarHBondContact O-N 2.92Å; I1055-A1058 VanDerWaalsContact O-N 3.16Å; I1055-F1059 HydrophobicContact CG2-CD2 3.65Å; I1055-F1059 HydrophobicContact CG2-CE2 3.64Å; I1055-F1059 WeakPolarHBondContact O-CD2 3.49Å; I1055-F1059 PolarHBondContact O-N 3.3Å; I1055-C1091 HydrophobicContact CD1-CB 3.39Å; I1055-I1094 HydrophobicContact CG2-CB 4.45Å; I1055-I1094 HydrophobicContact CG2-CG2 3.87Å |
| 1056 | S | 68.7 | Low | 67.5 | Low | 28 Ų | 28 | 41.7 Ų | 41.7 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.3 | -41 | 173.8 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | S1052 D1053 A1060 | S1052-S1056 WeakPolarHBondContact O-CB 3.49Å; S1052-S1056 PolarHBondContact O-N 2.7Å; S1052-S1056 PolarHBondContact O-OG 2.77Å; D1053-S1056 PolarHBondContact O-N 2.84Å; S1056-A1060 PolarHBondContact O-N 3.08Å; S1056-A1060 VanDerWaalsContact O-N 3.1Å |
| 1057 | L | 68.9 | Low | 67.1 | Low | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -54.5 | 175.1 | -172.6 | 87.4 | 0 | 0 | 0 | 110.1 | L1018 F1021 I1025 I1036 Y1040 F1044 D1053 L1054 I1055 F1059 A1060 V1061 | L1018-L1057 HydrophobicContact CD1-CB 3.77Å; L1018-L1057 HydrophobicContact CD1-CD1 4.27Å; L1018-L1057 HydrophobicContact CD1-CD2 3.33Å; L1018-L1057 HydrophobicContact CD1-CG 3.94Å; F1021-L1057 HydrophobicContact CB-CD1 3.46Å; F1021-L1057 VanDerWaalsContact CB-CD1 3.46Å; I1025-L1057 HydrophobicContact CD1-CB 4.08Å; I1025-L1057 HydrophobicContact CD1-CD1 3.34Å; I1025-L1057 HydrophobicContact CD1-CG 3.88Å; I1025-L1057 WeakPolarHBondContact CD1-O 2.84Å; I1025-L1057 HydrophobicContact CG1-CD1 4.44Å; I1036-L1057 HydrophobicContact CD1-CD1 4.49Å; I1036-L1057 HydrophobicContact CG2-CD1 3.59Å; I1036-L1057 HydrophobicContact CG2-CD2 3.59Å; I1036-L1057 HydrophobicContact CG2-CG 3.75Å; Y1040-L1057 HydrophobicContact CD1-CD2 3.86Å; Y1040-L1057 HydrophobicContact CD2-CD2 3.19Å; Y1040-L1057 HydrophobicContact CE1-CD2 3.97Å; Y1040-L1057 HydrophobicContact CE2-CD2 3.31Å; Y1040-L1057 HydrophobicContact CG-CD2 3.48Å; Y1040-L1057 VanDerWaalsContact CG-CD2 3.48Å; F1044-L1057 HydrophobicContact CE1-CD2 4.29Å; F1044-L1057 HydrophobicContact CZ-CD2 4.03Å; F1044-L1057 HydrophobicContact CZ-CG 4.5Å; D1053-L1057 WeakPolarHBondContact O-CA 3.43Å; D1053-L1057 WeakPolarHBondContact O-CB 3.28Å; D1053-L1057 PolarHBondContact O-N 3.3Å; L1054-L1057 HydrophobicContact CD1-CD2 4.34Å; L1054-L1057 CarbonylContact O-C 2.88Å; L1054-L1057 PolarHBondContact O-N 3.32Å; I1055-L1057 PolarHBondContact O-N 2.85Å; L1057-F1059 PolarHBondContact O-N 2.9Å; L1057-F1059 VanDerWaalsContact O-N 3.12Å; L1057-A1060 CarbonylContact O-C 3.52Å; L1057-A1060 PolarHBondContact O-N 3.14Å; L1057-A1060 VanDerWaalsContact O-N 3.09Å; L1057-V1061 HydrophobicContact CD1-CG2 4.26Å; L1057-V1061 HydrophobicContact CD2-CG2 4.49Å; L1057-V1061 HydrophobicContact CG-CG2 3.87Å; L1057-V1061 WeakPolarHBondContact O-CB 3.39Å; L1057-V1061 WeakPolarHBondContact O-CG2 3.44Å; L1057-V1061 PolarHBondContact O-N 3.15Å |
| 1058 | A | 70.8 | Confident | 67.1 | Low | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -51.5 | -42.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1044 L1054 I1055 N1062 L1072 | F1044-A1058 HydrophobicContact CD1-CB 3.22Å; F1044-A1058 HydrophobicContact CE1-CB 3.17Å; F1044-A1058 HydrophobicContact CG-CB 4.01Å; F1044-A1058 VanDerWaalsContact CZ-CA 3.45Å; F1044-A1058 HydrophobicContact CZ-CB 3.9Å; L1054-A1058 WeakPolarHBondContact O-CA 3.2Å; L1054-A1058 WeakPolarHBondContact O-CB 3.34Å; L1054-A1058 PolarHBondContact O-N 3.41Å; I1055-A1058 WeakPolarHBondContact O-CB 3.38Å; I1055-A1058 PolarHBondContact O-N 2.92Å; I1055-A1058 VanDerWaalsContact O-N 3.16Å; A1058-N1062 WeakPolarHBondContact O-CA 3.21Å; A1058-N1062 WeakPolarHBondContact O-CB 3.46Å; A1058-N1062 PolarHBondContact O-N 3.4Å; A1058-L1072 HydrophobicContact CB-CD1 3.74Å; A1058-L1072 HydrophobicContact CB-CD2 4.07Å; A1058-L1072 HydrophobicContact CB-CG 4.43Å |
| 1059 | F | 64.4 | Low | 67 | Low | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.4 | -50.2 | 177.5 | -89.7 | -65.1 | 0 | 0 | 0 | 114.5 | I1055 L1057 V1061 N1062 K1063 F1095 A1098 L1099 | I1055-F1059 HydrophobicContact CG2-CD2 3.65Å; I1055-F1059 HydrophobicContact CG2-CE2 3.64Å; I1055-F1059 WeakPolarHBondContact O-CD2 3.49Å; I1055-F1059 PolarHBondContact O-N 3.3Å; L1057-F1059 PolarHBondContact O-N 2.9Å; L1057-F1059 VanDerWaalsContact O-N 3.12Å; F1059-V1061 PolarHBondContact O-N 3.12Å; F1059-N1062 WeakPolarHBondContact O-CB 3.02Å; F1059-N1062 PolarHBondContact O-N 3.29Å; F1059-K1063 PolarHBondContact O-N 3.29Å; F1059-F1095 HydrophobicContact CE1-CD2 4.19Å; F1059-F1095 HydrophobicContact CE1-CE2 4.16Å; F1059-F1095 WeakPolarHBondContact CE1-O 3.24Å; F1059-F1095 HydrophobicContact CE2-CB 3.59Å; F1059-F1095 AromaticContact CE2-CD2 3.24Å; F1059-F1095 HydrophobicContact CE2-CD2 3.24Å; F1059-F1095 AromaticContact CE2-CE2 3.94Å; F1059-F1095 HydrophobicContact CE2-CE2 3.94Å; F1059-F1095 AromaticContact CE2-CG 3.64Å; F1059-F1095 HydrophobicContact CE2-CG 3.64Å; F1059-F1095 HydrophobicContact CZ-CB 3.7Å; F1059-F1095 HydrophobicContact CZ-CD1 4.07Å; F1059-F1095 AromaticContact CZ-CD2 3.01Å; F1059-F1095 HydrophobicContact CZ-CD2 3.01Å; F1059-F1095 HydrophobicContact CZ-CE1 4.41Å; F1059-F1095 AromaticContact CZ-CE2 3.33Å; F1059-F1095 HydrophobicContact CZ-CE2 3.33Å; F1059-F1095 AromaticContact CZ-CG 3.33Å; F1059-F1095 HydrophobicContact CZ-CG 3.33Å; F1059-F1095 HydrophobicContact CZ-CZ 4.06Å; F1059-F1095 WeakPolarHBondContact CZ-O 3.34Å; F1059-A1098 HydrophobicContact CB-CB 3.51Å; F1059-A1098 HydrophobicContact CD1-CB 3.14Å; F1059-A1098 WeakPolarHBondContact CD1-O 3.34Å; F1059-A1098 HydrophobicContact CD2-CB 3.55Å; F1059-A1098 HydrophobicContact CE1-CB 3.66Å; F1059-A1098 WeakPolarHBondContact CE1-O 2.91Å; F1059-A1098 HydrophobicContact CE2-CB 4.09Å; F1059-A1098 HydrophobicContact CG-CB 3.04Å; F1059-A1098 HydrophobicContact CZ-CB 4.05Å; F1059-L1099 HydrophobicContact CE1-CG 4.43Å |
| 1060 | A | 67.5 | Low | 67.2 | Low | 7 Ų | 7 | 33 Ų | 33 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -78.9 | -3.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1025 L1033 S1056 L1057 K1063 I1064 | I1025-A1060 HydrophobicContact CB-CB 3.64Å; I1025-A1060 HydrophobicContact CD1-CB 3.49Å; I1025-A1060 VanDerWaalsContact CD1-CB 3.49Å; I1025-A1060 HydrophobicContact CG1-CB 3.28Å; I1025-A1060 HydrophobicContact CG2-CB 3.11Å; L1033-A1060 WeakPolarHBondContact CD2-O 3.44Å; S1056-A1060 PolarHBondContact O-N 3.08Å; S1056-A1060 VanDerWaalsContact O-N 3.1Å; L1057-A1060 CarbonylContact O-C 3.52Å; L1057-A1060 PolarHBondContact O-N 3.14Å; L1057-A1060 VanDerWaalsContact O-N 3.09Å; A1060-K1063 HydrophobicContact CB-CD 4.39Å; A1060-I1064 WeakPolarHBondContact O-CD1 3.33Å |
| 1061 | V | 65.6 | Low | 67 | Low | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -87.5 | -40.4 | 161.2 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | I1025 L1033 I1036 Y1037 F1044 L1057 F1059 K1063 I1064 Q1065 I1068 | I1025-V1061 HydrophobicContact CD1-CG2 4.24Å; L1033-V1061 WeakPolarHBondContact O-CG1 3.34Å; I1036-V1061 HydrophobicContact CB-CG1 4.46Å; I1036-V1061 HydrophobicContact CB-CG2 3.7Å; I1036-V1061 HydrophobicContact CG2-CB 4.36Å; I1036-V1061 HydrophobicContact CG2-CG1 4.36Å; I1036-V1061 HydrophobicContact CG2-CG2 3.07Å; Y1037-V1061 HydrophobicContact CD2-CG1 4.31Å; Y1037-V1061 HydrophobicContact CG-CG1 4.46Å; F1044-V1061 HydrophobicContact CE2-CG1 4.37Å; F1044-V1061 HydrophobicContact CZ-CB 4.42Å; F1044-V1061 HydrophobicContact CZ-CG2 4.39Å; L1057-V1061 HydrophobicContact CD1-CG2 4.26Å; L1057-V1061 HydrophobicContact CD2-CG2 4.49Å; L1057-V1061 HydrophobicContact CG-CG2 3.87Å; L1057-V1061 WeakPolarHBondContact O-CB 3.39Å; L1057-V1061 WeakPolarHBondContact O-CG2 3.44Å; L1057-V1061 PolarHBondContact O-N 3.15Å; F1059-V1061 PolarHBondContact O-N 3.12Å; V1061-K1063 PolarHBondContact O-N 3.4Å; V1061-I1064 PolarHBondContact O-N 3.26Å; V1061-Q1065 PolarHBondContact O-N 2.81Å; V1061-I1068 HydrophobicContact CB-CD1 3.93Å; V1061-I1068 HydrophobicContact CG1-CD1 3.31Å |
| 1062 | N | 65.3 | Low | 66.9 | Low | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.032 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -32.2 | 174.2 | -179.1 | 65.7 | 0 | 0 | 0 | 111.8 | A1058 F1059 I1064 I1068 S1069 | A1058-N1062 WeakPolarHBondContact O-CA 3.21Å; A1058-N1062 WeakPolarHBondContact O-CB 3.46Å; A1058-N1062 PolarHBondContact O-N 3.4Å; F1059-N1062 WeakPolarHBondContact O-CB 3.02Å; F1059-N1062 PolarHBondContact O-N 3.29Å; N1062-I1064 PolarHBondContact O-N 3.24Å; N1062-I1068 HydrophobicContact CB-CB 4.44Å; N1062-I1068 HydrophobicContact CB-CG2 4.49Å; N1062-S1069 WeakPolarHBondContact OD1-CA 3.43Å; N1062-S1069 VanDerWaalsContact OD1-CB 3.25Å; N1062-S1069 WeakPolarHBondContact OD1-CB 3.45Å; N1062-S1069 PolarHBondContact OD1-N 3.1Å; N1062-S1069 VanDerWaalsContact OD1-N 3.08Å |
| 1063 | K | 54.8 | Low | 67.1 | Low | 116 Ų | 116 | 29.6 Ų | 29.6 | 50% | 0.504 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -20.2 | 168.8 | -86 | -176.6 | -176.5 | 178.4 | 0 | 113.5 | F1059 A1060 V1061 D1100 | F1059-K1063 PolarHBondContact O-N 3.29Å; A1060-K1063 HydrophobicContact CB-CD 4.39Å; V1061-K1063 PolarHBondContact O-N 3.4Å; K1063-D1100 WeakPolarHBondContact CA-OD2 3.39Å; K1063-D1100 WeakPolarHBondContact CG-OD2 3.49Å |
| 1064 | I | 64.1 | Low | 67.4 | Low | 39 Ų | 39 | 29.9 Ų | 29.9 | 20% | 0.2 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | -49.9 | -170.5 | -59.6 | 101.1 | 0 | 0 | 0 | 113.6 | V1030 L1033 A1060 V1061 N1062 P1066 | V1030-I1064 HydrophobicContact CB-CG2 4.03Å; V1030-I1064 HydrophobicContact CG1-CG2 3.77Å; V1030-I1064 HydrophobicContact CG2-CG2 4.02Å; L1033-I1064 HydrophobicContact CB-CB 3.44Å; L1033-I1064 VanDerWaalsContact CB-CB 3.44Å; L1033-I1064 HydrophobicContact CB-CD1 3.6Å; L1033-I1064 HydrophobicContact CB-CG1 3.71Å; L1033-I1064 HydrophobicContact CB-CG2 3.47Å; L1033-I1064 VanDerWaalsContact CB-CG2 3.47Å; L1033-I1064 HydrophobicContact CD1-CB 3.99Å; L1033-I1064 HydrophobicContact CD1-CD1 3.18Å; L1033-I1064 HydrophobicContact CD1-CG1 3.24Å; L1033-I1064 HydrophobicContact CD1-CG2 4.07Å; L1033-I1064 HydrophobicContact CD2-CD1 3.34Å; L1033-I1064 HydrophobicContact CD2-CG1 4.29Å; L1033-I1064 HydrophobicContact CG-CB 4.14Å; L1033-I1064 HydrophobicContact CG-CD1 3.4Å; L1033-I1064 VanDerWaalsContact CG-CD1 3.4Å; L1033-I1064 HydrophobicContact CG-CG1 3.8Å; L1033-I1064 HydrophobicContact CG-CG2 4.33Å; A1060-I1064 WeakPolarHBondContact O-CD1 3.33Å; V1061-I1064 PolarHBondContact O-N 3.26Å; N1062-I1064 PolarHBondContact O-N 3.24Å; I1064-P1066 VanDerWaalsContact C-CD 3.45Å; I1064-P1066 WeakPolarHBondContact O-CD 3.46Å |
| 1065 | Q | 65.2 | Low | 67.4 | Low | 72 Ų | 72 | 29.9 Ų | 29.9 | 34% | 0.336 | 18% | 0.177 | S | C | . | . | trans | -107.9 | 88.4 | 167.7 | -84.8 | -162.1 | -28.1 | 0 | 0 | 109.3 | S1034 Y1037 V1061 G1067 | S1034-Q1065 VanDerWaalsContact CA-CD 3.49Å; S1034-Q1065 VanDerWaalsContact CA-OE1 3.27Å; S1034-Q1065 VanDerWaalsContact CB-CD 3.48Å; Y1037-Q1065 HydrophobicContact CD2-CB 3.27Å; Y1037-Q1065 HydrophobicContact CD2-CG 4.41Å; Y1037-Q1065 VanDerWaalsContact CD2-O 3.3Å; Y1037-Q1065 WeakPolarHBondContact CD2-O 3.44Å; Y1037-Q1065 HydrophobicContact CE2-CB 3.87Å; Y1037-Q1065 WeakPolarHBondContact CE2-O 3.31Å; Y1037-Q1065 HydrophobicContact CG-CB 3.7Å; Y1037-Q1065 HydrophobicContact CG-CG 4.44Å; V1061-Q1065 PolarHBondContact O-N 2.81Å; Q1065-G1067 PolarHBondContact O-N 2.84Å | ||
| 1066 | P | 58.9 | Low | 67.6 | Low | 88 Ų | 88 | 29.8 Ų | 29.8 | 57% | 0.571 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 7.4 | -176.2 | 23.5 | -33.4 | 0 | 0 | 0 | 115.8 | I1064 I1068 S1069 P1070 | I1064-P1066 VanDerWaalsContact C-CD 3.45Å; I1064-P1066 WeakPolarHBondContact O-CD 3.46Å; P1066-I1068 PolarHBondContact O-N 3.22Å; P1066-S1069 PolarHBondContact O-N 3.03Å; P1066-P1070 WeakPolarHBondContact O-CD 3.5Å |
| 1067 | G | 62.7 | Low | 67.8 | Low | 36 Ų | 36 | 33.8 Ų | 33.8 | 37% | 0.371 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -13.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q1065 P1070 | Q1065-G1067 PolarHBondContact O-N 2.84Å; G1067-P1070 WeakPolarHBondContact O-CD 3.04Å |
| 1068 | I | 66.7 | Low | 68.2 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -78.8 | -33.4 | 174.6 | -75.2 | 154.6 | 0 | 0 | 0 | 111.2 | Y1037 F1044 V1061 N1062 P1066 I1071 L1072 | Y1037-I1068 HydrophobicContact CD2-CB 4.49Å; Y1037-I1068 HydrophobicContact CD2-CD1 3.18Å; Y1037-I1068 HydrophobicContact CD2-CG1 3.41Å; Y1037-I1068 VanDerWaalsContact CD2-CG1 3.41Å; Y1037-I1068 HydrophobicContact CE2-CB 4.2Å; Y1037-I1068 HydrophobicContact CE2-CD1 3.71Å; Y1037-I1068 HydrophobicContact CE2-CG1 3.33Å; Y1037-I1068 HydrophobicContact CG-CD1 4.03Å; Y1037-I1068 HydrophobicContact CG-CG1 4.42Å; F1044-I1068 HydrophobicContact CB-CG2 4.03Å; F1044-I1068 HydrophobicContact CD2-CB 4.35Å; F1044-I1068 HydrophobicContact CD2-CD1 3.46Å; F1044-I1068 VanDerWaalsContact CD2-CD1 3.46Å; F1044-I1068 HydrophobicContact CD2-CG1 3.44Å; F1044-I1068 VanDerWaalsContact CD2-CG1 3.44Å; F1044-I1068 HydrophobicContact CD2-CG2 3.83Å; F1044-I1068 HydrophobicContact CE2-CD1 3.21Å; F1044-I1068 HydrophobicContact CE2-CG1 3.8Å; F1044-I1068 HydrophobicContact CE2-CG2 4.47Å; F1044-I1068 HydrophobicContact CG-CG1 4.36Å; F1044-I1068 HydrophobicContact CG-CG2 3.97Å; F1044-I1068 HydrophobicContact CZ-CD1 4.16Å; V1061-I1068 HydrophobicContact CB-CD1 3.93Å; V1061-I1068 HydrophobicContact CG1-CD1 3.31Å; N1062-I1068 HydrophobicContact CB-CB 4.44Å; N1062-I1068 HydrophobicContact CB-CG2 4.49Å; P1066-I1068 PolarHBondContact O-N 3.22Å; I1068-I1071 WeakPolarHBondContact O-CB 3.37Å; I1068-I1071 PolarHBondContact O-N 3.11Å; I1068-L1072 HydrophobicContact CG2-CD1 3.36Å; I1068-L1072 HydrophobicContact CG2-CD2 4.39Å; I1068-L1072 HydrophobicContact CG2-CG 3.45Å; I1068-L1072 VanDerWaalsContact CG2-CG 3.45Å; I1068-L1072 PolarHBondContact O-N 3.15Å |
| 1069 | S | 64.6 | Low | 68.3 | Low | 14 Ų | 14 | 41.6 Ų | 41.6 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -51.5 | -49.7 | -176.6 | -167.2 | 0 | 0 | 0 | 0 | 112.2 | N1062 P1066 I1071 L1072 F1073 | N1062-S1069 WeakPolarHBondContact OD1-CA 3.43Å; N1062-S1069 VanDerWaalsContact OD1-CB 3.25Å; N1062-S1069 WeakPolarHBondContact OD1-CB 3.45Å; N1062-S1069 PolarHBondContact OD1-N 3.1Å; N1062-S1069 VanDerWaalsContact OD1-N 3.08Å; P1066-S1069 PolarHBondContact O-N 3.03Å; S1069-I1071 VanDerWaalsContact C-N 3.3Å; S1069-I1071 PolarHBondContact O-N 2.74Å; S1069-L1072 PolarHBondContact O-N 2.67Å; S1069-F1073 WeakPolarHBondContact O-CA 3.43Å; S1069-F1073 WeakPolarHBondContact O-CB 3.03Å; S1069-F1073 PolarHBondContact O-N 2.77Å |
| 1070 | P | 69.6 | Low | 68.5 | Low | 83 Ų | 83 | 42.5 Ų | 42.5 | 54% | 0.539 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.3 | -37.8 | 178.7 | -20.8 | 32.2 | 0 | 0 | 0 | 113.4 | P1066 G1067 S1074 | P1066-P1070 WeakPolarHBondContact O-CD 3.5Å; G1067-P1070 WeakPolarHBondContact O-CD 3.04Å; P1070-S1074 WeakPolarHBondContact O-CB 3.11Å; P1070-S1074 PolarHBondContact O-N 3.36Å; P1070-S1074 PolarHBondContact O-OG 3.28Å |
| 1071 | I | 71.4 | Confident | 68.6 | Low | 51 Ų | 51 | 46.6 Ų | 46.6 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.3 | -55.3 | 179 | -66.6 | 175.2 | 0 | 0 | 0 | 109.6 | A1045 I1068 S1069 F1073 S1074 S1075 | A1045-I1071 HydrophobicContact CB-CG2 3.37Å; I1068-I1071 WeakPolarHBondContact O-CB 3.37Å; I1068-I1071 PolarHBondContact O-N 3.11Å; S1069-I1071 VanDerWaalsContact C-N 3.3Å; S1069-I1071 PolarHBondContact O-N 2.74Å; I1071-F1073 VanDerWaalsContact C-N 3.29Å; I1071-F1073 PolarHBondContact O-N 2.74Å; I1071-S1074 PolarHBondContact O-N 3.4Å; I1071-S1074 PolarHBondContact O-OG 3.32Å; I1071-S1075 PolarHBondContact O-N 3.3Å; I1071-S1075 PolarHBondContact O-OG 3.36Å |
| 1072 | L | 71 | Confident | 68.8 | Low | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -39.9 | 176.6 | -69.5 | 174 | 0 | 0 | 0 | 111.8 | F1044 W1050 A1058 I1068 S1069 S1075 C1076 F1095 | F1044-L1072 HydrophobicContact CB-CD2 3.96Å; F1044-L1072 HydrophobicContact CB-CG 4.4Å; W1050-L1072 HydrophobicContact CZ2-CD2 3.89Å; A1058-L1072 HydrophobicContact CB-CD1 3.74Å; A1058-L1072 HydrophobicContact CB-CD2 4.07Å; A1058-L1072 HydrophobicContact CB-CG 4.43Å; I1068-L1072 HydrophobicContact CG2-CD1 3.36Å; I1068-L1072 HydrophobicContact CG2-CD2 4.39Å; I1068-L1072 HydrophobicContact CG2-CG 3.45Å; I1068-L1072 VanDerWaalsContact CG2-CG 3.45Å; I1068-L1072 PolarHBondContact O-N 3.15Å; S1069-L1072 PolarHBondContact O-N 2.67Å; L1072-S1075 CarbonylContact O-C 3.49Å; L1072-S1075 PolarHBondContact O-N 3.18Å; L1072-C1076 WeakPolarHBondContact O-CB 3.41Å; L1072-C1076 PolarHBondContact O-N 3.29Å; L1072-C1076 PolarHBondContact O-SG 2.86Å; L1072-F1095 HydrophobicContact CB-CE2 3.66Å; L1072-F1095 HydrophobicContact CB-CZ 4.38Å; L1072-F1095 HydrophobicContact CD1-CE2 4.01Å; L1072-F1095 HydrophobicContact CG-CE2 4.39Å |
| 1073 | F | 72.6 | Confident | 68.6 | Low | 19 Ų | 19 | 53.9 Ų | 53.9 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | -179.9 | -170.7 | -95.4 | 0 | 0 | 0 | 111.4 | S1069 I1071 S1075 C1076 R1077 S1104 E1107 L1108 | S1069-F1073 WeakPolarHBondContact O-CA 3.43Å; S1069-F1073 WeakPolarHBondContact O-CB 3.03Å; S1069-F1073 PolarHBondContact O-N 2.77Å; I1071-F1073 VanDerWaalsContact C-N 3.29Å; I1071-F1073 PolarHBondContact O-N 2.74Å; F1073-S1075 VanDerWaalsContact C-N 3.29Å; F1073-S1075 PolarHBondContact O-N 3.39Å; F1073-C1076 PolarHBondContact O-N 3.01Å; F1073-R1077 VanDerWaalsContact O-CB 3.23Å; F1073-R1077 WeakPolarHBondContact O-CB 3.45Å; F1073-R1077 PolarHBondContact O-N 3.06Å; F1073-S1104 VanDerWaalsContact CE2-CA 3.45Å; F1073-S1104 VanDerWaalsContact CE2-O 3.23Å; F1073-S1104 WeakPolarHBondContact CE2-O 3.34Å; F1073-E1107 HydrophobicContact CE1-CG 4.47Å; F1073-E1107 HydrophobicContact CZ-CB 3.97Å; F1073-E1107 HydrophobicContact CZ-CG 4.02Å; F1073-L1108 HydrophobicContact CD2-CD1 3.82Å; F1073-L1108 HydrophobicContact CD2-CG 4.19Å; F1073-L1108 HydrophobicContact CE2-CD1 3.39Å; F1073-L1108 HydrophobicContact CE2-CD2 4.02Å; F1073-L1108 HydrophobicContact CE2-CG 3.34Å; F1073-L1108 HydrophobicContact CZ-CD1 4.35Å; F1073-L1108 HydrophobicContact CZ-CD2 4.25Å; F1073-L1108 HydrophobicContact CZ-CG 3.82Å |
| 1074 | S | 75.5 | Confident | 68.8 | Low | 53 Ų | 53 | 52.9 Ų | 52.9 | 37% | 0.371 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 174.3 | 76.6 | 0 | 0 | 0 | 0 | 111.3 | P1070 I1071 K1078 | P1070-S1074 WeakPolarHBondContact O-CB 3.11Å; P1070-S1074 PolarHBondContact O-N 3.36Å; P1070-S1074 PolarHBondContact O-OG 3.28Å; I1071-S1074 PolarHBondContact O-N 3.4Å; I1071-S1074 PolarHBondContact O-OG 3.32Å; S1074-K1078 WeakPolarHBondContact O-CG 3.13Å; S1074-K1078 PolarHBondContact O-N 2.83Å; S1074-K1078 VanDerWaalsContact O-N 3.09Å |
| 1075 | S | 75.1 | Confident | 68.6 | Low | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.8 | -43.7 | 174.6 | -67 | 0 | 0 | 0 | 0 | 111.7 | A1045 I1071 L1072 F1073 R1077 K1078 V1079 | A1045-S1075 PolarHBondContact O-OG 3.43Å; I1071-S1075 PolarHBondContact O-N 3.3Å; I1071-S1075 PolarHBondContact O-OG 3.36Å; L1072-S1075 CarbonylContact O-C 3.49Å; L1072-S1075 PolarHBondContact O-N 3.18Å; F1073-S1075 VanDerWaalsContact C-N 3.29Å; F1073-S1075 PolarHBondContact O-N 3.39Å; S1075-R1077 PolarHBondContact O-N 3.05Å; S1075-K1078 WeakPolarHBondContact O-CB 3.35Å; S1075-K1078 PolarHBondContact O-N 2.91Å; S1075-V1079 VanDerWaalsContact O-CG2 3.29Å; S1075-V1079 WeakPolarHBondContact O-CG2 3.44Å; S1075-V1079 PolarHBondContact O-N 2.64Å |
| 1076 | C | 75.2 | Confident | 68.4 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 173.4 | -83.3 | 0 | 0 | 0 | 0 | 112.2 | W1050 L1072 F1073 K1078 V1079 V1080 F1095 | W1050-C1076 VanDerWaalsContact CH2-SG 3.58Å; L1072-C1076 WeakPolarHBondContact O-CB 3.41Å; L1072-C1076 PolarHBondContact O-N 3.29Å; L1072-C1076 PolarHBondContact O-SG 2.86Å; F1073-C1076 PolarHBondContact O-N 3.01Å; C1076-K1078 VanDerWaalsContact C-N 3.34Å; C1076-K1078 PolarHBondContact O-N 2.87Å; C1076-V1079 CarbonylContact O-C 3.44Å; C1076-V1079 WeakPolarHBondContact O-CA 3.17Å; C1076-V1079 PolarHBondContact O-N 2.7Å; C1076-V1080 WeakPolarHBondContact O-CG2 3.05Å; C1076-V1080 PolarHBondContact O-N 3.23Å; C1076-F1095 HydrophobicContact CB-CE1 4.05Å; C1076-F1095 HydrophobicContact CB-CZ 4.15Å; C1076-F1095 WeakPolarHBondContact SG-CD1 3.46Å; C1076-F1095 WeakPolarHBondContact SG-CD2 3.46Å; C1076-F1095 WeakPolarHBondContact SG-CE1 3.17Å; C1076-F1095 VanDerWaalsContact SG-CE2 3.5Å; C1076-F1095 VanDerWaalsContact SG-CG 3.54Å; C1076-F1095 WeakPolarHBondContact SG-CZ 3.42Å |
| 1077 | R | 74.9 | Confident | 68.5 | Low | 112 Ų | 112 | 58.3 Ų | 58.3 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 176.9 | -177.5 | 173.9 | 173.4 | 168.4 | -6.1 | 110.7 | F1073 S1075 V1079 V1080 D1081 E1107 | F1073-R1077 VanDerWaalsContact O-CB 3.23Å; F1073-R1077 WeakPolarHBondContact O-CB 3.45Å; F1073-R1077 PolarHBondContact O-N 3.06Å; S1075-R1077 PolarHBondContact O-N 3.05Å; R1077-V1079 VanDerWaalsContact C-N 3.27Å; R1077-V1079 PolarHBondContact O-N 2.82Å; R1077-V1080 PolarHBondContact O-N 2.91Å; R1077-D1081 WeakPolarHBondContact O-CB 3.16Å; R1077-D1081 PolarHBondContact O-N 2.72Å; R1077-E1107 IonicContact CZ-OE1 2.61Å; R1077-E1107 IonicContact NH1-OE1 3.46Å; R1077-E1107 PolarHBondContact NH1-OE1 3.32Å |
| 1078 | K | 75.5 | Confident | 68.4 | Low | 149 Ų | 149 | 58.3 Ų | 58.3 | 65% | 0.648 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.3 | -38.4 | 172.1 | -71.8 | 172 | -177.1 | 175.2 | 0 | 112.1 | S1074 S1075 C1076 S1082 | S1074-K1078 WeakPolarHBondContact O-CG 3.13Å; S1074-K1078 PolarHBondContact O-N 2.83Å; S1074-K1078 VanDerWaalsContact O-N 3.09Å; S1075-K1078 WeakPolarHBondContact O-CB 3.35Å; S1075-K1078 PolarHBondContact O-N 2.91Å; C1076-K1078 VanDerWaalsContact C-N 3.34Å; C1076-K1078 PolarHBondContact O-N 2.87Å; K1078-S1082 WeakPolarHBondContact O-CB 3.45Å; K1078-S1082 PolarHBondContact O-N 3.22Å |
| 1079 | V | 72.9 | Confident | 68.5 | Low | 15 Ų | 15 | 60.3 Ų | 60.3 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.4 | -36.9 | 177.8 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | V1047 S1075 C1076 R1077 S1082 L1085 L1092 | V1047-V1079 HydrophobicContact CG1-CG2 4.5Å; S1075-V1079 VanDerWaalsContact O-CG2 3.29Å; S1075-V1079 WeakPolarHBondContact O-CG2 3.44Å; S1075-V1079 PolarHBondContact O-N 2.64Å; C1076-V1079 CarbonylContact O-C 3.44Å; C1076-V1079 WeakPolarHBondContact O-CA 3.17Å; C1076-V1079 PolarHBondContact O-N 2.7Å; R1077-V1079 VanDerWaalsContact C-N 3.27Å; R1077-V1079 PolarHBondContact O-N 2.82Å; V1079-S1082 WeakPolarHBondContact CA-OG 3.14Å; V1079-S1082 WeakPolarHBondContact O-CB 3.22Å; V1079-S1082 PolarHBondContact O-N 3.31Å; V1079-S1082 VanDerWaalsContact O-N 3.14Å; V1079-S1082 PolarHBondContact O-OG 3.33Å; V1079-L1085 HydrophobicContact CG1-CD1 4.26Å; V1079-L1092 HydrophobicContact CG1-CD1 3.89Å; V1079-L1092 HydrophobicContact CG1-CD2 4.43Å |
| 1080 | V | 69.1 | Low | 69 | Low | 25 Ų | 25 | 66.1 Ų | 66.1 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.8 | -34.8 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | C1076 R1077 S1082 L1085 L1108 L1111 F1123 | C1076-V1080 WeakPolarHBondContact O-CG2 3.05Å; C1076-V1080 PolarHBondContact O-N 3.23Å; R1077-V1080 PolarHBondContact O-N 2.91Å; V1080-S1082 VanDerWaalsContact C-N 3.27Å; V1080-L1085 HydrophobicContact CB-CD1 4.32Å; V1080-L1085 HydrophobicContact CG2-CD1 3.88Å; V1080-L1108 HydrophobicContact CG2-CD2 4.13Å; V1080-L1111 HydrophobicContact CB-CD2 4.01Å; V1080-L1111 HydrophobicContact CG1-CD2 3.29Å; V1080-F1123 HydrophobicContact CG2-CE1 4.37Å |
| 1081 | D | 70.2 | Confident | 69.1 | Low | 93 Ų | 93 | 63.6 Ų | 63.6 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.2 | -24.2 | 169.7 | -74.1 | -26.8 | 0 | 0 | 0 | 111.7 | R1077 | R1077-D1081 WeakPolarHBondContact O-CB 3.16Å; R1077-D1081 PolarHBondContact O-N 2.72Å |
| 1082 | S | 68.7 | Low | 69.3 | Low | 39 Ų | 39 | 61.1 Ų | 61.1 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -77.2 | 143.7 | 178.6 | 83.8 | 0 | 0 | 0 | 0 | 112.4 | K1078 V1079 V1080 N1084 | K1078-S1082 WeakPolarHBondContact O-CB 3.45Å; K1078-S1082 PolarHBondContact O-N 3.22Å; V1079-S1082 WeakPolarHBondContact CA-OG 3.14Å; V1079-S1082 WeakPolarHBondContact O-CB 3.22Å; V1079-S1082 PolarHBondContact O-N 3.31Å; V1079-S1082 VanDerWaalsContact O-N 3.14Å; V1079-S1082 PolarHBondContact O-OG 3.33Å; V1080-S1082 VanDerWaalsContact C-N 3.27Å; S1082-N1084 PolarHBondContact O-N 2.9Å; S1082-N1084 VanDerWaalsContact O-N 3.11Å |
| 1083 | P | 63 | Low | 69.6 | Low | 120 Ų | 120 | 62.7 Ų | 62.7 | 78% | 0.779 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.7 | 177.3 | 25.4 | -33 | 0 | 0 | 0 | 113.7 | L1085 | P1083-L1085 PolarHBondContact O-N 3.24Š|
| 1084 | N | 58 | Low | 69.6 | Low | 95 Ų | 95 | 63.8 Ų | 63.8 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 17.9 | -172 | -70.2 | -13.8 | 0 | 0 | 0 | 114.9 | S1082 I1086 Q1087 | S1082-N1084 PolarHBondContact O-N 2.9Å; S1082-N1084 VanDerWaalsContact O-N 3.11Å; N1084-I1086 PolarHBondContact O-N 2.76Å; N1084-Q1087 PolarHBondContact O-N 3.3Å |
| 1085 | L | 59.9 | Low | 69.7 | Low | 10 Ų | 10 | 61.4 Ų | 61.4 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -46.3 | -38 | 179.8 | -164.9 | 79.3 | 0 | 0 | 0 | 113.6 | V1079 V1080 P1083 Q1087 S1088 D1089 L1092 | V1079-L1085 HydrophobicContact CG1-CD1 4.26Å; V1080-L1085 HydrophobicContact CB-CD1 4.32Å; V1080-L1085 HydrophobicContact CG2-CD1 3.88Å; P1083-L1085 PolarHBondContact O-N 3.24Å; L1085-Q1087 VanDerWaalsContact C-N 3.28Å; L1085-Q1087 PolarHBondContact O-N 3.18Å; L1085-S1088 CarbonylContact O-C 3.55Å; L1085-S1088 PolarHBondContact O-N 3.11Å; L1085-S1088 VanDerWaalsContact O-N 3.09Å; L1085-D1089 PolarHBondContact O-N 3.41Å; L1085-L1092 HydrophobicContact CD1-CD1 3.23Å; L1085-L1092 HydrophobicContact CG-CD1 3.82Å |
| 1086 | I | 60.9 | Low | 69.8 | Low | 138 Ų | 138 | 61.1 Ų | 61.1 | 71% | 0.708 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.1 | -35.3 | -175.2 | -55.8 | 174.2 | 0 | 0 | 0 | 111.5 | N1084 S1088 D1089 | N1084-I1086 PolarHBondContact O-N 2.76Å; I1086-S1088 VanDerWaalsContact C-N 3.28Å; I1086-S1088 PolarHBondContact O-N 2.94Å; I1086-D1089 PolarHBondContact O-N 3.18Å |
| 1087 | Q | 61.6 | Low | 69.7 | Low | 165 Ų | 165 | 63.4 Ų | 63.4 | 77% | 0.771 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.2 | -28.6 | 178.7 | -68.6 | -177.9 | -10 | 0 | 0 | 112.3 | N1084 L1085 | N1084-Q1087 PolarHBondContact O-N 3.3Å; L1085-Q1087 VanDerWaalsContact C-N 3.28Å; L1085-Q1087 PolarHBondContact O-N 3.18Å |
| 1088 | S | 61.2 | Low | 69.6 | Low | 36 Ų | 36 | 59 Ų | 59 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -101.6 | 4.2 | 179.8 | -61.3 | 0 | 0 | 0 | 0 | 113.2 | L1085 I1086 H1090 C1091 L1092 | L1085-S1088 CarbonylContact O-C 3.55Å; L1085-S1088 PolarHBondContact O-N 3.11Å; L1085-S1088 VanDerWaalsContact O-N 3.09Å; I1086-S1088 VanDerWaalsContact C-N 3.28Å; I1086-S1088 PolarHBondContact O-N 2.94Å; S1088-H1090 PolarHBondContact O-N 3.06Å; S1088-H1090 VanDerWaalsContact O-N 3.09Å; S1088-C1091 PolarHBondContact O-N 3.26Å; S1088-C1091 VanDerWaalsContact O-N 3.08Å; S1088-L1092 WeakPolarHBondContact O-CB 3.14Å; S1088-L1092 VanDerWaalsContact O-CG 3.29Å; S1088-L1092 WeakPolarHBondContact O-CG 3.13Å; S1088-L1092 PolarHBondContact O-N 2.87Å |
| 1089 | D | 68.8 | Low | 69.5 | Low | 42 Ų | 42 | 51.9 Ų | 51.9 | 23% | 0.225 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57 | -32.5 | -173.4 | -172.3 | 67.6 | 0 | 0 | 0 | 112.4 | L1085 I1086 L1092 T1093 T1122 | L1085-D1089 PolarHBondContact O-N 3.41Å; I1086-D1089 PolarHBondContact O-N 3.18Å; D1089-L1092 PolarHBondContact O-N 3.29Å; D1089-T1093 VanDerWaalsContact O-CB 3.22Å; D1089-T1093 WeakPolarHBondContact O-CB 3.27Å; D1089-T1093 PolarHBondContact O-N 3.23Å; D1089-T1093 PolarHBondContact O-OG1 2.79Å; D1089-T1122 PolarHBondContact OD2-OG1 3.1Å; D1089-T1122 VanDerWaalsContact OD2-OG1 3.05Å |
| 1090 | H | 73.9 | Confident | 69.6 | Low | 135 Ų | 135 | 53.8 Ų | 53.8 | 63% | 0.625 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.2 | -51.1 | 176.5 | -172.5 | 57 | 0 | 0 | 0 | 112.4 | S1088 L1092 T1093 I1094 | S1088-H1090 PolarHBondContact O-N 3.06Å; S1088-H1090 VanDerWaalsContact O-N 3.09Å; H1090-L1092 VanDerWaalsContact C-N 3.26Å; H1090-L1092 PolarHBondContact O-N 2.95Å; H1090-T1093 PolarHBondContact O-N 2.85Å; H1090-I1094 WeakPolarHBondContact O-CG1 3.44Å; H1090-I1094 PolarHBondContact O-N 3.38Å |
| 1091 | C | 72.7 | Confident | 69.9 | Low | 30 Ų | 30 | 55.5 Ų | 55.5 | 20% | 0.203 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 174.7 | -73.3 | 0 | 0 | 0 | 0 | 111.2 | I1055 S1088 F1095 | I1055-C1091 HydrophobicContact CD1-CB 3.39Å; S1088-C1091 PolarHBondContact O-N 3.26Å; S1088-C1091 VanDerWaalsContact O-N 3.08Å; C1091-F1095 VanDerWaalsContact O-CB 3.31Å; C1091-F1095 WeakPolarHBondContact O-CB 3.1Å; C1091-F1095 PolarHBondContact O-N 2.72Å |
| 1092 | L | 75.2 | Confident | 70.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.6 | -32.1 | 178.5 | -69.5 | 169.1 | 0 | 0 | 0 | 113.5 | V1079 L1085 S1088 D1089 H1090 F1095 A1096 F1123 | V1079-L1092 HydrophobicContact CG1-CD1 3.89Å; V1079-L1092 HydrophobicContact CG1-CD2 4.43Å; L1085-L1092 HydrophobicContact CD1-CD1 3.23Å; L1085-L1092 HydrophobicContact CG-CD1 3.82Å; S1088-L1092 WeakPolarHBondContact O-CB 3.14Å; S1088-L1092 VanDerWaalsContact O-CG 3.29Å; S1088-L1092 WeakPolarHBondContact O-CG 3.13Å; S1088-L1092 PolarHBondContact O-N 2.87Å; D1089-L1092 PolarHBondContact O-N 3.29Å; H1090-L1092 VanDerWaalsContact C-N 3.26Å; H1090-L1092 PolarHBondContact O-N 2.95Å; L1092-F1095 CarbonylContact O-C 2.92Å; L1092-F1095 WeakPolarHBondContact O-CA 2.79Å; L1092-F1095 WeakPolarHBondContact O-CB 3.41Å; L1092-F1095 PolarHBondContact O-N 3.48Å; L1092-F1095 VanDerWaalsContact O-N 3.16Å; L1092-A1096 PolarHBondContact O-N 3.19Å; L1092-F1123 HydrophobicContact CB-CD2 4.03Å; L1092-F1123 HydrophobicContact CB-CE2 4.15Å; L1092-F1123 VanDerWaalsContact O-CD2 3.23Å; L1092-F1123 WeakPolarHBondContact O-CD2 3.45Å; L1092-F1123 VanDerWaalsContact O-CE2 3.3Å; L1092-F1123 WeakPolarHBondContact O-CE2 3.31Å |
| 1093 | T | 76.2 | Confident | 71.1 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.7 | -42 | 174.5 | -61.5 | 0 | 0 | 0 | 0 | 110.2 | D1089 H1090 F1095 A1096 A1097 | D1089-T1093 VanDerWaalsContact O-CB 3.22Å; D1089-T1093 WeakPolarHBondContact O-CB 3.27Å; D1089-T1093 PolarHBondContact O-N 3.23Å; D1089-T1093 PolarHBondContact O-OG1 2.79Å; H1090-T1093 PolarHBondContact O-N 2.85Å; T1093-F1095 PolarHBondContact O-N 3.03Å; T1093-A1096 PolarHBondContact O-N 3.35Å; T1093-A1097 VanDerWaalsContact O-CB 3.3Å; T1093-A1097 WeakPolarHBondContact O-CB 3.48Å; T1093-A1097 PolarHBondContact O-N 3.1Å |
| 1094 | I | 73.4 | Confident | 71.9 | Confident | 43 Ų | 43 | 47.4 Ų | 47.4 | 22% | 0.221 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.2 | -36.7 | 167.7 | -64.2 | 164.3 | 0 | 0 | 0 | 109.1 | I1055 H1090 A1098 | I1055-I1094 HydrophobicContact CG2-CB 4.45Å; I1055-I1094 HydrophobicContact CG2-CG2 3.87Å; H1090-I1094 WeakPolarHBondContact O-CG1 3.44Å; H1090-I1094 PolarHBondContact O-N 3.38Å; I1094-A1098 WeakPolarHBondContact O-CB 3.18Å; I1094-A1098 PolarHBondContact O-N 3.46Å |
| 1095 | F | 78 | Confident | 73.1 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.6 | -53 | 176.5 | -179.2 | -79.6 | 0 | 0 | 0 | 114.6 | F1059 L1072 C1076 C1091 L1092 T1093 A1097 A1098 L1099 L1108 | F1059-F1095 HydrophobicContact CE1-CD2 4.19Å; F1059-F1095 HydrophobicContact CE1-CE2 4.16Å; F1059-F1095 WeakPolarHBondContact CE1-O 3.24Å; F1059-F1095 HydrophobicContact CE2-CB 3.59Å; F1059-F1095 AromaticContact CE2-CD2 3.24Å; F1059-F1095 HydrophobicContact CE2-CD2 3.24Å; F1059-F1095 AromaticContact CE2-CE2 3.94Å; F1059-F1095 HydrophobicContact CE2-CE2 3.94Å; F1059-F1095 AromaticContact CE2-CG 3.64Å; F1059-F1095 HydrophobicContact CE2-CG 3.64Å; F1059-F1095 HydrophobicContact CZ-CB 3.7Å; F1059-F1095 HydrophobicContact CZ-CD1 4.07Å; F1059-F1095 AromaticContact CZ-CD2 3.01Å; F1059-F1095 HydrophobicContact CZ-CD2 3.01Å; F1059-F1095 HydrophobicContact CZ-CE1 4.41Å; F1059-F1095 AromaticContact CZ-CE2 3.33Å; F1059-F1095 HydrophobicContact CZ-CE2 3.33Å; F1059-F1095 AromaticContact CZ-CG 3.33Å; F1059-F1095 HydrophobicContact CZ-CG 3.33Å; F1059-F1095 HydrophobicContact CZ-CZ 4.06Å; F1059-F1095 WeakPolarHBondContact CZ-O 3.34Å; L1072-F1095 HydrophobicContact CB-CE2 3.66Å; L1072-F1095 HydrophobicContact CB-CZ 4.38Å; L1072-F1095 HydrophobicContact CD1-CE2 4.01Å; L1072-F1095 HydrophobicContact CG-CE2 4.39Å; C1076-F1095 HydrophobicContact CB-CE1 4.05Å; C1076-F1095 HydrophobicContact CB-CZ 4.15Å; C1076-F1095 WeakPolarHBondContact SG-CD1 3.46Å; C1076-F1095 WeakPolarHBondContact SG-CD2 3.46Å; C1076-F1095 WeakPolarHBondContact SG-CE1 3.17Å; C1076-F1095 VanDerWaalsContact SG-CE2 3.5Å; C1076-F1095 VanDerWaalsContact SG-CG 3.54Å; C1076-F1095 WeakPolarHBondContact SG-CZ 3.42Å; C1091-F1095 VanDerWaalsContact O-CB 3.31Å; C1091-F1095 WeakPolarHBondContact O-CB 3.1Å; C1091-F1095 PolarHBondContact O-N 2.72Å; L1092-F1095 CarbonylContact O-C 2.92Å; L1092-F1095 WeakPolarHBondContact O-CA 2.79Å; L1092-F1095 WeakPolarHBondContact O-CB 3.41Å; L1092-F1095 PolarHBondContact O-N 3.48Å; L1092-F1095 VanDerWaalsContact O-N 3.16Å; T1093-F1095 PolarHBondContact O-N 3.03Å; F1095-A1097 VanDerWaalsContact C-N 3.25Å; F1095-A1097 PolarHBondContact O-N 2.72Å; F1095-A1098 PolarHBondContact O-N 3.19Å; F1095-L1099 HydrophobicContact CD1-CD1 4.32Å; F1095-L1099 HydrophobicContact CD1-CG 4.23Å; F1095-L1099 HydrophobicContact CE1-CD1 3.87Å; F1095-L1099 HydrophobicContact CE1-CD2 3.61Å; F1095-L1099 HydrophobicContact CE1-CG 3.76Å; F1095-L1099 HydrophobicContact CE2-CD2 4.5Å; F1095-L1099 HydrophobicContact CZ-CD2 3.57Å; F1095-L1099 HydrophobicContact CZ-CG 4.16Å; F1095-L1099 PolarHBondContact O-N 3.05Å; F1095-L1099 VanDerWaalsContact O-N 3.08Å; F1095-L1108 HydrophobicContact CE1-CD1 3.87Å |
| 1096 | A | 76.7 | Confident | 74.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.4 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1092 T1093 A1098 F1123 T1126 L1127 R1130 | L1092-A1096 PolarHBondContact O-N 3.19Å; T1093-A1096 PolarHBondContact O-N 3.35Å; A1096-A1098 PolarHBondContact O-N 3.36Å; A1096-F1123 HydrophobicContact CB-CD2 3.5Å; A1096-F1123 HydrophobicContact CB-CE2 3.54Å; A1096-T1126 HydrophobicContact CB-CG2 3.82Å; A1096-L1127 HydrophobicContact CB-CD2 3.88Å; A1096-L1127 HydrophobicContact CB-CG 3.97Å; A1096-R1130 WeakPolarHBondContact O-CG 3.27Å |
| 1097 | A | 73.3 | Confident | 75.4 | Confident | 48 Ų | 48 | 38.5 Ų | 38.5 | 40% | 0.397 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.9 | -23.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1093 F1095 T1126 R1130 | T1093-A1097 VanDerWaalsContact O-CB 3.3Å; T1093-A1097 WeakPolarHBondContact O-CB 3.48Å; T1093-A1097 PolarHBondContact O-N 3.1Å; F1095-A1097 VanDerWaalsContact C-N 3.25Å; F1095-A1097 PolarHBondContact O-N 2.72Å; A1097-T1126 HydrophobicContact CB-CG2 3.81Å; A1097-R1130 WeakPolarHBondContact O-CD 3.46Å; A1097-R1130 PolarHBondContact O-NE 3.09Å; A1097-R1130 PolarHBondContact O-NH1 2.99Å |
| 1098 | A | 72.8 | Confident | 76.4 | Confident | 19 Ų | 19 | 30.8 Ų | 30.8 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -117.2 | -5.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1059 I1094 F1095 A1096 D1100 | F1059-A1098 HydrophobicContact CB-CB 3.51Å; F1059-A1098 HydrophobicContact CD1-CB 3.14Å; F1059-A1098 WeakPolarHBondContact CD1-O 3.34Å; F1059-A1098 HydrophobicContact CD2-CB 3.55Å; F1059-A1098 HydrophobicContact CE1-CB 3.66Å; F1059-A1098 WeakPolarHBondContact CE1-O 2.91Å; F1059-A1098 HydrophobicContact CE2-CB 4.09Å; F1059-A1098 HydrophobicContact CG-CB 3.04Å; F1059-A1098 HydrophobicContact CZ-CB 4.05Å; I1094-A1098 WeakPolarHBondContact O-CB 3.18Å; I1094-A1098 PolarHBondContact O-N 3.46Å; F1095-A1098 PolarHBondContact O-N 3.19Å; A1096-A1098 PolarHBondContact O-N 3.36Å; A1098-D1100 PolarHBondContact O-N 3.49Å |
| 1099 | L | 73.3 | Confident | 77.6 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | trans | -47.1 | 134 | 169.9 | -82.5 | 168.2 | 0 | 0 | 0 | 111.3 | F1059 F1095 A1105 L1108 L1127 R1130 L1134 | F1059-L1099 HydrophobicContact CE1-CG 4.43Å; F1095-L1099 HydrophobicContact CD1-CD1 4.32Å; F1095-L1099 HydrophobicContact CD1-CG 4.23Å; F1095-L1099 HydrophobicContact CE1-CD1 3.87Å; F1095-L1099 HydrophobicContact CE1-CD2 3.61Å; F1095-L1099 HydrophobicContact CE1-CG 3.76Å; F1095-L1099 HydrophobicContact CE2-CD2 4.5Å; F1095-L1099 HydrophobicContact CZ-CD2 3.57Å; F1095-L1099 HydrophobicContact CZ-CG 4.16Å; F1095-L1099 PolarHBondContact O-N 3.05Å; F1095-L1099 VanDerWaalsContact O-N 3.08Å; L1099-A1105 HydrophobicContact CD1-CB 3.97Å; L1099-L1108 HydrophobicContact CD1-CD1 3.94Å; L1099-L1127 HydrophobicContact CD1-CD2 3.68Å; L1099-R1130 HydrophobicContact CB-CG 4.33Å; L1099-R1130 PolarHBondContact O-NE 3.08Å; L1099-R1130 PolarHBondContact O-NH2 3.46Å; L1099-L1134 VanDerWaalsContact O-CD1 3.27Å; L1099-L1134 WeakPolarHBondContact O-CD1 3.39Å | ||
| 1100 | D | 74.3 | Confident | 78.4 | Confident | 55 Ų | 55 | 27.3 Ų | 27.3 | 29% | 0.294 | 15% | 0.153 | S | C | . | . | trans | -108.5 | -13.4 | 174.1 | -63.4 | -44.7 | 0 | 0 | 0 | 112.7 | K1063 A1098 R1130 L1134 | K1063-D1100 WeakPolarHBondContact CA-OD2 3.39Å; K1063-D1100 WeakPolarHBondContact CG-OD2 3.49Å; A1098-D1100 PolarHBondContact O-N 3.49Å; D1100-R1130 IonicContact OD1-NH2 3.74Å; D1100-R1130 PolarHBondContact OD1-NH2 3.2Å; D1100-L1134 WeakPolarHBondContact O-CD2 3.33Å | ||
| 1101 | D | 76.7 | Confident | 78.8 | Confident | 61 Ų | 61 | 22.1 Ų | 22.1 | 33% | 0.326 | 13% | 0.13 | S | C | . | . | trans | -94.2 | 120.8 | 177.3 | 177.7 | 32.1 | 0 | 0 | 0 | 112.1 | L1103 S1104 A1105 | D1101-L1103 PolarHBondContact OD1-N 3.08Å; D1101-S1104 WeakPolarHBondContact OD2-CB 3.24Å; D1101-S1104 PolarHBondContact OD2-N 2.91Å; D1101-S1104 PolarHBondContact OD2-OG 3.28Å; D1101-A1105 WeakPolarHBondContact O-CB 3.09Å; D1101-A1105 PolarHBondContact O-N 3.05Å | ||
| 1102 | C | 80.7 | Confident | 79.3 | Confident | 11 Ų | 11 | 20.9 Ų | 20.9 | 7% | 0.074 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 176.1 | -173 | 0 | 0 | 0 | 0 | 111.9 | A1105 M1106 L1134 | C1102-A1105 PolarHBondContact O-N 3.31Å; C1102-M1106 VanDerWaalsContact O-CB 3.24Å; C1102-M1106 WeakPolarHBondContact O-CB 3.11Å; C1102-M1106 WeakPolarHBondContact O-CG 2.94Å; C1102-M1106 PolarHBondContact O-N 3.37Å; C1102-M1106 VanDerWaalsContact SG-SD 3.61Å; C1102-L1134 HydrophobicContact CB-CB 4.04Å |
| 1103 | L | 81.9 | Confident | 79.6 | Confident | 58 Ų | 58 | 20.9 Ų | 20.9 | 30% | 0.304 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -65.5 | -47 | -179.4 | -86.8 | 162.6 | 0 | 0 | 0 | 111.2 | D1101 M1106 E1107 P1138 S1141 L1143 | D1101-L1103 PolarHBondContact OD1-N 3.08Å; L1103-M1106 CarbonylContact O-C 3.43Å; L1103-M1106 WeakPolarHBondContact O-CB 3.19Å; L1103-M1106 PolarHBondContact O-N 3.02Å; L1103-E1107 WeakPolarHBondContact O-CB 3.43Å; L1103-E1107 PolarHBondContact O-N 3.49Å; L1103-P1138 HydrophobicContact CD1-CB 3.69Å; L1103-P1138 HydrophobicContact CD2-CB 3.65Å; L1103-P1138 HydrophobicContact CD2-CG 3.79Å; L1103-P1138 HydrophobicContact CG-CB 3.63Å; L1103-P1138 HydrophobicContact CG-CG 4.14Å; L1103-S1141 WeakPolarHBondContact CD2-OG 3.34Å; L1103-L1143 HydrophobicContact CD2-CD1 4.14Å |
| 1104 | S | 80.7 | Confident | 79.9 | Confident | 13 Ų | 13 | 23.3 Ų | 23.3 | 9% | 0.091 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.9 | -50.4 | 173 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | F1073 D1101 M1106 E1107 L1108 | F1073-S1104 VanDerWaalsContact CE2-CA 3.45Å; F1073-S1104 VanDerWaalsContact CE2-O 3.23Å; F1073-S1104 WeakPolarHBondContact CE2-O 3.34Å; D1101-S1104 WeakPolarHBondContact OD2-CB 3.24Å; D1101-S1104 PolarHBondContact OD2-N 2.91Å; D1101-S1104 PolarHBondContact OD2-OG 3.28Å; S1104-M1106 VanDerWaalsContact C-N 3.27Å; S1104-M1106 PolarHBondContact O-N 2.69Å; S1104-E1107 PolarHBondContact O-N 3.21Å; S1104-L1108 PolarHBondContact O-N 2.76Å |
| 1105 | A | 83.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -37.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1099 D1101 C1102 L1109 L1127 V1131 | L1099-A1105 HydrophobicContact CD1-CB 3.97Å; D1101-A1105 WeakPolarHBondContact O-CB 3.09Å; D1101-A1105 PolarHBondContact O-N 3.05Å; C1102-A1105 PolarHBondContact O-N 3.31Å; A1105-L1109 WeakPolarHBondContact O-CB 3.01Å; A1105-L1109 PolarHBondContact O-N 3.23Å; A1105-L1127 HydrophobicContact CB-CD2 4.29Å; A1105-V1131 HydrophobicContact CB-CG2 3.62Å |
| 1106 | M | 83.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.2 | -41.8 | 174.9 | -74.1 | 172.4 | 70.2 | 0 | 0 | 112.9 | C1102 L1103 S1104 L1109 V1110 V1131 W1135 L1147 M1168 | C1102-M1106 VanDerWaalsContact O-CB 3.24Å; C1102-M1106 WeakPolarHBondContact O-CB 3.11Å; C1102-M1106 WeakPolarHBondContact O-CG 2.94Å; C1102-M1106 PolarHBondContact O-N 3.37Å; C1102-M1106 VanDerWaalsContact SG-SD 3.61Å; L1103-M1106 CarbonylContact O-C 3.43Å; L1103-M1106 WeakPolarHBondContact O-CB 3.19Å; L1103-M1106 PolarHBondContact O-N 3.02Å; S1104-M1106 VanDerWaalsContact C-N 3.27Å; S1104-M1106 PolarHBondContact O-N 2.69Å; M1106-L1109 PolarHBondContact O-N 3.43Å; M1106-V1110 WeakPolarHBondContact O-CB 3.38Å; M1106-V1110 VanDerWaalsContact O-CG2 3.23Å; M1106-V1110 WeakPolarHBondContact O-CG2 2.96Å; M1106-V1110 PolarHBondContact O-N 2.99Å; M1106-V1131 HydrophobicContact CG-CG1 3.79Å; M1106-V1131 HydrophobicContact CG-CG2 4.25Å; M1106-W1135 HydrophobicContact CE-CZ3 3.92Å; M1106-W1135 HydrophobicContact SD-CE3 4.17Å; M1106-W1135 HydrophobicContact SD-CZ3 3.6Å; M1106-L1147 HydrophobicContact CB-CD2 4.03Å; M1106-L1147 HydrophobicContact CE-CB 4.21Å; M1106-L1147 HydrophobicContact CE-CD2 3.63Å; M1106-L1147 HydrophobicContact CG-CD2 3.61Å; M1106-L1147 HydrophobicContact SD-CD2 4.38Å; M1106-M1168 HydrophobicContact CE-CE 4.14Å; M1106-M1168 HydrophobicContact SD-CE 4.35Å |
| 1107 | E | 84.8 | Confident | 78.7 | Confident | 55 Ų | 55 | 35.8 Ų | 35.8 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 176.7 | -179.3 | -178.9 | 169.5 | 0 | 0 | 110.2 | F1073 R1077 L1103 S1104 L1109 V1110 L1111 L1143 | F1073-E1107 HydrophobicContact CE1-CG 4.47Å; F1073-E1107 HydrophobicContact CZ-CB 3.97Å; F1073-E1107 HydrophobicContact CZ-CG 4.02Å; R1077-E1107 IonicContact CZ-OE1 2.61Å; R1077-E1107 IonicContact NH1-OE1 3.46Å; R1077-E1107 PolarHBondContact NH1-OE1 3.32Å; L1103-E1107 WeakPolarHBondContact O-CB 3.43Å; L1103-E1107 PolarHBondContact O-N 3.49Å; S1104-E1107 PolarHBondContact O-N 3.21Å; E1107-L1109 PolarHBondContact O-N 3.41Å; E1107-V1110 PolarHBondContact O-N 3.28Å; E1107-L1111 WeakPolarHBondContact O-CB 3.44Å; E1107-L1111 PolarHBondContact O-N 2.91Å; E1107-L1143 HydrophobicContact CB-CD1 4.36Å |
| 1108 | L | 83.2 | Confident | 78.2 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 173.5 | -72.5 | 167.2 | 0 | 0 | 0 | 112.2 | F1073 V1080 F1095 L1099 S1104 C1112 F1123 L1127 | F1073-L1108 HydrophobicContact CD2-CD1 3.82Å; F1073-L1108 HydrophobicContact CD2-CG 4.19Å; F1073-L1108 HydrophobicContact CE2-CD1 3.39Å; F1073-L1108 HydrophobicContact CE2-CD2 4.02Å; F1073-L1108 HydrophobicContact CE2-CG 3.34Å; F1073-L1108 HydrophobicContact CZ-CD1 4.35Å; F1073-L1108 HydrophobicContact CZ-CD2 4.25Å; F1073-L1108 HydrophobicContact CZ-CG 3.82Å; V1080-L1108 HydrophobicContact CG2-CD2 4.13Å; F1095-L1108 HydrophobicContact CE1-CD1 3.87Å; L1099-L1108 HydrophobicContact CD1-CD1 3.94Å; S1104-L1108 PolarHBondContact O-N 2.76Å; L1108-C1112 WeakPolarHBondContact O-CB 3.18Å; L1108-C1112 PolarHBondContact O-N 3.48Å; L1108-F1123 HydrophobicContact CD1-CZ 4.45Å; L1108-L1127 HydrophobicContact CB-CD1 4.09Å; L1108-L1127 HydrophobicContact CB-CD2 4.44Å |
| 1109 | L | 85.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.2 | -43.8 | 176.8 | -176.1 | 63.1 | 0 | 0 | 0 | 111.5 | A1105 M1106 E1107 C1112 I1113 E1124 L1127 V1128 V1131 L1147 L1164 | A1105-L1109 WeakPolarHBondContact O-CB 3.01Å; A1105-L1109 PolarHBondContact O-N 3.23Å; M1106-L1109 PolarHBondContact O-N 3.43Å; E1107-L1109 PolarHBondContact O-N 3.41Å; L1109-C1112 PolarHBondContact O-N 2.87Å; L1109-I1113 HydrophobicContact CD1-CD1 3.93Å; L1109-I1113 HydrophobicContact CD1-CG1 4.29Å; L1109-I1113 HydrophobicContact CG-CD1 3.81Å; L1109-I1113 WeakPolarHBondContact O-CB 3.42Å; L1109-I1113 WeakPolarHBondContact O-CG1 3.37Å; L1109-I1113 PolarHBondContact O-N 3.35Å; L1109-E1124 HydrophobicContact CD1-CG 3.89Å; L1109-L1127 HydrophobicContact CB-CD1 4.32Å; L1109-L1127 HydrophobicContact CD1-CB 4.12Å; L1109-L1127 HydrophobicContact CD1-CD1 4.46Å; L1109-V1128 HydrophobicContact CD1-CG2 4.05Å; L1109-V1128 HydrophobicContact CD2-CG2 4.12Å; L1109-V1131 HydrophobicContact CD2-CG2 4.35Å; L1109-L1147 HydrophobicContact CD2-CD1 3.86Å; L1109-L1147 HydrophobicContact CD2-CD2 4.23Å; L1109-L1147 HydrophobicContact CG-CD1 4.07Å; L1109-L1164 HydrophobicContact CD2-CD2 4.36Å |
| 1110 | V | 86 | Confident | 77.6 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.4 | -50.1 | 173.2 | 168 | 0 | 0 | 0 | 0 | 109.4 | M1106 E1107 C1112 I1113 E1114 K1146 L1147 L1150 | M1106-V1110 WeakPolarHBondContact O-CB 3.38Å; M1106-V1110 VanDerWaalsContact O-CG2 3.23Å; M1106-V1110 WeakPolarHBondContact O-CG2 2.96Å; M1106-V1110 PolarHBondContact O-N 2.99Å; E1107-V1110 PolarHBondContact O-N 3.28Å; V1110-C1112 VanDerWaalsContact C-N 3.3Å; V1110-C1112 PolarHBondContact O-N 2.93Å; V1110-I1113 PolarHBondContact O-N 3Å; V1110-E1114 HydrophobicContact CG1-CG 4.1Å; V1110-E1114 VanDerWaalsContact O-CB 3.31Å; V1110-E1114 WeakPolarHBondContact O-CB 3.23Å; V1110-E1114 VanDerWaalsContact O-CG 3.27Å; V1110-E1114 WeakPolarHBondContact O-CG 3.16Å; V1110-E1114 PolarHBondContact O-N 3.31Å; V1110-K1146 HydrophobicContact CG1-CD 4.1Å; V1110-L1147 HydrophobicContact CG2-CB 3.86Å; V1110-L1147 HydrophobicContact CG2-CD1 3.87Å; V1110-L1147 HydrophobicContact CG2-CG 4.36Å; V1110-L1150 HydrophobicContact CG1-CD1 4.05Å; V1110-L1150 HydrophobicContact CG2-CD1 4.49Å |
| 1111 | L | 83.3 | Confident | 77.8 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -37.5 | -179.9 | -166.2 | 130.1 | 0 | 0 | 0 | 111.6 | V1080 E1107 K1115 | V1080-L1111 HydrophobicContact CB-CD2 4.01Å; V1080-L1111 HydrophobicContact CG1-CD2 3.29Å; E1107-L1111 WeakPolarHBondContact O-CB 3.44Å; E1107-L1111 PolarHBondContact O-N 2.91Å; L1111-K1115 HydrophobicContact CG-CG 4.38Å; L1111-K1115 VanDerWaalsContact O-CB 3.27Å; L1111-K1115 WeakPolarHBondContact O-CB 3.2Å; L1111-K1115 VanDerWaalsContact O-CG 3.26Å; L1111-K1115 WeakPolarHBondContact O-CG 3.37Å; L1111-K1115 PolarHBondContact O-N 3.38Å |
| 1112 | C | 82.3 | Confident | 77.8 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 173.2 | -164.7 | 0 | 0 | 0 | 0 | 111.7 | L1108 L1109 V1110 R1116 | L1108-C1112 WeakPolarHBondContact O-CB 3.18Å; L1108-C1112 PolarHBondContact O-N 3.48Å; L1109-C1112 PolarHBondContact O-N 2.87Å; V1110-C1112 VanDerWaalsContact C-N 3.3Å; V1110-C1112 PolarHBondContact O-N 2.93Å; C1112-R1116 VanDerWaalsContact O-CB 3.27Å; C1112-R1116 WeakPolarHBondContact O-CB 3.37Å; C1112-R1116 PolarHBondContact O-N 2.77Å |
| 1113 | I | 81.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.9 | -30.6 | 179.8 | -66.4 | 167.9 | 0 | 0 | 0 | 112.6 | L1109 V1110 L1147 L1150 R1154 | L1109-I1113 HydrophobicContact CD1-CD1 3.93Å; L1109-I1113 HydrophobicContact CD1-CG1 4.29Å; L1109-I1113 HydrophobicContact CG-CD1 3.81Å; L1109-I1113 WeakPolarHBondContact O-CB 3.42Å; L1109-I1113 WeakPolarHBondContact O-CG1 3.37Å; L1109-I1113 PolarHBondContact O-N 3.35Å; V1110-I1113 PolarHBondContact O-N 3Å; I1113-L1147 HydrophobicContact CD1-CD1 4.2Å; I1113-L1150 HydrophobicContact CG2-CB 4.27Å; I1113-R1154 PolarHBondContact O-NH1 3.45Å; I1113-R1154 VanDerWaalsContact O-NH1 3.1Å |
| 1114 | E | 82.4 | Confident | 77.8 | Confident | 84 Ų | 84 | 47 Ų | 47 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -75.9 | -43.5 | 178.2 | -76.8 | -167.3 | 129.4 | 0 | 0 | 112.1 | V1110 K1146 L1150 | V1110-E1114 HydrophobicContact CG1-CG 4.1Å; V1110-E1114 VanDerWaalsContact O-CB 3.31Å; V1110-E1114 WeakPolarHBondContact O-CB 3.23Å; V1110-E1114 VanDerWaalsContact O-CG 3.27Å; V1110-E1114 WeakPolarHBondContact O-CG 3.16Å; V1110-E1114 PolarHBondContact O-N 3.31Å; E1114-K1146 WeakPolarHBondContact OE1-CE 3.29Å; E1114-K1146 IonicContact OE1-NZ 2.98Å; E1114-K1146 PolarHBondContact OE1-NZ 3.18Å; E1114-K1146 IonicContact OE2-NZ 3.48Å; E1114-K1146 PolarHBondContact OE2-NZ 3.12Å; E1114-L1150 HydrophobicContact CG-CD1 3.95Å |
| 1115 | K | 74.5 | Confident | 77.8 | Confident | 163 Ų | 163 | 48.2 Ų | 48.2 | 71% | 0.709 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -87.2 | -27.4 | -173.5 | -63.9 | -68 | -175 | 175.9 | 0 | 113.5 | L1111 | L1111-K1115 HydrophobicContact CG-CG 4.38Å; L1111-K1115 VanDerWaalsContact O-CB 3.27Å; L1111-K1115 WeakPolarHBondContact O-CB 3.2Å; L1111-K1115 VanDerWaalsContact O-CG 3.26Å; L1111-K1115 WeakPolarHBondContact O-CG 3.37Å; L1111-K1115 PolarHBondContact O-N 3.38Å |
| 1116 | R | 65.3 | Low | 77.8 | Confident | 96 Ų | 96 | 49.8 Ų | 49.8 | 36% | 0.362 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -98.4 | 136.9 | 171.2 | -63.7 | -87 | -174.1 | -166.7 | -1.3 | 108.7 | C1112 | C1112-R1116 VanDerWaalsContact O-CB 3.27Å; C1112-R1116 WeakPolarHBondContact O-CB 3.37Å; C1112-R1116 PolarHBondContact O-N 2.77Å |
| 1117 | G | 64 | Low | 77.9 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | trans | -67.5 | -109.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1118 | E | 61 | Low | 77.9 | Confident | 182 Ų | 182 | 47.2 Ų | 47.2 | 85% | 0.85 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -92.1 | -7.3 | -175.7 | -66 | -177.6 | 168.2 | 0 | 0 | 114.3 | K1120 | E1118-K1120 PolarHBondContact O-N 3.28Š|
| 1119 | T | 66.1 | Low | 77.8 | Confident | 89 Ų | 89 | 51 Ų | 51 | 55% | 0.546 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 120.4 | -171.8 | 47.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1120 | K | 69.2 | Low | 77.7 | Confident | 105 Ų | 105 | 53 Ų | 53 | 46% | 0.457 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 126.9 | 176.7 | -163.8 | -171.6 | -164 | -159.2 | 0 | 111.4 | E1118 E1124 C1125 | E1118-K1120 PolarHBondContact O-N 3.28Å; K1120-E1124 WeakPolarHBondContact CA-OE2 3.37Å; K1120-E1124 HydrophobicContact CG-CB 4.46Å; K1120-E1124 HydrophobicContact CG-CG 4.34Å; K1120-C1125 VanDerWaalsContact CD-SG 3.53Å; K1120-C1125 WeakPolarHBondContact CE-SG 3.3Å; K1120-C1125 PolarHBondContact NZ-SG 3.31Å |
| 1121 | T | 77.5 | Confident | 77.7 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -98.4 | 161.9 | 174.9 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | F1123 E1124 C1125 | T1121-F1123 VanDerWaalsContact C-N 3.25Å; T1121-F1123 PolarHBondContact O-N 3.29Å; T1121-E1124 PolarHBondContact O-N 3.27Å; T1121-E1124 WeakPolarHBondContact OG1-CB 3.32Å; T1121-E1124 PolarHBondContact OG1-N 2.95Å; T1121-C1125 PolarHBondContact O-N 2.62Å; T1121-C1125 PolarHBondContact O-SG 3.5Å |
| 1122 | T | 77.2 | Confident | 77.6 | Confident | 82 Ų | 82 | 53.1 Ų | 53.1 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 168.3 | 33.8 | 0 | 0 | 0 | 0 | 111.4 | D1089 C1125 T1126 | D1089-T1122 PolarHBondContact OD2-OG1 3.1Å; D1089-T1122 VanDerWaalsContact OD2-OG1 3.05Å; T1122-C1125 PolarHBondContact O-N 2.88Å; T1122-T1126 WeakPolarHBondContact O-CB 3.49Å; T1122-T1126 PolarHBondContact O-N 3.36Å; T1122-T1126 PolarHBondContact O-OG1 3.17Å |
| 1123 | F | 79.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.6 | -48 | 170.5 | -178.4 | -111.1 | 0 | 0 | 0 | 112.2 | V1080 L1092 A1096 L1108 T1121 T1126 L1127 | V1080-F1123 HydrophobicContact CG2-CE1 4.37Å; L1092-F1123 HydrophobicContact CB-CD2 4.03Å; L1092-F1123 HydrophobicContact CB-CE2 4.15Å; L1092-F1123 VanDerWaalsContact O-CD2 3.23Å; L1092-F1123 WeakPolarHBondContact O-CD2 3.45Å; L1092-F1123 VanDerWaalsContact O-CE2 3.3Å; L1092-F1123 WeakPolarHBondContact O-CE2 3.31Å; A1096-F1123 HydrophobicContact CB-CD2 3.5Å; A1096-F1123 HydrophobicContact CB-CE2 3.54Å; L1108-F1123 HydrophobicContact CD1-CZ 4.45Å; T1121-F1123 VanDerWaalsContact C-N 3.25Å; T1121-F1123 PolarHBondContact O-N 3.29Å; F1123-T1126 PolarHBondContact O-N 3.3Å; F1123-L1127 HydrophobicContact CD1-CD1 3.83Å; F1123-L1127 HydrophobicContact CE1-CD1 3.45Å; F1123-L1127 VanDerWaalsContact CE1-CD1 3.45Å; F1123-L1127 HydrophobicContact CE1-CG 4.29Å; F1123-L1127 HydrophobicContact CE2-CD1 4.39Å; F1123-L1127 HydrophobicContact CE2-CG 4.41Å; F1123-L1127 HydrophobicContact CG-CD1 4.45Å; F1123-L1127 HydrophobicContact CZ-CD1 3.76Å; F1123-L1127 HydrophobicContact CZ-CD2 4.37Å; F1123-L1127 HydrophobicContact CZ-CG 4.23Å; F1123-L1127 WeakPolarHBondContact O-CB 3.23Å; F1123-L1127 WeakPolarHBondContact O-CG 3.27Å; F1123-L1127 PolarHBondContact O-N 2.88Å |
| 1124 | E | 83.1 | Confident | 77.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 177.2 | -179.3 | -176.4 | 157 | 0 | 0 | 112.7 | L1109 K1120 T1121 T1126 L1127 V1128 R1155 H1161 | L1109-E1124 HydrophobicContact CD1-CG 3.89Å; K1120-E1124 WeakPolarHBondContact CA-OE2 3.37Å; K1120-E1124 HydrophobicContact CG-CB 4.46Å; K1120-E1124 HydrophobicContact CG-CG 4.34Å; T1121-E1124 PolarHBondContact O-N 3.27Å; T1121-E1124 WeakPolarHBondContact OG1-CB 3.32Å; T1121-E1124 PolarHBondContact OG1-N 2.95Å; E1124-T1126 VanDerWaalsContact C-N 3.3Å; E1124-T1126 PolarHBondContact O-N 2.98Å; E1124-L1127 WeakPolarHBondContact O-CB 3.26Å; E1124-L1127 PolarHBondContact O-N 2.99Å; E1124-V1128 WeakPolarHBondContact O-CG2 3.13Å; E1124-V1128 PolarHBondContact O-N 3.11Å; E1124-R1155 IonicContact OE1-CZ 3.91Å; E1124-R1155 IonicContact OE1-NE 2.68Å; E1124-R1155 PolarHBondContact OE1-NE 2.79Å; E1124-R1155 IonicContact OE1-NH2 3.36Å; E1124-R1155 PolarHBondContact OE1-NH2 2.96Å; E1124-R1155 IonicContact OE2-NH2 3.89Å; E1124-H1161 IonicContact OE1-NE2 2.69Å |
| 1125 | C | 81.2 | Confident | 77.5 | Confident | 39 Ų | 39 | 57 Ų | 57 | 26% | 0.264 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.1 | -47.3 | 175.8 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | K1120 T1121 T1122 L1127 V1128 D1129 | K1120-C1125 VanDerWaalsContact CD-SG 3.53Å; K1120-C1125 WeakPolarHBondContact CE-SG 3.3Å; K1120-C1125 PolarHBondContact NZ-SG 3.31Å; T1121-C1125 PolarHBondContact O-N 2.62Å; T1121-C1125 PolarHBondContact O-SG 3.5Å; T1122-C1125 PolarHBondContact O-N 2.88Å; C1125-L1127 VanDerWaalsContact C-N 3.31Å; C1125-L1127 PolarHBondContact O-N 3.3Å; C1125-V1128 PolarHBondContact O-N 2.87Å; C1125-D1129 PolarHBondContact O-N 3.45Å |
| 1126 | T | 81.9 | Confident | 77.5 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 20% | 0.202 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | -178.9 | -51.6 | 0 | 0 | 0 | 0 | 110.3 | A1096 A1097 T1122 F1123 E1124 R1130 | A1096-T1126 HydrophobicContact CB-CG2 3.82Å; A1097-T1126 HydrophobicContact CB-CG2 3.81Å; T1122-T1126 WeakPolarHBondContact O-CB 3.49Å; T1122-T1126 PolarHBondContact O-N 3.36Å; T1122-T1126 PolarHBondContact O-OG1 3.17Å; F1123-T1126 PolarHBondContact O-N 3.3Å; E1124-T1126 VanDerWaalsContact C-N 3.3Å; E1124-T1126 PolarHBondContact O-N 2.98Å; T1126-R1130 WeakPolarHBondContact O-CB 3.22Å; T1126-R1130 PolarHBondContact O-N 3.06Å |
| 1127 | L | 85.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 172 | -75.6 | 175.5 | 0 | 0 | 0 | 111.8 | A1096 L1099 A1105 L1108 L1109 F1123 E1124 C1125 R1130 V1131 | A1096-L1127 HydrophobicContact CB-CD2 3.88Å; A1096-L1127 HydrophobicContact CB-CG 3.97Å; L1099-L1127 HydrophobicContact CD1-CD2 3.68Å; A1105-L1127 HydrophobicContact CB-CD2 4.29Å; L1108-L1127 HydrophobicContact CB-CD1 4.09Å; L1108-L1127 HydrophobicContact CB-CD2 4.44Å; L1109-L1127 HydrophobicContact CB-CD1 4.32Å; L1109-L1127 HydrophobicContact CD1-CB 4.12Å; L1109-L1127 HydrophobicContact CD1-CD1 4.46Å; F1123-L1127 HydrophobicContact CD1-CD1 3.83Å; F1123-L1127 HydrophobicContact CE1-CD1 3.45Å; F1123-L1127 VanDerWaalsContact CE1-CD1 3.45Å; F1123-L1127 HydrophobicContact CE1-CG 4.29Å; F1123-L1127 HydrophobicContact CE2-CD1 4.39Å; F1123-L1127 HydrophobicContact CE2-CG 4.41Å; F1123-L1127 HydrophobicContact CG-CD1 4.45Å; F1123-L1127 HydrophobicContact CZ-CD1 3.76Å; F1123-L1127 HydrophobicContact CZ-CD2 4.37Å; F1123-L1127 HydrophobicContact CZ-CG 4.23Å; F1123-L1127 WeakPolarHBondContact O-CB 3.23Å; F1123-L1127 WeakPolarHBondContact O-CG 3.27Å; F1123-L1127 PolarHBondContact O-N 2.88Å; E1124-L1127 WeakPolarHBondContact O-CB 3.26Å; E1124-L1127 PolarHBondContact O-N 2.99Å; C1125-L1127 VanDerWaalsContact C-N 3.31Å; C1125-L1127 PolarHBondContact O-N 3.3Å; L1127-R1130 CarbonylContact O-C 3.46Å; L1127-R1130 PolarHBondContact O-N 3.02Å; L1127-V1131 WeakPolarHBondContact O-CG2 3.33Å; L1127-V1131 PolarHBondContact O-N 3.11Å |
| 1128 | V | 86 | Confident | 78 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 178.2 | 172 | 0 | 0 | 0 | 0 | 111.5 | L1109 E1124 C1125 R1130 V1131 K1132 H1161 L1164 | L1109-V1128 HydrophobicContact CD1-CG2 4.05Å; L1109-V1128 HydrophobicContact CD2-CG2 4.12Å; E1124-V1128 WeakPolarHBondContact O-CG2 3.13Å; E1124-V1128 PolarHBondContact O-N 3.11Å; C1125-V1128 PolarHBondContact O-N 2.87Å; V1128-R1130 PolarHBondContact O-N 3.36Å; V1128-V1131 PolarHBondContact O-N 3.25Å; V1128-K1132 WeakPolarHBondContact O-CG 3.21Å; V1128-K1132 PolarHBondContact O-N 3.32Å; V1128-H1161 WeakPolarHBondContact CG2-NE2 3.34Å; V1128-L1164 HydrophobicContact CG1-CD2 4.46Å |
| 1129 | D | 81.9 | Confident | 78.2 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63 | -36 | 177.1 | -69.9 | -26.9 | 0 | 0 | 0 | 111 | C1125 K1132 I1133 | C1125-D1129 PolarHBondContact O-N 3.45Å; D1129-K1132 WeakPolarHBondContact O-CB 3.45Å; D1129-K1132 PolarHBondContact O-N 3.14Å; D1129-I1133 WeakPolarHBondContact O-CD1 3.21Å; D1129-I1133 VanDerWaalsContact O-CG1 3.26Å; D1129-I1133 WeakPolarHBondContact O-CG1 3.48Å; D1129-I1133 PolarHBondContact O-N 3.46Å |
| 1130 | R | 83.1 | Confident | 78.3 | Confident | 43 Ų | 43 | 55 Ų | 55 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70 | -46 | 176.5 | -160.9 | 70.4 | -176.8 | 169.1 | 3.3 | 112.6 | A1096 A1097 L1099 D1100 T1126 L1127 V1128 K1132 I1133 L1134 | A1096-R1130 WeakPolarHBondContact O-CG 3.27Å; A1097-R1130 WeakPolarHBondContact O-CD 3.46Å; A1097-R1130 PolarHBondContact O-NE 3.09Å; A1097-R1130 PolarHBondContact O-NH1 2.99Å; L1099-R1130 HydrophobicContact CB-CG 4.33Å; L1099-R1130 PolarHBondContact O-NE 3.08Å; L1099-R1130 PolarHBondContact O-NH2 3.46Å; D1100-R1130 IonicContact OD1-NH2 3.74Å; D1100-R1130 PolarHBondContact OD1-NH2 3.2Å; T1126-R1130 WeakPolarHBondContact O-CB 3.22Å; T1126-R1130 PolarHBondContact O-N 3.06Å; L1127-R1130 CarbonylContact O-C 3.46Å; L1127-R1130 PolarHBondContact O-N 3.02Å; V1128-R1130 PolarHBondContact O-N 3.36Å; R1130-K1132 VanDerWaalsContact C-N 3.25Å; R1130-K1132 PolarHBondContact O-N 3.45Å; R1130-I1133 PolarHBondContact O-N 3.43Å; R1130-L1134 HydrophobicContact CG-CD1 3.79Å; R1130-L1134 HydrophobicContact CG-CG 4.13Å; R1130-L1134 WeakPolarHBondContact O-CB 3.49Å; R1130-L1134 VanDerWaalsContact O-CG 3.25Å; R1130-L1134 WeakPolarHBondContact O-CG 3.26Å; R1130-L1134 PolarHBondContact O-N 2.8Å |
| 1131 | V | 84.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.5 | -39 | 176 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | A1105 M1106 L1109 L1127 V1128 I1133 L1134 W1135 L1164 M1168 | A1105-V1131 HydrophobicContact CB-CG2 3.62Å; M1106-V1131 HydrophobicContact CG-CG1 3.79Å; M1106-V1131 HydrophobicContact CG-CG2 4.25Å; L1109-V1131 HydrophobicContact CD2-CG2 4.35Å; L1127-V1131 WeakPolarHBondContact O-CG2 3.33Å; L1127-V1131 PolarHBondContact O-N 3.11Å; V1128-V1131 PolarHBondContact O-N 3.25Å; V1131-I1133 PolarHBondContact O-N 2.91Å; V1131-L1134 PolarHBondContact O-N 3.37Å; V1131-W1135 HydrophobicContact CG1-CE3 4.33Å; V1131-W1135 WeakPolarHBondContact O-CA 3.45Å; V1131-W1135 WeakPolarHBondContact O-CB 3.37Å; V1131-W1135 PolarHBondContact O-N 3.31Å; V1131-L1164 HydrophobicContact CB-CD1 3.96Å; V1131-L1164 HydrophobicContact CB-CD2 4.03Å; V1131-L1164 HydrophobicContact CG1-CD1 3.55Å; V1131-L1164 HydrophobicContact CG1-CD2 3.93Å; V1131-L1164 HydrophobicContact CG1-CG 4.32Å; V1131-M1168 HydrophobicContact CG1-CE 3.9Å |
| 1132 | K | 82 | Confident | 78.4 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 171.7 | -75.2 | 179.7 | 177.2 | -174.1 | 0 | 111.8 | V1128 D1129 R1130 L1134 S1160 L1164 Q1167 | V1128-K1132 WeakPolarHBondContact O-CG 3.21Å; V1128-K1132 PolarHBondContact O-N 3.32Å; D1129-K1132 WeakPolarHBondContact O-CB 3.45Å; D1129-K1132 PolarHBondContact O-N 3.14Å; R1130-K1132 VanDerWaalsContact C-N 3.25Å; R1130-K1132 PolarHBondContact O-N 3.45Å; K1132-L1134 VanDerWaalsContact C-N 3.33Å; K1132-L1134 PolarHBondContact O-N 3.25Å; K1132-S1160 WeakPolarHBondContact CE-O 3.23Å; K1132-S1160 VanDerWaalsContact NZ-CA 3.35Å; K1132-S1160 PolarHBondContact NZ-O 2.9Å; K1132-L1164 HydrophobicContact CB-CD1 4.38Å; K1132-L1164 HydrophobicContact CG-CB 3.85Å; K1132-L1164 HydrophobicContact CG-CD1 3.79Å; K1132-L1164 HydrophobicContact CG-CG 4.39Å; K1132-Q1167 VanDerWaalsContact CA-OE1 3.31Å; K1132-Q1167 PolarHBondContact O-NE2 2.88Å; K1132-Q1167 PolarHBondContact O-OE1 3.16Å |
| 1133 | I | 81.3 | Confident | 78.6 | Confident | 121 Ų | 121 | 52.2 Ų | 52.2 | 62% | 0.621 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.6 | -41.8 | 179.2 | -68.5 | 163.2 | 0 | 0 | 0 | 111.3 | D1129 R1130 V1131 | D1129-I1133 WeakPolarHBondContact O-CD1 3.21Å; D1129-I1133 VanDerWaalsContact O-CG1 3.26Å; D1129-I1133 WeakPolarHBondContact O-CG1 3.48Å; D1129-I1133 PolarHBondContact O-N 3.46Å; R1130-I1133 PolarHBondContact O-N 3.43Å; V1131-I1133 PolarHBondContact O-N 2.91Å |
| 1134 | L | 81.7 | Confident | 78.6 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -87.6 | -10.2 | -172.6 | -61.5 | 176.8 | 0 | 0 | 0 | 115 | L1099 D1100 C1102 R1130 V1131 K1132 R1136 | L1099-L1134 VanDerWaalsContact O-CD1 3.27Å; L1099-L1134 WeakPolarHBondContact O-CD1 3.39Å; D1100-L1134 WeakPolarHBondContact O-CD2 3.33Å; C1102-L1134 HydrophobicContact CB-CB 4.04Å; R1130-L1134 HydrophobicContact CG-CD1 3.79Å; R1130-L1134 HydrophobicContact CG-CG 4.13Å; R1130-L1134 WeakPolarHBondContact O-CB 3.49Å; R1130-L1134 VanDerWaalsContact O-CG 3.25Å; R1130-L1134 WeakPolarHBondContact O-CG 3.26Å; R1130-L1134 PolarHBondContact O-N 2.8Å; V1131-L1134 PolarHBondContact O-N 3.37Å; K1132-L1134 VanDerWaalsContact C-N 3.33Å; K1132-L1134 PolarHBondContact O-N 3.25Å; L1134-R1136 PolarHBondContact O-N 3.41Å |
| 1135 | W | 81.1 | Confident | 78.4 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 7% | 0.072 | 31% | 0.314 | C | S | . | . | trans | -55.3 | 116.2 | -164.1 | 173.8 | -95.3 | 0 | 0 | 0 | 112.8 | M1106 V1131 P1137 Q1167 M1168 S1171 L1172 | M1106-W1135 HydrophobicContact CE-CZ3 3.92Å; M1106-W1135 HydrophobicContact SD-CE3 4.17Å; M1106-W1135 HydrophobicContact SD-CZ3 3.6Å; V1131-W1135 HydrophobicContact CG1-CE3 4.33Å; V1131-W1135 WeakPolarHBondContact O-CA 3.45Å; V1131-W1135 WeakPolarHBondContact O-CB 3.37Å; V1131-W1135 PolarHBondContact O-N 3.31Å; W1135-P1137 HydrophobicContact CZ2-CB 4.45Å; W1135-Q1167 HydrophobicContact CB-CG 4.22Å; W1135-Q1167 VanDerWaalsContact CD1-O 3.27Å; W1135-Q1167 HydrophobicContact CG-CG 4.19Å; W1135-Q1167 PolarHBondContact NE1-O 3.31Å; W1135-Q1167 VanDerWaalsContact NE1-O 3.14Å; W1135-M1168 HydrophobicContact CD2-CB 4.23Å; W1135-M1168 HydrophobicContact CD2-CE 4.45Å; W1135-M1168 HydrophobicContact CD2-CG 3.66Å; W1135-M1168 HydrophobicContact CE3-CB 4.42Å; W1135-M1168 HydrophobicContact CE3-CE 3.46Å; W1135-M1168 VanDerWaalsContact CE3-CE 3.46Å; W1135-M1168 HydrophobicContact CE3-CG 3.51Å; W1135-M1168 HydrophobicContact CE3-SD 3.97Å; W1135-M1168 HydrophobicContact CH2-CB 3.6Å; W1135-M1168 HydrophobicContact CH2-CE 4.13Å; W1135-M1168 HydrophobicContact CH2-CG 3.4Å; W1135-M1168 HydrophobicContact CH2-SD 3.6Å; W1135-M1168 VanDerWaalsContact CH2-SD 3.6Å; W1135-M1168 HydrophobicContact CZ2-CB 3.43Å; W1135-M1168 VanDerWaalsContact CZ2-CB 3.43Å; W1135-M1168 HydrophobicContact CZ2-CG 3.61Å; W1135-M1168 WeakPolarHBondContact CZ2-O 3.3Å; W1135-M1168 HydrophobicContact CZ2-SD 4.4Å; W1135-M1168 HydrophobicContact CZ3-CB 4.12Å; W1135-M1168 HydrophobicContact CZ3-CE 3.25Å; W1135-M1168 HydrophobicContact CZ3-CG 3.37Å; W1135-M1168 HydrophobicContact CZ3-SD 3.37Å; W1135-M1168 WeakPolarHBondContact CZ3-SD 3.1Å; W1135-S1171 WeakPolarHBondContact CZ2-OG 3.25Å; W1135-S1171 PolarHBondContact NE1-OG 2.73Å; W1135-L1172 HydrophobicContact CZ2-CD1 4.21Å; W1135-L1172 HydrophobicContact CZ2-CG 4.48Å | ||
| 1136 | R | 74.6 | Confident | 78.5 | Confident | 203 Ų | 203 | 60.1 Ų | 60.1 | 77% | 0.766 | 32% | 0.317 | S | S | * | . | trans | -135.2 | 140.6 | 164.6 | -68.3 | -174.9 | -178.8 | -177.7 | 1.7 | 107.6 | L1134 P1138 | L1134-R1136 PolarHBondContact O-N 3.41Å; R1136-P1138 WeakPolarHBondContact O-CD 3.32Å; R1136-P1138 VanDerWaalsContact O-N 3.16Å | ||
| 1137 | P | 68.8 | Low | 78.7 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 31% | 0.312 | 31% | 0.308 | S | S | . | . | trans | -65.9 | 114 | -177.6 | 23.6 | -28.2 | 0 | 0 | 0 | 109.7 | W1135 I1139 S1171 L1172 | W1135-P1137 HydrophobicContact CZ2-CB 4.45Å; P1137-I1139 PolarHBondContact O-N 3.41Å; P1137-S1171 WeakPolarHBondContact CB-OG 3.46Å; P1137-S1171 WeakPolarHBondContact CD-OG 3.44Å; P1137-S1171 WeakPolarHBondContact CG-OG 3.03Å; P1137-L1172 HydrophobicContact CB-CD2 3.27Å; P1137-L1172 HydrophobicContact CB-CG 3.73Å; P1137-L1172 HydrophobicContact CG-CD2 4.47Å | ||
| 1138 | P | 69.8 | Low | 78.7 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 12% | 0.117 | 31% | 0.309 | C | S | . | . | trans | -76.5 | 116.2 | -178.1 | 28.5 | -29.8 | 0 | 0 | 0 | 110.6 | L1103 R1136 G1140 Y1144 | L1103-P1138 HydrophobicContact CD1-CB 3.69Å; L1103-P1138 HydrophobicContact CD2-CB 3.65Å; L1103-P1138 HydrophobicContact CD2-CG 3.79Å; L1103-P1138 HydrophobicContact CG-CB 3.63Å; L1103-P1138 HydrophobicContact CG-CG 4.14Å; R1136-P1138 WeakPolarHBondContact O-CD 3.32Å; R1136-P1138 VanDerWaalsContact O-N 3.16Å; P1138-G1140 PolarHBondContact O-N 3.4Å; P1138-Y1144 HydrophobicContact CG-CD1 4.01Å | ||
| 1139 | I | 66.7 | Low | 78.7 | Confident | 183 Ų | 183 | 63.4 Ų | 63.4 | 94% | 0.938 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 120.7 | 179.6 | -55.8 | 168.4 | 0 | 0 | 0 | 108.9 | P1137 | P1137-I1139 PolarHBondContact O-N 3.41Š|
| 1140 | G | 68.1 | Low | 78.9 | Confident | 86 Ų | 86 | 60.5 Ų | 60.5 | 89% | 0.887 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | -10.7 | 175 | 0 | 0 | 0 | 0 | 0 | 117.5 | P1138 | P1138-G1140 PolarHBondContact O-N 3.4Š|
| 1141 | S | 73.2 | Confident | 79 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | trans | -90 | 137.7 | -178.8 | 176.2 | 0 | 0 | 0 | 0 | 112.7 | L1103 L1143 Y1144 | L1103-S1141 WeakPolarHBondContact CD2-OG 3.34Å; S1141-L1143 WeakPolarHBondContact OG-CB 3.44Å; S1141-L1143 PolarHBondContact OG-N 3.23Å; S1141-Y1144 WeakPolarHBondContact O-CD1 3.49Å; S1141-Y1144 WeakPolarHBondContact O-CE1 3.22Å | ||
| 1142 | S | 76.1 | Confident | 79 | Confident | 85 Ų | 85 | 58.5 Ų | 58.5 | 59% | 0.594 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -90 | -0.6 | 170.9 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | Y1144 R1145 K1146 | S1142-Y1144 VanDerWaalsContact C-N 3.34Å; S1142-Y1144 PolarHBondContact O-N 3.11Å; S1142-R1145 WeakPolarHBondContact O-CB 3.18Å; S1142-R1145 PolarHBondContact O-N 2.97Å; S1142-R1145 VanDerWaalsContact O-N 3.09Å; S1142-K1146 PolarHBondContact O-N 3.38Å |
| 1143 | L | 79.6 | Confident | 79 | Confident | 47 Ų | 47 | 60.5 Ų | 60.5 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64 | -35.4 | -174.8 | -72.3 | 172.7 | 0 | 0 | 0 | 113.1 | L1103 E1107 S1141 R1145 K1146 L1147 | L1103-L1143 HydrophobicContact CD2-CD1 4.14Å; E1107-L1143 HydrophobicContact CB-CD1 4.36Å; S1141-L1143 WeakPolarHBondContact OG-CB 3.44Å; S1141-L1143 PolarHBondContact OG-N 3.23Å; L1143-R1145 VanDerWaalsContact C-N 3.26Å; L1143-R1145 PolarHBondContact O-N 2.66Å; L1143-K1146 PolarHBondContact O-N 2.89Å; L1143-L1147 WeakPolarHBondContact O-CB 3.42Å; L1143-L1147 PolarHBondContact O-N 3.29Å |
| 1144 | Y | 80.1 | Confident | 79.1 | Confident | 19 Ų | 19 | 60.8 Ų | 60.8 | 8% | 0.075 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 176.4 | 67.8 | -95.1 | 0 | 0 | 0 | 111.6 | P1138 S1141 S1142 L1147 W1148 L1172 M1176 | P1138-Y1144 HydrophobicContact CG-CD1 4.01Å; S1141-Y1144 WeakPolarHBondContact O-CD1 3.49Å; S1141-Y1144 WeakPolarHBondContact O-CE1 3.22Å; S1142-Y1144 VanDerWaalsContact C-N 3.34Å; S1142-Y1144 PolarHBondContact O-N 3.11Å; Y1144-L1147 PolarHBondContact O-N 2.97Å; Y1144-W1148 PolarHBondContact O-N 2.87Å; Y1144-L1172 HydrophobicContact CD2-CD1 3.66Å; Y1144-L1172 HydrophobicContact CE2-CD1 3.58Å; Y1144-L1172 HydrophobicContact CG-CD1 4.36Å; Y1144-M1176 HydrophobicContact CD2-CE 3.41Å; Y1144-M1176 VanDerWaalsContact CD2-CE 3.41Å; Y1144-M1176 HydrophobicContact CD2-SD 4.08Å; Y1144-M1176 HydrophobicContact CE2-CE 3.35Å; Y1144-M1176 HydrophobicContact CE2-CG 3.91Å; Y1144-M1176 HydrophobicContact CE2-SD 3.47Å; Y1144-M1176 WeakPolarHBondContact CE2-SD 3.17Å |
| 1145 | R | 78.9 | Confident | 79.2 | Confident | 109 Ų | 109 | 60.8 Ų | 60.8 | 41% | 0.411 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.3 | -50 | 174.3 | -74.3 | -176.9 | -174.7 | 156.4 | 2.8 | 111.6 | S1142 L1143 L1147 W1148 Q1149 M1176 | S1142-R1145 WeakPolarHBondContact O-CB 3.18Å; S1142-R1145 PolarHBondContact O-N 2.97Å; S1142-R1145 VanDerWaalsContact O-N 3.09Å; L1143-R1145 VanDerWaalsContact C-N 3.26Å; L1143-R1145 PolarHBondContact O-N 2.66Å; R1145-L1147 VanDerWaalsContact C-N 3.34Å; R1145-L1147 PolarHBondContact O-N 3.11Å; R1145-W1148 VanDerWaalsContact CA-CD1 3.45Å; R1145-W1148 VanDerWaalsContact CA-NE1 3.33Å; R1145-W1148 PolarHBondContact O-NE1 3.26Å; R1145-Q1149 WeakPolarHBondContact O-CB 3.23Å; R1145-Q1149 VanDerWaalsContact O-CG 3.24Å; R1145-Q1149 WeakPolarHBondContact O-CG 3.34Å; R1145-Q1149 PolarHBondContact O-N 2.9Å; R1145-Q1149 VanDerWaalsContact O-N 3.14Å; R1145-M1176 HydrophobicContact CG-CE 4.42Å; R1145-M1176 HydrophobicContact CG-SD 3.47Å; R1145-M1176 WeakPolarHBondContact CG-SD 3.4Å |
| 1146 | K | 83.8 | Confident | 79.3 | Confident | 78 Ų | 78 | 60.4 Ų | 60.4 | 34% | 0.339 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 177 | -167.8 | 177.2 | -177.5 | -166.6 | 0 | 111.6 | V1110 E1114 S1142 L1143 Q1149 L1150 | V1110-K1146 HydrophobicContact CG1-CD 4.1Å; E1114-K1146 WeakPolarHBondContact OE1-CE 3.29Å; E1114-K1146 IonicContact OE1-NZ 2.98Å; E1114-K1146 PolarHBondContact OE1-NZ 3.18Å; E1114-K1146 IonicContact OE2-NZ 3.48Å; E1114-K1146 PolarHBondContact OE2-NZ 3.12Å; S1142-K1146 PolarHBondContact O-N 3.38Å; L1143-K1146 PolarHBondContact O-N 2.89Å; K1146-Q1149 PolarHBondContact O-N 3.29Å; K1146-L1150 HydrophobicContact CG-CD1 4.11Å; K1146-L1150 WeakPolarHBondContact O-CB 3.33Å; K1146-L1150 VanDerWaalsContact O-CG 3.26Å; K1146-L1150 WeakPolarHBondContact O-CG 3.1Å; K1146-L1150 PolarHBondContact O-N 2.96Å |
| 1147 | L | 87.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.2 | -47.7 | -178.5 | -179.2 | 59.7 | 0 | 0 | 0 | 112.7 | M1106 L1109 V1110 I1113 L1143 Y1144 R1145 Q1149 L1150 I1151 M1168 | M1106-L1147 HydrophobicContact CB-CD2 4.03Å; M1106-L1147 HydrophobicContact CE-CB 4.21Å; M1106-L1147 HydrophobicContact CE-CD2 3.63Å; M1106-L1147 HydrophobicContact CG-CD2 3.61Å; M1106-L1147 HydrophobicContact SD-CD2 4.38Å; L1109-L1147 HydrophobicContact CD2-CD1 3.86Å; L1109-L1147 HydrophobicContact CD2-CD2 4.23Å; L1109-L1147 HydrophobicContact CG-CD1 4.07Å; V1110-L1147 HydrophobicContact CG2-CB 3.86Å; V1110-L1147 HydrophobicContact CG2-CD1 3.87Å; V1110-L1147 HydrophobicContact CG2-CG 4.36Å; I1113-L1147 HydrophobicContact CD1-CD1 4.2Å; L1143-L1147 WeakPolarHBondContact O-CB 3.42Å; L1143-L1147 PolarHBondContact O-N 3.29Å; Y1144-L1147 PolarHBondContact O-N 2.97Å; R1145-L1147 VanDerWaalsContact C-N 3.34Å; R1145-L1147 PolarHBondContact O-N 3.11Å; L1147-Q1149 VanDerWaalsContact C-N 3.33Å; L1147-Q1149 PolarHBondContact O-N 3.19Å; L1147-L1150 PolarHBondContact O-N 3.44Å; L1147-I1151 HydrophobicContact CD1-CD1 3.88Å; L1147-I1151 HydrophobicContact CD1-CG1 4.11Å; L1147-I1151 HydrophobicContact CG-CD1 3.83Å; L1147-I1151 HydrophobicContact CG-CG1 4.44Å; L1147-I1151 WeakPolarHBondContact O-CB 3.39Å; L1147-I1151 VanDerWaalsContact O-CG1 3.27Å; L1147-I1151 WeakPolarHBondContact O-CG1 3.3Å; L1147-I1151 PolarHBondContact O-N 3.3Å; L1147-M1168 HydrophobicContact CD2-CE 3.49Å; L1147-M1168 VanDerWaalsContact CD2-CE 3.49Å; L1147-M1168 HydrophobicContact CD2-SD 4.48Å; L1147-M1168 HydrophobicContact CG-CE 4.37Å |
| 1148 | W | 85.1 | Confident | 80.3 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.6 | -34.2 | 178.8 | 74.5 | -106.6 | 0 | 0 | 0 | 111.8 | Y1144 R1145 I1151 L1152 V1165 M1176 P1179 L1180 M1183 | Y1144-W1148 PolarHBondContact O-N 2.87Å; R1145-W1148 VanDerWaalsContact CA-CD1 3.45Å; R1145-W1148 VanDerWaalsContact CA-NE1 3.33Å; R1145-W1148 PolarHBondContact O-NE1 3.26Å; W1148-I1151 PolarHBondContact O-N 3.29Å; W1148-L1152 HydrophobicContact CE3-CD1 3.62Å; W1148-L1152 HydrophobicContact CE3-CG 4.24Å; W1148-L1152 HydrophobicContact CZ3-CD1 3.86Å; W1148-L1152 WeakPolarHBondContact O-CB 3.36Å; W1148-L1152 WeakPolarHBondContact O-CG 3.37Å; W1148-L1152 PolarHBondContact O-N 2.91Å; W1148-V1165 HydrophobicContact CB-CG1 4.16Å; W1148-V1165 HydrophobicContact CB-CG2 4.08Å; W1148-M1176 HydrophobicContact CG-CE 4.36Å; W1148-M1176 PolarHBondContact NE1-SD 3Å; W1148-M1176 VanDerWaalsContact NE1-SD 3.35Å; W1148-P1179 HydrophobicContact CH2-CB 4.07Å; W1148-P1179 HydrophobicContact CZ2-CB 4.4Å; W1148-L1180 HydrophobicContact CD2-CD1 4.3Å; W1148-L1180 HydrophobicContact CE3-CD1 4.34Å; W1148-L1180 HydrophobicContact CE3-CG 4.39Å; W1148-L1180 HydrophobicContact CZ3-CB 4.43Å; W1148-L1180 HydrophobicContact CZ3-CG 4.46Å; W1148-M1183 HydrophobicContact CE3-SD 4.48Å; W1148-M1183 HydrophobicContact CH2-SD 3.66Å; W1148-M1183 HydrophobicContact CZ3-CB 4.47Å; W1148-M1183 HydrophobicContact CZ3-CE 4.08Å; W1148-M1183 HydrophobicContact CZ3-CG 4.4Å; W1148-M1183 HydrophobicContact CZ3-SD 3.34Å; W1148-M1183 WeakPolarHBondContact CZ3-SD 3.4Å |
| 1149 | Q | 85.4 | Confident | 80.9 | Confident | 94 Ų | 94 | 54.9 Ų | 54.9 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 172.5 | -75 | 174.7 | -16.3 | 0 | 0 | 111.2 | R1145 K1146 L1147 S1153 | R1145-Q1149 WeakPolarHBondContact O-CB 3.23Å; R1145-Q1149 VanDerWaalsContact O-CG 3.24Å; R1145-Q1149 WeakPolarHBondContact O-CG 3.34Å; R1145-Q1149 PolarHBondContact O-N 2.9Å; R1145-Q1149 VanDerWaalsContact O-N 3.14Å; K1146-Q1149 PolarHBondContact O-N 3.29Å; L1147-Q1149 VanDerWaalsContact C-N 3.33Å; L1147-Q1149 PolarHBondContact O-N 3.19Å; Q1149-S1153 WeakPolarHBondContact O-CB 3.43Å; Q1149-S1153 PolarHBondContact O-N 2.61Å; Q1149-S1153 PolarHBondContact O-OG 3.19Å |
| 1150 | L | 85.4 | Confident | 81.7 | Confident | 23 Ų | 23 | 47.3 Ų | 47.3 | 12% | 0.12 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 175.2 | -75.1 | 172.6 | 0 | 0 | 0 | 112.2 | V1110 I1113 E1114 K1146 L1147 S1153 R1154 | V1110-L1150 HydrophobicContact CG1-CD1 4.05Å; V1110-L1150 HydrophobicContact CG2-CD1 4.49Å; I1113-L1150 HydrophobicContact CG2-CB 4.27Å; E1114-L1150 HydrophobicContact CG-CD1 3.95Å; K1146-L1150 HydrophobicContact CG-CD1 4.11Å; K1146-L1150 WeakPolarHBondContact O-CB 3.33Å; K1146-L1150 VanDerWaalsContact O-CG 3.26Å; K1146-L1150 WeakPolarHBondContact O-CG 3.1Å; K1146-L1150 PolarHBondContact O-N 2.96Å; L1147-L1150 PolarHBondContact O-N 3.44Å; L1150-S1153 WeakPolarHBondContact CA-OG 3.3Å; L1150-S1153 PolarHBondContact O-OG 3.31Å; L1150-R1154 WeakPolarHBondContact O-CB 3.41Å; L1150-R1154 PolarHBondContact O-N 2.59Å |
| 1151 | I | 86.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.5 | -50.6 | 176.9 | -73.4 | 170.5 | 0 | 0 | 0 | 110.9 | L1147 W1148 S1153 R1155 F1156 H1161 L1164 V1165 | L1147-I1151 HydrophobicContact CD1-CD1 3.88Å; L1147-I1151 HydrophobicContact CD1-CG1 4.11Å; L1147-I1151 HydrophobicContact CG-CD1 3.83Å; L1147-I1151 HydrophobicContact CG-CG1 4.44Å; L1147-I1151 WeakPolarHBondContact O-CB 3.39Å; L1147-I1151 VanDerWaalsContact O-CG1 3.27Å; L1147-I1151 WeakPolarHBondContact O-CG1 3.3Å; L1147-I1151 PolarHBondContact O-N 3.3Å; W1148-I1151 PolarHBondContact O-N 3.29Å; I1151-S1153 VanDerWaalsContact C-N 3.27Å; I1151-S1153 PolarHBondContact O-N 2.85Å; I1151-R1155 HydrophobicContact CG2-CB 4.43Å; I1151-R1155 CarbonylContact O-C 3.6Å; I1151-R1155 WeakPolarHBondContact O-CA 3.47Å; I1151-R1155 WeakPolarHBondContact O-CB 3.48Å; I1151-R1155 PolarHBondContact O-N 3.26Å; I1151-F1156 PolarHBondContact O-N 2.77Å; I1151-F1156 VanDerWaalsContact O-N 3.14Å; I1151-H1161 HydrophobicContact CD1-CB 4.48Å; I1151-H1161 HydrophobicContact CG1-CB 4.39Å; I1151-H1161 HydrophobicContact CG2-CB 3.6Å; I1151-L1164 HydrophobicContact CD1-CD2 4.14Å; I1151-V1165 HydrophobicContact CB-CG2 4.17Å; I1151-V1165 HydrophobicContact CD1-CG2 4.06Å; I1151-V1165 HydrophobicContact CG2-CG2 3.72Å |
| 1152 | L | 83.1 | Confident | 83.2 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.1 | -29.1 | -179.4 | -67.6 | -173.2 | 0 | 0 | 0 | 111.8 | W1148 F1156 L1180 M1183 V1184 H1187 | W1148-L1152 HydrophobicContact CE3-CD1 3.62Å; W1148-L1152 HydrophobicContact CE3-CG 4.24Å; W1148-L1152 HydrophobicContact CZ3-CD1 3.86Å; W1148-L1152 WeakPolarHBondContact O-CB 3.36Å; W1148-L1152 WeakPolarHBondContact O-CG 3.37Å; W1148-L1152 PolarHBondContact O-N 2.91Å; L1152-F1156 HydrophobicContact CD2-CD2 4.17Å; L1152-F1156 HydrophobicContact CD2-CE2 4.49Å; L1152-L1180 HydrophobicContact CD1-CG 4.4Å; L1152-M1183 HydrophobicContact CB-CE 3.97Å; L1152-M1183 HydrophobicContact CD1-CB 4.34Å; L1152-M1183 HydrophobicContact CD1-CE 4.42Å; L1152-V1184 HydrophobicContact CD1-CG2 4.21Å; L1152-H1187 PolarHBondContact O-NE2 3.06Å |
| 1153 | S | 83.4 | Confident | 83.7 | Confident | 73 Ų | 73 | 41.6 Ų | 41.6 | 51% | 0.51 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -81.3 | -41.5 | 176 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | Q1149 L1150 I1151 | Q1149-S1153 WeakPolarHBondContact O-CB 3.43Å; Q1149-S1153 PolarHBondContact O-N 2.61Å; Q1149-S1153 PolarHBondContact O-OG 3.19Å; L1150-S1153 WeakPolarHBondContact CA-OG 3.3Å; L1150-S1153 PolarHBondContact O-OG 3.31Å; I1151-S1153 VanDerWaalsContact C-N 3.27Å; I1151-S1153 PolarHBondContact O-N 2.85Å |
| 1154 | R | 83.2 | Confident | 84 | Confident | 128 Ų | 128 | 39.4 Ų | 39.4 | 48% | 0.483 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -112.8 | -10.5 | -171.5 | -62.5 | -172.7 | 174.2 | -171.4 | -2.5 | 115.4 | I1113 L1150 | I1113-R1154 PolarHBondContact O-NH1 3.45Å; I1113-R1154 VanDerWaalsContact O-NH1 3.1Å; L1150-R1154 WeakPolarHBondContact O-CB 3.41Å; L1150-R1154 PolarHBondContact O-N 2.59Å |
| 1155 | R | 83.8 | Confident | 84.3 | Confident | 30 Ų | 30 | 38.5 Ų | 38.5 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | trans | -137.9 | 24.6 | -174.4 | -62.4 | -69.2 | -175.1 | -91.9 | 1.5 | 113.6 | E1124 I1151 S1157 S1158 H1161 | E1124-R1155 IonicContact OE1-CZ 3.91Å; E1124-R1155 IonicContact OE1-NE 2.68Å; E1124-R1155 PolarHBondContact OE1-NE 2.79Å; E1124-R1155 IonicContact OE1-NH2 3.36Å; E1124-R1155 PolarHBondContact OE1-NH2 2.96Å; E1124-R1155 IonicContact OE2-NH2 3.89Å; I1151-R1155 HydrophobicContact CG2-CB 4.43Å; I1151-R1155 CarbonylContact O-C 3.6Å; I1151-R1155 WeakPolarHBondContact O-CA 3.47Å; I1151-R1155 WeakPolarHBondContact O-CB 3.48Å; I1151-R1155 PolarHBondContact O-N 3.26Å; R1155-S1157 PolarHBondContact O-N 3.49Å; R1155-S1158 WeakPolarHBondContact O-CB 3.45Å; R1155-S1158 PolarHBondContact O-N 3.49Å; R1155-H1161 HydrophobicContact CB-CB 4.19Å | ||
| 1156 | F | 82.3 | Confident | 84.6 | Confident | 10 Ų | 10 | 33.8 Ų | 33.8 | 4% | 0.044 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -37.1 | -178.8 | -168.5 | -88.1 | 0 | 0 | 0 | 113.7 | I1151 L1152 S1158 V1162 H1187 Q1189 V1193 L1206 | I1151-F1156 PolarHBondContact O-N 2.77Å; I1151-F1156 VanDerWaalsContact O-N 3.14Å; L1152-F1156 HydrophobicContact CD2-CD2 4.17Å; L1152-F1156 HydrophobicContact CD2-CE2 4.49Å; F1156-S1158 PolarHBondContact O-N 2.98Å; F1156-V1162 WeakPolarHBondContact O-CG2 3.38Å; F1156-H1187 AromaticContact CD1-CE1 3.74Å; F1156-H1187 AromaticContact CD1-ND1 3.7Å; F1156-H1187 HydrophobicContact CD2-CB 4.35Å; F1156-H1187 AromaticContact CD2-CD2 3.71Å; F1156-H1187 AromaticContact CD2-CE1 3.44Å; F1156-H1187 VanDerWaalsContact CD2-CE1 3.44Å; F1156-H1187 WeakPolarHBondContact CD2-CE1 3.49Å; F1156-H1187 AromaticContact CD2-CG 3.59Å; F1156-H1187 AromaticContact CD2-ND1 3.4Å; F1156-H1187 WeakPolarHBondContact CD2-ND1 3.23Å; F1156-H1187 AromaticContact CD2-NE2 3.64Å; F1156-H1187 AromaticContact CE1-ND1 3.72Å; F1156-H1187 HydrophobicContact CE2-CB 3.71Å; F1156-H1187 AromaticContact CE2-CD2 3.96Å; F1156-H1187 AromaticContact CE2-CE1 3.96Å; F1156-H1187 AromaticContact CE2-CG 3.43Å; F1156-H1187 VanDerWaalsContact CE2-CG 3.43Å; F1156-H1187 AromaticContact CE2-ND1 3.41Å; F1156-H1187 WeakPolarHBondContact CE2-ND1 3.33Å; F1156-H1187 AromaticContact CG-CE1 3.31Å; F1156-H1187 WeakPolarHBondContact CG-CE1 3.43Å; F1156-H1187 AromaticContact CG-ND1 3.55Å; F1156-H1187 AromaticContact CG-NE2 3.84Å; F1156-H1187 HydrophobicContact CZ-CB 4.04Å; F1156-H1187 AromaticContact CZ-CG 3.92Å; F1156-H1187 AromaticContact CZ-ND1 3.57Å; F1156-Q1189 HydrophobicContact CD1-CB 3.54Å; F1156-Q1189 HydrophobicContact CD1-CG 4.16Å; F1156-Q1189 HydrophobicContact CE1-CB 3.36Å; F1156-Q1189 HydrophobicContact CE1-CG 4.45Å; F1156-Q1189 HydrophobicContact CG-CB 4.49Å; F1156-Q1189 HydrophobicContact CZ-CB 4.19Å; F1156-V1193 HydrophobicContact CE1-CG2 4.4Å; F1156-L1206 HydrophobicContact CE1-CD1 4.37Å; F1156-L1206 HydrophobicContact CE2-CD2 4.45Å; F1156-L1206 HydrophobicContact CZ-CD1 4.26Å; F1156-L1206 HydrophobicContact CZ-CD2 4.2Å |
| 1157 | S | 81 | Confident | 84.6 | Confident | 93 Ų | 93 | 33.5 Ų | 33.5 | 65% | 0.65 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -2.3 | -179 | -45.4 | 0 | 0 | 0 | 0 | 114.3 | R1155 P1159 | R1155-S1157 PolarHBondContact O-N 3.49Å; S1157-P1159 WeakPolarHBondContact O-CD 3.02Å |
| 1158 | S | 83.7 | Confident | 84.4 | Confident | 22 Ų | 22 | 33.6 Ų | 33.6 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | trans | -95.9 | 112.1 | -178.4 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | R1155 F1156 S1160 H1161 V1162 | R1155-S1158 WeakPolarHBondContact O-CB 3.45Å; R1155-S1158 PolarHBondContact O-N 3.49Å; F1156-S1158 PolarHBondContact O-N 2.98Å; S1158-S1160 PolarHBondContact O-N 3.24Å; S1158-S1160 PolarHBondContact OG-OG 3.09Å; S1158-S1160 VanDerWaalsContact OG-OG 3.11Å; S1158-H1161 WeakPolarHBondContact CB-ND1 3.49Å; S1158-H1161 PolarHBondContact O-N 3.1Å; S1158-H1161 VanDerWaalsContact O-N 3.11Å; S1158-H1161 PolarHBondContact OG-ND1 3.12Å; S1158-V1162 WeakPolarHBondContact O-CG2 3.08Å; S1158-V1162 PolarHBondContact O-N 3.08Å | ||
| 1159 | P | 83 | Confident | 84.1 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 25% | 0.253 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62 | -32.2 | 178.4 | 25.1 | -33.6 | 0 | 0 | 0 | 111.2 | S1157 V1162 Q1163 L1202 | S1157-P1159 WeakPolarHBondContact O-CD 3.02Å; P1159-V1162 PolarHBondContact O-N 3.2Å; P1159-Q1163 VanDerWaalsContact O-CB 3.31Å; P1159-Q1163 WeakPolarHBondContact O-CB 2.98Å; P1159-Q1163 WeakPolarHBondContact O-CG 3.34Å; P1159-Q1163 PolarHBondContact O-N 3.42Å; P1159-L1202 HydrophobicContact CB-CD1 4.32Å |
| 1160 | S | 82.8 | Confident | 83.8 | Confident | 24 Ų | 24 | 31.3 Ų | 31.3 | 17% | 0.168 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 177 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | K1132 S1158 L1164 | K1132-S1160 WeakPolarHBondContact CE-O 3.23Å; K1132-S1160 VanDerWaalsContact NZ-CA 3.35Å; K1132-S1160 PolarHBondContact NZ-O 2.9Å; S1158-S1160 PolarHBondContact O-N 3.24Å; S1158-S1160 PolarHBondContact OG-OG 3.09Å; S1158-S1160 VanDerWaalsContact OG-OG 3.11Å; S1160-L1164 PolarHBondContact O-N 2.62Å; S1160-L1164 VanDerWaalsContact O-N 3.12Å |
| 1161 | H | 87.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73.3 | -37.2 | 178.8 | -62.8 | 73.4 | 0 | 0 | 0 | 112.1 | E1124 V1128 I1151 R1155 S1158 L1164 V1165 | E1124-H1161 IonicContact OE1-NE2 2.69Å; V1128-H1161 WeakPolarHBondContact CG2-NE2 3.34Å; I1151-H1161 HydrophobicContact CD1-CB 4.48Å; I1151-H1161 HydrophobicContact CG1-CB 4.39Å; I1151-H1161 HydrophobicContact CG2-CB 3.6Å; R1155-H1161 HydrophobicContact CB-CB 4.19Å; S1158-H1161 WeakPolarHBondContact CB-ND1 3.49Å; S1158-H1161 PolarHBondContact O-N 3.1Å; S1158-H1161 VanDerWaalsContact O-N 3.11Å; S1158-H1161 PolarHBondContact OG-ND1 3.12Å; H1161-L1164 VanDerWaalsContact O-CB 3.32Å; H1161-L1164 WeakPolarHBondContact O-CB 3.3Å; H1161-L1164 PolarHBondContact O-N 2.95Å; H1161-V1165 WeakPolarHBondContact O-CG2 3.45Å; H1161-V1165 PolarHBondContact O-N 3.2Å; H1161-V1165 VanDerWaalsContact O-N 3.07Å |
| 1162 | V | 86.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.3 | -43.1 | 176.5 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | F1156 S1158 P1159 L1164 V1165 S1166 L1202 L1206 L1209 | F1156-V1162 WeakPolarHBondContact O-CG2 3.38Å; S1158-V1162 WeakPolarHBondContact O-CG2 3.08Å; S1158-V1162 PolarHBondContact O-N 3.08Å; P1159-V1162 PolarHBondContact O-N 3.2Å; V1162-L1164 PolarHBondContact O-N 2.92Å; V1162-V1165 CarbonylContact O-C 3.56Å; V1162-V1165 WeakPolarHBondContact O-CB 3.36Å; V1162-V1165 PolarHBondContact O-N 2.82Å; V1162-V1165 VanDerWaalsContact O-N 3.08Å; V1162-S1166 PolarHBondContact O-N 3.44Å; V1162-L1202 HydrophobicContact CG2-CD1 4.24Å; V1162-L1206 HydrophobicContact CG1-CD2 3.55Å; V1162-L1206 HydrophobicContact CG1-CG 3.91Å; V1162-L1206 HydrophobicContact CG2-CD2 4.35Å; V1162-L1209 HydrophobicContact CG1-CD2 4.42Å |
| 1163 | Q | 85.6 | Confident | 81.8 | Confident | 76 Ų | 76 | 40.6 Ų | 40.6 | 36% | 0.355 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.8 | -37.1 | 173.5 | -75.7 | 172.5 | -4.9 | 0 | 0 | 111.9 | P1159 S1166 Q1167 S1205 | P1159-Q1163 VanDerWaalsContact O-CB 3.31Å; P1159-Q1163 WeakPolarHBondContact O-CB 2.98Å; P1159-Q1163 WeakPolarHBondContact O-CG 3.34Å; P1159-Q1163 PolarHBondContact O-N 3.42Å; Q1163-S1166 WeakPolarHBondContact O-CB 3.43Å; Q1163-S1166 PolarHBondContact O-N 3.49Å; Q1163-Q1167 WeakPolarHBondContact O-CB 3.47Å; Q1163-Q1167 PolarHBondContact O-N 3.36Å; Q1163-S1205 WeakPolarHBondContact CG-OG 3.43Å; Q1163-S1205 PolarHBondContact NE2-OG 3.29Å |
| 1164 | L | 86.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.7 | -50.5 | 173.1 | 175.1 | 60.6 | 0 | 0 | 0 | 109.7 | L1109 V1128 V1131 K1132 I1151 S1160 H1161 V1162 S1166 Q1167 M1168 | L1109-L1164 HydrophobicContact CD2-CD2 4.36Å; V1128-L1164 HydrophobicContact CG1-CD2 4.46Å; V1131-L1164 HydrophobicContact CB-CD1 3.96Å; V1131-L1164 HydrophobicContact CB-CD2 4.03Å; V1131-L1164 HydrophobicContact CG1-CD1 3.55Å; V1131-L1164 HydrophobicContact CG1-CD2 3.93Å; V1131-L1164 HydrophobicContact CG1-CG 4.32Å; K1132-L1164 HydrophobicContact CB-CD1 4.38Å; K1132-L1164 HydrophobicContact CG-CB 3.85Å; K1132-L1164 HydrophobicContact CG-CD1 3.79Å; K1132-L1164 HydrophobicContact CG-CG 4.39Å; I1151-L1164 HydrophobicContact CD1-CD2 4.14Å; S1160-L1164 PolarHBondContact O-N 2.62Å; S1160-L1164 VanDerWaalsContact O-N 3.12Å; H1161-L1164 VanDerWaalsContact O-CB 3.32Å; H1161-L1164 WeakPolarHBondContact O-CB 3.3Å; H1161-L1164 PolarHBondContact O-N 2.95Å; V1162-L1164 PolarHBondContact O-N 2.92Å; L1164-S1166 VanDerWaalsContact C-N 3.34Å; L1164-S1166 PolarHBondContact O-N 3.28Å; L1164-Q1167 CarbonylContact O-C 3.52Å; L1164-Q1167 WeakPolarHBondContact O-CB 3.34Å; L1164-Q1167 PolarHBondContact O-N 2.79Å; L1164-Q1167 VanDerWaalsContact O-N 3.15Å; L1164-M1168 HydrophobicContact CD1-CE 3.76Å; L1164-M1168 HydrophobicContact CD1-CG 4.44Å; L1164-M1168 HydrophobicContact CD2-CE 3.88Å; L1164-M1168 HydrophobicContact CG-CE 3.63Å; L1164-M1168 HydrophobicContact CG-CG 4.48Å; L1164-M1168 WeakPolarHBondContact O-CG 3.16Å; L1164-M1168 PolarHBondContact O-N 3.4Å |
| 1165 | V | 85.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.4 | -40.3 | 176 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | W1148 I1151 H1161 V1162 Q1167 M1168 V1169 L1180 L1209 | W1148-V1165 HydrophobicContact CB-CG1 4.16Å; W1148-V1165 HydrophobicContact CB-CG2 4.08Å; I1151-V1165 HydrophobicContact CB-CG2 4.17Å; I1151-V1165 HydrophobicContact CD1-CG2 4.06Å; I1151-V1165 HydrophobicContact CG2-CG2 3.72Å; H1161-V1165 WeakPolarHBondContact O-CG2 3.45Å; H1161-V1165 PolarHBondContact O-N 3.2Å; H1161-V1165 VanDerWaalsContact O-N 3.07Å; V1162-V1165 CarbonylContact O-C 3.56Å; V1162-V1165 WeakPolarHBondContact O-CB 3.36Å; V1162-V1165 PolarHBondContact O-N 2.82Å; V1162-V1165 VanDerWaalsContact O-N 3.08Å; V1165-Q1167 VanDerWaalsContact C-N 3.33Å; V1165-Q1167 PolarHBondContact O-N 2.64Å; V1165-M1168 WeakPolarHBondContact O-CA 3.48Å; V1165-M1168 VanDerWaalsContact O-CB 3.31Å; V1165-M1168 WeakPolarHBondContact O-CB 3.33Å; V1165-M1168 PolarHBondContact O-N 3.47Å; V1165-V1169 WeakPolarHBondContact O-CG2 3.06Å; V1165-V1169 PolarHBondContact O-N 2.93Å; V1165-L1180 HydrophobicContact CG1-CD1 3.88Å; V1165-L1209 HydrophobicContact CB-CD2 4.49Å; V1165-L1209 HydrophobicContact CG1-CD1 3.91Å; V1165-L1209 HydrophobicContact CG1-CD2 4.04Å |
| 1166 | S | 84.1 | Confident | 78.4 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.1 | -48.5 | 173.9 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | V1162 Q1163 L1164 M1168 A1170 S1208 L1209 V1212 | V1162-S1166 PolarHBondContact O-N 3.44Å; Q1163-S1166 WeakPolarHBondContact O-CB 3.43Å; Q1163-S1166 PolarHBondContact O-N 3.49Å; L1164-S1166 VanDerWaalsContact C-N 3.34Å; L1164-S1166 PolarHBondContact O-N 3.28Å; S1166-M1168 PolarHBondContact O-N 3.03Å; S1166-A1170 PolarHBondContact O-N 2.81Å; S1166-S1208 VanDerWaalsContact OG-C 3.31Å; S1166-S1208 PolarHBondContact OG-OG 2.98Å; S1166-S1208 VanDerWaalsContact OG-OG 3.11Å; S1166-L1209 VanDerWaalsContact CA-CD1 3.49Å; S1166-L1209 VanDerWaalsContact OG-CA 3.25Å; S1166-L1209 WeakPolarHBondContact OG-CA 3.47Å; S1166-L1209 PolarHBondContact OG-N 2.94Å; S1166-L1209 VanDerWaalsContact OG-N 3.11Å; S1166-V1212 WeakPolarHBondContact O-CG1 3.29Å |
| 1167 | Q | 84.1 | Confident | 77.6 | Confident | 72 Ų | 72 | 39.4 Ų | 39.4 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.3 | -34.7 | 175.8 | -166.9 | 179.4 | -3.6 | 0 | 0 | 111.3 | K1132 W1135 Q1163 L1164 V1165 A1170 | K1132-Q1167 VanDerWaalsContact CA-OE1 3.31Å; K1132-Q1167 PolarHBondContact O-NE2 2.88Å; K1132-Q1167 PolarHBondContact O-OE1 3.16Å; W1135-Q1167 HydrophobicContact CB-CG 4.22Å; W1135-Q1167 VanDerWaalsContact CD1-O 3.27Å; W1135-Q1167 HydrophobicContact CG-CG 4.19Å; W1135-Q1167 PolarHBondContact NE1-O 3.31Å; W1135-Q1167 VanDerWaalsContact NE1-O 3.14Å; Q1163-Q1167 WeakPolarHBondContact O-CB 3.47Å; Q1163-Q1167 PolarHBondContact O-N 3.36Å; L1164-Q1167 CarbonylContact O-C 3.52Å; L1164-Q1167 WeakPolarHBondContact O-CB 3.34Å; L1164-Q1167 PolarHBondContact O-N 2.79Å; L1164-Q1167 VanDerWaalsContact O-N 3.15Å; V1165-Q1167 VanDerWaalsContact C-N 3.33Å; V1165-Q1167 PolarHBondContact O-N 2.64Å; Q1167-A1170 PolarHBondContact O-N 3.04Å |
| 1168 | M | 83.3 | Confident | 77.3 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.3 | -54.2 | 176.9 | -63.3 | -164.3 | 170.8 | 0 | 0 | 113 | M1106 V1131 W1135 L1147 L1164 V1165 S1166 A1170 S1171 | M1106-M1168 HydrophobicContact CE-CE 4.14Å; M1106-M1168 HydrophobicContact SD-CE 4.35Å; V1131-M1168 HydrophobicContact CG1-CE 3.9Å; W1135-M1168 HydrophobicContact CD2-CB 4.23Å; W1135-M1168 HydrophobicContact CD2-CE 4.45Å; W1135-M1168 HydrophobicContact CD2-CG 3.66Å; W1135-M1168 HydrophobicContact CE3-CB 4.42Å; W1135-M1168 HydrophobicContact CE3-CE 3.46Å; W1135-M1168 VanDerWaalsContact CE3-CE 3.46Å; W1135-M1168 HydrophobicContact CE3-CG 3.51Å; W1135-M1168 HydrophobicContact CE3-SD 3.97Å; W1135-M1168 HydrophobicContact CH2-CB 3.6Å; W1135-M1168 HydrophobicContact CH2-CE 4.13Å; W1135-M1168 HydrophobicContact CH2-CG 3.4Å; W1135-M1168 HydrophobicContact CH2-SD 3.6Å; W1135-M1168 VanDerWaalsContact CH2-SD 3.6Å; W1135-M1168 HydrophobicContact CZ2-CB 3.43Å; W1135-M1168 VanDerWaalsContact CZ2-CB 3.43Å; W1135-M1168 HydrophobicContact CZ2-CG 3.61Å; W1135-M1168 WeakPolarHBondContact CZ2-O 3.3Å; W1135-M1168 HydrophobicContact CZ2-SD 4.4Å; W1135-M1168 HydrophobicContact CZ3-CB 4.12Å; W1135-M1168 HydrophobicContact CZ3-CE 3.25Å; W1135-M1168 HydrophobicContact CZ3-CG 3.37Å; W1135-M1168 HydrophobicContact CZ3-SD 3.37Å; W1135-M1168 WeakPolarHBondContact CZ3-SD 3.1Å; L1147-M1168 HydrophobicContact CD2-CE 3.49Å; L1147-M1168 VanDerWaalsContact CD2-CE 3.49Å; L1147-M1168 HydrophobicContact CD2-SD 4.48Å; L1147-M1168 HydrophobicContact CG-CE 4.37Å; L1164-M1168 HydrophobicContact CD1-CE 3.76Å; L1164-M1168 HydrophobicContact CD1-CG 4.44Å; L1164-M1168 HydrophobicContact CD2-CE 3.88Å; L1164-M1168 HydrophobicContact CG-CE 3.63Å; L1164-M1168 HydrophobicContact CG-CG 4.48Å; L1164-M1168 WeakPolarHBondContact O-CG 3.16Å; L1164-M1168 PolarHBondContact O-N 3.4Å; V1165-M1168 WeakPolarHBondContact O-CA 3.48Å; V1165-M1168 VanDerWaalsContact O-CB 3.31Å; V1165-M1168 WeakPolarHBondContact O-CB 3.33Å; V1165-M1168 PolarHBondContact O-N 3.47Å; S1166-M1168 PolarHBondContact O-N 3.03Å; M1168-A1170 VanDerWaalsContact C-N 3.34Å; M1168-A1170 PolarHBondContact O-N 3.09Å; M1168-S1171 PolarHBondContact O-N 3.41Å; M1168-S1171 PolarHBondContact O-OG 2.75Å |
| 1169 | V | 79.5 | Confident | 76.9 | Confident | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | -179.1 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | V1165 S1171 L1172 L1180 L1209 V1212 C1213 N1216 | V1165-V1169 WeakPolarHBondContact O-CG2 3.06Å; V1165-V1169 PolarHBondContact O-N 2.93Å; V1169-S1171 PolarHBondContact O-N 3.31Å; V1169-L1172 PolarHBondContact O-N 2.73Å; V1169-L1180 HydrophobicContact CG2-CD1 3.42Å; V1169-L1180 VanDerWaalsContact CG2-CD1 3.42Å; V1169-L1180 HydrophobicContact CG2-CD2 4.38Å; V1169-L1209 HydrophobicContact CB-CD1 4.07Å; V1169-L1209 HydrophobicContact CG2-CD1 3.59Å; V1169-V1212 HydrophobicContact CB-CG1 3.87Å; V1169-V1212 HydrophobicContact CG1-CG1 3.81Å; V1169-C1213 HydrophobicContact CG1-CB 4.15Å; V1169-C1213 VanDerWaalsContact CG1-SG 3.5Å; V1169-N1216 PolarHBondContact O-ND2 3.49Å |
| 1170 | A | 77.8 | Confident | 76.8 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -52.5 | -31.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1166 Q1167 M1168 V1212 N1216 | S1166-A1170 PolarHBondContact O-N 2.81Å; Q1167-A1170 PolarHBondContact O-N 3.04Å; M1168-A1170 VanDerWaalsContact C-N 3.34Å; M1168-A1170 PolarHBondContact O-N 3.09Å; A1170-V1212 HydrophobicContact CB-CB 4.37Å; A1170-V1212 HydrophobicContact CB-CG1 3.39Å; A1170-V1212 HydrophobicContact CB-CG2 4.04Å; A1170-N1216 VanDerWaalsContact C-ND2 3.31Å; A1170-N1216 WeakPolarHBondContact CA-ND2 3.33Å; A1170-N1216 PolarHBondContact O-ND2 3.02Å |
| 1171 | S | 78.2 | Confident | 76.7 | Confident | 40 Ų | 40 | 40.6 Ų | 40.6 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -87.3 | -24.6 | -179.7 | 75.8 | 0 | 0 | 0 | 0 | 115.4 | W1135 P1137 M1168 V1169 | W1135-S1171 WeakPolarHBondContact CZ2-OG 3.25Å; W1135-S1171 PolarHBondContact NE1-OG 2.73Å; P1137-S1171 WeakPolarHBondContact CB-OG 3.46Å; P1137-S1171 WeakPolarHBondContact CD-OG 3.44Å; P1137-S1171 WeakPolarHBondContact CG-OG 3.03Å; M1168-S1171 PolarHBondContact O-N 3.41Å; M1168-S1171 PolarHBondContact O-OG 2.75Å; V1169-S1171 PolarHBondContact O-N 3.31Å |
| 1172 | L | 74.8 | Confident | 76.4 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | trans | -98.8 | 92.2 | -173.7 | -70.4 | 167 | 0 | 0 | 0 | 109.8 | W1135 P1137 Y1144 V1169 S1174 M1176 | W1135-L1172 HydrophobicContact CZ2-CD1 4.21Å; W1135-L1172 HydrophobicContact CZ2-CG 4.48Å; P1137-L1172 HydrophobicContact CB-CD2 3.27Å; P1137-L1172 HydrophobicContact CB-CG 3.73Å; P1137-L1172 HydrophobicContact CG-CD2 4.47Å; Y1144-L1172 HydrophobicContact CD2-CD1 3.66Å; Y1144-L1172 HydrophobicContact CE2-CD1 3.58Å; Y1144-L1172 HydrophobicContact CG-CD1 4.36Å; V1169-L1172 PolarHBondContact O-N 2.73Å; L1172-S1174 PolarHBondContact O-N 3.47Å; L1172-M1176 HydrophobicContact CD1-CE 4.06Å | ||
| 1173 | K | 60.1 | Low | 76.2 | Confident | 152 Ų | 152 | 46.9 Ų | 46.9 | 66% | 0.661 | 27% | 0.269 | S | S | * | . | trans | -73.2 | -7 | -167.3 | -84.4 | -172.3 | 174 | -170.3 | 0 | 119.2 | N1216 | K1173-N1216 HydrophobicContact CG-CB 4.29Å; K1173-N1216 WeakPolarHBondContact CG-OD1 2.94Å; K1173-N1216 CarbonylContact O-C 3.1Å | ||
| 1174 | S | 57.2 | Low | 76.1 | Confident | 91 Ų | 91 | 43.2 Ų | 43.2 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -157.8 | 12.6 | -170.9 | 66.5 | 0 | 0 | 0 | 0 | 122.6 | L1172 | L1172-S1174 PolarHBondContact O-N 3.47Š|
| 1175 | T | 57.3 | Low | 75.9 | Confident | 101 Ų | 101 | 45.6 Ų | 45.6 | 62% | 0.62 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -140.2 | 0.4 | 178.9 | 50.2 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1176 | M | 65.7 | Low | 75.5 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 7% | 0.069 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -114.8 | -6.8 | -170 | -79.8 | -102 | -69.9 | 0 | 0 | 115.1 | Y1144 R1145 W1148 L1172 L1180 | Y1144-M1176 HydrophobicContact CD2-CE 3.41Å; Y1144-M1176 VanDerWaalsContact CD2-CE 3.41Å; Y1144-M1176 HydrophobicContact CD2-SD 4.08Å; Y1144-M1176 HydrophobicContact CE2-CE 3.35Å; Y1144-M1176 HydrophobicContact CE2-CG 3.91Å; Y1144-M1176 HydrophobicContact CE2-SD 3.47Å; Y1144-M1176 WeakPolarHBondContact CE2-SD 3.17Å; R1145-M1176 HydrophobicContact CG-CE 4.42Å; R1145-M1176 HydrophobicContact CG-SD 3.47Å; R1145-M1176 WeakPolarHBondContact CG-SD 3.4Å; W1148-M1176 HydrophobicContact CG-CE 4.36Å; W1148-M1176 PolarHBondContact NE1-SD 3Å; W1148-M1176 VanDerWaalsContact NE1-SD 3.35Å; L1172-M1176 HydrophobicContact CD1-CE 4.06Å; M1176-L1180 WeakPolarHBondContact O-CB 3.08Å |
| 1177 | G | 66.1 | Low | 75.4 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 9% | 0.093 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -50.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114 | L1180 V1181 L1220 | G1177-L1180 PolarHBondContact O-N 3.49Å; G1177-V1181 WeakPolarHBondContact O-CB 3.2Å; G1177-V1181 VanDerWaalsContact O-CG2 3.28Å; G1177-V1181 WeakPolarHBondContact O-CG2 3.27Å; G1177-V1181 PolarHBondContact O-N 3.46Å; G1177-L1220 VanDerWaalsContact C-CD2 3.43Å |
| 1178 | L | 73.1 | Confident | 75.2 | Confident | 127 Ų | 127 | 51.5 Ų | 51.5 | 67% | 0.665 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.1 | -48.3 | -169.5 | -172.3 | 71.9 | 0 | 0 | 0 | 113.1 | L1180 S1182 L1220 | L1178-L1180 VanDerWaalsContact C-N 3.3Å; L1178-L1180 PolarHBondContact O-N 2.85Å; L1178-S1182 WeakPolarHBondContact O-CB 3.43Å; L1178-S1182 PolarHBondContact O-N 2.97Å; L1178-S1182 PolarHBondContact O-OG 3.02Å; L1178-L1220 HydrophobicContact CB-CD2 4.04Å |
| 1179 | P | 76.3 | Confident | 75 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.4 | -33.1 | 176.8 | -21.8 | 34.1 | 0 | 0 | 0 | 113.5 | W1148 S1182 M1183 | W1148-P1179 HydrophobicContact CH2-CB 4.07Å; W1148-P1179 HydrophobicContact CZ2-CB 4.4Å; P1179-S1182 WeakPolarHBondContact CA-OG 3.21Å; P1179-S1182 PolarHBondContact O-OG 3Å; P1179-M1183 WeakPolarHBondContact O-CB 3.13Å; P1179-M1183 VanDerWaalsContact O-CG 3.25Å; P1179-M1183 WeakPolarHBondContact O-CG 3.49Å; P1179-M1183 PolarHBondContact O-N 2.98Å |
| 1180 | L | 80.9 | Confident | 75.1 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -77.3 | -47.2 | -177 | -167.3 | 154 | 0 | 0 | 0 | 110.8 | W1148 L1152 V1165 V1169 M1176 G1177 L1178 S1182 M1183 V1184 L1209 | W1148-L1180 HydrophobicContact CD2-CD1 4.3Å; W1148-L1180 HydrophobicContact CE3-CD1 4.34Å; W1148-L1180 HydrophobicContact CE3-CG 4.39Å; W1148-L1180 HydrophobicContact CZ3-CB 4.43Å; W1148-L1180 HydrophobicContact CZ3-CG 4.46Å; L1152-L1180 HydrophobicContact CD1-CG 4.4Å; V1165-L1180 HydrophobicContact CG1-CD1 3.88Å; V1169-L1180 HydrophobicContact CG2-CD1 3.42Å; V1169-L1180 VanDerWaalsContact CG2-CD1 3.42Å; V1169-L1180 HydrophobicContact CG2-CD2 4.38Å; M1176-L1180 WeakPolarHBondContact O-CB 3.08Å; G1177-L1180 PolarHBondContact O-N 3.49Å; L1178-L1180 VanDerWaalsContact C-N 3.3Å; L1178-L1180 PolarHBondContact O-N 2.85Å; L1180-S1182 VanDerWaalsContact C-N 3.32Å; L1180-S1182 PolarHBondContact O-N 3.46Å; L1180-M1183 PolarHBondContact O-N 3.32Å; L1180-V1184 HydrophobicContact CD2-CG2 3.96Å; L1180-V1184 WeakPolarHBondContact O-CB 3.44Å; L1180-V1184 VanDerWaalsContact O-CG2 3.29Å; L1180-V1184 WeakPolarHBondContact O-CG2 3.41Å; L1180-V1184 PolarHBondContact O-N 3.44Å; L1180-L1209 HydrophobicContact CD2-CD1 3.84Å; L1180-L1209 HydrophobicContact CD2-CD2 4.07Å; L1180-L1209 HydrophobicContact CD2-CG 4.06Å |
| 1181 | V | 81.3 | Confident | 75.1 | Confident | 11 Ų | 11 | 55 Ų | 55 | 7% | 0.067 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 174.5 | 172.8 | 0 | 0 | 0 | 0 | 109.9 | G1177 V1184 F1185 L1210 C1213 L1220 | G1177-V1181 WeakPolarHBondContact O-CB 3.2Å; G1177-V1181 VanDerWaalsContact O-CG2 3.28Å; G1177-V1181 WeakPolarHBondContact O-CG2 3.27Å; G1177-V1181 PolarHBondContact O-N 3.46Å; V1181-V1184 PolarHBondContact O-N 3.16Å; V1181-F1185 HydrophobicContact CG1-CD2 3.52Å; V1181-F1185 HydrophobicContact CG1-CE2 3.67Å; V1181-F1185 WeakPolarHBondContact O-CB 3.04Å; V1181-F1185 WeakPolarHBondContact O-CD2 3.39Å; V1181-F1185 PolarHBondContact O-N 3.48Å; V1181-L1210 HydrophobicContact CG2-CD2 4.42Å; V1181-C1213 HydrophobicContact CG2-CB 3.92Å; V1181-L1220 HydrophobicContact CG2-CD1 4.25Å |
| 1182 | S | 80.3 | Confident | 75.2 | Confident | 67 Ų | 67 | 56.4 Ų | 56.4 | 47% | 0.469 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.8 | -38.5 | 175.9 | 70.7 | 0 | 0 | 0 | 0 | 113 | L1178 P1179 L1180 G1186 | L1178-S1182 WeakPolarHBondContact O-CB 3.43Å; L1178-S1182 PolarHBondContact O-N 2.97Å; L1178-S1182 PolarHBondContact O-OG 3.02Å; P1179-S1182 WeakPolarHBondContact CA-OG 3.21Å; P1179-S1182 PolarHBondContact O-OG 3Å; L1180-S1182 VanDerWaalsContact C-N 3.32Å; L1180-S1182 PolarHBondContact O-N 3.46Å; S1182-G1186 VanDerWaalsContact O-CA 3.26Å; S1182-G1186 WeakPolarHBondContact O-CA 3.38Å; S1182-G1186 PolarHBondContact O-N 3.02Å |
| 1183 | M | 81.9 | Confident | 75.5 | Confident | 65 Ų | 65 | 56 Ų | 56 | 32% | 0.32 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 173.3 | -83 | -173.3 | 63 | 0 | 0 | 112.3 | W1148 L1152 P1179 L1180 H1187 | W1148-M1183 HydrophobicContact CE3-SD 4.48Å; W1148-M1183 HydrophobicContact CH2-SD 3.66Å; W1148-M1183 HydrophobicContact CZ3-CB 4.47Å; W1148-M1183 HydrophobicContact CZ3-CE 4.08Å; W1148-M1183 HydrophobicContact CZ3-CG 4.4Å; W1148-M1183 HydrophobicContact CZ3-SD 3.34Å; W1148-M1183 WeakPolarHBondContact CZ3-SD 3.4Å; L1152-M1183 HydrophobicContact CB-CE 3.97Å; L1152-M1183 HydrophobicContact CD1-CB 4.34Å; L1152-M1183 HydrophobicContact CD1-CE 4.42Å; P1179-M1183 WeakPolarHBondContact O-CB 3.13Å; P1179-M1183 VanDerWaalsContact O-CG 3.25Å; P1179-M1183 WeakPolarHBondContact O-CG 3.49Å; P1179-M1183 PolarHBondContact O-N 2.98Å; L1180-M1183 PolarHBondContact O-N 3.32Å; M1183-H1187 WeakPolarHBondContact O-CA 3.47Å; M1183-H1187 WeakPolarHBondContact O-CB 3.16Å; M1183-H1187 PolarHBondContact O-N 3.35Å |
| 1184 | V | 83.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.5 | -52.8 | 178.6 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | L1152 L1180 V1181 G1186 H1187 F1190 L1209 L1210 | L1152-V1184 HydrophobicContact CD1-CG2 4.21Å; L1180-V1184 HydrophobicContact CD2-CG2 3.96Å; L1180-V1184 WeakPolarHBondContact O-CB 3.44Å; L1180-V1184 VanDerWaalsContact O-CG2 3.29Å; L1180-V1184 WeakPolarHBondContact O-CG2 3.41Å; L1180-V1184 PolarHBondContact O-N 3.44Å; V1181-V1184 PolarHBondContact O-N 3.16Å; V1184-G1186 VanDerWaalsContact C-N 3.28Å; V1184-G1186 PolarHBondContact O-N 3.26Å; V1184-H1187 PolarHBondContact O-N 2.81Å; V1184-F1190 HydrophobicContact CG1-CD2 3.68Å; V1184-F1190 HydrophobicContact CG1-CE2 3.83Å; V1184-F1190 WeakPolarHBondContact O-CB 3.42Å; V1184-F1190 VanDerWaalsContact O-CD2 3.25Å; V1184-F1190 WeakPolarHBondContact O-CD2 3.33Å; V1184-F1190 WeakPolarHBondContact O-CG 3.46Å; V1184-L1209 HydrophobicContact CG2-CD2 4.13Å; V1184-L1210 HydrophobicContact CG1-CD2 4.27Å |
| 1185 | F | 81.8 | Confident | 77.2 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -32 | 176.8 | -80 | -69.6 | 0 | 0 | 0 | 112.6 | V1181 F1190 L1210 N1225 A1228 | V1181-F1185 HydrophobicContact CG1-CD2 3.52Å; V1181-F1185 HydrophobicContact CG1-CE2 3.67Å; V1181-F1185 WeakPolarHBondContact O-CB 3.04Å; V1181-F1185 WeakPolarHBondContact O-CD2 3.39Å; V1181-F1185 PolarHBondContact O-N 3.48Å; F1185-F1190 HydrophobicContact CD1-CD1 4.28Å; F1185-F1190 AromaticContact CD1-CE1 3.6Å; F1185-F1190 HydrophobicContact CD1-CE1 3.6Å; F1185-F1190 HydrophobicContact CD1-CE2 4.12Å; F1185-F1190 AromaticContact CD1-CZ 3.51Å; F1185-F1190 HydrophobicContact CD1-CZ 3.51Å; F1185-F1190 AromaticContact CE1-CE1 3.9Å; F1185-F1190 HydrophobicContact CE1-CE1 3.9Å; F1185-F1190 HydrophobicContact CE1-CE2 4.28Å; F1185-F1190 AromaticContact CE1-CZ 3.5Å; F1185-F1190 HydrophobicContact CE1-CZ 3.5Å; F1185-F1190 HydrophobicContact CG-CZ 4.49Å; F1185-F1190 HydrophobicContact CZ-CZ 4.48Å; F1185-L1210 HydrophobicContact CD2-CD2 4.44Å; F1185-L1210 HydrophobicContact CE2-CD1 4.35Å; F1185-L1210 HydrophobicContact CE2-CD2 3.88Å; F1185-L1210 HydrophobicContact CZ-CD1 4Å; F1185-L1210 HydrophobicContact CZ-CD2 4.36Å; F1185-N1225 HydrophobicContact CE1-CB 4.48Å; F1185-N1225 HydrophobicContact CE2-CB 4.13Å; F1185-N1225 HydrophobicContact CZ-CB 3.82Å; F1185-A1228 HydrophobicContact CE1-CB 4.08Å |
| 1186 | G | 79 | Confident | 78 | Confident | 63 Ų | 63 | 48 Ų | 48 | 65% | 0.649 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -87.7 | -5.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1182 V1184 | S1182-G1186 VanDerWaalsContact O-CA 3.26Å; S1182-G1186 WeakPolarHBondContact O-CA 3.38Å; S1182-G1186 PolarHBondContact O-N 3.02Å; V1184-G1186 VanDerWaalsContact C-N 3.28Å; V1184-G1186 PolarHBondContact O-N 3.26Å |
| 1187 | H | 81.4 | Confident | 78.3 | Confident | 44 Ų | 44 | 47.9 Ų | 47.9 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -69.1 | 135.5 | 179.2 | -161.1 | -98.9 | 0 | 0 | 0 | 109.9 | L1152 F1156 M1183 V1184 Q1189 F1190 | L1152-H1187 PolarHBondContact O-NE2 3.06Å; F1156-H1187 AromaticContact CD1-CE1 3.74Å; F1156-H1187 AromaticContact CD1-ND1 3.7Å; F1156-H1187 HydrophobicContact CD2-CB 4.35Å; F1156-H1187 AromaticContact CD2-CD2 3.71Å; F1156-H1187 AromaticContact CD2-CE1 3.44Å; F1156-H1187 VanDerWaalsContact CD2-CE1 3.44Å; F1156-H1187 WeakPolarHBondContact CD2-CE1 3.49Å; F1156-H1187 AromaticContact CD2-CG 3.59Å; F1156-H1187 AromaticContact CD2-ND1 3.4Å; F1156-H1187 WeakPolarHBondContact CD2-ND1 3.23Å; F1156-H1187 AromaticContact CD2-NE2 3.64Å; F1156-H1187 AromaticContact CE1-ND1 3.72Å; F1156-H1187 HydrophobicContact CE2-CB 3.71Å; F1156-H1187 AromaticContact CE2-CD2 3.96Å; F1156-H1187 AromaticContact CE2-CE1 3.96Å; F1156-H1187 AromaticContact CE2-CG 3.43Å; F1156-H1187 VanDerWaalsContact CE2-CG 3.43Å; F1156-H1187 AromaticContact CE2-ND1 3.41Å; F1156-H1187 WeakPolarHBondContact CE2-ND1 3.33Å; F1156-H1187 AromaticContact CG-CE1 3.31Å; F1156-H1187 WeakPolarHBondContact CG-CE1 3.43Å; F1156-H1187 AromaticContact CG-ND1 3.55Å; F1156-H1187 AromaticContact CG-NE2 3.84Å; F1156-H1187 HydrophobicContact CZ-CB 4.04Å; F1156-H1187 AromaticContact CZ-CG 3.92Å; F1156-H1187 AromaticContact CZ-ND1 3.57Å; M1183-H1187 WeakPolarHBondContact O-CA 3.47Å; M1183-H1187 WeakPolarHBondContact O-CB 3.16Å; M1183-H1187 PolarHBondContact O-N 3.35Å; V1184-H1187 PolarHBondContact O-N 2.81Å; H1187-Q1189 WeakPolarHBondContact ND1-CB 3.45Å; H1187-Q1189 PolarHBondContact ND1-N 2.93Å; H1187-Q1189 VanDerWaalsContact ND1-N 3.18Å; H1187-Q1189 PolarHBondContact O-N 3.28Å; H1187-F1190 WeakPolarHBondContact O-CB 3.48Å; H1187-F1190 PolarHBondContact O-N 3.35Å |
| 1188 | S | 79.7 | Confident | 78.5 | Confident | 99 Ų | 99 | 56.7 Ų | 56.7 | 69% | 0.692 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.5 | 178.9 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1189 | Q | 80 | Confident | 78.7 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -2.4 | 177.9 | -59.4 | -70.1 | -24.1 | 0 | 0 | 114.8 | F1156 H1187 V1193 | F1156-Q1189 HydrophobicContact CD1-CB 3.54Å; F1156-Q1189 HydrophobicContact CD1-CG 4.16Å; F1156-Q1189 HydrophobicContact CE1-CB 3.36Å; F1156-Q1189 HydrophobicContact CE1-CG 4.45Å; F1156-Q1189 HydrophobicContact CG-CB 4.49Å; F1156-Q1189 HydrophobicContact CZ-CB 4.19Å; H1187-Q1189 WeakPolarHBondContact ND1-CB 3.45Å; H1187-Q1189 PolarHBondContact ND1-N 2.93Å; H1187-Q1189 VanDerWaalsContact ND1-N 3.18Å; H1187-Q1189 PolarHBondContact O-N 3.28Å; Q1189-V1193 HydrophobicContact CB-CG2 4.35Å; Q1189-V1193 VanDerWaalsContact O-CB 3.24Å; Q1189-V1193 WeakPolarHBondContact O-CB 3.23Å; Q1189-V1193 WeakPolarHBondContact O-CG2 3.35Å; Q1189-V1193 PolarHBondContact O-N 3.37Å; Q1189-V1193 VanDerWaalsContact O-N 3.1Å |
| 1190 | F | 81.2 | Confident | 78.7 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.7 | -53.5 | -176.6 | -179.5 | -96.4 | 0 | 0 | 0 | 113.6 | V1184 F1185 H1187 V1193 V1194 V1195 L1210 | V1184-F1190 HydrophobicContact CG1-CD2 3.68Å; V1184-F1190 HydrophobicContact CG1-CE2 3.83Å; V1184-F1190 WeakPolarHBondContact O-CB 3.42Å; V1184-F1190 VanDerWaalsContact O-CD2 3.25Å; V1184-F1190 WeakPolarHBondContact O-CD2 3.33Å; V1184-F1190 WeakPolarHBondContact O-CG 3.46Å; F1185-F1190 HydrophobicContact CD1-CD1 4.28Å; F1185-F1190 AromaticContact CD1-CE1 3.6Å; F1185-F1190 HydrophobicContact CD1-CE1 3.6Å; F1185-F1190 HydrophobicContact CD1-CE2 4.12Å; F1185-F1190 AromaticContact CD1-CZ 3.51Å; F1185-F1190 HydrophobicContact CD1-CZ 3.51Å; F1185-F1190 AromaticContact CE1-CE1 3.9Å; F1185-F1190 HydrophobicContact CE1-CE1 3.9Å; F1185-F1190 HydrophobicContact CE1-CE2 4.28Å; F1185-F1190 AromaticContact CE1-CZ 3.5Å; F1185-F1190 HydrophobicContact CE1-CZ 3.5Å; F1185-F1190 HydrophobicContact CG-CZ 4.49Å; F1185-F1190 HydrophobicContact CZ-CZ 4.48Å; H1187-F1190 WeakPolarHBondContact O-CB 3.48Å; H1187-F1190 PolarHBondContact O-N 3.35Å; F1190-V1193 PolarHBondContact O-N 3.03Å; F1190-V1194 HydrophobicContact CD2-CB 4.28Å; F1190-V1194 HydrophobicContact CD2-CG2 3.77Å; F1190-V1194 HydrophobicContact CE1-CB 4.42Å; F1190-V1194 HydrophobicContact CE2-CB 3.97Å; F1190-V1194 HydrophobicContact CE2-CG1 4.13Å; F1190-V1194 HydrophobicContact CE2-CG2 3.65Å; F1190-V1194 HydrophobicContact CG-CG2 4.47Å; F1190-V1194 HydrophobicContact CZ-CB 4.03Å; F1190-V1194 HydrophobicContact CZ-CG1 3.97Å; F1190-V1194 HydrophobicContact CZ-CG2 4.24Å; F1190-V1194 WeakPolarHBondContact O-CB 3.45Å; F1190-V1194 PolarHBondContact O-N 3.4Å; F1190-V1195 HydrophobicContact CE1-CG2 4.38Å; F1190-L1210 HydrophobicContact CE2-CD1 4.21Å |
| 1191 | G | 78.3 | Confident | 78.7 | Confident | 29 Ų | 29 | 66.8 Ų | 66.8 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -56.8 | -51.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1193 V1195 I1196 | G1191-V1193 VanDerWaalsContact C-N 3.29Å; G1191-V1193 PolarHBondContact O-N 3.44Å; G1191-V1195 PolarHBondContact O-N 3.31Å; G1191-I1196 PolarHBondContact O-N 2.93Å; G1191-I1196 VanDerWaalsContact O-N 3.07Å |
| 1192 | P | 79.4 | Confident | 78.8 | Confident | 68 Ų | 68 | 66.5 Ų | 66.5 | 44% | 0.442 | 37% | 0.367 | S | S | . | . | I | π-helix | trans | -56.8 | -37.1 | 176.3 | -28.1 | 34.9 | 0 | 0 | 0 | 114.3 | G1197 | P1192-G1197 WeakPolarHBondContact O-CA 3.32Å; P1192-G1197 PolarHBondContact O-N 3.01Å |
| 1193 | V | 80.3 | Confident | 79 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 12% | 0.121 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -89.8 | -45.3 | -174.4 | 174 | 0 | 0 | 0 | 0 | 112.8 | F1156 Q1189 F1190 G1191 G1197 L1202 R1203 L1206 | F1156-V1193 HydrophobicContact CE1-CG2 4.4Å; Q1189-V1193 HydrophobicContact CB-CG2 4.35Å; Q1189-V1193 VanDerWaalsContact O-CB 3.24Å; Q1189-V1193 WeakPolarHBondContact O-CB 3.23Å; Q1189-V1193 WeakPolarHBondContact O-CG2 3.35Å; Q1189-V1193 PolarHBondContact O-N 3.37Å; Q1189-V1193 VanDerWaalsContact O-N 3.1Å; F1190-V1193 PolarHBondContact O-N 3.03Å; G1191-V1193 VanDerWaalsContact C-N 3.29Å; G1191-V1193 PolarHBondContact O-N 3.44Å; V1193-G1197 VanDerWaalsContact O-CA 3.22Å; V1193-G1197 WeakPolarHBondContact O-CA 3.22Å; V1193-G1197 PolarHBondContact O-N 2.98Å; V1193-L1202 HydrophobicContact CB-CD2 4.4Å; V1193-L1202 HydrophobicContact CG1-CB 4.35Å; V1193-L1202 HydrophobicContact CG1-CD2 3.41Å; V1193-L1202 VanDerWaalsContact CG1-CD2 3.41Å; V1193-L1202 HydrophobicContact CG1-CG 3.56Å; V1193-L1202 HydrophobicContact CG2-CD2 4.02Å; V1193-R1203 WeakPolarHBondContact O-CD 3.48Å; V1193-R1203 WeakPolarHBondContact O-CG 3.49Å; V1193-L1206 HydrophobicContact CB-CD1 4.27Å; V1193-L1206 HydrophobicContact CG1-CD1 3.47Å; V1193-L1206 VanDerWaalsContact CG1-CD1 3.47Å |
| 1194 | V | 78.8 | Confident | 79.2 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -92.5 | -46.2 | -169.1 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | F1190 R1203 L1206 L1207 | F1190-V1194 HydrophobicContact CD2-CB 4.28Å; F1190-V1194 HydrophobicContact CD2-CG2 3.77Å; F1190-V1194 HydrophobicContact CE1-CB 4.42Å; F1190-V1194 HydrophobicContact CE2-CB 3.97Å; F1190-V1194 HydrophobicContact CE2-CG1 4.13Å; F1190-V1194 HydrophobicContact CE2-CG2 3.65Å; F1190-V1194 HydrophobicContact CG-CG2 4.47Å; F1190-V1194 HydrophobicContact CZ-CB 4.03Å; F1190-V1194 HydrophobicContact CZ-CG1 3.97Å; F1190-V1194 HydrophobicContact CZ-CG2 4.24Å; F1190-V1194 WeakPolarHBondContact O-CB 3.45Å; F1190-V1194 PolarHBondContact O-N 3.4Å; V1194-R1203 PolarHBondContact O-NE 3.43Å; V1194-L1206 HydrophobicContact CG2-CB 4.01Å; V1194-L1206 HydrophobicContact CG2-CD1 3.57Å; V1194-L1206 HydrophobicContact CG2-CG 4.43Å; V1194-L1207 HydrophobicContact CG1-CD1 4.48Å; V1194-L1207 HydrophobicContact CG1-CD2 4.03Å; V1194-L1207 HydrophobicContact CG1-CG 4.19Å |
| 1195 | V | 74.9 | Confident | 79.3 | Confident | 39 Ų | 39 | 64.7 Ų | 64.7 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -84.3 | -47.3 | -175.1 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | F1190 G1191 L1271 | F1190-V1195 HydrophobicContact CE1-CG2 4.38Å; G1191-V1195 PolarHBondContact O-N 3.31Å; V1195-L1271 HydrophobicContact CG1-CD1 4.29Å |
| 1196 | I | 73.9 | Confident | 79.6 | Confident | 134 Ų | 134 | 62.3 Ų | 62.3 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -96.6 | -26.2 | -177.3 | -57.7 | 173.6 | 0 | 0 | 0 | 111.7 | G1191 | G1191-I1196 PolarHBondContact O-N 2.93Å; G1191-I1196 VanDerWaalsContact O-N 3.07Å |
| 1197 | G | 72.8 | Confident | 80.1 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 13% | 0.134 | 31% | 0.308 | C | S | . | . | trans | -63.1 | 150 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1192 V1193 R1203 | P1192-G1197 WeakPolarHBondContact O-CA 3.32Å; P1192-G1197 PolarHBondContact O-N 3.01Å; V1193-G1197 VanDerWaalsContact O-CA 3.22Å; V1193-G1197 WeakPolarHBondContact O-CA 3.22Å; V1193-G1197 PolarHBondContact O-N 2.98Å; G1197-R1203 WeakPolarHBondContact O-CD 3.45Å; G1197-R1203 PolarHBondContact O-NH1 3.48Å | ||
| 1198 | K | 69.5 | Low | 80.4 | Confident | 194 Ų | 194 | 58.4 Ų | 58.4 | 84% | 0.843 | 31% | 0.306 | S | S | * | . | trans | -101.7 | -11.7 | 177.4 | -66.2 | -177.3 | 180 | -179.9 | 0 | 113.2 | E1200 | K1198-E1200 PolarHBondContact O-N 3.42Š| ||
| 1199 | E | 76.8 | Confident | 80.8 | Confident | 125 Ų | 125 | 53.7 Ų | 53.7 | 58% | 0.584 | 27% | 0.273 | S | S | * | . | trans | -74.2 | 95.2 | 179.2 | -70.1 | -170.8 | 174.9 | 0 | 0 | 111.1 | Q1201 L1202 R1203 | E1199-Q1201 VanDerWaalsContact C-N 3.27Å; E1199-Q1201 PolarHBondContact O-N 3.47Å; E1199-L1202 HydrophobicContact CB-CB 4.12Å; E1199-L1202 PolarHBondContact O-N 3.27Å; E1199-R1203 VanDerWaalsContact O-CB 3.3Å; E1199-R1203 WeakPolarHBondContact O-CB 3.32Å; E1199-R1203 VanDerWaalsContact O-CG 3.23Å; E1199-R1203 WeakPolarHBondContact O-CG 3.33Å; E1199-R1203 PolarHBondContact O-N 3.39Å | ||
| 1200 | E | 77.9 | Confident | 81.2 | Confident | 132 Ų | 132 | 49.9 Ų | 49.9 | 62% | 0.617 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -57.5 | -37.8 | 179.9 | -68.8 | -168.3 | 159.9 | 0 | 0 | 113 | K1198 H1204 | K1198-E1200 PolarHBondContact O-N 3.42Å; E1200-H1204 WeakPolarHBondContact O-CB 3.37Å; E1200-H1204 PolarHBondContact O-N 3Å |
| 1201 | Q | 80.6 | Confident | 81.5 | Confident | 147 Ų | 147 | 49.8 Ų | 49.8 | 69% | 0.687 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.8 | -46.8 | -178.1 | -69.4 | -175.2 | -5.1 | 0 | 0 | 112.3 | E1199 S1205 | E1199-Q1201 VanDerWaalsContact C-N 3.27Å; E1199-Q1201 PolarHBondContact O-N 3.47Å; Q1201-S1205 WeakPolarHBondContact O-CB 3.32Å; Q1201-S1205 PolarHBondContact O-N 2.87Å; Q1201-S1205 PolarHBondContact O-OG 3.47Å |
| 1202 | L | 82.3 | Confident | 81.9 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.2 | -42.1 | 178.7 | -175.8 | 61.2 | 0 | 0 | 0 | 110.7 | P1159 V1162 V1193 E1199 S1205 L1206 | P1159-L1202 HydrophobicContact CB-CD1 4.32Å; V1162-L1202 HydrophobicContact CG2-CD1 4.24Å; V1193-L1202 HydrophobicContact CB-CD2 4.4Å; V1193-L1202 HydrophobicContact CG1-CB 4.35Å; V1193-L1202 HydrophobicContact CG1-CD2 3.41Å; V1193-L1202 VanDerWaalsContact CG1-CD2 3.41Å; V1193-L1202 HydrophobicContact CG1-CG 3.56Å; V1193-L1202 HydrophobicContact CG2-CD2 4.02Å; E1199-L1202 HydrophobicContact CB-CB 4.12Å; E1199-L1202 PolarHBondContact O-N 3.27Å; L1202-S1205 PolarHBondContact O-N 2.82Å; L1202-L1206 HydrophobicContact CD1-CD1 4.5Å; L1202-L1206 HydrophobicContact CG-CD1 4.29Å; L1202-L1206 PolarHBondContact O-N 2.85Å |
| 1203 | R | 85.7 | Confident | 82.2 | Confident | 32 Ų | 32 | 46.2 Ų | 46.2 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.4 | -51.4 | 174.2 | -77 | 179 | 64.2 | -167.8 | -6.4 | 112.5 | V1193 V1194 G1197 E1199 S1205 L1206 L1207 V1240 | V1193-R1203 WeakPolarHBondContact O-CD 3.48Å; V1193-R1203 WeakPolarHBondContact O-CG 3.49Å; V1194-R1203 PolarHBondContact O-NE 3.43Å; G1197-R1203 WeakPolarHBondContact O-CD 3.45Å; G1197-R1203 PolarHBondContact O-NH1 3.48Å; E1199-R1203 VanDerWaalsContact O-CB 3.3Å; E1199-R1203 WeakPolarHBondContact O-CB 3.32Å; E1199-R1203 VanDerWaalsContact O-CG 3.23Å; E1199-R1203 WeakPolarHBondContact O-CG 3.33Å; E1199-R1203 PolarHBondContact O-N 3.39Å; R1203-S1205 VanDerWaalsContact C-N 3.27Å; R1203-S1205 PolarHBondContact O-N 3.11Å; R1203-L1206 PolarHBondContact O-N 2.89Å; R1203-L1207 WeakPolarHBondContact O-CB 2.9Å; R1203-L1207 WeakPolarHBondContact O-CG 3.2Å; R1203-L1207 PolarHBondContact O-N 3.12Å; R1203-V1240 HydrophobicContact CB-CG2 4.44Å |
| 1204 | H | 85.9 | Confident | 82.4 | Confident | 62 Ų | 62 | 45.6 Ų | 45.6 | 29% | 0.287 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61 | -39.5 | 178.4 | -176.6 | 58.3 | 0 | 0 | 0 | 111 | E1200 L1207 S1208 V1240 T1243 | E1200-H1204 WeakPolarHBondContact O-CB 3.37Å; E1200-H1204 PolarHBondContact O-N 3Å; H1204-L1207 PolarHBondContact O-N 3.31Å; H1204-S1208 WeakPolarHBondContact O-CB 3.45Å; H1204-S1208 PolarHBondContact O-N 3Å; H1204-S1208 PolarHBondContact O-OG 3.15Å; H1204-S1208 VanDerWaalsContact O-OG 3.12Å; H1204-V1240 HydrophobicContact CB-CG2 4.15Å; H1204-T1243 PolarHBondContact CE1-OG1 3.02Å; H1204-T1243 PolarHBondContact ND1-OG1 2.72Å |
| 1205 | S | 85.3 | Confident | 82.6 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -35.4 | 178.8 | -55.7 | 0 | 0 | 0 | 0 | 113.6 | Q1163 Q1201 L1202 R1203 S1208 L1209 | Q1163-S1205 WeakPolarHBondContact CG-OG 3.43Å; Q1163-S1205 PolarHBondContact NE2-OG 3.29Å; Q1201-S1205 WeakPolarHBondContact O-CB 3.32Å; Q1201-S1205 PolarHBondContact O-N 2.87Å; Q1201-S1205 PolarHBondContact O-OG 3.47Å; L1202-S1205 PolarHBondContact O-N 2.82Å; R1203-S1205 VanDerWaalsContact C-N 3.27Å; R1203-S1205 PolarHBondContact O-N 3.11Å; S1205-S1208 WeakPolarHBondContact CA-OG 3.32Å; S1205-S1208 PolarHBondContact O-OG 3.02Å; S1205-L1209 WeakPolarHBondContact O-CB 3.36Å; S1205-L1209 PolarHBondContact O-N 3.42Å |
| 1206 | L | 87.8 | Confident | 83 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75.9 | -40.2 | 175.2 | -73.5 | 168.7 | 0 | 0 | 0 | 112.1 | F1156 V1162 V1193 V1194 L1202 R1203 L1209 L1210 | F1156-L1206 HydrophobicContact CE1-CD1 4.37Å; F1156-L1206 HydrophobicContact CE2-CD2 4.45Å; F1156-L1206 HydrophobicContact CZ-CD1 4.26Å; F1156-L1206 HydrophobicContact CZ-CD2 4.2Å; V1162-L1206 HydrophobicContact CG1-CD2 3.55Å; V1162-L1206 HydrophobicContact CG1-CG 3.91Å; V1162-L1206 HydrophobicContact CG2-CD2 4.35Å; V1193-L1206 HydrophobicContact CB-CD1 4.27Å; V1193-L1206 HydrophobicContact CG1-CD1 3.47Å; V1193-L1206 VanDerWaalsContact CG1-CD1 3.47Å; V1194-L1206 HydrophobicContact CG2-CB 4.01Å; V1194-L1206 HydrophobicContact CG2-CD1 3.57Å; V1194-L1206 HydrophobicContact CG2-CG 4.43Å; L1202-L1206 HydrophobicContact CD1-CD1 4.5Å; L1202-L1206 HydrophobicContact CG-CD1 4.29Å; L1202-L1206 PolarHBondContact O-N 2.85Å; R1203-L1206 PolarHBondContact O-N 2.89Å; L1206-L1209 WeakPolarHBondContact O-CB 3.49Å; L1206-L1209 PolarHBondContact O-N 2.91Å; L1206-L1210 PolarHBondContact O-N 3.3Å |
| 1207 | L | 89 | Confident | 83.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.2 | -35 | 177.4 | -72.7 | 166.7 | 0 | 0 | 0 | 112 | V1194 R1203 H1204 L1209 L1210 L1211 L1229 V1240 T1243 I1244 | V1194-L1207 HydrophobicContact CG1-CD1 4.48Å; V1194-L1207 HydrophobicContact CG1-CD2 4.03Å; V1194-L1207 HydrophobicContact CG1-CG 4.19Å; R1203-L1207 WeakPolarHBondContact O-CB 2.9Å; R1203-L1207 WeakPolarHBondContact O-CG 3.2Å; R1203-L1207 PolarHBondContact O-N 3.12Å; H1204-L1207 PolarHBondContact O-N 3.31Å; L1207-L1209 VanDerWaalsContact C-N 3.28Å; L1207-L1210 HydrophobicContact CD2-CD1 4.38Å; L1207-L1210 PolarHBondContact O-N 2.92Å; L1207-L1211 WeakPolarHBondContact O-CB 3.43Å; L1207-L1211 PolarHBondContact O-N 3.45Å; L1207-L1229 HydrophobicContact CD2-CD2 4.1Å; L1207-V1240 HydrophobicContact CD1-CG1 3.57Å; L1207-T1243 HydrophobicContact CB-CG2 4.33Å; L1207-I1244 HydrophobicContact CD1-CD1 4.03Å; L1207-I1244 HydrophobicContact CD1-CG1 4.02Å; L1207-I1244 HydrophobicContact CD2-CG1 4.2Å |
| 1208 | S | 87.7 | Confident | 83.5 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 170.9 | 69.3 | 0 | 0 | 0 | 0 | 110.5 | S1166 H1204 S1205 L1210 L1211 V1212 | S1166-S1208 VanDerWaalsContact OG-C 3.31Å; S1166-S1208 PolarHBondContact OG-OG 2.98Å; S1166-S1208 VanDerWaalsContact OG-OG 3.11Å; H1204-S1208 WeakPolarHBondContact O-CB 3.45Å; H1204-S1208 PolarHBondContact O-N 3Å; H1204-S1208 PolarHBondContact O-OG 3.15Å; H1204-S1208 VanDerWaalsContact O-OG 3.12Å; S1205-S1208 WeakPolarHBondContact CA-OG 3.32Å; S1205-S1208 PolarHBondContact O-OG 3.02Å; S1208-L1210 PolarHBondContact O-N 3.2Å; S1208-L1211 PolarHBondContact O-N 3.21Å; S1208-V1212 WeakPolarHBondContact O-CB 3.46Å; S1208-V1212 WeakPolarHBondContact O-CG2 3.41Å; S1208-V1212 PolarHBondContact O-N 3.34Å |
| 1209 | L | 88 | Confident | 83.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 174.1 | 169.2 | 60.3 | 0 | 0 | 0 | 111.3 | V1162 V1165 S1166 V1169 L1180 V1184 S1205 L1206 L1207 C1213 | V1162-L1209 HydrophobicContact CG1-CD2 4.42Å; V1165-L1209 HydrophobicContact CB-CD2 4.49Å; V1165-L1209 HydrophobicContact CG1-CD1 3.91Å; V1165-L1209 HydrophobicContact CG1-CD2 4.04Å; S1166-L1209 VanDerWaalsContact CA-CD1 3.49Å; S1166-L1209 VanDerWaalsContact OG-CA 3.25Å; S1166-L1209 WeakPolarHBondContact OG-CA 3.47Å; S1166-L1209 PolarHBondContact OG-N 2.94Å; S1166-L1209 VanDerWaalsContact OG-N 3.11Å; V1169-L1209 HydrophobicContact CB-CD1 4.07Å; V1169-L1209 HydrophobicContact CG2-CD1 3.59Å; L1180-L1209 HydrophobicContact CD2-CD1 3.84Å; L1180-L1209 HydrophobicContact CD2-CD2 4.07Å; L1180-L1209 HydrophobicContact CD2-CG 4.06Å; V1184-L1209 HydrophobicContact CG2-CD2 4.13Å; S1205-L1209 WeakPolarHBondContact O-CB 3.36Å; S1205-L1209 PolarHBondContact O-N 3.42Å; L1206-L1209 WeakPolarHBondContact O-CB 3.49Å; L1206-L1209 PolarHBondContact O-N 2.91Å; L1207-L1209 VanDerWaalsContact C-N 3.28Å; L1209-C1213 PolarHBondContact O-N 3.16Å; L1209-C1213 PolarHBondContact O-SG 3.14Å |
| 1210 | L | 88.3 | Confident | 84 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.5 | -44.5 | 176.9 | -70.6 | 174.5 | 0 | 0 | 0 | 113.4 | V1181 V1184 F1185 F1190 L1206 L1207 S1208 V1212 C1213 C1214 L1247 | V1181-L1210 HydrophobicContact CG2-CD2 4.42Å; V1184-L1210 HydrophobicContact CG1-CD2 4.27Å; F1185-L1210 HydrophobicContact CD2-CD2 4.44Å; F1185-L1210 HydrophobicContact CE2-CD1 4.35Å; F1185-L1210 HydrophobicContact CE2-CD2 3.88Å; F1185-L1210 HydrophobicContact CZ-CD1 4Å; F1185-L1210 HydrophobicContact CZ-CD2 4.36Å; F1190-L1210 HydrophobicContact CE2-CD1 4.21Å; L1206-L1210 PolarHBondContact O-N 3.3Å; L1207-L1210 HydrophobicContact CD2-CD1 4.38Å; L1207-L1210 PolarHBondContact O-N 2.92Å; S1208-L1210 PolarHBondContact O-N 3.2Å; L1210-V1212 VanDerWaalsContact C-N 3.25Å; L1210-V1212 PolarHBondContact O-N 3.16Å; L1210-C1213 WeakPolarHBondContact O-CB 3.16Å; L1210-C1213 PolarHBondContact O-N 2.99Å; L1210-C1214 PolarHBondContact O-N 3.34Å; L1210-C1214 PolarHBondContact O-SG 3.27Å; L1210-L1247 HydrophobicContact CB-CD1 4.39Å |
| 1211 | L | 87.6 | Confident | 84 | Confident | 14 Ų | 14 | 33.1 Ų | 33.1 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.2 | -48.8 | 175.5 | 174.7 | 60 | 0 | 0 | 0 | 110.5 | L1207 S1208 C1214 E1215 T1243 K1246 L1247 | L1207-L1211 WeakPolarHBondContact O-CB 3.43Å; L1207-L1211 PolarHBondContact O-N 3.45Å; S1208-L1211 PolarHBondContact O-N 3.21Å; L1211-C1214 PolarHBondContact O-N 3.45Å; L1211-E1215 HydrophobicContact CD1-CG 4.12Å; L1211-E1215 HydrophobicContact CG-CG 4.44Å; L1211-E1215 WeakPolarHBondContact O-CB 3.44Å; L1211-E1215 WeakPolarHBondContact O-CG 3.35Å; L1211-E1215 PolarHBondContact O-N 3.25Å; L1211-T1243 HydrophobicContact CB-CG2 4.11Å; L1211-T1243 HydrophobicContact CD2-CG2 3.77Å; L1211-K1246 HydrophobicContact CD1-CB 3.98Å; L1211-K1246 HydrophobicContact CD2-CB 3.98Å; L1211-K1246 HydrophobicContact CD2-CD 4.11Å; L1211-L1247 VanDerWaalsContact CA-CD2 3.47Å; L1211-L1247 HydrophobicContact CB-CD1 4.16Å; L1211-L1247 HydrophobicContact CB-CD2 4.19Å; L1211-L1247 HydrophobicContact CB-CG 3.79Å; L1211-L1247 HydrophobicContact CD1-CB 4.29Å; L1211-L1247 HydrophobicContact CD1-CD2 4.05Å; L1211-L1247 HydrophobicContact CD1-CG 3.71Å; L1211-L1247 HydrophobicContact CG-CG 4.32Å |
| 1212 | V | 87.8 | Confident | 84.1 | Confident | 22 Ų | 22 | 30.3 Ų | 30.3 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 177.8 | 160.5 | 0 | 0 | 0 | 0 | 112.6 | S1166 V1169 A1170 S1208 L1210 C1214 N1216 | S1166-V1212 WeakPolarHBondContact O-CG1 3.29Å; V1169-V1212 HydrophobicContact CB-CG1 3.87Å; V1169-V1212 HydrophobicContact CG1-CG1 3.81Å; A1170-V1212 HydrophobicContact CB-CB 4.37Å; A1170-V1212 HydrophobicContact CB-CG1 3.39Å; A1170-V1212 HydrophobicContact CB-CG2 4.04Å; S1208-V1212 WeakPolarHBondContact O-CB 3.46Å; S1208-V1212 WeakPolarHBondContact O-CG2 3.41Å; S1208-V1212 PolarHBondContact O-N 3.34Å; L1210-V1212 VanDerWaalsContact C-N 3.25Å; L1210-V1212 PolarHBondContact O-N 3.16Å; V1212-C1214 VanDerWaalsContact C-N 3.3Å; V1212-C1214 PolarHBondContact O-N 2.76Å; V1212-N1216 WeakPolarHBondContact O-CB 3.29Å; V1212-N1216 PolarHBondContact O-N 3.34Å |
| 1213 | C | 85.4 | Confident | 84 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.7 | -47.6 | 174.3 | -69.8 | 0 | 0 | 0 | 0 | 111 | V1169 V1181 L1209 L1210 N1216 D1217 L1220 | V1169-C1213 HydrophobicContact CG1-CB 4.15Å; V1169-C1213 VanDerWaalsContact CG1-SG 3.5Å; V1181-C1213 HydrophobicContact CG2-CB 3.92Å; L1209-C1213 PolarHBondContact O-N 3.16Å; L1209-C1213 PolarHBondContact O-SG 3.14Å; L1210-C1213 WeakPolarHBondContact O-CB 3.16Å; L1210-C1213 PolarHBondContact O-N 2.99Å; C1213-N1216 PolarHBondContact O-N 2.82Å; C1213-D1217 PolarHBondContact O-N 3.21Å; C1213-D1217 VanDerWaalsContact O-N 3.11Å; C1213-L1220 HydrophobicContact CB-CD1 4.13Å |
| 1214 | C | 84.5 | Confident | 83.7 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.3 | -35.8 | -174.9 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | L1210 L1211 V1212 N1216 H1218 M1221 L1247 L1250 | L1210-C1214 PolarHBondContact O-N 3.34Å; L1210-C1214 PolarHBondContact O-SG 3.27Å; L1211-C1214 PolarHBondContact O-N 3.45Å; V1212-C1214 VanDerWaalsContact C-N 3.3Å; V1212-C1214 PolarHBondContact O-N 2.76Å; C1214-N1216 PolarHBondContact O-N 2.82Å; C1214-H1218 PolarHBondContact O-CD2 3.25Å; C1214-M1221 HydrophobicContact CB-CE 4.11Å; C1214-M1221 HydrophobicContact CB-CG 3.9Å; C1214-M1221 HydrophobicContact CB-SD 3.79Å; C1214-M1221 VanDerWaalsContact O-CE 3.23Å; C1214-M1221 WeakPolarHBondContact O-CE 3.33Å; C1214-L1247 HydrophobicContact CB-CD2 3.8Å; C1214-L1250 HydrophobicContact CB-CD2 4.18Å; C1214-L1250 WeakPolarHBondContact O-CD2 3.45Å |
| 1215 | E | 83.7 | Confident | 83.6 | Confident | 96 Ų | 96 | 31.3 Ų | 31.3 | 45% | 0.449 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60 | -28 | 171.7 | -80.6 | 179.4 | 167.7 | 0 | 0 | 113 | L1211 L1250 | L1211-E1215 HydrophobicContact CD1-CG 4.12Å; L1211-E1215 HydrophobicContact CG-CG 4.44Å; L1211-E1215 WeakPolarHBondContact O-CB 3.44Å; L1211-E1215 WeakPolarHBondContact O-CG 3.35Å; L1211-E1215 PolarHBondContact O-N 3.25Å; E1215-L1250 HydrophobicContact CB-CD1 3.95Å; E1215-L1250 HydrophobicContact CG-CD1 3.18Å |
| 1216 | N | 82.1 | Confident | 83.6 | Confident | 28 Ų | 28 | 31.3 Ų | 31.3 | 15% | 0.15 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -91.5 | -46.1 | -173.9 | -81.2 | -8.9 | 0 | 0 | 0 | 113.4 | V1169 A1170 K1173 V1212 C1213 C1214 | V1169-N1216 PolarHBondContact O-ND2 3.49Å; A1170-N1216 VanDerWaalsContact C-ND2 3.31Å; A1170-N1216 WeakPolarHBondContact CA-ND2 3.33Å; A1170-N1216 PolarHBondContact O-ND2 3.02Å; K1173-N1216 HydrophobicContact CG-CB 4.29Å; K1173-N1216 WeakPolarHBondContact CG-OD1 2.94Å; K1173-N1216 CarbonylContact O-C 3.1Å; V1212-N1216 WeakPolarHBondContact O-CB 3.29Å; V1212-N1216 PolarHBondContact O-N 3.34Å; C1213-N1216 PolarHBondContact O-N 2.82Å; C1214-N1216 PolarHBondContact O-N 2.82Å |
| 1217 | D | 80 | Confident | 83.4 | Confident | 40 Ų | 40 | 31.5 Ų | 31.5 | 21% | 0.214 | 18% | 0.176 | C | C | . | . | trans | -128.3 | 112.4 | 179.2 | 177.7 | 5.5 | 0 | 0 | 0 | 110.7 | C1213 S1219 L1220 | C1213-D1217 PolarHBondContact O-N 3.21Å; C1213-D1217 VanDerWaalsContact O-N 3.11Å; D1217-S1219 PolarHBondContact O-N 3.26Å; D1217-S1219 WeakPolarHBondContact OD1-CB 3.46Å; D1217-S1219 PolarHBondContact OD1-N 3.15Å; D1217-S1219 PolarHBondContact OD1-OG 3.1Å; D1217-S1219 PolarHBondContact OD2-OG 2.9Å; D1217-S1219 VanDerWaalsContact OD2-OG 3.09Å; D1217-L1220 HydrophobicContact CB-CD1 3.83Å; D1217-L1220 HydrophobicContact CB-CG 3.83Å; D1217-L1220 WeakPolarHBondContact O-CG 3.47Å; D1217-L1220 PolarHBondContact O-N 3.49Å | ||
| 1218 | H | 78.2 | Confident | 83.1 | Confident | 91 Ų | 91 | 32.8 Ų | 32.8 | 42% | 0.421 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -70.6 | -20.5 | -176.5 | -64.8 | 172.6 | 0 | 0 | 0 | 113.8 | C1214 L1220 M1221 I1254 | C1214-H1218 PolarHBondContact O-CD2 3.25Å; H1218-L1220 VanDerWaalsContact C-N 3.27Å; H1218-L1220 PolarHBondContact O-N 3.23Å; H1218-M1221 HydrophobicContact CB-CE 3.9Å; H1218-M1221 PolarHBondContact O-N 3.47Å; H1218-I1254 HydrophobicContact CB-CD1 3.74Å; H1218-I1254 HydrophobicContact CB-CG1 4.3Å; H1218-I1254 HydrophobicContact CB-CG2 4.1Å; H1218-I1254 WeakPolarHBondContact CD2-CD1 3.2Å; H1218-I1254 WeakPolarHBondContact ND1-CG1 3.17Å |
| 1219 | S | 76.4 | Confident | 83.1 | Confident | 98 Ų | 98 | 31.9 Ų | 31.9 | 69% | 0.685 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -73.5 | -17.5 | -179.9 | 71.4 | 0 | 0 | 0 | 0 | 113.8 | D1217 M1221 | D1217-S1219 PolarHBondContact O-N 3.26Å; D1217-S1219 WeakPolarHBondContact OD1-CB 3.46Å; D1217-S1219 PolarHBondContact OD1-N 3.15Å; D1217-S1219 PolarHBondContact OD1-OG 3.1Å; D1217-S1219 PolarHBondContact OD2-OG 2.9Å; D1217-S1219 VanDerWaalsContact OD2-OG 3.09Å; S1219-M1221 PolarHBondContact O-N 3.38Å |
| 1220 | L | 79 | Confident | 83.2 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -74 | -17.2 | 178.8 | -54 | 177.4 | 0 | 0 | 0 | 113.3 | G1177 L1178 V1181 C1213 D1217 H1218 D1222 | G1177-L1220 VanDerWaalsContact C-CD2 3.43Å; L1178-L1220 HydrophobicContact CB-CD2 4.04Å; V1181-L1220 HydrophobicContact CG2-CD1 4.25Å; C1213-L1220 HydrophobicContact CB-CD1 4.13Å; D1217-L1220 HydrophobicContact CB-CD1 3.83Å; D1217-L1220 HydrophobicContact CB-CG 3.83Å; D1217-L1220 WeakPolarHBondContact O-CG 3.47Å; D1217-L1220 PolarHBondContact O-N 3.49Å; H1218-L1220 VanDerWaalsContact C-N 3.27Å; H1218-L1220 PolarHBondContact O-N 3.23Å; L1220-D1222 VanDerWaalsContact C-N 3.34Å; L1220-D1222 PolarHBondContact O-N 3.19Å |
| 1221 | M | 79.2 | Confident | 83.1 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 5% | 0.054 | 18% | 0.182 | C | C | . | . | trans | -79.5 | 89.2 | -176.5 | -75.4 | -179.5 | -89.1 | 0 | 0 | 109.4 | C1214 H1218 S1219 L1250 Y1251 I1254 I1256 | C1214-M1221 HydrophobicContact CB-CE 4.11Å; C1214-M1221 HydrophobicContact CB-CG 3.9Å; C1214-M1221 HydrophobicContact CB-SD 3.79Å; C1214-M1221 VanDerWaalsContact O-CE 3.23Å; C1214-M1221 WeakPolarHBondContact O-CE 3.33Å; H1218-M1221 HydrophobicContact CB-CE 3.9Å; H1218-M1221 PolarHBondContact O-N 3.47Å; S1219-M1221 PolarHBondContact O-N 3.38Å; M1221-L1250 HydrophobicContact CE-CD2 3.36Å; M1221-L1250 HydrophobicContact SD-CD2 3.36Å; M1221-L1250 WeakPolarHBondContact SD-CD2 3.43Å; M1221-Y1251 HydrophobicContact CB-CD1 4.02Å; M1221-Y1251 HydrophobicContact CB-CD2 4.49Å; M1221-Y1251 HydrophobicContact CB-CE1 3.57Å; M1221-Y1251 HydrophobicContact CB-CE2 4.1Å; M1221-Y1251 HydrophobicContact CB-CG 4.47Å; M1221-Y1251 HydrophobicContact CG-CD1 4.33Å; M1221-Y1251 HydrophobicContact CG-CD2 3.92Å; M1221-Y1251 HydrophobicContact CG-CE1 3.88Å; M1221-Y1251 HydrophobicContact CG-CE2 3.43Å; M1221-Y1251 VanDerWaalsContact CG-CE2 3.43Å; M1221-Y1251 HydrophobicContact CG-CG 4.36Å; M1221-Y1251 HydrophobicContact SD-CD1 4.33Å; M1221-Y1251 HydrophobicContact SD-CD2 3.38Å; M1221-Y1251 WeakPolarHBondContact SD-CD2 3.31Å; M1221-Y1251 HydrophobicContact SD-CE1 4.42Å; M1221-Y1251 HydrophobicContact SD-CE2 3.51Å; M1221-Y1251 VanDerWaalsContact SD-CE2 3.51Å; M1221-Y1251 HydrophobicContact SD-CG 3.84Å; M1221-I1254 HydrophobicContact CE-CD1 3.04Å; M1221-I1254 HydrophobicContact SD-CD1 3.82Å; M1221-I1256 HydrophobicContact CB-CD1 3.48Å; M1221-I1256 VanDerWaalsContact CB-CD1 3.48Å; M1221-I1256 VanDerWaalsContact O-CD1 3.27Å; M1221-I1256 WeakPolarHBondContact O-CD1 3.21Å | ||
| 1222 | D | 81.5 | Confident | 83.1 | Confident | 89 Ų | 89 | 31.6 Ų | 31.6 | 48% | 0.476 | 18% | 0.179 | S | C | . | . | trans | -85.1 | 137.2 | 168.7 | -170.8 | 8.6 | 0 | 0 | 0 | 110.3 | L1220 S1224 N1225 | L1220-D1222 VanDerWaalsContact C-N 3.34Å; L1220-D1222 PolarHBondContact O-N 3.19Å; D1222-S1224 PolarHBondContact O-N 3.43Å; D1222-S1224 VanDerWaalsContact O-N 3.1Å; D1222-S1224 PolarHBondContact OD1-N 2.99Å; D1222-S1224 VanDerWaalsContact OD2-CB 3.26Å; D1222-S1224 WeakPolarHBondContact OD2-CB 3.31Å; D1222-S1224 PolarHBondContact OD2-OG 3Å; D1222-N1225 WeakPolarHBondContact O-CB 3.49Å; D1222-N1225 PolarHBondContact O-N 3.21Å | ||
| 1223 | L | 81.2 | Confident | 83.2 | Confident | 54 Ų | 54 | 30.5 Ų | 30.5 | 28% | 0.283 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -26.4 | 173 | -162.5 | 70.6 | 0 | 0 | 0 | 111.7 | N1225 V1226 P1227 I1256 I1260 F1261 | L1223-N1225 VanDerWaalsContact C-N 3.25Å; L1223-N1225 PolarHBondContact O-N 3.41Å; L1223-V1226 PolarHBondContact O-N 3.07Å; L1223-P1227 VanDerWaalsContact O-CD 3.23Å; L1223-P1227 WeakPolarHBondContact O-CD 3.38Å; L1223-I1256 HydrophobicContact CD1-CG2 3.81Å; L1223-I1260 HydrophobicContact CD1-CD1 3.9Å; L1223-I1260 HydrophobicContact CD1-CG1 4.18Å; L1223-I1260 HydrophobicContact CD2-CD1 3.23Å; L1223-I1260 HydrophobicContact CD2-CG1 4.21Å; L1223-I1260 HydrophobicContact CG-CD1 3.69Å; L1223-F1261 HydrophobicContact CD1-CD2 4.34Å; L1223-F1261 HydrophobicContact CD1-CE2 3.45Å; L1223-F1261 VanDerWaalsContact CD1-CE2 3.45Å; L1223-F1261 HydrophobicContact CD1-CZ 4.08Å; L1223-F1261 HydrophobicContact CG-CE2 3.8Å; L1223-F1261 HydrophobicContact CG-CZ 3.89Å |
| 1224 | S | 79 | Confident | 83.3 | Confident | 44 Ų | 44 | 36.1 Ų | 36.1 | 31% | 0.308 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.6 | 176.5 | 74.4 | 0 | 0 | 0 | 0 | 114.7 | D1222 P1227 | D1222-S1224 PolarHBondContact O-N 3.43Å; D1222-S1224 VanDerWaalsContact O-N 3.1Å; D1222-S1224 PolarHBondContact OD1-N 2.99Å; D1222-S1224 VanDerWaalsContact OD2-CB 3.26Å; D1222-S1224 WeakPolarHBondContact OD2-CB 3.31Å; D1222-S1224 PolarHBondContact OD2-OG 3Å; S1224-P1227 WeakPolarHBondContact O-CD 3.2Å |
| 1225 | N | 83.6 | Confident | 83.7 | Confident | 22 Ų | 22 | 35.8 Ų | 35.8 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -29.4 | -178.6 | -65.3 | -33.9 | 0 | 0 | 0 | 113.2 | F1185 D1222 L1223 P1227 A1228 L1229 | F1185-N1225 HydrophobicContact CE1-CB 4.48Å; F1185-N1225 HydrophobicContact CE2-CB 4.13Å; F1185-N1225 HydrophobicContact CZ-CB 3.82Å; D1222-N1225 WeakPolarHBondContact O-CB 3.49Å; D1222-N1225 PolarHBondContact O-N 3.21Å; L1223-N1225 VanDerWaalsContact C-N 3.25Å; L1223-N1225 PolarHBondContact O-N 3.41Å; N1225-P1227 VanDerWaalsContact C-N 3.3Å; N1225-A1228 WeakPolarHBondContact O-CB 3.28Å; N1225-A1228 PolarHBondContact O-N 2.78Å; N1225-L1229 PolarHBondContact O-N 3.22Å |
| 1226 | V | 86.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -52 | -43.8 | -180 | 175.4 | 0 | 0 | 0 | 0 | 112 | L1223 A1228 L1229 L1230 L1248 Y1251 L1258 F1261 | L1223-V1226 PolarHBondContact O-N 3.07Å; V1226-A1228 VanDerWaalsContact C-N 3.35Å; V1226-A1228 PolarHBondContact O-N 3.37Å; V1226-L1229 PolarHBondContact O-N 3.13Å; V1226-L1230 HydrophobicContact CG1-CD1 3.69Å; V1226-L1230 HydrophobicContact CG1-CG 4.22Å; V1226-L1230 PolarHBondContact O-N 3.47Å; V1226-L1248 HydrophobicContact CG1-CD2 4.32Å; V1226-Y1251 HydrophobicContact CG2-CD1 3.56Å; V1226-Y1251 HydrophobicContact CG2-CE1 3.48Å; V1226-Y1251 VanDerWaalsContact CG2-CE1 3.48Å; V1226-Y1251 HydrophobicContact CG2-CG 4.41Å; V1226-L1258 HydrophobicContact CG1-CD2 4.03Å; V1226-L1258 HydrophobicContact CG2-CD2 4.02Å; V1226-F1261 HydrophobicContact CB-CD2 4.28Å; V1226-F1261 HydrophobicContact CB-CE2 3.66Å; V1226-F1261 HydrophobicContact CB-CZ 4.14Å; V1226-F1261 HydrophobicContact CG1-CD2 3.69Å; V1226-F1261 HydrophobicContact CG1-CE2 3.6Å; V1226-F1261 HydrophobicContact CG1-CG 4.42Å; V1226-F1261 HydrophobicContact CG1-CZ 4.29Å; V1226-F1261 HydrophobicContact CG2-CE2 4.16Å |
| 1227 | P | 83 | Confident | 84.4 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -46.9 | -48.8 | 169.2 | -37.7 | 40.2 | 0 | 0 | 0 | 116 | L1223 S1224 N1225 S1231 F1261 F1274 W1277 | L1223-P1227 VanDerWaalsContact O-CD 3.23Å; L1223-P1227 WeakPolarHBondContact O-CD 3.38Å; S1224-P1227 WeakPolarHBondContact O-CD 3.2Å; N1225-P1227 VanDerWaalsContact C-N 3.3Å; P1227-S1231 WeakPolarHBondContact O-CB 3.47Å; P1227-S1231 PolarHBondContact O-N 2.5Å; P1227-S1231 PolarHBondContact O-OG 3.27Å; P1227-F1261 HydrophobicContact CG-CE1 4.19Å; P1227-F1261 HydrophobicContact CG-CZ 4.2Å; P1227-F1274 VanDerWaalsContact CA-CD2 3.41Å; P1227-F1274 VanDerWaalsContact CA-CE2 3.48Å; P1227-F1274 HydrophobicContact CB-CB 3.81Å; P1227-F1274 HydrophobicContact CB-CD1 3.5Å; P1227-F1274 HydrophobicContact CB-CD2 3.74Å; P1227-F1274 HydrophobicContact CB-CE1 4.01Å; P1227-F1274 HydrophobicContact CB-CE2 4.24Å; P1227-F1274 HydrophobicContact CB-CG 3.39Å; P1227-F1274 HydrophobicContact CB-CZ 4.38Å; P1227-F1274 HydrophobicContact CG-CD1 3.58Å; P1227-F1274 HydrophobicContact CG-CE1 3.87Å; P1227-F1274 HydrophobicContact CG-CG 4.03Å; P1227-F1274 WeakPolarHBondContact O-CD2 3.38Å; P1227-F1274 VanDerWaalsContact O-CE2 3.29Å; P1227-F1274 WeakPolarHBondContact O-CE2 3.24Å; P1227-W1277 HydrophobicContact CG-CE3 4.1Å; P1227-W1277 HydrophobicContact CG-CZ3 4.01Å |
| 1228 | A | 83.1 | Confident | 84.8 | Confident | 27 Ų | 27 | 29.3 Ų | 29.3 | 22% | 0.223 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.6 | -37.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1185 N1225 V1226 S1231 S1232 | F1185-A1228 HydrophobicContact CE1-CB 4.08Å; N1225-A1228 WeakPolarHBondContact O-CB 3.28Å; N1225-A1228 PolarHBondContact O-N 2.78Å; V1226-A1228 VanDerWaalsContact C-N 3.35Å; V1226-A1228 PolarHBondContact O-N 3.37Å; A1228-S1231 PolarHBondContact O-N 2.96Å; A1228-S1232 PolarHBondContact O-N 3.02Å |
| 1229 | L | 88.5 | Confident | 85.1 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.4 | -50.9 | 177 | -65.2 | 177.6 | 0 | 0 | 0 | 111.4 | L1207 N1225 V1226 S1231 S1232 Y1233 I1244 L1247 Y1251 | L1207-L1229 HydrophobicContact CD2-CD2 4.1Å; N1225-L1229 PolarHBondContact O-N 3.22Å; V1226-L1229 PolarHBondContact O-N 3.13Å; L1229-S1231 VanDerWaalsContact C-N 3.26Å; L1229-S1231 PolarHBondContact O-N 2.92Å; L1229-S1232 PolarHBondContact O-N 3.26Å; L1229-S1232 PolarHBondContact O-OG 3.18Å; L1229-Y1233 PolarHBondContact O-N 3.29Å; L1229-Y1233 VanDerWaalsContact O-N 3.1Å; L1229-I1244 HydrophobicContact CB-CG2 4.28Å; L1229-L1247 HydrophobicContact CD1-CB 4.44Å; L1229-L1247 HydrophobicContact CD1-CD1 4.32Å; L1229-L1247 HydrophobicContact CD2-CD1 3.98Å; L1229-Y1251 HydrophobicContact CD1-CE2 4.27Å |
| 1230 | L | 88.4 | Confident | 85.7 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.1 | -32.9 | 178.1 | -74.9 | 172.7 | 0 | 0 | 0 | 112.2 | V1226 S1232 Y1233 L1248 L1264 G1267 A1270 F1274 | V1226-L1230 HydrophobicContact CG1-CD1 3.69Å; V1226-L1230 HydrophobicContact CG1-CG 4.22Å; V1226-L1230 PolarHBondContact O-N 3.47Å; L1230-S1232 VanDerWaalsContact C-N 3.27Å; L1230-S1232 PolarHBondContact O-N 2.81Å; L1230-Y1233 PolarHBondContact O-N 3.32Å; L1230-L1248 HydrophobicContact CD2-CD1 3.72Å; L1230-L1248 HydrophobicContact CD2-CD2 4.29Å; L1230-L1248 HydrophobicContact CG-CD2 4.37Å; L1230-L1264 HydrophobicContact CD1-CD2 4.13Å; L1230-G1267 PolarHBondContact O-N 3Å; L1230-A1270 HydrophobicContact CB-CB 4Å; L1230-A1270 WeakPolarHBondContact O-CB 2.96Å; L1230-F1274 HydrophobicContact CB-CE2 3.53Å; L1230-F1274 HydrophobicContact CB-CZ 3.89Å; L1230-F1274 HydrophobicContact CD1-CE2 4.15Å; L1230-F1274 HydrophobicContact CD1-CZ 3.59Å; L1230-F1274 HydrophobicContact CG-CE2 4.49Å; L1230-F1274 HydrophobicContact CG-CZ 4.39Å |
| 1231 | S | 86.7 | Confident | 86.3 | Confident | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.063 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64 | -31.3 | 173.6 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | P1227 A1228 L1229 L1271 F1274 | P1227-S1231 WeakPolarHBondContact O-CB 3.47Å; P1227-S1231 PolarHBondContact O-N 2.5Å; P1227-S1231 PolarHBondContact O-OG 3.27Å; A1228-S1231 PolarHBondContact O-N 2.96Å; L1229-S1231 VanDerWaalsContact C-N 3.26Å; L1229-S1231 PolarHBondContact O-N 2.92Å; S1231-L1271 VanDerWaalsContact OG-CA 3.32Å; S1231-L1271 WeakPolarHBondContact OG-CA 3.05Å; S1231-L1271 PolarHBondContact OG-N 2.63Å; S1231-F1274 WeakPolarHBondContact OG-CD2 3.41Å |
| 1232 | S | 86.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -89.9 | -11.4 | 179 | 71.6 | 0 | 0 | 0 | 0 | 114 | A1228 L1229 L1230 I1244 | A1228-S1232 PolarHBondContact O-N 3.02Å; L1229-S1232 PolarHBondContact O-N 3.26Å; L1229-S1232 PolarHBondContact O-OG 3.18Å; L1230-S1232 VanDerWaalsContact C-N 3.27Å; L1230-S1232 PolarHBondContact O-N 2.81Å; S1232-I1244 WeakPolarHBondContact OG-CD1 3.45Å |
| 1233 | Y | 90.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -88.5 | 135.8 | -174.2 | -173.1 | -126.7 | 0 | 0 | 0 | 112.2 | L1229 L1230 A1235 D1241 I1244 L1245 W1266 G1267 F1331 | L1229-Y1233 PolarHBondContact O-N 3.29Å; L1229-Y1233 VanDerWaalsContact O-N 3.1Å; L1230-Y1233 PolarHBondContact O-N 3.32Å; Y1233-A1235 HydrophobicContact CE1-CB 3.94Å; Y1233-A1235 VanDerWaalsContact CZ-CA 3.48Å; Y1233-D1241 HydrophobicContact CD2-CB 3.84Å; Y1233-D1241 WeakPolarHBondContact CD2-OD1 3.28Å; Y1233-D1241 HydrophobicContact CE2-CB 3.59Å; Y1233-D1241 VanDerWaalsContact CE2-O 3.23Å; Y1233-D1241 WeakPolarHBondContact CE2-O 3.41Å; Y1233-I1244 HydrophobicContact CD2-CB 3.71Å; Y1233-I1244 HydrophobicContact CD2-CD1 4.12Å; Y1233-I1244 HydrophobicContact CD2-CG2 3.73Å; Y1233-I1244 HydrophobicContact CE2-CB 4.32Å; Y1233-I1244 HydrophobicContact CE2-CG2 4.49Å; Y1233-I1244 HydrophobicContact CG-CB 4.39Å; Y1233-I1244 HydrophobicContact CG-CG2 3.91Å; Y1233-L1245 HydrophobicContact CE2-CB 4.22Å; Y1233-W1266 HydrophobicContact CD1-CB 3.73Å; Y1233-W1266 HydrophobicContact CD1-CG 4.36Å; Y1233-W1266 HydrophobicContact CG-CB 4.48Å; Y1233-G1267 WeakPolarHBondContact O-CA 3.49Å; Y1233-G1267 PolarHBondContact O-N 2.91Å; Y1233-F1331 AromaticContact CE1-CD1 3.88Å; Y1233-F1331 HydrophobicContact CE1-CD1 3.88Å; Y1233-F1331 HydrophobicContact CE1-CD2 4.04Å; Y1233-F1331 AromaticContact CE1-CE1 3.87Å; Y1233-F1331 HydrophobicContact CE1-CE1 3.87Å; Y1233-F1331 HydrophobicContact CE1-CE2 4.02Å; Y1233-F1331 AromaticContact CE1-CG 3.96Å; Y1233-F1331 HydrophobicContact CE1-CG 3.96Å; Y1233-F1331 AromaticContact CE1-CZ 3.94Å; Y1233-F1331 HydrophobicContact CE1-CZ 3.94Å; Y1233-F1331 WeakPolarHBondContact OH-CB 3.37Å; Y1233-F1331 WeakPolarHBondContact OH-CG 3.27Å | ||
| 1234 | W | 88.6 | Confident | 87.7 | Confident | 118 Ų | 118 | 20 Ų | 20 | 45% | 0.447 | 11% | 0.112 | S | C | . | . | trans | -116.7 | 10 | 179.3 | -67.8 | 92.2 | 0 | 0 | 0 | 114.8 | T1236 D1241 | W1234-T1236 HydrophobicContact CB-CG2 4.2Å; W1234-T1236 WeakPolarHBondContact O-CG2 3.49Å; W1234-T1236 PolarHBondContact O-N 3.34Å; W1234-D1241 VanDerWaalsContact C-OD2 3.22Å; W1234-D1241 VanDerWaalsContact CA-OD2 3.3Å; W1234-D1241 WeakPolarHBondContact CA-OD2 3.19Å; W1234-D1241 VanDerWaalsContact CB-OD2 3.26Å; W1234-D1241 WeakPolarHBondContact CB-OD2 3.29Å; W1234-D1241 VanDerWaalsContact N-CG 3.34Å; W1234-D1241 PolarHBondContact N-OD1 3.13Å; W1234-D1241 PolarHBondContact N-OD2 2.95Å; W1234-D1241 VanDerWaalsContact N-OD2 3.17Å | ||
| 1235 | A | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 59.7 | 26.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1233 D1241 W1266 Y1327 D1328 F1331 | Y1233-A1235 HydrophobicContact CE1-CB 3.94Å; Y1233-A1235 VanDerWaalsContact CZ-CA 3.48Å; A1235-D1241 PolarHBondContact N-OD2 3.33Å; A1235-W1266 HydrophobicContact CB-CD2 3.92Å; A1235-W1266 HydrophobicContact CB-CG 4.06Å; A1235-W1266 HydrophobicContact CB-CZ2 4.12Å; A1235-Y1327 HydrophobicContact CB-CD1 4.04Å; A1235-Y1327 HydrophobicContact CB-CE1 4.14Å; A1235-Y1327 WeakPolarHBondContact O-CA 3.35Å; A1235-Y1327 WeakPolarHBondContact O-CD1 3.31Å; A1235-D1328 PolarHBondContact O-N 3.19Å; A1235-F1331 HydrophobicContact CB-CD1 3.71Å; A1235-F1331 HydrophobicContact CB-CE1 3.81Å |
| 1236 | T | 91.9 | Very high | 88.7 | Confident | 12 Ų | 12 | 20.4 Ų | 20.4 | 7% | 0.074 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 166.5 | -178.1 | 70.7 | 0 | 0 | 0 | 0 | 114 | W1234 G1238 D1241 K1301 S1324 L1326 | W1234-T1236 HydrophobicContact CB-CG2 4.2Å; W1234-T1236 WeakPolarHBondContact O-CG2 3.49Å; W1234-T1236 PolarHBondContact O-N 3.34Å; T1236-G1238 PolarHBondContact O-N 3.22Å; T1236-G1238 PolarHBondContact OG1-N 3.06Å; T1236-D1241 WeakPolarHBondContact CA-OD2 3.42Å; T1236-D1241 WeakPolarHBondContact CB-OD2 3.39Å; T1236-D1241 PolarHBondContact N-OD2 3.14Å; T1236-D1241 WeakPolarHBondContact O-CB 3.33Å; T1236-D1241 PolarHBondContact OG1-OD2 2.73Å; T1236-K1301 HydrophobicContact CG2-CD 4.28Å; T1236-S1324 WeakPolarHBondContact CB-O 3.29Å; T1236-S1324 PolarHBondContact OG1-O 3.24Å; T1236-L1326 CarbonylContact C-O 3.51Å; T1236-L1326 WeakPolarHBondContact CA-O 3.09Å; T1236-L1326 WeakPolarHBondContact CB-O 3.49Å |
| 1237 | L | 89.4 | Confident | 88.9 | Confident | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 6 | 170.1 | -74 | 171.2 | 0 | 0 | 0 | 113.3 | P1310 L1313 Y1321 A1323 L1326 D1328 | L1237-P1310 HydrophobicContact CD1-CB 4.09Å; L1237-P1310 HydrophobicContact CD1-CG 4.21Å; L1237-L1313 HydrophobicContact CD2-CD1 4.01Å; L1237-L1313 HydrophobicContact CD2-CD2 4.33Å; L1237-Y1321 HydrophobicContact CD1-CD1 3.74Å; L1237-Y1321 HydrophobicContact CD1-CE1 4.26Å; L1237-Y1321 HydrophobicContact CD1-CG 4.3Å; L1237-A1323 CarbonylContact C-O 3.57Å; L1237-A1323 HydrophobicContact CB-CB 4.43Å; L1237-A1323 WeakPolarHBondContact CB-O 3.41Å; L1237-A1323 HydrophobicContact CD1-CB 4.39Å; L1237-L1326 HydrophobicContact CD1-CB 4.34Å; L1237-L1326 PolarHBondContact N-O 3.11Å; L1237-D1328 HydrophobicContact CD2-CB 3.89Å; L1237-D1328 VanDerWaalsContact CD2-CG 3.44Å; L1237-D1328 HydrophobicContact CG-CB 4.12Å |
| 1238 | G | 87.8 | Confident | 89.2 | Confident | 11 Ų | 11 | 20.4 Ų | 20.4 | 11% | 0.113 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -60.6 | 154.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1236 V1240 D1241 A1242 | T1236-G1238 PolarHBondContact O-N 3.22Å; T1236-G1238 PolarHBondContact OG1-N 3.06Å; G1238-V1240 VanDerWaalsContact C-N 3.27Å; G1238-V1240 PolarHBondContact O-N 3.34Å; G1238-D1241 PolarHBondContact O-N 3.33Å; G1238-A1242 VanDerWaalsContact O-CB 3.29Å; G1238-A1242 WeakPolarHBondContact O-CB 3.32Å; G1238-A1242 PolarHBondContact O-N 3.04Å |
| 1239 | L | 85.9 | Confident | 89.5 | Confident | 117 Ų | 117 | 21 Ų | 21 | 61% | 0.613 | 11% | 0.112 | S | C | * | . | H | α-helix | trans | -59.9 | -37.8 | -177.2 | -66.6 | 174.5 | 0 | 0 | 0 | 112.7 | T1243 | L1239-T1243 WeakPolarHBondContact O-CB 3.41Å; L1239-T1243 PolarHBondContact O-N 2.74Å; L1239-T1243 PolarHBondContact O-OG1 2.87Å |
| 1240 | V | 88.4 | Confident | 89.5 | Confident | 15 Ų | 15 | 21.9 Ų | 21.9 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.3 | -52.7 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | R1203 H1204 L1207 G1238 T1243 I1244 | R1203-V1240 HydrophobicContact CB-CG2 4.44Å; H1204-V1240 HydrophobicContact CB-CG2 4.15Å; L1207-V1240 HydrophobicContact CD1-CG1 3.57Å; G1238-V1240 VanDerWaalsContact C-N 3.27Å; G1238-V1240 PolarHBondContact O-N 3.34Å; V1240-T1243 WeakPolarHBondContact O-CB 3.13Å; V1240-T1243 PolarHBondContact O-N 3.08Å; V1240-T1243 VanDerWaalsContact O-N 3.1Å; V1240-I1244 HydrophobicContact CG1-CD1 4.02Å; V1240-I1244 WeakPolarHBondContact O-CG1 3.36Å; V1240-I1244 PolarHBondContact O-N 3.04Å |
| 1241 | D | 90.4 | Very high | 89.5 | Confident | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.032 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.2 | -42.4 | -178.8 | -82.9 | -3.9 | 0 | 0 | 0 | 112.2 | Y1233 W1234 A1235 T1236 G1238 T1243 I1244 L1245 | Y1233-D1241 HydrophobicContact CD2-CB 3.84Å; Y1233-D1241 WeakPolarHBondContact CD2-OD1 3.28Å; Y1233-D1241 HydrophobicContact CE2-CB 3.59Å; Y1233-D1241 VanDerWaalsContact CE2-O 3.23Å; Y1233-D1241 WeakPolarHBondContact CE2-O 3.41Å; W1234-D1241 VanDerWaalsContact C-OD2 3.22Å; W1234-D1241 VanDerWaalsContact CA-OD2 3.3Å; W1234-D1241 WeakPolarHBondContact CA-OD2 3.19Å; W1234-D1241 VanDerWaalsContact CB-OD2 3.26Å; W1234-D1241 WeakPolarHBondContact CB-OD2 3.29Å; W1234-D1241 VanDerWaalsContact N-CG 3.34Å; W1234-D1241 PolarHBondContact N-OD1 3.13Å; W1234-D1241 PolarHBondContact N-OD2 2.95Å; W1234-D1241 VanDerWaalsContact N-OD2 3.17Å; A1235-D1241 PolarHBondContact N-OD2 3.33Å; T1236-D1241 WeakPolarHBondContact CA-OD2 3.42Å; T1236-D1241 WeakPolarHBondContact CB-OD2 3.39Å; T1236-D1241 PolarHBondContact N-OD2 3.14Å; T1236-D1241 WeakPolarHBondContact O-CB 3.33Å; T1236-D1241 PolarHBondContact OG1-OD2 2.73Å; G1238-D1241 PolarHBondContact O-N 3.33Å; D1241-T1243 PolarHBondContact O-N 3.31Å; D1241-I1244 PolarHBondContact O-N 3.3Å; D1241-I1244 VanDerWaalsContact O-N 3.08Å; D1241-L1245 WeakPolarHBondContact O-CB 3.28Å; D1241-L1245 PolarHBondContact O-N 2.92Å |
| 1242 | A | 89.6 | Confident | 89.5 | Confident | 14 Ų | 14 | 25.4 Ų | 25.4 | 12% | 0.116 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.9 | -31 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | G1238 K1246 | G1238-A1242 VanDerWaalsContact O-CB 3.29Å; G1238-A1242 WeakPolarHBondContact O-CB 3.32Å; G1238-A1242 PolarHBondContact O-N 3.04Å; A1242-K1246 WeakPolarHBondContact O-CD 3.38Å; A1242-K1246 VanDerWaalsContact O-CG 3.24Å; A1242-K1246 WeakPolarHBondContact O-CG 3.46Å; A1242-K1246 PolarHBondContact O-N 3.02Å |
| 1243 | T | 90.3 | Very high | 89.4 | Confident | 9 Ų | 9 | 29.7 Ų | 29.7 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.2 | -41.9 | 174.4 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | H1204 L1207 L1211 L1239 V1240 D1241 K1246 L1247 | H1204-T1243 PolarHBondContact CE1-OG1 3.02Å; H1204-T1243 PolarHBondContact ND1-OG1 2.72Å; L1207-T1243 HydrophobicContact CB-CG2 4.33Å; L1211-T1243 HydrophobicContact CB-CG2 4.11Å; L1211-T1243 HydrophobicContact CD2-CG2 3.77Å; L1239-T1243 WeakPolarHBondContact O-CB 3.41Å; L1239-T1243 PolarHBondContact O-N 2.74Å; L1239-T1243 PolarHBondContact O-OG1 2.87Å; V1240-T1243 WeakPolarHBondContact O-CB 3.13Å; V1240-T1243 PolarHBondContact O-N 3.08Å; V1240-T1243 VanDerWaalsContact O-N 3.1Å; D1241-T1243 PolarHBondContact O-N 3.31Å; T1243-K1246 WeakPolarHBondContact O-CB 3.49Å; T1243-K1246 PolarHBondContact O-N 2.92Å; T1243-L1247 PolarHBondContact O-N 3.4Å |
| 1244 | I | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.4 | -40 | 175.8 | -62.6 | 163.2 | 0 | 0 | 0 | 111.1 | L1207 L1229 S1232 Y1233 V1240 D1241 K1246 L1247 L1248 | L1207-I1244 HydrophobicContact CD1-CD1 4.03Å; L1207-I1244 HydrophobicContact CD1-CG1 4.02Å; L1207-I1244 HydrophobicContact CD2-CG1 4.2Å; L1229-I1244 HydrophobicContact CB-CG2 4.28Å; S1232-I1244 WeakPolarHBondContact OG-CD1 3.45Å; Y1233-I1244 HydrophobicContact CD2-CB 3.71Å; Y1233-I1244 HydrophobicContact CD2-CD1 4.12Å; Y1233-I1244 HydrophobicContact CD2-CG2 3.73Å; Y1233-I1244 HydrophobicContact CE2-CB 4.32Å; Y1233-I1244 HydrophobicContact CE2-CG2 4.49Å; Y1233-I1244 HydrophobicContact CG-CB 4.39Å; Y1233-I1244 HydrophobicContact CG-CG2 3.91Å; V1240-I1244 HydrophobicContact CG1-CD1 4.02Å; V1240-I1244 WeakPolarHBondContact O-CG1 3.36Å; V1240-I1244 PolarHBondContact O-N 3.04Å; D1241-I1244 PolarHBondContact O-N 3.3Å; D1241-I1244 VanDerWaalsContact O-N 3.08Å; I1244-K1246 VanDerWaalsContact C-N 3.32Å; I1244-K1246 PolarHBondContact O-N 3.48Å; I1244-L1247 WeakPolarHBondContact O-CA 3.43Å; I1244-L1247 VanDerWaalsContact O-CB 3.22Å; I1244-L1247 WeakPolarHBondContact O-CB 3.16Å; I1244-L1247 PolarHBondContact O-N 2.76Å; I1244-L1247 VanDerWaalsContact O-N 3.13Å; I1244-L1248 HydrophobicContact CG2-CD1 4.19Å; I1244-L1248 HydrophobicContact CG2-CG 4.36Å; I1244-L1248 WeakPolarHBondContact O-CG 3.44Å; I1244-L1248 PolarHBondContact O-N 3.14Å |
| 1245 | L | 92 | Very high | 88.5 | Confident | 15 Ų | 15 | 29.8 Ų | 29.8 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 177 | -176.4 | 58.2 | 0 | 0 | 0 | 111.8 | Y1233 D1241 L1247 L1248 A1249 V1317 R1330 F1331 | Y1233-L1245 HydrophobicContact CE2-CB 4.22Å; D1241-L1245 WeakPolarHBondContact O-CB 3.28Å; D1241-L1245 PolarHBondContact O-N 2.92Å; L1245-L1247 VanDerWaalsContact C-N 3.32Å; L1245-L1248 PolarHBondContact O-N 3.25Å; L1245-A1249 WeakPolarHBondContact O-CB 3.31Å; L1245-A1249 PolarHBondContact O-N 2.79Å; L1245-V1317 HydrophobicContact CB-CG1 4.34Å; L1245-V1317 HydrophobicContact CD2-CG1 3.68Å; L1245-V1317 HydrophobicContact CG-CG1 3.78Å; L1245-R1330 HydrophobicContact CD2-CB 4.22Å; L1245-F1331 HydrophobicContact CD1-CB 3.68Å; L1245-F1331 HydrophobicContact CD1-CD2 3.63Å; L1245-F1331 HydrophobicContact CD1-CG 4.03Å; L1245-F1331 HydrophobicContact CD2-CB 3.78Å; L1245-F1331 HydrophobicContact CG-CB 4.37Å |
| 1246 | K | 91.4 | Very high | 88 | Confident | 58 Ų | 58 | 31.5 Ų | 31.5 | 25% | 0.252 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60 | -43.3 | 171.6 | -73.2 | 168.1 | -175.2 | -179.1 | 0 | 111.7 | L1211 A1242 T1243 I1244 A1249 L1250 V1317 | L1211-K1246 HydrophobicContact CD1-CB 3.98Å; L1211-K1246 HydrophobicContact CD2-CB 3.98Å; L1211-K1246 HydrophobicContact CD2-CD 4.11Å; A1242-K1246 WeakPolarHBondContact O-CD 3.38Å; A1242-K1246 VanDerWaalsContact O-CG 3.24Å; A1242-K1246 WeakPolarHBondContact O-CG 3.46Å; A1242-K1246 PolarHBondContact O-N 3.02Å; T1243-K1246 WeakPolarHBondContact O-CB 3.49Å; T1243-K1246 PolarHBondContact O-N 2.92Å; I1244-K1246 VanDerWaalsContact C-N 3.32Å; I1244-K1246 PolarHBondContact O-N 3.48Å; K1246-A1249 PolarHBondContact O-N 3.49Å; K1246-L1250 WeakPolarHBondContact O-CB 3.3Å; K1246-L1250 PolarHBondContact O-N 3.05Å; K1246-V1317 WeakPolarHBondContact CE-O 3.34Å; K1246-V1317 HydrophobicContact CG-CB 4.11Å; K1246-V1317 HydrophobicContact CG-CG1 4.09Å |
| 1247 | L | 90.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.8 | -50.5 | 174.6 | -96.8 | 167.5 | 0 | 0 | 0 | 110.9 | L1210 L1211 C1214 L1229 T1243 I1244 L1245 L1250 Y1251 | L1210-L1247 HydrophobicContact CB-CD1 4.39Å; L1211-L1247 VanDerWaalsContact CA-CD2 3.47Å; L1211-L1247 HydrophobicContact CB-CD1 4.16Å; L1211-L1247 HydrophobicContact CB-CD2 4.19Å; L1211-L1247 HydrophobicContact CB-CG 3.79Å; L1211-L1247 HydrophobicContact CD1-CB 4.29Å; L1211-L1247 HydrophobicContact CD1-CD2 4.05Å; L1211-L1247 HydrophobicContact CD1-CG 3.71Å; L1211-L1247 HydrophobicContact CG-CG 4.32Å; C1214-L1247 HydrophobicContact CB-CD2 3.8Å; L1229-L1247 HydrophobicContact CD1-CB 4.44Å; L1229-L1247 HydrophobicContact CD1-CD1 4.32Å; L1229-L1247 HydrophobicContact CD2-CD1 3.98Å; T1243-L1247 PolarHBondContact O-N 3.4Å; I1244-L1247 WeakPolarHBondContact O-CA 3.43Å; I1244-L1247 VanDerWaalsContact O-CB 3.22Å; I1244-L1247 WeakPolarHBondContact O-CB 3.16Å; I1244-L1247 PolarHBondContact O-N 2.76Å; I1244-L1247 VanDerWaalsContact O-N 3.13Å; L1245-L1247 VanDerWaalsContact C-N 3.32Å; L1247-L1250 VanDerWaalsContact O-CB 3.3Å; L1247-L1250 WeakPolarHBondContact O-CB 3.19Å; L1247-L1250 PolarHBondContact O-N 3.12Å; L1247-L1250 VanDerWaalsContact O-N 3.12Å; L1247-Y1251 HydrophobicContact CD2-CE2 4.34Å; L1247-Y1251 VanDerWaalsContact O-CD2 3.28Å; L1247-Y1251 WeakPolarHBondContact O-CD2 3.47Å; L1247-Y1251 PolarHBondContact O-N 3.45Å |
| 1248 | L | 90.6 | Very high | 86.7 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | -179.7 | -67.3 | 172.1 | 0 | 0 | 0 | 112.4 | V1226 L1230 I1244 L1245 L1250 Y1251 E1252 L1258 | V1226-L1248 HydrophobicContact CG1-CD2 4.32Å; L1230-L1248 HydrophobicContact CD2-CD1 3.72Å; L1230-L1248 HydrophobicContact CD2-CD2 4.29Å; L1230-L1248 HydrophobicContact CG-CD2 4.37Å; I1244-L1248 HydrophobicContact CG2-CD1 4.19Å; I1244-L1248 HydrophobicContact CG2-CG 4.36Å; I1244-L1248 WeakPolarHBondContact O-CG 3.44Å; I1244-L1248 PolarHBondContact O-N 3.14Å; L1245-L1248 PolarHBondContact O-N 3.25Å; L1248-L1250 PolarHBondContact O-N 2.88Å; L1248-Y1251 WeakPolarHBondContact O-CB 3.3Å; L1248-Y1251 PolarHBondContact O-N 3.4Å; L1248-E1252 PolarHBondContact O-N 2.98Å; L1248-E1252 VanDerWaalsContact O-N 3.11Å; L1248-L1258 HydrophobicContact CD2-CD1 4.41Å |
| 1249 | A | 88.7 | Confident | 86.2 | Confident | 40 Ų | 40 | 35.4 Ų | 35.4 | 33% | 0.331 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.9 | -32.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1245 K1246 S1253 | L1245-A1249 WeakPolarHBondContact O-CB 3.31Å; L1245-A1249 PolarHBondContact O-N 2.79Å; K1246-A1249 PolarHBondContact O-N 3.49Å; A1249-S1253 WeakPolarHBondContact O-CB 3.34Å; A1249-S1253 PolarHBondContact O-N 2.71Å |
| 1250 | L | 88.4 | Confident | 85.8 | Confident | 23 Ų | 23 | 32.2 Ų | 32.2 | 12% | 0.12 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.3 | -45.2 | 176.3 | -164.1 | 142.5 | 0 | 0 | 0 | 112.4 | C1214 E1215 M1221 K1246 L1247 L1248 E1252 S1253 I1254 | C1214-L1250 HydrophobicContact CB-CD2 4.18Å; C1214-L1250 WeakPolarHBondContact O-CD2 3.45Å; E1215-L1250 HydrophobicContact CB-CD1 3.95Å; E1215-L1250 HydrophobicContact CG-CD1 3.18Å; M1221-L1250 HydrophobicContact CE-CD2 3.36Å; M1221-L1250 HydrophobicContact SD-CD2 3.36Å; M1221-L1250 WeakPolarHBondContact SD-CD2 3.43Å; K1246-L1250 WeakPolarHBondContact O-CB 3.3Å; K1246-L1250 PolarHBondContact O-N 3.05Å; L1247-L1250 VanDerWaalsContact O-CB 3.3Å; L1247-L1250 WeakPolarHBondContact O-CB 3.19Å; L1247-L1250 PolarHBondContact O-N 3.12Å; L1247-L1250 VanDerWaalsContact O-N 3.12Å; L1248-L1250 PolarHBondContact O-N 2.88Å; L1250-E1252 VanDerWaalsContact C-N 3.26Å; L1250-E1252 PolarHBondContact O-N 3.16Å; L1250-S1253 PolarHBondContact O-N 3.38Å; L1250-S1253 PolarHBondContact O-OG 3.47Å; L1250-I1254 HydrophobicContact CD2-CD1 3.56Å; L1250-I1254 HydrophobicContact CG-CD1 4.39Å; L1250-I1254 WeakPolarHBondContact O-CD1 3.3Å; L1250-I1254 WeakPolarHBondContact O-CG1 3.28Å; L1250-I1254 PolarHBondContact O-N 2.66Å |
| 1251 | Y | 88.7 | Confident | 85.4 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.7 | -45.1 | 172.8 | -87.2 | -114.1 | 0 | 0 | 0 | 111.1 | M1221 V1226 L1229 L1247 L1248 I1254 I1256 | M1221-Y1251 HydrophobicContact CB-CD1 4.02Å; M1221-Y1251 HydrophobicContact CB-CD2 4.49Å; M1221-Y1251 HydrophobicContact CB-CE1 3.57Å; M1221-Y1251 HydrophobicContact CB-CE2 4.1Å; M1221-Y1251 HydrophobicContact CB-CG 4.47Å; M1221-Y1251 HydrophobicContact CG-CD1 4.33Å; M1221-Y1251 HydrophobicContact CG-CD2 3.92Å; M1221-Y1251 HydrophobicContact CG-CE1 3.88Å; M1221-Y1251 HydrophobicContact CG-CE2 3.43Å; M1221-Y1251 VanDerWaalsContact CG-CE2 3.43Å; M1221-Y1251 HydrophobicContact CG-CG 4.36Å; M1221-Y1251 HydrophobicContact SD-CD1 4.33Å; M1221-Y1251 HydrophobicContact SD-CD2 3.38Å; M1221-Y1251 WeakPolarHBondContact SD-CD2 3.31Å; M1221-Y1251 HydrophobicContact SD-CE1 4.42Å; M1221-Y1251 HydrophobicContact SD-CE2 3.51Å; M1221-Y1251 VanDerWaalsContact SD-CE2 3.51Å; M1221-Y1251 HydrophobicContact SD-CG 3.84Å; V1226-Y1251 HydrophobicContact CG2-CD1 3.56Å; V1226-Y1251 HydrophobicContact CG2-CE1 3.48Å; V1226-Y1251 VanDerWaalsContact CG2-CE1 3.48Å; V1226-Y1251 HydrophobicContact CG2-CG 4.41Å; L1229-Y1251 HydrophobicContact CD1-CE2 4.27Å; L1247-Y1251 HydrophobicContact CD2-CE2 4.34Å; L1247-Y1251 VanDerWaalsContact O-CD2 3.28Å; L1247-Y1251 WeakPolarHBondContact O-CD2 3.47Å; L1247-Y1251 PolarHBondContact O-N 3.45Å; L1248-Y1251 WeakPolarHBondContact O-CB 3.3Å; L1248-Y1251 PolarHBondContact O-N 3.4Å; Y1251-I1254 PolarHBondContact O-N 3.31Å; Y1251-I1256 HydrophobicContact CD1-CD1 3.96Å; Y1251-I1256 HydrophobicContact CD1-CG2 4.31Å; Y1251-I1256 HydrophobicContact CE1-CD1 4.43Å; Y1251-I1256 WeakPolarHBondContact O-CB 3.49Å; Y1251-I1256 PolarHBondContact O-N 2.72Å |
| 1252 | E | 86.7 | Confident | 85 | Confident | 81 Ų | 81 | 34.2 Ų | 34.2 | 38% | 0.379 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 178.6 | -68.5 | -172.6 | 142.1 | 0 | 0 | 112.9 | L1248 L1250 I1254 G1255 L1258 Y1262 | L1248-E1252 PolarHBondContact O-N 2.98Å; L1248-E1252 VanDerWaalsContact O-N 3.11Å; L1250-E1252 VanDerWaalsContact C-N 3.26Å; L1250-E1252 PolarHBondContact O-N 3.16Å; E1252-I1254 PolarHBondContact O-N 3.28Å; E1252-I1254 VanDerWaalsContact O-N 3.07Å; E1252-G1255 PolarHBondContact O-N 3.42Å; E1252-L1258 HydrophobicContact CG-CB 4.45Å; E1252-L1258 HydrophobicContact CG-CD1 3.5Å; E1252-L1258 HydrophobicContact CG-CG 3.74Å; E1252-Y1262 PolarHBondContact OE1-OH 3.2Å |
| 1253 | S | 84.8 | Confident | 84.7 | Confident | 91 Ų | 91 | 34.8 Ų | 34.8 | 64% | 0.636 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.9 | -21.9 | -178 | 73.6 | 0 | 0 | 0 | 0 | 114.1 | A1249 L1250 | A1249-S1253 WeakPolarHBondContact O-CB 3.34Å; A1249-S1253 PolarHBondContact O-N 2.71Å; L1250-S1253 PolarHBondContact O-N 3.38Å; L1250-S1253 PolarHBondContact O-OG 3.47Å |
| 1254 | I | 82.5 | Confident | 84.5 | Confident | 57 Ų | 57 | 34.9 Ų | 34.9 | 29% | 0.292 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -12.7 | -177.3 | -66.2 | 160.7 | 0 | 0 | 0 | 112 | H1218 M1221 L1250 Y1251 E1252 | H1218-I1254 HydrophobicContact CB-CD1 3.74Å; H1218-I1254 HydrophobicContact CB-CG1 4.3Å; H1218-I1254 HydrophobicContact CB-CG2 4.1Å; H1218-I1254 WeakPolarHBondContact CD2-CD1 3.2Å; H1218-I1254 WeakPolarHBondContact ND1-CG1 3.17Å; M1221-I1254 HydrophobicContact CE-CD1 3.04Å; M1221-I1254 HydrophobicContact SD-CD1 3.82Å; L1250-I1254 HydrophobicContact CD2-CD1 3.56Å; L1250-I1254 HydrophobicContact CG-CD1 4.39Å; L1250-I1254 WeakPolarHBondContact O-CD1 3.3Å; L1250-I1254 WeakPolarHBondContact O-CG1 3.28Å; L1250-I1254 PolarHBondContact O-N 2.66Å; Y1251-I1254 PolarHBondContact O-N 3.31Å; E1252-I1254 PolarHBondContact O-N 3.28Å; E1252-I1254 VanDerWaalsContact O-N 3.07Å |
| 1255 | G | 78.8 | Confident | 84.3 | Confident | 64 Ų | 64 | 35.1 Ų | 35.1 | 66% | 0.66 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | 8.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | E1252 G1257 | E1252-G1255 PolarHBondContact O-N 3.42Å; G1255-G1257 PolarHBondContact O-N 3.33Å |
| 1256 | I | 79.6 | Confident | 84.3 | Confident | 36 Ų | 36 | 34.7 Ų | 34.7 | 19% | 0.185 | 22% | 0.218 | C | C | . | . | trans | -68.9 | 93.8 | 163 | -58.6 | 172.4 | 0 | 0 | 0 | 106.2 | M1221 L1223 Y1251 L1258 | M1221-I1256 HydrophobicContact CB-CD1 3.48Å; M1221-I1256 VanDerWaalsContact CB-CD1 3.48Å; M1221-I1256 VanDerWaalsContact O-CD1 3.27Å; M1221-I1256 WeakPolarHBondContact O-CD1 3.21Å; L1223-I1256 HydrophobicContact CD1-CG2 3.81Å; Y1251-I1256 HydrophobicContact CD1-CD1 3.96Å; Y1251-I1256 HydrophobicContact CD1-CG2 4.31Å; Y1251-I1256 HydrophobicContact CE1-CD1 4.43Å; Y1251-I1256 WeakPolarHBondContact O-CB 3.49Å; Y1251-I1256 PolarHBondContact O-N 2.72Å; I1256-L1258 PolarHBondContact O-N 3.46Å | ||
| 1257 | G | 72.8 | Confident | 84.1 | Confident | 38 Ų | 38 | 32 Ų | 32 | 39% | 0.392 | 21% | 0.206 | S | C | . | . | trans | -59.9 | 106.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G1255 S1259 | G1255-G1257 PolarHBondContact O-N 3.33Å; G1257-S1259 PolarHBondContact O-N 2.74Å | ||
| 1258 | L | 81.5 | Confident | 83.7 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -65.4 | 3 | 164.8 | -59.4 | -175 | 0 | 0 | 0 | 111.4 | V1226 L1248 E1252 I1256 I1260 F1261 Y1262 L1264 | V1226-L1258 HydrophobicContact CG1-CD2 4.03Å; V1226-L1258 HydrophobicContact CG2-CD2 4.02Å; L1248-L1258 HydrophobicContact CD2-CD1 4.41Å; E1252-L1258 HydrophobicContact CG-CB 4.45Å; E1252-L1258 HydrophobicContact CG-CD1 3.5Å; E1252-L1258 HydrophobicContact CG-CG 3.74Å; I1256-L1258 PolarHBondContact O-N 3.46Å; L1258-I1260 PolarHBondContact O-N 2.98Å; L1258-I1260 VanDerWaalsContact O-N 3.08Å; L1258-F1261 HydrophobicContact CD2-CD2 4.1Å; L1258-F1261 CarbonylContact O-C 3.11Å; L1258-F1261 WeakPolarHBondContact O-CA 3.35Å; L1258-F1261 PolarHBondContact O-N 3.02Å; L1258-Y1262 HydrophobicContact CB-CD2 4.07Å; L1258-Y1262 HydrophobicContact CB-CE2 3.68Å; L1258-Y1262 WeakPolarHBondContact O-CD2 3.33Å; L1258-Y1262 PolarHBondContact O-N 2.69Å; L1258-L1264 HydrophobicContact CB-CD2 4.32Å; L1258-L1264 HydrophobicContact CD1-CD1 4.23Å; L1258-L1264 HydrophobicContact CD1-CD2 4.45Å |
| 1259 | S | 76.8 | Confident | 83.4 | Confident | 70 Ų | 70 | 37.1 Ų | 37.1 | 49% | 0.49 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -49.1 | -32.8 | 176.9 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | G1257 F1261 Y1262 | G1257-S1259 PolarHBondContact O-N 2.74Å; S1259-F1261 VanDerWaalsContact C-N 3.33Å; S1259-Y1262 PolarHBondContact O-N 2.93Å |
| 1260 | I | 77.7 | Confident | 83.3 | Confident | 49 Ų | 49 | 35.2 Ų | 35.2 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -65.8 | -39.3 | 175.1 | 65.1 | 153.7 | 0 | 0 | 0 | 111.2 | L1223 L1258 W1285 | L1223-I1260 HydrophobicContact CD1-CD1 3.9Å; L1223-I1260 HydrophobicContact CD1-CG1 4.18Å; L1223-I1260 HydrophobicContact CD2-CD1 3.23Å; L1223-I1260 HydrophobicContact CD2-CG1 4.21Å; L1223-I1260 HydrophobicContact CG-CD1 3.69Å; L1258-I1260 PolarHBondContact O-N 2.98Å; L1258-I1260 VanDerWaalsContact O-N 3.08Å; I1260-W1285 WeakPolarHBondContact O-CH2 2.79Å; I1260-W1285 WeakPolarHBondContact O-CZ3 3.47Å |
| 1261 | F | 81 | Confident | 82.9 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -12.5 | -179.2 | -57.5 | -60.7 | 0 | 0 | 0 | 112.9 | L1223 V1226 P1227 L1258 S1259 P1263 L1264 F1274 W1285 | L1223-F1261 HydrophobicContact CD1-CD2 4.34Å; L1223-F1261 HydrophobicContact CD1-CE2 3.45Å; L1223-F1261 VanDerWaalsContact CD1-CE2 3.45Å; L1223-F1261 HydrophobicContact CD1-CZ 4.08Å; L1223-F1261 HydrophobicContact CG-CE2 3.8Å; L1223-F1261 HydrophobicContact CG-CZ 3.89Å; V1226-F1261 HydrophobicContact CB-CD2 4.28Å; V1226-F1261 HydrophobicContact CB-CE2 3.66Å; V1226-F1261 HydrophobicContact CB-CZ 4.14Å; V1226-F1261 HydrophobicContact CG1-CD2 3.69Å; V1226-F1261 HydrophobicContact CG1-CE2 3.6Å; V1226-F1261 HydrophobicContact CG1-CG 4.42Å; V1226-F1261 HydrophobicContact CG1-CZ 4.29Å; V1226-F1261 HydrophobicContact CG2-CE2 4.16Å; P1227-F1261 HydrophobicContact CG-CE1 4.19Å; P1227-F1261 HydrophobicContact CG-CZ 4.2Å; L1258-F1261 HydrophobicContact CD2-CD2 4.1Å; L1258-F1261 CarbonylContact O-C 3.11Å; L1258-F1261 WeakPolarHBondContact O-CA 3.35Å; L1258-F1261 PolarHBondContact O-N 3.02Å; S1259-F1261 VanDerWaalsContact C-N 3.33Å; F1261-P1263 CarbonylContact O-C 3.49Å; F1261-L1264 HydrophobicContact CB-CD2 3.69Å; F1261-F1274 AromaticContact CD1-CE1 3.89Å; F1261-F1274 HydrophobicContact CD1-CE1 3.89Å; F1261-F1274 HydrophobicContact CE1-CE1 4.01Å; F1261-W1285 HydrophobicContact CD1-CH2 4.27Å |
| 1262 | Y | 80.9 | Confident | 82.5 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 24% | 0.239 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -69 | 135.3 | 177.6 | -85.9 | -74.9 | 0 | 0 | 0 | 111.1 | E1252 L1258 S1259 L1264 R1338 | E1252-Y1262 PolarHBondContact OE1-OH 3.2Å; L1258-Y1262 HydrophobicContact CB-CD2 4.07Å; L1258-Y1262 HydrophobicContact CB-CE2 3.68Å; L1258-Y1262 WeakPolarHBondContact O-CD2 3.33Å; L1258-Y1262 PolarHBondContact O-N 2.69Å; S1259-Y1262 PolarHBondContact O-N 2.93Å; Y1262-L1264 HydrophobicContact CD1-CD1 4.4Å; Y1262-L1264 HydrophobicContact CD1-CG 3.87Å; Y1262-L1264 HydrophobicContact CE1-CD1 3.68Å; Y1262-L1264 HydrophobicContact CE1-CG 3.66Å; Y1262-L1264 HydrophobicContact CE2-CD1 4.34Å; Y1262-L1264 HydrophobicContact CE2-CG 4.44Å; Y1262-L1264 HydrophobicContact CG-CG 4.32Å; Y1262-R1338 HydrophobicContact CD1-CG 4.21Å; Y1262-R1338 HydrophobicContact CE1-CG 4.48Å |
| 1263 | P | 82.6 | Confident | 81.9 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | S | Bend | cis | -74.9 | 135.2 | 0 | 33.1 | -33.5 | 0 | 0 | 0 | 113.1 | F1261 V1265 P1288 V1293 I1339 | F1261-P1263 CarbonylContact O-C 3.49Å; P1263-V1265 PolarHBondContact O-N 3.45Å; P1263-P1288 WeakPolarHBondContact CD-O 3.2Å; P1263-P1288 HydrophobicContact CG-CB 4.17Å; P1263-P1288 WeakPolarHBondContact CG-O 3.43Å; P1263-V1293 HydrophobicContact CB-CG2 3.58Å; P1263-V1293 HydrophobicContact CG-CG2 4.03Å; P1263-I1339 HydrophobicContact CB-CG2 4.2Å |
| 1264 | L | 86.7 | Confident | 81.4 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 121.8 | -174.3 | -65 | 174.8 | 0 | 0 | 0 | 111.4 | L1230 L1258 F1261 Y1262 W1266 F1331 | L1230-L1264 HydrophobicContact CD1-CD2 4.13Å; L1258-L1264 HydrophobicContact CB-CD2 4.32Å; L1258-L1264 HydrophobicContact CD1-CD1 4.23Å; L1258-L1264 HydrophobicContact CD1-CD2 4.45Å; F1261-L1264 HydrophobicContact CB-CD2 3.69Å; Y1262-L1264 HydrophobicContact CD1-CD1 4.4Å; Y1262-L1264 HydrophobicContact CD1-CG 3.87Å; Y1262-L1264 HydrophobicContact CE1-CD1 3.68Å; Y1262-L1264 HydrophobicContact CE1-CG 3.66Å; Y1262-L1264 HydrophobicContact CE2-CD1 4.34Å; Y1262-L1264 HydrophobicContact CE2-CG 4.44Å; Y1262-L1264 HydrophobicContact CG-CG 4.32Å; L1264-W1266 WeakPolarHBondContact O-CZ3 3.47Å; L1264-F1331 HydrophobicContact CB-CZ 4.48Å; L1264-F1331 HydrophobicContact CD1-CE2 4.31Å |
| 1265 | V | 87.6 | Confident | 80.9 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | trans | -105.8 | 157 | 169.5 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | P1263 T1269 A1270 P1288 D1292 V1293 | P1263-V1265 PolarHBondContact O-N 3.45Å; V1265-T1269 HydrophobicContact CB-CG2 4.21Å; V1265-T1269 HydrophobicContact CG1-CG2 4.34Å; V1265-A1270 HydrophobicContact CG2-CB 4.46Å; V1265-P1288 HydrophobicContact CG1-CB 3.77Å; V1265-P1288 HydrophobicContact CG1-CG 4.12Å; V1265-P1288 HydrophobicContact CG2-CB 4.49Å; V1265-P1288 HydrophobicContact CG2-CG 3.95Å; V1265-D1292 HydrophobicContact CG1-CB 4.12Å; V1265-V1293 HydrophobicContact CG1-CG2 4.45Å | ||
| 1266 | W | 91.9 | Very high | 80.6 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | trans | -137.5 | 165.9 | -174 | 59.3 | 85.4 | 0 | 0 | 0 | 112.7 | Y1233 A1235 L1264 A1270 V1293 S1296 I1297 F1331 L1332 | Y1233-W1266 HydrophobicContact CD1-CB 3.73Å; Y1233-W1266 HydrophobicContact CD1-CG 4.36Å; Y1233-W1266 HydrophobicContact CG-CB 4.48Å; A1235-W1266 HydrophobicContact CB-CD2 3.92Å; A1235-W1266 HydrophobicContact CB-CG 4.06Å; A1235-W1266 HydrophobicContact CB-CZ2 4.12Å; L1264-W1266 WeakPolarHBondContact O-CZ3 3.47Å; W1266-A1270 PolarHBondContact O-N 3.46Å; W1266-V1293 HydrophobicContact CH2-CG1 4.09Å; W1266-V1293 HydrophobicContact CZ3-CG1 4.09Å; W1266-S1296 PolarHBondContact NE1-O 3.32Å; W1266-I1297 HydrophobicContact CH2-CG1 4.15Å; W1266-I1297 HydrophobicContact CZ2-CG1 4.01Å; W1266-F1331 AromaticContact CD2-CE1 3.93Å; W1266-F1331 HydrophobicContact CD2-CE1 3.93Å; W1266-F1331 HydrophobicContact CD2-CZ 4.35Å; W1266-F1331 AromaticContact CE3-CE1 3.38Å; W1266-F1331 HydrophobicContact CE3-CE1 3.38Å; W1266-F1331 AromaticContact CE3-CZ 3.54Å; W1266-F1331 HydrophobicContact CE3-CZ 3.54Å; W1266-F1331 HydrophobicContact CH2-CE1 4.03Å; W1266-F1331 AromaticContact CZ3-CE1 3.44Å; W1266-F1331 HydrophobicContact CZ3-CE1 3.44Å; W1266-F1331 VanDerWaalsContact CZ3-CE1 3.44Å; W1266-F1331 AromaticContact CZ3-CZ 3.78Å; W1266-F1331 HydrophobicContact CZ3-CZ 3.78Å; W1266-L1332 HydrophobicContact CH2-CD1 4.38Å | ||
| 1267 | G | 86.7 | Confident | 80.4 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | 67.7 | -136.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1230 Y1233 T1269 A1270 L1271 | L1230-G1267 PolarHBondContact O-N 3Å; Y1233-G1267 WeakPolarHBondContact O-CA 3.49Å; Y1233-G1267 PolarHBondContact O-N 2.91Å; G1267-T1269 VanDerWaalsContact C-N 3.33Å; G1267-T1269 PolarHBondContact O-N 3.4Å; G1267-A1270 VanDerWaalsContact O-CB 3.26Å; G1267-A1270 WeakPolarHBondContact O-CB 3.17Å; G1267-A1270 PolarHBondContact O-N 3.23Å; G1267-L1271 PolarHBondContact O-N 2.95Å |
| 1268 | S | 83.3 | Confident | 80.4 | Confident | 75 Ų | 75 | 41.3 Ų | 41.3 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.2 | -34.9 | 179.6 | 51.4 | 0 | 0 | 0 | 0 | 113.3 | A1270 L1271 S1272 | S1268-A1270 VanDerWaalsContact C-N 3.28Å; S1268-A1270 PolarHBondContact O-N 3.49Å; S1268-L1271 PolarHBondContact O-N 3.25Å; S1268-S1272 PolarHBondContact O-N 3.03Å; S1268-S1272 PolarHBondContact O-OG 3.02Å |
| 1269 | T | 84.4 | Confident | 80.1 | Confident | 38 Ų | 38 | 48.1 Ų | 48.1 | 23% | 0.233 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 175.4 | -48.8 | 0 | 0 | 0 | 0 | 111.2 | V1265 G1267 S1272 S1273 S1296 | V1265-T1269 HydrophobicContact CB-CG2 4.21Å; V1265-T1269 HydrophobicContact CG1-CG2 4.34Å; G1267-T1269 VanDerWaalsContact C-N 3.33Å; G1267-T1269 PolarHBondContact O-N 3.4Å; T1269-S1272 PolarHBondContact O-OG 2.88Å; T1269-S1272 VanDerWaalsContact O-OG 3.09Å; T1269-S1273 VanDerWaalsContact O-CB 3.31Å; T1269-S1273 WeakPolarHBondContact O-CB 3.26Å; T1269-S1273 PolarHBondContact O-N 3.18Å; T1269-S1273 VanDerWaalsContact O-N 3.15Å; T1269-S1296 PolarHBondContact OG1-OG 3.44Å |
| 1270 | A | 85 | Confident | 80.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -54.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1230 V1265 W1266 G1267 S1268 S1272 S1273 F1274 | L1230-A1270 HydrophobicContact CB-CB 4Å; L1230-A1270 WeakPolarHBondContact O-CB 2.96Å; V1265-A1270 HydrophobicContact CG2-CB 4.46Å; W1266-A1270 PolarHBondContact O-N 3.46Å; G1267-A1270 VanDerWaalsContact O-CB 3.26Å; G1267-A1270 WeakPolarHBondContact O-CB 3.17Å; G1267-A1270 PolarHBondContact O-N 3.23Å; S1268-A1270 VanDerWaalsContact C-N 3.28Å; S1268-A1270 PolarHBondContact O-N 3.49Å; A1270-S1272 VanDerWaalsContact C-N 3.29Å; A1270-S1272 PolarHBondContact O-N 3.48Å; A1270-S1273 PolarHBondContact O-N 3.5Å; A1270-S1273 VanDerWaalsContact O-N 3.15Å; A1270-F1274 HydrophobicContact CB-CD2 3.83Å; A1270-F1274 HydrophobicContact CB-CE2 3.33Å; A1270-F1274 HydrophobicContact CB-CZ 4.3Å; A1270-F1274 WeakPolarHBondContact O-CB 3.48Å; A1270-F1274 WeakPolarHBondContact O-CD2 3.19Å; A1270-F1274 WeakPolarHBondContact O-CG 3.4Å; A1270-F1274 PolarHBondContact O-N 2.76Å |
| 1271 | L | 81.3 | Confident | 79.8 | Confident | 89 Ų | 89 | 48 Ų | 48 | 47% | 0.466 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.8 | -42.4 | -177 | -174.4 | 66.8 | 0 | 0 | 0 | 113 | V1195 S1231 G1267 S1268 A1275 | V1195-L1271 HydrophobicContact CG1-CD1 4.29Å; S1231-L1271 VanDerWaalsContact OG-CA 3.32Å; S1231-L1271 WeakPolarHBondContact OG-CA 3.05Å; S1231-L1271 PolarHBondContact OG-N 2.63Å; G1267-L1271 PolarHBondContact O-N 2.95Å; S1268-L1271 PolarHBondContact O-N 3.25Å; L1271-A1275 PolarHBondContact O-N 3Å |
| 1272 | S | 79.3 | Confident | 79.2 | Confident | 68 Ų | 68 | 52.5 Ų | 52.5 | 48% | 0.476 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.9 | -44.9 | 177.5 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | S1268 T1269 A1270 F1274 A1275 N1276 | S1268-S1272 PolarHBondContact O-N 3.03Å; S1268-S1272 PolarHBondContact O-OG 3.02Å; T1269-S1272 PolarHBondContact O-OG 2.88Å; T1269-S1272 VanDerWaalsContact O-OG 3.09Å; A1270-S1272 VanDerWaalsContact C-N 3.29Å; A1270-S1272 PolarHBondContact O-N 3.48Å; S1272-F1274 PolarHBondContact O-N 2.85Å; S1272-A1275 PolarHBondContact O-N 3.12Å; S1272-N1276 PolarHBondContact O-N 3.22Å |
| 1273 | S | 75.3 | Confident | 78.7 | Confident | 18 Ų | 18 | 55 Ų | 55 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.6 | -36.6 | 175.8 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | T1269 A1270 N1276 W1277 W1285 | T1269-S1273 VanDerWaalsContact O-CB 3.31Å; T1269-S1273 WeakPolarHBondContact O-CB 3.26Å; T1269-S1273 PolarHBondContact O-N 3.18Å; T1269-S1273 VanDerWaalsContact O-N 3.15Å; A1270-S1273 PolarHBondContact O-N 3.5Å; A1270-S1273 VanDerWaalsContact O-N 3.15Å; S1273-N1276 PolarHBondContact O-N 3.05Å; S1273-W1277 PolarHBondContact O-N 3.47Å; S1273-W1285 PolarHBondContact OG-NE1 3.45Å |
| 1274 | F | 72.9 | Confident | 78.3 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -78.5 | -35 | -179.5 | -66.2 | -46.4 | 0 | 0 | 0 | 114.9 | P1227 L1230 S1231 F1261 A1270 S1272 N1276 W1277 K1278 | P1227-F1274 VanDerWaalsContact CA-CD2 3.41Å; P1227-F1274 VanDerWaalsContact CA-CE2 3.48Å; P1227-F1274 HydrophobicContact CB-CB 3.81Å; P1227-F1274 HydrophobicContact CB-CD1 3.5Å; P1227-F1274 HydrophobicContact CB-CD2 3.74Å; P1227-F1274 HydrophobicContact CB-CE1 4.01Å; P1227-F1274 HydrophobicContact CB-CE2 4.24Å; P1227-F1274 HydrophobicContact CB-CG 3.39Å; P1227-F1274 HydrophobicContact CB-CZ 4.38Å; P1227-F1274 HydrophobicContact CG-CD1 3.58Å; P1227-F1274 HydrophobicContact CG-CE1 3.87Å; P1227-F1274 HydrophobicContact CG-CG 4.03Å; P1227-F1274 WeakPolarHBondContact O-CD2 3.38Å; P1227-F1274 VanDerWaalsContact O-CE2 3.29Å; P1227-F1274 WeakPolarHBondContact O-CE2 3.24Å; L1230-F1274 HydrophobicContact CB-CE2 3.53Å; L1230-F1274 HydrophobicContact CB-CZ 3.89Å; L1230-F1274 HydrophobicContact CD1-CE2 4.15Å; L1230-F1274 HydrophobicContact CD1-CZ 3.59Å; L1230-F1274 HydrophobicContact CG-CE2 4.49Å; L1230-F1274 HydrophobicContact CG-CZ 4.39Å; S1231-F1274 WeakPolarHBondContact OG-CD2 3.41Å; F1261-F1274 AromaticContact CD1-CE1 3.89Å; F1261-F1274 HydrophobicContact CD1-CE1 3.89Å; F1261-F1274 HydrophobicContact CE1-CE1 4.01Å; A1270-F1274 HydrophobicContact CB-CD2 3.83Å; A1270-F1274 HydrophobicContact CB-CE2 3.33Å; A1270-F1274 HydrophobicContact CB-CZ 4.3Å; A1270-F1274 WeakPolarHBondContact O-CB 3.48Å; A1270-F1274 WeakPolarHBondContact O-CD2 3.19Å; A1270-F1274 WeakPolarHBondContact O-CG 3.4Å; A1270-F1274 PolarHBondContact O-N 2.76Å; S1272-F1274 PolarHBondContact O-N 2.85Å; F1274-N1276 PolarHBondContact O-N 3.35Å; F1274-W1277 PolarHBondContact O-N 3.25Å; F1274-K1278 PolarHBondContact O-N 3.19Å |
| 1275 | A | 73.2 | Confident | 77.6 | Confident | 50 Ų | 50 | 60 Ų | 60 | 41% | 0.413 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.7 | -42.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1271 S1272 K1278 L1279 | L1271-A1275 PolarHBondContact O-N 3Å; S1272-A1275 PolarHBondContact O-N 3.12Å; A1275-K1278 PolarHBondContact O-N 2.94Å; A1275-L1279 WeakPolarHBondContact O-CD1 3.4Å; A1275-L1279 WeakPolarHBondContact O-CG 3.1Å; A1275-L1279 PolarHBondContact O-N 2.8Å |
| 1276 | N | 73.1 | Confident | 77 | Confident | 88 Ų | 88 | 66.6 Ų | 66.6 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 175.3 | -67.2 | -17.6 | 0 | 0 | 0 | 112.5 | S1272 S1273 F1274 L1279 L1280 | S1272-N1276 PolarHBondContact O-N 3.22Å; S1273-N1276 PolarHBondContact O-N 3.05Å; F1274-N1276 PolarHBondContact O-N 3.35Å; N1276-L1279 PolarHBondContact O-N 2.78Å; N1276-L1280 WeakPolarHBondContact O-CB 3.34Å; N1276-L1280 WeakPolarHBondContact O-CG 3.4Å; N1276-L1280 PolarHBondContact O-N 3.07Å |
| 1277 | W | 74.7 | Confident | 76.3 | Confident | 35 Ų | 35 | 73.8 Ų | 73.8 | 13% | 0.133 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 175 | -179.2 | 77.5 | 0 | 0 | 0 | 112.8 | P1227 S1273 F1274 L1279 G1281 W1285 | P1227-W1277 HydrophobicContact CG-CE3 4.1Å; P1227-W1277 HydrophobicContact CG-CZ3 4.01Å; S1273-W1277 PolarHBondContact O-N 3.47Å; F1274-W1277 PolarHBondContact O-N 3.25Å; W1277-L1279 VanDerWaalsContact C-N 3.32Å; W1277-L1279 PolarHBondContact O-N 3.22Å; W1277-G1281 WeakPolarHBondContact O-CA 2.89Å; W1277-G1281 PolarHBondContact O-N 3.32Å; W1277-W1285 HydrophobicContact CB-CG 4.09Å; W1277-W1285 AromaticContact CD1-CD1 3.96Å; W1277-W1285 AromaticContact CD1-CD2 3.64Å; W1277-W1285 AromaticContact CD1-CG 3.49Å; W1277-W1285 VanDerWaalsContact CD1-CG 3.49Å; W1277-W1285 HydrophobicContact CG-CD2 4.45Å; W1277-W1285 HydrophobicContact CG-CG 4.19Å |
| 1278 | K | 72.4 | Confident | 76.1 | Confident | 162 Ų | 162 | 74.4 Ų | 74.4 | 70% | 0.704 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64 | -34.3 | 176.9 | -84.2 | -167.9 | 175.7 | -174.9 | 0 | 113.2 | F1274 A1275 | F1274-K1278 PolarHBondContact O-N 3.19Å; A1275-K1278 PolarHBondContact O-N 2.94Å |
| 1279 | L | 75.5 | Confident | 76.1 | Confident | 145 Ų | 145 | 73.2 Ų | 73.2 | 76% | 0.759 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -76 | -40.4 | 179.6 | -75.2 | 163.1 | 0 | 0 | 0 | 112.7 | A1275 N1276 W1277 | A1275-L1279 WeakPolarHBondContact O-CD1 3.4Å; A1275-L1279 WeakPolarHBondContact O-CG 3.1Å; A1275-L1279 PolarHBondContact O-N 2.8Å; N1276-L1279 PolarHBondContact O-N 2.78Å; W1277-L1279 VanDerWaalsContact C-N 3.32Å; W1277-L1279 PolarHBondContact O-N 3.22Å |
| 1280 | L | 76 | Confident | 76.2 | Confident | 92 Ų | 92 | 71.9 Ų | 71.9 | 48% | 0.482 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -99.1 | -20.1 | -169.8 | -64.8 | 169.8 | 0 | 0 | 0 | 113.9 | N1276 L1284 | N1276-L1280 WeakPolarHBondContact O-CB 3.34Å; N1276-L1280 WeakPolarHBondContact O-CG 3.4Å; N1276-L1280 PolarHBondContact O-N 3.07Å; L1280-L1284 HydrophobicContact CB-CB 4Å |
| 1281 | G | 71.2 | Confident | 76.2 | Confident | 23 Ų | 23 | 74.8 Ų | 74.8 | 24% | 0.237 | 41% | 0.413 | C | S | . | . | trans | 77 | 172.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | W1277 S1283 W1285 | W1277-G1281 WeakPolarHBondContact O-CA 2.89Å; W1277-G1281 PolarHBondContact O-N 3.32Å; G1281-S1283 VanDerWaalsContact C-N 3.34Å; G1281-S1283 PolarHBondContact O-N 3.31Å; G1281-W1285 WeakPolarHBondContact O-CB 2.94Å; G1281-W1285 PolarHBondContact O-N 2.99Å | ||
| 1282 | P | 68.8 | Low | 76.5 | Confident | 98 Ų | 98 | 73.5 Ų | 73.5 | 64% | 0.636 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -21.5 | -171.2 | 24 | -32 | 0 | 0 | 0 | 115.2 | ||
| 1283 | S | 71.3 | Confident | 77 | Confident | 113 Ų | 113 | 70.3 Ų | 70.3 | 79% | 0.79 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -27 | -178.9 | 52.7 | 0 | 0 | 0 | 0 | 114 | G1281 | G1281-S1283 VanDerWaalsContact C-N 3.34Å; G1281-S1283 PolarHBondContact O-N 3.31Å |
| 1284 | L | 73.4 | Confident | 77.7 | Confident | 117 Ų | 117 | 69.6 Ų | 69.6 | 61% | 0.613 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 1.4 | -178.2 | -67.5 | 176.2 | 0 | 0 | 0 | 113 | L1280 | L1280-L1284 HydrophobicContact CB-CB 4Š|
| 1285 | W | 73.1 | Confident | 78.5 | Confident | 25 Ų | 25 | 71.7 Ų | 71.7 | 10% | 0.095 | 40% | 0.395 | C | S | . | . | trans | -81.4 | 123.5 | -177.9 | 171.1 | 68.7 | 0 | 0 | 0 | 111.8 | I1260 F1261 S1273 W1277 G1281 R1287 P1288 | I1260-W1285 WeakPolarHBondContact O-CH2 2.79Å; I1260-W1285 WeakPolarHBondContact O-CZ3 3.47Å; F1261-W1285 HydrophobicContact CD1-CH2 4.27Å; S1273-W1285 PolarHBondContact OG-NE1 3.45Å; W1277-W1285 HydrophobicContact CB-CG 4.09Å; W1277-W1285 AromaticContact CD1-CD1 3.96Å; W1277-W1285 AromaticContact CD1-CD2 3.64Å; W1277-W1285 AromaticContact CD1-CG 3.49Å; W1277-W1285 VanDerWaalsContact CD1-CG 3.49Å; W1277-W1285 HydrophobicContact CG-CD2 4.45Å; W1277-W1285 HydrophobicContact CG-CG 4.19Å; G1281-W1285 WeakPolarHBondContact O-CB 2.94Å; G1281-W1285 PolarHBondContact O-N 2.99Å; W1285-R1287 HydrophobicContact CE3-CG 4.09Å; W1285-R1287 HydrophobicContact CH2-CB 4.42Å; W1285-R1287 HydrophobicContact CH2-CG 4Å; W1285-R1287 HydrophobicContact CZ3-CB 4.47Å; W1285-R1287 HydrophobicContact CZ3-CG 3.61Å; W1285-R1287 PolarHBondContact O-N 3.15Å; W1285-P1288 HydrophobicContact CZ2-CG 4.35Å | ||
| 1286 | N | 74.4 | Confident | 79.3 | Confident | 145 Ų | 145 | 70 Ų | 70 | 78% | 0.775 | 38% | 0.38 | S | S | * | . | trans | -75.3 | 115.1 | 172.5 | -71.3 | -22.7 | 0 | 0 | 0 | 109.8 | ||||
| 1287 | R | 76.8 | Confident | 80.2 | Confident | 157 Ų | 157 | 66.3 Ų | 66.3 | 59% | 0.592 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 145.5 | 174.1 | -66.2 | -173 | -175.6 | -177 | 2.8 | 110.4 | W1285 | W1285-R1287 HydrophobicContact CE3-CG 4.09Å; W1285-R1287 HydrophobicContact CH2-CB 4.42Å; W1285-R1287 HydrophobicContact CH2-CG 4Å; W1285-R1287 HydrophobicContact CZ3-CB 4.47Å; W1285-R1287 HydrophobicContact CZ3-CG 3.61Å; W1285-R1287 PolarHBondContact O-N 3.15Å |
| 1288 | P | 82.5 | Confident | 81.1 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 147.1 | 171.9 | -18 | 30.2 | 0 | 0 | 0 | 110.7 | P1263 V1265 W1285 D1292 | P1263-P1288 WeakPolarHBondContact CD-O 3.2Å; P1263-P1288 HydrophobicContact CG-CB 4.17Å; P1263-P1288 WeakPolarHBondContact CG-O 3.43Å; V1265-P1288 HydrophobicContact CG1-CB 3.77Å; V1265-P1288 HydrophobicContact CG1-CG 4.12Å; V1265-P1288 HydrophobicContact CG2-CB 4.49Å; V1265-P1288 HydrophobicContact CG2-CG 3.95Å; W1285-P1288 HydrophobicContact CZ2-CG 4.35Å; P1288-D1292 WeakPolarHBondContact CA-OD2 3.32Å; P1288-D1292 HydrophobicContact CB-CB 3.97Å |
| 1289 | S | 84 | Confident | 81.9 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 167.1 | 173 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | D1291 D1292 V1293 | S1289-D1291 PolarHBondContact O-N 3.14Å; S1289-D1291 PolarHBondContact OG-N 3.28Å; S1289-D1292 WeakPolarHBondContact CB-OD2 3.5Å; S1289-D1292 PolarHBondContact N-OD2 3.08Å; S1289-D1292 WeakPolarHBondContact O-CB 2.93Å; S1289-D1292 PolarHBondContact O-N 3.02Å; S1289-D1292 VanDerWaalsContact OG-CG 3.26Å; S1289-D1292 PolarHBondContact OG-N 3.18Å; S1289-D1292 VanDerWaalsContact OG-N 3.13Å; S1289-D1292 PolarHBondContact OG-OD2 3.09Å; S1289-V1293 PolarHBondContact O-N 2.83Å |
| 1290 | A | 85.7 | Confident | 82.7 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.6 | -31.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1292 V1293 L1294 I1339 | A1290-D1292 VanDerWaalsContact C-N 3.33Å; A1290-V1293 PolarHBondContact O-N 2.66Å; A1290-L1294 WeakPolarHBondContact O-CG 3.05Å; A1290-L1294 PolarHBondContact O-N 3.42Å; A1290-L1294 VanDerWaalsContact O-N 3.14Å; A1290-I1339 HydrophobicContact CB-CB 4.13Å; A1290-I1339 HydrophobicContact CB-CG2 4.15Å |
| 1291 | D | 85.9 | Confident | 83.5 | Confident | 61 Ų | 61 | 61.1 Ų | 61.1 | 33% | 0.326 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.9 | -30.8 | 175.3 | -92 | -33.5 | 0 | 0 | 0 | 113 | S1289 L1294 S1295 R1350 | S1289-D1291 PolarHBondContact O-N 3.14Å; S1289-D1291 PolarHBondContact OG-N 3.28Å; D1291-L1294 PolarHBondContact O-N 2.91Å; D1291-S1295 WeakPolarHBondContact O-CB 3.28Å; D1291-S1295 PolarHBondContact O-N 2.88Å; D1291-R1350 VanDerWaalsContact CB-NH1 3.31Å; D1291-R1350 PolarHBondContact O-NH1 3.26Å; D1291-R1350 VanDerWaalsContact OD1-CD 3.26Å; D1291-R1350 WeakPolarHBondContact OD1-CD 3.34Å; D1291-R1350 IonicContact OD1-CZ 2.72Å; D1291-R1350 IonicContact OD1-NE 2.72Å; D1291-R1350 IonicContact OD1-NH1 3.89Å; D1291-R1350 PolarHBondContact OD1-NH1 3.43Å |
| 1292 | D | 87.5 | Confident | 84.7 | Confident | 61 Ų | 61 | 60 Ų | 60 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 174.9 | -65.5 | -50.3 | 0 | 0 | 0 | 111.1 | V1265 P1288 S1289 A1290 S1295 S1296 | V1265-D1292 HydrophobicContact CG1-CB 4.12Å; P1288-D1292 WeakPolarHBondContact CA-OD2 3.32Å; P1288-D1292 HydrophobicContact CB-CB 3.97Å; S1289-D1292 WeakPolarHBondContact CB-OD2 3.5Å; S1289-D1292 PolarHBondContact N-OD2 3.08Å; S1289-D1292 WeakPolarHBondContact O-CB 2.93Å; S1289-D1292 PolarHBondContact O-N 3.02Å; S1289-D1292 VanDerWaalsContact OG-CG 3.26Å; S1289-D1292 PolarHBondContact OG-N 3.18Å; S1289-D1292 VanDerWaalsContact OG-N 3.13Å; S1289-D1292 PolarHBondContact OG-OD2 3.09Å; A1290-D1292 VanDerWaalsContact C-N 3.33Å; D1292-S1295 WeakPolarHBondContact CA-OG 3.25Å; D1292-S1295 WeakPolarHBondContact O-CB 3.17Å; D1292-S1295 PolarHBondContact O-N 3.44Å; D1292-S1295 VanDerWaalsContact O-N 3.14Å; D1292-S1295 PolarHBondContact O-OG 2.93Å; D1292-S1296 PolarHBondContact O-N 3.44Å; D1292-S1296 PolarHBondContact O-OG 3.09Å |
| 1293 | V | 89.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 172.6 | -180 | 0 | 0 | 0 | 0 | 111 | P1263 V1265 W1266 S1289 A1290 S1295 S1296 I1297 I1339 | P1263-V1293 HydrophobicContact CB-CG2 3.58Å; P1263-V1293 HydrophobicContact CG-CG2 4.03Å; V1265-V1293 HydrophobicContact CG1-CG2 4.45Å; W1266-V1293 HydrophobicContact CH2-CG1 4.09Å; W1266-V1293 HydrophobicContact CZ3-CG1 4.09Å; S1289-V1293 PolarHBondContact O-N 2.83Å; A1290-V1293 PolarHBondContact O-N 2.66Å; V1293-S1295 PolarHBondContact O-N 3.31Å; V1293-S1296 PolarHBondContact O-N 3.02Å; V1293-S1296 VanDerWaalsContact O-N 3.12Å; V1293-I1297 PolarHBondContact O-N 2.99Å; V1293-I1339 HydrophobicContact CB-CG2 4.43Å; V1293-I1339 HydrophobicContact CG2-CG2 4.16Å |
| 1294 | L | 90.3 | Very high | 86.9 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -28 | 177.3 | -65.8 | 176.3 | 0 | 0 | 0 | 111.7 | A1290 D1291 I1297 I1339 R1350 F1351 | A1290-L1294 WeakPolarHBondContact O-CG 3.05Å; A1290-L1294 PolarHBondContact O-N 3.42Å; A1290-L1294 VanDerWaalsContact O-N 3.14Å; D1291-L1294 PolarHBondContact O-N 2.91Å; L1294-I1297 HydrophobicContact CD2-CD1 4.4Å; L1294-I1339 HydrophobicContact CD2-CD1 4.1Å; L1294-I1339 HydrophobicContact CG-CD1 4.36Å; L1294-R1350 HydrophobicContact CB-CG 4.39Å; L1294-R1350 HydrophobicContact CD1-CB 4.12Å; L1294-R1350 HydrophobicContact CD1-CG 4.01Å; L1294-F1351 HydrophobicContact CD2-CD2 4.06Å |
| 1295 | S | 89.4 | Confident | 87.9 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -75.7 | -27.4 | 174.6 | 83.5 | 0 | 0 | 0 | 0 | 113.9 | D1291 D1292 V1293 I1297 | D1291-S1295 WeakPolarHBondContact O-CB 3.28Å; D1291-S1295 PolarHBondContact O-N 2.88Å; D1292-S1295 WeakPolarHBondContact CA-OG 3.25Å; D1292-S1295 WeakPolarHBondContact O-CB 3.17Å; D1292-S1295 PolarHBondContact O-N 3.44Å; D1292-S1295 VanDerWaalsContact O-N 3.14Å; D1292-S1295 PolarHBondContact O-OG 2.93Å; V1293-S1295 PolarHBondContact O-N 3.31Å; S1295-I1297 PolarHBondContact O-N 3.33Å |
| 1296 | S | 90.1 | Very high | 89 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -74.9 | -11 | 174.3 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | W1266 T1269 D1292 V1293 | W1266-S1296 PolarHBondContact NE1-O 3.32Å; T1269-S1296 PolarHBondContact OG1-OG 3.44Å; D1292-S1296 PolarHBondContact O-N 3.44Å; D1292-S1296 PolarHBondContact O-OG 3.09Å; V1293-S1296 PolarHBondContact O-N 3.02Å; V1293-S1296 VanDerWaalsContact O-N 3.12Å |
| 1297 | I | 92.5 | Very high | 89.9 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -86.2 | 116.5 | 175.2 | -61.9 | 173 | 0 | 0 | 0 | 109.5 | W1266 V1293 L1294 S1295 E1299 M1302 Y1327 L1332 L1336 C1356 | W1266-I1297 HydrophobicContact CH2-CG1 4.15Å; W1266-I1297 HydrophobicContact CZ2-CG1 4.01Å; V1293-I1297 PolarHBondContact O-N 2.99Å; L1294-I1297 HydrophobicContact CD2-CD1 4.4Å; S1295-I1297 PolarHBondContact O-N 3.33Å; I1297-E1299 PolarHBondContact O-N 2.92Å; I1297-M1302 HydrophobicContact CD1-CE 4.29Å; I1297-M1302 HydrophobicContact CG2-CB 4.16Å; I1297-M1302 HydrophobicContact CG2-CE 3.52Å; I1297-Y1327 HydrophobicContact CG2-CE2 4.24Å; I1297-L1332 HydrophobicContact CD1-CD1 4.08Å; I1297-L1332 HydrophobicContact CG1-CD1 4.45Å; I1297-L1336 HydrophobicContact CD1-CD2 4.22Å; I1297-C1356 VanDerWaalsContact CD1-SG 3.53Å |
| 1298 | D | 91.8 | Very high | 90.6 | Very high | 75 Ų | 75 | 43.4 Ų | 43.4 | 40% | 0.401 | 23% | 0.228 | S | C | . | . | trans | -74.5 | 113.6 | 168.5 | 176.5 | -24.8 | 0 | 0 | 0 | 109 | E1300 K1301 M1302 Y1327 | D1298-E1300 VanDerWaalsContact C-N 3.29Å; D1298-E1300 PolarHBondContact O-N 2.97Å; D1298-E1300 WeakPolarHBondContact OD1-CA 3.19Å; D1298-E1300 WeakPolarHBondContact OD1-CB 3.38Å; D1298-E1300 PolarHBondContact OD1-N 2.56Å; D1298-K1301 HydrophobicContact CB-CB 3.82Å; D1298-K1301 PolarHBondContact O-N 2.7Å; D1298-K1301 PolarHBondContact OD1-N 3.14Å; D1298-M1302 WeakPolarHBondContact O-CB 3.21Å; D1298-M1302 PolarHBondContact O-N 3.42Å; D1298-Y1327 WeakPolarHBondContact CB-OH 3.42Å; D1298-Y1327 PolarHBondContact N-OH 2.96Å | ||
| 1299 | E | 90.7 | Very high | 91.2 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 41% | 0.411 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.4 | -37.5 | -178.5 | -63 | -174.4 | -179.8 | 0 | 0 | 112.7 | I1297 M1302 K1303 | I1297-E1299 PolarHBondContact O-N 2.92Å; E1299-M1302 PolarHBondContact O-N 2.92Å; E1299-K1303 VanDerWaalsContact O-CG 3.27Å; E1299-K1303 WeakPolarHBondContact O-CG 3.43Å; E1299-K1303 PolarHBondContact O-N 2.86Å |
| 1300 | E | 91.8 | Very high | 91.6 | Very high | 118 Ų | 118 | 40.5 Ų | 40.5 | 55% | 0.551 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -73.2 | -41.1 | -179.5 | -69.2 | -56.2 | 128.4 | 0 | 0 | 110.8 | D1298 M1302 K1303 K1304 | D1298-E1300 VanDerWaalsContact C-N 3.29Å; D1298-E1300 PolarHBondContact O-N 2.97Å; D1298-E1300 WeakPolarHBondContact OD1-CA 3.19Å; D1298-E1300 WeakPolarHBondContact OD1-CB 3.38Å; D1298-E1300 PolarHBondContact OD1-N 2.56Å; E1300-M1302 VanDerWaalsContact C-N 3.3Å; E1300-M1302 PolarHBondContact O-N 3.49Å; E1300-K1303 PolarHBondContact O-N 3.38Å; E1300-K1303 IonicContact OE1-NZ 3.98Å; E1300-K1303 PolarHBondContact OE1-NZ 3.07Å; E1300-K1304 WeakPolarHBondContact O-CB 3.43Å; E1300-K1304 PolarHBondContact O-N 3.26Å |
| 1301 | K | 93.1 | Very high | 91.9 | Very high | 44 Ų | 44 | 40.4 Ų | 40.4 | 19% | 0.191 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -37.5 | 172.1 | -166.5 | -177.4 | -60.9 | 176.3 | 0 | 111.5 | T1236 D1298 K1304 T1305 D1325 Y1327 | T1236-K1301 HydrophobicContact CG2-CD 4.28Å; D1298-K1301 HydrophobicContact CB-CB 3.82Å; D1298-K1301 PolarHBondContact O-N 2.7Å; D1298-K1301 PolarHBondContact OD1-N 3.14Å; K1301-K1304 PolarHBondContact O-N 2.64Å; K1301-T1305 WeakPolarHBondContact O-CB 3.09Å; K1301-T1305 PolarHBondContact O-N 3.06Å; K1301-T1305 PolarHBondContact O-OG1 3.5Å; K1301-D1325 VanDerWaalsContact CG-O 3.32Å; K1301-D1325 WeakPolarHBondContact CG-O 3.46Å; K1301-Y1327 HydrophobicContact CB-CD2 4.3Å; K1301-Y1327 HydrophobicContact CB-CE2 3.68Å; K1301-Y1327 HydrophobicContact CD-CD1 4.46Å; K1301-Y1327 HydrophobicContact CD-CD2 4.14Å; K1301-Y1327 HydrophobicContact CD-CE1 4.12Å; K1301-Y1327 HydrophobicContact CD-CE2 3.79Å; K1301-Y1327 HydrophobicContact CD-CG 4.46Å; K1301-Y1327 HydrophobicContact CG-CD2 3.98Å; K1301-Y1327 HydrophobicContact CG-CE2 3.75Å |
| 1302 | M | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -46.5 | 175.2 | -175.9 | 66.1 | 76.1 | 0 | 0 | 111.7 | I1297 D1298 E1299 E1300 K1304 T1305 I1306 Y1327 L1332 H1355 F1359 | I1297-M1302 HydrophobicContact CD1-CE 4.29Å; I1297-M1302 HydrophobicContact CG2-CB 4.16Å; I1297-M1302 HydrophobicContact CG2-CE 3.52Å; D1298-M1302 WeakPolarHBondContact O-CB 3.21Å; D1298-M1302 PolarHBondContact O-N 3.42Å; E1299-M1302 PolarHBondContact O-N 2.92Å; E1300-M1302 VanDerWaalsContact C-N 3.3Å; E1300-M1302 PolarHBondContact O-N 3.49Å; M1302-K1304 VanDerWaalsContact C-N 3.34Å; M1302-K1304 PolarHBondContact O-N 3.34Å; M1302-T1305 CarbonylContact O-C 3.52Å; M1302-T1305 WeakPolarHBondContact O-CA 3.38Å; M1302-T1305 WeakPolarHBondContact O-CB 3.48Å; M1302-T1305 PolarHBondContact O-N 2.74Å; M1302-T1305 VanDerWaalsContact O-N 3.1Å; M1302-I1306 HydrophobicContact CG-CD1 4Å; M1302-I1306 WeakPolarHBondContact O-CG1 3.38Å; M1302-I1306 PolarHBondContact O-N 2.73Å; M1302-Y1327 HydrophobicContact CB-CD2 4.38Å; M1302-Y1327 HydrophobicContact CB-CE2 4.24Å; M1302-Y1327 HydrophobicContact CE-CD2 4.24Å; M1302-Y1327 HydrophobicContact CE-CE2 4.47Å; M1302-Y1327 HydrophobicContact SD-CD2 4.37Å; M1302-L1332 HydrophobicContact CE-CD2 3.51Å; M1302-L1332 HydrophobicContact SD-CD2 4.25Å; M1302-H1355 HydrophobicContact CG-CB 3.75Å; M1302-F1359 HydrophobicContact SD-CB 3.87Å; M1302-F1359 HydrophobicContact SD-CD2 3.62Å; M1302-F1359 HydrophobicContact SD-CE2 4.41Å; M1302-F1359 HydrophobicContact SD-CG 3.91Å |
| 1303 | K | 93.2 | Very high | 92.5 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 27% | 0.27 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.5 | -45.5 | 173.7 | -72.3 | 168.6 | -166.2 | 163.1 | 0 | 111.3 | E1299 E1300 T1305 I1306 L1307 H1355 | E1299-K1303 VanDerWaalsContact O-CG 3.27Å; E1299-K1303 WeakPolarHBondContact O-CG 3.43Å; E1299-K1303 PolarHBondContact O-N 2.86Å; E1300-K1303 PolarHBondContact O-N 3.38Å; E1300-K1303 IonicContact OE1-NZ 3.98Å; E1300-K1303 PolarHBondContact OE1-NZ 3.07Å; K1303-T1305 VanDerWaalsContact C-N 3.27Å; K1303-T1305 PolarHBondContact O-N 2.88Å; K1303-I1306 PolarHBondContact O-N 3.02Å; K1303-L1307 WeakPolarHBondContact O-CG 3.31Å; K1303-L1307 PolarHBondContact O-N 2.96Å; K1303-H1355 WeakPolarHBondContact CE-NE2 3.11Å |
| 1304 | K | 93.5 | Very high | 92.5 | Very high | 86 Ų | 86 | 44 Ų | 44 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.7 | -38.7 | 175 | -173.9 | 179.1 | 175.3 | -177.5 | 0 | 111.4 | E1300 K1301 M1302 N1308 D1325 L1326 | E1300-K1304 WeakPolarHBondContact O-CB 3.43Å; E1300-K1304 PolarHBondContact O-N 3.26Å; K1301-K1304 PolarHBondContact O-N 2.64Å; M1302-K1304 VanDerWaalsContact C-N 3.34Å; M1302-K1304 PolarHBondContact O-N 3.34Å; K1304-N1308 WeakPolarHBondContact O-CB 3.31Å; K1304-N1308 PolarHBondContact O-N 3.48Å; K1304-N1308 PolarHBondContact O-ND2 3.25Å; K1304-D1325 IonicContact NZ-OD2 2.75Å; K1304-D1325 PolarHBondContact NZ-OD2 2.95Å; K1304-L1326 HydrophobicContact CG-CD2 4.07Å |
| 1305 | T | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.8 | -43 | 175.5 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | K1301 M1302 K1303 N1308 F1309 L1326 Y1327 F1359 | K1301-T1305 WeakPolarHBondContact O-CB 3.09Å; K1301-T1305 PolarHBondContact O-N 3.06Å; K1301-T1305 PolarHBondContact O-OG1 3.5Å; M1302-T1305 CarbonylContact O-C 3.52Å; M1302-T1305 WeakPolarHBondContact O-CA 3.38Å; M1302-T1305 WeakPolarHBondContact O-CB 3.48Å; M1302-T1305 PolarHBondContact O-N 2.74Å; M1302-T1305 VanDerWaalsContact O-N 3.1Å; K1303-T1305 VanDerWaalsContact C-N 3.27Å; K1303-T1305 PolarHBondContact O-N 2.88Å; T1305-N1308 CarbonylContact O-C 3.58Å; T1305-N1308 VanDerWaalsContact O-C 3.28Å; T1305-N1308 PolarHBondContact O-N 3.43Å; T1305-F1309 WeakPolarHBondContact O-CA 3.18Å; T1305-F1309 PolarHBondContact O-N 3.02Å; T1305-L1326 HydrophobicContact CG2-CB 4.41Å; T1305-Y1327 PolarHBondContact OG1-N 2.98Å; T1305-Y1327 VanDerWaalsContact OG1-N 3.08Å; T1305-F1359 HydrophobicContact CG2-CD2 4.32Å; T1305-F1359 HydrophobicContact CG2-CE2 3.82Å |
| 1306 | I | 95.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 176.4 | -73.1 | 160.3 | 0 | 0 | 0 | 111.4 | M1302 K1303 H1355 F1359 L1422 | M1302-I1306 HydrophobicContact CG-CD1 4Å; M1302-I1306 WeakPolarHBondContact O-CG1 3.38Å; M1302-I1306 PolarHBondContact O-N 2.73Å; K1303-I1306 PolarHBondContact O-N 3.02Å; I1306-H1355 HydrophobicContact CD1-CB 3.58Å; I1306-F1359 HydrophobicContact CG1-CB 4.49Å; I1306-L1422 HydrophobicContact CG2-CD1 4.25Å |
| 1307 | L | 92.4 | Very high | 92 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 41% | 0.414 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.1 | -39.9 | 177.8 | -68 | 173.1 | 0 | 0 | 0 | 111.9 | K1303 | K1303-L1307 WeakPolarHBondContact O-CG 3.31Å; K1303-L1307 PolarHBondContact O-N 2.96Å |
| 1308 | N | 92.1 | Very high | 91.5 | Very high | 73 Ų | 73 | 58.4 Ų | 58.4 | 39% | 0.39 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 34.7 | 179.7 | -65.7 | -58.5 | 0 | 0 | 0 | 113.4 | K1304 T1305 L1326 R1487 | K1304-N1308 WeakPolarHBondContact O-CB 3.31Å; K1304-N1308 PolarHBondContact O-N 3.48Å; K1304-N1308 PolarHBondContact O-ND2 3.25Å; T1305-N1308 CarbonylContact O-C 3.58Å; T1305-N1308 VanDerWaalsContact O-C 3.28Å; T1305-N1308 PolarHBondContact O-N 3.43Å; N1308-L1326 HydrophobicContact CB-CD1 4.12Å; N1308-L1326 HydrophobicContact CB-CD2 4.18Å; N1308-R1487 VanDerWaalsContact C-NH1 3.31Å |
| 1309 | F | 94.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | trans | -50.8 | 133.2 | -169.2 | -152.1 | -102.1 | 0 | 0 | 0 | 113.6 | T1305 L1311 F1359 C1362 F1366 F1418 R1487 | T1305-F1309 WeakPolarHBondContact O-CA 3.18Å; T1305-F1309 PolarHBondContact O-N 3.02Å; F1309-L1311 VanDerWaalsContact C-N 3.26Å; F1309-L1311 HydrophobicContact CD1-CD2 3.98Å; F1309-L1311 PolarHBondContact O-N 2.89Å; F1309-F1359 HydrophobicContact CD2-CD2 4.43Å; F1309-F1359 HydrophobicContact CD2-CE2 4.47Å; F1309-F1359 AromaticContact CE2-CD2 3.58Å; F1309-F1359 HydrophobicContact CE2-CD2 3.58Å; F1309-F1359 AromaticContact CE2-CE2 3.63Å; F1309-F1359 HydrophobicContact CE2-CE2 3.63Å; F1309-F1359 HydrophobicContact CE2-CG 4.26Å; F1309-F1359 HydrophobicContact CE2-CZ 4.38Å; F1309-F1359 HydrophobicContact CZ-CD2 4.42Å; F1309-F1359 HydrophobicContact CZ-CE2 4.27Å; F1309-C1362 HydrophobicContact CD1-CB 4.25Å; F1309-C1362 HydrophobicContact CD2-CB 3.7Å; F1309-C1362 HydrophobicContact CE1-CB 4.14Å; F1309-C1362 WeakPolarHBondContact CE1-O 3.19Å; F1309-C1362 HydrophobicContact CE2-CB 3.56Å; F1309-C1362 HydrophobicContact CG-CB 4.03Å; F1309-C1362 HydrophobicContact CZ-CB 3.8Å; F1309-F1366 HydrophobicContact CD1-CE1 4.08Å; F1309-F1366 HydrophobicContact CD1-CZ 4.25Å; F1309-F1366 HydrophobicContact CE1-CD1 4.05Å; F1309-F1366 HydrophobicContact CE1-CD2 4.28Å; F1309-F1366 AromaticContact CE1-CE1 3.45Å; F1309-F1366 HydrophobicContact CE1-CE1 3.45Å; F1309-F1366 VanDerWaalsContact CE1-CE1 3.45Å; F1309-F1366 AromaticContact CE1-CE2 3.71Å; F1309-F1366 HydrophobicContact CE1-CE2 3.71Å; F1309-F1366 HydrophobicContact CE1-CG 4.42Å; F1309-F1366 AromaticContact CE1-CZ 3.24Å; F1309-F1366 HydrophobicContact CE1-CZ 3.24Å; F1309-F1366 HydrophobicContact CZ-CE1 4.2Å; F1309-F1366 AromaticContact CZ-CE2 3.91Å; F1309-F1366 HydrophobicContact CZ-CE2 3.91Å; F1309-F1366 AromaticContact CZ-CZ 3.55Å; F1309-F1366 HydrophobicContact CZ-CZ 3.55Å; F1309-F1418 HydrophobicContact CB-CE2 3.74Å; F1309-F1418 HydrophobicContact CB-CZ 3.9Å; F1309-F1418 HydrophobicContact CG-CE2 4.23Å; F1309-R1487 PolarHBondContact O-NH1 2.84Å | ||
| 1310 | P | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -80.1 | 69.5 | -173.1 | 33.7 | -36.9 | 0 | 0 | 0 | 111.8 | L1237 N1312 L1313 Y1321 P1329 F1366 | L1237-P1310 HydrophobicContact CD1-CB 4.09Å; L1237-P1310 HydrophobicContact CD1-CG 4.21Å; P1310-N1312 PolarHBondContact O-N 2.94Å; P1310-N1312 VanDerWaalsContact O-N 3.07Å; P1310-L1313 HydrophobicContact CB-CB 4.14Å; P1310-L1313 HydrophobicContact CG-CB 4.48Å; P1310-L1313 HydrophobicContact CG-CD2 4.25Å; P1310-L1313 WeakPolarHBondContact O-CB 3.42Å; P1310-L1313 PolarHBondContact O-N 3.26Å; P1310-Y1321 HydrophobicContact CB-CE1 3.96Å; P1310-Y1321 HydrophobicContact CB-CE2 4.1Å; P1310-P1329 HydrophobicContact CG-CG 3.7Å; P1310-F1366 HydrophobicContact CG-CE1 4.33Å; P1310-F1366 WeakPolarHBondContact O-CE1 3.47Å | ||
| 1311 | L | 93.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.2 | -170.7 | -67.3 | 170.9 | 0 | 0 | 0 | 115.3 | F1309 A1367 F1418 R1487 T1488 | F1309-L1311 VanDerWaalsContact C-N 3.26Å; F1309-L1311 HydrophobicContact CD1-CD2 3.98Å; F1309-L1311 PolarHBondContact O-N 2.89Å; L1311-A1367 WeakPolarHBondContact O-CB 3.31Å; L1311-A1367 PolarHBondContact O-N 3.23Å; L1311-F1418 HydrophobicContact CD1-CB 4.12Å; L1311-F1418 HydrophobicContact CD1-CD1 4.35Å; L1311-F1418 HydrophobicContact CD1-CD2 4.32Å; L1311-F1418 HydrophobicContact CD1-CG 4Å; L1311-F1418 HydrophobicContact CD2-CB 4.37Å; L1311-F1418 HydrophobicContact CD2-CD2 3.71Å; L1311-F1418 HydrophobicContact CD2-CE2 4.28Å; L1311-F1418 HydrophobicContact CD2-CG 4.16Å; L1311-F1418 HydrophobicContact CG-CD2 4.48Å; L1311-R1487 HydrophobicContact CD1-CB 3.85Å; L1311-T1488 HydrophobicContact CD1-CG2 3.77Å |
| 1312 | N | 91.3 | Very high | 88.5 | Confident | 109 Ų | 109 | 58.6 Ų | 58.6 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 9.5 | -179.8 | -63.2 | -27 | 0 | 0 | 0 | 113.3 | P1310 | P1310-N1312 PolarHBondContact O-N 2.94Å; P1310-N1312 VanDerWaalsContact O-N 3.07Å |
| 1313 | L | 93.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | trans | -64.3 | 146.4 | 174.1 | -173.5 | 69.9 | 0 | 0 | 0 | 110.7 | L1237 P1310 Y1321 P1329 R1330 F1366 D1368 L1371 | L1237-L1313 HydrophobicContact CD2-CD1 4.01Å; L1237-L1313 HydrophobicContact CD2-CD2 4.33Å; P1310-L1313 HydrophobicContact CB-CB 4.14Å; P1310-L1313 HydrophobicContact CG-CB 4.48Å; P1310-L1313 HydrophobicContact CG-CD2 4.25Å; P1310-L1313 WeakPolarHBondContact O-CB 3.42Å; P1310-L1313 PolarHBondContact O-N 3.26Å; L1313-Y1321 HydrophobicContact CD1-CD2 4.23Å; L1313-Y1321 HydrophobicContact CD1-CG 4.27Å; L1313-P1329 HydrophobicContact CD2-CB 4.07Å; L1313-P1329 VanDerWaalsContact CD2-CD 3.43Å; L1313-P1329 HydrophobicContact CD2-CG 3.59Å; L1313-R1330 HydrophobicContact CD2-CG 4.25Å; L1313-F1366 HydrophobicContact CB-CE1 4.41Å; L1313-D1368 VanDerWaalsContact O-CB 3.32Å; L1313-D1368 WeakPolarHBondContact O-CB 3.4Å; L1313-L1371 HydrophobicContact CB-CD1 4.19Å; L1313-L1371 HydrophobicContact CD2-CD1 4.2Å; L1313-L1371 HydrophobicContact CG-CD1 4.09Å; L1313-L1371 WeakPolarHBondContact O-CD1 3.48Å | ||
| 1314 | Q | 91.1 | Very high | 86.9 | Confident | 90 Ų | 90 | 59.5 Ų | 59.5 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | trans | -104.6 | 152.1 | 171.8 | -65.7 | 176.7 | -26.5 | 0 | 0 | 110.1 | D1316 H1319 R1330 | Q1314-D1316 PolarHBondContact O-N 3.44Å; Q1314-H1319 HydrophobicContact CB-CB 3.99Å; Q1314-H1319 PolarHBondContact OE1-ND1 3.44Å; Q1314-R1330 WeakPolarHBondContact O-CD 3.46Å | ||
| 1315 | L | 90.1 | Very high | 86.5 | Confident | 66 Ų | 66 | 59.5 Ų | 59.5 | 35% | 0.346 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -59.8 | -31.3 | 175 | -177.3 | 58.9 | 0 | 0 | 0 | 112.2 | V1317 R1330 D1368 D1370 L1371 | L1315-V1317 PolarHBondContact O-N 3.05Å; L1315-R1330 VanDerWaalsContact O-CD 3.3Å; L1315-R1330 WeakPolarHBondContact O-CD 2.99Å; L1315-D1368 PolarHBondContact N-OD2 3.3Å; L1315-D1370 HydrophobicContact CB-CB 4.17Å; L1315-D1370 HydrophobicContact CD2-CB 3.76Å; L1315-L1371 HydrophobicContact CB-CD2 4.27Å; L1315-L1371 HydrophobicContact CB-CG 3.94Å; L1315-L1371 HydrophobicContact CD1-CD2 3.7Å; L1315-L1371 HydrophobicContact CD1-CG 4.3Å |
| 1316 | D | 85.9 | Confident | 86.4 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 43% | 0.428 | 33% | 0.328 | S | S | . | . | trans | -57.4 | 119.9 | 178.8 | -171.4 | -4.8 | 0 | 0 | 0 | 111.4 | Q1314 R1318 H1319 R1330 | Q1314-D1316 PolarHBondContact O-N 3.44Å; D1316-R1318 PolarHBondContact O-N 3.44Å; D1316-R1318 VanDerWaalsContact O-N 3.17Å; D1316-R1318 VanDerWaalsContact OD1-CB 3.23Å; D1316-R1318 WeakPolarHBondContact OD1-CB 3.12Å; D1316-R1318 VanDerWaalsContact OD1-CG 3.27Å; D1316-R1318 WeakPolarHBondContact OD1-CG 3.45Å; D1316-R1318 PolarHBondContact OD1-N 3.23Å; D1316-H1319 VanDerWaalsContact O-CB 3.3Å; D1316-H1319 WeakPolarHBondContact O-CB 3.27Å; D1316-H1319 PolarHBondContact O-N 2.84Å; D1316-R1330 PolarHBondContact O-NH1 3.21Å | ||
| 1317 | V | 83.9 | Confident | 86.4 | Confident | 37 Ų | 37 | 60 Ų | 60 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.2 | 176.2 | -132.3 | 0 | 0 | 0 | 0 | 111.9 | L1245 K1246 L1315 H1319 | L1245-V1317 HydrophobicContact CB-CG1 4.34Å; L1245-V1317 HydrophobicContact CD2-CG1 3.68Å; L1245-V1317 HydrophobicContact CG-CG1 3.78Å; K1246-V1317 WeakPolarHBondContact CE-O 3.34Å; K1246-V1317 HydrophobicContact CG-CB 4.11Å; K1246-V1317 HydrophobicContact CG-CG1 4.09Å; L1315-V1317 PolarHBondContact O-N 3.05Å; V1317-H1319 VanDerWaalsContact C-N 3.32Å |
| 1318 | R | 80.2 | Confident | 86.5 | Confident | 202 Ų | 202 | 56.2 Ų | 56.2 | 76% | 0.762 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -21.4 | 174.6 | -59.3 | 170.7 | 173.2 | 179.9 | -0.8 | 112.8 | D1316 S1320 | D1316-R1318 PolarHBondContact O-N 3.44Å; D1316-R1318 VanDerWaalsContact O-N 3.17Å; D1316-R1318 VanDerWaalsContact OD1-CB 3.23Å; D1316-R1318 WeakPolarHBondContact OD1-CB 3.12Å; D1316-R1318 VanDerWaalsContact OD1-CG 3.27Å; D1316-R1318 WeakPolarHBondContact OD1-CG 3.45Å; D1316-R1318 PolarHBondContact OD1-N 3.23Å; R1318-S1320 PolarHBondContact O-N 3.35Å |
| 1319 | H | 79 | Confident | 86.6 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 25% | 0.245 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -66.6 | 119.1 | 176.8 | -175.1 | 87.7 | 0 | 0 | 0 | 111 | Q1314 D1316 V1317 R1330 | Q1314-H1319 HydrophobicContact CB-CB 3.99Å; Q1314-H1319 PolarHBondContact OE1-ND1 3.44Å; D1316-H1319 VanDerWaalsContact O-CB 3.3Å; D1316-H1319 WeakPolarHBondContact O-CB 3.27Å; D1316-H1319 PolarHBondContact O-N 2.84Å; V1317-H1319 VanDerWaalsContact C-N 3.32Å; H1319-R1330 PolarHBondContact O-NH1 2.9Å |
| 1320 | S | 75.8 | Confident | 86.6 | Confident | 96 Ų | 96 | 53.4 Ų | 53.4 | 67% | 0.671 | 29% | 0.291 | S | S | * | . | trans | -84.3 | 128.4 | 177.7 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | R1318 | R1318-S1320 PolarHBondContact O-N 3.35Š| ||
| 1321 | Y | 77.5 | Confident | 86.6 | Confident | 70 Ų | 70 | 54.1 Ų | 54.1 | 28% | 0.275 | 29% | 0.294 | S | S | . | . | trans | -127.4 | 124.8 | 176 | -164.3 | -82.9 | 0 | 0 | 0 | 109.7 | L1237 P1310 L1313 A1323 | L1237-Y1321 HydrophobicContact CD1-CD1 3.74Å; L1237-Y1321 HydrophobicContact CD1-CE1 4.26Å; L1237-Y1321 HydrophobicContact CD1-CG 4.3Å; P1310-Y1321 HydrophobicContact CB-CE1 3.96Å; P1310-Y1321 HydrophobicContact CB-CE2 4.1Å; L1313-Y1321 HydrophobicContact CD1-CD2 4.23Å; L1313-Y1321 HydrophobicContact CD1-CG 4.27Å; Y1321-A1323 HydrophobicContact CD1-CB 3.81Å; Y1321-A1323 HydrophobicContact CE1-CB 3.86Å; Y1321-A1323 PolarHBondContact O-N 3.45Å | ||
| 1322 | A | 73.6 | Confident | 86.6 | Confident | 110 Ų | 110 | 53.7 Ų | 53.7 | 91% | 0.909 | 29% | 0.291 | S | S | * | . | trans | -83.2 | 78.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1323 | A | 79.3 | Confident | 86.8 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 92.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1237 Y1321 D1325 L1326 | L1237-A1323 CarbonylContact C-O 3.57Å; L1237-A1323 HydrophobicContact CB-CB 4.43Å; L1237-A1323 WeakPolarHBondContact CB-O 3.41Å; L1237-A1323 HydrophobicContact CD1-CB 4.39Å; Y1321-A1323 HydrophobicContact CD1-CB 3.81Å; Y1321-A1323 HydrophobicContact CE1-CB 3.86Å; Y1321-A1323 PolarHBondContact O-N 3.45Å; A1323-D1325 VanDerWaalsContact C-N 3.28Å; A1323-D1325 PolarHBondContact O-N 3.15Å; A1323-L1326 HydrophobicContact CB-CB 4.38Å; A1323-L1326 HydrophobicContact CB-CD1 3.78Å; A1323-L1326 HydrophobicContact CB-CG 3.97Å |
| 1324 | S | 75.6 | Confident | 86.7 | Confident | 62 Ų | 62 | 51.8 Ų | 51.8 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | -30.8 | -179.9 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | T1236 | T1236-S1324 WeakPolarHBondContact CB-O 3.29Å; T1236-S1324 PolarHBondContact OG1-O 3.24Å |
| 1325 | D | 85 | Confident | 86.7 | Confident | 85 Ų | 85 | 48 Ų | 48 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -1.4 | -166.3 | -66.7 | 3.4 | 0 | 0 | 0 | 114.5 | K1301 K1304 A1323 | K1301-D1325 VanDerWaalsContact CG-O 3.32Å; K1301-D1325 WeakPolarHBondContact CG-O 3.46Å; K1304-D1325 IonicContact NZ-OD2 2.75Å; K1304-D1325 PolarHBondContact NZ-OD2 2.95Å; A1323-D1325 VanDerWaalsContact C-N 3.28Å; A1323-D1325 PolarHBondContact O-N 3.15Å |
| 1326 | L | 93 | Very high | 86.8 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 145.3 | -175.3 | -53.2 | -176.6 | 0 | 0 | 0 | 109.8 | T1236 L1237 K1304 T1305 N1308 A1323 | T1236-L1326 CarbonylContact C-O 3.51Å; T1236-L1326 WeakPolarHBondContact CA-O 3.09Å; T1236-L1326 WeakPolarHBondContact CB-O 3.49Å; L1237-L1326 HydrophobicContact CD1-CB 4.34Å; L1237-L1326 PolarHBondContact N-O 3.11Å; K1304-L1326 HydrophobicContact CG-CD2 4.07Å; T1305-L1326 HydrophobicContact CG2-CB 4.41Å; N1308-L1326 HydrophobicContact CB-CD1 4.12Å; N1308-L1326 HydrophobicContact CB-CD2 4.18Å; A1323-L1326 HydrophobicContact CB-CB 4.38Å; A1323-L1326 HydrophobicContact CB-CD1 3.78Å; A1323-L1326 HydrophobicContact CB-CG 3.97Å |
| 1327 | Y | 95.2 | Very high | 87.1 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 143.4 | 171.8 | -80.2 | -65.2 | 0 | 0 | 0 | 111.1 | A1235 I1297 D1298 K1301 M1302 T1305 P1329 L1332 | A1235-Y1327 HydrophobicContact CB-CD1 4.04Å; A1235-Y1327 HydrophobicContact CB-CE1 4.14Å; A1235-Y1327 WeakPolarHBondContact O-CA 3.35Å; A1235-Y1327 WeakPolarHBondContact O-CD1 3.31Å; I1297-Y1327 HydrophobicContact CG2-CE2 4.24Å; D1298-Y1327 WeakPolarHBondContact CB-OH 3.42Å; D1298-Y1327 PolarHBondContact N-OH 2.96Å; K1301-Y1327 HydrophobicContact CB-CD2 4.3Å; K1301-Y1327 HydrophobicContact CB-CE2 3.68Å; K1301-Y1327 HydrophobicContact CD-CD1 4.46Å; K1301-Y1327 HydrophobicContact CD-CD2 4.14Å; K1301-Y1327 HydrophobicContact CD-CE1 4.12Å; K1301-Y1327 HydrophobicContact CD-CE2 3.79Å; K1301-Y1327 HydrophobicContact CD-CG 4.46Å; K1301-Y1327 HydrophobicContact CG-CD2 3.98Å; K1301-Y1327 HydrophobicContact CG-CE2 3.75Å; M1302-Y1327 HydrophobicContact CB-CD2 4.38Å; M1302-Y1327 HydrophobicContact CB-CE2 4.24Å; M1302-Y1327 HydrophobicContact CE-CD2 4.24Å; M1302-Y1327 HydrophobicContact CE-CE2 4.47Å; M1302-Y1327 HydrophobicContact SD-CD2 4.37Å; T1305-Y1327 PolarHBondContact OG1-N 2.98Å; T1305-Y1327 VanDerWaalsContact OG1-N 3.08Å; Y1327-P1329 VanDerWaalsContact O-CD 3.24Å; Y1327-P1329 WeakPolarHBondContact O-CD 3.38Å; Y1327-L1332 HydrophobicContact CG-CD2 4.23Å |
| 1328 | D | 94 | Very high | 87.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -84 | 110.2 | 173.5 | -167.1 | -20.3 | 0 | 0 | 0 | 110.7 | A1235 L1237 R1330 F1331 L1332 | A1235-D1328 PolarHBondContact O-N 3.19Å; L1237-D1328 HydrophobicContact CD2-CB 3.89Å; L1237-D1328 VanDerWaalsContact CD2-CG 3.44Å; L1237-D1328 HydrophobicContact CG-CB 4.12Å; D1328-R1330 PolarHBondContact O-N 3.16Å; D1328-R1330 VanDerWaalsContact OD1-CB 3.25Å; D1328-R1330 WeakPolarHBondContact OD1-CB 3.29Å; D1328-R1330 WeakPolarHBondContact OD1-CG 3.31Å; D1328-R1330 IonicContact OD1-CZ 3.9Å; D1328-R1330 PolarHBondContact OD1-N 3.26Å; D1328-R1330 IonicContact OD1-NE 2.8Å; D1328-R1330 PolarHBondContact OD1-NE 3.34Å; D1328-R1330 IonicContact OD1-NH2 2.62Å; D1328-R1330 IonicContact OD2-CZ 2.83Å; D1328-R1330 IonicContact OD2-NE 3.23Å; D1328-R1330 PolarHBondContact OD2-NE 3.48Å; D1328-R1330 VanDerWaalsContact OD2-NE 3.08Å; D1328-R1330 IonicContact OD2-NH2 3.74Å; D1328-R1330 PolarHBondContact OD2-NH2 3.07Å; D1328-F1331 PolarHBondContact O-N 3.39Å; D1328-L1332 WeakPolarHBondContact O-CB 3.13Å; D1328-L1332 PolarHBondContact O-N 3.28Å | ||
| 1329 | P | 95 | Very high | 87.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58 | -27.5 | 175.4 | -20 | 31.6 | 0 | 0 | 0 | 114.1 | P1310 L1313 Y1327 F1331 L1333 F1359 F1366 | P1310-P1329 HydrophobicContact CG-CG 3.7Å; L1313-P1329 HydrophobicContact CD2-CB 4.07Å; L1313-P1329 VanDerWaalsContact CD2-CD 3.43Å; L1313-P1329 HydrophobicContact CD2-CG 3.59Å; Y1327-P1329 VanDerWaalsContact O-CD 3.24Å; Y1327-P1329 WeakPolarHBondContact O-CD 3.38Å; P1329-F1331 VanDerWaalsContact C-N 3.27Å; P1329-F1331 PolarHBondContact O-N 3.02Å; P1329-L1333 HydrophobicContact CB-CD1 4.02Å; P1329-L1333 HydrophobicContact CB-CG 4.26Å; P1329-L1333 WeakPolarHBondContact O-CB 3.36Å; P1329-L1333 WeakPolarHBondContact O-CD1 3.35Å; P1329-L1333 WeakPolarHBondContact O-CG 3.47Å; P1329-L1333 PolarHBondContact O-N 2.92Å; P1329-F1359 HydrophobicContact CB-CE1 4.36Å; P1329-F1359 HydrophobicContact CB-CZ 3.74Å; P1329-F1359 HydrophobicContact CG-CE2 4.39Å; P1329-F1359 HydrophobicContact CG-CZ 3.83Å; P1329-F1366 HydrophobicContact CB-CE2 4.47Å; P1329-F1366 HydrophobicContact CB-CZ 3.8Å; P1329-F1366 HydrophobicContact CG-CE1 4.38Å; P1329-F1366 HydrophobicContact CG-CZ 3.83Å |
| 1330 | R | 93.2 | Very high | 88.4 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 6% | 0.06 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66 | -31.2 | -178.4 | -62.4 | 170.6 | -69.7 | -164.4 | 2.5 | 112.4 | L1245 L1313 Q1314 L1315 D1316 H1319 D1328 P1334 L1371 | L1245-R1330 HydrophobicContact CD2-CB 4.22Å; L1313-R1330 HydrophobicContact CD2-CG 4.25Å; Q1314-R1330 WeakPolarHBondContact O-CD 3.46Å; L1315-R1330 VanDerWaalsContact O-CD 3.3Å; L1315-R1330 WeakPolarHBondContact O-CD 2.99Å; D1316-R1330 PolarHBondContact O-NH1 3.21Å; H1319-R1330 PolarHBondContact O-NH1 2.9Å; D1328-R1330 PolarHBondContact O-N 3.16Å; D1328-R1330 VanDerWaalsContact OD1-CB 3.25Å; D1328-R1330 WeakPolarHBondContact OD1-CB 3.29Å; D1328-R1330 WeakPolarHBondContact OD1-CG 3.31Å; D1328-R1330 IonicContact OD1-CZ 3.9Å; D1328-R1330 PolarHBondContact OD1-N 3.26Å; D1328-R1330 IonicContact OD1-NE 2.8Å; D1328-R1330 PolarHBondContact OD1-NE 3.34Å; D1328-R1330 IonicContact OD1-NH2 2.62Å; D1328-R1330 IonicContact OD2-CZ 2.83Å; D1328-R1330 IonicContact OD2-NE 3.23Å; D1328-R1330 PolarHBondContact OD2-NE 3.48Å; D1328-R1330 VanDerWaalsContact OD2-NE 3.08Å; D1328-R1330 IonicContact OD2-NH2 3.74Å; D1328-R1330 PolarHBondContact OD2-NH2 3.07Å; R1330-P1334 WeakPolarHBondContact O-CD 3.12Å; R1330-P1334 VanDerWaalsContact O-CG 3.31Å; R1330-P1334 WeakPolarHBondContact O-CG 3.48Å; R1330-L1371 HydrophobicContact CG-CD2 4.45Å |
| 1331 | F | 93.2 | Very high | 88.9 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -90.1 | -46.7 | 173.3 | 172.3 | -103.8 | 0 | 0 | 0 | 111.9 | Y1233 A1235 L1245 L1264 W1266 D1328 P1329 L1333 P1334 A1335 | Y1233-F1331 AromaticContact CE1-CD1 3.88Å; Y1233-F1331 HydrophobicContact CE1-CD1 3.88Å; Y1233-F1331 HydrophobicContact CE1-CD2 4.04Å; Y1233-F1331 AromaticContact CE1-CE1 3.87Å; Y1233-F1331 HydrophobicContact CE1-CE1 3.87Å; Y1233-F1331 HydrophobicContact CE1-CE2 4.02Å; Y1233-F1331 AromaticContact CE1-CG 3.96Å; Y1233-F1331 HydrophobicContact CE1-CG 3.96Å; Y1233-F1331 AromaticContact CE1-CZ 3.94Å; Y1233-F1331 HydrophobicContact CE1-CZ 3.94Å; Y1233-F1331 WeakPolarHBondContact OH-CB 3.37Å; Y1233-F1331 WeakPolarHBondContact OH-CG 3.27Å; A1235-F1331 HydrophobicContact CB-CD1 3.71Å; A1235-F1331 HydrophobicContact CB-CE1 3.81Å; L1245-F1331 HydrophobicContact CD1-CB 3.68Å; L1245-F1331 HydrophobicContact CD1-CD2 3.63Å; L1245-F1331 HydrophobicContact CD1-CG 4.03Å; L1245-F1331 HydrophobicContact CD2-CB 3.78Å; L1245-F1331 HydrophobicContact CG-CB 4.37Å; L1264-F1331 HydrophobicContact CB-CZ 4.48Å; L1264-F1331 HydrophobicContact CD1-CE2 4.31Å; W1266-F1331 AromaticContact CD2-CE1 3.93Å; W1266-F1331 HydrophobicContact CD2-CE1 3.93Å; W1266-F1331 HydrophobicContact CD2-CZ 4.35Å; W1266-F1331 AromaticContact CE3-CE1 3.38Å; W1266-F1331 HydrophobicContact CE3-CE1 3.38Å; W1266-F1331 AromaticContact CE3-CZ 3.54Å; W1266-F1331 HydrophobicContact CE3-CZ 3.54Å; W1266-F1331 HydrophobicContact CH2-CE1 4.03Å; W1266-F1331 AromaticContact CZ3-CE1 3.44Å; W1266-F1331 HydrophobicContact CZ3-CE1 3.44Å; W1266-F1331 VanDerWaalsContact CZ3-CE1 3.44Å; W1266-F1331 AromaticContact CZ3-CZ 3.78Å; W1266-F1331 HydrophobicContact CZ3-CZ 3.78Å; D1328-F1331 PolarHBondContact O-N 3.39Å; P1329-F1331 VanDerWaalsContact C-N 3.27Å; P1329-F1331 PolarHBondContact O-N 3.02Å; F1331-L1333 PolarHBondContact O-N 3.25Å; F1331-P1334 WeakPolarHBondContact O-CD 3.26Å; F1331-A1335 WeakPolarHBondContact O-CB 3.39Å; F1331-A1335 PolarHBondContact O-N 2.93Å; F1331-A1335 VanDerWaalsContact O-N 3.16Å |
| 1332 | L | 93.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.9 | -37.1 | -171.5 | -174 | 63.1 | 0 | 0 | 0 | 112.1 | W1266 I1297 M1302 Y1327 D1328 A1335 L1336 F1359 | W1266-L1332 HydrophobicContact CH2-CD1 4.38Å; I1297-L1332 HydrophobicContact CD1-CD1 4.08Å; I1297-L1332 HydrophobicContact CG1-CD1 4.45Å; M1302-L1332 HydrophobicContact CE-CD2 3.51Å; M1302-L1332 HydrophobicContact SD-CD2 4.25Å; Y1327-L1332 HydrophobicContact CG-CD2 4.23Å; D1328-L1332 WeakPolarHBondContact O-CB 3.13Å; D1328-L1332 PolarHBondContact O-N 3.28Å; L1332-A1335 PolarHBondContact O-N 3.3Å; L1332-L1336 HydrophobicContact CD1-CD1 4.32Å; L1332-L1336 HydrophobicContact CD1-CD2 4.47Å; L1332-L1336 HydrophobicContact CD1-CG 4.18Å; L1332-L1336 HydrophobicContact CG-CD1 3.99Å; L1332-L1336 HydrophobicContact CG-CG 4.27Å; L1332-L1336 WeakPolarHBondContact O-CB 3.35Å; L1332-L1336 WeakPolarHBondContact O-CG 3.49Å; L1332-L1336 PolarHBondContact O-N 2.96Å; L1332-F1359 HydrophobicContact CB-CE1 4.33Å; L1332-F1359 HydrophobicContact CB-CZ 4.47Å; L1332-F1359 HydrophobicContact CD2-CD1 4.06Å; L1332-F1359 HydrophobicContact CD2-CD2 4.36Å; L1332-F1359 HydrophobicContact CD2-CE1 3.67Å; L1332-F1359 HydrophobicContact CD2-CE2 4.03Å; L1332-F1359 HydrophobicContact CD2-CG 4.38Å; L1332-F1359 HydrophobicContact CD2-CZ 3.67Å; L1332-F1359 HydrophobicContact CG-CE1 4.08Å; L1332-F1359 HydrophobicContact CG-CZ 4.42Å |
| 1333 | L | 95 | Very high | 88.7 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -50.2 | 179.3 | -67.3 | 171 | 0 | 0 | 0 | 112.5 | P1329 F1331 A1335 L1336 G1337 F1359 L1360 F1366 L1371 V1374 C1375 N1378 | P1329-L1333 HydrophobicContact CB-CD1 4.02Å; P1329-L1333 HydrophobicContact CB-CG 4.26Å; P1329-L1333 WeakPolarHBondContact O-CB 3.36Å; P1329-L1333 WeakPolarHBondContact O-CD1 3.35Å; P1329-L1333 WeakPolarHBondContact O-CG 3.47Å; P1329-L1333 PolarHBondContact O-N 2.92Å; F1331-L1333 PolarHBondContact O-N 3.25Å; L1333-A1335 PolarHBondContact O-N 2.96Å; L1333-L1336 PolarHBondContact O-N 3.11Å; L1333-G1337 PolarHBondContact O-N 3.4Å; L1333-F1359 HydrophobicContact CD2-CD1 3.97Å; L1333-F1359 HydrophobicContact CD2-CE1 3.57Å; L1333-F1359 HydrophobicContact CG-CE1 3.91Å; L1333-L1360 HydrophobicContact CD2-CD2 3.56Å; L1333-F1366 HydrophobicContact CD1-CE2 4.24Å; L1333-L1371 HydrophobicContact CD1-CD2 3.89Å; L1333-V1374 HydrophobicContact CB-CG1 3.84Å; L1333-V1374 HydrophobicContact CD1-CG1 4.43Å; L1333-C1375 VanDerWaalsContact CD1-SG 3.6Å; L1333-N1378 PolarHBondContact O-ND2 3.47Å |
| 1334 | P | 91.3 | Very high | 88.3 | Confident | 69 Ų | 69 | 41.3 Ų | 41.3 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.7 | -42.2 | 172 | -26.5 | 34.3 | 0 | 0 | 0 | 113.8 | R1330 F1331 L1336 G1337 R1338 | R1330-P1334 WeakPolarHBondContact O-CD 3.12Å; R1330-P1334 VanDerWaalsContact O-CG 3.31Å; R1330-P1334 WeakPolarHBondContact O-CG 3.48Å; F1331-P1334 WeakPolarHBondContact O-CD 3.26Å; P1334-L1336 VanDerWaalsContact C-N 3.35Å; P1334-L1336 PolarHBondContact O-N 3.37Å; P1334-G1337 PolarHBondContact O-N 2.94Å; P1334-R1338 WeakPolarHBondContact O-CB 3.29Å; P1334-R1338 PolarHBondContact O-N 2.94Å |
| 1335 | A | 90.7 | Very high | 88.4 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1331 L1332 L1333 R1338 I1339 | F1331-A1335 WeakPolarHBondContact O-CB 3.39Å; F1331-A1335 PolarHBondContact O-N 2.93Å; F1331-A1335 VanDerWaalsContact O-N 3.16Å; L1332-A1335 PolarHBondContact O-N 3.3Å; L1333-A1335 PolarHBondContact O-N 2.96Å; A1335-R1338 PolarHBondContact O-N 3.46Å; A1335-I1339 PolarHBondContact O-N 3.14Å |
| 1336 | L | 93.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -44 | 174.8 | -66.1 | 175.6 | 0 | 0 | 0 | 111.8 | I1297 L1332 L1333 P1334 R1338 I1339 L1340 F1351 C1356 F1359 L1360 | I1297-L1336 HydrophobicContact CD1-CD2 4.22Å; L1332-L1336 HydrophobicContact CD1-CD1 4.32Å; L1332-L1336 HydrophobicContact CD1-CD2 4.47Å; L1332-L1336 HydrophobicContact CD1-CG 4.18Å; L1332-L1336 HydrophobicContact CG-CD1 3.99Å; L1332-L1336 HydrophobicContact CG-CG 4.27Å; L1332-L1336 WeakPolarHBondContact O-CB 3.35Å; L1332-L1336 WeakPolarHBondContact O-CG 3.49Å; L1332-L1336 PolarHBondContact O-N 2.96Å; L1333-L1336 PolarHBondContact O-N 3.11Å; P1334-L1336 VanDerWaalsContact C-N 3.35Å; P1334-L1336 PolarHBondContact O-N 3.37Å; L1336-R1338 PolarHBondContact O-N 2.77Å; L1336-I1339 HydrophobicContact CD2-CD1 4.1Å; L1336-I1339 WeakPolarHBondContact O-CG1 3.26Å; L1336-I1339 PolarHBondContact O-N 3Å; L1336-L1340 WeakPolarHBondContact O-CG 3.41Å; L1336-L1340 PolarHBondContact O-N 3.38Å; L1336-L1340 VanDerWaalsContact O-N 3.11Å; L1336-F1351 HydrophobicContact CB-CE2 4.23Å; L1336-F1351 HydrophobicContact CB-CZ 4.3Å; L1336-F1351 HydrophobicContact CD1-CZ 4.4Å; L1336-F1351 HydrophobicContact CD2-CD2 4.47Å; L1336-F1351 HydrophobicContact CD2-CE2 3.66Å; L1336-F1351 HydrophobicContact CD2-CZ 4.16Å; L1336-F1351 HydrophobicContact CG-CE2 4.38Å; L1336-C1356 HydrophobicContact CD1-CB 4.06Å; L1336-C1356 HydrophobicContact CD2-CB 3.97Å; L1336-F1359 HydrophobicContact CD1-CD1 4.2Å; L1336-L1360 HydrophobicContact CD1-CD2 4.49Å |
| 1337 | G | 91.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -36.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1333 P1334 L1340 R1341 N1378 | L1333-G1337 PolarHBondContact O-N 3.4Å; P1334-G1337 PolarHBondContact O-N 2.94Å; G1337-L1340 PolarHBondContact O-N 3.15Å; G1337-R1341 WeakPolarHBondContact O-CG 3.32Å; G1337-R1341 PolarHBondContact O-N 3.49Å; G1337-R1341 VanDerWaalsContact O-N 3.07Å; G1337-N1378 VanDerWaalsContact CA-OD1 3.31Å; G1337-N1378 WeakPolarHBondContact CA-OD1 3.38Å |
| 1338 | R | 88.7 | Confident | 88.1 | Confident | 154 Ų | 154 | 43 Ų | 43 | 58% | 0.581 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -71.1 | -42.1 | -179.7 | -167.2 | 62.2 | 172.1 | 170.6 | 1.6 | 113.1 | Y1262 P1334 A1335 L1336 L1340 R1341 S1342 | Y1262-R1338 HydrophobicContact CD1-CG 4.21Å; Y1262-R1338 HydrophobicContact CE1-CG 4.48Å; P1334-R1338 WeakPolarHBondContact O-CB 3.29Å; P1334-R1338 PolarHBondContact O-N 2.94Å; A1335-R1338 PolarHBondContact O-N 3.46Å; L1336-R1338 PolarHBondContact O-N 2.77Å; R1338-L1340 VanDerWaalsContact C-N 3.3Å; R1338-R1341 PolarHBondContact O-N 3.38Å; R1338-S1342 PolarHBondContact O-N 2.77Å |
| 1339 | I | 90.5 | Very high | 88.1 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.1 | -38.1 | 174.7 | 61.8 | 173.1 | 0 | 0 | 0 | 110.5 | P1263 A1290 V1293 L1294 A1335 L1336 R1341 S1342 V1346 F1351 | P1263-I1339 HydrophobicContact CB-CG2 4.2Å; A1290-I1339 HydrophobicContact CB-CB 4.13Å; A1290-I1339 HydrophobicContact CB-CG2 4.15Å; V1293-I1339 HydrophobicContact CB-CG2 4.43Å; V1293-I1339 HydrophobicContact CG2-CG2 4.16Å; L1294-I1339 HydrophobicContact CD2-CD1 4.1Å; L1294-I1339 HydrophobicContact CG-CD1 4.36Å; A1335-I1339 PolarHBondContact O-N 3.14Å; L1336-I1339 HydrophobicContact CD2-CD1 4.1Å; L1336-I1339 WeakPolarHBondContact O-CG1 3.26Å; L1336-I1339 PolarHBondContact O-N 3Å; I1339-R1341 VanDerWaalsContact C-N 3.32Å; I1339-R1341 PolarHBondContact O-N 3.44Å; I1339-S1342 WeakPolarHBondContact O-CB 3.49Å; I1339-S1342 PolarHBondContact O-N 2.77Å; I1339-S1342 PolarHBondContact O-OG 3.38Å; I1339-V1346 WeakPolarHBondContact O-CG2 3.15Å; I1339-F1351 HydrophobicContact CD1-CD2 4.17Å; I1339-F1351 HydrophobicContact CD1-CE2 4.11Å |
| 1340 | L | 91.5 | Very high | 87.9 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.6 | -30.1 | 178.4 | -67.2 | 172.3 | 0 | 0 | 0 | 113.9 | L1336 G1337 R1338 V1346 F1351 L1360 D1381 F1382 A1385 | L1336-L1340 WeakPolarHBondContact O-CG 3.41Å; L1336-L1340 PolarHBondContact O-N 3.38Å; L1336-L1340 VanDerWaalsContact O-N 3.11Å; G1337-L1340 PolarHBondContact O-N 3.15Å; R1338-L1340 VanDerWaalsContact C-N 3.3Å; L1340-V1346 HydrophobicContact CD2-CG1 4.38Å; L1340-F1351 HydrophobicContact CD1-CE2 4.05Å; L1340-F1351 HydrophobicContact CD1-CZ 3.8Å; L1340-F1351 HydrophobicContact CD2-CD2 4.12Å; L1340-F1351 HydrophobicContact CD2-CE2 3.84Å; L1340-F1351 HydrophobicContact CD2-CZ 4.16Å; L1340-F1351 HydrophobicContact CG-CE2 3.98Å; L1340-F1351 HydrophobicContact CG-CZ 4.23Å; L1340-L1360 HydrophobicContact CD1-CD1 4.49Å; L1340-D1381 HydrophobicContact CB-CB 3.99Å; L1340-F1382 HydrophobicContact CD1-CB 3.87Å; L1340-F1382 HydrophobicContact CD2-CB 4.15Å; L1340-F1382 HydrophobicContact CD2-CD2 3.75Å; L1340-F1382 HydrophobicContact CD2-CG 4.45Å; L1340-A1385 HydrophobicContact CD2-CB 4.36Å |
| 1341 | R | 86.6 | Confident | 87.9 | Confident | 135 Ų | 135 | 51.7 Ų | 51.7 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -0.9 | 175.5 | -70.3 | 177.1 | 177.7 | 150.5 | 4.6 | 114.4 | G1337 R1338 I1339 S1377 D1381 | G1337-R1341 WeakPolarHBondContact O-CG 3.32Å; G1337-R1341 PolarHBondContact O-N 3.49Å; G1337-R1341 VanDerWaalsContact O-N 3.07Å; R1338-R1341 PolarHBondContact O-N 3.38Å; I1339-R1341 VanDerWaalsContact C-N 3.32Å; I1339-R1341 PolarHBondContact O-N 3.44Å; R1341-S1377 PolarHBondContact NH2-OG 2.79Å; R1341-D1381 HydrophobicContact CG-CB 4.29Å; R1341-D1381 IonicContact CZ-OD1 3.83Å; R1341-D1381 IonicContact CZ-OD2 3.55Å; R1341-D1381 VanDerWaalsContact CZ-OD2 3.23Å; R1341-D1381 VanDerWaalsContact NE-CG 3.29Å; R1341-D1381 IonicContact NE-OD1 2.99Å; R1341-D1381 PolarHBondContact NE-OD1 3.23Å; R1341-D1381 IonicContact NE-OD2 2.95Å; R1341-D1381 PolarHBondContact NE-OD2 2.97Å; R1341-D1381 VanDerWaalsContact NE-OD2 3.13Å; R1341-D1381 IonicContact NH2-OD1 3.84Å; R1341-D1381 PolarHBondContact NH2-OD1 3.02Å; R1341-D1381 IonicContact NH2-OD2 2.62Å; R1341-D1381 PolarHBondContact NH2-OD2 3.33Å |
| 1342 | S | 76.5 | Confident | 88 | Confident | 43 Ų | 43 | 51.3 Ų | 51.3 | 30% | 0.301 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -73.6 | 149.4 | -178.6 | 74.1 | 0 | 0 | 0 | 0 | 111 | R1338 I1339 S1344 | R1338-S1342 PolarHBondContact O-N 2.77Å; I1339-S1342 WeakPolarHBondContact O-CB 3.49Å; I1339-S1342 PolarHBondContact O-N 2.77Å; I1339-S1342 PolarHBondContact O-OG 3.38Å; S1342-S1344 PolarHBondContact O-N 2.77Å; S1342-S1344 VanDerWaalsContact O-N 3.17Å; S1342-S1344 PolarHBondContact OG-O 3.12Å; S1342-S1344 PolarHBondContact OG-OG 3.31Å |
| 1343 | D | 69.5 | Low | 87.9 | Confident | 177 Ų | 177 | 53.2 Ų | 53.2 | 95% | 0.947 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -66.3 | -13 | 173.6 | -61.9 | -41.2 | 0 | 0 | 0 | 112.3 | ||
| 1344 | S | 72.1 | Confident | 87.8 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -77.7 | 137.7 | 176.3 | 66.8 | 0 | 0 | 0 | 0 | 111.5 | S1342 V1346 | S1342-S1344 PolarHBondContact O-N 2.77Å; S1342-S1344 VanDerWaalsContact O-N 3.17Å; S1342-S1344 PolarHBondContact OG-O 3.12Å; S1342-S1344 PolarHBondContact OG-OG 3.31Å; S1344-V1346 PolarHBondContact O-N 3.32Å |
| 1345 | V | 76.3 | Confident | 88 | Confident | 116 Ų | 116 | 50.9 Ų | 50.9 | 70% | 0.703 | 25% | 0.252 | S | S | * | . | trans | -63.4 | 106.8 | 177.9 | -177 | 0 | 0 | 0 | 0 | 109.3 | N1347 | V1345-N1347 PolarHBondContact O-N 3.14Š| ||
| 1346 | V | 85.8 | Confident | 88.3 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | trans | -71.1 | 130.3 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 109 | I1339 L1340 S1344 C1348 F1351 | I1339-V1346 WeakPolarHBondContact O-CG2 3.15Å; L1340-V1346 HydrophobicContact CD2-CG1 4.38Å; S1344-V1346 PolarHBondContact O-N 3.32Å; V1346-C1348 PolarHBondContact O-N 3.48Å; V1346-C1348 PolarHBondContact O-SG 2.81Å; V1346-F1351 HydrophobicContact CG1-CD2 4.49Å | ||
| 1347 | N | 90.1 | Very high | 88.4 | Confident | 72 Ų | 72 | 50.3 Ų | 50.3 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | trans | -66.8 | 85.8 | 169.9 | -171 | -25.9 | 0 | 0 | 0 | 110.1 | V1345 R1349 R1350 F1351 | V1345-N1347 PolarHBondContact O-N 3.14Å; N1347-R1349 PolarHBondContact O-N 2.87Å; N1347-R1349 PolarHBondContact OD1-N 2.91Å; N1347-R1350 HydrophobicContact CB-CB 3.88Å; N1347-R1350 VanDerWaalsContact CG-CB 3.45Å; N1347-R1350 PolarHBondContact O-N 3.46Å; N1347-R1350 VanDerWaalsContact O-N 3.08Å; N1347-R1350 WeakPolarHBondContact OD1-CB 3.39Å; N1347-R1350 PolarHBondContact OD1-N 3.07Å; N1347-F1351 PolarHBondContact O-N 3.13Å | ||
| 1348 | C | 92.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -34.9 | -175.7 | -71.9 | 0 | 0 | 0 | 0 | 111.6 | V1346 F1351 V1352 F1382 L1386 F1392 | V1346-C1348 PolarHBondContact O-N 3.48Å; V1346-C1348 PolarHBondContact O-SG 2.81Å; C1348-F1351 WeakPolarHBondContact O-CB 3.24Å; C1348-F1351 PolarHBondContact O-N 3.1Å; C1348-V1352 WeakPolarHBondContact O-CG2 3.5Å; C1348-V1352 PolarHBondContact O-N 3.3Å; C1348-V1352 VanDerWaalsContact O-N 3.1Å; C1348-F1382 HydrophobicContact CB-CE2 4.32Å; C1348-L1386 HydrophobicContact CB-CD1 4.07Å; C1348-F1392 HydrophobicContact CB-CE1 3.89Å; C1348-F1392 HydrophobicContact CB-CZ 4.21Å |
| 1349 | R | 92.8 | Very high | 89 | Confident | 122 Ų | 122 | 42.9 Ų | 42.9 | 46% | 0.46 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.1 | -47.2 | 175 | -167.5 | 179.9 | -170.1 | -151 | -2.1 | 110.7 | N1347 F1351 V1352 T1353 F1392 E1394 | N1347-R1349 PolarHBondContact O-N 2.87Å; N1347-R1349 PolarHBondContact OD1-N 2.91Å; R1349-F1351 VanDerWaalsContact C-N 3.32Å; R1349-F1351 PolarHBondContact O-N 3.25Å; R1349-V1352 PolarHBondContact O-N 3.09Å; R1349-V1352 VanDerWaalsContact O-N 3.13Å; R1349-T1353 WeakPolarHBondContact O-CG2 3.31Å; R1349-T1353 PolarHBondContact O-N 3.47Å; R1349-T1353 PolarHBondContact O-OG1 2.85Å; R1349-F1392 HydrophobicContact CB-CD1 4.23Å; R1349-F1392 HydrophobicContact CB-CD2 4.12Å; R1349-F1392 HydrophobicContact CB-CE1 4.44Å; R1349-F1392 HydrophobicContact CB-CE2 4.31Å; R1349-F1392 HydrophobicContact CB-CG 4.07Å; R1349-F1392 HydrophobicContact CB-CZ 4.45Å; R1349-F1392 HydrophobicContact CG-CD2 4.08Å; R1349-F1392 HydrophobicContact CG-CE2 4.44Å; R1349-F1392 HydrophobicContact CG-CG 4.35Å; R1349-E1394 IonicContact NE-OE1 3.14Å; R1349-E1394 IonicContact NE-OE2 2.93Å; R1349-E1394 IonicContact NH2-OE1 3.29Å |
| 1350 | R | 91.7 | Very high | 89.4 | Confident | 76 Ų | 76 | 42.7 Ų | 42.7 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61 | -40.3 | 175.7 | -168.8 | 178.7 | -175.4 | 178.9 | 1.2 | 112 | D1291 L1294 N1347 V1352 T1353 T1354 | D1291-R1350 VanDerWaalsContact CB-NH1 3.31Å; D1291-R1350 PolarHBondContact O-NH1 3.26Å; D1291-R1350 VanDerWaalsContact OD1-CD 3.26Å; D1291-R1350 WeakPolarHBondContact OD1-CD 3.34Å; D1291-R1350 IonicContact OD1-CZ 2.72Å; D1291-R1350 IonicContact OD1-NE 2.72Å; D1291-R1350 IonicContact OD1-NH1 3.89Å; D1291-R1350 PolarHBondContact OD1-NH1 3.43Å; L1294-R1350 HydrophobicContact CB-CG 4.39Å; L1294-R1350 HydrophobicContact CD1-CB 4.12Å; L1294-R1350 HydrophobicContact CD1-CG 4.01Å; N1347-R1350 HydrophobicContact CB-CB 3.88Å; N1347-R1350 VanDerWaalsContact CG-CB 3.45Å; N1347-R1350 PolarHBondContact O-N 3.46Å; N1347-R1350 VanDerWaalsContact O-N 3.08Å; N1347-R1350 WeakPolarHBondContact OD1-CB 3.39Å; N1347-R1350 PolarHBondContact OD1-N 3.07Å; R1350-V1352 VanDerWaalsContact C-N 3.26Å; R1350-V1352 PolarHBondContact O-N 3.35Å; R1350-T1353 VanDerWaalsContact CA-OG1 3.31Å; R1350-T1353 WeakPolarHBondContact CA-OG1 3.32Å; R1350-T1353 PolarHBondContact O-N 2.98Å; R1350-T1353 PolarHBondContact O-OG1 2.86Å; R1350-T1353 VanDerWaalsContact O-OG1 3.07Å; R1350-T1354 HydrophobicContact CG-CG2 4.12Å; R1350-T1354 WeakPolarHBondContact O-CG2 3.33Å; R1350-T1354 PolarHBondContact O-N 2.94Å; R1350-T1354 PolarHBondContact O-OG1 3.41Å |
| 1351 | F | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.7 | -35.9 | 175 | -168.5 | -83 | 0 | 0 | 0 | 112.5 | L1294 L1336 I1339 L1340 V1346 N1347 C1348 R1349 T1354 C1356 L1357 L1360 F1382 | L1294-F1351 HydrophobicContact CD2-CD2 4.06Å; L1336-F1351 HydrophobicContact CB-CE2 4.23Å; L1336-F1351 HydrophobicContact CB-CZ 4.3Å; L1336-F1351 HydrophobicContact CD1-CZ 4.4Å; L1336-F1351 HydrophobicContact CD2-CD2 4.47Å; L1336-F1351 HydrophobicContact CD2-CE2 3.66Å; L1336-F1351 HydrophobicContact CD2-CZ 4.16Å; L1336-F1351 HydrophobicContact CG-CE2 4.38Å; I1339-F1351 HydrophobicContact CD1-CD2 4.17Å; I1339-F1351 HydrophobicContact CD1-CE2 4.11Å; L1340-F1351 HydrophobicContact CD1-CE2 4.05Å; L1340-F1351 HydrophobicContact CD1-CZ 3.8Å; L1340-F1351 HydrophobicContact CD2-CD2 4.12Å; L1340-F1351 HydrophobicContact CD2-CE2 3.84Å; L1340-F1351 HydrophobicContact CD2-CZ 4.16Å; L1340-F1351 HydrophobicContact CG-CE2 3.98Å; L1340-F1351 HydrophobicContact CG-CZ 4.23Å; V1346-F1351 HydrophobicContact CG1-CD2 4.49Å; N1347-F1351 PolarHBondContact O-N 3.13Å; C1348-F1351 WeakPolarHBondContact O-CB 3.24Å; C1348-F1351 PolarHBondContact O-N 3.1Å; R1349-F1351 VanDerWaalsContact C-N 3.32Å; R1349-F1351 PolarHBondContact O-N 3.25Å; F1351-T1354 PolarHBondContact O-OG1 3.19Å; F1351-C1356 HydrophobicContact CD1-CB 3.63Å; F1351-C1356 HydrophobicContact CD2-CB 3.91Å; F1351-C1356 HydrophobicContact CE1-CB 3.43Å; F1351-C1356 VanDerWaalsContact CE1-CB 3.43Å; F1351-C1356 HydrophobicContact CE2-CB 3.74Å; F1351-C1356 HydrophobicContact CG-CB 3.86Å; F1351-C1356 HydrophobicContact CZ-CB 3.47Å; F1351-C1356 VanDerWaalsContact CZ-CB 3.47Å; F1351-C1356 VanDerWaalsContact O-CB 3.29Å; F1351-C1356 WeakPolarHBondContact O-CB 3.37Å; F1351-C1356 PolarHBondContact O-N 3.13Å; F1351-L1357 HydrophobicContact CD1-CB 4.14Å; F1351-L1357 HydrophobicContact CE1-CB 4.14Å; F1351-L1360 HydrophobicContact CE1-CD1 4.08Å; F1351-L1360 HydrophobicContact CZ-CD1 4.04Å; F1351-F1382 HydrophobicContact CB-CE2 4.27Å; F1351-F1382 AromaticContact CD1-CD2 3.64Å; F1351-F1382 HydrophobicContact CD1-CD2 3.64Å; F1351-F1382 AromaticContact CD1-CE2 3.48Å; F1351-F1382 HydrophobicContact CD1-CE2 3.48Å; F1351-F1382 VanDerWaalsContact CD1-CE2 3.48Å; F1351-F1382 HydrophobicContact CD1-CZ 4.41Å; F1351-F1382 AromaticContact CE1-CD2 3.75Å; F1351-F1382 HydrophobicContact CE1-CD2 3.75Å; F1351-F1382 HydrophobicContact CE1-CE2 4.06Å; F1351-F1382 HydrophobicContact CE1-CG 4.46Å; F1351-F1382 HydrophobicContact CG-CD2 4.26Å; F1351-F1382 HydrophobicContact CG-CE2 4.05Å; F1351-F1382 HydrophobicContact CZ-CD2 4.45Å |
| 1352 | V | 93.6 | Very high | 90.1 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -76.2 | -41.9 | 173.6 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | C1348 R1349 R1350 T1354 H1355 L1357 F1382 L1398 L1428 I1432 | C1348-V1352 WeakPolarHBondContact O-CG2 3.5Å; C1348-V1352 PolarHBondContact O-N 3.3Å; C1348-V1352 VanDerWaalsContact O-N 3.1Å; R1349-V1352 PolarHBondContact O-N 3.09Å; R1349-V1352 VanDerWaalsContact O-N 3.13Å; R1350-V1352 VanDerWaalsContact C-N 3.26Å; R1350-V1352 PolarHBondContact O-N 3.35Å; V1352-T1354 PolarHBondContact O-N 2.96Å; V1352-H1355 WeakPolarHBondContact O-CA 3.31Å; V1352-H1355 PolarHBondContact O-N 3.14Å; V1352-L1357 HydrophobicContact CG1-CD2 4.48Å; V1352-L1357 HydrophobicContact CG2-CB 4.22Å; V1352-L1357 HydrophobicContact CG2-CD2 3.87Å; V1352-F1382 HydrophobicContact CG2-CE2 4.5Å; V1352-F1382 HydrophobicContact CG2-CZ 3.88Å; V1352-L1398 HydrophobicContact CG2-CD1 3.86Å; V1352-L1398 HydrophobicContact CG2-CD2 4.5Å; V1352-L1428 HydrophobicContact CG1-CB 4.2Å; V1352-I1432 HydrophobicContact CB-CD1 4.29Å; V1352-I1432 HydrophobicContact CG1-CD1 3.62Å |
| 1353 | T | 92.8 | Very high | 91.1 | Very high | 41 Ų | 41 | 33.7 Ų | 33.7 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -69.1 | -31.6 | -178.6 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | R1349 R1350 H1355 I1432 | R1349-T1353 WeakPolarHBondContact O-CG2 3.31Å; R1349-T1353 PolarHBondContact O-N 3.47Å; R1349-T1353 PolarHBondContact O-OG1 2.85Å; R1350-T1353 VanDerWaalsContact CA-OG1 3.31Å; R1350-T1353 WeakPolarHBondContact CA-OG1 3.32Å; R1350-T1353 PolarHBondContact O-N 2.98Å; R1350-T1353 PolarHBondContact O-OG1 2.86Å; R1350-T1353 VanDerWaalsContact O-OG1 3.07Å; T1353-H1355 PolarHBondContact O-CD2 3.34Å; T1353-H1355 PolarHBondContact O-N 3.28Å; T1353-I1432 HydrophobicContact CG2-CD1 4.03Å |
| 1354 | T | 93.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 9.5 | 170.4 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | R1350 F1351 V1352 C1356 | R1350-T1354 HydrophobicContact CG-CG2 4.12Å; R1350-T1354 WeakPolarHBondContact O-CG2 3.33Å; R1350-T1354 PolarHBondContact O-N 2.94Å; R1350-T1354 PolarHBondContact O-OG1 3.41Å; F1351-T1354 PolarHBondContact O-OG1 3.19Å; V1352-T1354 PolarHBondContact O-N 2.96Å; T1354-C1356 PolarHBondContact O-N 3.37Å; T1354-C1356 PolarHBondContact OG1-SG 2.83Å |
| 1355 | H | 95.2 | Very high | 93.5 | Very high | 17 Ų | 17 | 22.3 Ų | 22.3 | 8% | 0.079 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 16.6 | 179.2 | -59.2 | -79.1 | 0 | 0 | 0 | 115.7 | M1302 K1303 I1306 V1352 T1353 L1357 S1358 F1359 | M1302-H1355 HydrophobicContact CG-CB 3.75Å; K1303-H1355 WeakPolarHBondContact CE-NE2 3.11Å; I1306-H1355 HydrophobicContact CD1-CB 3.58Å; V1352-H1355 WeakPolarHBondContact O-CA 3.31Å; V1352-H1355 PolarHBondContact O-N 3.14Å; T1353-H1355 PolarHBondContact O-CD2 3.34Å; T1353-H1355 PolarHBondContact O-N 3.28Å; H1355-L1357 PolarHBondContact O-N 3.41Å; H1355-S1358 WeakPolarHBondContact O-CB 3.43Å; H1355-S1358 PolarHBondContact O-N 3.13Å; H1355-F1359 PolarHBondContact O-N 3.27Å |
| 1356 | C | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 178.3 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | I1297 L1336 F1351 T1354 S1358 F1359 L1360 | I1297-C1356 VanDerWaalsContact CD1-SG 3.53Å; L1336-C1356 HydrophobicContact CD1-CB 4.06Å; L1336-C1356 HydrophobicContact CD2-CB 3.97Å; F1351-C1356 HydrophobicContact CD1-CB 3.63Å; F1351-C1356 HydrophobicContact CD2-CB 3.91Å; F1351-C1356 HydrophobicContact CE1-CB 3.43Å; F1351-C1356 VanDerWaalsContact CE1-CB 3.43Å; F1351-C1356 HydrophobicContact CE2-CB 3.74Å; F1351-C1356 HydrophobicContact CG-CB 3.86Å; F1351-C1356 HydrophobicContact CZ-CB 3.47Å; F1351-C1356 VanDerWaalsContact CZ-CB 3.47Å; F1351-C1356 VanDerWaalsContact O-CB 3.29Å; F1351-C1356 WeakPolarHBondContact O-CB 3.37Å; F1351-C1356 PolarHBondContact O-N 3.13Å; T1354-C1356 PolarHBondContact O-N 3.37Å; T1354-C1356 PolarHBondContact OG1-SG 2.83Å; C1356-S1358 VanDerWaalsContact C-N 3.32Å; C1356-S1358 PolarHBondContact O-N 2.85Å; C1356-F1359 WeakPolarHBondContact O-CB 3.3Å; C1356-F1359 PolarHBondContact O-N 3.02Å; C1356-L1360 WeakPolarHBondContact O-CG 3.34Å; C1356-L1360 PolarHBondContact O-N 2.74Å |
| 1357 | L | 96.2 | Very high | 95 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.6 | -36.9 | 175 | -175.8 | 61.4 | 0 | 0 | 0 | 112.4 | F1351 V1352 H1355 F1359 L1360 L1361 L1379 F1382 L1398 L1402 L1428 | F1351-L1357 HydrophobicContact CD1-CB 4.14Å; F1351-L1357 HydrophobicContact CE1-CB 4.14Å; V1352-L1357 HydrophobicContact CG1-CD2 4.48Å; V1352-L1357 HydrophobicContact CG2-CB 4.22Å; V1352-L1357 HydrophobicContact CG2-CD2 3.87Å; H1355-L1357 PolarHBondContact O-N 3.41Å; L1357-F1359 VanDerWaalsContact C-N 3.33Å; L1357-L1360 PolarHBondContact O-N 3.31Å; L1357-L1361 WeakPolarHBondContact O-CG 3.25Å; L1357-L1361 PolarHBondContact O-N 3.32Å; L1357-L1361 VanDerWaalsContact O-N 3.1Å; L1357-L1379 HydrophobicContact CD1-CD2 3.72Å; L1357-F1382 HydrophobicContact CD1-CD1 3.51Å; L1357-F1382 HydrophobicContact CD1-CE1 3.62Å; L1357-F1382 HydrophobicContact CD1-CG 4.06Å; L1357-F1382 HydrophobicContact CD1-CZ 4.26Å; L1357-F1382 HydrophobicContact CD2-CD1 4.3Å; L1357-F1382 HydrophobicContact CD2-CE1 3.53Å; L1357-F1382 HydrophobicContact CD2-CZ 3.84Å; L1357-F1382 HydrophobicContact CG-CD1 4.47Å; L1357-F1382 HydrophobicContact CG-CE1 4.12Å; L1357-F1382 HydrophobicContact CG-CZ 4.45Å; L1357-L1398 HydrophobicContact CD2-CD2 4.04Å; L1357-L1402 HydrophobicContact CD1-CD2 4.44Å; L1357-L1428 HydrophobicContact CB-CD1 3.92Å; L1357-L1428 HydrophobicContact CD2-CD1 3.73Å; L1357-L1428 HydrophobicContact CD2-CD2 3.63Å; L1357-L1428 HydrophobicContact CD2-CG 4.33Å; L1357-L1428 HydrophobicContact CG-CD1 3.63Å; L1357-L1428 HydrophobicContact CG-CD2 4.4Å |
| 1358 | S | 96.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 173.5 | -76.9 | 0 | 0 | 0 | 0 | 111.6 | H1355 C1356 L1360 L1361 C1362 S1425 L1428 | H1355-S1358 WeakPolarHBondContact O-CB 3.43Å; H1355-S1358 PolarHBondContact O-N 3.13Å; C1356-S1358 VanDerWaalsContact C-N 3.32Å; C1356-S1358 PolarHBondContact O-N 2.85Å; S1358-L1360 VanDerWaalsContact C-N 3.35Å; S1358-L1360 PolarHBondContact O-N 3.13Å; S1358-L1361 PolarHBondContact O-N 3.21Å; S1358-C1362 WeakPolarHBondContact O-CB 3.29Å; S1358-C1362 PolarHBondContact O-N 3.33Å; S1358-C1362 PolarHBondContact O-SG 3.37Å; S1358-S1425 WeakPolarHBondContact CB-OG 3.39Å; S1358-S1425 PolarHBondContact OG-O 2.84Å; S1358-S1425 PolarHBondContact OG-OG 3Å; S1358-L1428 WeakPolarHBondContact OG-CD1 3.48Å |
| 1359 | F | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 176.3 | -176.5 | -98.6 | 0 | 0 | 0 | 111.8 | M1302 T1305 I1306 F1309 P1329 L1332 L1333 L1336 H1355 C1356 L1357 C1362 G1363 | M1302-F1359 HydrophobicContact SD-CB 3.87Å; M1302-F1359 HydrophobicContact SD-CD2 3.62Å; M1302-F1359 HydrophobicContact SD-CE2 4.41Å; M1302-F1359 HydrophobicContact SD-CG 3.91Å; T1305-F1359 HydrophobicContact CG2-CD2 4.32Å; T1305-F1359 HydrophobicContact CG2-CE2 3.82Å; I1306-F1359 HydrophobicContact CG1-CB 4.49Å; F1309-F1359 HydrophobicContact CD2-CD2 4.43Å; F1309-F1359 HydrophobicContact CD2-CE2 4.47Å; F1309-F1359 AromaticContact CE2-CD2 3.58Å; F1309-F1359 HydrophobicContact CE2-CD2 3.58Å; F1309-F1359 AromaticContact CE2-CE2 3.63Å; F1309-F1359 HydrophobicContact CE2-CE2 3.63Å; F1309-F1359 HydrophobicContact CE2-CG 4.26Å; F1309-F1359 HydrophobicContact CE2-CZ 4.38Å; F1309-F1359 HydrophobicContact CZ-CD2 4.42Å; F1309-F1359 HydrophobicContact CZ-CE2 4.27Å; P1329-F1359 HydrophobicContact CB-CE1 4.36Å; P1329-F1359 HydrophobicContact CB-CZ 3.74Å; P1329-F1359 HydrophobicContact CG-CE2 4.39Å; P1329-F1359 HydrophobicContact CG-CZ 3.83Å; L1332-F1359 HydrophobicContact CB-CE1 4.33Å; L1332-F1359 HydrophobicContact CB-CZ 4.47Å; L1332-F1359 HydrophobicContact CD2-CD1 4.06Å; L1332-F1359 HydrophobicContact CD2-CD2 4.36Å; L1332-F1359 HydrophobicContact CD2-CE1 3.67Å; L1332-F1359 HydrophobicContact CD2-CE2 4.03Å; L1332-F1359 HydrophobicContact CD2-CG 4.38Å; L1332-F1359 HydrophobicContact CD2-CZ 3.67Å; L1332-F1359 HydrophobicContact CG-CE1 4.08Å; L1332-F1359 HydrophobicContact CG-CZ 4.42Å; L1333-F1359 HydrophobicContact CD2-CD1 3.97Å; L1333-F1359 HydrophobicContact CD2-CE1 3.57Å; L1333-F1359 HydrophobicContact CG-CE1 3.91Å; L1336-F1359 HydrophobicContact CD1-CD1 4.2Å; H1355-F1359 PolarHBondContact O-N 3.27Å; C1356-F1359 WeakPolarHBondContact O-CB 3.3Å; C1356-F1359 PolarHBondContact O-N 3.02Å; L1357-F1359 VanDerWaalsContact C-N 3.33Å; F1359-C1362 PolarHBondContact O-N 2.84Å; F1359-G1363 PolarHBondContact O-N 2.73Å |
| 1360 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.5 | -63.2 | -177.7 | 0 | 0 | 0 | 112.9 | L1333 L1336 L1340 F1351 C1356 L1357 S1358 G1363 N1378 L1379 | L1333-L1360 HydrophobicContact CD2-CD2 3.56Å; L1336-L1360 HydrophobicContact CD1-CD2 4.49Å; L1340-L1360 HydrophobicContact CD1-CD1 4.49Å; F1351-L1360 HydrophobicContact CE1-CD1 4.08Å; F1351-L1360 HydrophobicContact CZ-CD1 4.04Å; C1356-L1360 WeakPolarHBondContact O-CG 3.34Å; C1356-L1360 PolarHBondContact O-N 2.74Å; L1357-L1360 PolarHBondContact O-N 3.31Å; S1358-L1360 VanDerWaalsContact C-N 3.35Å; S1358-L1360 PolarHBondContact O-N 3.13Å; L1360-G1363 WeakPolarHBondContact O-CA 3.46Å; L1360-G1363 PolarHBondContact O-N 3.43Å; L1360-G1363 VanDerWaalsContact O-N 3.14Å; L1360-N1378 HydrophobicContact CD1-CB 3.88Å; L1360-N1378 HydrophobicContact CD2-CB 3.74Å; L1360-N1378 HydrophobicContact CG-CB 4.46Å; L1360-L1379 HydrophobicContact CB-CD2 3.82Å; L1360-L1379 HydrophobicContact CB-CG 4.07Å; L1360-L1379 HydrophobicContact CD1-CD2 4.22Å |
| 1361 | L | 97 | Very high | 95.8 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 178.8 | -69.3 | 170.3 | 0 | 0 | 0 | 112.6 | L1357 S1358 G1363 L1364 L1379 S1421 L1424 L1428 | L1357-L1361 WeakPolarHBondContact O-CG 3.25Å; L1357-L1361 PolarHBondContact O-N 3.32Å; L1357-L1361 VanDerWaalsContact O-N 3.1Å; S1358-L1361 PolarHBondContact O-N 3.21Å; L1361-G1363 VanDerWaalsContact C-N 3.26Å; L1361-G1363 PolarHBondContact O-N 3.03Å; L1361-L1364 HydrophobicContact CD2-CD1 4.44Å; L1361-L1364 WeakPolarHBondContact O-CB 3.44Å; L1361-L1364 WeakPolarHBondContact O-CG 3.48Å; L1361-L1364 PolarHBondContact O-N 2.72Å; L1361-L1379 HydrophobicContact CD2-CD1 4.18Å; L1361-L1379 HydrophobicContact CD2-CD2 4.05Å; L1361-L1379 HydrophobicContact CG-CD2 4.35Å; L1361-S1421 VanDerWaalsContact O-CB 3.25Å; L1361-S1421 WeakPolarHBondContact O-CB 3.04Å; L1361-S1421 PolarHBondContact O-OG 2.88Å; L1361-L1424 HydrophobicContact CD1-CB 3.99Å; L1361-L1424 HydrophobicContact CD2-CD1 4.47Å; L1361-L1428 HydrophobicContact CD1-CD1 3.63Å; L1361-L1428 HydrophobicContact CD1-CD2 4.49Å; L1361-L1428 HydrophobicContact CD1-CG 4.17Å |
| 1362 | C | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.8 | -34.1 | 171.1 | -75.3 | 0 | 0 | 0 | 0 | 112.4 | F1309 S1358 F1359 L1364 S1365 F1418 | F1309-C1362 HydrophobicContact CD1-CB 4.25Å; F1309-C1362 HydrophobicContact CD2-CB 3.7Å; F1309-C1362 HydrophobicContact CE1-CB 4.14Å; F1309-C1362 WeakPolarHBondContact CE1-O 3.19Å; F1309-C1362 HydrophobicContact CE2-CB 3.56Å; F1309-C1362 HydrophobicContact CG-CB 4.03Å; F1309-C1362 HydrophobicContact CZ-CB 3.8Å; S1358-C1362 WeakPolarHBondContact O-CB 3.29Å; S1358-C1362 PolarHBondContact O-N 3.33Å; S1358-C1362 PolarHBondContact O-SG 3.37Å; F1359-C1362 PolarHBondContact O-N 2.84Å; C1362-L1364 PolarHBondContact O-N 3.38Å; C1362-S1365 WeakPolarHBondContact O-CB 3.18Å; C1362-S1365 PolarHBondContact O-N 3.29Å; C1362-F1418 HydrophobicContact CB-CE2 4.17Å |
| 1363 | G | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.9 | -25.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | F1359 L1360 L1361 S1365 F1366 C1375 | F1359-G1363 PolarHBondContact O-N 2.73Å; L1360-G1363 WeakPolarHBondContact O-CA 3.46Å; L1360-G1363 PolarHBondContact O-N 3.43Å; L1360-G1363 VanDerWaalsContact O-N 3.14Å; L1361-G1363 VanDerWaalsContact C-N 3.26Å; L1361-G1363 PolarHBondContact O-N 3.03Å; G1363-S1365 PolarHBondContact O-N 3.49Å; G1363-F1366 WeakPolarHBondContact O-CD2 3.47Å; G1363-F1366 PolarHBondContact O-N 2.88Å; G1363-F1366 VanDerWaalsContact O-N 3.12Å; G1363-C1375 VanDerWaalsContact CA-SG 3.54Å |
| 1364 | L | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.7 | 176 | -53.3 | -175.1 | 0 | 0 | 0 | 113.4 | L1361 C1362 C1375 Y1376 L1379 V1405 I1416 | L1361-L1364 HydrophobicContact CD2-CD1 4.44Å; L1361-L1364 WeakPolarHBondContact O-CB 3.44Å; L1361-L1364 WeakPolarHBondContact O-CG 3.48Å; L1361-L1364 PolarHBondContact O-N 2.72Å; C1362-L1364 PolarHBondContact O-N 3.38Å; L1364-C1375 HydrophobicContact CD2-CB 4.06Å; L1364-Y1376 HydrophobicContact CD1-CE1 3.99Å; L1364-Y1376 HydrophobicContact CD2-CD1 3.65Å; L1364-Y1376 HydrophobicContact CD2-CD2 3.89Å; L1364-Y1376 HydrophobicContact CD2-CE1 3.57Å; L1364-Y1376 HydrophobicContact CD2-CE2 3.84Å; L1364-Y1376 HydrophobicContact CD2-CG 3.79Å; L1364-Y1376 HydrophobicContact CG-CE1 4.35Å; L1364-L1379 HydrophobicContact CD1-CD1 3.84Å; L1364-L1379 HydrophobicContact CD2-CD1 3.85Å; L1364-L1379 HydrophobicContact CG-CD1 4.13Å; L1364-V1405 HydrophobicContact CD1-CG1 4.25Å; L1364-I1416 HydrophobicContact CB-CB 4.17Å; L1364-I1416 HydrophobicContact CB-CD1 3.93Å; L1364-I1416 HydrophobicContact CB-CG1 4.16Å; L1364-I1416 HydrophobicContact CD1-CD1 3.62Å; L1364-I1416 HydrophobicContact CG-CD1 4.42Å; L1364-I1416 PolarHBondContact O-N 3.44Å; L1364-I1416 VanDerWaalsContact O-N 3.11Å |
| 1365 | S | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -4 | 179 | -60.7 | 0 | 0 | 0 | 0 | 115.1 | C1362 G1363 R1415 I1416 F1418 S1421 | C1362-S1365 WeakPolarHBondContact O-CB 3.18Å; C1362-S1365 PolarHBondContact O-N 3.29Å; G1363-S1365 PolarHBondContact O-N 3.49Å; S1365-R1415 PolarHBondContact O-NE 3.48Å; S1365-R1415 PolarHBondContact O-NH2 3.2Å; S1365-I1416 WeakPolarHBondContact CA-O 3.49Å; S1365-I1416 WeakPolarHBondContact CB-O 3.14Å; S1365-I1416 PolarHBondContact OG-O 3.1Å; S1365-F1418 VanDerWaalsContact OG-CA 3.23Å; S1365-F1418 WeakPolarHBondContact OG-CA 3.43Å; S1365-F1418 PolarHBondContact OG-N 2.85Å; S1365-S1421 VanDerWaalsContact OG-CB 3.31Å; S1365-S1421 WeakPolarHBondContact OG-CB 3.48Å; S1365-S1421 PolarHBondContact OG-OG 2.91Å |
| 1366 | F | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -50.9 | 143 | 177.9 | -80 | -56.6 | 0 | 0 | 0 | 111.6 | F1309 P1310 L1313 P1329 L1333 G1363 L1371 R1372 R1415 | F1309-F1366 HydrophobicContact CD1-CE1 4.08Å; F1309-F1366 HydrophobicContact CD1-CZ 4.25Å; F1309-F1366 HydrophobicContact CE1-CD1 4.05Å; F1309-F1366 HydrophobicContact CE1-CD2 4.28Å; F1309-F1366 AromaticContact CE1-CE1 3.45Å; F1309-F1366 HydrophobicContact CE1-CE1 3.45Å; F1309-F1366 VanDerWaalsContact CE1-CE1 3.45Å; F1309-F1366 AromaticContact CE1-CE2 3.71Å; F1309-F1366 HydrophobicContact CE1-CE2 3.71Å; F1309-F1366 HydrophobicContact CE1-CG 4.42Å; F1309-F1366 AromaticContact CE1-CZ 3.24Å; F1309-F1366 HydrophobicContact CE1-CZ 3.24Å; F1309-F1366 HydrophobicContact CZ-CE1 4.2Å; F1309-F1366 AromaticContact CZ-CE2 3.91Å; F1309-F1366 HydrophobicContact CZ-CE2 3.91Å; F1309-F1366 AromaticContact CZ-CZ 3.55Å; F1309-F1366 HydrophobicContact CZ-CZ 3.55Å; P1310-F1366 HydrophobicContact CG-CE1 4.33Å; P1310-F1366 WeakPolarHBondContact O-CE1 3.47Å; L1313-F1366 HydrophobicContact CB-CE1 4.41Å; P1329-F1366 HydrophobicContact CB-CE2 4.47Å; P1329-F1366 HydrophobicContact CB-CZ 3.8Å; P1329-F1366 HydrophobicContact CG-CE1 4.38Å; P1329-F1366 HydrophobicContact CG-CZ 3.83Å; L1333-F1366 HydrophobicContact CD1-CE2 4.24Å; G1363-F1366 WeakPolarHBondContact O-CD2 3.47Å; G1363-F1366 PolarHBondContact O-N 2.88Å; G1363-F1366 VanDerWaalsContact O-N 3.12Å; F1366-L1371 HydrophobicContact CB-CB 4.31Å; F1366-L1371 HydrophobicContact CD1-CD1 4.16Å; F1366-L1371 HydrophobicContact CD2-CB 3.62Å; F1366-L1371 HydrophobicContact CD2-CD1 4.46Å; F1366-L1371 HydrophobicContact CE1-CD1 4.21Å; F1366-L1371 HydrophobicContact CE2-CB 4.07Å; F1366-L1371 HydrophobicContact CG-CB 3.97Å; F1366-L1371 HydrophobicContact CG-CD1 4.32Å; F1366-L1371 HydrophobicContact CZ-CD1 4.4Å; F1366-R1372 PolarHBondContact O-NH1 2.8Å; F1366-R1372 PolarHBondContact O-NH2 3.31Å; F1366-R1415 PolarHBondContact O-NE 3.41Å | ||
| 1367 | A | 95.1 | Very high | 96.4 | Very high | 39 Ų | 39 | 20.8 Ų | 20.8 | 32% | 0.322 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -69.3 | -43.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | L1311 R1372 | L1311-A1367 WeakPolarHBondContact O-CB 3.31Å; L1311-A1367 PolarHBondContact O-N 3.23Å; A1367-R1372 PolarHBondContact O-NH2 3.09Å; A1367-R1372 VanDerWaalsContact O-NH2 3.14Å |
| 1368 | D | 95.5 | Very high | 96.4 | Very high | 26 Ų | 26 | 20.9 Ų | 20.9 | 14% | 0.139 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -63.4 | 126.5 | 177.8 | -172.9 | 71.7 | 0 | 0 | 0 | 112.1 | L1313 L1315 D1370 L1371 | L1313-D1368 VanDerWaalsContact O-CB 3.32Å; L1313-D1368 WeakPolarHBondContact O-CB 3.4Å; L1315-D1368 PolarHBondContact N-OD2 3.3Å; D1368-D1370 PolarHBondContact OD2-N 3.44Å; D1368-L1371 HydrophobicContact CB-CB 4.41Å; D1368-L1371 HydrophobicContact CB-CD1 4.24Å; D1368-L1371 PolarHBondContact OD2-N 3.09Å |
| 1369 | P | 96.1 | Very high | 96.3 | Very high | 62 Ų | 62 | 21.6 Ų | 21.6 | 40% | 0.403 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -69.5 | -31.2 | -179.8 | 28.1 | -33.2 | 0 | 0 | 0 | 113.1 | R1372 V1373 N1413 | P1369-R1372 WeakPolarHBondContact O-CB 3.28Å; P1369-R1372 PolarHBondContact O-N 3.35Å; P1369-V1373 WeakPolarHBondContact O-CG2 3.3Å; P1369-V1373 PolarHBondContact O-N 2.78Å; P1369-N1413 WeakPolarHBondContact CB-ND2 3.3Å; P1369-N1413 PolarHBondContact O-ND2 2.91Å |
| 1370 | D | 96.1 | Very high | 96.2 | Very high | 90 Ų | 90 | 25.4 Ų | 25.4 | 48% | 0.481 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -75.5 | -46.2 | -173.3 | -59.6 | -39.2 | 0 | 0 | 0 | 111.6 | L1315 D1368 R1372 V1373 V1374 | L1315-D1370 HydrophobicContact CB-CB 4.17Å; L1315-D1370 HydrophobicContact CD2-CB 3.76Å; D1368-D1370 PolarHBondContact OD2-N 3.44Å; D1370-R1372 PolarHBondContact O-N 2.91Å; D1370-V1373 PolarHBondContact O-N 3.18Å; D1370-V1373 VanDerWaalsContact O-N 3.11Å; D1370-V1374 WeakPolarHBondContact O-CG2 3.11Å; D1370-V1374 PolarHBondContact O-N 2.48Å; D1370-V1374 VanDerWaalsContact O-N 3.11Å |
| 1371 | L | 96 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55 | -39.4 | 170.7 | -79.2 | 171.3 | 0 | 0 | 0 | 111.8 | L1313 L1315 R1330 L1333 F1366 D1368 V1374 C1375 | L1313-L1371 HydrophobicContact CB-CD1 4.19Å; L1313-L1371 HydrophobicContact CD2-CD1 4.2Å; L1313-L1371 HydrophobicContact CG-CD1 4.09Å; L1313-L1371 WeakPolarHBondContact O-CD1 3.48Å; L1315-L1371 HydrophobicContact CB-CD2 4.27Å; L1315-L1371 HydrophobicContact CB-CG 3.94Å; L1315-L1371 HydrophobicContact CD1-CD2 3.7Å; L1315-L1371 HydrophobicContact CD1-CG 4.3Å; R1330-L1371 HydrophobicContact CG-CD2 4.45Å; L1333-L1371 HydrophobicContact CD1-CD2 3.89Å; F1366-L1371 HydrophobicContact CB-CB 4.31Å; F1366-L1371 HydrophobicContact CD1-CD1 4.16Å; F1366-L1371 HydrophobicContact CD2-CB 3.62Å; F1366-L1371 HydrophobicContact CD2-CD1 4.46Å; F1366-L1371 HydrophobicContact CE1-CD1 4.21Å; F1366-L1371 HydrophobicContact CE2-CB 4.07Å; F1366-L1371 HydrophobicContact CG-CB 3.97Å; F1366-L1371 HydrophobicContact CG-CD1 4.32Å; F1366-L1371 HydrophobicContact CZ-CD1 4.4Å; D1368-L1371 HydrophobicContact CB-CB 4.41Å; D1368-L1371 HydrophobicContact CB-CD1 4.24Å; D1368-L1371 PolarHBondContact OD2-N 3.09Å; L1371-V1374 PolarHBondContact O-N 3.29Å; L1371-C1375 PolarHBondContact O-N 3.32Å; L1371-C1375 VanDerWaalsContact O-N 3.08Å; L1371-C1375 PolarHBondContact O-SG 3.02Å |
| 1372 | R | 96.3 | Very high | 96 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 6% | 0.057 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 178.9 | -158.6 | -155.6 | -27.8 | -82.9 | -9.2 | 111.9 | F1366 A1367 P1369 D1370 C1375 Y1376 N1413 Q1414 R1415 | F1366-R1372 PolarHBondContact O-NH1 2.8Å; F1366-R1372 PolarHBondContact O-NH2 3.31Å; A1367-R1372 PolarHBondContact O-NH2 3.09Å; A1367-R1372 VanDerWaalsContact O-NH2 3.14Å; P1369-R1372 WeakPolarHBondContact O-CB 3.28Å; P1369-R1372 PolarHBondContact O-N 3.35Å; D1370-R1372 PolarHBondContact O-N 2.91Å; R1372-C1375 PolarHBondContact O-N 3.06Å; R1372-Y1376 HydrophobicContact CG-CD2 4.16Å; R1372-Y1376 HydrophobicContact CG-CE2 3.91Å; R1372-Y1376 VanDerWaalsContact O-CD2 3.29Å; R1372-Y1376 WeakPolarHBondContact O-CD2 3.29Å; R1372-Y1376 PolarHBondContact O-N 2.83Å; R1372-N1413 WeakPolarHBondContact CB-OD1 2.86Å; R1372-N1413 WeakPolarHBondContact CD-O 3.41Å; R1372-N1413 WeakPolarHBondContact CD-OD1 2.88Å; R1372-N1413 WeakPolarHBondContact CG-OD1 3.36Å; R1372-N1413 PolarHBondContact NE-O 3.21Å; R1372-N1413 PolarHBondContact NE-OD1 3.33Å; R1372-Q1414 WeakPolarHBondContact CD-O 3.47Å; R1372-R1415 VanDerWaalsContact NH1-CA 3.28Å |
| 1373 | V | 96.3 | Very high | 95.9 | Very high | 73 Ų | 73 | 28 Ų | 28 | 44% | 0.442 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 174.8 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | P1369 D1370 C1375 Y1376 S1377 N1413 | P1369-V1373 WeakPolarHBondContact O-CG2 3.3Å; P1369-V1373 PolarHBondContact O-N 2.78Å; D1370-V1373 PolarHBondContact O-N 3.18Å; D1370-V1373 VanDerWaalsContact O-N 3.11Å; V1373-C1375 VanDerWaalsContact C-N 3.29Å; V1373-C1375 PolarHBondContact O-N 2.91Å; V1373-Y1376 PolarHBondContact O-N 3.29Å; V1373-S1377 WeakPolarHBondContact O-CB 3.32Å; V1373-S1377 PolarHBondContact O-N 3.19Å; V1373-N1413 HydrophobicContact CG2-CB 4.22Å; V1373-N1413 VanDerWaalsContact CG2-CG 3.45Å; V1373-N1413 WeakPolarHBondContact CG2-ND2 3.38Å; V1373-N1413 PolarHBondContact N-OD1 3Å |
| 1374 | V | 96 | Very high | 95.7 | Very high | 39 Ų | 39 | 33.8 Ų | 33.8 | 24% | 0.236 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | L1333 D1370 L1371 S1377 N1378 | L1333-V1374 HydrophobicContact CB-CG1 3.84Å; L1333-V1374 HydrophobicContact CD1-CG1 4.43Å; D1370-V1374 WeakPolarHBondContact O-CG2 3.11Å; D1370-V1374 PolarHBondContact O-N 2.48Å; D1370-V1374 VanDerWaalsContact O-N 3.11Å; L1371-V1374 PolarHBondContact O-N 3.29Å; V1374-S1377 PolarHBondContact O-N 2.76Å; V1374-N1378 WeakPolarHBondContact O-CB 3.26Å; V1374-N1378 PolarHBondContact O-N 3.39Å |
| 1375 | C | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 174.8 | -63.2 | 0 | 0 | 0 | 0 | 112.6 | L1333 G1363 L1364 L1371 R1372 V1373 S1377 N1378 L1379 | L1333-C1375 VanDerWaalsContact CD1-SG 3.6Å; G1363-C1375 VanDerWaalsContact CA-SG 3.54Å; L1364-C1375 HydrophobicContact CD2-CB 4.06Å; L1371-C1375 PolarHBondContact O-N 3.32Å; L1371-C1375 VanDerWaalsContact O-N 3.08Å; L1371-C1375 PolarHBondContact O-SG 3.02Å; R1372-C1375 PolarHBondContact O-N 3.06Å; V1373-C1375 VanDerWaalsContact C-N 3.29Å; V1373-C1375 PolarHBondContact O-N 2.91Å; C1375-S1377 VanDerWaalsContact C-N 3.35Å; C1375-N1378 PolarHBondContact O-N 3.37Å; C1375-L1379 VanDerWaalsContact O-CG 3.3Å; C1375-L1379 WeakPolarHBondContact O-CG 3.43Å; C1375-L1379 PolarHBondContact O-N 2.97Å |
| 1376 | Y | 96.8 | Very high | 95.3 | Very high | 46 Ų | 46 | 34.9 Ų | 34.9 | 18% | 0.18 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 174.6 | -84.3 | -62.3 | 0 | 0 | 0 | 111.9 | L1364 R1372 V1373 L1379 V1380 V1409 Q1414 | L1364-Y1376 HydrophobicContact CD1-CE1 3.99Å; L1364-Y1376 HydrophobicContact CD2-CD1 3.65Å; L1364-Y1376 HydrophobicContact CD2-CD2 3.89Å; L1364-Y1376 HydrophobicContact CD2-CE1 3.57Å; L1364-Y1376 HydrophobicContact CD2-CE2 3.84Å; L1364-Y1376 HydrophobicContact CD2-CG 3.79Å; L1364-Y1376 HydrophobicContact CG-CE1 4.35Å; R1372-Y1376 HydrophobicContact CG-CD2 4.16Å; R1372-Y1376 HydrophobicContact CG-CE2 3.91Å; R1372-Y1376 VanDerWaalsContact O-CD2 3.29Å; R1372-Y1376 WeakPolarHBondContact O-CD2 3.29Å; R1372-Y1376 PolarHBondContact O-N 2.83Å; V1373-Y1376 PolarHBondContact O-N 3.29Å; Y1376-L1379 WeakPolarHBondContact O-CB 3.17Å; Y1376-L1379 PolarHBondContact O-N 3.39Å; Y1376-V1380 PolarHBondContact O-N 3.08Å; Y1376-V1409 HydrophobicContact CE1-CG2 4.05Å; Y1376-Q1414 PolarHBondContact OH-O 3.47Å |
| 1377 | S | 95.8 | Very high | 95 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 29% | 0.294 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.8 | -52.9 | 175.8 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | R1341 V1373 V1374 C1375 L1379 V1380 D1381 | R1341-S1377 PolarHBondContact NH2-OG 2.79Å; V1373-S1377 WeakPolarHBondContact O-CB 3.32Å; V1373-S1377 PolarHBondContact O-N 3.19Å; V1374-S1377 PolarHBondContact O-N 2.76Å; C1375-S1377 VanDerWaalsContact C-N 3.35Å; S1377-L1379 PolarHBondContact O-N 3.42Å; S1377-V1380 WeakPolarHBondContact O-CA 3.18Å; S1377-V1380 WeakPolarHBondContact O-CB 3.06Å; S1377-V1380 PolarHBondContact O-N 2.78Å; S1377-D1381 PolarHBondContact O-N 2.7Å; S1377-D1381 PolarHBondContact OG-OD2 3.24Å |
| 1378 | N | 95.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -27.9 | -179.6 | -73.6 | 0.8 | 0 | 0 | 0 | 112.7 | L1333 G1337 L1360 V1374 C1375 F1382 | L1333-N1378 PolarHBondContact O-ND2 3.47Å; G1337-N1378 VanDerWaalsContact CA-OD1 3.31Å; G1337-N1378 WeakPolarHBondContact CA-OD1 3.38Å; L1360-N1378 HydrophobicContact CD1-CB 3.88Å; L1360-N1378 HydrophobicContact CD2-CB 3.74Å; L1360-N1378 HydrophobicContact CG-CB 4.46Å; V1374-N1378 WeakPolarHBondContact O-CB 3.26Å; V1374-N1378 PolarHBondContact O-N 3.39Å; C1375-N1378 PolarHBondContact O-N 3.37Å; N1378-F1382 VanDerWaalsContact O-CB 3.28Å; N1378-F1382 WeakPolarHBondContact O-CB 3.45Å; N1378-F1382 PolarHBondContact O-N 2.63Å |
| 1379 | L | 95.9 | Very high | 94.3 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.6 | -34.3 | 172.5 | -76.1 | 170.4 | 0 | 0 | 0 | 112.3 | L1357 L1360 L1361 L1364 C1375 Y1376 S1377 H1383 L1402 | L1357-L1379 HydrophobicContact CD1-CD2 3.72Å; L1360-L1379 HydrophobicContact CB-CD2 3.82Å; L1360-L1379 HydrophobicContact CB-CG 4.07Å; L1360-L1379 HydrophobicContact CD1-CD2 4.22Å; L1361-L1379 HydrophobicContact CD2-CD1 4.18Å; L1361-L1379 HydrophobicContact CD2-CD2 4.05Å; L1361-L1379 HydrophobicContact CG-CD2 4.35Å; L1364-L1379 HydrophobicContact CD1-CD1 3.84Å; L1364-L1379 HydrophobicContact CD2-CD1 3.85Å; L1364-L1379 HydrophobicContact CG-CD1 4.13Å; C1375-L1379 VanDerWaalsContact O-CG 3.3Å; C1375-L1379 WeakPolarHBondContact O-CG 3.43Å; C1375-L1379 PolarHBondContact O-N 2.97Å; Y1376-L1379 WeakPolarHBondContact O-CB 3.17Å; Y1376-L1379 PolarHBondContact O-N 3.39Å; S1377-L1379 PolarHBondContact O-N 3.42Å; L1379-H1383 VanDerWaalsContact O-CB 3.27Å; L1379-H1383 WeakPolarHBondContact O-CB 3.04Å; L1379-H1383 PolarHBondContact O-N 3.43Å; L1379-L1402 HydrophobicContact CD2-CD2 4.07Å |
| 1380 | V | 94.6 | Very high | 93.8 | Very high | 80 Ų | 80 | 46.2 Ų | 46.2 | 49% | 0.485 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.5 | -49.4 | 172 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | Y1376 S1377 F1382 H1383 E1384 | Y1376-V1380 PolarHBondContact O-N 3.08Å; S1377-V1380 WeakPolarHBondContact O-CA 3.18Å; S1377-V1380 WeakPolarHBondContact O-CB 3.06Å; S1377-V1380 PolarHBondContact O-N 2.78Å; V1380-F1382 VanDerWaalsContact C-N 3.32Å; V1380-F1382 PolarHBondContact O-N 3.16Å; V1380-H1383 WeakPolarHBondContact O-CB 3.17Å; V1380-H1383 PolarHBondContact O-N 3.33Å; V1380-E1384 PolarHBondContact O-N 3.09Å |
| 1381 | D | 94.3 | Very high | 93.3 | Very high | 20 Ų | 20 | 49 Ų | 49 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 178 | -59 | -58.2 | 0 | 0 | 0 | 110.9 | L1340 R1341 S1377 H1383 E1384 A1385 | L1340-D1381 HydrophobicContact CB-CB 3.99Å; R1341-D1381 HydrophobicContact CG-CB 4.29Å; R1341-D1381 IonicContact CZ-OD1 3.83Å; R1341-D1381 IonicContact CZ-OD2 3.55Å; R1341-D1381 VanDerWaalsContact CZ-OD2 3.23Å; R1341-D1381 VanDerWaalsContact NE-CG 3.29Å; R1341-D1381 IonicContact NE-OD1 2.99Å; R1341-D1381 PolarHBondContact NE-OD1 3.23Å; R1341-D1381 IonicContact NE-OD2 2.95Å; R1341-D1381 PolarHBondContact NE-OD2 2.97Å; R1341-D1381 VanDerWaalsContact NE-OD2 3.13Å; R1341-D1381 IonicContact NH2-OD1 3.84Å; R1341-D1381 PolarHBondContact NH2-OD1 3.02Å; R1341-D1381 IonicContact NH2-OD2 2.62Å; R1341-D1381 PolarHBondContact NH2-OD2 3.33Å; S1377-D1381 PolarHBondContact O-N 2.7Å; S1377-D1381 PolarHBondContact OG-OD2 3.24Å; D1381-H1383 PolarHBondContact O-N 3.25Å; D1381-E1384 PolarHBondContact O-N 3.03Å; D1381-A1385 WeakPolarHBondContact O-CB 3.37Å; D1381-A1385 PolarHBondContact O-N 3.31Å |
| 1382 | F | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 174.5 | 178.5 | -96.8 | 0 | 0 | 0 | 112.7 | L1340 C1348 F1351 V1352 L1357 N1378 V1380 E1384 A1385 L1386 L1402 | L1340-F1382 HydrophobicContact CD1-CB 3.87Å; L1340-F1382 HydrophobicContact CD2-CB 4.15Å; L1340-F1382 HydrophobicContact CD2-CD2 3.75Å; L1340-F1382 HydrophobicContact CD2-CG 4.45Å; C1348-F1382 HydrophobicContact CB-CE2 4.32Å; F1351-F1382 HydrophobicContact CB-CE2 4.27Å; F1351-F1382 AromaticContact CD1-CD2 3.64Å; F1351-F1382 HydrophobicContact CD1-CD2 3.64Å; F1351-F1382 AromaticContact CD1-CE2 3.48Å; F1351-F1382 HydrophobicContact CD1-CE2 3.48Å; F1351-F1382 VanDerWaalsContact CD1-CE2 3.48Å; F1351-F1382 HydrophobicContact CD1-CZ 4.41Å; F1351-F1382 AromaticContact CE1-CD2 3.75Å; F1351-F1382 HydrophobicContact CE1-CD2 3.75Å; F1351-F1382 HydrophobicContact CE1-CE2 4.06Å; F1351-F1382 HydrophobicContact CE1-CG 4.46Å; F1351-F1382 HydrophobicContact CG-CD2 4.26Å; F1351-F1382 HydrophobicContact CG-CE2 4.05Å; F1351-F1382 HydrophobicContact CZ-CD2 4.45Å; V1352-F1382 HydrophobicContact CG2-CE2 4.5Å; V1352-F1382 HydrophobicContact CG2-CZ 3.88Å; L1357-F1382 HydrophobicContact CD1-CD1 3.51Å; L1357-F1382 HydrophobicContact CD1-CE1 3.62Å; L1357-F1382 HydrophobicContact CD1-CG 4.06Å; L1357-F1382 HydrophobicContact CD1-CZ 4.26Å; L1357-F1382 HydrophobicContact CD2-CD1 4.3Å; L1357-F1382 HydrophobicContact CD2-CE1 3.53Å; L1357-F1382 HydrophobicContact CD2-CZ 3.84Å; L1357-F1382 HydrophobicContact CG-CD1 4.47Å; L1357-F1382 HydrophobicContact CG-CE1 4.12Å; L1357-F1382 HydrophobicContact CG-CZ 4.45Å; N1378-F1382 VanDerWaalsContact O-CB 3.28Å; N1378-F1382 WeakPolarHBondContact O-CB 3.45Å; N1378-F1382 PolarHBondContact O-N 2.63Å; V1380-F1382 VanDerWaalsContact C-N 3.32Å; V1380-F1382 PolarHBondContact O-N 3.16Å; F1382-E1384 VanDerWaalsContact C-N 3.29Å; F1382-E1384 PolarHBondContact O-N 3.1Å; F1382-A1385 PolarHBondContact O-N 2.82Å; F1382-L1386 HydrophobicContact CE1-CB 4.25Å; F1382-L1386 HydrophobicContact CE1-CD2 3.92Å; F1382-L1386 HydrophobicContact CZ-CB 4.43Å; F1382-L1386 HydrophobicContact CZ-CD1 4.46Å; F1382-L1386 HydrophobicContact CZ-CD2 4.41Å; F1382-L1386 WeakPolarHBondContact O-CB 3.33Å; F1382-L1386 PolarHBondContact O-N 3.44Å; F1382-L1402 HydrophobicContact CD1-CD1 3.76Å; F1382-L1402 HydrophobicContact CE1-CD1 3.91Å |
| 1383 | H | 94.7 | Very high | 92.7 | Very high | 35 Ų | 35 | 54 Ų | 54 | 16% | 0.162 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 177.8 | 178 | -118.7 | 0 | 0 | 0 | 111.8 | L1379 V1380 D1381 K1387 L1402 | L1379-H1383 VanDerWaalsContact O-CB 3.27Å; L1379-H1383 WeakPolarHBondContact O-CB 3.04Å; L1379-H1383 PolarHBondContact O-N 3.43Å; V1380-H1383 WeakPolarHBondContact O-CB 3.17Å; V1380-H1383 PolarHBondContact O-N 3.33Å; D1381-H1383 PolarHBondContact O-N 3.25Å; H1383-K1387 WeakPolarHBondContact CE1-CE 3.46Å; H1383-K1387 WeakPolarHBondContact O-CG 3.36Å; H1383-K1387 PolarHBondContact O-N 2.73Å; H1383-L1402 HydrophobicContact CB-CD1 4.09Å |
| 1384 | E | 92.2 | Very high | 92.5 | Very high | 122 Ų | 122 | 51.1 Ų | 51.1 | 57% | 0.57 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -69.9 | -48.6 | 173.2 | -69.4 | 179.6 | -180 | 0 | 0 | 111.9 | V1380 D1381 F1382 L1386 K1387 G1388 | V1380-E1384 PolarHBondContact O-N 3.09Å; D1381-E1384 PolarHBondContact O-N 3.03Å; F1382-E1384 VanDerWaalsContact C-N 3.29Å; F1382-E1384 PolarHBondContact O-N 3.1Å; E1384-L1386 VanDerWaalsContact C-N 3.28Å; E1384-L1386 PolarHBondContact O-N 2.88Å; E1384-K1387 WeakPolarHBondContact O-CB 2.94Å; E1384-K1387 PolarHBondContact O-N 3.45Å; E1384-K1387 VanDerWaalsContact O-N 3.12Å; E1384-G1388 PolarHBondContact O-N 3.28Å |
| 1385 | A | 92 | Very high | 92.4 | Very high | 24 Ų | 24 | 50.3 Ų | 50.3 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1340 D1381 F1382 K1387 G1388 S1389 | L1340-A1385 HydrophobicContact CD2-CB 4.36Å; D1381-A1385 WeakPolarHBondContact O-CB 3.37Å; D1381-A1385 PolarHBondContact O-N 3.31Å; F1382-A1385 PolarHBondContact O-N 2.82Å; A1385-K1387 PolarHBondContact O-N 3.46Å; A1385-G1388 CarbonylContact O-C 3.58Å; A1385-G1388 PolarHBondContact O-N 3.32Å; A1385-S1389 WeakPolarHBondContact O-CB 3.44Å; A1385-S1389 PolarHBondContact O-N 2.84Å |
| 1386 | L | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -35.5 | 177.7 | -179 | 64.8 | 0 | 0 | 0 | 112.5 | C1348 F1382 E1384 S1389 F1392 K1395 L1398 L1399 L1402 | C1348-L1386 HydrophobicContact CB-CD1 4.07Å; F1382-L1386 HydrophobicContact CE1-CB 4.25Å; F1382-L1386 HydrophobicContact CE1-CD2 3.92Å; F1382-L1386 HydrophobicContact CZ-CB 4.43Å; F1382-L1386 HydrophobicContact CZ-CD1 4.46Å; F1382-L1386 HydrophobicContact CZ-CD2 4.41Å; F1382-L1386 WeakPolarHBondContact O-CB 3.33Å; F1382-L1386 PolarHBondContact O-N 3.44Å; E1384-L1386 VanDerWaalsContact C-N 3.28Å; E1384-L1386 PolarHBondContact O-N 2.88Å; L1386-S1389 PolarHBondContact O-OG 3.11Å; L1386-F1392 HydrophobicContact CD1-CE1 3.72Å; L1386-F1392 HydrophobicContact CD1-CZ 3.45Å; L1386-F1392 VanDerWaalsContact CD1-CZ 3.45Å; L1386-K1395 HydrophobicContact CD1-CG 4.04Å; L1386-K1395 HydrophobicContact CG-CG 4.39Å; L1386-K1395 WeakPolarHBondContact O-CE 3.22Å; L1386-K1395 PolarHBondContact O-NZ 2.79Å; L1386-L1398 HydrophobicContact CD1-CD1 4.3Å; L1386-L1398 HydrophobicContact CD2-CB 3.59Å; L1386-L1398 HydrophobicContact CD2-CD1 4.45Å; L1386-L1399 HydrophobicContact CB-CD2 4.47Å; L1386-L1399 HydrophobicContact CD2-CD2 3.81Å; L1386-L1399 HydrophobicContact CD2-CG 3.87Å; L1386-L1399 HydrophobicContact CG-CD2 4Å; L1386-L1399 HydrophobicContact CG-CG 4.17Å; L1386-L1402 HydrophobicContact CD2-CD1 4.12Å |
| 1387 | K | 91.1 | Very high | 92 | Very high | 121 Ų | 121 | 54.1 Ų | 54.1 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 174.2 | -76 | 172.5 | 179.6 | 178.5 | 0 | 110.8 | H1383 E1384 A1385 K1395 L1399 | H1383-K1387 WeakPolarHBondContact CE1-CE 3.46Å; H1383-K1387 WeakPolarHBondContact O-CG 3.36Å; H1383-K1387 PolarHBondContact O-N 2.73Å; E1384-K1387 WeakPolarHBondContact O-CB 2.94Å; E1384-K1387 PolarHBondContact O-N 3.45Å; E1384-K1387 VanDerWaalsContact O-N 3.12Å; A1385-K1387 PolarHBondContact O-N 3.46Å; K1387-K1395 PolarHBondContact O-NZ 3.01Å; K1387-L1399 HydrophobicContact CG-CD2 3.8Å |
| 1388 | G | 86.8 | Confident | 91.9 | Very high | 69 Ų | 69 | 52.2 Ų | 52.2 | 71% | 0.711 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -76.9 | -14.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | E1384 A1385 | E1384-G1388 PolarHBondContact O-N 3.28Å; A1385-G1388 CarbonylContact O-C 3.58Å; A1385-G1388 PolarHBondContact O-N 3.32Å |
| 1389 | S | 88.9 | Confident | 91.9 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -67.2 | 160.6 | -177.4 | 82.5 | 0 | 0 | 0 | 0 | 112.7 | A1385 L1386 K1395 | A1385-S1389 WeakPolarHBondContact O-CB 3.44Å; A1385-S1389 PolarHBondContact O-N 2.84Å; L1386-S1389 PolarHBondContact O-OG 3.11Å; S1389-K1395 PolarHBondContact O-NZ 3.32Å |
| 1390 | E | 85.9 | Confident | 91.8 | Very high | 165 Ų | 165 | 57.3 Ų | 57.3 | 77% | 0.771 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 152.3 | 165.7 | -63.8 | -179.2 | 178.6 | 0 | 0 | 111.5 | F1392 | E1390-F1392 WeakPolarHBondContact O-CD1 3.22Å; E1390-F1392 PolarHBondContact O-N 3.49Å |
| 1391 | N | 85 | Confident | 91.8 | Very high | 148 Ų | 148 | 53.6 Ų | 53.6 | 79% | 0.791 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 122.7 | 177.9 | -79.4 | -20.1 | 0 | 0 | 0 | 110.2 | K1395 | N1391-K1395 PolarHBondContact OD1-NZ 3.28Š|
| 1392 | F | 91.4 | Very high | 91.8 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | trans | -128.4 | 159.8 | 168.9 | 60.2 | -90.5 | 0 | 0 | 0 | 109.5 | C1348 R1349 L1386 E1390 E1394 K1395 L1398 | C1348-F1392 HydrophobicContact CB-CE1 3.89Å; C1348-F1392 HydrophobicContact CB-CZ 4.21Å; R1349-F1392 HydrophobicContact CB-CD1 4.23Å; R1349-F1392 HydrophobicContact CB-CD2 4.12Å; R1349-F1392 HydrophobicContact CB-CE1 4.44Å; R1349-F1392 HydrophobicContact CB-CE2 4.31Å; R1349-F1392 HydrophobicContact CB-CG 4.07Å; R1349-F1392 HydrophobicContact CB-CZ 4.45Å; R1349-F1392 HydrophobicContact CG-CD2 4.08Å; R1349-F1392 HydrophobicContact CG-CE2 4.44Å; R1349-F1392 HydrophobicContact CG-CG 4.35Å; L1386-F1392 HydrophobicContact CD1-CE1 3.72Å; L1386-F1392 HydrophobicContact CD1-CZ 3.45Å; L1386-F1392 VanDerWaalsContact CD1-CZ 3.45Å; E1390-F1392 WeakPolarHBondContact O-CD1 3.22Å; E1390-F1392 PolarHBondContact O-N 3.49Å; F1392-E1394 HydrophobicContact CD2-CB 4.21Å; F1392-E1394 VanDerWaalsContact CD2-OE2 3.32Å; F1392-E1394 WeakPolarHBondContact CD2-OE2 3.27Å; F1392-E1394 HydrophobicContact CE2-CB 4.12Å; F1392-E1394 PolarHBondContact O-N 2.92Å; F1392-K1395 HydrophobicContact CD1-CB 4.27Å; F1392-K1395 HydrophobicContact CD2-CB 4.29Å; F1392-K1395 HydrophobicContact CE1-CB 4.11Å; F1392-K1395 HydrophobicContact CE2-CB 4.16Å; F1392-K1395 HydrophobicContact CG-CB 4.36Å; F1392-K1395 HydrophobicContact CZ-CB 4.07Å; F1392-K1395 VanDerWaalsContact O-CB 3.31Å; F1392-K1395 WeakPolarHBondContact O-CB 3.18Å; F1392-K1395 PolarHBondContact O-N 2.87Å; F1392-K1395 VanDerWaalsContact O-N 3.07Å; F1392-L1398 HydrophobicContact CE2-CD1 3.61Å; F1392-L1398 HydrophobicContact CZ-CD1 3.74Å | ||
| 1393 | A | 88.6 | Confident | 91.7 | Very high | 82 Ų | 82 | 55.1 Ų | 55.1 | 68% | 0.678 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -34.1 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q1397 | A1393-Q1397 PolarHBondContact O-OE1 2.84Š|
| 1394 | E | 92 | Very high | 91.6 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -6.3 | -174.1 | -52.7 | 86.3 | 165.3 | 0 | 0 | 113.7 | R1349 F1392 S1396 Q1397 L1398 F1431 I1432 | R1349-E1394 IonicContact NE-OE1 3.14Å; R1349-E1394 IonicContact NE-OE2 2.93Å; R1349-E1394 IonicContact NH2-OE1 3.29Å; F1392-E1394 HydrophobicContact CD2-CB 4.21Å; F1392-E1394 VanDerWaalsContact CD2-OE2 3.32Å; F1392-E1394 WeakPolarHBondContact CD2-OE2 3.27Å; F1392-E1394 HydrophobicContact CE2-CB 4.12Å; F1392-E1394 PolarHBondContact O-N 2.92Å; E1394-S1396 VanDerWaalsContact C-N 3.33Å; E1394-S1396 PolarHBondContact O-N 2.74Å; E1394-Q1397 VanDerWaalsContact C-OE1 3.25Å; E1394-Q1397 PolarHBondContact O-N 3.37Å; E1394-Q1397 PolarHBondContact O-OE1 3.25Å; E1394-L1398 HydrophobicContact CB-CD1 4.48Å; E1394-L1398 WeakPolarHBondContact O-CG 3.45Å; E1394-L1398 PolarHBondContact O-N 3.09Å; E1394-F1431 HydrophobicContact CB-CB 4.5Å; E1394-F1431 HydrophobicContact CG-CB 4.48Å; E1394-F1431 WeakPolarHBondContact CG-O 3.5Å; E1394-I1432 HydrophobicContact CG-CG1 4.38Å |
| 1395 | K | 93.7 | Very high | 91.7 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 10% | 0.096 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55 | -44 | -171.9 | 176.1 | 172.7 | 170.7 | 169.4 | 0 | 112.9 | L1386 K1387 S1389 N1391 F1392 Q1397 L1398 L1399 | L1386-K1395 HydrophobicContact CD1-CG 4.04Å; L1386-K1395 HydrophobicContact CG-CG 4.39Å; L1386-K1395 WeakPolarHBondContact O-CE 3.22Å; L1386-K1395 PolarHBondContact O-NZ 2.79Å; K1387-K1395 PolarHBondContact O-NZ 3.01Å; S1389-K1395 PolarHBondContact O-NZ 3.32Å; N1391-K1395 PolarHBondContact OD1-NZ 3.28Å; F1392-K1395 HydrophobicContact CD1-CB 4.27Å; F1392-K1395 HydrophobicContact CD2-CB 4.29Å; F1392-K1395 HydrophobicContact CE1-CB 4.11Å; F1392-K1395 HydrophobicContact CE2-CB 4.16Å; F1392-K1395 HydrophobicContact CG-CB 4.36Å; F1392-K1395 HydrophobicContact CZ-CB 4.07Å; F1392-K1395 VanDerWaalsContact O-CB 3.31Å; F1392-K1395 WeakPolarHBondContact O-CB 3.18Å; F1392-K1395 PolarHBondContact O-N 2.87Å; F1392-K1395 VanDerWaalsContact O-N 3.07Å; K1395-Q1397 PolarHBondContact O-N 3.2Å; K1395-L1398 PolarHBondContact O-N 3.48Å; K1395-L1399 HydrophobicContact CG-CD1 4.13Å; K1395-L1399 WeakPolarHBondContact O-CG 3.38Å; K1395-L1399 PolarHBondContact O-N 2.86Å |
| 1396 | S | 91.8 | Very high | 91.8 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 57% | 0.566 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.3 | -40.1 | -178.2 | 70.5 | 0 | 0 | 0 | 0 | 112.8 | E1394 L1399 F1400 | E1394-S1396 VanDerWaalsContact C-N 3.33Å; E1394-S1396 PolarHBondContact O-N 2.74Å; S1396-L1399 PolarHBondContact O-N 3.02Å; S1396-F1400 WeakPolarHBondContact O-CB 3.48Å; S1396-F1400 PolarHBondContact O-N 3.35Å |
| 1397 | Q | 92.4 | Very high | 91.8 | Very high | 45 Ų | 45 | 60.1 Ų | 60.1 | 21% | 0.21 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 178.4 | -62.8 | 85.6 | -25.7 | 0 | 0 | 110.7 | A1393 E1394 K1395 F1400 L1401 F1431 | A1393-Q1397 PolarHBondContact O-OE1 2.84Å; E1394-Q1397 VanDerWaalsContact C-OE1 3.25Å; E1394-Q1397 PolarHBondContact O-N 3.37Å; E1394-Q1397 PolarHBondContact O-OE1 3.25Å; K1395-Q1397 PolarHBondContact O-N 3.2Å; Q1397-F1400 PolarHBondContact O-N 3.44Å; Q1397-L1401 WeakPolarHBondContact O-CB 3.13Å; Q1397-L1401 PolarHBondContact O-N 2.84Å; Q1397-F1431 HydrophobicContact CB-CD1 4.19Å; Q1397-F1431 HydrophobicContact CB-CD2 3.87Å; Q1397-F1431 HydrophobicContact CB-CE1 4.26Å; Q1397-F1431 HydrophobicContact CB-CE2 3.92Å; Q1397-F1431 HydrophobicContact CB-CG 4Å; Q1397-F1431 HydrophobicContact CB-CZ 4.12Å |
| 1398 | L | 94.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 175.5 | -67 | 174.9 | 0 | 0 | 0 | 111.9 | V1352 L1357 L1386 F1392 E1394 K1395 F1400 L1401 L1402 L1428 F1431 | V1352-L1398 HydrophobicContact CG2-CD1 3.86Å; V1352-L1398 HydrophobicContact CG2-CD2 4.5Å; L1357-L1398 HydrophobicContact CD2-CD2 4.04Å; L1386-L1398 HydrophobicContact CD1-CD1 4.3Å; L1386-L1398 HydrophobicContact CD2-CB 3.59Å; L1386-L1398 HydrophobicContact CD2-CD1 4.45Å; F1392-L1398 HydrophobicContact CE2-CD1 3.61Å; F1392-L1398 HydrophobicContact CZ-CD1 3.74Å; E1394-L1398 HydrophobicContact CB-CD1 4.48Å; E1394-L1398 WeakPolarHBondContact O-CG 3.45Å; E1394-L1398 PolarHBondContact O-N 3.09Å; K1395-L1398 PolarHBondContact O-N 3.48Å; L1398-F1400 VanDerWaalsContact C-N 3.31Å; L1398-F1400 PolarHBondContact O-N 3.26Å; L1398-L1401 PolarHBondContact O-N 2.66Å; L1398-L1402 WeakPolarHBondContact O-CG 2.95Å; L1398-L1402 PolarHBondContact O-N 3.28Å; L1398-L1428 HydrophobicContact CD2-CD2 3.38Å; L1398-F1431 HydrophobicContact CD2-CD2 4.13Å |
| 1399 | L | 94.9 | Very high | 92.2 | Very high | 44 Ų | 44 | 53.2 Ų | 53.2 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 175.6 | -74.4 | 170.9 | 0 | 0 | 0 | 111.3 | L1386 K1387 K1395 S1396 A1403 | L1386-L1399 HydrophobicContact CB-CD2 4.47Å; L1386-L1399 HydrophobicContact CD2-CD2 3.81Å; L1386-L1399 HydrophobicContact CD2-CG 3.87Å; L1386-L1399 HydrophobicContact CG-CD2 4Å; L1386-L1399 HydrophobicContact CG-CG 4.17Å; K1387-L1399 HydrophobicContact CG-CD2 3.8Å; K1395-L1399 HydrophobicContact CG-CD1 4.13Å; K1395-L1399 WeakPolarHBondContact O-CG 3.38Å; K1395-L1399 PolarHBondContact O-N 2.86Å; S1396-L1399 PolarHBondContact O-N 3.02Å; L1399-A1403 WeakPolarHBondContact O-CB 2.82Å; L1399-A1403 PolarHBondContact O-N 3.26Å |
| 1400 | F | 93.6 | Very high | 92.3 | Very high | 81 Ų | 81 | 56.9 Ų | 56.9 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 177 | -179.1 | -118.4 | 0 | 0 | 0 | 112.4 | S1396 Q1397 L1398 L1402 A1403 L1404 L1446 L1447 | S1396-F1400 WeakPolarHBondContact O-CB 3.48Å; S1396-F1400 PolarHBondContact O-N 3.35Å; Q1397-F1400 PolarHBondContact O-N 3.44Å; L1398-F1400 VanDerWaalsContact C-N 3.31Å; L1398-F1400 PolarHBondContact O-N 3.26Å; F1400-L1402 PolarHBondContact O-N 3.37Å; F1400-A1403 PolarHBondContact O-N 3.46Å; F1400-L1404 HydrophobicContact CD1-CD1 3.96Å; F1400-L1404 HydrophobicContact CD2-CG 4.49Å; F1400-L1404 HydrophobicContact CE1-CD1 3.49Å; F1400-L1404 VanDerWaalsContact CE1-CD1 3.49Å; F1400-L1404 HydrophobicContact CE1-CG 4.19Å; F1400-L1404 HydrophobicContact CE2-CD1 4.29Å; F1400-L1404 HydrophobicContact CE2-CD2 4.26Å; F1400-L1404 HydrophobicContact CE2-CG 4.11Å; F1400-L1404 HydrophobicContact CZ-CD1 3.66Å; F1400-L1404 HydrophobicContact CZ-CD2 4.09Å; F1400-L1404 HydrophobicContact CZ-CG 3.95Å; F1400-L1404 WeakPolarHBondContact O-CG 3.32Å; F1400-L1404 PolarHBondContact O-N 2.99Å; F1400-L1446 HydrophobicContact CE1-CB 3.86Å; F1400-L1446 WeakPolarHBondContact CE1-O 3.41Å; F1400-L1446 WeakPolarHBondContact CZ-O 3.33Å; F1400-L1447 HydrophobicContact CE1-CD2 3.98Å; F1400-L1447 HydrophobicContact CZ-CD2 4Å |
| 1401 | L | 94.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 178.6 | -176.9 | 68.5 | 0 | 0 | 0 | 111.7 | Q1397 L1398 A1403 L1404 V1405 L1424 L1427 L1428 F1431 L1446 F1452 | Q1397-L1401 WeakPolarHBondContact O-CB 3.13Å; Q1397-L1401 PolarHBondContact O-N 2.84Å; L1398-L1401 PolarHBondContact O-N 2.66Å; L1401-A1403 VanDerWaalsContact C-N 3.34Å; L1401-A1403 PolarHBondContact O-N 3.44Å; L1401-L1404 WeakPolarHBondContact O-CB 3.4Å; L1401-L1404 PolarHBondContact O-N 2.92Å; L1401-V1405 WeakPolarHBondContact O-CG2 3.43Å; L1401-V1405 PolarHBondContact O-N 3.35Å; L1401-L1424 HydrophobicContact CD1-CD2 3.87Å; L1401-L1427 HydrophobicContact CD1-CD1 4.03Å; L1401-L1428 HydrophobicContact CD2-CD2 3.59Å; L1401-L1428 HydrophobicContact CD2-CG 4.39Å; L1401-F1431 HydrophobicContact CB-CE2 4.03Å; L1401-F1431 HydrophobicContact CD2-CE2 3.84Å; L1401-F1431 HydrophobicContact CG-CE2 4.41Å; L1401-L1446 HydrophobicContact CD1-CD1 4.47Å; L1401-L1446 HydrophobicContact CD1-CD2 3.99Å; L1401-F1452 HydrophobicContact CD1-CE2 4.37Å; L1401-F1452 HydrophobicContact CD1-CZ 4.03Å |
| 1402 | L | 94.7 | Very high | 92.8 | Very high | 14 Ų | 14 | 59.3 Ų | 59.3 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 177.7 | -68.8 | 173.2 | 0 | 0 | 0 | 111.6 | L1357 L1379 F1382 H1383 L1386 L1398 F1400 V1405 R1406 | L1357-L1402 HydrophobicContact CD1-CD2 4.44Å; L1379-L1402 HydrophobicContact CD2-CD2 4.07Å; F1382-L1402 HydrophobicContact CD1-CD1 3.76Å; F1382-L1402 HydrophobicContact CE1-CD1 3.91Å; H1383-L1402 HydrophobicContact CB-CD1 4.09Å; L1386-L1402 HydrophobicContact CD2-CD1 4.12Å; L1398-L1402 WeakPolarHBondContact O-CG 2.95Å; L1398-L1402 PolarHBondContact O-N 3.28Å; F1400-L1402 PolarHBondContact O-N 3.37Å; L1402-V1405 PolarHBondContact O-N 3.23Å; L1402-R1406 WeakPolarHBondContact O-CB 3.4Å; L1402-R1406 PolarHBondContact O-N 3.01Å |
| 1403 | A | 92.9 | Very high | 92.9 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 32% | 0.322 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1399 F1400 L1401 R1406 Q1407 | L1399-A1403 WeakPolarHBondContact O-CB 2.82Å; L1399-A1403 PolarHBondContact O-N 3.26Å; F1400-A1403 PolarHBondContact O-N 3.46Å; L1401-A1403 VanDerWaalsContact C-N 3.34Å; L1401-A1403 PolarHBondContact O-N 3.44Å; A1403-R1406 PolarHBondContact O-N 3.39Å; A1403-Q1407 VanDerWaalsContact O-CB 3.31Å; A1403-Q1407 WeakPolarHBondContact O-CB 3.37Å; A1403-Q1407 PolarHBondContact O-N 3.36Å |
| 1404 | L | 93.5 | Very high | 93.2 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 175.6 | -74.8 | 176.2 | 0 | 0 | 0 | 112 | F1400 L1401 R1406 Q1407 S1408 L1446 P1450 F1452 | F1400-L1404 HydrophobicContact CD1-CD1 3.96Å; F1400-L1404 HydrophobicContact CD2-CG 4.49Å; F1400-L1404 HydrophobicContact CE1-CD1 3.49Å; F1400-L1404 VanDerWaalsContact CE1-CD1 3.49Å; F1400-L1404 HydrophobicContact CE1-CG 4.19Å; F1400-L1404 HydrophobicContact CE2-CD1 4.29Å; F1400-L1404 HydrophobicContact CE2-CD2 4.26Å; F1400-L1404 HydrophobicContact CE2-CG 4.11Å; F1400-L1404 HydrophobicContact CZ-CD1 3.66Å; F1400-L1404 HydrophobicContact CZ-CD2 4.09Å; F1400-L1404 HydrophobicContact CZ-CG 3.95Å; F1400-L1404 WeakPolarHBondContact O-CG 3.32Å; F1400-L1404 PolarHBondContact O-N 2.99Å; L1401-L1404 WeakPolarHBondContact O-CB 3.4Å; L1401-L1404 PolarHBondContact O-N 2.92Å; L1404-R1406 VanDerWaalsContact C-N 3.35Å; L1404-R1406 PolarHBondContact O-N 3.19Å; L1404-Q1407 PolarHBondContact O-N 3.01Å; L1404-S1408 WeakPolarHBondContact O-CB 3.08Å; L1404-S1408 PolarHBondContact O-N 3.37Å; L1404-S1408 PolarHBondContact O-OG 3.46Å; L1404-L1446 HydrophobicContact CD1-CB 4.03Å; L1404-L1446 HydrophobicContact CD1-CD2 3.91Å; L1404-P1450 WeakPolarHBondContact CD2-O 3.28Å; L1404-F1452 HydrophobicContact CB-CD2 4.31Å; L1404-F1452 HydrophobicContact CB-CE2 3.7Å; L1404-F1452 HydrophobicContact CB-CZ 4.25Å; L1404-F1452 HydrophobicContact CD1-CE2 4.42Å; L1404-F1452 HydrophobicContact CD1-CZ 4.15Å |
| 1405 | V | 93.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 61 Ų | 61 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 110 | L1364 L1401 L1402 Q1407 S1408 V1409 L1424 F1452 | L1364-V1405 HydrophobicContact CD1-CG1 4.25Å; L1401-V1405 WeakPolarHBondContact O-CG2 3.43Å; L1401-V1405 PolarHBondContact O-N 3.35Å; L1402-V1405 PolarHBondContact O-N 3.23Å; V1405-Q1407 VanDerWaalsContact C-N 3.3Å; V1405-Q1407 PolarHBondContact O-N 3.06Å; V1405-S1408 WeakPolarHBondContact O-CB 3.42Å; V1405-S1408 PolarHBondContact O-N 3.01Å; V1405-S1408 VanDerWaalsContact O-N 3.1Å; V1405-V1409 PolarHBondContact O-N 2.97Å; V1405-L1424 HydrophobicContact CG2-CD1 3.69Å; V1405-L1424 HydrophobicContact CG2-CD2 3.88Å; V1405-L1424 HydrophobicContact CG2-CG 4.42Å; V1405-F1452 HydrophobicContact CG2-CE2 4.04Å |
| 1406 | R | 93.3 | Very high | 93.4 | Very high | 185 Ų | 185 | 60 Ų | 60 | 70% | 0.698 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -55.7 | -44.6 | 176.4 | -174.1 | 179.2 | 73 | 150 | 3.3 | 112 | L1402 A1403 L1404 S1408 | L1402-R1406 WeakPolarHBondContact O-CB 3.4Å; L1402-R1406 PolarHBondContact O-N 3.01Å; A1403-R1406 PolarHBondContact O-N 3.39Å; L1404-R1406 VanDerWaalsContact C-N 3.35Å; L1404-R1406 PolarHBondContact O-N 3.19Å; R1406-S1408 PolarHBondContact O-N 3.19Å |
| 1407 | Q | 93.4 | Very high | 93.6 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 39% | 0.388 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -72.5 | -18.8 | -177.6 | -164.9 | 47.6 | 86.3 | 0 | 0 | 113.2 | A1403 L1404 V1405 P1450 R1451 | A1403-Q1407 VanDerWaalsContact O-CB 3.31Å; A1403-Q1407 WeakPolarHBondContact O-CB 3.37Å; A1403-Q1407 PolarHBondContact O-N 3.36Å; L1404-Q1407 PolarHBondContact O-N 3.01Å; V1405-Q1407 VanDerWaalsContact C-N 3.3Å; V1405-Q1407 PolarHBondContact O-N 3.06Å; Q1407-P1450 WeakPolarHBondContact CG-O 3.01Å; Q1407-R1451 HydrophobicContact CB-CG 4.23Å; Q1407-R1451 HydrophobicContact CG-CG 3.67Å; Q1407-R1451 WeakPolarHBondContact O-CD 3.27Å; Q1407-R1451 VanDerWaalsContact O-CG 3.28Å; Q1407-R1451 WeakPolarHBondContact O-CG 3.2Å; Q1407-R1451 PolarHBondContact O-NE 2.51Å |
| 1408 | S | 94.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -88 | -24.6 | -178.1 | -53.7 | 0 | 0 | 0 | 0 | 113.9 | L1404 V1405 R1406 A1410 F1452 L1454 | L1404-S1408 WeakPolarHBondContact O-CB 3.08Å; L1404-S1408 PolarHBondContact O-N 3.37Å; L1404-S1408 PolarHBondContact O-OG 3.46Å; V1405-S1408 WeakPolarHBondContact O-CB 3.42Å; V1405-S1408 PolarHBondContact O-N 3.01Å; V1405-S1408 VanDerWaalsContact O-N 3.1Å; R1406-S1408 PolarHBondContact O-N 3.19Å; S1408-A1410 PolarHBondContact O-N 2.99Å; S1408-F1452 WeakPolarHBondContact OG-CB 3.37Å; S1408-F1452 WeakPolarHBondContact OG-CD2 3.4Å; S1408-F1452 PolarHBondContact OG-N 3.18Å; S1408-L1454 VanDerWaalsContact O-CD1 3.27Å; S1408-L1454 WeakPolarHBondContact O-CD1 3.08Å |
| 1409 | V | 93.6 | Very high | 93.9 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | trans | -71.8 | 118.5 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 108.5 | Y1376 V1405 R1411 Q1414 I1416 | Y1376-V1409 HydrophobicContact CE1-CG2 4.05Å; V1405-V1409 PolarHBondContact O-N 2.97Å; V1409-R1411 WeakPolarHBondContact CG1-O 3.43Å; V1409-Q1414 HydrophobicContact CG1-CB 3.99Å; V1409-I1416 HydrophobicContact CG2-CD1 4.23Å | ||
| 1410 | A | 89.8 | Confident | 93.9 | Very high | 88 Ų | 88 | 52.2 Ų | 52.2 | 73% | 0.727 | 26% | 0.257 | S | S | * | . | trans | -98.3 | -17.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1408 | S1408-A1410 PolarHBondContact O-N 2.99Š| ||
| 1411 | R | 91.6 | Very high | 94 | Very high | 198 Ų | 198 | 48.4 Ų | 48.4 | 75% | 0.747 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -133.4 | 148.8 | -179.6 | -59.4 | -179.9 | -175.9 | 179 | -0.8 | 109.6 | V1409 N1413 Q1414 | V1409-R1411 WeakPolarHBondContact CG1-O 3.43Å; R1411-N1413 PolarHBondContact O-N 2.84Å; R1411-Q1414 HydrophobicContact CB-CB 4.31Å; R1411-Q1414 VanDerWaalsContact O-CB 3.27Å; R1411-Q1414 WeakPolarHBondContact O-CB 3.4Å; R1411-Q1414 PolarHBondContact O-N 3.44Å |
| 1412 | D | 90.4 | Very high | 94.2 | Very high | 166 Ų | 166 | 48.4 Ų | 48.4 | 89% | 0.888 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 137.1 | 174.5 | -63.5 | -20.8 | 0 | 0 | 0 | 110.5 | Q1414 | D1412-Q1414 PolarHBondContact O-N 3.41Å; D1412-Q1414 VanDerWaalsContact O-N 3.07Å |
| 1413 | N | 93.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 47.7 Ų | 47.7 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 32.8 | -178.4 | -159.9 | 27.4 | 0 | 0 | 0 | 114 | P1369 R1372 V1373 R1411 R1415 | P1369-N1413 WeakPolarHBondContact CB-ND2 3.3Å; P1369-N1413 PolarHBondContact O-ND2 2.91Å; R1372-N1413 WeakPolarHBondContact CB-OD1 2.86Å; R1372-N1413 WeakPolarHBondContact CD-O 3.41Å; R1372-N1413 WeakPolarHBondContact CD-OD1 2.88Å; R1372-N1413 WeakPolarHBondContact CG-OD1 3.36Å; R1372-N1413 PolarHBondContact NE-O 3.21Å; R1372-N1413 PolarHBondContact NE-OD1 3.33Å; V1373-N1413 HydrophobicContact CG2-CB 4.22Å; V1373-N1413 VanDerWaalsContact CG2-CG 3.45Å; V1373-N1413 WeakPolarHBondContact CG2-ND2 3.38Å; V1373-N1413 PolarHBondContact N-OD1 3Å; R1411-N1413 PolarHBondContact O-N 2.84Å; N1413-R1415 PolarHBondContact O-N 3.31Å |
| 1414 | Q | 95 | Very high | 94.3 | Very high | 47 Ų | 47 | 46 Ų | 46 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 132.9 | -179.4 | -178.5 | 176.7 | -10.3 | 0 | 0 | 111.4 | R1372 Y1376 V1409 R1411 D1412 I1416 | R1372-Q1414 WeakPolarHBondContact CD-O 3.47Å; Y1376-Q1414 PolarHBondContact OH-O 3.47Å; V1409-Q1414 HydrophobicContact CG1-CB 3.99Å; R1411-Q1414 HydrophobicContact CB-CB 4.31Å; R1411-Q1414 VanDerWaalsContact O-CB 3.27Å; R1411-Q1414 WeakPolarHBondContact O-CB 3.4Å; R1411-Q1414 PolarHBondContact O-N 3.44Å; D1412-Q1414 PolarHBondContact O-N 3.41Å; D1412-Q1414 VanDerWaalsContact O-N 3.07Å; Q1414-I1416 PolarHBondContact O-N 2.87Å |
| 1415 | R | 95.3 | Very high | 94.4 | Very high | 72 Ų | 72 | 46 Ų | 46 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -70.7 | 120.8 | 168.6 | -171.7 | 162.2 | -174.5 | -166.3 | 4.5 | 111 | S1365 F1366 R1372 N1413 I1490 | S1365-R1415 PolarHBondContact O-NE 3.48Å; S1365-R1415 PolarHBondContact O-NH2 3.2Å; F1366-R1415 PolarHBondContact O-NE 3.41Å; R1372-R1415 VanDerWaalsContact NH1-CA 3.28Å; N1413-R1415 PolarHBondContact O-N 3.31Å; R1415-I1490 HydrophobicContact CG-CD1 4.14Å |
| 1416 | I | 95.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -89 | 138.1 | 172.8 | -61.6 | -175 | 0 | 0 | 0 | 108.6 | L1364 S1365 V1409 Q1414 I1420 L1454 | L1364-I1416 HydrophobicContact CB-CB 4.17Å; L1364-I1416 HydrophobicContact CB-CD1 3.93Å; L1364-I1416 HydrophobicContact CB-CG1 4.16Å; L1364-I1416 HydrophobicContact CD1-CD1 3.62Å; L1364-I1416 HydrophobicContact CG-CD1 4.42Å; L1364-I1416 PolarHBondContact O-N 3.44Å; L1364-I1416 VanDerWaalsContact O-N 3.11Å; S1365-I1416 WeakPolarHBondContact CA-O 3.49Å; S1365-I1416 WeakPolarHBondContact CB-O 3.14Å; S1365-I1416 PolarHBondContact OG-O 3.1Å; V1409-I1416 HydrophobicContact CG2-CD1 4.23Å; Q1414-I1416 PolarHBondContact O-N 2.87Å; I1416-I1420 HydrophobicContact CG2-CB 3.82Å; I1416-I1420 HydrophobicContact CG2-CG2 3.94Å; I1416-L1454 HydrophobicContact CG1-CD1 4.49Å; I1416-L1454 HydrophobicContact CG2-CD2 4.43Å |
| 1417 | P | 96.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 137.7 | 169.7 | -19 | 28.5 | 0 | 0 | 0 | 111.1 | I1419 I1420 S1421 I1490 I1494 | P1417-I1419 VanDerWaalsContact C-N 3.28Å; P1417-I1419 PolarHBondContact O-N 2.75Å; P1417-I1420 HydrophobicContact CB-CD1 4.37Å; P1417-I1420 HydrophobicContact CB-CG1 4.24Å; P1417-I1420 HydrophobicContact CG-CD1 3.98Å; P1417-I1420 HydrophobicContact CG-CG1 4.39Å; P1417-I1420 WeakPolarHBondContact O-CA 3.08Å; P1417-I1420 WeakPolarHBondContact O-CB 3.23Å; P1417-I1420 PolarHBondContact O-N 3.34Å; P1417-S1421 PolarHBondContact O-N 3.09Å; P1417-S1421 VanDerWaalsContact O-N 3.14Å; P1417-I1490 HydrophobicContact CB-CG2 4.06Å; P1417-I1490 HydrophobicContact CG-CG2 3.8Å; P1417-I1494 HydrophobicContact CB-CD1 3.57Å; P1417-I1494 HydrophobicContact CB-CG1 4.37Å; P1417-I1494 HydrophobicContact CG-CD1 3.97Å; P1417-I1494 HydrophobicContact CG-CG2 4.04Å |
| 1418 | F | 97.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.1 | -32.6 | -176.4 | -174 | -111.3 | 0 | 0 | 0 | 113.4 | F1309 L1311 C1362 S1365 I1420 S1421 L1422 G1485 R1487 D1491 | F1309-F1418 HydrophobicContact CB-CE2 3.74Å; F1309-F1418 HydrophobicContact CB-CZ 3.9Å; F1309-F1418 HydrophobicContact CG-CE2 4.23Å; L1311-F1418 HydrophobicContact CD1-CB 4.12Å; L1311-F1418 HydrophobicContact CD1-CD1 4.35Å; L1311-F1418 HydrophobicContact CD1-CD2 4.32Å; L1311-F1418 HydrophobicContact CD1-CG 4Å; L1311-F1418 HydrophobicContact CD2-CB 4.37Å; L1311-F1418 HydrophobicContact CD2-CD2 3.71Å; L1311-F1418 HydrophobicContact CD2-CE2 4.28Å; L1311-F1418 HydrophobicContact CD2-CG 4.16Å; L1311-F1418 HydrophobicContact CG-CD2 4.48Å; C1362-F1418 HydrophobicContact CB-CE2 4.17Å; S1365-F1418 VanDerWaalsContact OG-CA 3.23Å; S1365-F1418 WeakPolarHBondContact OG-CA 3.43Å; S1365-F1418 PolarHBondContact OG-N 2.85Å; F1418-I1420 PolarHBondContact O-N 3.49Å; F1418-S1421 PolarHBondContact O-N 3.35Å; F1418-L1422 HydrophobicContact CE1-CB 4.44Å; F1418-L1422 HydrophobicContact CE1-CD2 4.29Å; F1418-L1422 HydrophobicContact CZ-CB 4.49Å; F1418-L1422 VanDerWaalsContact O-CB 3.3Å; F1418-L1422 WeakPolarHBondContact O-CB 3.48Å; F1418-L1422 PolarHBondContact O-N 3.37Å; F1418-G1485 WeakPolarHBondContact CD1-O 3.36Å; F1418-R1487 HydrophobicContact CD1-CB 4.5Å; F1418-R1487 HydrophobicContact CD1-CG 3.99Å; F1418-R1487 HydrophobicContact CE1-CG 4.26Å; F1418-D1491 WeakPolarHBondContact CA-OD1 3.31Å; F1418-D1491 PolarHBondContact N-OD1 3.11Å |
| 1419 | I | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.9 | -39.5 | 171.5 | -65.8 | 173.8 | 0 | 0 | 0 | 111 | P1417 F1423 V1457 L1481 L1482 G1485 L1486 D1491 I1494 | P1417-I1419 VanDerWaalsContact C-N 3.28Å; P1417-I1419 PolarHBondContact O-N 2.75Å; I1419-F1423 WeakPolarHBondContact O-CB 3.49Å; I1419-F1423 PolarHBondContact O-N 3.44Å; I1419-V1457 HydrophobicContact CG2-CG1 4.26Å; I1419-L1481 HydrophobicContact CG2-CD2 4.38Å; I1419-L1481 HydrophobicContact CG2-CG 4.44Å; I1419-L1482 HydrophobicContact CD1-CD2 4.3Å; I1419-L1482 HydrophobicContact CG2-CD2 4.44Å; I1419-G1485 WeakPolarHBondContact CG1-O 3.26Å; I1419-L1486 HydrophobicContact CD1-CD1 4.44Å; I1419-D1491 HydrophobicContact CD1-CB 3.83Å; I1419-D1491 HydrophobicContact CG1-CB 4Å; I1419-D1491 PolarHBondContact N-OD1 2.92Å; I1419-D1491 VanDerWaalsContact N-OD1 3.17Å; I1419-I1494 HydrophobicContact CB-CD1 4.16Å; I1419-I1494 HydrophobicContact CD1-CD1 4.3Å; I1419-I1494 HydrophobicContact CD1-CG1 4.46Å |
| 1420 | I | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -76.4 | -45.4 | -178.8 | -56.2 | -173.5 | 0 | 0 | 0 | 110.2 | I1416 P1417 F1418 L1422 F1423 L1424 L1454 P1458 I1494 | I1416-I1420 HydrophobicContact CG2-CB 3.82Å; I1416-I1420 HydrophobicContact CG2-CG2 3.94Å; P1417-I1420 HydrophobicContact CB-CD1 4.37Å; P1417-I1420 HydrophobicContact CB-CG1 4.24Å; P1417-I1420 HydrophobicContact CG-CD1 3.98Å; P1417-I1420 HydrophobicContact CG-CG1 4.39Å; P1417-I1420 WeakPolarHBondContact O-CA 3.08Å; P1417-I1420 WeakPolarHBondContact O-CB 3.23Å; P1417-I1420 PolarHBondContact O-N 3.34Å; F1418-I1420 PolarHBondContact O-N 3.49Å; I1420-L1422 VanDerWaalsContact C-N 3.29Å; I1420-L1422 PolarHBondContact O-N 3.32Å; I1420-F1423 VanDerWaalsContact O-CB 3.32Å; I1420-F1423 WeakPolarHBondContact O-CB 3.45Å; I1420-F1423 PolarHBondContact O-N 2.83Å; I1420-F1423 VanDerWaalsContact O-N 3.15Å; I1420-L1424 HydrophobicContact CG2-CD1 4.43Å; I1420-L1424 WeakPolarHBondContact O-CG 3.29Å; I1420-L1424 PolarHBondContact O-N 2.72Å; I1420-L1454 HydrophobicContact CD1-CB 4.37Å; I1420-L1454 HydrophobicContact CD1-CD2 4.15Å; I1420-L1454 WeakPolarHBondContact CD1-O 3.48Å; I1420-L1454 HydrophobicContact CG2-CD2 4.05Å; I1420-P1458 HydrophobicContact CG1-CG 4.08Å; I1420-P1458 HydrophobicContact CG2-CG 4.32Å; I1420-I1494 HydrophobicContact CD1-CD1 4.27Å; I1420-I1494 HydrophobicContact CG1-CD1 4.11Å |
| 1421 | S | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.9 | -41.3 | 175.3 | -77.1 | 0 | 0 | 0 | 0 | 112.6 | L1361 S1365 P1417 F1418 L1424 S1425 | L1361-S1421 VanDerWaalsContact O-CB 3.25Å; L1361-S1421 WeakPolarHBondContact O-CB 3.04Å; L1361-S1421 PolarHBondContact O-OG 2.88Å; S1365-S1421 VanDerWaalsContact OG-CB 3.31Å; S1365-S1421 WeakPolarHBondContact OG-CB 3.48Å; S1365-S1421 PolarHBondContact OG-OG 2.91Å; P1417-S1421 PolarHBondContact O-N 3.09Å; P1417-S1421 VanDerWaalsContact O-N 3.14Å; F1418-S1421 PolarHBondContact O-N 3.35Å; S1421-L1424 PolarHBondContact O-N 3.3Å; S1421-S1425 PolarHBondContact O-N 3.39Å |
| 1422 | L | 96.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.1 | -35.4 | 176.3 | -174.8 | 61.9 | 0 | 0 | 0 | 112 | I1306 F1418 I1420 S1425 R1426 L1481 D1484 | I1306-L1422 HydrophobicContact CG2-CD1 4.25Å; F1418-L1422 HydrophobicContact CE1-CB 4.44Å; F1418-L1422 HydrophobicContact CE1-CD2 4.29Å; F1418-L1422 HydrophobicContact CZ-CB 4.49Å; F1418-L1422 VanDerWaalsContact O-CB 3.3Å; F1418-L1422 WeakPolarHBondContact O-CB 3.48Å; F1418-L1422 PolarHBondContact O-N 3.37Å; I1420-L1422 VanDerWaalsContact C-N 3.29Å; I1420-L1422 PolarHBondContact O-N 3.32Å; L1422-S1425 PolarHBondContact O-N 2.7Å; L1422-R1426 WeakPolarHBondContact O-CG 3.41Å; L1422-R1426 PolarHBondContact O-N 3.4Å; L1422-L1481 HydrophobicContact CB-CD1 4.11Å; L1422-L1481 HydrophobicContact CD2-CD1 4.18Å; L1422-L1481 HydrophobicContact CG-CD1 3.93Å; L1422-D1484 HydrophobicContact CD2-CB 3.77Å |
| 1423 | F | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 171.9 | 171 | -96.4 | 0 | 0 | 0 | 110.7 | I1419 I1420 S1425 R1426 L1427 F1445 F1452 P1458 F1463 W1477 L1481 | I1419-F1423 WeakPolarHBondContact O-CB 3.49Å; I1419-F1423 PolarHBondContact O-N 3.44Å; I1420-F1423 VanDerWaalsContact O-CB 3.32Å; I1420-F1423 WeakPolarHBondContact O-CB 3.45Å; I1420-F1423 PolarHBondContact O-N 2.83Å; I1420-F1423 VanDerWaalsContact O-N 3.15Å; F1423-S1425 PolarHBondContact O-N 2.86Å; F1423-R1426 PolarHBondContact O-N 3.12Å; F1423-L1427 HydrophobicContact CD1-CD1 3.92Å; F1423-L1427 HydrophobicContact CD1-CG 4.34Å; F1423-L1427 HydrophobicContact CE1-CD1 3.34Å; F1423-L1427 HydrophobicContact CE1-CG 3.99Å; F1423-L1427 HydrophobicContact CZ-CD1 3.75Å; F1423-L1427 HydrophobicContact CZ-CD2 4.17Å; F1423-L1427 HydrophobicContact CZ-CG 4.09Å; F1423-L1427 WeakPolarHBondContact O-CG 3.17Å; F1423-L1427 PolarHBondContact O-N 3.38Å; F1423-F1445 HydrophobicContact CE1-CD1 4.31Å; F1423-F1445 AromaticContact CE1-CE1 3.87Å; F1423-F1445 HydrophobicContact CE1-CE1 3.87Å; F1423-F1445 AromaticContact CZ-CD1 3.81Å; F1423-F1445 HydrophobicContact CZ-CD1 3.81Å; F1423-F1445 AromaticContact CZ-CE1 3.7Å; F1423-F1445 HydrophobicContact CZ-CE1 3.7Å; F1423-F1452 HydrophobicContact CE1-CE1 4.32Å; F1423-P1458 HydrophobicContact CB-CG 4.4Å; F1423-P1458 HydrophobicContact CD1-CB 3.93Å; F1423-P1458 HydrophobicContact CD1-CG 3.97Å; F1423-P1458 HydrophobicContact CD2-CB 4.07Å; F1423-P1458 HydrophobicContact CD2-CG 4.46Å; F1423-P1458 HydrophobicContact CE1-CB 3.84Å; F1423-P1458 HydrophobicContact CE1-CG 4.34Å; F1423-P1458 HydrophobicContact CE2-CB 3.99Å; F1423-P1458 HydrophobicContact CG-CB 4.05Å; F1423-P1458 HydrophobicContact CG-CG 4.04Å; F1423-P1458 HydrophobicContact CZ-CB 3.89Å; F1423-F1463 HydrophobicContact CE2-CE2 4.09Å; F1423-W1477 AromaticContact CD2-CH2 3.36Å; F1423-W1477 HydrophobicContact CD2-CH2 3.36Å; F1423-W1477 AromaticContact CD2-CZ3 3.74Å; F1423-W1477 HydrophobicContact CD2-CZ3 3.74Å; F1423-W1477 AromaticContact CE2-CH2 3.36Å; F1423-W1477 HydrophobicContact CE2-CH2 3.36Å; F1423-W1477 AromaticContact CE2-CZ3 3.62Å; F1423-W1477 HydrophobicContact CE2-CZ3 3.62Å; F1423-W1477 HydrophobicContact CG-CH2 4.46Å; F1423-W1477 HydrophobicContact CZ-CH2 4.46Å; F1423-L1481 HydrophobicContact CB-CD1 3.96Å; F1423-L1481 HydrophobicContact CB-CD2 3.9Å; F1423-L1481 HydrophobicContact CD2-CD2 3.83Å; F1423-L1481 HydrophobicContact CG-CD2 4.34Å |
| 1424 | L | 95.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 178.1 | -61.6 | 169.2 | 0 | 0 | 0 | 111.4 | L1361 L1401 V1405 I1420 S1421 R1426 L1427 L1428 F1452 | L1361-L1424 HydrophobicContact CD1-CB 3.99Å; L1361-L1424 HydrophobicContact CD2-CD1 4.47Å; L1401-L1424 HydrophobicContact CD1-CD2 3.87Å; V1405-L1424 HydrophobicContact CG2-CD1 3.69Å; V1405-L1424 HydrophobicContact CG2-CD2 3.88Å; V1405-L1424 HydrophobicContact CG2-CG 4.42Å; I1420-L1424 HydrophobicContact CG2-CD1 4.43Å; I1420-L1424 WeakPolarHBondContact O-CG 3.29Å; I1420-L1424 PolarHBondContact O-N 2.72Å; S1421-L1424 PolarHBondContact O-N 3.3Å; L1424-R1426 VanDerWaalsContact C-N 3.34Å; L1424-R1426 PolarHBondContact O-N 2.7Å; L1424-L1427 HydrophobicContact CD2-CD1 4.44Å; L1424-L1427 WeakPolarHBondContact O-CB 3.39Å; L1424-L1427 PolarHBondContact O-N 3.27Å; L1424-L1428 PolarHBondContact O-N 2.95Å; L1424-F1452 HydrophobicContact CD2-CE2 3.77Å; L1424-F1452 HydrophobicContact CD2-CZ 3.83Å |
| 1425 | S | 95.3 | Very high | 94.1 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 6% | 0.063 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.4 | -44.5 | 174.1 | 167.2 | 0 | 0 | 0 | 0 | 112.3 | S1358 S1421 L1422 F1423 L1427 L1428 | S1358-S1425 WeakPolarHBondContact CB-OG 3.39Å; S1358-S1425 PolarHBondContact OG-O 2.84Å; S1358-S1425 PolarHBondContact OG-OG 3Å; S1421-S1425 PolarHBondContact O-N 3.39Å; L1422-S1425 PolarHBondContact O-N 2.7Å; F1423-S1425 PolarHBondContact O-N 2.86Å; S1425-L1427 VanDerWaalsContact C-N 3.33Å; S1425-L1427 PolarHBondContact O-N 2.78Å; S1425-L1428 WeakPolarHBondContact O-CB 3.3Å; S1425-L1428 PolarHBondContact O-N 3.04Å |
| 1426 | R | 95.1 | Very high | 93.9 | Very high | 43 Ų | 43 | 28.8 Ų | 28.8 | 16% | 0.162 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.4 | -32.7 | 177.3 | -70.9 | -179.1 | -175.3 | -163.6 | -1.6 | 112.8 | L1422 F1423 L1424 L1428 W1429 V1430 W1477 N1480 D1484 | L1422-R1426 WeakPolarHBondContact O-CG 3.41Å; L1422-R1426 PolarHBondContact O-N 3.4Å; F1423-R1426 PolarHBondContact O-N 3.12Å; L1424-R1426 VanDerWaalsContact C-N 3.34Å; L1424-R1426 PolarHBondContact O-N 2.7Å; R1426-L1428 VanDerWaalsContact C-N 3.29Å; R1426-L1428 PolarHBondContact O-N 3.23Å; R1426-W1429 PolarHBondContact O-N 3.15Å; R1426-V1430 WeakPolarHBondContact O-CG2 3.42Å; R1426-V1430 PolarHBondContact O-N 3.18Å; R1426-W1477 HydrophobicContact CB-CZ2 3.8Å; R1426-N1480 VanDerWaalsContact NH1-C 3.28Å; R1426-D1484 IonicContact CZ-OD2 3.62Å; R1426-D1484 IonicContact NH2-OD2 3.58Å; R1426-D1484 PolarHBondContact NH2-OD2 2.71Å |
| 1427 | L | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -38.1 | 174.6 | -74.3 | -178 | 0 | 0 | 0 | 112.3 | L1401 F1423 L1424 S1425 W1429 V1430 F1431 A1442 L1446 | L1401-L1427 HydrophobicContact CD1-CD1 4.03Å; F1423-L1427 HydrophobicContact CD1-CD1 3.92Å; F1423-L1427 HydrophobicContact CD1-CG 4.34Å; F1423-L1427 HydrophobicContact CE1-CD1 3.34Å; F1423-L1427 HydrophobicContact CE1-CG 3.99Å; F1423-L1427 HydrophobicContact CZ-CD1 3.75Å; F1423-L1427 HydrophobicContact CZ-CD2 4.17Å; F1423-L1427 HydrophobicContact CZ-CG 4.09Å; F1423-L1427 WeakPolarHBondContact O-CG 3.17Å; F1423-L1427 PolarHBondContact O-N 3.38Å; L1424-L1427 HydrophobicContact CD2-CD1 4.44Å; L1424-L1427 WeakPolarHBondContact O-CB 3.39Å; L1424-L1427 PolarHBondContact O-N 3.27Å; S1425-L1427 VanDerWaalsContact C-N 3.33Å; S1425-L1427 PolarHBondContact O-N 2.78Å; L1427-W1429 VanDerWaalsContact C-N 3.25Å; L1427-W1429 PolarHBondContact O-N 2.8Å; L1427-V1430 CarbonylContact O-C 3.59Å; L1427-V1430 WeakPolarHBondContact O-CA 3.48Å; L1427-V1430 WeakPolarHBondContact O-CB 3.43Å; L1427-V1430 PolarHBondContact O-N 2.84Å; L1427-V1430 VanDerWaalsContact O-N 3.08Å; L1427-F1431 WeakPolarHBondContact O-CG 3.49Å; L1427-F1431 PolarHBondContact O-N 2.66Å; L1427-A1442 HydrophobicContact CD2-CB 3.54Å; L1427-L1446 HydrophobicContact CD1-CD1 4.23Å; L1427-L1446 HydrophobicContact CD1-CD2 3.92Å; L1427-L1446 HydrophobicContact CD1-CG 4.46Å |
| 1428 | L | 94.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.6 | -42 | 176.3 | -61.1 | 177.8 | 0 | 0 | 0 | 111.7 | V1352 L1357 S1358 L1361 L1398 L1401 L1424 S1425 R1426 F1431 I1432 | V1352-L1428 HydrophobicContact CG1-CB 4.2Å; L1357-L1428 HydrophobicContact CB-CD1 3.92Å; L1357-L1428 HydrophobicContact CD2-CD1 3.73Å; L1357-L1428 HydrophobicContact CD2-CD2 3.63Å; L1357-L1428 HydrophobicContact CD2-CG 4.33Å; L1357-L1428 HydrophobicContact CG-CD1 3.63Å; L1357-L1428 HydrophobicContact CG-CD2 4.4Å; S1358-L1428 WeakPolarHBondContact OG-CD1 3.48Å; L1361-L1428 HydrophobicContact CD1-CD1 3.63Å; L1361-L1428 HydrophobicContact CD1-CD2 4.49Å; L1361-L1428 HydrophobicContact CD1-CG 4.17Å; L1398-L1428 HydrophobicContact CD2-CD2 3.38Å; L1401-L1428 HydrophobicContact CD2-CD2 3.59Å; L1401-L1428 HydrophobicContact CD2-CG 4.39Å; L1424-L1428 PolarHBondContact O-N 2.95Å; S1425-L1428 WeakPolarHBondContact O-CB 3.3Å; S1425-L1428 PolarHBondContact O-N 3.04Å; R1426-L1428 VanDerWaalsContact C-N 3.29Å; R1426-L1428 PolarHBondContact O-N 3.23Å; L1428-F1431 PolarHBondContact O-N 3.33Å; L1428-I1432 PolarHBondContact O-N 3.08Å |
| 1429 | W | 91.3 | Very high | 93.2 | Very high | 123 Ų | 123 | 33.4 Ų | 33.4 | 47% | 0.466 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -71.2 | -33.5 | 176.6 | -168 | -119.1 | 0 | 0 | 0 | 112.8 | R1426 L1427 F1431 I1432 N1433 | R1426-W1429 PolarHBondContact O-N 3.15Å; L1427-W1429 VanDerWaalsContact C-N 3.25Å; L1427-W1429 PolarHBondContact O-N 2.8Å; W1429-F1431 VanDerWaalsContact C-N 3.3Å; W1429-F1431 PolarHBondContact O-N 3.42Å; W1429-I1432 HydrophobicContact CE3-CB 4.17Å; W1429-I1432 HydrophobicContact CE3-CD1 3.89Å; W1429-I1432 HydrophobicContact CE3-CG2 4.25Å; W1429-I1432 HydrophobicContact CH2-CG2 4.44Å; W1429-I1432 HydrophobicContact CZ3-CB 4.34Å; W1429-I1432 HydrophobicContact CZ3-CD1 4.08Å; W1429-I1432 HydrophobicContact CZ3-CG2 3.92Å; W1429-I1432 PolarHBondContact O-N 2.83Å; W1429-N1433 PolarHBondContact O-N 2.91Å |
| 1430 | V | 93.1 | Very high | 93 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -36 | 172.4 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | R1426 L1427 N1433 Y1439 | R1426-V1430 WeakPolarHBondContact O-CG2 3.42Å; R1426-V1430 PolarHBondContact O-N 3.18Å; L1427-V1430 CarbonylContact O-C 3.59Å; L1427-V1430 WeakPolarHBondContact O-CA 3.48Å; L1427-V1430 WeakPolarHBondContact O-CB 3.43Å; L1427-V1430 PolarHBondContact O-N 2.84Å; L1427-V1430 VanDerWaalsContact O-N 3.08Å; V1430-N1433 CarbonylContact O-C 3.57Å; V1430-N1433 PolarHBondContact O-N 3.02Å; V1430-Y1439 HydrophobicContact CG1-CD2 3.82Å; V1430-Y1439 HydrophobicContact CG1-CG 4.34Å; V1430-Y1439 WeakPolarHBondContact O-CD2 3.44Å |
| 1431 | F | 93.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -42.7 | 174.9 | -62.9 | -24.1 | 0 | 0 | 0 | 112.9 | E1394 Q1397 L1398 L1401 L1427 L1428 W1429 N1433 Y1439 L1446 | E1394-F1431 HydrophobicContact CB-CB 4.5Å; E1394-F1431 HydrophobicContact CG-CB 4.48Å; E1394-F1431 WeakPolarHBondContact CG-O 3.5Å; Q1397-F1431 HydrophobicContact CB-CD1 4.19Å; Q1397-F1431 HydrophobicContact CB-CD2 3.87Å; Q1397-F1431 HydrophobicContact CB-CE1 4.26Å; Q1397-F1431 HydrophobicContact CB-CE2 3.92Å; Q1397-F1431 HydrophobicContact CB-CG 4Å; Q1397-F1431 HydrophobicContact CB-CZ 4.12Å; L1398-F1431 HydrophobicContact CD2-CD2 4.13Å; L1401-F1431 HydrophobicContact CB-CE2 4.03Å; L1401-F1431 HydrophobicContact CD2-CE2 3.84Å; L1401-F1431 HydrophobicContact CG-CE2 4.41Å; L1427-F1431 WeakPolarHBondContact O-CG 3.49Å; L1427-F1431 PolarHBondContact O-N 2.66Å; L1428-F1431 PolarHBondContact O-N 3.33Å; W1429-F1431 VanDerWaalsContact C-N 3.3Å; W1429-F1431 PolarHBondContact O-N 3.42Å; F1431-N1433 PolarHBondContact O-N 2.73Å; F1431-Y1439 HydrophobicContact CD1-CE2 4.28Å; F1431-L1446 HydrophobicContact CE1-CD1 3.9Å; F1431-L1446 HydrophobicContact CZ-CD1 3.54Å |
| 1432 | I | 90.7 | Very high | 92.5 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 17% | 0.169 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -30.3 | 175.8 | -66.2 | 165 | 0 | 0 | 0 | 111.1 | V1352 T1353 E1394 L1428 W1429 P1434 | V1352-I1432 HydrophobicContact CB-CD1 4.29Å; V1352-I1432 HydrophobicContact CG1-CD1 3.62Å; T1353-I1432 HydrophobicContact CG2-CD1 4.03Å; E1394-I1432 HydrophobicContact CG-CG1 4.38Å; L1428-I1432 PolarHBondContact O-N 3.08Å; W1429-I1432 HydrophobicContact CE3-CB 4.17Å; W1429-I1432 HydrophobicContact CE3-CD1 3.89Å; W1429-I1432 HydrophobicContact CE3-CG2 4.25Å; W1429-I1432 HydrophobicContact CH2-CG2 4.44Å; W1429-I1432 HydrophobicContact CZ3-CB 4.34Å; W1429-I1432 HydrophobicContact CZ3-CD1 4.08Å; W1429-I1432 HydrophobicContact CZ3-CG2 3.92Å; W1429-I1432 PolarHBondContact O-N 2.83Å; I1432-P1434 VanDerWaalsContact O-CD 3.27Å; I1432-P1434 WeakPolarHBondContact O-CD 3.32Å |
| 1433 | N | 91.4 | Very high | 92.2 | Very high | 68 Ų | 68 | 43.7 Ų | 43.7 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | trans | -116.5 | 79.5 | 178.7 | -171.6 | 4.8 | 0 | 0 | 0 | 112.4 | W1429 V1430 F1431 K1435 S1436 | W1429-N1433 PolarHBondContact O-N 2.91Å; V1430-N1433 CarbonylContact O-C 3.57Å; V1430-N1433 PolarHBondContact O-N 3.02Å; F1431-N1433 PolarHBondContact O-N 2.73Å; N1433-K1435 PolarHBondContact O-N 3.32Å; N1433-K1435 VanDerWaalsContact O-N 3.08Å; N1433-K1435 PolarHBondContact OD1-N 3.12Å; N1433-S1436 WeakPolarHBondContact O-CB 3.46Å; N1433-S1436 PolarHBondContact O-N 2.97Å | ||
| 1434 | P | 87.9 | Confident | 91.9 | Very high | 77 Ų | 77 | 47.6 Ų | 47.6 | 50% | 0.5 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.5 | -178.7 | 26.9 | -35.6 | 0 | 0 | 0 | 113.8 | I1432 S1436 Y1439 | I1432-P1434 VanDerWaalsContact O-CD 3.27Å; I1432-P1434 WeakPolarHBondContact O-CD 3.32Å; P1434-S1436 PolarHBondContact O-N 3.23Å; P1434-Y1439 HydrophobicContact CB-CD2 4.19Å; P1434-Y1439 HydrophobicContact CB-CE2 4.07Å |
| 1435 | K | 89.1 | Confident | 91.7 | Very high | 196 Ų | 196 | 49.3 Ų | 49.3 | 85% | 0.852 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -4.6 | 171.2 | -62.1 | -178.9 | 179.3 | 178.2 | 0 | 112.7 | N1433 | N1433-K1435 PolarHBondContact O-N 3.32Å; N1433-K1435 VanDerWaalsContact O-N 3.08Å; N1433-K1435 PolarHBondContact OD1-N 3.12Å |
| 1436 | S | 91.3 | Very high | 91.5 | Very high | 24 Ų | 24 | 49.1 Ų | 49.1 | 17% | 0.168 | 23% | 0.229 | C | C | . | . | trans | -60.7 | 131.4 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 111 | N1433 P1434 V1438 Y1439 | N1433-S1436 WeakPolarHBondContact O-CB 3.46Å; N1433-S1436 PolarHBondContact O-N 2.97Å; P1434-S1436 PolarHBondContact O-N 3.23Å; S1436-V1438 PolarHBondContact O-N 3.09Å; S1436-V1438 PolarHBondContact OG-N 3.45Å; S1436-Y1439 VanDerWaalsContact O-CB 3.23Å; S1436-Y1439 WeakPolarHBondContact O-CB 3.27Å; S1436-Y1439 PolarHBondContact O-N 2.66Å | ||
| 1437 | P | 89.4 | Confident | 91.2 | Very high | 46 Ų | 46 | 53.3 Ų | 53.3 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.1 | 178.5 | 24.1 | -33.1 | 0 | 0 | 0 | 113.1 | H1470 Q1473 | P1437-H1470 HydrophobicContact CB-CB 3.77Å; P1437-Q1473 HydrophobicContact CB-CB 3.88Å; P1437-Q1473 HydrophobicContact CB-CG 4.28Å; P1437-Q1473 HydrophobicContact CG-CB 3.57Å; P1437-Q1473 HydrophobicContact CG-CG 3.94Å |
| 1438 | V | 92.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -14.2 | -178.6 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | S1436 R1440 T1441 A1442 F1463 W1477 | S1436-V1438 PolarHBondContact O-N 3.09Å; S1436-V1438 PolarHBondContact OG-N 3.45Å; V1438-R1440 PolarHBondContact O-N 3.31Å; V1438-T1441 PolarHBondContact O-N 3.27Å; V1438-A1442 HydrophobicContact CG1-CB 4.48Å; V1438-A1442 VanDerWaalsContact O-CB 3.24Å; V1438-A1442 WeakPolarHBondContact O-CB 3.46Å; V1438-A1442 PolarHBondContact O-N 3.43Å; V1438-F1463 HydrophobicContact CG1-CD1 4.33Å; V1438-F1463 HydrophobicContact CG1-CE1 3.46Å; V1438-F1463 VanDerWaalsContact CG1-CE1 3.46Å; V1438-F1463 HydrophobicContact CG1-CZ 3.94Å; V1438-W1477 HydrophobicContact CB-CG 4.49Å; V1438-W1477 HydrophobicContact CG1-CD2 3.81Å; V1438-W1477 HydrophobicContact CG1-CE3 3.94Å; V1438-W1477 HydrophobicContact CG1-CG 4.17Å; V1438-W1477 HydrophobicContact CG1-CZ2 4.45Å; V1438-W1477 HydrophobicContact CG1-CZ3 4.32Å; V1438-W1477 HydrophobicContact CG2-CB 3.8Å; V1438-W1477 HydrophobicContact CG2-CD2 4.24Å; V1438-W1477 HydrophobicContact CG2-CG 3.7Å |
| 1439 | Y | 92.5 | Very high | 90.5 | Very high | 59 Ų | 59 | 61 Ų | 61 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53.5 | -52.6 | -172.8 | -178.1 | -93.9 | 0 | 0 | 0 | 112.5 | V1430 F1431 P1434 S1436 T1441 A1442 C1443 | V1430-Y1439 HydrophobicContact CG1-CD2 3.82Å; V1430-Y1439 HydrophobicContact CG1-CG 4.34Å; V1430-Y1439 WeakPolarHBondContact O-CD2 3.44Å; F1431-Y1439 HydrophobicContact CD1-CE2 4.28Å; P1434-Y1439 HydrophobicContact CB-CD2 4.19Å; P1434-Y1439 HydrophobicContact CB-CE2 4.07Å; S1436-Y1439 VanDerWaalsContact O-CB 3.23Å; S1436-Y1439 WeakPolarHBondContact O-CB 3.27Å; S1436-Y1439 PolarHBondContact O-N 2.66Å; Y1439-T1441 PolarHBondContact O-N 2.78Å; Y1439-A1442 PolarHBondContact O-N 2.9Å; Y1439-C1443 WeakPolarHBondContact O-CB 3.42Å; Y1439-C1443 PolarHBondContact O-N 3.29Å; Y1439-C1443 PolarHBondContact O-SG 3.09Å; Y1439-C1443 VanDerWaalsContact O-SG 3.33Å |
| 1440 | R | 91.2 | Very high | 90.2 | Very high | 182 Ų | 182 | 59.8 Ų | 59.8 | 69% | 0.687 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.9 | -49.8 | -179 | -176.8 | -180 | 179.7 | 177.5 | 3.2 | 112 | V1438 A1442 C1443 Q1444 | V1438-R1440 PolarHBondContact O-N 3.31Å; R1440-A1442 VanDerWaalsContact C-N 3.33Å; R1440-A1442 PolarHBondContact O-N 3.08Å; R1440-C1443 PolarHBondContact O-N 2.8Å; R1440-Q1444 WeakPolarHBondContact O-CB 3.5Å; R1440-Q1444 VanDerWaalsContact O-CG 3.29Å; R1440-Q1444 WeakPolarHBondContact O-CG 3.37Å; R1440-Q1444 PolarHBondContact O-N 2.9Å |
| 1441 | T | 91.2 | Very high | 89.9 | Confident | 11 Ų | 11 | 67.3 Ų | 67.3 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.6 | -36 | -177 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | V1438 Y1439 F1445 R1462 F1463 E1474 | V1438-T1441 PolarHBondContact O-N 3.27Å; Y1439-T1441 PolarHBondContact O-N 2.78Å; T1441-F1445 WeakPolarHBondContact O-CB 3.44Å; T1441-F1445 PolarHBondContact O-N 3.25Å; T1441-R1462 HydrophobicContact CG2-CG 4.21Å; T1441-F1463 HydrophobicContact CG2-CD1 3.83Å; T1441-F1463 HydrophobicContact CG2-CE1 3.43Å; T1441-F1463 VanDerWaalsContact CG2-CE1 3.43Å; T1441-F1463 HydrophobicContact CG2-CZ 4.08Å; T1441-E1474 VanDerWaalsContact OG1-CD 3.29Å; T1441-E1474 PolarHBondContact OG1-OE1 2.95Å; T1441-E1474 PolarHBondContact OG1-OE2 3.29Å |
| 1442 | A | 90.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -52.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | L1427 V1438 Y1439 R1440 Q1444 F1445 L1446 | L1427-A1442 HydrophobicContact CD2-CB 3.54Å; V1438-A1442 HydrophobicContact CG1-CB 4.48Å; V1438-A1442 VanDerWaalsContact O-CB 3.24Å; V1438-A1442 WeakPolarHBondContact O-CB 3.46Å; V1438-A1442 PolarHBondContact O-N 3.43Å; Y1439-A1442 PolarHBondContact O-N 2.9Å; R1440-A1442 VanDerWaalsContact C-N 3.33Å; R1440-A1442 PolarHBondContact O-N 3.08Å; A1442-Q1444 VanDerWaalsContact C-N 3.33Å; A1442-Q1444 PolarHBondContact O-N 2.89Å; A1442-F1445 WeakPolarHBondContact O-CB 3.39Å; A1442-F1445 PolarHBondContact O-N 3.41Å; A1442-F1445 VanDerWaalsContact O-N 3.13Å; A1442-L1446 VanDerWaalsContact O-CG 3.31Å; A1442-L1446 WeakPolarHBondContact O-CG 3.37Å; A1442-L1446 PolarHBondContact O-N 3.01Å |
| 1443 | C | 90.5 | Very high | 89.4 | Confident | 26 Ų | 26 | 71 Ų | 71 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 178.1 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | Y1439 R1440 F1445 L1446 L1447 | Y1439-C1443 WeakPolarHBondContact O-CB 3.42Å; Y1439-C1443 PolarHBondContact O-N 3.29Å; Y1439-C1443 PolarHBondContact O-SG 3.09Å; Y1439-C1443 VanDerWaalsContact O-SG 3.33Å; R1440-C1443 PolarHBondContact O-N 2.8Å; C1443-F1445 VanDerWaalsContact C-N 3.33Å; C1443-F1445 PolarHBondContact O-N 3.4Å; C1443-L1446 PolarHBondContact O-N 3.12Å; C1443-L1447 VanDerWaalsContact O-CG 3.3Å; C1443-L1447 WeakPolarHBondContact O-CG 3.34Å; C1443-L1447 PolarHBondContact O-N 3.12Å; C1443-L1447 VanDerWaalsContact O-N 3.14Å |
| 1444 | Q | 90.6 | Very high | 89.4 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 173.5 | -77.7 | 179.4 | -9.1 | 0 | 0 | 111.4 | R1440 A1442 L1446 L1447 I1448 | R1440-Q1444 WeakPolarHBondContact O-CB 3.5Å; R1440-Q1444 VanDerWaalsContact O-CG 3.29Å; R1440-Q1444 WeakPolarHBondContact O-CG 3.37Å; R1440-Q1444 PolarHBondContact O-N 2.9Å; A1442-Q1444 VanDerWaalsContact C-N 3.33Å; A1442-Q1444 PolarHBondContact O-N 2.89Å; Q1444-L1446 VanDerWaalsContact C-N 3.33Å; Q1444-L1446 PolarHBondContact O-N 3.16Å; Q1444-L1447 PolarHBondContact O-N 2.79Å; Q1444-L1447 VanDerWaalsContact O-N 3.13Å; Q1444-I1448 WeakPolarHBondContact O-CG1 3.36Å; Q1444-I1448 PolarHBondContact O-N 3.4Å |
| 1445 | F | 90.8 | Very high | 89.6 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 17% | 0.167 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 177.4 | 169.8 | -114.5 | 0 | 0 | 0 | 112.8 | F1423 T1441 A1442 C1443 L1447 I1448 F1452 P1458 N1459 | F1423-F1445 HydrophobicContact CE1-CD1 4.31Å; F1423-F1445 AromaticContact CE1-CE1 3.87Å; F1423-F1445 HydrophobicContact CE1-CE1 3.87Å; F1423-F1445 AromaticContact CZ-CD1 3.81Å; F1423-F1445 HydrophobicContact CZ-CD1 3.81Å; F1423-F1445 AromaticContact CZ-CE1 3.7Å; F1423-F1445 HydrophobicContact CZ-CE1 3.7Å; T1441-F1445 WeakPolarHBondContact O-CB 3.44Å; T1441-F1445 PolarHBondContact O-N 3.25Å; A1442-F1445 WeakPolarHBondContact O-CB 3.39Å; A1442-F1445 PolarHBondContact O-N 3.41Å; A1442-F1445 VanDerWaalsContact O-N 3.13Å; C1443-F1445 VanDerWaalsContact C-N 3.33Å; C1443-F1445 PolarHBondContact O-N 3.4Å; F1445-L1447 PolarHBondContact O-N 3.48Å; F1445-I1448 HydrophobicContact CD2-CD1 4.39Å; F1445-I1448 PolarHBondContact O-N 3.32Å; F1445-F1452 HydrophobicContact CD1-CE1 4.38Å; F1445-F1452 AromaticContact CE1-CD1 3.84Å; F1445-F1452 HydrophobicContact CE1-CD1 3.84Å; F1445-F1452 AromaticContact CE1-CE1 3.62Å; F1445-F1452 HydrophobicContact CE1-CE1 3.62Å; F1445-F1452 AromaticContact CZ-CD1 3.98Å; F1445-F1452 HydrophobicContact CZ-CD1 3.98Å; F1445-F1452 HydrophobicContact CZ-CE1 4.22Å; F1445-P1458 HydrophobicContact CE1-CB 3.95Å; F1445-P1458 HydrophobicContact CZ-CB 3.97Å; F1445-N1459 HydrophobicContact CB-CB 4.34Å; F1445-N1459 HydrophobicContact CD1-CB 4.15Å; F1445-N1459 HydrophobicContact CD2-CB 3.48Å; F1445-N1459 VanDerWaalsContact CD2-CB 3.48Å; F1445-N1459 HydrophobicContact CE1-CB 4.32Å; F1445-N1459 HydrophobicContact CE2-CB 3.7Å; F1445-N1459 HydrophobicContact CG-CB 3.72Å; F1445-N1459 HydrophobicContact CZ-CB 4.11Å |
| 1446 | L | 90.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.4 | -27.4 | 178.2 | -63.3 | 173.6 | 0 | 0 | 0 | 112.6 | F1400 L1401 L1404 L1427 F1431 A1442 C1443 Q1444 F1452 | F1400-L1446 HydrophobicContact CE1-CB 3.86Å; F1400-L1446 WeakPolarHBondContact CE1-O 3.41Å; F1400-L1446 WeakPolarHBondContact CZ-O 3.33Å; L1401-L1446 HydrophobicContact CD1-CD1 4.47Å; L1401-L1446 HydrophobicContact CD1-CD2 3.99Å; L1404-L1446 HydrophobicContact CD1-CB 4.03Å; L1404-L1446 HydrophobicContact CD1-CD2 3.91Å; L1427-L1446 HydrophobicContact CD1-CD1 4.23Å; L1427-L1446 HydrophobicContact CD1-CD2 3.92Å; L1427-L1446 HydrophobicContact CD1-CG 4.46Å; F1431-L1446 HydrophobicContact CE1-CD1 3.9Å; F1431-L1446 HydrophobicContact CZ-CD1 3.54Å; A1442-L1446 VanDerWaalsContact O-CG 3.31Å; A1442-L1446 WeakPolarHBondContact O-CG 3.37Å; A1442-L1446 PolarHBondContact O-N 3.01Å; C1443-L1446 PolarHBondContact O-N 3.12Å; Q1444-L1446 VanDerWaalsContact C-N 3.33Å; Q1444-L1446 PolarHBondContact O-N 3.16Å; L1446-F1452 HydrophobicContact CD2-CE1 3.51Å; L1446-F1452 HydrophobicContact CD2-CZ 3.32Å |
| 1447 | L | 89.8 | Confident | 89.8 | Confident | 131 Ų | 131 | 57.7 Ų | 57.7 | 69% | 0.686 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -88 | -10 | 180 | -66 | 170.6 | 0 | 0 | 0 | 114.1 | F1400 C1443 Q1444 F1445 G1449 | F1400-L1447 HydrophobicContact CE1-CD2 3.98Å; F1400-L1447 HydrophobicContact CZ-CD2 4Å; C1443-L1447 VanDerWaalsContact O-CG 3.3Å; C1443-L1447 WeakPolarHBondContact O-CG 3.34Å; C1443-L1447 PolarHBondContact O-N 3.12Å; C1443-L1447 VanDerWaalsContact O-N 3.14Å; Q1444-L1447 PolarHBondContact O-N 2.79Å; Q1444-L1447 VanDerWaalsContact O-N 3.13Å; F1445-L1447 PolarHBondContact O-N 3.48Å; L1447-G1449 VanDerWaalsContact C-N 3.29Å; L1447-G1449 PolarHBondContact O-N 3.34Å |
| 1448 | I | 87.9 | Confident | 89.8 | Confident | 134 Ų | 134 | 55.9 Ų | 55.9 | 69% | 0.687 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -64.8 | -32.8 | -176.8 | -72.9 | 169.5 | 0 | 0 | 0 | 112 | Q1444 F1445 | Q1444-I1448 WeakPolarHBondContact O-CG1 3.36Å; Q1444-I1448 PolarHBondContact O-N 3.4Å; F1445-I1448 HydrophobicContact CD2-CD1 4.39Å; F1445-I1448 PolarHBondContact O-N 3.32Å |
| 1449 | G | 85.3 | Confident | 89.7 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 32% | 0.32 | 29% | 0.288 | S | S | . | . | trans | -164.4 | 169.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1447 R1451 | L1447-G1449 VanDerWaalsContact C-N 3.29Å; L1447-G1449 PolarHBondContact O-N 3.34Å; G1449-R1451 VanDerWaalsContact C-N 3.28Å; G1449-R1451 PolarHBondContact O-N 3.41Å | ||
| 1450 | P | 85.7 | Confident | 89.7 | Confident | 97 Ų | 97 | 54.7 Ų | 54.7 | 63% | 0.63 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -79.6 | -5.3 | -171.4 | 32 | -36.7 | 0 | 0 | 0 | 114.2 | L1404 Q1407 | L1404-P1450 WeakPolarHBondContact CD2-O 3.28Å; Q1407-P1450 WeakPolarHBondContact CG-O 3.01Å |
| 1451 | R | 86.4 | Confident | 89.7 | Confident | 163 Ų | 163 | 50 Ų | 50 | 62% | 0.615 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -146.3 | 142.6 | -173.1 | -63.4 | -176.8 | -172.1 | 175.8 | -0.3 | 111.4 | Q1407 G1449 | Q1407-R1451 HydrophobicContact CB-CG 4.23Å; Q1407-R1451 HydrophobicContact CG-CG 3.67Å; Q1407-R1451 WeakPolarHBondContact O-CD 3.27Å; Q1407-R1451 VanDerWaalsContact O-CG 3.28Å; Q1407-R1451 WeakPolarHBondContact O-CG 3.2Å; Q1407-R1451 PolarHBondContact O-NE 2.51Å; G1449-R1451 VanDerWaalsContact C-N 3.28Å; G1449-R1451 PolarHBondContact O-N 3.41Å |
| 1452 | F | 85.1 | Confident | 89.7 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | trans | -75.2 | 138.1 | 163.9 | -62.8 | -67.7 | 0 | 0 | 0 | 110.7 | L1401 L1404 V1405 S1408 F1423 L1424 F1445 L1446 L1454 | L1401-F1452 HydrophobicContact CD1-CE2 4.37Å; L1401-F1452 HydrophobicContact CD1-CZ 4.03Å; L1404-F1452 HydrophobicContact CB-CD2 4.31Å; L1404-F1452 HydrophobicContact CB-CE2 3.7Å; L1404-F1452 HydrophobicContact CB-CZ 4.25Å; L1404-F1452 HydrophobicContact CD1-CE2 4.42Å; L1404-F1452 HydrophobicContact CD1-CZ 4.15Å; V1405-F1452 HydrophobicContact CG2-CE2 4.04Å; S1408-F1452 WeakPolarHBondContact OG-CB 3.37Å; S1408-F1452 WeakPolarHBondContact OG-CD2 3.4Å; S1408-F1452 PolarHBondContact OG-N 3.18Å; F1423-F1452 HydrophobicContact CE1-CE1 4.32Å; L1424-F1452 HydrophobicContact CD2-CE2 3.77Å; L1424-F1452 HydrophobicContact CD2-CZ 3.83Å; F1445-F1452 HydrophobicContact CD1-CE1 4.38Å; F1445-F1452 AromaticContact CE1-CD1 3.84Å; F1445-F1452 HydrophobicContact CE1-CD1 3.84Å; F1445-F1452 AromaticContact CE1-CE1 3.62Å; F1445-F1452 HydrophobicContact CE1-CE1 3.62Å; F1445-F1452 AromaticContact CZ-CD1 3.98Å; F1445-F1452 HydrophobicContact CZ-CD1 3.98Å; F1445-F1452 HydrophobicContact CZ-CE1 4.22Å; L1446-F1452 HydrophobicContact CD2-CE1 3.51Å; L1446-F1452 HydrophobicContact CD2-CZ 3.32Å; F1452-L1454 HydrophobicContact CB-CD2 4.28Å; F1452-L1454 PolarHBondContact O-N 3.22Å | ||
| 1453 | N | 89.3 | Confident | 89.7 | Confident | 99 Ų | 99 | 55.4 Ų | 55.4 | 53% | 0.529 | 29% | 0.285 | S | S | . | . | trans | -78.8 | 99 | 165.3 | -172.9 | -22.1 | 0 | 0 | 0 | 109.6 | G1455 L1456 | N1453-G1455 PolarHBondContact O-N 3.27Å; N1453-G1455 VanDerWaalsContact O-N 3.14Å; N1453-G1455 PolarHBondContact OD1-N 3.38Å; N1453-L1456 WeakPolarHBondContact ND2-CD1 3.24Å; N1453-L1456 PolarHBondContact O-N 3.17Å | ||
| 1454 | L | 91.2 | Very high | 89.7 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -7.3 | -179.2 | -60.9 | 179.9 | 0 | 0 | 0 | 114.4 | S1408 I1416 I1420 F1452 | S1408-L1454 VanDerWaalsContact O-CD1 3.27Å; S1408-L1454 WeakPolarHBondContact O-CD1 3.08Å; I1416-L1454 HydrophobicContact CG1-CD1 4.49Å; I1416-L1454 HydrophobicContact CG2-CD2 4.43Å; I1420-L1454 HydrophobicContact CD1-CB 4.37Å; I1420-L1454 HydrophobicContact CD1-CD2 4.15Å; I1420-L1454 WeakPolarHBondContact CD1-O 3.48Å; I1420-L1454 HydrophobicContact CG2-CD2 4.05Å; F1452-L1454 HydrophobicContact CB-CD2 4.28Å; F1452-L1454 PolarHBondContact O-N 3.22Å |
| 1455 | G | 90.8 | Very high | 89.7 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -7.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N1453 I1494 R1497 | N1453-G1455 PolarHBondContact O-N 3.27Å; N1453-G1455 VanDerWaalsContact O-N 3.14Å; N1453-G1455 PolarHBondContact OD1-N 3.38Å; G1455-I1494 WeakPolarHBondContact O-CB 2.93Å; G1455-I1494 VanDerWaalsContact O-CG2 3.28Å; G1455-I1494 WeakPolarHBondContact O-CG2 2.82Å; G1455-R1497 VanDerWaalsContact CA-NH2 3.31Å; G1455-R1497 PolarHBondContact O-NE 3.31Å; G1455-R1497 PolarHBondContact O-NH2 3.39Å |
| 1456 | L | 92.3 | Very high | 89.6 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -129.5 | 152.6 | -174.9 | -59.4 | 176.9 | 0 | 0 | 0 | 109.7 | N1453 P1458 R1497 L1498 | N1453-L1456 WeakPolarHBondContact ND2-CD1 3.24Å; N1453-L1456 PolarHBondContact O-N 3.17Å; L1456-P1458 WeakPolarHBondContact O-CD 3.26Å; L1456-R1497 HydrophobicContact CD2-CB 4.32Å; L1456-R1497 VanDerWaalsContact CD2-NH2 3.35Å; L1456-L1498 HydrophobicContact CB-CD1 3.95Å; L1456-L1498 HydrophobicContact CB-CD2 4.33Å; L1456-L1498 HydrophobicContact CB-CG 4.09Å; L1456-L1498 HydrophobicContact CD1-CD2 4.13Å; L1456-L1498 HydrophobicContact CD2-CD2 3.8Å; L1456-L1498 HydrophobicContact CD2-CG 3.73Å; L1456-L1498 HydrophobicContact CG-CD2 4.3Å; L1456-L1498 HydrophobicContact CG-CG 4.36Å |
| 1457 | V | 92.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | trans | -61.9 | 124.8 | 173.3 | -179 | 0 | 0 | 0 | 0 | 109.1 | I1419 N1459 F1460 I1478 L1482 I1494 A1495 L1498 | I1419-V1457 HydrophobicContact CG2-CG1 4.26Å; V1457-N1459 PolarHBondContact O-N 3.42Å; V1457-F1460 HydrophobicContact CB-CB 4.01Å; V1457-F1460 HydrophobicContact CG1-CB 3.95Å; V1457-F1460 HydrophobicContact CG1-CD2 4.47Å; V1457-F1460 PolarHBondContact O-N 3Å; V1457-I1478 HydrophobicContact CG1-CD1 4.31Å; V1457-L1482 HydrophobicContact CG1-CD2 3.87Å; V1457-L1482 HydrophobicContact CG2-CD2 4.07Å; V1457-I1494 HydrophobicContact CG2-CD1 4.47Å; V1457-A1495 HydrophobicContact CG2-CB 4.26Å; V1457-L1498 HydrophobicContact CB-CD1 3.78Å; V1457-L1498 HydrophobicContact CG2-CD1 4.25Å | ||
| 1458 | P | 91.3 | Very high | 89.3 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 122.4 | -174.4 | -27.4 | 35.3 | 0 | 0 | 0 | 112.8 | I1420 F1423 F1445 L1456 F1460 | I1420-P1458 HydrophobicContact CG1-CG 4.08Å; I1420-P1458 HydrophobicContact CG2-CG 4.32Å; F1423-P1458 HydrophobicContact CB-CG 4.4Å; F1423-P1458 HydrophobicContact CD1-CB 3.93Å; F1423-P1458 HydrophobicContact CD1-CG 3.97Å; F1423-P1458 HydrophobicContact CD2-CB 4.07Å; F1423-P1458 HydrophobicContact CD2-CG 4.46Å; F1423-P1458 HydrophobicContact CE1-CB 3.84Å; F1423-P1458 HydrophobicContact CE1-CG 4.34Å; F1423-P1458 HydrophobicContact CE2-CB 3.99Å; F1423-P1458 HydrophobicContact CG-CB 4.05Å; F1423-P1458 HydrophobicContact CG-CG 4.04Å; F1423-P1458 HydrophobicContact CZ-CB 3.89Å; F1445-P1458 HydrophobicContact CE1-CB 3.95Å; F1445-P1458 HydrophobicContact CZ-CB 3.97Å; L1456-P1458 WeakPolarHBondContact O-CD 3.26Å; P1458-F1460 PolarHBondContact O-N 3.19Å |
| 1459 | N | 89.7 | Confident | 89.2 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 27.8 | 174.3 | -152.7 | 29.2 | 0 | 0 | 0 | 115.5 | F1445 V1457 L1461 R1462 F1463 | F1445-N1459 HydrophobicContact CB-CB 4.34Å; F1445-N1459 HydrophobicContact CD1-CB 4.15Å; F1445-N1459 HydrophobicContact CD2-CB 3.48Å; F1445-N1459 VanDerWaalsContact CD2-CB 3.48Å; F1445-N1459 HydrophobicContact CE1-CB 4.32Å; F1445-N1459 HydrophobicContact CE2-CB 3.7Å; F1445-N1459 HydrophobicContact CG-CB 3.72Å; F1445-N1459 HydrophobicContact CZ-CB 4.11Å; V1457-N1459 PolarHBondContact O-N 3.42Å; N1459-L1461 PolarHBondContact O-N 2.61Å; N1459-R1462 PolarHBondContact O-N 2.98Å; N1459-R1462 WeakPolarHBondContact OD1-CB 3.44Å; N1459-F1463 HydrophobicContact CB-CD2 3.86Å; N1459-F1463 HydrophobicContact CB-CE2 3.74Å; N1459-F1463 WeakPolarHBondContact O-CD2 3.33Å; N1459-F1463 PolarHBondContact O-N 3.24Å; N1459-F1463 VanDerWaalsContact O-N 3.16Å |
| 1460 | F | 92.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53.2 | -52.3 | -170.9 | 169.9 | -103.8 | 0 | 0 | 0 | 112.9 | V1457 P1458 R1462 F1463 F1464 I1478 L1482 L1498 T1500 F1503 | V1457-F1460 HydrophobicContact CB-CB 4.01Å; V1457-F1460 HydrophobicContact CG1-CB 3.95Å; V1457-F1460 HydrophobicContact CG1-CD2 4.47Å; V1457-F1460 PolarHBondContact O-N 3Å; P1458-F1460 PolarHBondContact O-N 3.19Å; F1460-R1462 VanDerWaalsContact C-N 3.31Å; F1460-R1462 PolarHBondContact O-N 3.11Å; F1460-F1463 PolarHBondContact O-N 2.92Å; F1460-F1464 HydrophobicContact CE2-CB 4.23Å; F1460-F1464 HydrophobicContact CE2-CD2 4.15Å; F1460-F1464 HydrophobicContact CE2-CG 4.29Å; F1460-F1464 HydrophobicContact CZ-CB 4.18Å; F1460-F1464 HydrophobicContact CZ-CD1 4.43Å; F1460-F1464 HydrophobicContact CZ-CD2 4.08Å; F1460-F1464 AromaticContact CZ-CG 3.98Å; F1460-F1464 HydrophobicContact CZ-CG 3.98Å; F1460-F1464 WeakPolarHBondContact O-CB 3.35Å; F1460-F1464 PolarHBondContact O-N 3.4Å; F1460-I1478 HydrophobicContact CD2-CG1 3.92Å; F1460-L1482 HydrophobicContact CD2-CD1 3.97Å; F1460-L1482 HydrophobicContact CE2-CD1 3.68Å; F1460-L1498 HydrophobicContact CB-CD1 4.09Å; F1460-T1500 HydrophobicContact CD2-CG2 4.49Å; F1460-T1500 HydrophobicContact CE1-CG2 4.46Å; F1460-T1500 HydrophobicContact CE2-CG2 3.88Å; F1460-T1500 HydrophobicContact CZ-CG2 3.87Å; F1460-F1503 HydrophobicContact CE1-CD2 4.05Å; F1460-F1503 HydrophobicContact CE1-CG 4.49Å; F1460-F1503 HydrophobicContact CZ-CB 4.45Å |
| 1461 | L | 90.7 | Very high | 89.4 | Confident | 85 Ų | 85 | 54.6 Ų | 54.6 | 45% | 0.445 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | -176.1 | -66.7 | 175.9 | 0 | 0 | 0 | 112.7 | N1459 H1465 F1503 | N1459-L1461 PolarHBondContact O-N 2.61Å; L1461-H1465 WeakPolarHBondContact O-CB 3.38Å; L1461-H1465 PolarHBondContact O-N 3.4Å; L1461-F1503 HydrophobicContact CD2-CE2 4.03Å; L1461-F1503 HydrophobicContact CD2-CZ 4.14Å |
| 1462 | R | 90 | Very high | 89.6 | Confident | 123 Ų | 123 | 52.7 Ų | 52.7 | 46% | 0.464 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.8 | -43.6 | 179.6 | -175.5 | 65.2 | 171.8 | 177.8 | -0.7 | 111.8 | T1441 N1459 F1460 H1465 S1466 | T1441-R1462 HydrophobicContact CG2-CG 4.21Å; N1459-R1462 PolarHBondContact O-N 2.98Å; N1459-R1462 WeakPolarHBondContact OD1-CB 3.44Å; F1460-R1462 VanDerWaalsContact C-N 3.31Å; F1460-R1462 PolarHBondContact O-N 3.11Å; R1462-H1465 CarbonylContact O-C 3.56Å; R1462-S1466 WeakPolarHBondContact O-CA 3.39Å; R1462-S1466 WeakPolarHBondContact O-CB 3.41Å; R1462-S1466 PolarHBondContact O-N 3.31Å; R1462-S1466 VanDerWaalsContact O-N 3.08Å |
| 1463 | F | 91.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 175.1 | -74.1 | -60.1 | 0 | 0 | 0 | 111.6 | F1423 V1438 T1441 N1459 F1460 E1474 R1475 W1477 I1478 | F1423-F1463 HydrophobicContact CE2-CE2 4.09Å; V1438-F1463 HydrophobicContact CG1-CD1 4.33Å; V1438-F1463 HydrophobicContact CG1-CE1 3.46Å; V1438-F1463 VanDerWaalsContact CG1-CE1 3.46Å; V1438-F1463 HydrophobicContact CG1-CZ 3.94Å; T1441-F1463 HydrophobicContact CG2-CD1 3.83Å; T1441-F1463 HydrophobicContact CG2-CE1 3.43Å; T1441-F1463 VanDerWaalsContact CG2-CE1 3.43Å; T1441-F1463 HydrophobicContact CG2-CZ 4.08Å; N1459-F1463 HydrophobicContact CB-CD2 3.86Å; N1459-F1463 HydrophobicContact CB-CE2 3.74Å; N1459-F1463 WeakPolarHBondContact O-CD2 3.33Å; N1459-F1463 PolarHBondContact O-N 3.24Å; N1459-F1463 VanDerWaalsContact O-N 3.16Å; F1460-F1463 PolarHBondContact O-N 2.92Å; F1463-E1474 HydrophobicContact CD1-CB 4.13Å; F1463-E1474 HydrophobicContact CD1-CG 4.39Å; F1463-R1475 PolarHBondContact O-N 2.8Å; F1463-W1477 HydrophobicContact CD2-CZ3 4.27Å; F1463-W1477 HydrophobicContact CE1-CE3 4.43Å; F1463-W1477 HydrophobicContact CE1-CZ3 4.44Å; F1463-W1477 HydrophobicContact CE2-CE3 4.39Å; F1463-W1477 AromaticContact CE2-CZ3 3.8Å; F1463-W1477 HydrophobicContact CE2-CZ3 3.8Å; F1463-W1477 HydrophobicContact CZ-CE3 4.32Å; F1463-W1477 AromaticContact CZ-CZ3 3.89Å; F1463-W1477 HydrophobicContact CZ-CZ3 3.89Å; F1463-I1478 HydrophobicContact CB-CB 3.7Å; F1463-I1478 HydrophobicContact CB-CG1 4.17Å; F1463-I1478 HydrophobicContact CB-CG2 3.68Å; F1463-I1478 HydrophobicContact CD2-CD1 4.09Å; F1463-I1478 HydrophobicContact CG-CB 4.31Å |
| 1464 | F | 91.2 | Very high | 90 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.4 | -44.4 | -177.2 | -169.3 | -101.9 | 0 | 0 | 0 | 112.7 | F1460 R1475 L1479 F1503 L1504 F1507 | F1460-F1464 HydrophobicContact CE2-CB 4.23Å; F1460-F1464 HydrophobicContact CE2-CD2 4.15Å; F1460-F1464 HydrophobicContact CE2-CG 4.29Å; F1460-F1464 HydrophobicContact CZ-CB 4.18Å; F1460-F1464 HydrophobicContact CZ-CD1 4.43Å; F1460-F1464 HydrophobicContact CZ-CD2 4.08Å; F1460-F1464 AromaticContact CZ-CG 3.98Å; F1460-F1464 HydrophobicContact CZ-CG 3.98Å; F1460-F1464 WeakPolarHBondContact O-CB 3.35Å; F1460-F1464 PolarHBondContact O-N 3.4Å; F1464-R1475 HydrophobicContact CD2-CG 4.04Å; F1464-R1475 HydrophobicContact CE2-CG 4.4Å; F1464-R1475 PolarHBondContact O-NE 3.36Å; F1464-R1475 PolarHBondContact O-NH2 2.95Å; F1464-L1479 HydrophobicContact CD2-CD2 4.44Å; F1464-L1479 HydrophobicContact CE2-CD2 4.2Å; F1464-F1503 HydrophobicContact CE1-CB 4.37Å; F1464-L1504 HydrophobicContact CE2-CD2 3.76Å; F1464-L1504 HydrophobicContact CZ-CD2 4.28Å; F1464-F1507 HydrophobicContact CE1-CB 4.46Å; F1464-F1507 HydrophobicContact CE1-CG 4.37Å; F1464-F1507 AromaticContact CE2-CD1 3.9Å; F1464-F1507 HydrophobicContact CE2-CD1 3.9Å; F1464-F1507 HydrophobicContact CE2-CE1 4.35Å; F1464-F1507 HydrophobicContact CE2-CG 4.22Å; F1464-F1507 HydrophobicContact CZ-CB 3.67Å; F1464-F1507 AromaticContact CZ-CD1 3.67Å; F1464-F1507 HydrophobicContact CZ-CD1 3.67Å; F1464-F1507 HydrophobicContact CZ-CD2 4.06Å; F1464-F1507 HydrophobicContact CZ-CE1 4.37Å; F1464-F1507 AromaticContact CZ-CG 3.51Å; F1464-F1507 HydrophobicContact CZ-CG 3.51Å |
| 1465 | H | 90.2 | Very high | 90.2 | Very high | 108 Ų | 108 | 51.4 Ų | 51.4 | 50% | 0.5 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 39.4 | 175.3 | -59.1 | -63.6 | 0 | 0 | 0 | 112.2 | L1461 R1462 S1467 | L1461-H1465 WeakPolarHBondContact O-CB 3.38Å; L1461-H1465 PolarHBondContact O-N 3.4Å; R1462-H1465 CarbonylContact O-C 3.56Å; H1465-S1467 PolarHBondContact O-N 3.25Å |
| 1466 | S | 88 | Confident | 90.3 | Very high | 13 Ų | 13 | 52 Ų | 52 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | trans | -62.4 | 137.9 | 179.7 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | R1462 S1468 Y1471 E1474 | R1462-S1466 WeakPolarHBondContact O-CA 3.39Å; R1462-S1466 WeakPolarHBondContact O-CB 3.41Å; R1462-S1466 PolarHBondContact O-N 3.31Å; R1462-S1466 VanDerWaalsContact O-N 3.08Å; S1466-S1468 PolarHBondContact OG-N 2.96Å; S1466-S1468 PolarHBondContact OG-OG 3.08Å; S1466-Y1471 VanDerWaalsContact O-CB 3.23Å; S1466-Y1471 WeakPolarHBondContact O-CB 2.95Å; S1466-E1474 WeakPolarHBondContact CB-OE2 3.38Å; S1466-E1474 VanDerWaalsContact OG-CD 3.27Å; S1466-E1474 PolarHBondContact OG-OE2 3.27Å | ||
| 1467 | S | 86.7 | Confident | 90.4 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 73% | 0.734 | 26% | 0.264 | S | S | * | . | trans | -102.8 | 8.6 | 173.8 | 67.1 | 0 | 0 | 0 | 0 | 112.5 | H1465 | H1465-S1467 PolarHBondContact O-N 3.25Š| ||
| 1468 | S | 86.5 | Confident | 90.5 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -75.5 | 161.1 | -179.3 | 83 | 0 | 0 | 0 | 0 | 111.2 | S1466 H1470 Y1471 E1474 | S1466-S1468 PolarHBondContact OG-N 2.96Å; S1466-S1468 PolarHBondContact OG-OG 3.08Å; S1468-H1470 PolarHBondContact O-N 3.3Å; S1468-H1470 PolarHBondContact OG-N 3.21Å; S1468-H1470 VanDerWaalsContact OG-N 3.11Å; S1468-Y1471 WeakPolarHBondContact O-CB 3.39Å; S1468-Y1471 WeakPolarHBondContact O-CD1 3.29Å; S1468-Y1471 PolarHBondContact O-N 3.11Å; S1468-Y1471 PolarHBondContact OG-N 3.05Å; S1468-E1474 WeakPolarHBondContact CB-OE1 3.27Å; S1468-E1474 VanDerWaalsContact OG-CD 3.29Å; S1468-E1474 PolarHBondContact OG-OE1 3.44Å |
| 1469 | A | 86.3 | Confident | 90.7 | Very high | 96 Ų | 96 | 50.9 Ų | 50.9 | 79% | 0.793 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -18.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1470 | H | 86.9 | Confident | 91 | Very high | 91 Ų | 91 | 51.2 Ų | 51.2 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 22.6 | 178 | -55.5 | -59.5 | 0 | 0 | 0 | 113.1 | P1437 S1468 R1472 Q1473 E1474 | P1437-H1470 HydrophobicContact CB-CB 3.77Å; S1468-H1470 PolarHBondContact O-N 3.3Å; S1468-H1470 PolarHBondContact OG-N 3.21Å; S1468-H1470 VanDerWaalsContact OG-N 3.11Å; H1470-R1472 PolarHBondContact O-N 3.06Å; H1470-Q1473 VanDerWaalsContact CA-OE1 3.24Å; H1470-Q1473 PolarHBondContact O-N 3.46Å; H1470-Q1473 PolarHBondContact O-OE1 2.86Å; H1470-Q1473 VanDerWaalsContact O-OE1 3.14Å; H1470-E1474 PolarHBondContact O-N 3.41Å |
| 1471 | Y | 88.6 | Confident | 91.1 | Very high | 77 Ų | 77 | 51.1 Ų | 51.1 | 30% | 0.302 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -52.9 | -32.6 | -176.1 | 71.7 | -90.4 | 0 | 0 | 0 | 113.5 | S1466 S1468 R1475 | S1466-Y1471 VanDerWaalsContact O-CB 3.23Å; S1466-Y1471 WeakPolarHBondContact O-CB 2.95Å; S1468-Y1471 WeakPolarHBondContact O-CB 3.39Å; S1468-Y1471 WeakPolarHBondContact O-CD1 3.29Å; S1468-Y1471 PolarHBondContact O-N 3.11Å; S1468-Y1471 PolarHBondContact OG-N 3.05Å; Y1471-R1475 VanDerWaalsContact O-CB 3.25Å; Y1471-R1475 WeakPolarHBondContact O-CB 3.36Å; Y1471-R1475 PolarHBondContact O-N 2.89Å |
| 1472 | R | 90.8 | Very high | 91.4 | Very high | 123 Ų | 123 | 47 Ų | 47 | 46% | 0.464 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.4 | -48.1 | 177.9 | -64.9 | 174.8 | 164.6 | 148.2 | 4.9 | 111.7 | H1470 S1476 E1514 | H1470-R1472 PolarHBondContact O-N 3.06Å; R1472-S1476 VanDerWaalsContact O-CB 3.26Å; R1472-S1476 WeakPolarHBondContact O-CB 3.42Å; R1472-S1476 PolarHBondContact O-N 2.85Å; R1472-E1514 WeakPolarHBondContact CD-OE1 3.48Å; R1472-E1514 VanDerWaalsContact CG-OE1 3.24Å; R1472-E1514 WeakPolarHBondContact CG-OE1 3.39Å; R1472-E1514 IonicContact CZ-OE1 2.77Å; R1472-E1514 IonicContact NE-OE1 2.74Å; R1472-E1514 PolarHBondContact NE-OE1 3.37Å |
| 1473 | Q | 91.3 | Very high | 91.6 | Very high | 88 Ų | 88 | 41.6 Ų | 41.6 | 41% | 0.411 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.7 | -40.6 | 179.1 | -63.9 | 86.7 | -14 | 0 | 0 | 110.8 | P1437 H1470 S1476 W1477 | P1437-Q1473 HydrophobicContact CB-CB 3.88Å; P1437-Q1473 HydrophobicContact CB-CG 4.28Å; P1437-Q1473 HydrophobicContact CG-CB 3.57Å; P1437-Q1473 HydrophobicContact CG-CG 3.94Å; H1470-Q1473 VanDerWaalsContact CA-OE1 3.24Å; H1470-Q1473 PolarHBondContact O-N 3.46Å; H1470-Q1473 PolarHBondContact O-OE1 2.86Å; H1470-Q1473 VanDerWaalsContact O-OE1 3.14Å; Q1473-S1476 PolarHBondContact O-N 2.91Å; Q1473-W1477 VanDerWaalsContact O-CB 3.27Å; Q1473-W1477 WeakPolarHBondContact O-CB 3.36Å; Q1473-W1477 PolarHBondContact O-N 3.18Å |
| 1474 | E | 92.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 175.5 | -73.4 | -176.6 | -154.2 | 0 | 0 | 112.3 | T1441 F1463 S1466 S1468 H1470 W1477 I1478 | T1441-E1474 VanDerWaalsContact OG1-CD 3.29Å; T1441-E1474 PolarHBondContact OG1-OE1 2.95Å; T1441-E1474 PolarHBondContact OG1-OE2 3.29Å; F1463-E1474 HydrophobicContact CD1-CB 4.13Å; F1463-E1474 HydrophobicContact CD1-CG 4.39Å; S1466-E1474 WeakPolarHBondContact CB-OE2 3.38Å; S1466-E1474 VanDerWaalsContact OG-CD 3.27Å; S1466-E1474 PolarHBondContact OG-OE2 3.27Å; S1468-E1474 WeakPolarHBondContact CB-OE1 3.27Å; S1468-E1474 VanDerWaalsContact OG-CD 3.29Å; S1468-E1474 PolarHBondContact OG-OE1 3.44Å; H1470-E1474 PolarHBondContact O-N 3.41Å; E1474-W1477 PolarHBondContact O-N 3.22Å; E1474-I1478 PolarHBondContact O-N 2.99Å; E1474-I1478 VanDerWaalsContact O-N 3.14Å |
| 1475 | R | 93.9 | Very high | 91.8 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 176 | -170.7 | -174.9 | -61.6 | 150.8 | 1.7 | 111.6 | F1463 F1464 Y1471 W1477 I1478 L1479 L1512 | F1463-R1475 PolarHBondContact O-N 2.8Å; F1464-R1475 HydrophobicContact CD2-CG 4.04Å; F1464-R1475 HydrophobicContact CE2-CG 4.4Å; F1464-R1475 PolarHBondContact O-NE 3.36Å; F1464-R1475 PolarHBondContact O-NH2 2.95Å; Y1471-R1475 VanDerWaalsContact O-CB 3.25Å; Y1471-R1475 WeakPolarHBondContact O-CB 3.36Å; Y1471-R1475 PolarHBondContact O-N 2.89Å; R1475-W1477 VanDerWaalsContact C-N 3.28Å; R1475-W1477 PolarHBondContact O-N 3.27Å; R1475-I1478 WeakPolarHBondContact O-CG2 2.92Å; R1475-I1478 PolarHBondContact O-N 2.91Å; R1475-L1479 HydrophobicContact CG-CD1 4.03Å; R1475-L1479 HydrophobicContact CG-CG 4.42Å; R1475-L1479 WeakPolarHBondContact O-CB 3.49Å; R1475-L1479 VanDerWaalsContact O-CG 3.22Å; R1475-L1479 WeakPolarHBondContact O-CG 3.44Å; R1475-L1479 PolarHBondContact O-N 3.28Å; R1475-L1512 PolarHBondContact NH1-O 3.09Å |
| 1476 | S | 93.2 | Very high | 92.1 | Very high | 26 Ų | 26 | 38.8 Ų | 38.8 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -41 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | R1472 Q1473 L1479 N1480 | R1472-S1476 VanDerWaalsContact O-CB 3.26Å; R1472-S1476 WeakPolarHBondContact O-CB 3.42Å; R1472-S1476 PolarHBondContact O-N 2.85Å; Q1473-S1476 PolarHBondContact O-N 2.91Å; S1476-L1479 PolarHBondContact O-N 3.45Å; S1476-N1480 WeakPolarHBondContact O-CB 3.43Å; S1476-N1480 VanDerWaalsContact O-CG 3.27Å; S1476-N1480 PolarHBondContact O-N 3.44Å; S1476-N1480 PolarHBondContact O-ND2 3.07Å; S1476-N1480 PolarHBondContact OG-ND2 3.48Å |
| 1477 | W | 94.5 | Very high | 92.3 | Very high | 35 Ų | 35 | 42.6 Ų | 42.6 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -47.1 | 179.3 | -173.4 | 90.3 | 0 | 0 | 0 | 112.7 | F1423 R1426 V1438 F1463 Q1473 E1474 R1475 N1480 L1481 | F1423-W1477 AromaticContact CD2-CH2 3.36Å; F1423-W1477 HydrophobicContact CD2-CH2 3.36Å; F1423-W1477 AromaticContact CD2-CZ3 3.74Å; F1423-W1477 HydrophobicContact CD2-CZ3 3.74Å; F1423-W1477 AromaticContact CE2-CH2 3.36Å; F1423-W1477 HydrophobicContact CE2-CH2 3.36Å; F1423-W1477 AromaticContact CE2-CZ3 3.62Å; F1423-W1477 HydrophobicContact CE2-CZ3 3.62Å; F1423-W1477 HydrophobicContact CG-CH2 4.46Å; F1423-W1477 HydrophobicContact CZ-CH2 4.46Å; R1426-W1477 HydrophobicContact CB-CZ2 3.8Å; V1438-W1477 HydrophobicContact CB-CG 4.49Å; V1438-W1477 HydrophobicContact CG1-CD2 3.81Å; V1438-W1477 HydrophobicContact CG1-CE3 3.94Å; V1438-W1477 HydrophobicContact CG1-CG 4.17Å; V1438-W1477 HydrophobicContact CG1-CZ2 4.45Å; V1438-W1477 HydrophobicContact CG1-CZ3 4.32Å; V1438-W1477 HydrophobicContact CG2-CB 3.8Å; V1438-W1477 HydrophobicContact CG2-CD2 4.24Å; V1438-W1477 HydrophobicContact CG2-CG 3.7Å; F1463-W1477 HydrophobicContact CD2-CZ3 4.27Å; F1463-W1477 HydrophobicContact CE1-CE3 4.43Å; F1463-W1477 HydrophobicContact CE1-CZ3 4.44Å; F1463-W1477 HydrophobicContact CE2-CE3 4.39Å; F1463-W1477 AromaticContact CE2-CZ3 3.8Å; F1463-W1477 HydrophobicContact CE2-CZ3 3.8Å; F1463-W1477 HydrophobicContact CZ-CE3 4.32Å; F1463-W1477 AromaticContact CZ-CZ3 3.89Å; F1463-W1477 HydrophobicContact CZ-CZ3 3.89Å; Q1473-W1477 VanDerWaalsContact O-CB 3.27Å; Q1473-W1477 WeakPolarHBondContact O-CB 3.36Å; Q1473-W1477 PolarHBondContact O-N 3.18Å; E1474-W1477 PolarHBondContact O-N 3.22Å; R1475-W1477 VanDerWaalsContact C-N 3.28Å; R1475-W1477 PolarHBondContact O-N 3.27Å; W1477-N1480 PolarHBondContact O-N 3.43Å; W1477-L1481 PolarHBondContact O-N 3.41Å |
| 1478 | I | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.2 | -36.2 | 178 | -168.9 | 71.4 | 0 | 0 | 0 | 112.3 | V1457 F1460 F1463 E1474 R1475 L1481 L1482 | V1457-I1478 HydrophobicContact CG1-CD1 4.31Å; F1460-I1478 HydrophobicContact CD2-CG1 3.92Å; F1463-I1478 HydrophobicContact CB-CB 3.7Å; F1463-I1478 HydrophobicContact CB-CG1 4.17Å; F1463-I1478 HydrophobicContact CB-CG2 3.68Å; F1463-I1478 HydrophobicContact CD2-CD1 4.09Å; F1463-I1478 HydrophobicContact CG-CB 4.31Å; E1474-I1478 PolarHBondContact O-N 2.99Å; E1474-I1478 VanDerWaalsContact O-N 3.14Å; R1475-I1478 WeakPolarHBondContact O-CG2 2.92Å; R1475-I1478 PolarHBondContact O-N 2.91Å; I1478-L1481 HydrophobicContact CD1-CD2 3.72Å; I1478-L1481 WeakPolarHBondContact O-CB 3.37Å; I1478-L1481 PolarHBondContact O-N 2.93Å; I1478-L1482 WeakPolarHBondContact O-CG 3.03Å; I1478-L1482 PolarHBondContact O-N 3.06Å |
| 1479 | L | 95.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.8 | -42 | 175.9 | -70.7 | 174.9 | 0 | 0 | 0 | 111.7 | F1464 R1475 S1476 L1481 L1482 A1483 L1504 Q1517 A1520 I1521 | F1464-L1479 HydrophobicContact CD2-CD2 4.44Å; F1464-L1479 HydrophobicContact CE2-CD2 4.2Å; R1475-L1479 HydrophobicContact CG-CD1 4.03Å; R1475-L1479 HydrophobicContact CG-CG 4.42Å; R1475-L1479 WeakPolarHBondContact O-CB 3.49Å; R1475-L1479 VanDerWaalsContact O-CG 3.22Å; R1475-L1479 WeakPolarHBondContact O-CG 3.44Å; R1475-L1479 PolarHBondContact O-N 3.28Å; S1476-L1479 PolarHBondContact O-N 3.45Å; L1479-L1481 VanDerWaalsContact C-N 3.31Å; L1479-L1481 PolarHBondContact O-N 2.59Å; L1479-L1482 PolarHBondContact O-N 3.41Å; L1479-A1483 WeakPolarHBondContact O-CB 3.13Å; L1479-A1483 PolarHBondContact O-N 3.39Å; L1479-L1504 HydrophobicContact CD2-CD2 3.4Å; L1479-Q1517 HydrophobicContact CD1-CB 3.62Å; L1479-Q1517 HydrophobicContact CD1-CG 3.92Å; L1479-A1520 HydrophobicContact CB-CB 3.68Å; L1479-I1521 HydrophobicContact CD1-CG1 4.35Å; L1479-I1521 HydrophobicContact CD2-CG1 3.94Å |
| 1480 | N | 95.2 | Very high | 93.2 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 22% | 0.219 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -37.5 | 173.7 | -74.4 | -46 | 0 | 0 | 0 | 111.6 | R1426 S1476 W1477 A1483 D1484 R1523 | R1426-N1480 VanDerWaalsContact NH1-C 3.28Å; S1476-N1480 WeakPolarHBondContact O-CB 3.43Å; S1476-N1480 VanDerWaalsContact O-CG 3.27Å; S1476-N1480 PolarHBondContact O-N 3.44Å; S1476-N1480 PolarHBondContact O-ND2 3.07Å; S1476-N1480 PolarHBondContact OG-ND2 3.48Å; W1477-N1480 PolarHBondContact O-N 3.43Å; N1480-A1483 PolarHBondContact O-N 3.27Å; N1480-D1484 WeakPolarHBondContact O-CB 3.48Å; N1480-D1484 PolarHBondContact O-N 3.46Å; N1480-D1484 VanDerWaalsContact O-OD2 3.04Å; N1480-R1523 PolarHBondContact OD1-NH2 2.58Å |
| 1481 | L | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 175.4 | 174.2 | 75.2 | 0 | 0 | 0 | 111 | I1419 L1422 F1423 W1477 I1478 L1479 D1484 G1485 | I1419-L1481 HydrophobicContact CG2-CD2 4.38Å; I1419-L1481 HydrophobicContact CG2-CG 4.44Å; L1422-L1481 HydrophobicContact CB-CD1 4.11Å; L1422-L1481 HydrophobicContact CD2-CD1 4.18Å; L1422-L1481 HydrophobicContact CG-CD1 3.93Å; F1423-L1481 HydrophobicContact CB-CD1 3.96Å; F1423-L1481 HydrophobicContact CB-CD2 3.9Å; F1423-L1481 HydrophobicContact CD2-CD2 3.83Å; F1423-L1481 HydrophobicContact CG-CD2 4.34Å; W1477-L1481 PolarHBondContact O-N 3.41Å; I1478-L1481 HydrophobicContact CD1-CD2 3.72Å; I1478-L1481 WeakPolarHBondContact O-CB 3.37Å; I1478-L1481 PolarHBondContact O-N 2.93Å; L1479-L1481 VanDerWaalsContact C-N 3.31Å; L1479-L1481 PolarHBondContact O-N 2.59Å; L1481-D1484 PolarHBondContact O-N 3.18Å; L1481-G1485 WeakPolarHBondContact O-CA 3.13Å; L1481-G1485 PolarHBondContact O-N 3.32Å |
| 1482 | L | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 178.3 | -74.2 | 174.2 | 0 | 0 | 0 | 111.2 | I1419 V1457 F1460 I1478 L1479 D1484 G1485 L1486 T1500 L1504 F1524 | I1419-L1482 HydrophobicContact CD1-CD2 4.3Å; I1419-L1482 HydrophobicContact CG2-CD2 4.44Å; V1457-L1482 HydrophobicContact CG1-CD2 3.87Å; V1457-L1482 HydrophobicContact CG2-CD2 4.07Å; F1460-L1482 HydrophobicContact CD2-CD1 3.97Å; F1460-L1482 HydrophobicContact CE2-CD1 3.68Å; I1478-L1482 WeakPolarHBondContact O-CG 3.03Å; I1478-L1482 PolarHBondContact O-N 3.06Å; L1479-L1482 PolarHBondContact O-N 3.41Å; L1482-D1484 VanDerWaalsContact C-N 3.34Å; L1482-D1484 PolarHBondContact O-N 3.09Å; L1482-G1485 PolarHBondContact O-N 3.23Å; L1482-L1486 WeakPolarHBondContact O-CB 3.27Å; L1482-L1486 PolarHBondContact O-N 3.45Å; L1482-L1486 VanDerWaalsContact O-N 3.08Å; L1482-T1500 HydrophobicContact CD1-CG2 3.74Å; L1482-T1500 HydrophobicContact CD2-CG2 4.48Å; L1482-L1504 HydrophobicContact CD1-CD1 4.4Å; L1482-F1524 HydrophobicContact CB-CD2 3.71Å; L1482-F1524 HydrophobicContact CB-CE2 3.89Å; L1482-F1524 HydrophobicContact CB-CG 4.45Å; L1482-F1524 HydrophobicContact CD2-CE2 4.26Å; L1482-F1524 WeakPolarHBondContact O-CD2 3.35Å |
| 1483 | A | 94.2 | Very high | 94.1 | Very high | 9 Ų | 9 | 27 Ų | 27 | 7% | 0.074 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1479 N1480 R1523 F1524 | L1479-A1483 WeakPolarHBondContact O-CB 3.13Å; L1479-A1483 PolarHBondContact O-N 3.39Å; N1480-A1483 PolarHBondContact O-N 3.27Å; A1483-R1523 HydrophobicContact CB-CB 3.87Å; A1483-F1524 HydrophobicContact CB-CB 4.3Å |
| 1484 | D | 94.3 | Very high | 94.2 | Very high | 50 Ų | 50 | 23.1 Ų | 23.1 | 27% | 0.267 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -85.8 | -23 | -176.9 | -57.1 | -26.8 | 0 | 0 | 0 | 112.1 | L1422 R1426 N1480 L1481 L1482 R1523 | L1422-D1484 HydrophobicContact CD2-CB 3.77Å; R1426-D1484 IonicContact CZ-OD2 3.62Å; R1426-D1484 IonicContact NH2-OD2 3.58Å; R1426-D1484 PolarHBondContact NH2-OD2 2.71Å; N1480-D1484 WeakPolarHBondContact O-CB 3.48Å; N1480-D1484 PolarHBondContact O-N 3.46Å; N1480-D1484 VanDerWaalsContact O-OD2 3.04Å; L1481-D1484 PolarHBondContact O-N 3.18Å; L1482-D1484 VanDerWaalsContact C-N 3.34Å; L1482-D1484 PolarHBondContact O-N 3.09Å; D1484-R1523 IonicContact OD1-NH1 2.98Å; D1484-R1523 PolarHBondContact OD1-NH1 3.28Å |
| 1485 | G | 94.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -92 | -23.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | F1418 I1419 L1481 L1482 R1487 | F1418-G1485 WeakPolarHBondContact CD1-O 3.36Å; I1419-G1485 WeakPolarHBondContact CG1-O 3.26Å; L1481-G1485 WeakPolarHBondContact O-CA 3.13Å; L1481-G1485 PolarHBondContact O-N 3.32Å; L1482-G1485 PolarHBondContact O-N 3.23Å; G1485-R1487 PolarHBondContact O-N 3.19Å |
| 1486 | L | 95.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | trans | -74.8 | 90.8 | -178.3 | -177.5 | 67.7 | 0 | 0 | 0 | 111.3 | I1419 L1482 D1491 F1492 F1501 F1524 A1527 A1528 I1531 | I1419-L1486 HydrophobicContact CD1-CD1 4.44Å; L1482-L1486 WeakPolarHBondContact O-CB 3.27Å; L1482-L1486 PolarHBondContact O-N 3.45Å; L1482-L1486 VanDerWaalsContact O-N 3.08Å; L1486-D1491 HydrophobicContact CD1-CB 3.86Å; L1486-F1492 HydrophobicContact CD1-CB 4.12Å; L1486-F1501 HydrophobicContact CD2-CZ 4.19Å; L1486-F1524 HydrophobicContact CB-CD2 4.03Å; L1486-F1524 HydrophobicContact CB-CE2 3.87Å; L1486-F1524 HydrophobicContact CD1-CE2 4.46Å; L1486-F1524 HydrophobicContact CD2-CD2 3.8Å; L1486-F1524 HydrophobicContact CD2-CE2 3.45Å; L1486-F1524 VanDerWaalsContact CD2-CE2 3.45Å; L1486-F1524 HydrophobicContact CD2-CZ 3.85Å; L1486-F1524 HydrophobicContact CG-CE2 4.1Å; L1486-A1527 HydrophobicContact CB-CB 4.15Å; L1486-A1527 HydrophobicContact CD2-CB 4.35Å; L1486-A1527 HydrophobicContact CG-CB 4.44Å; L1486-A1527 WeakPolarHBondContact O-CB 3.34Å; L1486-A1528 HydrophobicContact CD2-CB 3.61Å; L1486-I1531 HydrophobicContact CD1-CD1 3.78Å; L1486-I1531 HydrophobicContact CD2-CD1 4.39Å; L1486-I1531 HydrophobicContact CG-CD1 3.73Å | ||
| 1487 | R | 92.8 | Very high | 93.9 | Very high | 93 Ų | 93 | 30.9 Ų | 30.9 | 35% | 0.351 | 14% | 0.144 | S | C | . | . | trans | -122.3 | -29.5 | -176.4 | -57 | -168.6 | 90.2 | -155.9 | 7 | 114.6 | N1308 F1309 L1311 F1418 G1485 D1491 | N1308-R1487 VanDerWaalsContact C-NH1 3.31Å; F1309-R1487 PolarHBondContact O-NH1 2.84Å; L1311-R1487 HydrophobicContact CD1-CB 3.85Å; F1418-R1487 HydrophobicContact CD1-CB 4.5Å; F1418-R1487 HydrophobicContact CD1-CG 3.99Å; F1418-R1487 HydrophobicContact CE1-CG 4.26Å; G1485-R1487 PolarHBondContact O-N 3.19Å; R1487-D1491 PolarHBondContact N-OD2 3.25Å | ||
| 1488 | T | 91.9 | Very high | 93.5 | Very high | 20 Ų | 20 | 30.8 Ų | 30.8 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -124 | 171.1 | -175.7 | 72 | 0 | 0 | 0 | 0 | 112.8 | L1311 I1490 D1491 F1492 I1531 | L1311-T1488 HydrophobicContact CD1-CG2 3.77Å; T1488-I1490 VanDerWaalsContact C-N 3.26Å; T1488-I1490 PolarHBondContact O-N 3.15Å; T1488-D1491 WeakPolarHBondContact CA-OD2 3.4Å; T1488-D1491 WeakPolarHBondContact CB-OD2 3.35Å; T1488-D1491 PolarHBondContact N-OD2 3.17Å; T1488-D1491 WeakPolarHBondContact O-CB 3.38Å; T1488-D1491 PolarHBondContact O-N 2.81Å; T1488-D1491 PolarHBondContact OG1-OD2 2.72Å; T1488-F1492 PolarHBondContact O-N 2.82Å; T1488-F1492 VanDerWaalsContact O-N 3.13Å; T1488-I1531 WeakPolarHBondContact O-CD1 3.47Å |
| 1489 | T | 93.1 | Very high | 93.1 | Very high | 66 Ų | 66 | 37.2 Ų | 37.2 | 41% | 0.405 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.4 | -33.6 | 176.2 | 4.6 | 0 | 0 | 0 | 0 | 113.4 | D1491 F1492 D1493 I1531 K1533 | T1489-D1491 VanDerWaalsContact C-N 3.34Å; T1489-F1492 PolarHBondContact O-N 3.32Å; T1489-D1493 VanDerWaalsContact O-CG 3.24Å; T1489-D1493 PolarHBondContact O-N 2.89Å; T1489-I1531 HydrophobicContact CG2-CG2 4.07Å; T1489-K1533 HydrophobicContact CG2-CB 3.43Å; T1489-K1533 VanDerWaalsContact CG2-CB 3.43Å; T1489-K1533 HydrophobicContact CG2-CD 3.61Å; T1489-K1533 HydrophobicContact CG2-CG 4.15Å |
| 1490 | I | 93.4 | Very high | 92.8 | Very high | 57 Ų | 57 | 37.1 Ų | 37.1 | 29% | 0.292 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.2 | -39.9 | 178.3 | -56.4 | 174.5 | 0 | 0 | 0 | 109.9 | R1415 P1417 T1488 F1492 D1493 I1494 | R1415-I1490 HydrophobicContact CG-CD1 4.14Å; P1417-I1490 HydrophobicContact CB-CG2 4.06Å; P1417-I1490 HydrophobicContact CG-CG2 3.8Å; T1488-I1490 VanDerWaalsContact C-N 3.26Å; T1488-I1490 PolarHBondContact O-N 3.15Å; I1490-F1492 VanDerWaalsContact C-N 3.34Å; I1490-D1493 PolarHBondContact O-N 2.85Å; I1490-I1494 PolarHBondContact O-N 3.31Å |
| 1491 | D | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 175.7 | -56.8 | -54.1 | 0 | 0 | 0 | 111.5 | F1418 I1419 L1486 R1487 T1488 T1489 I1494 A1495 | F1418-D1491 WeakPolarHBondContact CA-OD1 3.31Å; F1418-D1491 PolarHBondContact N-OD1 3.11Å; I1419-D1491 HydrophobicContact CD1-CB 3.83Å; I1419-D1491 HydrophobicContact CG1-CB 4Å; I1419-D1491 PolarHBondContact N-OD1 2.92Å; I1419-D1491 VanDerWaalsContact N-OD1 3.17Å; L1486-D1491 HydrophobicContact CD1-CB 3.86Å; R1487-D1491 PolarHBondContact N-OD2 3.25Å; T1488-D1491 WeakPolarHBondContact CA-OD2 3.4Å; T1488-D1491 WeakPolarHBondContact CB-OD2 3.35Å; T1488-D1491 PolarHBondContact N-OD2 3.17Å; T1488-D1491 WeakPolarHBondContact O-CB 3.38Å; T1488-D1491 PolarHBondContact O-N 2.81Å; T1488-D1491 PolarHBondContact OG1-OD2 2.72Å; T1489-D1491 VanDerWaalsContact C-N 3.34Å; D1491-I1494 WeakPolarHBondContact O-CG1 3.49Å; D1491-A1495 PolarHBondContact O-N 3.48Å |
| 1492 | F | 95.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.4 | 172.7 | -101.7 | 0 | 0 | 0 | 111.6 | L1486 T1488 T1489 I1490 I1494 A1495 Y1496 F1501 I1531 K1533 A1534 V1537 L1538 | L1486-F1492 HydrophobicContact CD1-CB 4.12Å; T1488-F1492 PolarHBondContact O-N 2.82Å; T1488-F1492 VanDerWaalsContact O-N 3.13Å; T1489-F1492 PolarHBondContact O-N 3.32Å; I1490-F1492 VanDerWaalsContact C-N 3.34Å; F1492-I1494 PolarHBondContact O-N 3.34Å; F1492-A1495 PolarHBondContact O-N 2.94Å; F1492-Y1496 HydrophobicContact CE1-CD2 4.45Å; F1492-Y1496 HydrophobicContact CE1-CG 4.34Å; F1492-Y1496 HydrophobicContact CE2-CD2 4.32Å; F1492-Y1496 AromaticContact CZ-CD2 3.77Å; F1492-Y1496 HydrophobicContact CZ-CD2 3.77Å; F1492-Y1496 HydrophobicContact CZ-CG 4.08Å; F1492-Y1496 WeakPolarHBondContact O-CB 3.37Å; F1492-Y1496 PolarHBondContact O-N 2.87Å; F1492-F1501 AromaticContact CD2-CE2 3.62Å; F1492-F1501 HydrophobicContact CD2-CE2 3.62Å; F1492-F1501 AromaticContact CD2-CZ 3.58Å; F1492-F1501 HydrophobicContact CD2-CZ 3.58Å; F1492-F1501 HydrophobicContact CE2-CD2 4.25Å; F1492-F1501 HydrophobicContact CE2-CE1 4.47Å; F1492-F1501 AromaticContact CE2-CE2 3.48Å; F1492-F1501 HydrophobicContact CE2-CE2 3.48Å; F1492-F1501 VanDerWaalsContact CE2-CE2 3.48Å; F1492-F1501 AromaticContact CE2-CZ 3.63Å; F1492-F1501 HydrophobicContact CE2-CZ 3.63Å; F1492-I1531 HydrophobicContact CB-CD1 4.36Å; F1492-I1531 HydrophobicContact CB-CG2 4.45Å; F1492-K1533 HydrophobicContact CD1-CD 4.22Å; F1492-K1533 HydrophobicContact CD1-CG 4.28Å; F1492-K1533 HydrophobicContact CE1-CD 4.49Å; F1492-K1533 HydrophobicContact CE1-CG 4.26Å; F1492-A1534 HydrophobicContact CD1-CB 4.41Å; F1492-A1534 HydrophobicContact CD2-CB 3.31Å; F1492-A1534 HydrophobicContact CE2-CB 3.45Å; F1492-A1534 VanDerWaalsContact CE2-CB 3.45Å; F1492-A1534 HydrophobicContact CG-CB 3.84Å; F1492-A1534 HydrophobicContact CZ-CB 4.08Å; F1492-V1537 HydrophobicContact CE1-CB 4.45Å; F1492-V1537 HydrophobicContact CE1-CG2 4.43Å; F1492-V1537 HydrophobicContact CZ-CB 4.08Å; F1492-V1537 HydrophobicContact CZ-CG1 4.19Å; F1492-L1538 HydrophobicContact CE2-CD1 4.47Å; F1492-L1538 HydrophobicContact CE2-CG 4.39Å |
| 1493 | D | 94.3 | Very high | 92 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.1 | -41.8 | -176.3 | -71.9 | -22.4 | 0 | 0 | 0 | 112.5 | T1489 I1490 R1497 K1533 | T1489-D1493 VanDerWaalsContact O-CG 3.24Å; T1489-D1493 PolarHBondContact O-N 2.89Å; I1490-D1493 PolarHBondContact O-N 2.85Å; D1493-R1497 WeakPolarHBondContact O-CB 3.25Å; D1493-R1497 WeakPolarHBondContact O-CD 3.19Å; D1493-R1497 VanDerWaalsContact O-CG 3.27Å; D1493-R1497 WeakPolarHBondContact O-CG 3.3Å; D1493-R1497 PolarHBondContact O-N 3.47Å; D1493-K1533 VanDerWaalsContact OD1-CE 3.26Å; D1493-K1533 WeakPolarHBondContact OD1-CE 3.32Å; D1493-K1533 IonicContact OD1-NZ 3.78Å; D1493-K1533 PolarHBondContact OD1-NZ 3.28Å; D1493-K1533 IonicContact OD2-NZ 3.71Å; D1493-K1533 PolarHBondContact OD2-NZ 3.33Å |
| 1494 | I | 94.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.9 | -34.8 | 178.1 | 63.9 | 163.1 | 0 | 0 | 0 | 112.7 | P1417 I1419 I1420 G1455 V1457 I1490 D1491 F1492 | P1417-I1494 HydrophobicContact CB-CD1 3.57Å; P1417-I1494 HydrophobicContact CB-CG1 4.37Å; P1417-I1494 HydrophobicContact CG-CD1 3.97Å; P1417-I1494 HydrophobicContact CG-CG2 4.04Å; I1419-I1494 HydrophobicContact CB-CD1 4.16Å; I1419-I1494 HydrophobicContact CD1-CD1 4.3Å; I1419-I1494 HydrophobicContact CD1-CG1 4.46Å; I1420-I1494 HydrophobicContact CD1-CD1 4.27Å; I1420-I1494 HydrophobicContact CG1-CD1 4.11Å; G1455-I1494 WeakPolarHBondContact O-CB 2.93Å; G1455-I1494 VanDerWaalsContact O-CG2 3.28Å; G1455-I1494 WeakPolarHBondContact O-CG2 2.82Å; V1457-I1494 HydrophobicContact CG2-CD1 4.47Å; I1490-I1494 PolarHBondContact O-N 3.31Å; D1491-I1494 WeakPolarHBondContact O-CG1 3.49Å; F1492-I1494 PolarHBondContact O-N 3.34Å |
| 1495 | A | 92.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73.4 | -39 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1457 D1491 F1492 L1498 T1500 F1501 F1524 | V1457-A1495 HydrophobicContact CG2-CB 4.26Å; D1491-A1495 PolarHBondContact O-N 3.48Å; F1492-A1495 PolarHBondContact O-N 2.94Å; A1495-L1498 PolarHBondContact O-N 3.27Å; A1495-T1500 WeakPolarHBondContact O-CB 2.99Å; A1495-T1500 PolarHBondContact O-N 3Å; A1495-T1500 VanDerWaalsContact O-N 3.11Å; A1495-T1500 PolarHBondContact O-OG1 2.89Å; A1495-F1501 HydrophobicContact CB-CE2 4.1Å; A1495-F1524 HydrophobicContact CB-CZ 4.4Å |
| 1496 | Y | 91.2 | Very high | 91.5 | Very high | 74 Ų | 74 | 47.1 Ų | 47.1 | 29% | 0.29 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 178.2 | -175.5 | -98.4 | 0 | 0 | 0 | 112 | F1492 L1498 F1499 F1501 V1537 Q1541 H1542 | F1492-Y1496 HydrophobicContact CE1-CD2 4.45Å; F1492-Y1496 HydrophobicContact CE1-CG 4.34Å; F1492-Y1496 HydrophobicContact CE2-CD2 4.32Å; F1492-Y1496 AromaticContact CZ-CD2 3.77Å; F1492-Y1496 HydrophobicContact CZ-CD2 3.77Å; F1492-Y1496 HydrophobicContact CZ-CG 4.08Å; F1492-Y1496 WeakPolarHBondContact O-CB 3.37Å; F1492-Y1496 PolarHBondContact O-N 2.87Å; Y1496-L1498 VanDerWaalsContact C-N 3.28Å; Y1496-L1498 PolarHBondContact O-N 3.03Å; Y1496-F1499 PolarHBondContact O-N 2.9Å; Y1496-F1501 HydrophobicContact CD2-CD2 4.33Å; Y1496-V1537 HydrophobicContact CD2-CG1 4.29Å; Y1496-V1537 HydrophobicContact CE2-CG1 3.59Å; Y1496-Q1541 PolarHBondContact OH-OE1 3.36Å; Y1496-H1542 AromaticContact CE2-NE2 3.39Å; Y1496-H1542 WeakPolarHBondContact CE2-NE2 3.45Å; Y1496-H1542 AromaticContact CZ-NE2 3.94Å |
| 1497 | R | 89.4 | Confident | 91.4 | Very high | 137 Ų | 137 | 47.8 Ų | 47.8 | 52% | 0.517 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.6 | -33.2 | 178.2 | -82.5 | 163.7 | 35.3 | 149.4 | 5.4 | 114.7 | G1455 L1456 D1493 F1499 | G1455-R1497 VanDerWaalsContact CA-NH2 3.31Å; G1455-R1497 PolarHBondContact O-NE 3.31Å; G1455-R1497 PolarHBondContact O-NH2 3.39Å; L1456-R1497 HydrophobicContact CD2-CB 4.32Å; L1456-R1497 VanDerWaalsContact CD2-NH2 3.35Å; D1493-R1497 WeakPolarHBondContact O-CB 3.25Å; D1493-R1497 WeakPolarHBondContact O-CD 3.19Å; D1493-R1497 VanDerWaalsContact O-CG 3.27Å; D1493-R1497 WeakPolarHBondContact O-CG 3.3Å; D1493-R1497 PolarHBondContact O-N 3.47Å; R1497-F1499 PolarHBondContact O-N 2.86Å |
| 1498 | L | 85.7 | Confident | 91.3 | Very high | 33 Ų | 33 | 43.6 Ų | 43.6 | 17% | 0.173 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 8.1 | 176.6 | -83.5 | -177.7 | 0 | 0 | 0 | 113.6 | L1456 V1457 F1460 A1495 Y1496 T1500 | L1456-L1498 HydrophobicContact CB-CD1 3.95Å; L1456-L1498 HydrophobicContact CB-CD2 4.33Å; L1456-L1498 HydrophobicContact CB-CG 4.09Å; L1456-L1498 HydrophobicContact CD1-CD2 4.13Å; L1456-L1498 HydrophobicContact CD2-CD2 3.8Å; L1456-L1498 HydrophobicContact CD2-CG 3.73Å; L1456-L1498 HydrophobicContact CG-CD2 4.3Å; L1456-L1498 HydrophobicContact CG-CG 4.36Å; V1457-L1498 HydrophobicContact CB-CD1 3.78Å; V1457-L1498 HydrophobicContact CG2-CD1 4.25Å; F1460-L1498 HydrophobicContact CB-CD1 4.09Å; A1495-L1498 PolarHBondContact O-N 3.27Å; Y1496-L1498 VanDerWaalsContact C-N 3.28Å; Y1496-L1498 PolarHBondContact O-N 3.03Å; L1498-T1500 PolarHBondContact O-N 3.45Å |
| 1499 | F | 87.5 | Confident | 91.1 | Very high | 135 Ų | 135 | 47.9 Ų | 47.9 | 59% | 0.592 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 25.5 | -170.9 | -52.6 | -76.8 | 0 | 0 | 0 | 113.3 | Y1496 R1497 F1501 K1502 F1503 | Y1496-F1499 PolarHBondContact O-N 2.9Å; R1497-F1499 PolarHBondContact O-N 2.86Å; F1499-F1501 VanDerWaalsContact C-N 3.28Å; F1499-F1501 PolarHBondContact O-N 2.86Å; F1499-K1502 HydrophobicContact CB-CB 4.27Å; F1499-K1502 WeakPolarHBondContact O-CB 3.15Å; F1499-K1502 PolarHBondContact O-N 2.96Å; F1499-F1503 HydrophobicContact CB-CD2 4.31Å; F1499-F1503 HydrophobicContact CB-CE2 4.13Å; F1499-F1503 VanDerWaalsContact O-CD2 3.29Å; F1499-F1503 WeakPolarHBondContact O-CD2 2.91Å; F1499-F1503 PolarHBondContact O-N 3.2Å; F1499-F1503 VanDerWaalsContact O-N 3.11Å |
| 1500 | T | 88.4 | Confident | 90.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.1 | -44.9 | -175.4 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | F1460 L1482 A1495 L1498 K1502 F1503 L1504 F1524 | F1460-T1500 HydrophobicContact CD2-CG2 4.49Å; F1460-T1500 HydrophobicContact CE1-CG2 4.46Å; F1460-T1500 HydrophobicContact CE2-CG2 3.88Å; F1460-T1500 HydrophobicContact CZ-CG2 3.87Å; L1482-T1500 HydrophobicContact CD1-CG2 3.74Å; L1482-T1500 HydrophobicContact CD2-CG2 4.48Å; A1495-T1500 WeakPolarHBondContact O-CB 2.99Å; A1495-T1500 PolarHBondContact O-N 3Å; A1495-T1500 VanDerWaalsContact O-N 3.11Å; A1495-T1500 PolarHBondContact O-OG1 2.89Å; L1498-T1500 PolarHBondContact O-N 3.45Å; T1500-K1502 VanDerWaalsContact C-N 3.33Å; T1500-K1502 PolarHBondContact O-N 3.4Å; T1500-F1503 PolarHBondContact O-N 3.22Å; T1500-L1504 HydrophobicContact CG2-CD1 3.91Å; T1500-L1504 HydrophobicContact CG2-CG 4.13Å; T1500-L1504 VanDerWaalsContact O-CG 3.26Å; T1500-L1504 WeakPolarHBondContact O-CG 3.08Å; T1500-L1504 PolarHBondContact O-N 3.29Å; T1500-F1524 HydrophobicContact CG2-CZ 4.39Å |
| 1501 | F | 89.3 | Confident | 90.6 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58 | -41.3 | 176.9 | -68 | -85.9 | 0 | 0 | 0 | 113.2 | L1486 F1492 A1495 Y1496 F1499 L1504 F1505 F1524 A1528 L1538 | L1486-F1501 HydrophobicContact CD2-CZ 4.19Å; F1492-F1501 AromaticContact CD2-CE2 3.62Å; F1492-F1501 HydrophobicContact CD2-CE2 3.62Å; F1492-F1501 AromaticContact CD2-CZ 3.58Å; F1492-F1501 HydrophobicContact CD2-CZ 3.58Å; F1492-F1501 HydrophobicContact CE2-CD2 4.25Å; F1492-F1501 HydrophobicContact CE2-CE1 4.47Å; F1492-F1501 AromaticContact CE2-CE2 3.48Å; F1492-F1501 HydrophobicContact CE2-CE2 3.48Å; F1492-F1501 VanDerWaalsContact CE2-CE2 3.48Å; F1492-F1501 AromaticContact CE2-CZ 3.63Å; F1492-F1501 HydrophobicContact CE2-CZ 3.63Å; A1495-F1501 HydrophobicContact CB-CE2 4.1Å; Y1496-F1501 HydrophobicContact CD2-CD2 4.33Å; F1499-F1501 VanDerWaalsContact C-N 3.28Å; F1499-F1501 PolarHBondContact O-N 2.86Å; F1501-L1504 PolarHBondContact O-N 3.36Å; F1501-F1505 HydrophobicContact CB-CE2 4.48Å; F1501-F1505 HydrophobicContact CB-CZ 4.37Å; F1501-F1505 HydrophobicContact CD1-CE1 4.37Å; F1501-F1505 HydrophobicContact CD1-CZ 4.18Å; F1501-F1505 WeakPolarHBondContact O-CB 3.33Å; F1501-F1505 WeakPolarHBondContact O-CD1 3.45Å; F1501-F1505 WeakPolarHBondContact O-CG 3.13Å; F1501-F1505 PolarHBondContact O-N 2.87Å; F1501-F1524 AromaticContact CD1-CE1 3.68Å; F1501-F1524 HydrophobicContact CD1-CE1 3.68Å; F1501-F1524 HydrophobicContact CD1-CZ 4.34Å; F1501-F1524 HydrophobicContact CE1-CD1 4.24Å; F1501-F1524 AromaticContact CE1-CE1 3.31Å; F1501-F1524 HydrophobicContact CE1-CE1 3.31Å; F1501-F1524 AromaticContact CE1-CZ 3.69Å; F1501-F1524 HydrophobicContact CE1-CZ 3.69Å; F1501-F1524 HydrophobicContact CE2-CE1 4.41Å; F1501-F1524 HydrophobicContact CE2-CZ 4.13Å; F1501-F1524 HydrophobicContact CG-CE1 4.36Å; F1501-F1524 AromaticContact CZ-CE1 3.72Å; F1501-F1524 HydrophobicContact CZ-CE1 3.72Å; F1501-F1524 AromaticContact CZ-CZ 3.56Å; F1501-F1524 HydrophobicContact CZ-CZ 3.56Å; F1501-A1528 HydrophobicContact CE1-CB 3.96Å; F1501-A1528 HydrophobicContact CZ-CB 4.36Å; F1501-L1538 HydrophobicContact CB-CD2 4.13Å; F1501-L1538 HydrophobicContact CD1-CD1 3.92Å; F1501-L1538 HydrophobicContact CD1-CD2 3.83Å; F1501-L1538 HydrophobicContact CD2-CD2 4.46Å; F1501-L1538 HydrophobicContact CE1-CD1 3.77Å; F1501-L1538 HydrophobicContact CE1-CD2 4.39Å; F1501-L1538 HydrophobicContact CG-CD2 3.88Å; F1501-L1538 HydrophobicContact CZ-CD1 4.46Å |
| 1502 | K | 89.5 | Confident | 90.3 | Very high | 142 Ų | 142 | 54.9 Ų | 54.9 | 62% | 0.617 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.1 | -46.5 | 178.4 | -172.4 | -179.9 | 179 | -178.4 | 0 | 111 | F1499 T1500 S1506 | F1499-K1502 HydrophobicContact CB-CB 4.27Å; F1499-K1502 WeakPolarHBondContact O-CB 3.15Å; F1499-K1502 PolarHBondContact O-N 2.96Å; T1500-K1502 VanDerWaalsContact C-N 3.33Å; T1500-K1502 PolarHBondContact O-N 3.4Å; K1502-S1506 PolarHBondContact O-N 3.22Å; K1502-S1506 VanDerWaalsContact O-N 3.1Å; K1502-S1506 PolarHBondContact O-OG 3.43Å |
| 1503 | F | 90.9 | Very high | 90.1 | Very high | 67 Ų | 67 | 55 Ų | 55 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.7 | -48 | 175.3 | -73.1 | -66.4 | 0 | 0 | 0 | 111.4 | F1460 L1461 F1464 F1499 T1500 S1506 F1507 | F1460-F1503 HydrophobicContact CE1-CD2 4.05Å; F1460-F1503 HydrophobicContact CE1-CG 4.49Å; F1460-F1503 HydrophobicContact CZ-CB 4.45Å; L1461-F1503 HydrophobicContact CD2-CE2 4.03Å; L1461-F1503 HydrophobicContact CD2-CZ 4.14Å; F1464-F1503 HydrophobicContact CE1-CB 4.37Å; F1499-F1503 HydrophobicContact CB-CD2 4.31Å; F1499-F1503 HydrophobicContact CB-CE2 4.13Å; F1499-F1503 VanDerWaalsContact O-CD2 3.29Å; F1499-F1503 WeakPolarHBondContact O-CD2 2.91Å; F1499-F1503 PolarHBondContact O-N 3.2Å; F1499-F1503 VanDerWaalsContact O-N 3.11Å; T1500-F1503 PolarHBondContact O-N 3.22Å; F1503-S1506 PolarHBondContact O-N 3.42Å; F1503-S1506 PolarHBondContact O-OG 3.19Å; F1503-F1507 WeakPolarHBondContact O-CB 2.89Å; F1503-F1507 PolarHBondContact O-N 3.1Å |
| 1504 | L | 92.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.6 | -41.3 | -178.1 | -63.3 | -175 | 0 | 0 | 0 | 113 | F1464 L1479 L1482 T1500 F1501 F1507 Y1508 I1521 F1524 | F1464-L1504 HydrophobicContact CE2-CD2 3.76Å; F1464-L1504 HydrophobicContact CZ-CD2 4.28Å; L1479-L1504 HydrophobicContact CD2-CD2 3.4Å; L1482-L1504 HydrophobicContact CD1-CD1 4.4Å; T1500-L1504 HydrophobicContact CG2-CD1 3.91Å; T1500-L1504 HydrophobicContact CG2-CG 4.13Å; T1500-L1504 VanDerWaalsContact O-CG 3.26Å; T1500-L1504 WeakPolarHBondContact O-CG 3.08Å; T1500-L1504 PolarHBondContact O-N 3.29Å; F1501-L1504 PolarHBondContact O-N 3.36Å; L1504-F1507 PolarHBondContact O-N 3.3Å; L1504-Y1508 WeakPolarHBondContact O-CB 3.4Å; L1504-Y1508 PolarHBondContact O-N 2.95Å; L1504-I1521 HydrophobicContact CB-CG2 4.31Å; L1504-I1521 HydrophobicContact CD2-CD1 4.5Å; L1504-I1521 HydrophobicContact CD2-CG1 4.21Å; L1504-F1524 HydrophobicContact CD1-CD1 3.38Å; L1504-F1524 HydrophobicContact CD1-CE1 3.47Å; L1504-F1524 VanDerWaalsContact CD1-CE1 3.47Å; L1504-F1524 HydrophobicContact CD1-CG 4.15Å; L1504-F1524 HydrophobicContact CD1-CZ 4.27Å |
| 1505 | F | 90.7 | Very high | 89.5 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.7 | -65.5 | -6.7 | 0 | 0 | 0 | 111.4 | F1501 M1525 L1538 H1542 W1544 F1547 | F1501-F1505 HydrophobicContact CB-CE2 4.48Å; F1501-F1505 HydrophobicContact CB-CZ 4.37Å; F1501-F1505 HydrophobicContact CD1-CE1 4.37Å; F1501-F1505 HydrophobicContact CD1-CZ 4.18Å; F1501-F1505 WeakPolarHBondContact O-CB 3.33Å; F1501-F1505 WeakPolarHBondContact O-CD1 3.45Å; F1501-F1505 WeakPolarHBondContact O-CG 3.13Å; F1501-F1505 PolarHBondContact O-N 2.87Å; F1505-M1525 HydrophobicContact CD1-CE 3.47Å; F1505-M1525 VanDerWaalsContact CD1-CE 3.47Å; F1505-M1525 HydrophobicContact CE1-CE 3.52Å; F1505-M1525 HydrophobicContact CE1-CG 4.29Å; F1505-L1538 HydrophobicContact CE2-CD2 4.39Å; F1505-L1538 HydrophobicContact CZ-CD2 4.31Å; F1505-H1542 HydrophobicContact CE2-CB 4.28Å; F1505-W1544 AromaticContact CZ-CD1 3.67Å; F1505-W1544 HydrophobicContact CZ-CG 4.42Å; F1505-W1544 AromaticContact CZ-NE1 3.95Å; F1505-F1547 HydrophobicContact CB-CD2 4.16Å; F1505-F1547 HydrophobicContact CB-CE2 4Å; F1505-F1547 HydrophobicContact CD1-CD1 4.43Å; F1505-F1547 HydrophobicContact CD1-CE1 4.19Å; F1505-F1547 HydrophobicContact CD1-CE2 4.46Å; F1505-F1547 HydrophobicContact CD1-CZ 4.2Å; F1505-F1547 HydrophobicContact CE1-CE1 4.47Å; F1505-F1547 HydrophobicContact CG-CD2 4.34Å; F1505-F1547 HydrophobicContact CG-CE2 4.35Å; F1505-F1547 HydrophobicContact CG-CG 4.49Å |
| 1506 | S | 90.4 | Very high | 89.3 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 175.4 | 67.7 | 0 | 0 | 0 | 0 | 112.8 | K1502 F1503 | K1502-S1506 PolarHBondContact O-N 3.22Å; K1502-S1506 VanDerWaalsContact O-N 3.1Å; K1502-S1506 PolarHBondContact O-OG 3.43Å; F1503-S1506 PolarHBondContact O-N 3.42Å; F1503-S1506 PolarHBondContact O-OG 3.19Å |
| 1507 | F | 91.7 | Very high | 89.4 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 8% | 0.075 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.6 | -29.2 | -177.1 | -177.3 | -110.3 | 0 | 0 | 0 | 112.7 | F1464 F1503 L1504 H1509 C1510 L1512 C1513 I1521 | F1464-F1507 HydrophobicContact CE1-CB 4.46Å; F1464-F1507 HydrophobicContact CE1-CG 4.37Å; F1464-F1507 AromaticContact CE2-CD1 3.9Å; F1464-F1507 HydrophobicContact CE2-CD1 3.9Å; F1464-F1507 HydrophobicContact CE2-CE1 4.35Å; F1464-F1507 HydrophobicContact CE2-CG 4.22Å; F1464-F1507 HydrophobicContact CZ-CB 3.67Å; F1464-F1507 AromaticContact CZ-CD1 3.67Å; F1464-F1507 HydrophobicContact CZ-CD1 3.67Å; F1464-F1507 HydrophobicContact CZ-CD2 4.06Å; F1464-F1507 HydrophobicContact CZ-CE1 4.37Å; F1464-F1507 AromaticContact CZ-CG 3.51Å; F1464-F1507 HydrophobicContact CZ-CG 3.51Å; F1503-F1507 WeakPolarHBondContact O-CB 2.89Å; F1503-F1507 PolarHBondContact O-N 3.1Å; L1504-F1507 PolarHBondContact O-N 3.3Å; F1507-H1509 VanDerWaalsContact C-N 3.26Å; F1507-H1509 PolarHBondContact O-N 2.91Å; F1507-C1510 HydrophobicContact CD2-CB 3.97Å; F1507-C1510 HydrophobicContact CE2-CB 4.37Å; F1507-C1510 WeakPolarHBondContact O-CB 3.5Å; F1507-C1510 PolarHBondContact O-N 2.92Å; F1507-L1512 HydrophobicContact CE2-CB 4.14Å; F1507-C1513 HydrophobicContact CD1-CB 4.21Å; F1507-C1513 HydrophobicContact CE1-CB 3.78Å; F1507-C1513 WeakPolarHBondContact CE1-SG 3.13Å; F1507-C1513 HydrophobicContact CE2-CB 4.37Å; F1507-C1513 HydrophobicContact CZ-CB 3.84Å; F1507-C1513 VanDerWaalsContact O-CB 3.27Å; F1507-C1513 WeakPolarHBondContact O-CB 3.07Å; F1507-I1521 HydrophobicContact CD1-CD1 3.89Å; F1507-I1521 HydrophobicContact CE1-CD1 4.47Å |
| 1508 | Y | 90.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.7 | -43.7 | 177.8 | -175.5 | -84.3 | 0 | 0 | 0 | 112.4 | L1504 C1510 R1518 I1521 L1522 F1547 L1551 D1554 S1556 | L1504-Y1508 WeakPolarHBondContact O-CB 3.4Å; L1504-Y1508 PolarHBondContact O-N 2.95Å; Y1508-C1510 VanDerWaalsContact C-N 3.32Å; Y1508-R1518 HydrophobicContact CD2-CB 4.42Å; Y1508-R1518 HydrophobicContact CD2-CG 4.28Å; Y1508-R1518 HydrophobicContact CE2-CB 3.9Å; Y1508-R1518 HydrophobicContact CE2-CG 4.04Å; Y1508-I1521 HydrophobicContact CD2-CB 4.37Å; Y1508-I1521 HydrophobicContact CD2-CG2 4Å; Y1508-L1522 HydrophobicContact CE2-CD1 4.07Å; Y1508-L1522 HydrophobicContact CE2-CD2 3.87Å; Y1508-L1522 HydrophobicContact CE2-CG 3.85Å; Y1508-F1547 HydrophobicContact CD1-CZ 4.33Å; Y1508-F1547 HydrophobicContact CG-CZ 4.15Å; Y1508-L1551 HydrophobicContact CD1-CD2 3.57Å; Y1508-L1551 HydrophobicContact CE1-CD2 3.06Å; Y1508-L1551 HydrophobicContact CE2-CD2 4.19Å; Y1508-L1551 HydrophobicContact CG-CD2 4.36Å; Y1508-L1551 VanDerWaalsContact CZ-CD2 3.41Å; Y1508-D1554 PolarHBondContact OH-OD2 2.89Å; Y1508-S1556 PolarHBondContact OH-OG 2.91Å |
| 1509 | H | 88.6 | Confident | 89.7 | Confident | 109 Ų | 109 | 57.1 Ų | 57.1 | 51% | 0.505 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -2.5 | 178 | -62.5 | -69 | 0 | 0 | 0 | 114 | F1507 F1547 T1550 | F1507-H1509 VanDerWaalsContact C-N 3.26Å; F1507-H1509 PolarHBondContact O-N 2.91Å; H1509-F1547 AromaticContact CD2-CE2 3.9Å; H1509-F1547 AromaticContact NE2-CD2 3.87Å; H1509-F1547 AromaticContact NE2-CE2 3.42Å; H1509-F1547 WeakPolarHBondContact NE2-CE2 3.27Å; H1509-T1550 PolarHBondContact CE1-OG1 3.24Å; H1509-T1550 VanDerWaalsContact CE1-OG1 3.24Å; H1509-T1550 PolarHBondContact NE2-OG1 3.12Å |
| 1510 | C | 89.5 | Confident | 89.9 | Confident | 41 Ų | 41 | 50.7 Ų | 50.7 | 28% | 0.277 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -72.7 | 140 | 177.7 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | F1507 Y1508 L1512 C1513 | F1507-C1510 HydrophobicContact CD2-CB 3.97Å; F1507-C1510 HydrophobicContact CE2-CB 4.37Å; F1507-C1510 WeakPolarHBondContact O-CB 3.5Å; F1507-C1510 PolarHBondContact O-N 2.92Å; Y1508-C1510 VanDerWaalsContact C-N 3.32Å; C1510-L1512 PolarHBondContact O-N 3.48Å; C1510-L1512 VanDerWaalsContact O-N 3.14Å; C1510-C1513 VanDerWaalsContact O-CB 3.3Å; C1510-C1513 WeakPolarHBondContact O-CB 3.26Å; C1510-C1513 PolarHBondContact O-N 3.48Å |
| 1511 | S | 87.3 | Confident | 90.1 | Very high | 115 Ų | 115 | 50.7 Ų | 50.7 | 80% | 0.804 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.1 | 174.7 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | C1513 | S1511-C1513 VanDerWaalsContact C-N 3.29Å; S1511-C1513 PolarHBondContact O-N 2.94Å |
| 1512 | L | 88 | Confident | 90.3 | Very high | 114 Ų | 114 | 50.9 Ų | 50.9 | 60% | 0.597 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.3 | 176.8 | -58.3 | 176.9 | 0 | 0 | 0 | 113.9 | R1475 F1507 C1510 E1514 | R1475-L1512 PolarHBondContact NH1-O 3.09Å; F1507-L1512 HydrophobicContact CE2-CB 4.14Å; C1510-L1512 PolarHBondContact O-N 3.48Å; C1510-L1512 VanDerWaalsContact O-N 3.14Å; L1512-E1514 PolarHBondContact O-N 3.32Å |
| 1513 | C | 90.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | trans | -85.2 | 110.5 | -179.3 | -164.7 | 0 | 0 | 0 | 0 | 111 | F1507 C1510 S1511 R1518 | F1507-C1513 HydrophobicContact CD1-CB 4.21Å; F1507-C1513 HydrophobicContact CE1-CB 3.78Å; F1507-C1513 WeakPolarHBondContact CE1-SG 3.13Å; F1507-C1513 HydrophobicContact CE2-CB 4.37Å; F1507-C1513 HydrophobicContact CZ-CB 3.84Å; F1507-C1513 VanDerWaalsContact O-CB 3.27Å; F1507-C1513 WeakPolarHBondContact O-CB 3.07Å; C1510-C1513 VanDerWaalsContact O-CB 3.3Å; C1510-C1513 WeakPolarHBondContact O-CB 3.26Å; C1510-C1513 PolarHBondContact O-N 3.48Å; S1511-C1513 VanDerWaalsContact C-N 3.29Å; S1511-C1513 PolarHBondContact O-N 2.94Å; C1513-R1518 HydrophobicContact CB-CG 4.28Å; C1513-R1518 PolarHBondContact O-NE 3.22Å; C1513-R1518 PolarHBondContact O-NH2 3.44Å; C1513-R1518 WeakPolarHBondContact SG-CG 3Å | ||
| 1514 | E | 89.5 | Confident | 90.6 | Very high | 54 Ų | 54 | 44.8 Ų | 44.8 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | trans | -72.8 | 157 | 179 | -67.1 | 176.5 | 173.9 | 0 | 0 | 112.3 | R1472 L1512 S1516 Q1517 R1518 | R1472-E1514 WeakPolarHBondContact CD-OE1 3.48Å; R1472-E1514 VanDerWaalsContact CG-OE1 3.24Å; R1472-E1514 WeakPolarHBondContact CG-OE1 3.39Å; R1472-E1514 IonicContact CZ-OE1 2.77Å; R1472-E1514 IonicContact NE-OE1 2.74Å; R1472-E1514 PolarHBondContact NE-OE1 3.37Å; L1512-E1514 PolarHBondContact O-N 3.32Å; E1514-S1516 VanDerWaalsContact C-N 3.28Å; E1514-S1516 PolarHBondContact O-N 3.44Å; E1514-Q1517 HydrophobicContact CB-CB 4.42Å; E1514-Q1517 HydrophobicContact CB-CG 4.07Å; E1514-Q1517 WeakPolarHBondContact O-CA 3.49Å; E1514-Q1517 WeakPolarHBondContact O-CB 3.33Å; E1514-Q1517 PolarHBondContact O-N 3.43Å; E1514-Q1517 PolarHBondContact OE2-NE2 3.5Å; E1514-R1518 PolarHBondContact O-N 3.42Å | ||
| 1515 | P | 87.6 | Confident | 90.6 | Very high | 104 Ų | 104 | 44.9 Ų | 44.9 | 68% | 0.675 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -56 | -38.8 | 179 | -26.3 | 34.8 | 0 | 0 | 0 | 114.2 | Q1517 R1518 S1519 | P1515-Q1517 VanDerWaalsContact C-N 3.33Å; P1515-Q1517 PolarHBondContact O-N 3.03Å; P1515-R1518 PolarHBondContact O-N 2.96Å; P1515-S1519 PolarHBondContact O-N 3.16Å |
| 1516 | S | 88.4 | Confident | 90.7 | Very high | 61 Ų | 61 | 44.9 Ų | 44.9 | 43% | 0.427 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 175.7 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | E1514 A1520 | E1514-S1516 VanDerWaalsContact C-N 3.28Å; E1514-S1516 PolarHBondContact O-N 3.44Å; S1516-A1520 PolarHBondContact O-N 3.43Å; S1516-A1520 VanDerWaalsContact O-N 3.1Å |
| 1517 | Q | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.8 | -41.8 | 177.6 | -62 | 172.2 | 8.8 | 0 | 0 | 110.8 | L1479 E1514 P1515 S1519 A1520 I1521 | L1479-Q1517 HydrophobicContact CD1-CB 3.62Å; L1479-Q1517 HydrophobicContact CD1-CG 3.92Å; E1514-Q1517 HydrophobicContact CB-CB 4.42Å; E1514-Q1517 HydrophobicContact CB-CG 4.07Å; E1514-Q1517 WeakPolarHBondContact O-CA 3.49Å; E1514-Q1517 WeakPolarHBondContact O-CB 3.33Å; E1514-Q1517 PolarHBondContact O-N 3.43Å; E1514-Q1517 PolarHBondContact OE2-NE2 3.5Å; P1515-Q1517 VanDerWaalsContact C-N 3.33Å; P1515-Q1517 PolarHBondContact O-N 3.03Å; Q1517-S1519 VanDerWaalsContact C-N 3.35Å; Q1517-S1519 PolarHBondContact O-N 3.39Å; Q1517-A1520 PolarHBondContact O-N 3.39Å; Q1517-I1521 VanDerWaalsContact O-CG1 3.3Å; Q1517-I1521 WeakPolarHBondContact O-CG1 3.33Å; Q1517-I1521 PolarHBondContact O-N 2.82Å |
| 1518 | R | 91.2 | Very high | 90.9 | Very high | 78 Ų | 78 | 41.1 Ų | 41.1 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.3 | -47.3 | 171.7 | -69.6 | -174.7 | -173.2 | 156 | 7.3 | 111.2 | Y1508 C1513 E1514 P1515 A1520 I1521 L1522 | Y1508-R1518 HydrophobicContact CD2-CB 4.42Å; Y1508-R1518 HydrophobicContact CD2-CG 4.28Å; Y1508-R1518 HydrophobicContact CE2-CB 3.9Å; Y1508-R1518 HydrophobicContact CE2-CG 4.04Å; C1513-R1518 HydrophobicContact CB-CG 4.28Å; C1513-R1518 PolarHBondContact O-NE 3.22Å; C1513-R1518 PolarHBondContact O-NH2 3.44Å; C1513-R1518 WeakPolarHBondContact SG-CG 3Å; E1514-R1518 PolarHBondContact O-N 3.42Å; P1515-R1518 PolarHBondContact O-N 2.96Å; R1518-A1520 VanDerWaalsContact C-N 3.32Å; R1518-A1520 PolarHBondContact O-N 2.85Å; R1518-I1521 PolarHBondContact O-N 3.26Å; R1518-L1522 WeakPolarHBondContact O-CD1 3.41Å; R1518-L1522 VanDerWaalsContact O-CG 3.24Å; R1518-L1522 WeakPolarHBondContact O-CG 3.28Å; R1518-L1522 PolarHBondContact O-N 3.29Å |
| 1519 | S | 90.2 | Very high | 91 | Very high | 51 Ų | 51 | 41 Ų | 41 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.4 | -42.6 | 175.9 | 175.6 | 0 | 0 | 0 | 0 | 112.6 | P1515 Q1517 L1522 R1523 | P1515-S1519 PolarHBondContact O-N 3.16Å; Q1517-S1519 VanDerWaalsContact C-N 3.35Å; Q1517-S1519 PolarHBondContact O-N 3.39Å; S1519-L1522 PolarHBondContact O-N 3.35Å; S1519-R1523 PolarHBondContact O-N 2.74Å |
| 1520 | A | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1479 S1516 Q1517 R1518 L1522 R1523 F1524 | L1479-A1520 HydrophobicContact CB-CB 3.68Å; S1516-A1520 PolarHBondContact O-N 3.43Å; S1516-A1520 VanDerWaalsContact O-N 3.1Å; Q1517-A1520 PolarHBondContact O-N 3.39Å; R1518-A1520 VanDerWaalsContact C-N 3.32Å; R1518-A1520 PolarHBondContact O-N 2.85Å; A1520-L1522 VanDerWaalsContact C-N 3.34Å; A1520-L1522 PolarHBondContact O-N 3.06Å; A1520-R1523 PolarHBondContact O-N 3.01Å; A1520-F1524 WeakPolarHBondContact O-CB 3.42Å; A1520-F1524 PolarHBondContact O-N 3.31Å |
| 1521 | I | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 175.3 | -67.3 | 166.6 | 0 | 0 | 0 | 111.1 | L1479 L1504 F1507 Y1508 Q1517 R1518 F1524 M1525 | L1479-I1521 HydrophobicContact CD1-CG1 4.35Å; L1479-I1521 HydrophobicContact CD2-CG1 3.94Å; L1504-I1521 HydrophobicContact CB-CG2 4.31Å; L1504-I1521 HydrophobicContact CD2-CD1 4.5Å; L1504-I1521 HydrophobicContact CD2-CG1 4.21Å; F1507-I1521 HydrophobicContact CD1-CD1 3.89Å; F1507-I1521 HydrophobicContact CE1-CD1 4.47Å; Y1508-I1521 HydrophobicContact CD2-CB 4.37Å; Y1508-I1521 HydrophobicContact CD2-CG2 4Å; Q1517-I1521 VanDerWaalsContact O-CG1 3.3Å; Q1517-I1521 WeakPolarHBondContact O-CG1 3.33Å; Q1517-I1521 PolarHBondContact O-N 2.82Å; R1518-I1521 PolarHBondContact O-N 3.26Å; I1521-F1524 WeakPolarHBondContact O-CB 3.28Å; I1521-F1524 PolarHBondContact O-N 3.46Å; I1521-M1525 HydrophobicContact CG2-CE 3.37Å; I1521-M1525 HydrophobicContact CG2-SD 4.28Å; I1521-M1525 WeakPolarHBondContact O-CG 3.48Å; I1521-M1525 PolarHBondContact O-N 3.23Å |
| 1522 | L | 92.2 | Very high | 91.1 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 178.1 | -67.1 | 163.9 | 0 | 0 | 0 | 111.8 | Y1508 R1518 S1519 A1520 F1524 M1525 L1526 L1551 S1556 I1559 | Y1508-L1522 HydrophobicContact CE2-CD1 4.07Å; Y1508-L1522 HydrophobicContact CE2-CD2 3.87Å; Y1508-L1522 HydrophobicContact CE2-CG 3.85Å; R1518-L1522 WeakPolarHBondContact O-CD1 3.41Å; R1518-L1522 VanDerWaalsContact O-CG 3.24Å; R1518-L1522 WeakPolarHBondContact O-CG 3.28Å; R1518-L1522 PolarHBondContact O-N 3.29Å; S1519-L1522 PolarHBondContact O-N 3.35Å; A1520-L1522 VanDerWaalsContact C-N 3.34Å; A1520-L1522 PolarHBondContact O-N 3.06Å; L1522-F1524 VanDerWaalsContact C-N 3.32Å; L1522-F1524 PolarHBondContact O-N 3.3Å; L1522-M1525 HydrophobicContact CD2-SD 4.28Å; L1522-M1525 WeakPolarHBondContact O-CB 3.42Å; L1522-M1525 PolarHBondContact O-N 2.62Å; L1522-L1526 PolarHBondContact O-N 2.98Å; L1522-L1551 HydrophobicContact CD2-CD1 3.69Å; L1522-S1556 WeakPolarHBondContact CD1-OG 3.49Å; L1522-I1559 HydrophobicContact CB-CB 4.47Å; L1522-I1559 HydrophobicContact CB-CD1 3.6Å; L1522-I1559 HydrophobicContact CB-CG2 4.03Å; L1522-I1559 HydrophobicContact CD1-CD1 3.95Å; L1522-I1559 HydrophobicContact CG-CD1 4.34Å |
| 1523 | R | 93 | Very high | 91.1 | Very high | 79 Ų | 79 | 37.1 Ų | 37.1 | 30% | 0.298 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 171.9 | -78 | -173.2 | -72.4 | 121.5 | -1.9 | 112.2 | N1480 A1483 D1484 S1519 A1520 L1526 A1527 | N1480-R1523 PolarHBondContact OD1-NH2 2.58Å; A1483-R1523 HydrophobicContact CB-CB 3.87Å; D1484-R1523 IonicContact OD1-NH1 2.98Å; D1484-R1523 PolarHBondContact OD1-NH1 3.28Å; S1519-R1523 PolarHBondContact O-N 2.74Å; A1520-R1523 PolarHBondContact O-N 3.01Å; R1523-L1526 WeakPolarHBondContact O-CB 3.18Å; R1523-L1526 PolarHBondContact O-N 3.1Å; R1523-A1527 WeakPolarHBondContact O-CB 3.37Å; R1523-A1527 PolarHBondContact O-N 3.07Å |
| 1524 | F | 94 | Very high | 91.2 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 173.5 | 177.2 | -105.6 | 0 | 0 | 0 | 112.4 | L1482 A1483 L1486 A1495 T1500 F1501 L1504 A1520 I1521 L1522 A1527 A1528 | L1482-F1524 HydrophobicContact CB-CD2 3.71Å; L1482-F1524 HydrophobicContact CB-CE2 3.89Å; L1482-F1524 HydrophobicContact CB-CG 4.45Å; L1482-F1524 HydrophobicContact CD2-CE2 4.26Å; L1482-F1524 WeakPolarHBondContact O-CD2 3.35Å; A1483-F1524 HydrophobicContact CB-CB 4.3Å; L1486-F1524 HydrophobicContact CB-CD2 4.03Å; L1486-F1524 HydrophobicContact CB-CE2 3.87Å; L1486-F1524 HydrophobicContact CD1-CE2 4.46Å; L1486-F1524 HydrophobicContact CD2-CD2 3.8Å; L1486-F1524 HydrophobicContact CD2-CE2 3.45Å; L1486-F1524 VanDerWaalsContact CD2-CE2 3.45Å; L1486-F1524 HydrophobicContact CD2-CZ 3.85Å; L1486-F1524 HydrophobicContact CG-CE2 4.1Å; A1495-F1524 HydrophobicContact CB-CZ 4.4Å; T1500-F1524 HydrophobicContact CG2-CZ 4.39Å; F1501-F1524 AromaticContact CD1-CE1 3.68Å; F1501-F1524 HydrophobicContact CD1-CE1 3.68Å; F1501-F1524 HydrophobicContact CD1-CZ 4.34Å; F1501-F1524 HydrophobicContact CE1-CD1 4.24Å; F1501-F1524 AromaticContact CE1-CE1 3.31Å; F1501-F1524 HydrophobicContact CE1-CE1 3.31Å; F1501-F1524 AromaticContact CE1-CZ 3.69Å; F1501-F1524 HydrophobicContact CE1-CZ 3.69Å; F1501-F1524 HydrophobicContact CE2-CE1 4.41Å; F1501-F1524 HydrophobicContact CE2-CZ 4.13Å; F1501-F1524 HydrophobicContact CG-CE1 4.36Å; F1501-F1524 AromaticContact CZ-CE1 3.72Å; F1501-F1524 HydrophobicContact CZ-CE1 3.72Å; F1501-F1524 AromaticContact CZ-CZ 3.56Å; F1501-F1524 HydrophobicContact CZ-CZ 3.56Å; L1504-F1524 HydrophobicContact CD1-CD1 3.38Å; L1504-F1524 HydrophobicContact CD1-CE1 3.47Å; L1504-F1524 VanDerWaalsContact CD1-CE1 3.47Å; L1504-F1524 HydrophobicContact CD1-CG 4.15Å; L1504-F1524 HydrophobicContact CD1-CZ 4.27Å; A1520-F1524 WeakPolarHBondContact O-CB 3.42Å; A1520-F1524 PolarHBondContact O-N 3.31Å; I1521-F1524 WeakPolarHBondContact O-CB 3.28Å; I1521-F1524 PolarHBondContact O-N 3.46Å; L1522-F1524 VanDerWaalsContact C-N 3.32Å; L1522-F1524 PolarHBondContact O-N 3.3Å; F1524-A1527 WeakPolarHBondContact O-CB 3.49Å; F1524-A1527 PolarHBondContact O-N 3.29Å; F1524-A1528 PolarHBondContact O-N 3.28Å |
| 1525 | M | 92.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 174.1 | -68.8 | 167.7 | -176 | 0 | 0 | 112.2 | F1505 I1521 L1522 A1527 A1528 S1529 W1544 F1547 L1551 | F1505-M1525 HydrophobicContact CD1-CE 3.47Å; F1505-M1525 VanDerWaalsContact CD1-CE 3.47Å; F1505-M1525 HydrophobicContact CE1-CE 3.52Å; F1505-M1525 HydrophobicContact CE1-CG 4.29Å; I1521-M1525 HydrophobicContact CG2-CE 3.37Å; I1521-M1525 HydrophobicContact CG2-SD 4.28Å; I1521-M1525 WeakPolarHBondContact O-CG 3.48Å; I1521-M1525 PolarHBondContact O-N 3.23Å; L1522-M1525 HydrophobicContact CD2-SD 4.28Å; L1522-M1525 WeakPolarHBondContact O-CB 3.42Å; L1522-M1525 PolarHBondContact O-N 2.62Å; M1525-A1527 VanDerWaalsContact C-N 3.33Å; M1525-A1527 PolarHBondContact O-N 3.09Å; M1525-A1528 WeakPolarHBondContact O-CB 3.33Å; M1525-A1528 PolarHBondContact O-N 2.93Å; M1525-S1529 PolarHBondContact O-N 2.53Å; M1525-W1544 HydrophobicContact CB-CZ2 4.36Å; M1525-F1547 HydrophobicContact CE-CD1 4.22Å; M1525-F1547 HydrophobicContact CE-CE1 3.16Å; M1525-F1547 HydrophobicContact CE-CZ 3.42Å; M1525-F1547 VanDerWaalsContact CE-CZ 3.42Å; M1525-F1547 HydrophobicContact SD-CE1 3.64Å; M1525-F1547 HydrophobicContact SD-CZ 4.39Å; M1525-L1551 HydrophobicContact SD-CD1 4.3Å |
| 1526 | L | 92.6 | Very high | 91 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 174.2 | 179.7 | 63.9 | 0 | 0 | 0 | 111.4 | L1522 R1523 S1529 I1559 E1562 V1563 | L1522-L1526 PolarHBondContact O-N 2.98Å; R1523-L1526 WeakPolarHBondContact O-CB 3.18Å; R1523-L1526 PolarHBondContact O-N 3.1Å; L1526-S1529 WeakPolarHBondContact O-CB 3Å; L1526-S1529 PolarHBondContact O-N 2.82Å; L1526-S1529 PolarHBondContact O-OG 3.4Å; L1526-I1559 HydrophobicContact CB-CG2 4.37Å; L1526-E1562 HydrophobicContact CD1-CB 3.96Å; L1526-E1562 VanDerWaalsContact CD1-CD 3.45Å; L1526-E1562 HydrophobicContact CD1-CG 3.63Å; L1526-E1562 WeakPolarHBondContact CD2-OE1 3.39Å; L1526-E1562 WeakPolarHBondContact CD2-OE2 3.29Å; L1526-V1563 HydrophobicContact CB-CG2 4.23Å; L1526-V1563 HydrophobicContact CD1-CG2 4.07Å |
| 1527 | A | 92.5 | Very high | 91 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 13% | 0.132 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1486 R1523 F1524 M1525 S1529 K1530 | L1486-A1527 HydrophobicContact CB-CB 4.15Å; L1486-A1527 HydrophobicContact CD2-CB 4.35Å; L1486-A1527 HydrophobicContact CG-CB 4.44Å; L1486-A1527 WeakPolarHBondContact O-CB 3.34Å; R1523-A1527 WeakPolarHBondContact O-CB 3.37Å; R1523-A1527 PolarHBondContact O-N 3.07Å; F1524-A1527 WeakPolarHBondContact O-CB 3.49Å; F1524-A1527 PolarHBondContact O-N 3.29Å; M1525-A1527 VanDerWaalsContact C-N 3.33Å; M1525-A1527 PolarHBondContact O-N 3.09Å; A1527-S1529 VanDerWaalsContact C-N 3.31Å; A1527-S1529 PolarHBondContact O-N 3.24Å; A1527-K1530 PolarHBondContact O-N 3.16Å |
| 1528 | A | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -37.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1486 F1501 F1524 M1525 K1530 I1531 A1534 L1538 | L1486-A1528 HydrophobicContact CD2-CB 3.61Å; F1501-A1528 HydrophobicContact CE1-CB 3.96Å; F1501-A1528 HydrophobicContact CZ-CB 4.36Å; F1524-A1528 PolarHBondContact O-N 3.28Å; M1525-A1528 WeakPolarHBondContact O-CB 3.33Å; M1525-A1528 PolarHBondContact O-N 2.93Å; A1528-K1530 PolarHBondContact O-N 3.25Å; A1528-K1530 VanDerWaalsContact O-N 3.15Å; A1528-I1531 PolarHBondContact O-N 3.18Å; A1528-A1534 HydrophobicContact CB-CB 4.38Å; A1528-A1534 WeakPolarHBondContact O-CB 3.45Å; A1528-L1538 HydrophobicContact CB-CD1 4.3Å |
| 1529 | S | 92.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.4 | -21.6 | 179.4 | 81.5 | 0 | 0 | 0 | 0 | 114 | M1525 L1526 A1527 I1531 V1535 S1566 | M1525-S1529 PolarHBondContact O-N 2.53Å; L1526-S1529 WeakPolarHBondContact O-CB 3Å; L1526-S1529 PolarHBondContact O-N 2.82Å; L1526-S1529 PolarHBondContact O-OG 3.4Å; A1527-S1529 VanDerWaalsContact C-N 3.31Å; A1527-S1529 PolarHBondContact O-N 3.24Å; S1529-I1531 VanDerWaalsContact C-N 3.35Å; S1529-V1535 WeakPolarHBondContact O-CG2 3.39Å; S1529-S1566 VanDerWaalsContact OG-CB 3.23Å; S1529-S1566 WeakPolarHBondContact OG-CB 3.32Å |
| 1530 | K | 90.1 | Very high | 90.3 | Very high | 134 Ų | 134 | 30.1 Ų | 30.1 | 58% | 0.583 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -11 | 177.9 | -63.3 | 174.6 | -176.4 | 175.9 | 0 | 112.6 | A1527 A1528 | A1527-K1530 PolarHBondContact O-N 3.16Å; A1528-K1530 PolarHBondContact O-N 3.25Å; A1528-K1530 VanDerWaalsContact O-N 3.15Å |
| 1531 | I | 90.8 | Very high | 89.9 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | trans | -101.9 | 114.8 | -178.3 | -58.2 | 167.9 | 0 | 0 | 0 | 109.8 | L1486 T1488 T1489 F1492 A1528 S1529 K1533 A1534 V1535 | L1486-I1531 HydrophobicContact CD1-CD1 3.78Å; L1486-I1531 HydrophobicContact CD2-CD1 4.39Å; L1486-I1531 HydrophobicContact CG-CD1 3.73Å; T1488-I1531 WeakPolarHBondContact O-CD1 3.47Å; T1489-I1531 HydrophobicContact CG2-CG2 4.07Å; F1492-I1531 HydrophobicContact CB-CD1 4.36Å; F1492-I1531 HydrophobicContact CB-CG2 4.45Å; A1528-I1531 PolarHBondContact O-N 3.18Å; S1529-I1531 VanDerWaalsContact C-N 3.35Å; I1531-K1533 PolarHBondContact O-N 3.15Å; I1531-A1534 HydrophobicContact CB-CB 3.93Å; I1531-A1534 HydrophobicContact CG2-CB 4.12Å; I1531-A1534 WeakPolarHBondContact O-CB 3.38Å; I1531-A1534 PolarHBondContact O-N 2.72Å; I1531-A1534 VanDerWaalsContact O-N 3.09Å; I1531-V1535 PolarHBondContact O-N 2.8Å; I1531-V1535 VanDerWaalsContact O-N 3.16Å | ||
| 1532 | P | 86.3 | Confident | 89.5 | Confident | 68 Ų | 68 | 39 Ų | 39 | 44% | 0.442 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.3 | -40.8 | -175 | -27.4 | 35.1 | 0 | 0 | 0 | 115 | A1534 V1535 N1536 F1570 | P1532-A1534 VanDerWaalsContact C-N 3.32Å; P1532-A1534 PolarHBondContact O-N 2.68Å; P1532-V1535 PolarHBondContact O-N 3.42Å; P1532-N1536 PolarHBondContact O-N 3.01Å; P1532-N1536 VanDerWaalsContact O-N 3.15Å; P1532-F1570 HydrophobicContact CB-CD2 4.39Å |
| 1533 | K | 88.7 | Confident | 89.1 | Confident | 89 Ų | 89 | 44 Ų | 44 | 39% | 0.387 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 177.5 | -171.1 | -178.6 | -176.7 | -178.3 | 0 | 111.5 | T1489 F1492 D1493 I1531 N1536 V1537 | T1489-K1533 HydrophobicContact CG2-CB 3.43Å; T1489-K1533 VanDerWaalsContact CG2-CB 3.43Å; T1489-K1533 HydrophobicContact CG2-CD 3.61Å; T1489-K1533 HydrophobicContact CG2-CG 4.15Å; F1492-K1533 HydrophobicContact CD1-CD 4.22Å; F1492-K1533 HydrophobicContact CD1-CG 4.28Å; F1492-K1533 HydrophobicContact CE1-CD 4.49Å; F1492-K1533 HydrophobicContact CE1-CG 4.26Å; D1493-K1533 VanDerWaalsContact OD1-CE 3.26Å; D1493-K1533 WeakPolarHBondContact OD1-CE 3.32Å; D1493-K1533 IonicContact OD1-NZ 3.78Å; D1493-K1533 PolarHBondContact OD1-NZ 3.28Å; D1493-K1533 IonicContact OD2-NZ 3.71Å; D1493-K1533 PolarHBondContact OD2-NZ 3.33Å; I1531-K1533 PolarHBondContact O-N 3.15Å; K1533-N1536 PolarHBondContact O-N 3.13Å; K1533-V1537 WeakPolarHBondContact O-CG2 3.08Å; K1533-V1537 PolarHBondContact O-N 3.26Å; K1533-V1537 VanDerWaalsContact O-N 3.11Å |
| 1534 | A | 90.8 | Very high | 89 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.6 | -48 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1492 A1528 I1531 P1532 N1536 V1537 L1538 | F1492-A1534 HydrophobicContact CD1-CB 4.41Å; F1492-A1534 HydrophobicContact CD2-CB 3.31Å; F1492-A1534 HydrophobicContact CE2-CB 3.45Å; F1492-A1534 VanDerWaalsContact CE2-CB 3.45Å; F1492-A1534 HydrophobicContact CG-CB 3.84Å; F1492-A1534 HydrophobicContact CZ-CB 4.08Å; A1528-A1534 HydrophobicContact CB-CB 4.38Å; A1528-A1534 WeakPolarHBondContact O-CB 3.45Å; I1531-A1534 HydrophobicContact CB-CB 3.93Å; I1531-A1534 HydrophobicContact CG2-CB 4.12Å; I1531-A1534 WeakPolarHBondContact O-CB 3.38Å; I1531-A1534 PolarHBondContact O-N 2.72Å; I1531-A1534 VanDerWaalsContact O-N 3.09Å; P1532-A1534 VanDerWaalsContact C-N 3.32Å; P1532-A1534 PolarHBondContact O-N 2.68Å; A1534-N1536 VanDerWaalsContact C-N 3.34Å; A1534-N1536 PolarHBondContact O-N 3.45Å; A1534-V1537 PolarHBondContact O-N 3.43Å; A1534-L1538 HydrophobicContact CB-CD1 4.42Å; A1534-L1538 VanDerWaalsContact O-CB 3.25Å; A1534-L1538 WeakPolarHBondContact O-CB 3.3Å; A1534-L1538 WeakPolarHBondContact O-CG 3.38Å; A1534-L1538 PolarHBondContact O-N 3.23Å |
| 1535 | V | 88.9 | Confident | 88.7 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.5 | -48 | 176.9 | 179.6 | 0 | 0 | 0 | 0 | 111 | S1529 I1531 P1532 V1537 C1539 W1544 I1567 F1570 | S1529-V1535 WeakPolarHBondContact O-CG2 3.39Å; I1531-V1535 PolarHBondContact O-N 2.8Å; I1531-V1535 VanDerWaalsContact O-N 3.16Å; P1532-V1535 PolarHBondContact O-N 3.42Å; V1535-V1537 PolarHBondContact O-N 3.45Å; V1535-C1539 WeakPolarHBondContact O-CB 3.41Å; V1535-C1539 PolarHBondContact O-N 2.86Å; V1535-C1539 PolarHBondContact O-SG 3.34Å; V1535-C1539 VanDerWaalsContact O-SG 3.36Å; V1535-W1544 HydrophobicContact CB-CZ3 4.48Å; V1535-W1544 HydrophobicContact CG1-CZ3 4.49Å; V1535-W1544 HydrophobicContact CG2-CZ3 4.16Å; V1535-I1567 HydrophobicContact CG1-CB 4.37Å; V1535-I1567 HydrophobicContact CG1-CG1 4.06Å; V1535-I1567 HydrophobicContact CG1-CG2 3.98Å; V1535-I1567 HydrophobicContact CG2-CG1 4.34Å; V1535-F1570 HydrophobicContact CB-CD1 4.21Å; V1535-F1570 HydrophobicContact CB-CG 4.25Å; V1535-F1570 HydrophobicContact CG1-CB 4Å; V1535-F1570 HydrophobicContact CG1-CD1 3.51Å; V1535-F1570 HydrophobicContact CG1-CE1 4.25Å; V1535-F1570 HydrophobicContact CG1-CG 3.85Å |
| 1536 | N | 84.7 | Confident | 88.5 | Confident | 56 Ų | 56 | 41.7 Ų | 41.7 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.8 | -49.3 | -179.8 | -167.9 | 21 | 0 | 0 | 0 | 112.4 | P1532 K1533 A1534 K1540 F1570 | P1532-N1536 PolarHBondContact O-N 3.01Å; P1532-N1536 VanDerWaalsContact O-N 3.15Å; K1533-N1536 PolarHBondContact O-N 3.13Å; A1534-N1536 VanDerWaalsContact C-N 3.34Å; A1534-N1536 PolarHBondContact O-N 3.45Å; N1536-K1540 VanDerWaalsContact O-CB 3.31Å; N1536-K1540 WeakPolarHBondContact O-CB 3.3Å; N1536-K1540 VanDerWaalsContact O-CG 3.31Å; N1536-K1540 WeakPolarHBondContact O-CG 3.37Å; N1536-K1540 PolarHBondContact O-N 2.91Å; N1536-K1540 WeakPolarHBondContact OD1-CD 3.32Å; N1536-K1540 WeakPolarHBondContact OD1-CE 3.26Å; N1536-K1540 PolarHBondContact OD1-NZ 3.32Å; N1536-F1570 HydrophobicContact CB-CE1 3.91Å; N1536-F1570 HydrophobicContact CB-CE2 4.11Å; N1536-F1570 HydrophobicContact CB-CZ 3.38Å |
| 1537 | V | 88 | Confident | 88.3 | Confident | 24 Ų | 24 | 41.7 Ų | 41.7 | 15% | 0.145 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70 | -47.4 | -176.8 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | F1492 Y1496 K1533 A1534 V1535 K1540 Q1541 | F1492-V1537 HydrophobicContact CE1-CB 4.45Å; F1492-V1537 HydrophobicContact CE1-CG2 4.43Å; F1492-V1537 HydrophobicContact CZ-CB 4.08Å; F1492-V1537 HydrophobicContact CZ-CG1 4.19Å; Y1496-V1537 HydrophobicContact CD2-CG1 4.29Å; Y1496-V1537 HydrophobicContact CE2-CG1 3.59Å; K1533-V1537 WeakPolarHBondContact O-CG2 3.08Å; K1533-V1537 PolarHBondContact O-N 3.26Å; K1533-V1537 VanDerWaalsContact O-N 3.11Å; A1534-V1537 PolarHBondContact O-N 3.43Å; V1535-V1537 PolarHBondContact O-N 3.45Å; V1537-K1540 PolarHBondContact O-N 3.4Å; V1537-Q1541 WeakPolarHBondContact O-CB 3.11Å; V1537-Q1541 PolarHBondContact O-N 2.78Å |
| 1538 | L | 90.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.3 | -43 | -176.5 | -66.3 | 174.8 | 0 | 0 | 0 | 112 | F1492 F1501 F1505 A1528 A1534 H1542 W1544 | F1492-L1538 HydrophobicContact CE2-CD1 4.47Å; F1492-L1538 HydrophobicContact CE2-CG 4.39Å; F1501-L1538 HydrophobicContact CB-CD2 4.13Å; F1501-L1538 HydrophobicContact CD1-CD1 3.92Å; F1501-L1538 HydrophobicContact CD1-CD2 3.83Å; F1501-L1538 HydrophobicContact CD2-CD2 4.46Å; F1501-L1538 HydrophobicContact CE1-CD1 3.77Å; F1501-L1538 HydrophobicContact CE1-CD2 4.39Å; F1501-L1538 HydrophobicContact CG-CD2 3.88Å; F1501-L1538 HydrophobicContact CZ-CD1 4.46Å; F1505-L1538 HydrophobicContact CE2-CD2 4.39Å; F1505-L1538 HydrophobicContact CZ-CD2 4.31Å; A1528-L1538 HydrophobicContact CB-CD1 4.3Å; A1534-L1538 HydrophobicContact CB-CD1 4.42Å; A1534-L1538 VanDerWaalsContact O-CB 3.25Å; A1534-L1538 WeakPolarHBondContact O-CB 3.3Å; A1534-L1538 WeakPolarHBondContact O-CG 3.38Å; A1534-L1538 PolarHBondContact O-N 3.23Å; L1538-H1542 HydrophobicContact CD2-CB 4.36Å; L1538-H1542 CarbonylContact O-C 3.47Å; L1538-H1542 WeakPolarHBondContact O-CA 3.1Å; L1538-H1542 WeakPolarHBondContact O-CB 3.27Å; L1538-H1542 PolarHBondContact O-N 2.82Å; L1538-H1542 VanDerWaalsContact O-N 3.1Å; L1538-W1544 HydrophobicContact CB-CB 3.93Å; L1538-W1544 HydrophobicContact CB-CD2 3.93Å; L1538-W1544 HydrophobicContact CB-CE3 3.74Å; L1538-W1544 HydrophobicContact CB-CG 4.05Å; L1538-W1544 HydrophobicContact CD1-CD2 4.24Å; L1538-W1544 HydrophobicContact CD1-CE3 4.22Å; L1538-W1544 HydrophobicContact CD1-CZ3 4.38Å; L1538-W1544 WeakPolarHBondContact O-CB 3.23Å; L1538-W1544 PolarHBondContact O-N 2.87Å |
| 1539 | C | 87.1 | Confident | 87.8 | Confident | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.054 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 176.7 | -73.8 | 0 | 0 | 0 | 0 | 112 | V1535 L1582 | V1535-C1539 WeakPolarHBondContact O-CB 3.41Å; V1535-C1539 PolarHBondContact O-N 2.86Å; V1535-C1539 PolarHBondContact O-SG 3.34Å; V1535-C1539 VanDerWaalsContact O-SG 3.36Å; C1539-L1582 HydrophobicContact CB-CD1 4.05Å; C1539-L1582 HydrophobicContact CB-CD2 3.8Å; C1539-L1582 WeakPolarHBondContact O-CD2 3.46Å |
| 1540 | K | 82.7 | Confident | 87.5 | Confident | 116 Ų | 116 | 46.9 Ų | 46.9 | 50% | 0.504 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -79.9 | -40.7 | -176.4 | -71 | -177.3 | 177.6 | 177.6 | 0 | 114.2 | N1536 V1537 C1579 L1582 | N1536-K1540 VanDerWaalsContact O-CB 3.31Å; N1536-K1540 WeakPolarHBondContact O-CB 3.3Å; N1536-K1540 VanDerWaalsContact O-CG 3.31Å; N1536-K1540 WeakPolarHBondContact O-CG 3.37Å; N1536-K1540 PolarHBondContact O-N 2.91Å; N1536-K1540 WeakPolarHBondContact OD1-CD 3.32Å; N1536-K1540 WeakPolarHBondContact OD1-CE 3.26Å; N1536-K1540 PolarHBondContact OD1-NZ 3.32Å; V1537-K1540 PolarHBondContact O-N 3.4Å; K1540-C1579 WeakPolarHBondContact CE-SG 3.07Å; K1540-L1582 HydrophobicContact CG-CD1 3.99Å |
| 1541 | Q | 83.5 | Confident | 87.3 | Confident | 127 Ų | 127 | 40.6 Ų | 40.6 | 59% | 0.593 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -105.6 | -21 | -168.8 | -60.1 | 179.8 | -1.7 | 0 | 0 | 113.9 | Y1496 V1537 | Y1496-Q1541 PolarHBondContact OH-OE1 3.36Å; V1537-Q1541 WeakPolarHBondContact O-CB 3.11Å; V1537-Q1541 PolarHBondContact O-N 2.78Å |
| 1542 | H | 83.4 | Confident | 86.9 | Confident | 59 Ų | 59 | 40.3 Ų | 40.3 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -118.2 | 12.1 | -172.4 | -70.8 | -79.1 | 0 | 0 | 0 | 114.4 | Y1496 F1505 L1538 W1544 | Y1496-H1542 AromaticContact CE2-NE2 3.39Å; Y1496-H1542 WeakPolarHBondContact CE2-NE2 3.45Å; Y1496-H1542 AromaticContact CZ-NE2 3.94Å; F1505-H1542 HydrophobicContact CE2-CB 4.28Å; L1538-H1542 HydrophobicContact CD2-CB 4.36Å; L1538-H1542 CarbonylContact O-C 3.47Å; L1538-H1542 WeakPolarHBondContact O-CA 3.1Å; L1538-H1542 WeakPolarHBondContact O-CB 3.27Å; L1538-H1542 PolarHBondContact O-N 2.82Å; L1538-H1542 VanDerWaalsContact O-N 3.1Å; H1542-W1544 PolarHBondContact O-N 3.16Å; H1542-W1544 VanDerWaalsContact O-N 3.15Å |
| 1543 | N | 84.9 | Confident | 86.3 | Confident | 112 Ų | 112 | 45 Ų | 45 | 60% | 0.599 | 23% | 0.227 | S | C | * | . | trans | 46.5 | 43.8 | -175.7 | -171.2 | 21.9 | 0 | 0 | 0 | 112.2 | L1545 G1546 F1547 | N1543-L1545 PolarHBondContact O-N 3.24Å; N1543-G1546 WeakPolarHBondContact O-CA 3.4Å; N1543-G1546 PolarHBondContact O-N 2.94Å; N1543-G1546 WeakPolarHBondContact OD1-CA 3.49Å; N1543-G1546 PolarHBondContact OD1-N 3.32Å; N1543-F1547 PolarHBondContact O-N 3.43Å | ||
| 1544 | W | 90.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -33 | -172.1 | -171.6 | 32.4 | 0 | 0 | 0 | 112.5 | F1505 M1525 V1535 L1538 H1542 F1547 L1548 V1563 I1567 | F1505-W1544 AromaticContact CZ-CD1 3.67Å; F1505-W1544 HydrophobicContact CZ-CG 4.42Å; F1505-W1544 AromaticContact CZ-NE1 3.95Å; M1525-W1544 HydrophobicContact CB-CZ2 4.36Å; V1535-W1544 HydrophobicContact CB-CZ3 4.48Å; V1535-W1544 HydrophobicContact CG1-CZ3 4.49Å; V1535-W1544 HydrophobicContact CG2-CZ3 4.16Å; L1538-W1544 HydrophobicContact CB-CB 3.93Å; L1538-W1544 HydrophobicContact CB-CD2 3.93Å; L1538-W1544 HydrophobicContact CB-CE3 3.74Å; L1538-W1544 HydrophobicContact CB-CG 4.05Å; L1538-W1544 HydrophobicContact CD1-CD2 4.24Å; L1538-W1544 HydrophobicContact CD1-CE3 4.22Å; L1538-W1544 HydrophobicContact CD1-CZ3 4.38Å; L1538-W1544 WeakPolarHBondContact O-CB 3.23Å; L1538-W1544 PolarHBondContact O-N 2.87Å; H1542-W1544 PolarHBondContact O-N 3.16Å; H1542-W1544 VanDerWaalsContact O-N 3.15Å; W1544-F1547 PolarHBondContact O-N 3.17Å; W1544-L1548 VanDerWaalsContact O-CG 3.29Å; W1544-L1548 WeakPolarHBondContact O-CG 3.3Å; W1544-L1548 PolarHBondContact O-N 2.94Å; W1544-V1563 HydrophobicContact CH2-CG1 3.89Å; W1544-V1563 HydrophobicContact CZ2-CG1 3.77Å; W1544-I1567 HydrophobicContact CE3-CD1 3.87Å; W1544-I1567 HydrophobicContact CH2-CD1 3.83Å; W1544-I1567 HydrophobicContact CH2-CG1 4.21Å; W1544-I1567 HydrophobicContact CZ2-CD1 4.48Å; W1544-I1567 HydrophobicContact CZ3-CD1 3.47Å; W1544-I1567 VanDerWaalsContact CZ3-CD1 3.47Å; W1544-I1567 HydrophobicContact CZ3-CG1 3.83Å |
| 1545 | L | 88.5 | Confident | 84.4 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 173.6 | -65.2 | 169.8 | 0 | 0 | 0 | 112.1 | N1543 L1548 L1549 L1564 L1582 W1586 | N1543-L1545 PolarHBondContact O-N 3.24Å; L1545-L1548 HydrophobicContact CD2-CD1 4.45Å; L1545-L1548 PolarHBondContact O-N 3.44Å; L1545-L1549 PolarHBondContact O-N 3.03Å; L1545-L1564 HydrophobicContact CD2-CD2 4.31Å; L1545-L1582 HydrophobicContact CD1-CB 4.26Å; L1545-L1582 HydrophobicContact CD1-CD2 4.04Å; L1545-L1582 VanDerWaalsContact CD1-O 3.26Å; L1545-L1582 WeakPolarHBondContact CD1-O 3.3Å; L1545-W1586 HydrophobicContact CD1-CB 4.48Å; L1545-W1586 HydrophobicContact CD2-CB 4.29Å |
| 1546 | G | 87.6 | Confident | 83.8 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1543 L1549 T1550 | N1543-G1546 WeakPolarHBondContact O-CA 3.4Å; N1543-G1546 PolarHBondContact O-N 2.94Å; N1543-G1546 WeakPolarHBondContact OD1-CA 3.49Å; N1543-G1546 PolarHBondContact OD1-N 3.32Å; G1546-L1549 WeakPolarHBondContact O-CB 3.32Å; G1546-L1549 PolarHBondContact O-N 3.24Å; G1546-T1550 PolarHBondContact O-N 2.72Å |
| 1547 | F | 88.5 | Confident | 83.7 | Confident | 22 Ų | 22 | 49.3 Ų | 49.3 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 172.5 | 175.1 | -92.3 | 0 | 0 | 0 | 111.8 | F1505 Y1508 H1509 M1525 N1543 W1544 L1549 T1550 L1551 | F1505-F1547 HydrophobicContact CB-CD2 4.16Å; F1505-F1547 HydrophobicContact CB-CE2 4Å; F1505-F1547 HydrophobicContact CD1-CD1 4.43Å; F1505-F1547 HydrophobicContact CD1-CE1 4.19Å; F1505-F1547 HydrophobicContact CD1-CE2 4.46Å; F1505-F1547 HydrophobicContact CD1-CZ 4.2Å; F1505-F1547 HydrophobicContact CE1-CE1 4.47Å; F1505-F1547 HydrophobicContact CG-CD2 4.34Å; F1505-F1547 HydrophobicContact CG-CE2 4.35Å; F1505-F1547 HydrophobicContact CG-CG 4.49Å; Y1508-F1547 HydrophobicContact CD1-CZ 4.33Å; Y1508-F1547 HydrophobicContact CG-CZ 4.15Å; H1509-F1547 AromaticContact CD2-CE2 3.9Å; H1509-F1547 AromaticContact NE2-CD2 3.87Å; H1509-F1547 AromaticContact NE2-CE2 3.42Å; H1509-F1547 WeakPolarHBondContact NE2-CE2 3.27Å; M1525-F1547 HydrophobicContact CE-CD1 4.22Å; M1525-F1547 HydrophobicContact CE-CE1 3.16Å; M1525-F1547 HydrophobicContact CE-CZ 3.42Å; M1525-F1547 VanDerWaalsContact CE-CZ 3.42Å; M1525-F1547 HydrophobicContact SD-CE1 3.64Å; M1525-F1547 HydrophobicContact SD-CZ 4.39Å; N1543-F1547 PolarHBondContact O-N 3.43Å; W1544-F1547 PolarHBondContact O-N 3.17Å; F1547-L1549 PolarHBondContact O-N 3.14Å; F1547-T1550 WeakPolarHBondContact O-CB 3.49Å; F1547-T1550 PolarHBondContact O-N 2.91Å; F1547-T1550 PolarHBondContact O-OG1 3.09Å; F1547-L1551 HydrophobicContact CD1-CD1 4.26Å; F1547-L1551 HydrophobicContact CD1-CG 4.47Å; F1547-L1551 HydrophobicContact CE1-CD1 3.57Å; F1547-L1551 HydrophobicContact CE1-CD2 4.26Å; F1547-L1551 HydrophobicContact CE1-CG 3.97Å; F1547-L1551 HydrophobicContact CZ-CD1 4.17Å; F1547-L1551 HydrophobicContact CZ-CD2 4.08Å; F1547-L1551 HydrophobicContact CZ-CG 4.28Å; F1547-L1551 PolarHBondContact O-N 3.48Å |
| 1548 | L | 90.1 | Very high | 83.6 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.5 | -35.3 | 176.1 | -70.4 | 175 | 0 | 0 | 0 | 112.2 | W1544 L1545 T1550 L1551 C1552 V1560 V1563 L1564 I1567 | W1544-L1548 VanDerWaalsContact O-CG 3.29Å; W1544-L1548 WeakPolarHBondContact O-CG 3.3Å; W1544-L1548 PolarHBondContact O-N 2.94Å; L1545-L1548 HydrophobicContact CD2-CD1 4.45Å; L1545-L1548 PolarHBondContact O-N 3.44Å; L1548-T1550 VanDerWaalsContact C-N 3.29Å; L1548-T1550 PolarHBondContact O-N 2.83Å; L1548-L1551 HydrophobicContact CD2-CD1 4.24Å; L1548-L1551 WeakPolarHBondContact O-CA 3.45Å; L1548-L1551 WeakPolarHBondContact O-CB 3.35Å; L1548-L1551 PolarHBondContact O-N 3.25Å; L1548-C1552 PolarHBondContact O-N 3.44Å; L1548-C1552 PolarHBondContact O-SG 3.44Å; L1548-V1560 HydrophobicContact CB-CG1 4.11Å; L1548-V1560 HydrophobicContact CD2-CG1 4.32Å; L1548-V1560 HydrophobicContact CD2-CG2 4.45Å; L1548-V1563 HydrophobicContact CD1-CG1 3.75Å; L1548-V1563 HydrophobicContact CD2-CG1 4.09Å; L1548-L1564 HydrophobicContact CD1-CD2 4.36Å; L1548-I1567 HydrophobicContact CD1-CD1 3.93Å |
| 1549 | L | 86.3 | Confident | 83.3 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.5 | -38 | 175.3 | -169.9 | 70.5 | 0 | 0 | 0 | 112.2 | L1545 G1546 F1547 L1551 C1552 T1592 | L1545-L1549 PolarHBondContact O-N 3.03Å; G1546-L1549 WeakPolarHBondContact O-CB 3.32Å; G1546-L1549 PolarHBondContact O-N 3.24Å; F1547-L1549 PolarHBondContact O-N 3.14Å; L1549-L1551 PolarHBondContact O-N 2.99Å; L1549-C1552 WeakPolarHBondContact O-CB 3.46Å; L1549-C1552 PolarHBondContact O-N 3.39Å; L1549-T1592 HydrophobicContact CD1-CG2 3.84Å; L1549-T1592 WeakPolarHBondContact CD1-OG1 3.4Å |
| 1550 | T | 86.9 | Confident | 83.3 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.1 | -25.8 | 175 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | H1509 G1546 F1547 L1548 | H1509-T1550 PolarHBondContact CE1-OG1 3.24Å; H1509-T1550 VanDerWaalsContact CE1-OG1 3.24Å; H1509-T1550 PolarHBondContact NE2-OG1 3.12Å; G1546-T1550 PolarHBondContact O-N 2.72Å; F1547-T1550 WeakPolarHBondContact O-CB 3.49Å; F1547-T1550 PolarHBondContact O-N 2.91Å; F1547-T1550 PolarHBondContact O-OG1 3.09Å; L1548-T1550 VanDerWaalsContact C-N 3.29Å; L1548-T1550 PolarHBondContact O-N 2.83Å |
| 1551 | L | 85.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -80.4 | -17.9 | 177.7 | -59 | -171.3 | 0 | 0 | 0 | 113.1 | Y1508 L1522 M1525 F1547 L1548 L1549 Q1553 D1554 V1560 | Y1508-L1551 HydrophobicContact CD1-CD2 3.57Å; Y1508-L1551 HydrophobicContact CE1-CD2 3.06Å; Y1508-L1551 HydrophobicContact CE2-CD2 4.19Å; Y1508-L1551 HydrophobicContact CG-CD2 4.36Å; Y1508-L1551 VanDerWaalsContact CZ-CD2 3.41Å; L1522-L1551 HydrophobicContact CD2-CD1 3.69Å; M1525-L1551 HydrophobicContact SD-CD1 4.3Å; F1547-L1551 HydrophobicContact CD1-CD1 4.26Å; F1547-L1551 HydrophobicContact CD1-CG 4.47Å; F1547-L1551 HydrophobicContact CE1-CD1 3.57Å; F1547-L1551 HydrophobicContact CE1-CD2 4.26Å; F1547-L1551 HydrophobicContact CE1-CG 3.97Å; F1547-L1551 HydrophobicContact CZ-CD1 4.17Å; F1547-L1551 HydrophobicContact CZ-CD2 4.08Å; F1547-L1551 HydrophobicContact CZ-CG 4.28Å; F1547-L1551 PolarHBondContact O-N 3.48Å; L1548-L1551 HydrophobicContact CD2-CD1 4.24Å; L1548-L1551 WeakPolarHBondContact O-CA 3.45Å; L1548-L1551 WeakPolarHBondContact O-CB 3.35Å; L1548-L1551 PolarHBondContact O-N 3.25Å; L1549-L1551 PolarHBondContact O-N 2.99Å; L1551-Q1553 PolarHBondContact O-N 3.36Å; L1551-D1554 PolarHBondContact O-N 3.39Å; L1551-D1554 VanDerWaalsContact O-N 3.13Å; L1551-V1560 HydrophobicContact CB-CG2 3.52Å; L1551-V1560 HydrophobicContact CD1-CG2 4.13Å; L1551-V1560 HydrophobicContact CG-CG2 4.48Å |
| 1552 | C | 82 | Confident | 83.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.1 | 175.9 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | L1548 L1549 V1557 T1592 E1596 | L1548-C1552 PolarHBondContact O-N 3.44Å; L1548-C1552 PolarHBondContact O-SG 3.44Å; L1549-C1552 WeakPolarHBondContact O-CB 3.46Å; L1549-C1552 PolarHBondContact O-N 3.39Å; C1552-V1557 WeakPolarHBondContact O-CG2 3.39Å; C1552-T1592 HydrophobicContact CB-CG2 3.84Å; C1552-E1596 WeakPolarHBondContact O-CB 3.17Å; C1552-E1596 WeakPolarHBondContact O-CG 3.19Å |
| 1553 | Q | 73.8 | Confident | 84.2 | Confident | 166 Ų | 166 | 40.1 Ų | 40.1 | 78% | 0.776 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.9 | 177.1 | -64.5 | 178.4 | -10.8 | 0 | 0 | 113.3 | L1551 | L1551-Q1553 PolarHBondContact O-N 3.36Š|
| 1554 | D | 69.6 | Low | 84.4 | Confident | 53 Ų | 53 | 34.8 Ų | 34.8 | 28% | 0.283 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -101.9 | 170.5 | -173.9 | -160.7 | -0.8 | 0 | 0 | 0 | 111.6 | Y1508 L1551 S1556 V1557 | Y1508-D1554 PolarHBondContact OH-OD2 2.89Å; L1551-D1554 PolarHBondContact O-N 3.39Å; L1551-D1554 VanDerWaalsContact O-N 3.13Å; D1554-S1556 PolarHBondContact O-N 3.49Å; D1554-V1557 WeakPolarHBondContact O-CG2 3.26Å |
| 1555 | Q | 70 | Confident | 84.4 | Confident | 160 Ų | 160 | 35.2 Ų | 35.2 | 75% | 0.748 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -4.6 | 174.7 | -62.9 | -173.3 | 2.4 | 0 | 0 | 113.6 | ||
| 1556 | S | 75.7 | Confident | 84.3 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 12% | 0.119 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.5 | -172.9 | -55.1 | 0 | 0 | 0 | 0 | 114.6 | Y1508 L1522 D1554 W1558 I1559 V1560 | Y1508-S1556 PolarHBondContact OH-OG 2.91Å; L1522-S1556 WeakPolarHBondContact CD1-OG 3.49Å; D1554-S1556 PolarHBondContact O-N 3.49Å; S1556-W1558 VanDerWaalsContact C-N 3.25Å; S1556-W1558 PolarHBondContact O-N 3.36Å; S1556-W1558 VanDerWaalsContact O-N 3.12Å; S1556-I1559 PolarHBondContact O-N 3.11Å; S1556-V1560 PolarHBondContact O-N 3.35Å |
| 1557 | V | 83.5 | Confident | 84.3 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -51.5 | -39.4 | -172.6 | 178.4 | 0 | 0 | 0 | 0 | 113.4 | C1552 D1554 I1559 V1560 V1561 A1593 E1596 A1597 | C1552-V1557 WeakPolarHBondContact O-CG2 3.39Å; D1554-V1557 WeakPolarHBondContact O-CG2 3.26Å; V1557-I1559 VanDerWaalsContact C-N 3.29Å; V1557-I1559 PolarHBondContact O-N 2.8Å; V1557-V1560 CarbonylContact O-C 3.57Å; V1557-V1560 WeakPolarHBondContact O-CA 3.25Å; V1557-V1560 VanDerWaalsContact O-CB 3.26Å; V1557-V1560 WeakPolarHBondContact O-CB 3.17Å; V1557-V1560 PolarHBondContact O-N 3.46Å; V1557-V1561 HydrophobicContact CG1-CG2 4.32Å; V1557-V1561 WeakPolarHBondContact O-CG2 3.43Å; V1557-V1561 PolarHBondContact O-N 3.25Å; V1557-A1593 HydrophobicContact CG1-CB 4.3Å; V1557-A1593 VanDerWaalsContact CG1-O 3.26Å; V1557-A1593 WeakPolarHBondContact CG1-O 3.27Å; V1557-E1596 HydrophobicContact CG2-CB 4.44Å; V1557-A1597 HydrophobicContact CG1-CB 3.66Å |
| 1558 | W | 85.1 | Confident | 84.1 | Confident | 35 Ų | 35 | 35.1 Ų | 35.1 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -31.2 | -177.6 | -67.8 | 113.6 | 0 | 0 | 0 | 113.9 | S1556 V1561 E1562 A1597 K1598 I1599 D1604 A1608 | S1556-W1558 VanDerWaalsContact C-N 3.25Å; S1556-W1558 PolarHBondContact O-N 3.36Å; S1556-W1558 VanDerWaalsContact O-N 3.12Å; W1558-V1561 HydrophobicContact CE3-CB 4.35Å; W1558-V1561 HydrophobicContact CE3-CG1 4.42Å; W1558-V1561 HydrophobicContact CE3-CG2 4.23Å; W1558-V1561 HydrophobicContact CZ3-CG2 4.48Å; W1558-V1561 WeakPolarHBondContact O-CB 3.18Å; W1558-V1561 PolarHBondContact O-N 2.93Å; W1558-E1562 PolarHBondContact O-N 3.43Å; W1558-E1562 VanDerWaalsContact O-N 3.08Å; W1558-A1597 HydrophobicContact CH2-CB 3.89Å; W1558-A1597 HydrophobicContact CZ2-CB 3.71Å; W1558-A1597 HydrophobicContact CZ3-CB 4.46Å; W1558-K1598 WeakPolarHBondContact CZ2-O 3.38Å; W1558-K1598 PolarHBondContact NE1-O 3.47Å; W1558-I1599 HydrophobicContact CH2-CG1 4.06Å; W1558-I1599 HydrophobicContact CZ2-CB 4.26Å; W1558-I1599 HydrophobicContact CZ2-CG1 4.01Å; W1558-D1604 HydrophobicContact CD2-CB 3.73Å; W1558-D1604 HydrophobicContact CE3-CB 3.84Å; W1558-D1604 HydrophobicContact CG-CB 4.48Å; W1558-D1604 HydrophobicContact CH2-CB 3.73Å; W1558-D1604 WeakPolarHBondContact CH2-O 3.31Å; W1558-D1604 HydrophobicContact CZ2-CB 3.62Å; W1558-D1604 HydrophobicContact CZ3-CB 3.85Å; W1558-D1604 WeakPolarHBondContact CZ3-O 3.44Å; W1558-A1608 HydrophobicContact CH2-CB 3.88Å; W1558-A1608 HydrophobicContact CZ3-CB 3.8Å |
| 1559 | I | 84.9 | Confident | 83.5 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.1 | -36.4 | 173.6 | -59.6 | 173.2 | 0 | 0 | 0 | 109.9 | L1522 L1526 S1556 V1557 V1561 E1562 V1563 | L1522-I1559 HydrophobicContact CB-CB 4.47Å; L1522-I1559 HydrophobicContact CB-CD1 3.6Å; L1522-I1559 HydrophobicContact CB-CG2 4.03Å; L1522-I1559 HydrophobicContact CD1-CD1 3.95Å; L1522-I1559 HydrophobicContact CG-CD1 4.34Å; L1526-I1559 HydrophobicContact CB-CG2 4.37Å; S1556-I1559 PolarHBondContact O-N 3.11Å; V1557-I1559 VanDerWaalsContact C-N 3.29Å; V1557-I1559 PolarHBondContact O-N 2.8Å; I1559-V1561 VanDerWaalsContact C-N 3.31Å; I1559-V1561 PolarHBondContact O-N 2.91Å; I1559-E1562 PolarHBondContact O-N 3.45Å; I1559-V1563 HydrophobicContact CG2-CG2 4.3Å; I1559-V1563 WeakPolarHBondContact O-CB 3.44Å; I1559-V1563 VanDerWaalsContact O-CG2 3.25Å; I1559-V1563 WeakPolarHBondContact O-CG2 3.18Å; I1559-V1563 PolarHBondContact O-N 3.3Å |
| 1560 | V | 87.3 | Confident | 83 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 172 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | L1548 L1551 S1556 V1557 E1562 V1563 L1564 A1593 | L1548-V1560 HydrophobicContact CB-CG1 4.11Å; L1548-V1560 HydrophobicContact CD2-CG1 4.32Å; L1548-V1560 HydrophobicContact CD2-CG2 4.45Å; L1551-V1560 HydrophobicContact CB-CG2 3.52Å; L1551-V1560 HydrophobicContact CD1-CG2 4.13Å; L1551-V1560 HydrophobicContact CG-CG2 4.48Å; S1556-V1560 PolarHBondContact O-N 3.35Å; V1557-V1560 CarbonylContact O-C 3.57Å; V1557-V1560 WeakPolarHBondContact O-CA 3.25Å; V1557-V1560 VanDerWaalsContact O-CB 3.26Å; V1557-V1560 WeakPolarHBondContact O-CB 3.17Å; V1557-V1560 PolarHBondContact O-N 3.46Å; V1560-E1562 PolarHBondContact O-N 3.44Å; V1560-V1563 PolarHBondContact O-N 2.88Å; V1560-L1564 HydrophobicContact CG1-CD1 3.94Å; V1560-L1564 HydrophobicContact CG1-CG 4.22Å; V1560-L1564 WeakPolarHBondContact O-CB 3.47Å; V1560-L1564 VanDerWaalsContact O-CG 3.24Å; V1560-L1564 WeakPolarHBondContact O-CG 3.45Å; V1560-L1564 PolarHBondContact O-N 2.98Å; V1560-A1593 HydrophobicContact CG1-CB 4.44Å |
| 1561 | V | 88 | Confident | 82.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58 | -45.7 | 175.7 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | V1557 W1558 I1559 L1564 C1565 A1593 L1607 L1611 | V1557-V1561 HydrophobicContact CG1-CG2 4.32Å; V1557-V1561 WeakPolarHBondContact O-CG2 3.43Å; V1557-V1561 PolarHBondContact O-N 3.25Å; W1558-V1561 HydrophobicContact CE3-CB 4.35Å; W1558-V1561 HydrophobicContact CE3-CG1 4.42Å; W1558-V1561 HydrophobicContact CE3-CG2 4.23Å; W1558-V1561 HydrophobicContact CZ3-CG2 4.48Å; W1558-V1561 WeakPolarHBondContact O-CB 3.18Å; W1558-V1561 PolarHBondContact O-N 2.93Å; I1559-V1561 VanDerWaalsContact C-N 3.31Å; I1559-V1561 PolarHBondContact O-N 2.91Å; V1561-L1564 PolarHBondContact O-N 2.78Å; V1561-C1565 PolarHBondContact O-N 3.26Å; V1561-C1565 PolarHBondContact O-SG 2.93Å; V1561-A1593 HydrophobicContact CG2-CB 4.12Å; V1561-L1607 HydrophobicContact CG1-CB 3.96Å; V1561-L1611 HydrophobicContact CB-CD2 4.12Å; V1561-L1611 HydrophobicContact CG1-CB 3.92Å; V1561-L1611 HydrophobicContact CG1-CD2 3.76Å; V1561-L1611 HydrophobicContact CG1-CG 4.42Å; V1561-L1611 HydrophobicContact CG2-CD2 3.87Å |
| 1562 | E | 88.9 | Confident | 81.8 | Confident | 61 Ų | 61 | 41.6 Ų | 41.6 | 29% | 0.285 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.3 | -40.7 | 178.7 | -162.9 | -172.7 | 162.3 | 0 | 0 | 112.3 | L1526 W1558 I1559 V1560 C1565 S1566 L1607 | L1526-E1562 HydrophobicContact CD1-CB 3.96Å; L1526-E1562 VanDerWaalsContact CD1-CD 3.45Å; L1526-E1562 HydrophobicContact CD1-CG 3.63Å; L1526-E1562 WeakPolarHBondContact CD2-OE1 3.39Å; L1526-E1562 WeakPolarHBondContact CD2-OE2 3.29Å; W1558-E1562 PolarHBondContact O-N 3.43Å; W1558-E1562 VanDerWaalsContact O-N 3.08Å; I1559-E1562 PolarHBondContact O-N 3.45Å; V1560-E1562 PolarHBondContact O-N 3.44Å; E1562-C1565 WeakPolarHBondContact O-CB 3.49Å; E1562-C1565 PolarHBondContact O-N 2.85Å; E1562-S1566 PolarHBondContact O-N 3.14Å; E1562-S1566 PolarHBondContact O-OG 3.25Å; E1562-L1607 HydrophobicContact CG-CD2 4.33Å |
| 1563 | V | 90.2 | Very high | 81 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 173.8 | 167.5 | 0 | 0 | 0 | 0 | 110.4 | L1526 W1544 L1548 I1559 V1560 C1565 S1566 I1567 | L1526-V1563 HydrophobicContact CB-CG2 4.23Å; L1526-V1563 HydrophobicContact CD1-CG2 4.07Å; W1544-V1563 HydrophobicContact CH2-CG1 3.89Å; W1544-V1563 HydrophobicContact CZ2-CG1 3.77Å; L1548-V1563 HydrophobicContact CD1-CG1 3.75Å; L1548-V1563 HydrophobicContact CD2-CG1 4.09Å; I1559-V1563 HydrophobicContact CG2-CG2 4.3Å; I1559-V1563 WeakPolarHBondContact O-CB 3.44Å; I1559-V1563 VanDerWaalsContact O-CG2 3.25Å; I1559-V1563 WeakPolarHBondContact O-CG2 3.18Å; I1559-V1563 PolarHBondContact O-N 3.3Å; V1560-V1563 PolarHBondContact O-N 2.88Å; V1563-C1565 VanDerWaalsContact C-N 3.31Å; V1563-C1565 PolarHBondContact O-N 3.47Å; V1563-S1566 WeakPolarHBondContact O-CB 3.02Å; V1563-S1566 PolarHBondContact O-N 3.46Å; V1563-S1566 VanDerWaalsContact O-N 3.07Å; V1563-I1567 HydrophobicContact CG1-CD1 3.51Å; V1563-I1567 HydrophobicContact CG1-CG1 4.18Å; V1563-I1567 VanDerWaalsContact O-CG1 3.26Å; V1563-I1567 WeakPolarHBondContact O-CG1 3.08Å; V1563-I1567 PolarHBondContact O-N 3.25Å |
| 1564 | L | 90.7 | Very high | 79.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -39.7 | 177.3 | -72.4 | 171.5 | 0 | 0 | 0 | 111.7 | L1545 L1548 V1560 V1561 S1566 I1567 F1568 W1586 C1589 A1590 A1593 L1611 | L1545-L1564 HydrophobicContact CD2-CD2 4.31Å; L1548-L1564 HydrophobicContact CD1-CD2 4.36Å; V1560-L1564 HydrophobicContact CG1-CD1 3.94Å; V1560-L1564 HydrophobicContact CG1-CG 4.22Å; V1560-L1564 WeakPolarHBondContact O-CB 3.47Å; V1560-L1564 VanDerWaalsContact O-CG 3.24Å; V1560-L1564 WeakPolarHBondContact O-CG 3.45Å; V1560-L1564 PolarHBondContact O-N 2.98Å; V1561-L1564 PolarHBondContact O-N 2.78Å; L1564-S1566 VanDerWaalsContact C-N 3.3Å; L1564-S1566 PolarHBondContact O-N 3.2Å; L1564-I1567 PolarHBondContact O-N 3.39Å; L1564-F1568 PolarHBondContact O-N 3.41Å; L1564-W1586 HydrophobicContact CB-CZ2 4.39Å; L1564-W1586 HydrophobicContact CD2-CG 4.26Å; L1564-W1586 PolarHBondContact O-NE1 3.37Å; L1564-C1589 HydrophobicContact CD1-CB 4.49Å; L1564-C1589 HydrophobicContact CD2-CB 4.16Å; L1564-A1590 HydrophobicContact CD1-CB 4.13Å; L1564-A1593 HydrophobicContact CD1-CB 4.08Å; L1564-L1611 HydrophobicContact CB-CD1 3.93Å; L1564-L1611 HydrophobicContact CD1-CD2 4.34Å |
| 1565 | C | 89.1 | Confident | 78.4 | Confident | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -39 | 173.6 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | V1561 E1562 V1563 M1614 | V1561-C1565 PolarHBondContact O-N 3.26Å; V1561-C1565 PolarHBondContact O-SG 2.93Å; E1562-C1565 WeakPolarHBondContact O-CB 3.49Å; E1562-C1565 PolarHBondContact O-N 2.85Å; V1563-C1565 VanDerWaalsContact C-N 3.31Å; V1563-C1565 PolarHBondContact O-N 3.47Å; C1565-M1614 HydrophobicContact CB-CE 4.13Å; C1565-M1614 HydrophobicContact CB-SD 4.2Å; C1565-M1614 VanDerWaalsContact O-CE 3.26Å; C1565-M1614 WeakPolarHBondContact O-CE 3.22Å |
| 1566 | S | 86.1 | Confident | 77.2 | Confident | 26 Ų | 26 | 57.9 Ų | 57.9 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.5 | -42 | 177.5 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | S1529 E1562 V1563 L1564 F1568 | S1529-S1566 VanDerWaalsContact OG-CB 3.23Å; S1529-S1566 WeakPolarHBondContact OG-CB 3.32Å; E1562-S1566 PolarHBondContact O-N 3.14Å; E1562-S1566 PolarHBondContact O-OG 3.25Å; V1563-S1566 WeakPolarHBondContact O-CB 3.02Å; V1563-S1566 PolarHBondContact O-N 3.46Å; V1563-S1566 VanDerWaalsContact O-N 3.07Å; L1564-S1566 VanDerWaalsContact C-N 3.3Å; L1564-S1566 PolarHBondContact O-N 3.2Å; S1566-F1568 PolarHBondContact O-N 2.73Å |
| 1567 | I | 87.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.2 | -35.7 | 178.7 | -68.1 | 171.3 | 0 | 0 | 0 | 112.1 | V1535 W1544 L1548 V1563 L1564 R1569 F1570 I1571 | V1535-I1567 HydrophobicContact CG1-CB 4.37Å; V1535-I1567 HydrophobicContact CG1-CG1 4.06Å; V1535-I1567 HydrophobicContact CG1-CG2 3.98Å; V1535-I1567 HydrophobicContact CG2-CG1 4.34Å; W1544-I1567 HydrophobicContact CE3-CD1 3.87Å; W1544-I1567 HydrophobicContact CH2-CD1 3.83Å; W1544-I1567 HydrophobicContact CH2-CG1 4.21Å; W1544-I1567 HydrophobicContact CZ2-CD1 4.48Å; W1544-I1567 HydrophobicContact CZ3-CD1 3.47Å; W1544-I1567 VanDerWaalsContact CZ3-CD1 3.47Å; W1544-I1567 HydrophobicContact CZ3-CG1 3.83Å; L1548-I1567 HydrophobicContact CD1-CD1 3.93Å; V1563-I1567 HydrophobicContact CG1-CD1 3.51Å; V1563-I1567 HydrophobicContact CG1-CG1 4.18Å; V1563-I1567 VanDerWaalsContact O-CG1 3.26Å; V1563-I1567 WeakPolarHBondContact O-CG1 3.08Å; V1563-I1567 PolarHBondContact O-N 3.25Å; L1564-I1567 PolarHBondContact O-N 3.39Å; I1567-R1569 VanDerWaalsContact C-N 3.26Å; I1567-R1569 PolarHBondContact O-N 3.41Å; I1567-F1570 WeakPolarHBondContact O-CA 2.93Å; I1567-F1570 WeakPolarHBondContact O-CB 3.41Å; I1567-F1570 PolarHBondContact O-N 3.23Å; I1567-I1571 HydrophobicContact CG2-CD1 3.31Å; I1567-I1571 HydrophobicContact CG2-CG1 3.64Å; I1567-I1571 PolarHBondContact O-N 3.26Å |
| 1568 | F | 85.6 | Confident | 74.1 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -52.7 | -43.3 | -178.8 | 175.4 | -87.8 | 0 | 0 | 0 | 112.6 | L1564 S1566 F1570 I1571 F1572 W1586 M1614 K1617 A1618 | L1564-F1568 PolarHBondContact O-N 3.41Å; S1566-F1568 PolarHBondContact O-N 2.73Å; F1568-F1570 PolarHBondContact O-N 2.72Å; F1568-F1570 VanDerWaalsContact O-N 3.1Å; F1568-I1571 PolarHBondContact O-N 3.22Å; F1568-F1572 HydrophobicContact CB-CD2 4.39Å; F1568-F1572 HydrophobicContact CD1-CD2 4.43Å; F1568-F1572 AromaticContact CD2-CD2 3.19Å; F1568-F1572 HydrophobicContact CD2-CD2 3.19Å; F1568-F1572 AromaticContact CD2-CE2 3.48Å; F1568-F1572 HydrophobicContact CD2-CE2 3.48Å; F1568-F1572 VanDerWaalsContact CD2-CE2 3.48Å; F1568-F1572 HydrophobicContact CD2-CG 4.03Å; F1568-F1572 HydrophobicContact CD2-CZ 4.49Å; F1568-F1572 HydrophobicContact CE1-CB 4.31Å; F1568-F1572 HydrophobicContact CE2-CB 4.25Å; F1568-F1572 HydrophobicContact CE2-CD1 4.44Å; F1568-F1572 AromaticContact CE2-CD2 3.4Å; F1568-F1572 HydrophobicContact CE2-CD2 3.4Å; F1568-F1572 AromaticContact CE2-CE2 3.76Å; F1568-F1572 HydrophobicContact CE2-CE2 3.76Å; F1568-F1572 AromaticContact CE2-CG 3.78Å; F1568-F1572 HydrophobicContact CE2-CG 3.78Å; F1568-F1572 HydrophobicContact CE2-CZ 4.43Å; F1568-F1572 AromaticContact CG-CD2 3.77Å; F1568-F1572 HydrophobicContact CG-CD2 3.77Å; F1568-F1572 HydrophobicContact CG-CE2 4.37Å; F1568-F1572 HydrophobicContact CZ-CB 4.12Å; F1568-F1572 HydrophobicContact CZ-CD2 4.12Å; F1568-F1572 HydrophobicContact CZ-CG 4.14Å; F1568-F1572 WeakPolarHBondContact O-CB 3.37Å; F1568-F1572 WeakPolarHBondContact O-CD2 3.38Å; F1568-F1572 PolarHBondContact O-N 2.93Å; F1568-W1586 HydrophobicContact CB-CZ2 3.8Å; F1568-W1586 AromaticContact CD2-CH2 3.63Å; F1568-W1586 HydrophobicContact CD2-CH2 3.63Å; F1568-W1586 AromaticContact CD2-CZ2 3.71Å; F1568-W1586 HydrophobicContact CD2-CZ2 3.71Å; F1568-W1586 HydrophobicContact CD2-CZ3 4.09Å; F1568-W1586 HydrophobicContact CE2-CH2 4.34Å; F1568-W1586 HydrophobicContact CG-CZ2 4.21Å; F1568-M1614 HydrophobicContact CB-CE 3.14Å; F1568-M1614 HydrophobicContact CD1-CE 3.35Å; F1568-M1614 HydrophobicContact CD1-CG 4.42Å; F1568-M1614 HydrophobicContact CD2-CB 3.95Å; F1568-M1614 HydrophobicContact CD2-CE 4.04Å; F1568-M1614 HydrophobicContact CE1-CE 4.23Å; F1568-M1614 HydrophobicContact CE1-CG 4.47Å; F1568-M1614 HydrophobicContact CE2-CB 4.02Å; F1568-M1614 VanDerWaalsContact CE2-O 3.24Å; F1568-M1614 WeakPolarHBondContact CE2-O 3.19Å; F1568-M1614 HydrophobicContact CG-CB 4.24Å; F1568-M1614 HydrophobicContact CG-CE 3.23Å; F1568-M1614 HydrophobicContact CZ-CB 4.36Å; F1568-K1617 HydrophobicContact CZ-CB 4.3Å; F1568-A1618 HydrophobicContact CE2-CB 4.19Å |
| 1569 | R | 77.8 | Confident | 72.8 | Confident | 154 Ų | 154 | 63.3 Ų | 63.3 | 58% | 0.581 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.8 | -24.9 | 179.3 | -69.4 | -178.8 | 179.9 | 156.6 | -5.2 | 112.5 | I1567 R1573 | I1567-R1569 VanDerWaalsContact C-N 3.26Å; I1567-R1569 PolarHBondContact O-N 3.41Å; R1569-R1573 VanDerWaalsContact O-CB 3.24Å; R1569-R1573 WeakPolarHBondContact O-CB 3.35Å; R1569-R1573 VanDerWaalsContact O-CD 3.24Å; R1569-R1573 WeakPolarHBondContact O-CD 3.47Å; R1569-R1573 WeakPolarHBondContact O-CG 3.38Å |
| 1570 | F | 75.9 | Confident | 71.8 | Confident | 61 Ų | 61 | 66 Ų | 66 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -89.1 | -48.4 | 178.3 | 179.2 | -92.9 | 0 | 0 | 0 | 111.8 | P1532 V1535 N1536 I1567 F1568 F1572 R1573 | P1532-F1570 HydrophobicContact CB-CD2 4.39Å; V1535-F1570 HydrophobicContact CB-CD1 4.21Å; V1535-F1570 HydrophobicContact CB-CG 4.25Å; V1535-F1570 HydrophobicContact CG1-CB 4Å; V1535-F1570 HydrophobicContact CG1-CD1 3.51Å; V1535-F1570 HydrophobicContact CG1-CE1 4.25Å; V1535-F1570 HydrophobicContact CG1-CG 3.85Å; N1536-F1570 HydrophobicContact CB-CE1 3.91Å; N1536-F1570 HydrophobicContact CB-CE2 4.11Å; N1536-F1570 HydrophobicContact CB-CZ 3.38Å; I1567-F1570 WeakPolarHBondContact O-CA 2.93Å; I1567-F1570 WeakPolarHBondContact O-CB 3.41Å; I1567-F1570 PolarHBondContact O-N 3.23Å; F1568-F1570 PolarHBondContact O-N 2.72Å; F1568-F1570 VanDerWaalsContact O-N 3.1Å; F1570-F1572 VanDerWaalsContact C-N 3.31Å; F1570-F1572 PolarHBondContact O-N 3.45Å; F1570-R1573 PolarHBondContact O-N 2.96Å |
| 1571 | I | 74.1 | Confident | 70.9 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.8 | -37.8 | -179.2 | -65.3 | -177.6 | 0 | 0 | 0 | 111.4 | I1567 F1568 L1582 A1583 W1586 | I1567-I1571 HydrophobicContact CG2-CD1 3.31Å; I1567-I1571 HydrophobicContact CG2-CG1 3.64Å; I1567-I1571 PolarHBondContact O-N 3.26Å; F1568-I1571 PolarHBondContact O-N 3.22Å; I1571-L1582 HydrophobicContact CD1-CB 4.24Å; I1571-A1583 HydrophobicContact CG2-CB 4.09Å; I1571-W1586 HydrophobicContact CD1-CB 3.75Å; I1571-W1586 HydrophobicContact CD1-CG 3.97Å |
| 1572 | F | 73 | Confident | 70.4 | Confident | 35 Ų | 35 | 74 Ų | 74 | 15% | 0.154 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 18.6 | -175.6 | -60 | -87.3 | 0 | 0 | 0 | 113.2 | F1568 F1570 A1583 W1586 A1618 M1621 | F1568-F1572 HydrophobicContact CB-CD2 4.39Å; F1568-F1572 HydrophobicContact CD1-CD2 4.43Å; F1568-F1572 AromaticContact CD2-CD2 3.19Å; F1568-F1572 HydrophobicContact CD2-CD2 3.19Å; F1568-F1572 AromaticContact CD2-CE2 3.48Å; F1568-F1572 HydrophobicContact CD2-CE2 3.48Å; F1568-F1572 VanDerWaalsContact CD2-CE2 3.48Å; F1568-F1572 HydrophobicContact CD2-CG 4.03Å; F1568-F1572 HydrophobicContact CD2-CZ 4.49Å; F1568-F1572 HydrophobicContact CE1-CB 4.31Å; F1568-F1572 HydrophobicContact CE2-CB 4.25Å; F1568-F1572 HydrophobicContact CE2-CD1 4.44Å; F1568-F1572 AromaticContact CE2-CD2 3.4Å; F1568-F1572 HydrophobicContact CE2-CD2 3.4Å; F1568-F1572 AromaticContact CE2-CE2 3.76Å; F1568-F1572 HydrophobicContact CE2-CE2 3.76Å; F1568-F1572 AromaticContact CE2-CG 3.78Å; F1568-F1572 HydrophobicContact CE2-CG 3.78Å; F1568-F1572 HydrophobicContact CE2-CZ 4.43Å; F1568-F1572 AromaticContact CG-CD2 3.77Å; F1568-F1572 HydrophobicContact CG-CD2 3.77Å; F1568-F1572 HydrophobicContact CG-CE2 4.37Å; F1568-F1572 HydrophobicContact CZ-CB 4.12Å; F1568-F1572 HydrophobicContact CZ-CD2 4.12Å; F1568-F1572 HydrophobicContact CZ-CG 4.14Å; F1568-F1572 WeakPolarHBondContact O-CB 3.37Å; F1568-F1572 WeakPolarHBondContact O-CD2 3.38Å; F1568-F1572 PolarHBondContact O-N 2.93Å; F1570-F1572 VanDerWaalsContact C-N 3.31Å; F1570-F1572 PolarHBondContact O-N 3.45Å; F1572-A1583 HydrophobicContact CE1-CB 4.37Å; F1572-A1583 HydrophobicContact CZ-CB 4.26Å; F1572-W1586 AromaticContact CE2-CD2 3.95Å; F1572-W1586 HydrophobicContact CE2-CD2 3.95Å; F1572-W1586 AromaticContact CE2-CE3 3.75Å; F1572-W1586 HydrophobicContact CE2-CE3 3.75Å; F1572-W1586 HydrophobicContact CE2-CG 4.41Å; F1572-W1586 HydrophobicContact CE2-CZ3 4.21Å; F1572-W1586 HydrophobicContact CZ-CE3 4.04Å; F1572-A1618 HydrophobicContact CE1-CB 3.77Å; F1572-A1618 HydrophobicContact CE2-CB 4.21Å; F1572-A1618 HydrophobicContact CZ-CB 3.53Å; F1572-M1621 HydrophobicContact CD1-SD 3.92Å |
| 1573 | R | 64.5 | Low | 69.9 | Low | 160 Ų | 160 | 71.2 Ų | 71.2 | 60% | 0.604 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -71.3 | 141.6 | 173.2 | -122.5 | 170.1 | -174.5 | 164.1 | -0 | 109.5 | R1569 F1570 N1575 | R1569-R1573 VanDerWaalsContact O-CB 3.24Å; R1569-R1573 WeakPolarHBondContact O-CB 3.35Å; R1569-R1573 VanDerWaalsContact O-CD 3.24Å; R1569-R1573 WeakPolarHBondContact O-CD 3.47Å; R1569-R1573 WeakPolarHBondContact O-CG 3.38Å; F1570-R1573 PolarHBondContact O-N 2.96Å; R1573-N1575 PolarHBondContact O-N 3.49Å |
| 1574 | R | 46.3 | Very low | 69.2 | Low | 249 Ų | 249 | 75 Ų | 75 | 94% | 0.94 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -51 | 11.2 | -165.7 | -115.8 | -177.9 | 179.8 | 178.3 | -1.4 | 120 | ||
| 1575 | N | 42.7 | Very low | 68.7 | Low | 134 Ų | 134 | 76 Ų | 76 | 72% | 0.717 | 36% | 0.358 | S | S | * | . | trans | -87.8 | 126 | 173.6 | -78.4 | 1.8 | 0 | 0 | 0 | 110.3 | R1573 S1577 | R1573-N1575 PolarHBondContact O-N 3.49Å; N1575-S1577 PolarHBondContact O-N 2.88Å | ||
| 1576 | R | 44.1 | Very low | 68.5 | Low | 179 Ų | 179 | 75.6 Ų | 75.6 | 68% | 0.675 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -71.2 | -18.3 | -169.2 | -74.4 | -178.5 | 173.2 | 179.3 | -3.3 | 115 | L1578 | R1576-L1578 PolarHBondContact O-N 3.19Š|
| 1577 | S | 45.6 | Very low | 68.4 | Low | 72 Ų | 72 | 74.9 Ų | 74.9 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | trans | -74.5 | 69 | 169.5 | 34.3 | 0 | 0 | 0 | 0 | 112.6 | E531 N1575 C1579 | E531-S1577 VanDerWaalsContact CD-CB 3.44Å; E531-S1577 WeakPolarHBondContact OE1-CA 3.31Å; E531-S1577 WeakPolarHBondContact OE1-CB 3.43Å; E531-S1577 PolarHBondContact OE1-N 3.1Å; E531-S1577 PolarHBondContact OE1-OG 2.8Å; E531-S1577 WeakPolarHBondContact OE2-CB 3.31Å; E531-S1577 PolarHBondContact OE2-OG 3.2Å; N1575-S1577 PolarHBondContact O-N 2.88Å; S1577-C1579 PolarHBondContact O-N 3.42Å | ||
| 1578 | L | 49 | Very low | 68.1 | Low | 45 Ų | 45 | 77 Ų | 77 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | trans | -67.2 | 128.3 | 174 | -127.6 | 96.4 | 0 | 0 | 0 | 110.4 | R1576 W1580 A1583 | R1576-L1578 PolarHBondContact O-N 3.19Å; L1578-W1580 VanDerWaalsContact C-N 3.25Å; L1578-W1580 HydrophobicContact CB-CD2 4.33Å; L1578-W1580 HydrophobicContact CB-CZ2 4.42Å; L1578-W1580 HydrophobicContact CD2-CD2 4.05Å; L1578-W1580 HydrophobicContact CD2-CE3 3.74Å; L1578-W1580 HydrophobicContact CD2-CH2 4.09Å; L1578-W1580 HydrophobicContact CD2-CZ2 4.4Å; L1578-W1580 HydrophobicContact CD2-CZ3 3.76Å; L1578-W1580 PolarHBondContact O-N 3.26Å; L1578-A1583 HydrophobicContact CD2-CB 3.74Å | ||
| 1579 | C | 57.7 | Low | 68.1 | Low | 58 Ų | 58 | 75.8 Ų | 75.8 | 39% | 0.392 | 36% | 0.359 | S | S | . | . | trans | -77.2 | 81.5 | 161.6 | -69.7 | 0 | 0 | 0 | 0 | 108.2 | K1540 S1577 N1581 L1582 | K1540-C1579 WeakPolarHBondContact CE-SG 3.07Å; S1577-C1579 PolarHBondContact O-N 3.42Å; C1579-N1581 PolarHBondContact O-N 3.37Å; C1579-L1582 HydrophobicContact CB-CB 4.45Å; C1579-L1582 HydrophobicContact CB-CD1 3.8Å; C1579-L1582 HydrophobicContact CB-CG 3.93Å; C1579-L1582 WeakPolarHBondContact O-CA 3.15Å; C1579-L1582 VanDerWaalsContact O-CB 3.28Å; C1579-L1582 WeakPolarHBondContact O-CB 3.16Å; C1579-L1582 PolarHBondContact O-N 3.06Å | ||
| 1580 | W | 64 | Low | 68.5 | Low | 99 Ų | 99 | 68.4 Ų | 68.4 | 38% | 0.375 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -44.7 | -39.2 | -175.5 | -73.2 | 108.6 | 0 | 0 | 0 | 115 | L498 N499 L1578 L1582 A1583 V1584 | L498-W1580 WeakPolarHBondContact O-CZ2 3.46Å; N499-W1580 HydrophobicContact CB-CH2 4.39Å; N499-W1580 WeakPolarHBondContact OD1-CH2 3.33Å; N499-W1580 WeakPolarHBondContact OD1-CZ3 3.05Å; L1578-W1580 VanDerWaalsContact C-N 3.25Å; L1578-W1580 HydrophobicContact CB-CD2 4.33Å; L1578-W1580 HydrophobicContact CB-CZ2 4.42Å; L1578-W1580 HydrophobicContact CD2-CD2 4.05Å; L1578-W1580 HydrophobicContact CD2-CE3 3.74Å; L1578-W1580 HydrophobicContact CD2-CH2 4.09Å; L1578-W1580 HydrophobicContact CD2-CZ2 4.4Å; L1578-W1580 HydrophobicContact CD2-CZ3 3.76Å; L1578-W1580 PolarHBondContact O-N 3.26Å; W1580-L1582 PolarHBondContact O-N 3.32Å; W1580-L1582 VanDerWaalsContact O-N 3.15Å; W1580-A1583 PolarHBondContact O-N 2.88Å; W1580-V1584 PolarHBondContact O-N 2.51Å |
| 1581 | N | 68.6 | Low | 68.9 | Low | 145 Ų | 145 | 65.8 Ų | 65.8 | 78% | 0.775 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -54.8 | -33.6 | 175.4 | -66.2 | -17.4 | 0 | 0 | 0 | 112.8 | C1579 G1585 | C1579-N1581 PolarHBondContact O-N 3.37Å; N1581-G1585 PolarHBondContact O-N 3.23Å |
| 1582 | L | 77.6 | Confident | 69.2 | Low | 22 Ų | 22 | 66.8 Ų | 66.8 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -74.9 | -37.1 | 175.3 | -58.9 | -177.7 | 0 | 0 | 0 | 112.1 | C1539 K1540 L1545 I1571 C1579 W1580 W1586 | C1539-L1582 HydrophobicContact CB-CD1 4.05Å; C1539-L1582 HydrophobicContact CB-CD2 3.8Å; C1539-L1582 WeakPolarHBondContact O-CD2 3.46Å; K1540-L1582 HydrophobicContact CG-CD1 3.99Å; L1545-L1582 HydrophobicContact CD1-CB 4.26Å; L1545-L1582 HydrophobicContact CD1-CD2 4.04Å; L1545-L1582 VanDerWaalsContact CD1-O 3.26Å; L1545-L1582 WeakPolarHBondContact CD1-O 3.3Å; I1571-L1582 HydrophobicContact CD1-CB 4.24Å; C1579-L1582 HydrophobicContact CB-CB 4.45Å; C1579-L1582 HydrophobicContact CB-CD1 3.8Å; C1579-L1582 HydrophobicContact CB-CG 3.93Å; C1579-L1582 WeakPolarHBondContact O-CA 3.15Å; C1579-L1582 VanDerWaalsContact O-CB 3.28Å; C1579-L1582 WeakPolarHBondContact O-CB 3.16Å; C1579-L1582 PolarHBondContact O-N 3.06Å; W1580-L1582 PolarHBondContact O-N 3.32Å; W1580-L1582 VanDerWaalsContact O-N 3.15Å; L1582-W1586 WeakPolarHBondContact O-CB 2.95Å; L1582-W1586 PolarHBondContact O-N 3.29Å |
| 1583 | A | 77.4 | Confident | 69.8 | Low | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.033 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.4 | -46.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1571 F1572 L1578 W1580 W1586 I1587 | I1571-A1583 HydrophobicContact CG2-CB 4.09Å; F1572-A1583 HydrophobicContact CE1-CB 4.37Å; F1572-A1583 HydrophobicContact CZ-CB 4.26Å; L1578-A1583 HydrophobicContact CD2-CB 3.74Å; W1580-A1583 PolarHBondContact O-N 2.88Å; A1583-W1586 PolarHBondContact O-N 3.24Å; A1583-I1587 VanDerWaalsContact O-CG1 3.3Å; A1583-I1587 WeakPolarHBondContact O-CG1 2.84Å; A1583-I1587 PolarHBondContact O-N 3.08Å |
| 1584 | V | 76.5 | Confident | 70.6 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 174.7 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | W1580 W1586 I1587 S1588 | W1580-V1584 PolarHBondContact O-N 2.51Å; V1584-W1586 VanDerWaalsContact C-N 3.28Å; V1584-W1586 PolarHBondContact O-N 3.2Å; V1584-I1587 PolarHBondContact O-N 2.93Å; V1584-S1588 WeakPolarHBondContact O-CB 3.09Å; V1584-S1588 PolarHBondContact O-N 2.89Å |
| 1585 | G | 79 | Confident | 72 | Confident | 23 Ų | 23 | 47.9 Ų | 47.9 | 24% | 0.237 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1581 C1589 | N1581-G1585 PolarHBondContact O-N 3.23Å; G1585-C1589 WeakPolarHBondContact O-CB 3.2Å; G1585-C1589 PolarHBondContact O-N 3.47Å |
| 1586 | W | 86.6 | Confident | 73.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.1 | -44.2 | 176.6 | -175.5 | 95.2 | 0 | 0 | 0 | 111.8 | L1545 L1564 F1568 I1571 F1572 L1582 A1583 V1584 C1589 A1590 L1611 M1614 L1615 A1618 | L1545-W1586 HydrophobicContact CD1-CB 4.48Å; L1545-W1586 HydrophobicContact CD2-CB 4.29Å; L1564-W1586 HydrophobicContact CB-CZ2 4.39Å; L1564-W1586 HydrophobicContact CD2-CG 4.26Å; L1564-W1586 PolarHBondContact O-NE1 3.37Å; F1568-W1586 HydrophobicContact CB-CZ2 3.8Å; F1568-W1586 AromaticContact CD2-CH2 3.63Å; F1568-W1586 HydrophobicContact CD2-CH2 3.63Å; F1568-W1586 AromaticContact CD2-CZ2 3.71Å; F1568-W1586 HydrophobicContact CD2-CZ2 3.71Å; F1568-W1586 HydrophobicContact CD2-CZ3 4.09Å; F1568-W1586 HydrophobicContact CE2-CH2 4.34Å; F1568-W1586 HydrophobicContact CG-CZ2 4.21Å; I1571-W1586 HydrophobicContact CD1-CB 3.75Å; I1571-W1586 HydrophobicContact CD1-CG 3.97Å; F1572-W1586 AromaticContact CE2-CD2 3.95Å; F1572-W1586 HydrophobicContact CE2-CD2 3.95Å; F1572-W1586 AromaticContact CE2-CE3 3.75Å; F1572-W1586 HydrophobicContact CE2-CE3 3.75Å; F1572-W1586 HydrophobicContact CE2-CG 4.41Å; F1572-W1586 HydrophobicContact CE2-CZ3 4.21Å; F1572-W1586 HydrophobicContact CZ-CE3 4.04Å; L1582-W1586 WeakPolarHBondContact O-CB 2.95Å; L1582-W1586 PolarHBondContact O-N 3.29Å; A1583-W1586 PolarHBondContact O-N 3.24Å; V1584-W1586 VanDerWaalsContact C-N 3.28Å; V1584-W1586 PolarHBondContact O-N 3.2Å; W1586-C1589 PolarHBondContact O-N 2.89Å; W1586-A1590 HydrophobicContact CE3-CB 4.3Å; W1586-A1590 HydrophobicContact CH2-CB 4.18Å; W1586-A1590 HydrophobicContact CZ2-CB 4.45Å; W1586-A1590 HydrophobicContact CZ3-CB 4.11Å; W1586-A1590 WeakPolarHBondContact O-CB 3.44Å; W1586-A1590 PolarHBondContact O-N 3.47Å; W1586-L1611 HydrophobicContact CH2-CD1 3.9Å; W1586-L1611 HydrophobicContact CZ2-CD1 3.66Å; W1586-M1614 HydrophobicContact CH2-CB 4.16Å; W1586-L1615 HydrophobicContact CZ3-CD1 4.11Å; W1586-A1618 HydrophobicContact CE3-CB 4.42Å; W1586-A1618 HydrophobicContact CZ3-CB 3.89Å |
| 1587 | I | 82.8 | Confident | 75.2 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 176.7 | -69.4 | 167 | 0 | 0 | 0 | 109.9 | A1583 V1584 C1589 A1590 C1591 L1615 A1618 Y1619 | A1583-I1587 VanDerWaalsContact O-CG1 3.3Å; A1583-I1587 WeakPolarHBondContact O-CG1 2.84Å; A1583-I1587 PolarHBondContact O-N 3.08Å; V1584-I1587 PolarHBondContact O-N 2.93Å; I1587-C1589 PolarHBondContact O-N 3.26Å; I1587-A1590 PolarHBondContact O-N 3.47Å; I1587-C1591 WeakPolarHBondContact O-CB 3.42Å; I1587-C1591 PolarHBondContact O-N 2.88Å; I1587-C1591 PolarHBondContact O-SG 3.46Å; I1587-L1615 HydrophobicContact CG2-CD1 4.08Å; I1587-A1618 HydrophobicContact CD1-CB 4.44Å; I1587-A1618 HydrophobicContact CG1-CB 4.22Å; I1587-Y1619 HydrophobicContact CG2-CE1 3.98Å; I1587-Y1619 HydrophobicContact CG2-CE2 4.19Å; I1587-Y1619 WeakPolarHBondContact CG2-OH 3.29Å |
| 1588 | S | 81.6 | Confident | 76.7 | Confident | 44 Ų | 44 | 42.3 Ų | 42.3 | 31% | 0.308 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.1 | -47.6 | 177.4 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | V1584 A1590 C1591 T1592 | V1584-S1588 WeakPolarHBondContact O-CB 3.09Å; V1584-S1588 PolarHBondContact O-N 2.89Å; S1588-A1590 PolarHBondContact O-N 3.24Å; S1588-C1591 PolarHBondContact O-N 2.97Å; S1588-T1592 PolarHBondContact O-N 3.45Å; S1588-T1592 PolarHBondContact O-OG1 2.95Å; S1588-T1592 VanDerWaalsContact O-OG1 3.04Å |
| 1589 | C | 85.1 | Confident | 77.7 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 177.9 | -169.2 | 0 | 0 | 0 | 0 | 112.6 | L1564 G1585 W1586 I1587 A1593 | L1564-C1589 HydrophobicContact CD1-CB 4.49Å; L1564-C1589 HydrophobicContact CD2-CB 4.16Å; G1585-C1589 WeakPolarHBondContact O-CB 3.2Å; G1585-C1589 PolarHBondContact O-N 3.47Å; W1586-C1589 PolarHBondContact O-N 2.89Å; I1587-C1589 PolarHBondContact O-N 3.26Å; C1589-A1593 VanDerWaalsContact O-CB 3.22Å; C1589-A1593 WeakPolarHBondContact O-CB 2.89Å; C1589-A1593 PolarHBondContact O-N 3.03Å |
| 1590 | A | 86.8 | Confident | 78.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.5 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1564 W1586 I1587 S1588 A1593 L1594 L1611 L1615 | L1564-A1590 HydrophobicContact CD1-CB 4.13Å; W1586-A1590 HydrophobicContact CE3-CB 4.3Å; W1586-A1590 HydrophobicContact CH2-CB 4.18Å; W1586-A1590 HydrophobicContact CZ2-CB 4.45Å; W1586-A1590 HydrophobicContact CZ3-CB 4.11Å; W1586-A1590 WeakPolarHBondContact O-CB 3.44Å; W1586-A1590 PolarHBondContact O-N 3.47Å; I1587-A1590 PolarHBondContact O-N 3.47Å; S1588-A1590 PolarHBondContact O-N 3.24Å; A1590-A1593 PolarHBondContact O-N 3.4Å; A1590-L1594 WeakPolarHBondContact O-CG 2.84Å; A1590-L1594 PolarHBondContact O-N 2.91Å; A1590-L1611 HydrophobicContact CB-CD1 4.14Å; A1590-L1611 HydrophobicContact CB-CD2 4.34Å; A1590-L1611 HydrophobicContact CB-CG 4.44Å; A1590-L1615 HydrophobicContact CB-CD1 4.01Å |
| 1591 | C | 82.9 | Confident | 78.8 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.034 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 172.9 | -77.8 | 0 | 0 | 0 | 0 | 111.3 | I1587 S1588 A1593 L1594 S1595 Y1619 I1634 | I1587-C1591 WeakPolarHBondContact O-CB 3.42Å; I1587-C1591 PolarHBondContact O-N 2.88Å; I1587-C1591 PolarHBondContact O-SG 3.46Å; S1588-C1591 PolarHBondContact O-N 2.97Å; C1591-A1593 PolarHBondContact O-N 2.75Å; C1591-L1594 PolarHBondContact O-N 3.49Å; C1591-S1595 WeakPolarHBondContact O-CB 3.45Å; C1591-S1595 PolarHBondContact O-N 2.79Å; C1591-S1595 PolarHBondContact O-OG 2.74Å; C1591-Y1619 PolarHBondContact SG-OH 3.02Å; C1591-I1634 HydrophobicContact CB-CD1 4.35Å |
| 1592 | T | 82.1 | Confident | 78.8 | Confident | 38 Ų | 38 | 43.5 Ų | 43.5 | 23% | 0.233 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -39 | 178 | -52.8 | 0 | 0 | 0 | 0 | 112.2 | L1549 C1552 S1588 S1595 E1596 | L1549-T1592 HydrophobicContact CD1-CG2 3.84Å; L1549-T1592 WeakPolarHBondContact CD1-OG1 3.4Å; C1552-T1592 HydrophobicContact CB-CG2 3.84Å; S1588-T1592 PolarHBondContact O-N 3.45Å; S1588-T1592 PolarHBondContact O-OG1 2.95Å; S1588-T1592 VanDerWaalsContact O-OG1 3.04Å; T1592-S1595 VanDerWaalsContact CA-OG 3.3Å; T1592-S1595 WeakPolarHBondContact CA-OG 3.08Å; T1592-S1595 PolarHBondContact O-N 3.31Å; T1592-S1595 PolarHBondContact O-OG 3Å; T1592-E1596 HydrophobicContact CG2-CG 4.31Å; T1592-E1596 WeakPolarHBondContact O-CB 2.82Å; T1592-E1596 WeakPolarHBondContact O-CG 3.29Å; T1592-E1596 PolarHBondContact O-N 3.41Å |
| 1593 | A | 83.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1557 V1560 V1561 L1564 C1589 A1590 C1591 E1596 A1597 | V1557-A1593 HydrophobicContact CG1-CB 4.3Å; V1557-A1593 VanDerWaalsContact CG1-O 3.26Å; V1557-A1593 WeakPolarHBondContact CG1-O 3.27Å; V1560-A1593 HydrophobicContact CG1-CB 4.44Å; V1561-A1593 HydrophobicContact CG2-CB 4.12Å; L1564-A1593 HydrophobicContact CD1-CB 4.08Å; C1589-A1593 VanDerWaalsContact O-CB 3.22Å; C1589-A1593 WeakPolarHBondContact O-CB 2.89Å; C1589-A1593 PolarHBondContact O-N 3.03Å; A1590-A1593 PolarHBondContact O-N 3.4Å; C1591-A1593 PolarHBondContact O-N 2.75Å; A1593-E1596 PolarHBondContact O-N 3.28Å; A1593-A1597 WeakPolarHBondContact O-CB 3.11Å; A1593-A1597 PolarHBondContact O-N 3.2Å |
| 1594 | L | 82 | Confident | 78.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 175.7 | -68.9 | 170.5 | 0 | 0 | 0 | 111.9 | A1590 C1591 E1596 A1608 L1611 L1615 I1634 K1637 | A1590-L1594 WeakPolarHBondContact O-CG 2.84Å; A1590-L1594 PolarHBondContact O-N 2.91Å; C1591-L1594 PolarHBondContact O-N 3.49Å; L1594-E1596 VanDerWaalsContact C-N 3.33Å; L1594-E1596 PolarHBondContact O-N 3.36Å; L1594-A1608 HydrophobicContact CD2-CB 4.19Å; L1594-L1611 HydrophobicContact CD1-CD2 4.31Å; L1594-L1611 HydrophobicContact CD1-CG 4.37Å; L1594-L1611 HydrophobicContact CD2-CD2 4.04Å; L1594-L1611 HydrophobicContact CG-CD2 3.91Å; L1594-L1611 HydrophobicContact CG-CG 4.46Å; L1594-L1615 HydrophobicContact CD1-CD2 3.69Å; L1594-I1634 HydrophobicContact CB-CD1 4.34Å; L1594-I1634 HydrophobicContact CB-CG1 4.29Å; L1594-I1634 HydrophobicContact CD1-CD1 4.16Å; L1594-I1634 HydrophobicContact CD1-CG2 4.4Å; L1594-K1637 WeakPolarHBondContact O-CD 3.32Å; L1594-K1637 PolarHBondContact O-NZ 2.9Å; L1594-K1637 VanDerWaalsContact O-NZ 3.1Å |
| 1595 | S | 76.8 | Confident | 78.6 | Confident | 47 Ų | 47 | 45 Ų | 45 | 33% | 0.329 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -71 | -22.8 | 178.8 | 74.8 | 0 | 0 | 0 | 0 | 113.9 | C1591 T1592 K1637 | C1591-S1595 WeakPolarHBondContact O-CB 3.45Å; C1591-S1595 PolarHBondContact O-N 2.79Å; C1591-S1595 PolarHBondContact O-OG 2.74Å; T1592-S1595 VanDerWaalsContact CA-OG 3.3Å; T1592-S1595 WeakPolarHBondContact CA-OG 3.08Å; T1592-S1595 PolarHBondContact O-N 3.31Å; T1592-S1595 PolarHBondContact O-OG 3Å; S1595-K1637 WeakPolarHBondContact O-CE 3.4Å; S1595-K1637 PolarHBondContact O-NZ 3.36Å |
| 1596 | E | 77.9 | Confident | 78.5 | Confident | 98 Ų | 98 | 47.6 Ų | 47.6 | 46% | 0.458 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -101.8 | -23.3 | 176.9 | -66.7 | -62.4 | 154.5 | 0 | 0 | 113.3 | C1552 V1557 T1592 A1593 L1594 K1598 | C1552-E1596 WeakPolarHBondContact O-CB 3.17Å; C1552-E1596 WeakPolarHBondContact O-CG 3.19Å; V1557-E1596 HydrophobicContact CG2-CB 4.44Å; T1592-E1596 HydrophobicContact CG2-CG 4.31Å; T1592-E1596 WeakPolarHBondContact O-CB 2.82Å; T1592-E1596 WeakPolarHBondContact O-CG 3.29Å; T1592-E1596 PolarHBondContact O-N 3.41Å; A1593-E1596 PolarHBondContact O-N 3.28Å; L1594-E1596 VanDerWaalsContact C-N 3.33Å; L1594-E1596 PolarHBondContact O-N 3.36Å; E1596-K1598 PolarHBondContact O-N 3.02Å |
| 1597 | A | 75.2 | Confident | 78.2 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | trans | -59.1 | 130.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1557 W1558 A1593 K1637 | V1557-A1597 HydrophobicContact CG1-CB 3.66Å; W1558-A1597 HydrophobicContact CH2-CB 3.89Å; W1558-A1597 HydrophobicContact CZ2-CB 3.71Å; W1558-A1597 HydrophobicContact CZ3-CB 4.46Å; A1593-A1597 WeakPolarHBondContact O-CB 3.11Å; A1593-A1597 PolarHBondContact O-N 3.2Å; A1597-K1637 PolarHBondContact O-NZ 3.43Å | ||
| 1598 | K | 76.1 | Confident | 78.1 | Confident | 165 Ų | 165 | 48.8 Ų | 48.8 | 72% | 0.717 | 24% | 0.243 | S | C | * | . | trans | -107.7 | 119.6 | 166.9 | -67.4 | -176.6 | -179 | -180 | 0 | 109.2 | W1558 E1596 R1600 | W1558-K1598 WeakPolarHBondContact CZ2-O 3.38Å; W1558-K1598 PolarHBondContact NE1-O 3.47Å; E1596-K1598 PolarHBondContact O-N 3.02Å; K1598-R1600 PolarHBondContact O-N 3.39Å | ||
| 1599 | I | 70 | Confident | 78 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 21% | 0.21 | 23% | 0.229 | C | C | . | . | trans | -73.1 | 123.4 | -177.1 | -49.6 | 150.9 | 0 | 0 | 0 | 108.7 | W1558 D1604 A1605 L1640 Y1641 A1644 | W1558-I1599 HydrophobicContact CH2-CG1 4.06Å; W1558-I1599 HydrophobicContact CZ2-CB 4.26Å; W1558-I1599 HydrophobicContact CZ2-CG1 4.01Å; I1599-D1604 HydrophobicContact CG2-CB 4.06Å; I1599-A1605 HydrophobicContact CG2-CB 4Å; I1599-L1640 VanDerWaalsContact CD1-C 3.44Å; I1599-L1640 HydrophobicContact CD1-CB 3.72Å; I1599-L1640 WeakPolarHBondContact CD1-O 3.25Å; I1599-Y1641 HydrophobicContact CD1-CD1 3.11Å; I1599-Y1641 HydrophobicContact CD1-CE1 3.45Å; I1599-Y1641 VanDerWaalsContact CD1-CE1 3.45Å; I1599-Y1641 HydrophobicContact CD1-CG 4.05Å; I1599-Y1641 HydrophobicContact CG1-CD1 3.65Å; I1599-Y1641 HydrophobicContact CG1-CE1 3.58Å; I1599-A1644 HydrophobicContact CG2-CB 3.64Å | ||
| 1600 | R | 73.2 | Confident | 77.8 | Confident | 192 Ų | 192 | 51.8 Ų | 51.8 | 73% | 0.725 | 25% | 0.248 | S | C | * | . | trans | -116.5 | -24.5 | 176.7 | -64.7 | -178.5 | 179.9 | 178 | 0.5 | 112.5 | K1598 D1604 | K1598-R1600 PolarHBondContact O-N 3.39Å; R1600-D1604 PolarHBondContact N-OD2 2.92Å | ||
| 1601 | S | 72.8 | Confident | 77.7 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 33% | 0.329 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -131.2 | 164.5 | -177.8 | 77 | 0 | 0 | 0 | 0 | 113.3 | N1603 D1604 A1605 | S1601-N1603 VanDerWaalsContact C-N 3.29Å; S1601-N1603 PolarHBondContact O-N 3.43Å; S1601-N1603 PolarHBondContact OG-N 3.33Å; S1601-D1604 PolarHBondContact N-OD2 2.96Å; S1601-D1604 WeakPolarHBondContact O-CB 3.39Å; S1601-D1604 PolarHBondContact O-N 3.34Å; S1601-D1604 PolarHBondContact OG-N 2.74Å; S1601-D1604 VanDerWaalsContact OG-N 3.1Å; S1601-D1604 PolarHBondContact OG-OD1 3.25Å; S1601-D1604 PolarHBondContact OG-OD2 2.72Å; S1601-A1605 PolarHBondContact O-N 3.19Å |
| 1602 | E | 68.8 | Low | 77.5 | Confident | 92 Ų | 92 | 51.7 Ų | 51.7 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.7 | -34.7 | 172.4 | -70.6 | -172.9 | -179.2 | 0 | 0 | 112.1 | D1604 A1605 E1606 K1646 | E1602-D1604 VanDerWaalsContact C-N 3.35Å; E1602-D1604 PolarHBondContact O-N 3.05Å; E1602-A1605 WeakPolarHBondContact O-CB 3.39Å; E1602-A1605 PolarHBondContact O-N 3.19Å; E1602-E1606 PolarHBondContact O-N 3.25Å; E1602-K1646 WeakPolarHBondContact OE1-CB 3.32Å; E1602-K1646 VanDerWaalsContact OE1-CD 3.27Å; E1602-K1646 WeakPolarHBondContact OE1-CD 3.33Å; E1602-K1646 VanDerWaalsContact OE1-CG 3.31Å; E1602-K1646 WeakPolarHBondContact OE1-CG 3.31Å |
| 1603 | N | 73.9 | Confident | 77.2 | Confident | 114 Ų | 114 | 50.9 Ų | 50.9 | 61% | 0.61 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.5 | -37.9 | 176.6 | -67.7 | -17.3 | 0 | 0 | 0 | 111.9 | S1601 A1605 E1606 L1607 | S1601-N1603 VanDerWaalsContact C-N 3.29Å; S1601-N1603 PolarHBondContact O-N 3.43Å; S1601-N1603 PolarHBondContact OG-N 3.33Å; N1603-A1605 VanDerWaalsContact C-N 3.28Å; N1603-A1605 PolarHBondContact O-N 3.43Å; N1603-E1606 PolarHBondContact O-N 2.88Å; N1603-L1607 WeakPolarHBondContact O-CG 3.5Å; N1603-L1607 PolarHBondContact O-N 2.91Å |
| 1604 | D | 78 | Confident | 77.2 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 12% | 0.118 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 173.1 | -62.6 | -12.2 | 0 | 0 | 0 | 110 | W1558 I1599 R1600 S1601 E1602 L1607 A1608 | W1558-D1604 HydrophobicContact CD2-CB 3.73Å; W1558-D1604 HydrophobicContact CE3-CB 3.84Å; W1558-D1604 HydrophobicContact CG-CB 4.48Å; W1558-D1604 HydrophobicContact CH2-CB 3.73Å; W1558-D1604 WeakPolarHBondContact CH2-O 3.31Å; W1558-D1604 HydrophobicContact CZ2-CB 3.62Å; W1558-D1604 HydrophobicContact CZ3-CB 3.85Å; W1558-D1604 WeakPolarHBondContact CZ3-O 3.44Å; I1599-D1604 HydrophobicContact CG2-CB 4.06Å; R1600-D1604 PolarHBondContact N-OD2 2.92Å; S1601-D1604 PolarHBondContact N-OD2 2.96Å; S1601-D1604 WeakPolarHBondContact O-CB 3.39Å; S1601-D1604 PolarHBondContact O-N 3.34Å; S1601-D1604 PolarHBondContact OG-N 2.74Å; S1601-D1604 VanDerWaalsContact OG-N 3.1Å; S1601-D1604 PolarHBondContact OG-OD1 3.25Å; S1601-D1604 PolarHBondContact OG-OD2 2.72Å; E1602-D1604 VanDerWaalsContact C-N 3.35Å; E1602-D1604 PolarHBondContact O-N 3.05Å; D1604-L1607 PolarHBondContact O-N 2.96Å; D1604-A1608 WeakPolarHBondContact O-CB 3.45Å; D1604-A1608 PolarHBondContact O-N 3.31Å |
| 1605 | A | 73.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1599 S1601 E1602 N1603 A1608 V1609 A1644 T1645 | I1599-A1605 HydrophobicContact CG2-CB 4Å; S1601-A1605 PolarHBondContact O-N 3.19Å; E1602-A1605 WeakPolarHBondContact O-CB 3.39Å; E1602-A1605 PolarHBondContact O-N 3.19Å; N1603-A1605 VanDerWaalsContact C-N 3.28Å; N1603-A1605 PolarHBondContact O-N 3.43Å; A1605-A1608 PolarHBondContact O-N 2.79Å; A1605-V1609 WeakPolarHBondContact O-CB 3.05Å; A1605-V1609 WeakPolarHBondContact O-CG2 3.01Å; A1605-V1609 PolarHBondContact O-N 2.75Å; A1605-A1644 HydrophobicContact CB-CB 3.89Å; A1605-T1645 HydrophobicContact CB-CG2 3.59Å |
| 1606 | E | 76.9 | Confident | 77 | Confident | 77 Ų | 77 | 49.5 Ų | 49.5 | 36% | 0.36 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 173.3 | -177 | 173.8 | 174.5 | 0 | 0 | 112.3 | E1602 N1603 A1608 V1609 R1610 T1650 M1653 | E1602-E1606 PolarHBondContact O-N 3.25Å; N1603-E1606 PolarHBondContact O-N 2.88Å; E1606-A1608 PolarHBondContact O-N 2.61Å; E1606-V1609 PolarHBondContact O-N 2.6Å; E1606-R1610 WeakPolarHBondContact O-CB 3.31Å; E1606-R1610 PolarHBondContact O-N 2.65Å; E1606-T1650 HydrophobicContact CB-CG2 3.53Å; E1606-T1650 HydrophobicContact CG-CG2 3.59Å; E1606-M1653 HydrophobicContact CG-CE 4.12Å |
| 1607 | L | 81 | Confident | 76.7 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 178.6 | -75.3 | 174.3 | 0 | 0 | 0 | 111.9 | V1561 E1562 N1603 D1604 R1610 L1611 | V1561-L1607 HydrophobicContact CG1-CB 3.96Å; E1562-L1607 HydrophobicContact CG-CD2 4.33Å; N1603-L1607 WeakPolarHBondContact O-CG 3.5Å; N1603-L1607 PolarHBondContact O-N 2.91Å; D1604-L1607 PolarHBondContact O-N 2.96Å; L1607-R1610 PolarHBondContact O-N 3.37Å; L1607-L1611 WeakPolarHBondContact O-CB 3.46Å; L1607-L1611 PolarHBondContact O-N 3.35Å |
| 1608 | A | 81.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | W1558 L1594 D1604 A1605 E1606 R1610 L1611 T1612 Y1641 | W1558-A1608 HydrophobicContact CH2-CB 3.88Å; W1558-A1608 HydrophobicContact CZ3-CB 3.8Å; L1594-A1608 HydrophobicContact CD2-CB 4.19Å; D1604-A1608 WeakPolarHBondContact O-CB 3.45Å; D1604-A1608 PolarHBondContact O-N 3.31Å; A1605-A1608 PolarHBondContact O-N 2.79Å; E1606-A1608 PolarHBondContact O-N 2.61Å; A1608-R1610 VanDerWaalsContact C-N 3.32Å; A1608-R1610 PolarHBondContact O-N 3.44Å; A1608-L1611 PolarHBondContact O-N 3.44Å; A1608-T1612 VanDerWaalsContact O-CB 3.23Å; A1608-T1612 WeakPolarHBondContact O-CB 3.05Å; A1608-T1612 PolarHBondContact O-N 3.27Å; A1608-T1612 PolarHBondContact O-OG1 2.6Å; A1608-Y1641 HydrophobicContact CB-CD1 3.67Å; A1608-Y1641 HydrophobicContact CB-CE1 3.34Å; A1608-Y1641 HydrophobicContact CB-CG 4.47Å |
| 1609 | V | 78.3 | Confident | 76.1 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.7 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | A1605 E1606 T1612 S1613 M1653 L1654 | A1605-V1609 WeakPolarHBondContact O-CB 3.05Å; A1605-V1609 WeakPolarHBondContact O-CG2 3.01Å; A1605-V1609 PolarHBondContact O-N 2.75Å; E1606-V1609 PolarHBondContact O-N 2.6Å; V1609-T1612 PolarHBondContact O-N 2.71Å; V1609-S1613 PolarHBondContact O-N 3.33Å; V1609-M1653 HydrophobicContact CG1-CB 3.55Å; V1609-L1654 HydrophobicContact CG1-CB 4.05Å; V1609-L1654 HydrophobicContact CG2-CB 3.95Å; V1609-L1654 HydrophobicContact CG2-CD1 3.7Å; V1609-L1654 HydrophobicContact CG2-CG 3.83Å |
| 1610 | R | 81.1 | Confident | 75.6 | Confident | 105 Ų | 105 | 43.4 Ų | 43.4 | 40% | 0.396 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.7 | -49.3 | 177.3 | -173 | 177.3 | -175.3 | 165.6 | 6.4 | 111.6 | E1606 L1607 A1608 T1612 S1613 M1614 | E1606-R1610 WeakPolarHBondContact O-CB 3.31Å; E1606-R1610 PolarHBondContact O-N 2.65Å; L1607-R1610 PolarHBondContact O-N 3.37Å; A1608-R1610 VanDerWaalsContact C-N 3.32Å; A1608-R1610 PolarHBondContact O-N 3.44Å; R1610-T1612 VanDerWaalsContact C-N 3.29Å; R1610-T1612 PolarHBondContact O-N 2.56Å; R1610-S1613 PolarHBondContact O-N 2.73Å; R1610-M1614 HydrophobicContact CG-SD 3.77Å; R1610-M1614 WeakPolarHBondContact O-CB 3.47Å; R1610-M1614 WeakPolarHBondContact O-CG 3.41Å; R1610-M1614 PolarHBondContact O-N 2.66Å |
| 1611 | L | 85 | Confident | 74.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 176.1 | -177.6 | 64.1 | 0 | 0 | 0 | 110.7 | V1561 L1564 W1586 A1590 L1594 L1607 A1608 M1614 L1615 | V1561-L1611 HydrophobicContact CB-CD2 4.12Å; V1561-L1611 HydrophobicContact CG1-CB 3.92Å; V1561-L1611 HydrophobicContact CG1-CD2 3.76Å; V1561-L1611 HydrophobicContact CG1-CG 4.42Å; V1561-L1611 HydrophobicContact CG2-CD2 3.87Å; L1564-L1611 HydrophobicContact CB-CD1 3.93Å; L1564-L1611 HydrophobicContact CD1-CD2 4.34Å; W1586-L1611 HydrophobicContact CH2-CD1 3.9Å; W1586-L1611 HydrophobicContact CZ2-CD1 3.66Å; A1590-L1611 HydrophobicContact CB-CD1 4.14Å; A1590-L1611 HydrophobicContact CB-CD2 4.34Å; A1590-L1611 HydrophobicContact CB-CG 4.44Å; L1594-L1611 HydrophobicContact CD1-CD2 4.31Å; L1594-L1611 HydrophobicContact CD1-CG 4.37Å; L1594-L1611 HydrophobicContact CD2-CD2 4.04Å; L1594-L1611 HydrophobicContact CG-CD2 3.91Å; L1594-L1611 HydrophobicContact CG-CG 4.46Å; L1607-L1611 WeakPolarHBondContact O-CB 3.46Å; L1607-L1611 PolarHBondContact O-N 3.35Å; A1608-L1611 PolarHBondContact O-N 3.44Å; L1611-M1614 CarbonylContact O-C 3.44Å; L1611-M1614 PolarHBondContact O-N 3.03Å; L1611-M1614 VanDerWaalsContact O-N 3.17Å; L1611-L1615 VanDerWaalsContact O-CB 3.24Å; L1611-L1615 WeakPolarHBondContact O-CB 3.38Å; L1611-L1615 PolarHBondContact O-N 3.36Å |
| 1612 | T | 80.2 | Confident | 74 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 177.8 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | A1608 V1609 R1610 M1614 L1615 L1616 F1638 | A1608-T1612 VanDerWaalsContact O-CB 3.23Å; A1608-T1612 WeakPolarHBondContact O-CB 3.05Å; A1608-T1612 PolarHBondContact O-N 3.27Å; A1608-T1612 PolarHBondContact O-OG1 2.6Å; V1609-T1612 PolarHBondContact O-N 2.71Å; R1610-T1612 VanDerWaalsContact C-N 3.29Å; R1610-T1612 PolarHBondContact O-N 2.56Å; T1612-M1614 VanDerWaalsContact C-N 3.28Å; T1612-M1614 PolarHBondContact O-N 3.43Å; T1612-L1615 PolarHBondContact O-N 3.47Å; T1612-L1616 HydrophobicContact CG2-CD1 4.01Å; T1612-L1616 HydrophobicContact CG2-CG 4.41Å; T1612-L1616 WeakPolarHBondContact O-CB 3.41Å; T1612-L1616 WeakPolarHBondContact O-CG 3.25Å; T1612-L1616 PolarHBondContact O-N 3.18Å; T1612-F1638 HydrophobicContact CG2-CE1 4.42Å; T1612-F1638 HydrophobicContact CG2-CE2 3.87Å; T1612-F1638 HydrophobicContact CG2-CZ 3.45Å; T1612-F1638 VanDerWaalsContact CG2-CZ 3.45Å |
| 1613 | S | 75.6 | Confident | 72.8 | Confident | 21 Ų | 21 | 36.7 Ų | 36.7 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -35.9 | 172.7 | -176.1 | 0 | 0 | 0 | 0 | 112 | V1609 R1610 K1617 Q1660 | V1609-S1613 PolarHBondContact O-N 3.33Å; R1610-S1613 PolarHBondContact O-N 2.73Å; S1613-K1617 WeakPolarHBondContact O-CB 3.47Å; S1613-K1617 VanDerWaalsContact O-CG 3.24Å; S1613-K1617 WeakPolarHBondContact O-CG 3.34Å; S1613-K1617 PolarHBondContact O-N 2.94Å; S1613-Q1660 PolarHBondContact OG-OE1 3.09Å |
| 1614 | M | 83.7 | Confident | 71.1 | Confident | 17 Ų | 17 | 33 Ų | 33 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -73.4 | -38.5 | 177.5 | -68 | 164.6 | 68.2 | 0 | 0 | 112 | C1565 F1568 W1586 R1610 L1611 T1612 K1617 A1618 | C1565-M1614 HydrophobicContact CB-CE 4.13Å; C1565-M1614 HydrophobicContact CB-SD 4.2Å; C1565-M1614 VanDerWaalsContact O-CE 3.26Å; C1565-M1614 WeakPolarHBondContact O-CE 3.22Å; F1568-M1614 HydrophobicContact CB-CE 3.14Å; F1568-M1614 HydrophobicContact CD1-CE 3.35Å; F1568-M1614 HydrophobicContact CD1-CG 4.42Å; F1568-M1614 HydrophobicContact CD2-CB 3.95Å; F1568-M1614 HydrophobicContact CD2-CE 4.04Å; F1568-M1614 HydrophobicContact CE1-CE 4.23Å; F1568-M1614 HydrophobicContact CE1-CG 4.47Å; F1568-M1614 HydrophobicContact CE2-CB 4.02Å; F1568-M1614 VanDerWaalsContact CE2-O 3.24Å; F1568-M1614 WeakPolarHBondContact CE2-O 3.19Å; F1568-M1614 HydrophobicContact CG-CB 4.24Å; F1568-M1614 HydrophobicContact CG-CE 3.23Å; F1568-M1614 HydrophobicContact CZ-CB 4.36Å; W1586-M1614 HydrophobicContact CH2-CB 4.16Å; R1610-M1614 HydrophobicContact CG-SD 3.77Å; R1610-M1614 WeakPolarHBondContact O-CB 3.47Å; R1610-M1614 WeakPolarHBondContact O-CG 3.41Å; R1610-M1614 PolarHBondContact O-N 2.66Å; L1611-M1614 CarbonylContact O-C 3.44Å; L1611-M1614 PolarHBondContact O-N 3.03Å; L1611-M1614 VanDerWaalsContact O-N 3.17Å; T1612-M1614 VanDerWaalsContact C-N 3.28Å; T1612-M1614 PolarHBondContact O-N 3.43Å; M1614-K1617 PolarHBondContact O-N 3.42Å; M1614-A1618 WeakPolarHBondContact O-CB 3.31Å; M1614-A1618 PolarHBondContact O-N 3.22Å |
| 1615 | L | 80.8 | Confident | 69.4 | Low | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 172.3 | -179.5 | 63.9 | 0 | 0 | 0 | 110.4 | W1586 I1587 A1590 L1594 L1611 T1612 K1617 A1618 Y1619 I1634 | W1586-L1615 HydrophobicContact CZ3-CD1 4.11Å; I1587-L1615 HydrophobicContact CG2-CD1 4.08Å; A1590-L1615 HydrophobicContact CB-CD1 4.01Å; L1594-L1615 HydrophobicContact CD1-CD2 3.69Å; L1611-L1615 VanDerWaalsContact O-CB 3.24Å; L1611-L1615 WeakPolarHBondContact O-CB 3.38Å; L1611-L1615 PolarHBondContact O-N 3.36Å; T1612-L1615 PolarHBondContact O-N 3.47Å; L1615-K1617 VanDerWaalsContact C-N 3.34Å; L1615-K1617 PolarHBondContact O-N 2.77Å; L1615-A1618 CarbonylContact O-C 3.57Å; L1615-A1618 WeakPolarHBondContact O-CB 3.29Å; L1615-A1618 PolarHBondContact O-N 3.49Å; L1615-Y1619 HydrophobicContact CD1-CD2 3.9Å; L1615-Y1619 HydrophobicContact CD1-CE2 3.46Å; L1615-Y1619 VanDerWaalsContact CD1-CE2 3.46Å; L1615-Y1619 HydrophobicContact CD2-CE2 4.02Å; L1615-Y1619 HydrophobicContact CG-CD2 3.73Å; L1615-Y1619 HydrophobicContact CG-CE2 3.5Å; L1615-Y1619 WeakPolarHBondContact O-CB 3.05Å; L1615-Y1619 WeakPolarHBondContact O-CD2 3.35Å; L1615-Y1619 PolarHBondContact O-N 3.39Å; L1615-I1634 HydrophobicContact CD2-CD1 3.66Å |
| 1616 | L | 73.8 | Confident | 67.8 | Low | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 174.8 | -71.3 | 168.2 | 0 | 0 | 0 | 112.1 | T1612 Y1619 C1620 L1631 A1657 Q1660 L1661 V1664 | T1612-L1616 HydrophobicContact CG2-CD1 4.01Å; T1612-L1616 HydrophobicContact CG2-CG 4.41Å; T1612-L1616 WeakPolarHBondContact O-CB 3.41Å; T1612-L1616 WeakPolarHBondContact O-CG 3.25Å; T1612-L1616 PolarHBondContact O-N 3.18Å; L1616-Y1619 PolarHBondContact O-N 3.22Å; L1616-C1620 WeakPolarHBondContact O-CB 3.19Å; L1616-C1620 PolarHBondContact O-N 2.85Å; L1616-C1620 PolarHBondContact O-SG 3.32Å; L1616-L1631 HydrophobicContact CD2-CD2 4.39Å; L1616-A1657 HydrophobicContact CD1-CB 4.07Å; L1616-A1657 WeakPolarHBondContact CD1-O 3.45Å; L1616-Q1660 HydrophobicContact CB-CB 4.21Å; L1616-Q1660 HydrophobicContact CD1-CB 3.95Å; L1616-L1661 HydrophobicContact CD1-CB 3.99Å; L1616-L1661 HydrophobicContact CD2-CB 4.01Å; L1616-L1661 HydrophobicContact CD2-CD1 3.79Å; L1616-V1664 HydrophobicContact CD2-CB 4.46Å |
| 1617 | K | 70.6 | Confident | 66.2 | Low | 92 Ų | 92 | 37.1 Ų | 37.1 | 40% | 0.4 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65 | -41.8 | 170.8 | -77.3 | 171.2 | -174.6 | 175.3 | 0 | 112 | F1568 S1613 M1614 L1615 Y1619 C1620 M1621 | F1568-K1617 HydrophobicContact CZ-CB 4.3Å; S1613-K1617 WeakPolarHBondContact O-CB 3.47Å; S1613-K1617 VanDerWaalsContact O-CG 3.24Å; S1613-K1617 WeakPolarHBondContact O-CG 3.34Å; S1613-K1617 PolarHBondContact O-N 2.94Å; M1614-K1617 PolarHBondContact O-N 3.42Å; L1615-K1617 VanDerWaalsContact C-N 3.34Å; L1615-K1617 PolarHBondContact O-N 2.77Å; K1617-Y1619 VanDerWaalsContact C-N 3.31Å; K1617-C1620 PolarHBondContact O-N 2.63Å; K1617-M1621 VanDerWaalsContact O-CG 3.26Å; K1617-M1621 WeakPolarHBondContact O-CG 3.27Å; K1617-M1621 PolarHBondContact O-N 3.12Å |
| 1618 | A | 71.5 | Confident | 64.6 | Low | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | F1568 F1572 W1586 I1587 M1614 L1615 M1621 H1622 | F1568-A1618 HydrophobicContact CE2-CB 4.19Å; F1572-A1618 HydrophobicContact CE1-CB 3.77Å; F1572-A1618 HydrophobicContact CE2-CB 4.21Å; F1572-A1618 HydrophobicContact CZ-CB 3.53Å; W1586-A1618 HydrophobicContact CE3-CB 4.42Å; W1586-A1618 HydrophobicContact CZ3-CB 3.89Å; I1587-A1618 HydrophobicContact CD1-CB 4.44Å; I1587-A1618 HydrophobicContact CG1-CB 4.22Å; M1614-A1618 WeakPolarHBondContact O-CB 3.31Å; M1614-A1618 PolarHBondContact O-N 3.22Å; L1615-A1618 CarbonylContact O-C 3.57Å; L1615-A1618 WeakPolarHBondContact O-CB 3.29Å; L1615-A1618 PolarHBondContact O-N 3.49Å; A1618-M1621 CarbonylContact O-C 3.56Å; A1618-M1621 WeakPolarHBondContact O-CA 3.49Å; A1618-M1621 WeakPolarHBondContact O-CB 3.44Å; A1618-M1621 PolarHBondContact O-N 3.4Å; A1618-M1621 VanDerWaalsContact O-N 3.14Å; A1618-H1622 WeakPolarHBondContact O-CB 3.27Å; A1618-H1622 PolarHBondContact O-N 3.29Å |
| 1619 | Y | 68.5 | Low | 63.2 | Low | 12 Ų | 12 | 41.8 Ų | 41.8 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.3 | -41 | 173.1 | -82.4 | -63.4 | 0 | 0 | 0 | 112.3 | I1587 C1591 L1615 L1616 K1617 M1621 H1622 T1627 L1631 | I1587-Y1619 HydrophobicContact CG2-CE1 3.98Å; I1587-Y1619 HydrophobicContact CG2-CE2 4.19Å; I1587-Y1619 WeakPolarHBondContact CG2-OH 3.29Å; C1591-Y1619 PolarHBondContact SG-OH 3.02Å; L1615-Y1619 HydrophobicContact CD1-CD2 3.9Å; L1615-Y1619 HydrophobicContact CD1-CE2 3.46Å; L1615-Y1619 VanDerWaalsContact CD1-CE2 3.46Å; L1615-Y1619 HydrophobicContact CD2-CE2 4.02Å; L1615-Y1619 HydrophobicContact CG-CD2 3.73Å; L1615-Y1619 HydrophobicContact CG-CE2 3.5Å; L1615-Y1619 WeakPolarHBondContact O-CB 3.05Å; L1615-Y1619 WeakPolarHBondContact O-CD2 3.35Å; L1615-Y1619 PolarHBondContact O-N 3.39Å; L1616-Y1619 PolarHBondContact O-N 3.22Å; K1617-Y1619 VanDerWaalsContact C-N 3.31Å; Y1619-M1621 PolarHBondContact O-N 3.35Å; Y1619-H1622 CarbonylContact O-C 3.51Å; Y1619-H1622 WeakPolarHBondContact O-CA 3.25Å; Y1619-H1622 PolarHBondContact O-N 2.87Å; Y1619-T1627 WeakPolarHBondContact CE1-OG1 3.43Å; Y1619-L1631 HydrophobicContact CD1-CD1 4.35Å; Y1619-L1631 HydrophobicContact CD2-CD1 4.1Å; Y1619-L1631 HydrophobicContact CD2-CD2 3.92Å; Y1619-L1631 HydrophobicContact CD2-CG 4.32Å; Y1619-L1631 HydrophobicContact CE1-CD1 4.28Å; Y1619-L1631 HydrophobicContact CE2-CD1 4Å; Y1619-L1631 HydrophobicContact CE2-CD2 3.63Å; Y1619-L1631 HydrophobicContact CE2-CG 3.83Å; Y1619-L1631 HydrophobicContact CG-CD1 4.29Å |
| 1620 | C | 58.4 | Low | 62.2 | Low | 76 Ų | 76 | 45.8 Ų | 45.8 | 51% | 0.514 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.1 | -26.4 | 171.7 | -71.9 | 0 | 0 | 0 | 0 | 112.7 | L1616 K1617 H1622 V1664 | L1616-C1620 WeakPolarHBondContact O-CB 3.19Å; L1616-C1620 PolarHBondContact O-N 2.85Å; L1616-C1620 PolarHBondContact O-SG 3.32Å; K1617-C1620 PolarHBondContact O-N 2.63Å; C1620-H1622 VanDerWaalsContact C-N 3.31Å; C1620-V1664 VanDerWaalsContact SG-CG2 3.53Å |
| 1621 | M | 58.8 | Low | 61 | Low | 106 Ų | 106 | 41 Ų | 41 | 52% | 0.522 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3.6 | 173.7 | -65.1 | 172 | -169.2 | 0 | 0 | 112.6 | N499 F1572 K1617 A1618 Y1619 | N499-M1621 PolarHBondContact OD1-O 3.34Å; F1572-M1621 HydrophobicContact CD1-SD 3.92Å; K1617-M1621 VanDerWaalsContact O-CG 3.26Å; K1617-M1621 WeakPolarHBondContact O-CG 3.27Å; K1617-M1621 PolarHBondContact O-N 3.12Å; A1618-M1621 CarbonylContact O-C 3.56Å; A1618-M1621 WeakPolarHBondContact O-CA 3.49Å; A1618-M1621 WeakPolarHBondContact O-CB 3.44Å; A1618-M1621 PolarHBondContact O-N 3.4Å; A1618-M1621 VanDerWaalsContact O-N 3.14Å; Y1619-M1621 PolarHBondContact O-N 3.35Å |
| 1622 | H | 53.1 | Low | 59.7 | Low | 43 Ų | 43 | 43.4 Ų | 43.4 | 20% | 0.199 | 27% | 0.267 | C | S | . | . | trans | -122.9 | 121.9 | -172 | -174.6 | -81.3 | 0 | 0 | 0 | 112.1 | A1618 Y1619 C1620 F1624 | A1618-H1622 WeakPolarHBondContact O-CB 3.27Å; A1618-H1622 PolarHBondContact O-N 3.29Å; Y1619-H1622 CarbonylContact O-C 3.51Å; Y1619-H1622 WeakPolarHBondContact O-CA 3.25Å; Y1619-H1622 PolarHBondContact O-N 2.87Å; C1620-H1622 VanDerWaalsContact C-N 3.31Å; H1622-F1624 PolarHBondContact ND1-N 3.3Å | ||
| 1623 | P | 43.5 | Very low | 58.8 | Low | 40 Ų | 40 | 45 Ų | 45 | 26% | 0.26 | 28% | 0.284 | S | S | . | . | trans | -101.2 | 19.4 | -168.5 | 38.2 | -37.8 | 0 | 0 | 0 | 115.8 | F496 N499 | F496-P1623 HydrophobicContact CD2-CB 4.36Å; F496-P1623 HydrophobicContact CD2-CG 4.41Å; N499-P1623 VanDerWaalsContact CB-CD 3.48Å; N499-P1623 HydrophobicContact CB-CG 3.36Å; N499-P1623 WeakPolarHBondContact ND2-CD 3.17Å; N499-P1623 WeakPolarHBondContact ND2-CG 3.23Å; N499-P1623 WeakPolarHBondContact OD1-CD 3.48Å | ||
| 1624 | F | 38.9 | Very low | 58.1 | Low | 36 Ų | 36 | 44.1 Ų | 44.1 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | trans | -114.3 | 129.6 | 175.4 | -63.3 | -71.3 | 0 | 0 | 0 | 113.8 | F452 F496 V500 H1622 | F452-F1624 HydrophobicContact CB-CE1 3.93Å; F452-F1624 AromaticContact CD1-CE1 3.49Å; F452-F1624 HydrophobicContact CD1-CE1 3.49Å; F452-F1624 VanDerWaalsContact CD1-CE1 3.49Å; F452-F1624 AromaticContact CD1-CZ 3.6Å; F452-F1624 HydrophobicContact CD1-CZ 3.6Å; F452-F1624 HydrophobicContact CE1-CE1 4.41Å; F452-F1624 HydrophobicContact CE1-CZ 4.09Å; F452-F1624 HydrophobicContact CG-CE1 4.09Å; F496-F1624 AromaticContact CE2-CE1 3.6Å; F496-F1624 HydrophobicContact CE2-CE1 3.6Å; F496-F1624 AromaticContact CE2-CZ 3.63Å; F496-F1624 HydrophobicContact CE2-CZ 3.63Å; F496-F1624 HydrophobicContact CZ-CE1 4.23Å; F496-F1624 HydrophobicContact CZ-CZ 4.14Å; V500-F1624 HydrophobicContact CG2-CZ 4.4Å; H1622-F1624 PolarHBondContact ND1-N 3.3Å | ||
| 1625 | G | 43 | Very low | 57 | Low | 57 Ų | 57 | 43.3 Ų | 43.3 | 59% | 0.588 | 27% | 0.273 | S | S | * | . | trans | -84.3 | 1.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | T1627 V1628 | G1625-T1627 PolarHBondContact O-N 3.17Å; G1625-V1628 VanDerWaalsContact O-CG2 3.31Å; G1625-V1628 WeakPolarHBondContact O-CG2 3.29Å; G1625-V1628 PolarHBondContact O-N 2.9Å; G1625-V1628 VanDerWaalsContact O-N 3.14Å | ||
| 1626 | S | 39.7 | Very low | 56.2 | Low | 101 Ų | 101 | 48.3 Ų | 48.3 | 71% | 0.706 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -4.6 | -178.7 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1627 | T | 44.1 | Very low | 55.7 | Low | 29 Ų | 29 | 50.5 Ų | 50.5 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 4.5 | 176.2 | 31.5 | 0 | 0 | 0 | 0 | 114.2 | Y1619 G1625 A1629 Q1630 L1631 | Y1619-T1627 WeakPolarHBondContact CE1-OG1 3.43Å; G1625-T1627 PolarHBondContact O-N 3.17Å; T1627-A1629 PolarHBondContact O-N 3.24Å; T1627-Q1630 WeakPolarHBondContact O-CB 3.45Å; T1627-Q1630 PolarHBondContact O-N 3.27Å; T1627-L1631 PolarHBondContact O-N 3.5Å |
| 1628 | V | 46.8 | Very low | 55.5 | Low | 56 Ų | 56 | 46.3 Ų | 46.3 | 34% | 0.339 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58 | -32.6 | 175.7 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | G1625 Q1630 L1631 S1632 | G1625-V1628 VanDerWaalsContact O-CG2 3.31Å; G1625-V1628 WeakPolarHBondContact O-CG2 3.29Å; G1625-V1628 PolarHBondContact O-N 2.9Å; G1625-V1628 VanDerWaalsContact O-N 3.14Å; V1628-Q1630 VanDerWaalsContact C-N 3.28Å; V1628-Q1630 PolarHBondContact O-N 2.68Å; V1628-L1631 WeakPolarHBondContact O-CB 3.27Å; V1628-L1631 PolarHBondContact O-N 2.73Å; V1628-L1631 VanDerWaalsContact O-N 3.11Å; V1628-S1632 PolarHBondContact O-N 2.96Å |
| 1629 | A | 52.9 | Low | 55.2 | Low | 78 Ų | 78 | 47.8 Ų | 47.8 | 65% | 0.645 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.3 | -27.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1627 S1632 | T1627-A1629 PolarHBondContact O-N 3.24Å; A1629-S1632 PolarHBondContact O-OG 2.93Å |
| 1630 | Q | 56.2 | Low | 55.1 | Low | 88 Ų | 88 | 52 Ų | 52 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -78.2 | -30.8 | 173 | -66.2 | -177.1 | -6.4 | 0 | 0 | 111.4 | T1627 V1628 | T1627-Q1630 WeakPolarHBondContact O-CB 3.45Å; T1627-Q1630 PolarHBondContact O-N 3.27Å; V1628-Q1630 VanDerWaalsContact C-N 3.28Å; V1628-Q1630 PolarHBondContact O-N 2.68Å |
| 1631 | L | 57.1 | Low | 55.5 | Low | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.9 | -33.4 | 173.6 | -78.3 | 163.4 | 0 | 0 | 0 | 112 | L1616 Y1619 T1627 V1628 G1633 I1634 T1635 L1661 V1664 | L1616-L1631 HydrophobicContact CD2-CD2 4.39Å; Y1619-L1631 HydrophobicContact CD1-CD1 4.35Å; Y1619-L1631 HydrophobicContact CD2-CD1 4.1Å; Y1619-L1631 HydrophobicContact CD2-CD2 3.92Å; Y1619-L1631 HydrophobicContact CD2-CG 4.32Å; Y1619-L1631 HydrophobicContact CE1-CD1 4.28Å; Y1619-L1631 HydrophobicContact CE2-CD1 4Å; Y1619-L1631 HydrophobicContact CE2-CD2 3.63Å; Y1619-L1631 HydrophobicContact CE2-CG 3.83Å; Y1619-L1631 HydrophobicContact CG-CD1 4.29Å; T1627-L1631 PolarHBondContact O-N 3.5Å; V1628-L1631 WeakPolarHBondContact O-CB 3.27Å; V1628-L1631 PolarHBondContact O-N 2.73Å; V1628-L1631 VanDerWaalsContact O-N 3.11Å; L1631-G1633 VanDerWaalsContact C-N 3.31Å; L1631-G1633 PolarHBondContact O-N 3.4Å; L1631-I1634 WeakPolarHBondContact O-CB 3.26Å; L1631-I1634 PolarHBondContact O-N 2.72Å; L1631-T1635 PolarHBondContact O-N 3.18Å; L1631-T1635 PolarHBondContact O-OG1 3.15Å; L1631-L1661 HydrophobicContact CD2-CD1 4.07Å; L1631-V1664 HydrophobicContact CD1-CG1 4.32Å |
| 1632 | S | 57.4 | Low | 55.7 | Low | 50 Ų | 50 | 43.5 Ų | 43.5 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 177.3 | 67 | 0 | 0 | 0 | 0 | 112.8 | V1628 A1629 I1634 T1635 D1636 | V1628-S1632 PolarHBondContact O-N 2.96Å; A1629-S1632 PolarHBondContact O-OG 2.93Å; S1632-I1634 PolarHBondContact O-N 3.02Å; S1632-T1635 VanDerWaalsContact C-OG1 3.23Å; S1632-T1635 WeakPolarHBondContact CA-OG1 3.42Å; S1632-T1635 PolarHBondContact O-N 3.38Å; S1632-T1635 PolarHBondContact O-OG1 3.39Å; S1632-D1636 PolarHBondContact O-N 2.91Å |
| 1633 | G | 60 | Low | 56.3 | Low | 36 Ų | 36 | 45.8 Ų | 45.8 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.6 | -24.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1631 | L1631-G1633 VanDerWaalsContact C-N 3.31Å; L1631-G1633 PolarHBondContact O-N 3.4Å |
| 1634 | I | 61 | Low | 57.2 | Low | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -83.4 | -37.1 | 176.7 | -59.3 | 169.8 | 0 | 0 | 0 | 110.4 | C1591 L1594 L1615 L1631 S1632 D1636 K1637 F1638 | C1591-I1634 HydrophobicContact CB-CD1 4.35Å; L1594-I1634 HydrophobicContact CB-CD1 4.34Å; L1594-I1634 HydrophobicContact CB-CG1 4.29Å; L1594-I1634 HydrophobicContact CD1-CD1 4.16Å; L1594-I1634 HydrophobicContact CD1-CG2 4.4Å; L1615-I1634 HydrophobicContact CD2-CD1 3.66Å; L1631-I1634 WeakPolarHBondContact O-CB 3.26Å; L1631-I1634 PolarHBondContact O-N 2.72Å; S1632-I1634 PolarHBondContact O-N 3.02Å; I1634-D1636 VanDerWaalsContact C-N 3.29Å; I1634-D1636 PolarHBondContact O-N 3.45Å; I1634-K1637 PolarHBondContact O-N 3.38Å; I1634-K1637 VanDerWaalsContact O-N 3.12Å; I1634-F1638 HydrophobicContact CG2-CD2 4.33Å; I1634-F1638 HydrophobicContact CG2-CE2 4.02Å; I1634-F1638 WeakPolarHBondContact O-CD2 3.48Å; I1634-F1638 PolarHBondContact O-N 2.87Å |
| 1635 | T | 61.5 | Low | 58.3 | Low | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.3 | -43 | 176.7 | 34.8 | 0 | 0 | 0 | 0 | 112.1 | L1631 S1632 K1637 F1638 L1661 L1674 | L1631-T1635 PolarHBondContact O-N 3.18Å; L1631-T1635 PolarHBondContact O-OG1 3.15Å; S1632-T1635 VanDerWaalsContact C-OG1 3.23Å; S1632-T1635 WeakPolarHBondContact CA-OG1 3.42Å; S1632-T1635 PolarHBondContact O-N 3.38Å; S1632-T1635 PolarHBondContact O-OG1 3.39Å; T1635-K1637 PolarHBondContact O-N 2.57Å; T1635-K1637 VanDerWaalsContact O-N 3.16Å; T1635-F1638 WeakPolarHBondContact O-CB 3.43Å; T1635-F1638 PolarHBondContact O-N 3.44Å; T1635-L1661 HydrophobicContact CG2-CD1 4.22Å; T1635-L1661 HydrophobicContact CG2-CD2 3.44Å; T1635-L1661 VanDerWaalsContact CG2-CD2 3.44Å; T1635-L1661 HydrophobicContact CG2-CG 4.09Å; T1635-L1674 VanDerWaalsContact O-CD2 3.31Å; T1635-L1674 WeakPolarHBondContact O-CD2 3.24Å |
| 1636 | D | 62.4 | Low | 59.2 | Low | 106 Ų | 106 | 47.9 Ų | 47.9 | 57% | 0.567 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -25.5 | -178.1 | -67.9 | -21.2 | 0 | 0 | 0 | 113 | S1632 I1634 S1639 | S1632-D1636 PolarHBondContact O-N 2.91Å; I1634-D1636 VanDerWaalsContact C-N 3.29Å; I1634-D1636 PolarHBondContact O-N 3.45Å; D1636-S1639 PolarHBondContact O-OG 3.01Å |
| 1637 | K | 63.6 | Low | 60.2 | Low | 45 Ų | 45 | 45.4 Ų | 45.4 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -10.4 | 176.8 | -69.6 | -169.1 | 171.8 | -162.9 | 0 | 114.7 | L1594 S1595 A1597 I1634 T1635 S1639 L1640 Y1641 | L1594-K1637 WeakPolarHBondContact O-CD 3.32Å; L1594-K1637 PolarHBondContact O-NZ 2.9Å; L1594-K1637 VanDerWaalsContact O-NZ 3.1Å; S1595-K1637 WeakPolarHBondContact O-CE 3.4Å; S1595-K1637 PolarHBondContact O-NZ 3.36Å; A1597-K1637 PolarHBondContact O-NZ 3.43Å; I1634-K1637 PolarHBondContact O-N 3.38Å; I1634-K1637 VanDerWaalsContact O-N 3.12Å; T1635-K1637 PolarHBondContact O-N 2.57Å; T1635-K1637 VanDerWaalsContact O-N 3.16Å; K1637-S1639 PolarHBondContact O-N 2.86Å; K1637-L1640 WeakPolarHBondContact O-CB 3.18Å; K1637-L1640 PolarHBondContact O-N 2.9Å; K1637-L1640 VanDerWaalsContact O-N 3.1Å; K1637-Y1641 HydrophobicContact CB-CE2 4.33Å; K1637-Y1641 PolarHBondContact O-N 3.24Å |
| 1638 | F | 66.6 | Low | 61 | Low | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -28.4 | 179.2 | -98 | -98 | 0 | 0 | 0 | 113 | T1612 I1634 T1635 L1640 Y1641 M1642 L1654 L1661 L1674 | T1612-F1638 HydrophobicContact CG2-CE1 4.42Å; T1612-F1638 HydrophobicContact CG2-CE2 3.87Å; T1612-F1638 HydrophobicContact CG2-CZ 3.45Å; T1612-F1638 VanDerWaalsContact CG2-CZ 3.45Å; I1634-F1638 HydrophobicContact CG2-CD2 4.33Å; I1634-F1638 HydrophobicContact CG2-CE2 4.02Å; I1634-F1638 WeakPolarHBondContact O-CD2 3.48Å; I1634-F1638 PolarHBondContact O-N 2.87Å; T1635-F1638 WeakPolarHBondContact O-CB 3.43Å; T1635-F1638 PolarHBondContact O-N 3.44Å; F1638-L1640 VanDerWaalsContact C-N 3.3Å; F1638-L1640 PolarHBondContact O-N 3.41Å; F1638-Y1641 HydrophobicContact CG-CD2 4.3Å; F1638-Y1641 PolarHBondContact O-N 3.05Å; F1638-M1642 VanDerWaalsContact O-CG 3.31Å; F1638-M1642 WeakPolarHBondContact O-CG 3.49Å; F1638-M1642 PolarHBondContact O-N 2.94Å; F1638-L1654 HydrophobicContact CD1-CD2 4.01Å; F1638-L1654 HydrophobicContact CE1-CD2 4.21Å; F1638-L1661 HydrophobicContact CD2-CD2 3.99Å; F1638-L1661 HydrophobicContact CE2-CD2 3.43Å; F1638-L1661 VanDerWaalsContact CE2-CD2 3.43Å; F1638-L1661 HydrophobicContact CZ-CD2 3.72Å; F1638-L1674 HydrophobicContact CB-CD1 3.69Å; F1638-L1674 HydrophobicContact CB-CD2 3.86Å; F1638-L1674 HydrophobicContact CB-CG 4.37Å |
| 1639 | S | 64.8 | Low | 61.7 | Low | 33 Ų | 33 | 51.6 Ų | 51.6 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 174.6 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | D1636 K1637 M1642 D1643 | D1636-S1639 PolarHBondContact O-OG 3.01Å; K1637-S1639 PolarHBondContact O-N 2.86Å; S1639-M1642 WeakPolarHBondContact O-CB 3.24Å; S1639-M1642 PolarHBondContact O-N 3.16Å; S1639-D1643 PolarHBondContact O-N 3.35Å |
| 1640 | L | 66.7 | Low | 62 | Low | 99 Ų | 99 | 48.4 Ų | 48.4 | 52% | 0.518 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 176.7 | -58.6 | 170.9 | 0 | 0 | 0 | 112 | I1599 K1637 F1638 M1642 D1643 A1644 | I1599-L1640 VanDerWaalsContact CD1-C 3.44Å; I1599-L1640 HydrophobicContact CD1-CB 3.72Å; I1599-L1640 WeakPolarHBondContact CD1-O 3.25Å; K1637-L1640 WeakPolarHBondContact O-CB 3.18Å; K1637-L1640 PolarHBondContact O-N 2.9Å; K1637-L1640 VanDerWaalsContact O-N 3.1Å; F1638-L1640 VanDerWaalsContact C-N 3.3Å; F1638-L1640 PolarHBondContact O-N 3.41Å; L1640-M1642 VanDerWaalsContact C-N 3.29Å; L1640-M1642 PolarHBondContact O-N 3Å; L1640-D1643 PolarHBondContact O-N 3.34Å; L1640-A1644 WeakPolarHBondContact O-CB 3.43Å; L1640-A1644 PolarHBondContact O-N 3.15Å |
| 1641 | Y | 66.8 | Low | 62.3 | Low | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -35.7 | 173.9 | -60.9 | -44.4 | 0 | 0 | 0 | 111.8 | I1599 A1608 K1637 F1638 T1645 | I1599-Y1641 HydrophobicContact CD1-CD1 3.11Å; I1599-Y1641 HydrophobicContact CD1-CE1 3.45Å; I1599-Y1641 VanDerWaalsContact CD1-CE1 3.45Å; I1599-Y1641 HydrophobicContact CD1-CG 4.05Å; I1599-Y1641 HydrophobicContact CG1-CD1 3.65Å; I1599-Y1641 HydrophobicContact CG1-CE1 3.58Å; A1608-Y1641 HydrophobicContact CB-CD1 3.67Å; A1608-Y1641 HydrophobicContact CB-CE1 3.34Å; A1608-Y1641 HydrophobicContact CB-CG 4.47Å; K1637-Y1641 HydrophobicContact CB-CE2 4.33Å; K1637-Y1641 PolarHBondContact O-N 3.24Å; F1638-Y1641 HydrophobicContact CG-CD2 4.3Å; F1638-Y1641 PolarHBondContact O-N 3.05Å; Y1641-T1645 WeakPolarHBondContact O-CG2 3.18Å; Y1641-T1645 PolarHBondContact O-N 3.39Å; Y1641-T1645 PolarHBondContact O-OG1 3.08Å; Y1641-T1645 VanDerWaalsContact O-OG1 3.06Å |
| 1642 | M | 63.2 | Low | 62.6 | Low | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 177.5 | -76.5 | -67.3 | -71.1 | 0 | 0 | 112.4 | F1638 S1639 L1640 A1644 T1645 L1654 Y1678 T1681 V1682 | F1638-M1642 VanDerWaalsContact O-CG 3.31Å; F1638-M1642 WeakPolarHBondContact O-CG 3.49Å; F1638-M1642 PolarHBondContact O-N 2.94Å; S1639-M1642 WeakPolarHBondContact O-CB 3.24Å; S1639-M1642 PolarHBondContact O-N 3.16Å; L1640-M1642 VanDerWaalsContact C-N 3.29Å; L1640-M1642 PolarHBondContact O-N 3Å; M1642-A1644 VanDerWaalsContact C-N 3.33Å; M1642-A1644 PolarHBondContact O-N 3.43Å; M1642-T1645 PolarHBondContact O-N 3.4Å; M1642-T1645 PolarHBondContact O-OG1 2.94Å; M1642-L1654 HydrophobicContact CG-CD1 4.14Å; M1642-L1654 HydrophobicContact CG-CD2 3.98Å; M1642-L1654 HydrophobicContact SD-CD1 3.63Å; M1642-L1654 HydrophobicContact SD-CD2 3.23Å; M1642-L1654 WeakPolarHBondContact SD-CD2 2.76Å; M1642-L1654 HydrophobicContact SD-CG 4Å; M1642-Y1678 HydrophobicContact CE-CD2 3.48Å; M1642-Y1678 VanDerWaalsContact CE-CD2 3.48Å; M1642-Y1678 HydrophobicContact CE-CE2 4.01Å; M1642-Y1678 HydrophobicContact CE-CG 4.14Å; M1642-Y1678 HydrophobicContact CG-CD2 4.47Å; M1642-Y1678 HydrophobicContact SD-CD2 3.74Å; M1642-Y1678 HydrophobicContact SD-CE2 4.1Å; M1642-T1681 HydrophobicContact CE-CG2 4.43Å; M1642-V1682 HydrophobicContact CE-CG2 3.43Å; M1642-V1682 VanDerWaalsContact CE-CG2 3.43Å |
| 1643 | D | 65.7 | Low | 62.9 | Low | 92 Ų | 92 | 52 Ų | 52 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.1 | -35 | 179.5 | -68.9 | -25 | 0 | 0 | 0 | 112.6 | S1639 L1640 H1677 | S1639-D1643 PolarHBondContact O-N 3.35Å; L1640-D1643 PolarHBondContact O-N 3.34Å; D1643-H1677 VanDerWaalsContact CG-NE2 3.32Å; D1643-H1677 IonicContact OD1-CD2 2.97Å; D1643-H1677 IonicContact OD1-CE1 3.76Å; D1643-H1677 PolarHBondContact OD1-CE1 3.17Å; D1643-H1677 IonicContact OD1-NE2 3.99Å; D1643-H1677 PolarHBondContact OD1-NE2 3.14Å; D1643-H1677 IonicContact OD2-CE1 2.92Å; D1643-H1677 IonicContact OD2-NE2 3.33Å; D1643-H1677 PolarHBondContact OD2-NE2 3.06Å |
| 1644 | A | 63 | Low | 63.1 | Low | 25 Ų | 25 | 50.3 Ų | 50.3 | 21% | 0.207 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -77.2 | -24.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | I1599 A1605 L1640 M1642 K1646 | I1599-A1644 HydrophobicContact CG2-CB 3.64Å; A1605-A1644 HydrophobicContact CB-CB 3.89Å; L1640-A1644 WeakPolarHBondContact O-CB 3.43Å; L1640-A1644 PolarHBondContact O-N 3.15Å; M1642-A1644 VanDerWaalsContact C-N 3.33Å; M1642-A1644 PolarHBondContact O-N 3.43Å; A1644-K1646 PolarHBondContact O-N 3.09Å |
| 1645 | T | 61.4 | Low | 63.3 | Low | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | trans | -87.5 | 108.8 | -175.9 | 49 | 0 | 0 | 0 | 0 | 112 | A1605 Y1641 M1642 R1651 L1654 | A1605-T1645 HydrophobicContact CB-CG2 3.59Å; Y1641-T1645 WeakPolarHBondContact O-CG2 3.18Å; Y1641-T1645 PolarHBondContact O-N 3.39Å; Y1641-T1645 PolarHBondContact O-OG1 3.08Å; Y1641-T1645 VanDerWaalsContact O-OG1 3.06Å; M1642-T1645 PolarHBondContact O-N 3.4Å; M1642-T1645 PolarHBondContact O-OG1 2.94Å; T1645-R1651 PolarHBondContact O-NE 3.28Å; T1645-R1651 PolarHBondContact O-NH2 3.44Å; T1645-L1654 HydrophobicContact CG2-CD1 4.39Å | ||
| 1646 | K | 62.1 | Low | 63.5 | Low | 150 Ų | 150 | 56.2 Ų | 56.2 | 65% | 0.652 | 28% | 0.284 | S | S | * | . | trans | -92 | -32.3 | 171.6 | -63.6 | -171.8 | -171.5 | 168.1 | 0 | 113.8 | E1602 A1644 R1651 | E1602-K1646 WeakPolarHBondContact OE1-CB 3.32Å; E1602-K1646 VanDerWaalsContact OE1-CD 3.27Å; E1602-K1646 WeakPolarHBondContact OE1-CD 3.33Å; E1602-K1646 VanDerWaalsContact OE1-CG 3.31Å; E1602-K1646 WeakPolarHBondContact OE1-CG 3.31Å; A1644-K1646 PolarHBondContact O-N 3.09Å; K1646-R1651 PolarHBondContact O-NH1 3.41Å | ||
| 1647 | A | 60.9 | Low | 63.6 | Low | 49 Ų | 49 | 51.2 Ų | 51.2 | 41% | 0.405 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -73.9 | 141.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1650 R1651 | A1647-T1650 WeakPolarHBondContact CB-OG1 3.38Å; A1647-T1650 PolarHBondContact O-N 2.92Å; A1647-T1650 PolarHBondContact O-OG1 3.15Å; A1647-R1651 PolarHBondContact O-N 3.18Å |
| 1648 | C | 60.5 | Low | 63.8 | Low | 65 Ų | 65 | 49.2 Ų | 49.2 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -40.7 | -174.5 | -171.3 | 0 | 0 | 0 | 0 | 112.8 | T1650 R1651 R1652 | C1648-T1650 PolarHBondContact O-N 3.42Å; C1648-R1651 PolarHBondContact O-N 3.2Å; C1648-R1652 WeakPolarHBondContact O-CG 3.26Å; C1648-R1652 PolarHBondContact O-N 2.89Å |
| 1649 | E | 61.5 | Low | 63.7 | Low | 149 Ų | 149 | 50.1 Ų | 50.1 | 70% | 0.696 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 179.6 | -66.3 | -170.1 | 160.9 | 0 | 0 | 112.6 | R1652 M1653 | E1649-R1652 WeakPolarHBondContact O-CB 3.45Å; E1649-R1652 PolarHBondContact O-N 3.25Å; E1649-M1653 PolarHBondContact O-N 3.2Å |
| 1650 | T | 60 | Low | 63.5 | Low | 11 Ų | 11 | 51.1 Ų | 51.1 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 174.1 | 33.9 | 0 | 0 | 0 | 0 | 112.2 | E1606 A1647 C1648 R1652 M1653 L1654 | E1606-T1650 HydrophobicContact CB-CG2 3.53Å; E1606-T1650 HydrophobicContact CG-CG2 3.59Å; A1647-T1650 WeakPolarHBondContact CB-OG1 3.38Å; A1647-T1650 PolarHBondContact O-N 2.92Å; A1647-T1650 PolarHBondContact O-OG1 3.15Å; C1648-T1650 PolarHBondContact O-N 3.42Å; T1650-R1652 PolarHBondContact O-N 3.25Å; T1650-M1653 HydrophobicContact CG2-CE 4.12Å; T1650-M1653 PolarHBondContact O-N 3.47Å; T1650-L1654 WeakPolarHBondContact O-CB 3.03Å; T1650-L1654 PolarHBondContact O-N 2.92Å |
| 1651 | R | 62.6 | Low | 63.3 | Low | 46 Ų | 46 | 46.4 Ų | 46.4 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.9 | -36.6 | 174.6 | -75.1 | -172.8 | -175 | 139.8 | 0.9 | 112.6 | T1645 K1646 A1647 C1648 L1654 G1655 T1685 | T1645-R1651 PolarHBondContact O-NE 3.28Å; T1645-R1651 PolarHBondContact O-NH2 3.44Å; K1646-R1651 PolarHBondContact O-NH1 3.41Å; A1647-R1651 PolarHBondContact O-N 3.18Å; C1648-R1651 PolarHBondContact O-N 3.2Å; R1651-L1654 PolarHBondContact O-N 3.3Å; R1651-G1655 PolarHBondContact O-N 3.39Å; R1651-T1685 VanDerWaalsContact NH1-CG2 3.32Å; R1651-T1685 PolarHBondContact NH1-OG1 3Å |
| 1652 | R | 63.5 | Low | 63.1 | Low | 108 Ų | 108 | 46.9 Ų | 46.9 | 41% | 0.408 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 173.5 | -71.1 | 179.1 | 172.1 | 173.6 | -1.9 | 112 | C1648 E1649 T1650 L1654 G1655 K1656 D1689 L1691 | C1648-R1652 WeakPolarHBondContact O-CG 3.26Å; C1648-R1652 PolarHBondContact O-N 2.89Å; E1649-R1652 WeakPolarHBondContact O-CB 3.45Å; E1649-R1652 PolarHBondContact O-N 3.25Å; T1650-R1652 PolarHBondContact O-N 3.25Å; R1652-L1654 VanDerWaalsContact C-N 3.35Å; R1652-G1655 PolarHBondContact O-N 2.95Å; R1652-K1656 WeakPolarHBondContact O-CG 3.26Å; R1652-K1656 PolarHBondContact O-N 2.7Å; R1652-D1689 IonicContact CZ-OD1 2.94Å; R1652-D1689 IonicContact CZ-OD2 3.08Å; R1652-D1689 IonicContact NE-OD1 3.73Å; R1652-D1689 IonicContact NE-OD2 2.74Å; R1652-D1689 PolarHBondContact NE-OD2 3.19Å; R1652-D1689 IonicContact NH2-OD1 2.66Å; R1652-D1689 PolarHBondContact NH2-OD1 3.05Å; R1652-D1689 IonicContact NH2-OD2 3.49Å; R1652-D1689 PolarHBondContact NH2-OD2 3.19Å; R1652-L1691 HydrophobicContact CB-CD2 4.09Å; R1652-L1691 HydrophobicContact CG-CD2 4.06Å |
| 1653 | M | 63 | Low | 62.9 | Low | 65 Ų | 65 | 50.6 Ų | 50.6 | 32% | 0.32 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 173.7 | -72.1 | -167.8 | -77.1 | 0 | 0 | 111.4 | E1606 V1609 E1649 T1650 K1656 A1657 | E1606-M1653 HydrophobicContact CG-CE 4.12Å; V1609-M1653 HydrophobicContact CG1-CB 3.55Å; E1649-M1653 PolarHBondContact O-N 3.2Å; T1650-M1653 HydrophobicContact CG2-CE 4.12Å; T1650-M1653 PolarHBondContact O-N 3.47Å; M1653-K1656 PolarHBondContact O-N 2.8Å; M1653-A1657 WeakPolarHBondContact O-CB 3.47Å; M1653-A1657 PolarHBondContact O-N 3.41Å |
| 1654 | L | 64.6 | Low | 62.4 | Low | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 177.2 | -159 | 163.2 | 0 | 0 | 0 | 110.9 | V1609 F1638 M1642 T1645 T1650 R1651 R1652 K1656 A1657 F1658 Y1678 | V1609-L1654 HydrophobicContact CG1-CB 4.05Å; V1609-L1654 HydrophobicContact CG2-CB 3.95Å; V1609-L1654 HydrophobicContact CG2-CD1 3.7Å; V1609-L1654 HydrophobicContact CG2-CG 3.83Å; F1638-L1654 HydrophobicContact CD1-CD2 4.01Å; F1638-L1654 HydrophobicContact CE1-CD2 4.21Å; M1642-L1654 HydrophobicContact CG-CD1 4.14Å; M1642-L1654 HydrophobicContact CG-CD2 3.98Å; M1642-L1654 HydrophobicContact SD-CD1 3.63Å; M1642-L1654 HydrophobicContact SD-CD2 3.23Å; M1642-L1654 WeakPolarHBondContact SD-CD2 2.76Å; M1642-L1654 HydrophobicContact SD-CG 4Å; T1645-L1654 HydrophobicContact CG2-CD1 4.39Å; T1650-L1654 WeakPolarHBondContact O-CB 3.03Å; T1650-L1654 PolarHBondContact O-N 2.92Å; R1651-L1654 PolarHBondContact O-N 3.3Å; R1652-L1654 VanDerWaalsContact C-N 3.35Å; L1654-K1656 PolarHBondContact O-N 2.94Å; L1654-A1657 CarbonylContact O-C 3.46Å; L1654-A1657 PolarHBondContact O-N 2.79Å; L1654-F1658 WeakPolarHBondContact O-CB 3.41Å; L1654-F1658 PolarHBondContact O-N 3.21Å; L1654-Y1678 HydrophobicContact CD2-CE2 4.29Å |
| 1655 | G | 65.8 | Low | 62.2 | Low | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62 | -39.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1651 R1652 F1658 I1659 Y1678 | R1651-G1655 PolarHBondContact O-N 3.39Å; R1652-G1655 PolarHBondContact O-N 2.95Å; G1655-F1658 PolarHBondContact O-N 2.87Å; G1655-I1659 VanDerWaalsContact O-CG1 3.29Å; G1655-I1659 WeakPolarHBondContact O-CG1 2.82Å; G1655-I1659 PolarHBondContact O-N 2.96Å; G1655-Y1678 VanDerWaalsContact CA-OH 3.3Å; G1655-Y1678 WeakPolarHBondContact CA-OH 3.3Å |
| 1656 | K | 65.2 | Low | 62.1 | Low | 126 Ų | 126 | 49.4 Ų | 49.4 | 55% | 0.548 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 171.8 | -75.4 | 178.3 | -178.9 | 176.3 | 0 | 111.8 | R1652 M1653 L1654 I1659 Q1660 | R1652-K1656 WeakPolarHBondContact O-CG 3.26Å; R1652-K1656 PolarHBondContact O-N 2.7Å; M1653-K1656 PolarHBondContact O-N 2.8Å; L1654-K1656 PolarHBondContact O-N 2.94Å; K1656-I1659 PolarHBondContact O-N 3.13Å; K1656-Q1660 WeakPolarHBondContact O-CG 3.38Å; K1656-Q1660 PolarHBondContact O-N 3.46Å |
| 1657 | A | 64.2 | Low | 61.8 | Low | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1616 M1653 L1654 Q1660 L1661 | L1616-A1657 HydrophobicContact CD1-CB 4.07Å; L1616-A1657 WeakPolarHBondContact CD1-O 3.45Å; M1653-A1657 WeakPolarHBondContact O-CB 3.47Å; M1653-A1657 PolarHBondContact O-N 3.41Å; L1654-A1657 CarbonylContact O-C 3.46Å; L1654-A1657 PolarHBondContact O-N 2.79Å; A1657-Q1660 PolarHBondContact O-N 2.83Å; A1657-L1661 WeakPolarHBondContact O-CB 3.01Å; A1657-L1661 PolarHBondContact O-N 3.21Å |
| 1658 | F | 68.5 | Low | 61.5 | Low | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 176 | -175.1 | -95.3 | 0 | 0 | 0 | 111.7 | L1654 G1655 L1661 F1662 V1670 L1674 L1675 Y1678 I1699 | L1654-F1658 WeakPolarHBondContact O-CB 3.41Å; L1654-F1658 PolarHBondContact O-N 3.21Å; G1655-F1658 PolarHBondContact O-N 2.87Å; F1658-L1661 PolarHBondContact O-N 3.32Å; F1658-F1662 VanDerWaalsContact O-CB 3.29Å; F1658-F1662 WeakPolarHBondContact O-CB 3.38Å; F1658-F1662 PolarHBondContact O-N 3.02Å; F1658-V1670 HydrophobicContact CE2-CG1 4.25Å; F1658-V1670 HydrophobicContact CZ-CG1 4.25Å; F1658-L1674 HydrophobicContact CE2-CD2 4.3Å; F1658-L1675 HydrophobicContact CE1-CD2 4.44Å; F1658-L1675 HydrophobicContact CZ-CD2 4.09Å; F1658-L1675 HydrophobicContact CZ-CG 4.14Å; F1658-Y1678 HydrophobicContact CB-CE2 4.16Å; F1658-Y1678 HydrophobicContact CD1-CD1 4.46Å; F1658-Y1678 HydrophobicContact CD1-CD2 4.48Å; F1658-Y1678 HydrophobicContact CD1-CE1 4.3Å; F1658-Y1678 HydrophobicContact CD1-CE2 4.33Å; F1658-Y1678 HydrophobicContact CD2-CD2 4.25Å; F1658-Y1678 HydrophobicContact CE1-CD1 4.31Å; F1658-Y1678 HydrophobicContact CE1-CE1 4.49Å; F1658-Y1678 HydrophobicContact CE1-CG 4.49Å; F1658-Y1678 HydrophobicContact CG-CD2 4.19Å; F1658-Y1678 HydrophobicContact CG-CE2 4.11Å; F1658-Y1678 HydrophobicContact CZ-CG 4.47Å; F1658-I1699 HydrophobicContact CE1-CD1 4.14Å |
| 1659 | I | 63.4 | Low | 61.2 | Low | 23 Ų | 23 | 45.7 Ų | 45.7 | 12% | 0.118 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 173.5 | -64.9 | 165.9 | 0 | 0 | 0 | 110.9 | G1655 K1656 F1662 C1663 T1695 K1698 | G1655-I1659 VanDerWaalsContact O-CG1 3.29Å; G1655-I1659 WeakPolarHBondContact O-CG1 2.82Å; G1655-I1659 PolarHBondContact O-N 2.96Å; K1656-I1659 PolarHBondContact O-N 3.13Å; I1659-F1662 WeakPolarHBondContact O-CB 3.28Å; I1659-F1662 PolarHBondContact O-N 3.17Å; I1659-C1663 PolarHBondContact O-N 3.43Å; I1659-C1663 PolarHBondContact O-SG 3.19Å; I1659-T1695 HydrophobicContact CD1-CG2 3.89Å; I1659-T1695 HydrophobicContact CG1-CG2 3.83Å; I1659-K1698 HydrophobicContact CG2-CD 4.33Å |
| 1660 | Q | 61.2 | Low | 61.2 | Low | 54 Ų | 54 | 38.7 Ų | 38.7 | 25% | 0.252 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62 | -43.6 | 178.3 | -76.6 | 179.3 | -33.3 | 0 | 0 | 111.5 | S1613 L1616 K1656 A1657 C1663 V1664 | S1613-Q1660 PolarHBondContact OG-OE1 3.09Å; L1616-Q1660 HydrophobicContact CB-CB 4.21Å; L1616-Q1660 HydrophobicContact CD1-CB 3.95Å; K1656-Q1660 WeakPolarHBondContact O-CG 3.38Å; K1656-Q1660 PolarHBondContact O-N 3.46Å; A1657-Q1660 PolarHBondContact O-N 2.83Å; Q1660-C1663 PolarHBondContact O-N 2.92Å; Q1660-V1664 WeakPolarHBondContact O-CB 2.97Å; Q1660-V1664 WeakPolarHBondContact O-CG2 2.77Å; Q1660-V1664 PolarHBondContact O-N 2.86Å |
| 1661 | L | 63.3 | Low | 61.4 | Low | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 174.4 | -176.8 | 68.8 | 0 | 0 | 0 | 111.5 | L1616 L1631 T1635 F1638 A1657 F1658 C1663 V1664 A1665 | L1616-L1661 HydrophobicContact CD1-CB 3.99Å; L1616-L1661 HydrophobicContact CD2-CB 4.01Å; L1616-L1661 HydrophobicContact CD2-CD1 3.79Å; L1631-L1661 HydrophobicContact CD2-CD1 4.07Å; T1635-L1661 HydrophobicContact CG2-CD1 4.22Å; T1635-L1661 HydrophobicContact CG2-CD2 3.44Å; T1635-L1661 VanDerWaalsContact CG2-CD2 3.44Å; T1635-L1661 HydrophobicContact CG2-CG 4.09Å; F1638-L1661 HydrophobicContact CD2-CD2 3.99Å; F1638-L1661 HydrophobicContact CE2-CD2 3.43Å; F1638-L1661 VanDerWaalsContact CE2-CD2 3.43Å; F1638-L1661 HydrophobicContact CZ-CD2 3.72Å; A1657-L1661 WeakPolarHBondContact O-CB 3.01Å; A1657-L1661 PolarHBondContact O-N 3.21Å; F1658-L1661 PolarHBondContact O-N 3.32Å; L1661-C1663 VanDerWaalsContact C-N 3.26Å; L1661-C1663 PolarHBondContact O-N 3.27Å; L1661-V1664 PolarHBondContact O-N 3.48Å; L1661-V1664 VanDerWaalsContact O-N 3.15Å; L1661-A1665 HydrophobicContact CD1-CB 4.24Å; L1661-A1665 WeakPolarHBondContact O-CB 3.05Å; L1661-A1665 PolarHBondContact O-N 3.04Å |
| 1662 | F | 61.6 | Low | 61.5 | Low | 11 Ų | 11 | 39.8 Ų | 39.8 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.6 | -39 | 175.6 | -166.6 | -86.1 | 0 | 0 | 0 | 111.8 | F1658 I1659 G1666 A1667 V1670 L1702 C1703 | F1658-F1662 VanDerWaalsContact O-CB 3.29Å; F1658-F1662 WeakPolarHBondContact O-CB 3.38Å; F1658-F1662 PolarHBondContact O-N 3.02Å; I1659-F1662 WeakPolarHBondContact O-CB 3.28Å; I1659-F1662 PolarHBondContact O-N 3.17Å; F1662-G1666 WeakPolarHBondContact O-CA 3.42Å; F1662-G1666 PolarHBondContact O-N 2.62Å; F1662-A1667 HydrophobicContact CE1-CB 4.39Å; F1662-A1667 HydrophobicContact CE2-CB 3.94Å; F1662-A1667 HydrophobicContact CZ-CB 3.52Å; F1662-V1670 HydrophobicContact CD2-CG2 4.34Å; F1662-L1702 HydrophobicContact CD1-CB 4.42Å; F1662-L1702 HydrophobicContact CD1-CD1 3.85Å; F1662-L1702 HydrophobicContact CE1-CB 3.8Å; F1662-L1702 HydrophobicContact CE1-CD1 4.09Å; F1662-C1703 WeakPolarHBondContact CZ-SG 3.37Å |
| 1663 | C | 59 | Low | 61.6 | Low | 80 Ų | 80 | 39.7 Ų | 39.7 | 54% | 0.541 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -72.9 | -34.9 | 174.6 | -66.9 | 0 | 0 | 0 | 0 | 113.7 | I1659 Q1660 L1661 | I1659-C1663 PolarHBondContact O-N 3.43Å; I1659-C1663 PolarHBondContact O-SG 3.19Å; Q1660-C1663 PolarHBondContact O-N 2.92Å; L1661-C1663 VanDerWaalsContact C-N 3.26Å; L1661-C1663 PolarHBondContact O-N 3.27Å |
| 1664 | V | 56.2 | Low | 61.6 | Low | 49 Ų | 49 | 37 Ų | 37 | 30% | 0.297 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -87.2 | -42.1 | -172.7 | 170.4 | 0 | 0 | 0 | 0 | 112.7 | L1616 C1620 L1631 Q1660 L1661 | L1616-V1664 HydrophobicContact CD2-CB 4.46Å; C1620-V1664 VanDerWaalsContact SG-CG2 3.53Å; L1631-V1664 HydrophobicContact CD1-CG1 4.32Å; Q1660-V1664 WeakPolarHBondContact O-CB 2.97Å; Q1660-V1664 WeakPolarHBondContact O-CG2 2.77Å; Q1660-V1664 PolarHBondContact O-N 2.86Å; L1661-V1664 PolarHBondContact O-N 3.48Å; L1661-V1664 VanDerWaalsContact O-N 3.15Å |
| 1665 | A | 58.1 | Low | 61.7 | Low | 16 Ų | 16 | 37.1 Ų | 37.1 | 13% | 0.132 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -95.3 | -9.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1661 A1669 | L1661-A1665 HydrophobicContact CD1-CB 4.24Å; L1661-A1665 WeakPolarHBondContact O-CB 3.05Å; L1661-A1665 PolarHBondContact O-N 3.04Å; A1665-A1669 HydrophobicContact CB-CB 3.88Å |
| 1666 | G | 58.6 | Low | 61.7 | Low | 30 Ų | 30 | 41.4 Ų | 41.4 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 161.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1662 Q1668 A1669 | F1662-G1666 WeakPolarHBondContact O-CA 3.42Å; F1662-G1666 PolarHBondContact O-N 2.62Å; G1666-Q1668 PolarHBondContact O-N 3.46Å; G1666-Q1668 VanDerWaalsContact O-N 3.13Å; G1666-A1669 PolarHBondContact O-N 3.05Å |
| 1667 | A | 55.6 | Low | 61.7 | Low | 22 Ų | 22 | 37.9 Ų | 37.9 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1662 K1708 | F1662-A1667 HydrophobicContact CE1-CB 4.39Å; F1662-A1667 HydrophobicContact CE2-CB 3.94Å; F1662-A1667 HydrophobicContact CZ-CB 3.52Å; A1667-K1708 PolarHBondContact O-NZ 3.21Å |
| 1668 | Q | 54.1 | Low | 61.8 | Low | 135 Ų | 135 | 38.2 Ų | 38.2 | 63% | 0.631 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -39.3 | -177.5 | -67.8 | -177.9 | 0.3 | 0 | 0 | 112.4 | G1666 V1670 K1708 | G1666-Q1668 PolarHBondContact O-N 3.46Å; G1666-Q1668 VanDerWaalsContact O-N 3.13Å; Q1668-V1670 VanDerWaalsContact C-N 3.28Å; Q1668-V1670 PolarHBondContact O-N 3.06Å; Q1668-K1708 PolarHBondContact O-NZ 3.04Å |
| 1669 | A | 55.9 | Low | 61.7 | Low | 29 Ų | 29 | 38.9 Ų | 38.9 | 24% | 0.24 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -72.4 | -16 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1665 G1666 | A1665-A1669 HydrophobicContact CB-CB 3.88Å; G1666-A1669 PolarHBondContact O-N 3.05Å |
| 1670 | V | 60.3 | Low | 61.7 | Low | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -90.9 | 121.7 | 179.9 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | F1658 F1662 Q1668 L1674 L1675 K1708 | F1658-V1670 HydrophobicContact CE2-CG1 4.25Å; F1658-V1670 HydrophobicContact CZ-CG1 4.25Å; F1662-V1670 HydrophobicContact CD2-CG2 4.34Å; Q1668-V1670 VanDerWaalsContact C-N 3.28Å; Q1668-V1670 PolarHBondContact O-N 3.06Å; V1670-L1674 HydrophobicContact CG1-CD2 4.13Å; V1670-L1675 HydrophobicContact CB-CD1 4.32Å; V1670-L1675 HydrophobicContact CG1-CD1 3.76Å; V1670-L1675 HydrophobicContact CG1-CG 3.94Å; V1670-K1708 PolarHBondContact O-NZ 2.84Å |
| 1671 | S | 64.4 | Low | 61.6 | Low | 43 Ų | 43 | 38.2 Ų | 38.2 | 30% | 0.301 | 22% | 0.221 | S | C | . | . | trans | -66 | 144.7 | 176 | 67.9 | 0 | 0 | 0 | 0 | 111.5 | D1673 L1674 L1675 | S1671-D1673 PolarHBondContact O-N 3.16Å; S1671-L1674 PolarHBondContact O-N 3.44Å; S1671-L1674 VanDerWaalsContact OG-CB 3.28Å; S1671-L1674 WeakPolarHBondContact OG-CB 3.3Å; S1671-L1674 PolarHBondContact OG-N 3.48Å; S1671-L1675 PolarHBondContact O-N 3.15Å | ||
| 1672 | N | 65.5 | Low | 61.3 | Low | 37 Ų | 37 | 38.8 Ų | 38.8 | 20% | 0.198 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -32.8 | 178.4 | -73.3 | -1.7 | 0 | 0 | 0 | 111.1 | L1675 R1676 K1708 E1711 | N1672-L1675 WeakPolarHBondContact O-CB 3.38Å; N1672-L1675 PolarHBondContact O-N 3Å; N1672-R1676 VanDerWaalsContact O-CG 3.3Å; N1672-R1676 WeakPolarHBondContact O-CG 3.4Å; N1672-R1676 PolarHBondContact O-N 3.3Å; N1672-K1708 VanDerWaalsContact OD1-CD 3.3Å; N1672-K1708 WeakPolarHBondContact OD1-CD 3.36Å; N1672-K1708 WeakPolarHBondContact OD1-CE 3.46Å; N1672-E1711 PolarHBondContact ND2-OE2 3.07Å |
| 1673 | D | 65.2 | Low | 61 | Low | 107 Ų | 107 | 41.8 Ų | 41.8 | 57% | 0.572 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -67 | -40.3 | 178 | -63.2 | -33.7 | 0 | 0 | 0 | 112.3 | S1671 L1675 R1676 H1677 | S1671-D1673 PolarHBondContact O-N 3.16Å; D1673-L1675 VanDerWaalsContact C-N 3.34Å; D1673-L1675 PolarHBondContact O-N 3.22Å; D1673-R1676 PolarHBondContact O-N 3.38Å; D1673-R1676 IonicContact OD1-NH1 2.77Å; D1673-R1676 PolarHBondContact OD1-NH1 3.42Å; D1673-H1677 VanDerWaalsContact O-CB 3.31Å; D1673-H1677 WeakPolarHBondContact O-CB 3.49Å; D1673-H1677 PolarHBondContact O-N 3.46Å |
| 1674 | L | 63.2 | Low | 60.8 | Low | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 173.9 | -176.8 | 71.1 | 0 | 0 | 0 | 111.8 | T1635 F1638 F1658 V1670 S1671 H1677 Y1678 | T1635-L1674 VanDerWaalsContact O-CD2 3.31Å; T1635-L1674 WeakPolarHBondContact O-CD2 3.24Å; F1638-L1674 HydrophobicContact CB-CD1 3.69Å; F1638-L1674 HydrophobicContact CB-CD2 3.86Å; F1638-L1674 HydrophobicContact CB-CG 4.37Å; F1658-L1674 HydrophobicContact CE2-CD2 4.3Å; V1670-L1674 HydrophobicContact CG1-CD2 4.13Å; S1671-L1674 PolarHBondContact O-N 3.44Å; S1671-L1674 VanDerWaalsContact OG-CB 3.28Å; S1671-L1674 WeakPolarHBondContact OG-CB 3.3Å; S1671-L1674 PolarHBondContact OG-N 3.48Å; L1674-H1677 PolarHBondContact O-N 3.28Å; L1674-Y1678 WeakPolarHBondContact O-CB 3.37Å; L1674-Y1678 PolarHBondContact O-N 3.31Å |
| 1675 | L | 66.7 | Low | 60.4 | Low | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.8 | -101.7 | 151.6 | 0 | 0 | 0 | 112 | F1658 V1670 S1671 N1672 D1673 Y1678 L1679 L1712 | F1658-L1675 HydrophobicContact CE1-CD2 4.44Å; F1658-L1675 HydrophobicContact CZ-CD2 4.09Å; F1658-L1675 HydrophobicContact CZ-CG 4.14Å; V1670-L1675 HydrophobicContact CB-CD1 4.32Å; V1670-L1675 HydrophobicContact CG1-CD1 3.76Å; V1670-L1675 HydrophobicContact CG1-CG 3.94Å; S1671-L1675 PolarHBondContact O-N 3.15Å; N1672-L1675 WeakPolarHBondContact O-CB 3.38Å; N1672-L1675 PolarHBondContact O-N 3Å; D1673-L1675 VanDerWaalsContact C-N 3.34Å; D1673-L1675 PolarHBondContact O-N 3.22Å; L1675-Y1678 PolarHBondContact O-N 3.3Å; L1675-L1679 WeakPolarHBondContact O-CB 3.15Å; L1675-L1679 WeakPolarHBondContact O-CG 3.37Å; L1675-L1679 PolarHBondContact O-N 2.66Å; L1675-L1712 HydrophobicContact CB-CD2 4.13Å; L1675-L1712 HydrophobicContact CD1-CD1 4.38Å; L1675-L1712 HydrophobicContact CD2-CD1 4.14Å; L1675-L1712 HydrophobicContact CD2-CD2 4.15Å |
| 1676 | R | 66.2 | Low | 60.1 | Low | 90 Ų | 90 | 45.7 Ų | 45.7 | 34% | 0.34 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.9 | -47 | 174.6 | -74 | 173.8 | -169.9 | 159.8 | -0.8 | 110.8 | N1672 D1673 L1679 S1680 E1711 Y1715 | N1672-R1676 VanDerWaalsContact O-CG 3.3Å; N1672-R1676 WeakPolarHBondContact O-CG 3.4Å; N1672-R1676 PolarHBondContact O-N 3.3Å; D1673-R1676 PolarHBondContact O-N 3.38Å; D1673-R1676 IonicContact OD1-NH1 2.77Å; D1673-R1676 PolarHBondContact OD1-NH1 3.42Å; R1676-L1679 PolarHBondContact O-N 3.05Å; R1676-S1680 PolarHBondContact O-N 2.88Å; R1676-S1680 PolarHBondContact O-OG 3.44Å; R1676-E1711 IonicContact NH2-OE2 3.34Å; R1676-E1711 PolarHBondContact NH2-OE2 3.16Å; R1676-Y1715 HydrophobicContact CG-CE2 4.02Å |
| 1677 | H | 64.3 | Low | 59.6 | Low | 52 Ų | 52 | 48.7 Ų | 48.7 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 178.4 | -164.2 | 63.9 | 0 | 0 | 0 | 112.7 | D1643 D1673 L1674 L1679 S1680 T1681 | D1643-H1677 VanDerWaalsContact CG-NE2 3.32Å; D1643-H1677 IonicContact OD1-CD2 2.97Å; D1643-H1677 IonicContact OD1-CE1 3.76Å; D1643-H1677 PolarHBondContact OD1-CE1 3.17Å; D1643-H1677 IonicContact OD1-NE2 3.99Å; D1643-H1677 PolarHBondContact OD1-NE2 3.14Å; D1643-H1677 IonicContact OD2-CE1 2.92Å; D1643-H1677 IonicContact OD2-NE2 3.33Å; D1643-H1677 PolarHBondContact OD2-NE2 3.06Å; D1673-H1677 VanDerWaalsContact O-CB 3.31Å; D1673-H1677 WeakPolarHBondContact O-CB 3.49Å; D1673-H1677 PolarHBondContact O-N 3.46Å; L1674-H1677 PolarHBondContact O-N 3.28Å; H1677-L1679 PolarHBondContact O-N 3.04Å; H1677-S1680 WeakPolarHBondContact CA-OG 3.45Å; H1677-S1680 PolarHBondContact O-N 3.18Å; H1677-S1680 PolarHBondContact O-OG 3.3Å; H1677-T1681 VanDerWaalsContact O-CB 3.32Å; H1677-T1681 WeakPolarHBondContact O-CB 3.41Å; H1677-T1681 PolarHBondContact O-N 3.36Å; H1677-T1681 PolarHBondContact O-OG1 3.06Å |
| 1678 | Y | 66.8 | Low | 59.4 | Low | 7 Ų | 7 | 52.5 Ų | 52.5 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 175.3 | 178.1 | -88.9 | 0 | 0 | 0 | 111.2 | M1642 L1654 G1655 F1658 L1674 L1675 V1682 T1695 | M1642-Y1678 HydrophobicContact CE-CD2 3.48Å; M1642-Y1678 VanDerWaalsContact CE-CD2 3.48Å; M1642-Y1678 HydrophobicContact CE-CE2 4.01Å; M1642-Y1678 HydrophobicContact CE-CG 4.14Å; M1642-Y1678 HydrophobicContact CG-CD2 4.47Å; M1642-Y1678 HydrophobicContact SD-CD2 3.74Å; M1642-Y1678 HydrophobicContact SD-CE2 4.1Å; L1654-Y1678 HydrophobicContact CD2-CE2 4.29Å; G1655-Y1678 VanDerWaalsContact CA-OH 3.3Å; G1655-Y1678 WeakPolarHBondContact CA-OH 3.3Å; F1658-Y1678 HydrophobicContact CB-CE2 4.16Å; F1658-Y1678 HydrophobicContact CD1-CD1 4.46Å; F1658-Y1678 HydrophobicContact CD1-CD2 4.48Å; F1658-Y1678 HydrophobicContact CD1-CE1 4.3Å; F1658-Y1678 HydrophobicContact CD1-CE2 4.33Å; F1658-Y1678 HydrophobicContact CD2-CD2 4.25Å; F1658-Y1678 HydrophobicContact CE1-CD1 4.31Å; F1658-Y1678 HydrophobicContact CE1-CE1 4.49Å; F1658-Y1678 HydrophobicContact CE1-CG 4.49Å; F1658-Y1678 HydrophobicContact CG-CD2 4.19Å; F1658-Y1678 HydrophobicContact CG-CE2 4.11Å; F1658-Y1678 HydrophobicContact CZ-CG 4.47Å; L1674-Y1678 WeakPolarHBondContact O-CB 3.37Å; L1674-Y1678 PolarHBondContact O-N 3.31Å; L1675-Y1678 PolarHBondContact O-N 3.3Å; Y1678-V1682 HydrophobicContact CD1-CG2 4.39Å; Y1678-V1682 HydrophobicContact CD2-CG2 4.13Å; Y1678-V1682 HydrophobicContact CE1-CG2 4.13Å; Y1678-V1682 HydrophobicContact CE2-CG2 3.85Å; Y1678-V1682 HydrophobicContact CG-CG2 4.38Å; Y1678-V1682 WeakPolarHBondContact O-CB 3.15Å; Y1678-V1682 VanDerWaalsContact O-CG2 3.26Å; Y1678-V1682 WeakPolarHBondContact O-CG2 3.31Å; Y1678-V1682 PolarHBondContact O-N 3.34Å; Y1678-V1682 VanDerWaalsContact O-N 3.08Å; Y1678-T1695 HydrophobicContact CE1-CG2 4.42Å |
| 1679 | L | 66.6 | Low | 59.3 | Low | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.2 | -37.5 | -179.9 | -72 | 173.1 | 0 | 0 | 0 | 112.2 | L1675 R1676 H1677 Y1683 L1712 | L1675-L1679 WeakPolarHBondContact O-CB 3.15Å; L1675-L1679 WeakPolarHBondContact O-CG 3.37Å; L1675-L1679 PolarHBondContact O-N 2.66Å; R1676-L1679 PolarHBondContact O-N 3.05Å; H1677-L1679 PolarHBondContact O-N 3.04Å; L1679-Y1683 WeakPolarHBondContact O-CB 3.35Å; L1679-Y1683 PolarHBondContact O-N 3.01Å; L1679-L1712 HydrophobicContact CD1-CD2 3.89Å |
| 1680 | S | 63 | Low | 59.4 | Low | 38 Ų | 38 | 53.2 Ų | 53.2 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70.9 | -45.9 | 176 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | R1676 H1677 Y1683 H1684 | R1676-S1680 PolarHBondContact O-N 2.88Å; R1676-S1680 PolarHBondContact O-OG 3.44Å; H1677-S1680 WeakPolarHBondContact CA-OG 3.45Å; H1677-S1680 PolarHBondContact O-N 3.18Å; H1677-S1680 PolarHBondContact O-OG 3.3Å; S1680-Y1683 WeakPolarHBondContact O-CB 3.45Å; S1680-Y1683 PolarHBondContact O-N 3.2Å; S1680-H1684 PolarHBondContact O-CD2 2.98Å; S1680-H1684 PolarHBondContact O-N 3.35Å |
| 1681 | T | 58.4 | Low | 59 | Low | 25 Ų | 25 | 55.4 Ų | 55.4 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.5 | -39.1 | -173.2 | -51.6 | 0 | 0 | 0 | 0 | 112.9 | M1642 H1677 Y1683 T1685 | M1642-T1681 HydrophobicContact CE-CG2 4.43Å; H1677-T1681 VanDerWaalsContact O-CB 3.32Å; H1677-T1681 WeakPolarHBondContact O-CB 3.41Å; H1677-T1681 PolarHBondContact O-N 3.36Å; H1677-T1681 PolarHBondContact O-OG1 3.06Å; T1681-Y1683 VanDerWaalsContact C-N 3.35Å; T1681-T1685 PolarHBondContact O-OG1 3.3Å |
| 1682 | V | 56.6 | Low | 58.5 | Low | 12 Ų | 12 | 54.2 Ų | 54.2 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.5 | -35.7 | 172.2 | -177 | 0 | 0 | 0 | 0 | 110.7 | M1642 Y1678 H1684 T1685 S1686 L1692 | M1642-V1682 HydrophobicContact CE-CG2 3.43Å; M1642-V1682 VanDerWaalsContact CE-CG2 3.43Å; Y1678-V1682 HydrophobicContact CD1-CG2 4.39Å; Y1678-V1682 HydrophobicContact CD2-CG2 4.13Å; Y1678-V1682 HydrophobicContact CE1-CG2 4.13Å; Y1678-V1682 HydrophobicContact CE2-CG2 3.85Å; Y1678-V1682 HydrophobicContact CG-CG2 4.38Å; Y1678-V1682 WeakPolarHBondContact O-CB 3.15Å; Y1678-V1682 VanDerWaalsContact O-CG2 3.26Å; Y1678-V1682 WeakPolarHBondContact O-CG2 3.31Å; Y1678-V1682 PolarHBondContact O-N 3.34Å; Y1678-V1682 VanDerWaalsContact O-N 3.08Å; V1682-H1684 PolarHBondContact O-N 3.37Å; V1682-T1685 PolarHBondContact O-N 2.82Å; V1682-S1686 WeakPolarHBondContact CG1-OG 3.5Å; V1682-S1686 PolarHBondContact O-N 3.29Å; V1682-S1686 VanDerWaalsContact O-N 3.15Å; V1682-S1686 PolarHBondContact O-OG 2.94Å; V1682-S1686 VanDerWaalsContact O-OG 3.12Å; V1682-L1692 HydrophobicContact CB-CD1 4.47Å; V1682-L1692 HydrophobicContact CG1-CD1 3.75Å |
| 1683 | Y | 55.5 | Low | 58.3 | Low | 74 Ų | 74 | 53.5 Ų | 53.5 | 29% | 0.29 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 176.9 | 176 | -92.8 | 0 | 0 | 0 | 112.9 | L1679 S1680 T1681 T1685 T1718 A1722 | L1679-Y1683 WeakPolarHBondContact O-CB 3.35Å; L1679-Y1683 PolarHBondContact O-N 3.01Å; S1680-Y1683 WeakPolarHBondContact O-CB 3.45Å; S1680-Y1683 PolarHBondContact O-N 3.2Å; T1681-Y1683 VanDerWaalsContact C-N 3.35Å; Y1683-T1685 VanDerWaalsContact C-N 3.26Å; Y1683-T1685 PolarHBondContact O-N 3.38Å; Y1683-T1718 HydrophobicContact CE2-CG2 4.19Å; Y1683-A1722 HydrophobicContact CE2-CB 3.63Å |
| 1684 | H | 54.5 | Low | 58.1 | Low | 144 Ų | 144 | 52.2 Ų | 52.2 | 67% | 0.667 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -70.7 | -15.9 | -178.8 | -78 | -59.6 | 0 | 0 | 0 | 114.8 | S1680 V1682 | S1680-H1684 PolarHBondContact O-CD2 2.98Å; S1680-H1684 PolarHBondContact O-N 3.35Å; V1682-H1684 PolarHBondContact O-N 3.37Å |
| 1685 | T | 49.4 | Very low | 57.7 | Low | 68 Ų | 68 | 52 Ų | 52 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -126.1 | -20.9 | -165.1 | 58 | 0 | 0 | 0 | 0 | 115.8 | R1651 T1681 V1682 Y1683 | R1651-T1685 VanDerWaalsContact NH1-CG2 3.32Å; R1651-T1685 PolarHBondContact NH1-OG1 3Å; T1681-T1685 PolarHBondContact O-OG1 3.3Å; V1682-T1685 PolarHBondContact O-N 2.82Å; Y1683-T1685 VanDerWaalsContact C-N 3.26Å; Y1683-T1685 PolarHBondContact O-N 3.38Å |
| 1686 | S | 50.9 | Low | 57.5 | Low | 15 Ų | 15 | 53 Ų | 53 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | trans | -132 | 66.1 | -178.1 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | V1682 S1688 | V1682-S1686 WeakPolarHBondContact CG1-OG 3.5Å; V1682-S1686 PolarHBondContact O-N 3.29Å; V1682-S1686 VanDerWaalsContact O-N 3.15Å; V1682-S1686 PolarHBondContact O-OG 2.94Å; V1682-S1686 VanDerWaalsContact O-OG 3.12Å; S1686-S1688 PolarHBondContact O-N 3.21Å | ||
| 1687 | L | 48.4 | Very low | 57.4 | Low | 94 Ų | 94 | 55.6 Ų | 55.6 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25.7 | 174.3 | -91.6 | 153.1 | 0 | 0 | 0 | 112.8 | A1722 H1726 | L1687-A1722 HydrophobicContact CD2-CB 4.04Å; L1687-H1726 PolarHBondContact O-CD2 2.78Å |
| 1688 | S | 52 | Low | 57.3 | Low | 102 Ų | 102 | 58.8 Ų | 58.8 | 71% | 0.713 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 0.1 | -173 | 57.8 | 0 | 0 | 0 | 0 | 115.8 | S1686 | S1686-S1688 PolarHBondContact O-N 3.21Š|
| 1689 | D | 50.6 | Low | 56.9 | Low | 26 Ų | 26 | 58.9 Ų | 58.9 | 14% | 0.139 | 30% | 0.3 | C | S | . | . | trans | -100.9 | 115.1 | -164.5 | -127 | -5.9 | 0 | 0 | 0 | 114.1 | R1652 L1691 L1692 | R1652-D1689 IonicContact CZ-OD1 2.94Å; R1652-D1689 IonicContact CZ-OD2 3.08Å; R1652-D1689 IonicContact NE-OD1 3.73Å; R1652-D1689 IonicContact NE-OD2 2.74Å; R1652-D1689 PolarHBondContact NE-OD2 3.19Å; R1652-D1689 IonicContact NH2-OD1 2.66Å; R1652-D1689 PolarHBondContact NH2-OD1 3.05Å; R1652-D1689 IonicContact NH2-OD2 3.49Å; R1652-D1689 PolarHBondContact NH2-OD2 3.19Å; D1689-L1691 PolarHBondContact O-N 3.06Å; D1689-L1692 PolarHBondContact O-N 3.38Å | ||
| 1690 | Q | 58.9 | Low | 56.6 | Low | 153 Ų | 153 | 63.7 Ų | 63.7 | 72% | 0.715 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -51.7 | -22.9 | 174.1 | -84.2 | -176.5 | -9.2 | 0 | 0 | 113.5 | L1692 V1693 N1694 | Q1690-L1692 VanDerWaalsContact C-N 3.33Å; Q1690-L1692 PolarHBondContact O-N 3.09Å; Q1690-V1693 WeakPolarHBondContact O-CB 3.49Å; Q1690-V1693 PolarHBondContact O-N 3.25Å; Q1690-N1694 PolarHBondContact O-N 3.4Å; Q1690-N1694 VanDerWaalsContact O-N 3.09Å |
| 1691 | L | 52.5 | Low | 56.6 | Low | 46 Ų | 46 | 70 Ų | 70 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.4 | -160.5 | 87.9 | 0 | 0 | 0 | 111.3 | R1652 D1689 V1693 N1694 T1695 | R1652-L1691 HydrophobicContact CB-CD2 4.09Å; R1652-L1691 HydrophobicContact CG-CD2 4.06Å; D1689-L1691 PolarHBondContact O-N 3.06Å; L1691-V1693 VanDerWaalsContact C-N 3.31Å; L1691-V1693 PolarHBondContact O-N 3.25Å; L1691-N1694 PolarHBondContact O-N 3.02Å; L1691-N1694 VanDerWaalsContact O-N 3.15Å; L1691-T1695 WeakPolarHBondContact O-CB 3.46Å; L1691-T1695 PolarHBondContact O-N 3.04Å; L1691-T1695 PolarHBondContact O-OG1 2.8Å |
| 1692 | L | 54.5 | Low | 56.4 | Low | 18 Ų | 18 | 73 Ų | 73 | 9% | 0.094 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 178.4 | -175.4 | 71.8 | 0 | 0 | 0 | 111 | V1682 D1689 Q1690 N1694 T1695 V1696 | V1682-L1692 HydrophobicContact CB-CD1 4.47Å; V1682-L1692 HydrophobicContact CG1-CD1 3.75Å; D1689-L1692 PolarHBondContact O-N 3.38Å; Q1690-L1692 VanDerWaalsContact C-N 3.33Å; Q1690-L1692 PolarHBondContact O-N 3.09Å; L1692-N1694 VanDerWaalsContact C-N 3.35Å; L1692-N1694 PolarHBondContact O-N 2.89Å; L1692-T1695 PolarHBondContact O-N 2.94Å; L1692-V1696 HydrophobicContact CG-CG2 4.49Å; L1692-V1696 WeakPolarHBondContact O-CB 3.13Å; L1692-V1696 VanDerWaalsContact O-CG2 3.28Å; L1692-V1696 WeakPolarHBondContact O-CG2 3.37Å; L1692-V1696 PolarHBondContact O-N 3.36Å |
| 1693 | V | 61.4 | Low | 56.4 | Low | 22 Ų | 22 | 72.8 Ų | 72.8 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 111 | Q1690 L1691 R1697 L1723 | Q1690-V1693 WeakPolarHBondContact O-CB 3.49Å; Q1690-V1693 PolarHBondContact O-N 3.25Å; L1691-V1693 VanDerWaalsContact C-N 3.31Å; L1691-V1693 PolarHBondContact O-N 3.25Å; V1693-R1697 WeakPolarHBondContact O-CB 3.1Å; V1693-R1697 VanDerWaalsContact O-CG 3.24Å; V1693-R1697 WeakPolarHBondContact O-CG 2.9Å; V1693-R1697 PolarHBondContact O-N 3.26Å; V1693-L1723 HydrophobicContact CG2-CD1 3.64Å; V1693-L1723 HydrophobicContact CG2-CD2 3.3Å; V1693-L1723 HydrophobicContact CG2-CG 4.11Å |
| 1694 | N | 59.3 | Low | 56.6 | Low | 80 Ų | 80 | 75.6 Ų | 75.6 | 43% | 0.428 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.9 | -38.4 | -178.5 | -73.3 | -21.3 | 0 | 0 | 0 | 112.2 | Q1690 L1691 L1692 R1697 K1698 | Q1690-N1694 PolarHBondContact O-N 3.4Å; Q1690-N1694 VanDerWaalsContact O-N 3.09Å; L1691-N1694 PolarHBondContact O-N 3.02Å; L1691-N1694 VanDerWaalsContact O-N 3.15Å; L1692-N1694 VanDerWaalsContact C-N 3.35Å; L1692-N1694 PolarHBondContact O-N 2.89Å; N1694-R1697 PolarHBondContact O-N 3.36Å; N1694-K1698 WeakPolarHBondContact O-CB 3.46Å; N1694-K1698 PolarHBondContact O-N 3.08Å |
| 1695 | T | 56.6 | Low | 56.6 | Low | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 173.9 | -55 | 0 | 0 | 0 | 0 | 110.6 | I1659 Y1678 L1691 L1692 R1697 K1698 I1699 | I1659-T1695 HydrophobicContact CD1-CG2 3.89Å; I1659-T1695 HydrophobicContact CG1-CG2 3.83Å; Y1678-T1695 HydrophobicContact CE1-CG2 4.42Å; L1691-T1695 WeakPolarHBondContact O-CB 3.46Å; L1691-T1695 PolarHBondContact O-N 3.04Å; L1691-T1695 PolarHBondContact O-OG1 2.8Å; L1692-T1695 PolarHBondContact O-N 2.94Å; T1695-R1697 VanDerWaalsContact C-N 3.35Å; T1695-R1697 PolarHBondContact O-N 2.83Å; T1695-K1698 PolarHBondContact O-N 2.9Å; T1695-I1699 HydrophobicContact CG2-CD1 3.79Å; T1695-I1699 HydrophobicContact CG2-CG1 4.45Å; T1695-I1699 WeakPolarHBondContact O-CG1 3.23Å; T1695-I1699 PolarHBondContact O-N 3.38Å |
| 1696 | V | 61.8 | Low | 56.8 | Low | 26 Ų | 26 | 73.7 Ų | 73.7 | 16% | 0.158 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 176.6 | 164.4 | 0 | 0 | 0 | 0 | 111.5 | L1692 R1700 L1716 | L1692-V1696 HydrophobicContact CG-CG2 4.49Å; L1692-V1696 WeakPolarHBondContact O-CB 3.13Å; L1692-V1696 VanDerWaalsContact O-CG2 3.28Å; L1692-V1696 WeakPolarHBondContact O-CG2 3.37Å; L1692-V1696 PolarHBondContact O-N 3.36Å; V1696-R1700 WeakPolarHBondContact O-CB 3.38Å; V1696-R1700 PolarHBondContact O-N 3.3Å; V1696-L1716 HydrophobicContact CB-CD2 4.36Å; V1696-L1716 HydrophobicContact CG1-CD2 3.63Å; V1696-L1716 HydrophobicContact CG2-CD2 4.06Å |
| 1697 | R | 63.2 | Low | 57.1 | Low | 144 Ų | 144 | 77.3 Ų | 77.3 | 54% | 0.543 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 175.5 | -78.7 | 174.3 | 179.6 | 170.9 | -3.9 | 112.3 | V1693 N1694 T1695 K1701 | V1693-R1697 WeakPolarHBondContact O-CB 3.1Å; V1693-R1697 VanDerWaalsContact O-CG 3.24Å; V1693-R1697 WeakPolarHBondContact O-CG 2.9Å; V1693-R1697 PolarHBondContact O-N 3.26Å; N1694-R1697 PolarHBondContact O-N 3.36Å; T1695-R1697 VanDerWaalsContact C-N 3.35Å; T1695-R1697 PolarHBondContact O-N 2.83Å; R1697-K1701 WeakPolarHBondContact O-CG 3.5Å; R1697-K1701 PolarHBondContact O-N 2.78Å |
| 1698 | K | 61.8 | Low | 57.4 | Low | 120 Ų | 120 | 74.9 Ų | 74.9 | 52% | 0.522 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.3 | -46.7 | 178.3 | -82 | -177 | 175.8 | -176.4 | 0 | 112.2 | I1659 N1694 T1695 R1700 K1701 L1702 | I1659-K1698 HydrophobicContact CG2-CD 4.33Å; N1694-K1698 WeakPolarHBondContact O-CB 3.46Å; N1694-K1698 PolarHBondContact O-N 3.08Å; T1695-K1698 PolarHBondContact O-N 2.9Å; K1698-R1700 VanDerWaalsContact C-N 3.31Å; K1698-R1700 PolarHBondContact O-N 3.38Å; K1698-K1701 PolarHBondContact O-N 2.89Å; K1698-L1702 WeakPolarHBondContact O-CG 3.31Å; K1698-L1702 PolarHBondContact O-N 3.1Å |
| 1699 | I | 59.1 | Low | 57.7 | Low | 9 Ų | 9 | 71.2 Ų | 71.2 | 5% | 0.046 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 175.4 | -66 | 171.6 | 0 | 0 | 0 | 109.9 | F1658 T1695 K1701 L1702 C1703 | F1658-I1699 HydrophobicContact CE1-CD1 4.14Å; T1695-I1699 HydrophobicContact CG2-CD1 3.79Å; T1695-I1699 HydrophobicContact CG2-CG1 4.45Å; T1695-I1699 WeakPolarHBondContact O-CG1 3.23Å; T1695-I1699 PolarHBondContact O-N 3.38Å; I1699-K1701 VanDerWaalsContact C-N 3.34Å; I1699-K1701 PolarHBondContact O-N 2.65Å; I1699-L1702 PolarHBondContact O-N 3.08Å; I1699-C1703 VanDerWaalsContact O-CB 3.29Å; I1699-C1703 WeakPolarHBondContact O-CB 3.38Å; I1699-C1703 PolarHBondContact O-N 3.43Å; I1699-C1703 PolarHBondContact O-SG 2.93Å |
| 1700 | R | 60.5 | Low | 58.4 | Low | 119 Ų | 119 | 74.7 Ų | 74.7 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 175.4 | -178 | 172.2 | -173.3 | -156.4 | -1.2 | 113.1 | V1696 K1698 Q1704 F1709 | V1696-R1700 WeakPolarHBondContact O-CB 3.38Å; V1696-R1700 PolarHBondContact O-N 3.3Å; K1698-R1700 VanDerWaalsContact C-N 3.31Å; K1698-R1700 PolarHBondContact O-N 3.38Å; R1700-Q1704 VanDerWaalsContact O-CG 3.26Å; R1700-Q1704 WeakPolarHBondContact O-CG 3.35Å; R1700-Q1704 PolarHBondContact O-N 2.9Å; R1700-F1709 HydrophobicContact CB-CE2 4.12Å; R1700-F1709 HydrophobicContact CB-CZ 4.25Å; R1700-F1709 HydrophobicContact CG-CE2 4.09Å; R1700-F1709 HydrophobicContact CG-CZ 3.75Å |
| 1701 | K | 62.7 | Low | 58.4 | Low | 171 Ų | 171 | 72.1 Ų | 72.1 | 74% | 0.743 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.4 | -39.7 | 174.8 | -78.7 | -170.9 | 174.8 | -164.2 | 0 | 112.1 | R1697 K1698 I1699 | R1697-K1701 WeakPolarHBondContact O-CG 3.5Å; R1697-K1701 PolarHBondContact O-N 2.78Å; K1698-K1701 PolarHBondContact O-N 2.89Å; I1699-K1701 VanDerWaalsContact C-N 3.34Å; I1699-K1701 PolarHBondContact O-N 2.65Å |
| 1702 | L | 55.2 | Low | 58.6 | Low | 88 Ų | 88 | 70.3 Ų | 70.3 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -78.4 | -33.5 | -176.8 | -68.6 | 166.1 | 0 | 0 | 0 | 113.3 | F1662 K1698 I1699 | F1662-L1702 HydrophobicContact CD1-CB 4.42Å; F1662-L1702 HydrophobicContact CD1-CD1 3.85Å; F1662-L1702 HydrophobicContact CE1-CB 3.8Å; F1662-L1702 HydrophobicContact CE1-CD1 4.09Å; K1698-L1702 WeakPolarHBondContact O-CG 3.31Å; K1698-L1702 PolarHBondContact O-N 3.1Å; I1699-L1702 PolarHBondContact O-N 3.08Å |
| 1703 | C | 56.2 | Low | 59.3 | Low | 7 Ų | 7 | 73.7 Ų | 73.7 | 5% | 0.047 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -95 | 0.9 | -175.9 | -60.2 | 0 | 0 | 0 | 0 | 114.7 | F1662 I1699 S1705 H1706 F1709 | F1662-C1703 WeakPolarHBondContact CZ-SG 3.37Å; I1699-C1703 VanDerWaalsContact O-CB 3.29Å; I1699-C1703 WeakPolarHBondContact O-CB 3.38Å; I1699-C1703 PolarHBondContact O-N 3.43Å; I1699-C1703 PolarHBondContact O-SG 2.93Å; C1703-S1705 PolarHBondContact O-N 3.3Å; C1703-H1706 PolarHBondContact O-N 3.26Å; C1703-F1709 HydrophobicContact CB-CB 4.12Å; C1703-F1709 HydrophobicContact CB-CD2 3.59Å; C1703-F1709 HydrophobicContact CB-CE2 4.44Å; C1703-F1709 HydrophobicContact CB-CG 4.21Å; C1703-F1709 WeakPolarHBondContact O-CB 3.22Å |
| 1704 | Q | 59 | Low | 59.6 | Low | 132 Ų | 132 | 76.2 Ų | 76.2 | 62% | 0.617 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -22.4 | -172.3 | -114.8 | 170.6 | -12.8 | 0 | 0 | 113.4 | R1700 | R1700-Q1704 VanDerWaalsContact O-CG 3.26Å; R1700-Q1704 WeakPolarHBondContact O-CG 3.35Å; R1700-Q1704 PolarHBondContact O-N 2.9Å |
| 1705 | S | 54.3 | Low | 59.5 | Low | 118 Ų | 118 | 76.9 Ų | 76.9 | 83% | 0.825 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -4.9 | 178 | 53.1 | 0 | 0 | 0 | 0 | 115.5 | C1703 | C1703-S1705 PolarHBondContact O-N 3.3Š|
| 1706 | H | 53.4 | Low | 59.8 | Low | 55 Ų | 55 | 77.7 Ų | 77.7 | 26% | 0.255 | 38% | 0.38 | S | S | . | . | trans | -110.5 | 133.6 | -169.6 | -156.4 | -48.9 | 0 | 0 | 0 | 112.7 | C1703 K1708 F1709 | C1703-H1706 PolarHBondContact O-N 3.26Å; H1706-K1708 PolarHBondContact ND1-N 3.03Å; H1706-K1708 PolarHBondContact O-N 3.22Å; H1706-K1708 VanDerWaalsContact O-N 3.1Å; H1706-F1709 VanDerWaalsContact O-CB 3.23Å; H1706-F1709 WeakPolarHBondContact O-CB 3.41Å; H1706-F1709 PolarHBondContact O-N 3.43Å | ||
| 1707 | S | 57.6 | Low | 60.1 | Low | 91 Ų | 91 | 84.9 Ų | 84.9 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -34.1 | 177.1 | 55 | 0 | 0 | 0 | 0 | 115.1 | F1709 D1710 | S1707-F1709 PolarHBondContact O-N 2.64Å; S1707-F1709 VanDerWaalsContact O-N 3.09Å; S1707-D1710 PolarHBondContact O-N 3.08Å |
| 1708 | K | 55.4 | Low | 60.1 | Low | 43 Ų | 43 | 81.4 Ų | 81.4 | 19% | 0.187 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.6 | -22.5 | 174.5 | -74.4 | -175.4 | 175 | -177.4 | 0 | 113 | A1667 Q1668 V1670 N1672 H1706 D1710 E1711 L1712 | A1667-K1708 PolarHBondContact O-NZ 3.21Å; Q1668-K1708 PolarHBondContact O-NZ 3.04Å; V1670-K1708 PolarHBondContact O-NZ 2.84Å; N1672-K1708 VanDerWaalsContact OD1-CD 3.3Å; N1672-K1708 WeakPolarHBondContact OD1-CD 3.36Å; N1672-K1708 WeakPolarHBondContact OD1-CE 3.46Å; H1706-K1708 PolarHBondContact ND1-N 3.03Å; H1706-K1708 PolarHBondContact O-N 3.22Å; H1706-K1708 VanDerWaalsContact O-N 3.1Å; K1708-D1710 VanDerWaalsContact C-N 3.34Å; K1708-D1710 PolarHBondContact O-N 3.13Å; K1708-E1711 PolarHBondContact O-N 3.31Å; K1708-L1712 WeakPolarHBondContact O-CG 3.39Å; K1708-L1712 PolarHBondContact O-N 3.13Å |
| 1709 | F | 58.1 | Low | 59.8 | Low | 25 Ų | 25 | 76 Ų | 76 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.6 | -31.7 | 179 | -169.7 | -100.4 | 0 | 0 | 0 | 113.1 | R1700 C1703 H1706 S1707 L1712 K1713 L1716 | R1700-F1709 HydrophobicContact CB-CE2 4.12Å; R1700-F1709 HydrophobicContact CB-CZ 4.25Å; R1700-F1709 HydrophobicContact CG-CE2 4.09Å; R1700-F1709 HydrophobicContact CG-CZ 3.75Å; C1703-F1709 HydrophobicContact CB-CB 4.12Å; C1703-F1709 HydrophobicContact CB-CD2 3.59Å; C1703-F1709 HydrophobicContact CB-CE2 4.44Å; C1703-F1709 HydrophobicContact CB-CG 4.21Å; C1703-F1709 WeakPolarHBondContact O-CB 3.22Å; H1706-F1709 VanDerWaalsContact O-CB 3.23Å; H1706-F1709 WeakPolarHBondContact O-CB 3.41Å; H1706-F1709 PolarHBondContact O-N 3.43Å; S1707-F1709 PolarHBondContact O-N 2.64Å; S1707-F1709 VanDerWaalsContact O-N 3.09Å; F1709-L1712 PolarHBondContact O-N 2.74Å; F1709-L1712 VanDerWaalsContact O-N 3.16Å; F1709-K1713 PolarHBondContact O-N 2.93Å; F1709-L1716 HydrophobicContact CD2-CD1 4.15Å; F1709-L1716 HydrophobicContact CE1-CD1 4.43Å; F1709-L1716 HydrophobicContact CE2-CD1 3.27Å; F1709-L1716 HydrophobicContact CZ-CD1 3.44Å; F1709-L1716 VanDerWaalsContact CZ-CD1 3.44Å |
| 1710 | D | 65.1 | Low | 60 | Low | 99 Ų | 99 | 81.6 Ų | 81.6 | 53% | 0.529 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.1 | -35.1 | 178.5 | -80.4 | -38.7 | 0 | 0 | 0 | 112.1 | S1707 K1708 L1712 K1713 | S1707-D1710 PolarHBondContact O-N 3.08Å; K1708-D1710 VanDerWaalsContact C-N 3.34Å; K1708-D1710 PolarHBondContact O-N 3.13Å; D1710-L1712 VanDerWaalsContact C-N 3.26Å; D1710-L1712 PolarHBondContact O-N 3.08Å; D1710-K1713 VanDerWaalsContact O-CB 3.29Å; D1710-K1713 WeakPolarHBondContact O-CB 3.47Å; D1710-K1713 PolarHBondContact O-N 3Å; D1710-K1713 IonicContact OD1-NZ 2.79Å; D1710-K1713 PolarHBondContact OD1-NZ 3.43Å |
| 1711 | E | 59.7 | Low | 60.3 | Low | 99 Ų | 99 | 83 Ų | 83 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.4 | -28.4 | 170.8 | -71.1 | -172.8 | -155.8 | 0 | 0 | 112.9 | N1672 R1676 K1708 P1714 | N1672-E1711 PolarHBondContact ND2-OE2 3.07Å; R1676-E1711 IonicContact NH2-OE2 3.34Å; R1676-E1711 PolarHBondContact NH2-OE2 3.16Å; K1708-E1711 PolarHBondContact O-N 3.31Å; E1711-P1714 WeakPolarHBondContact O-CD 2.92Å |
| 1712 | L | 56.9 | Low | 59.9 | Low | 8 Ų | 8 | 75.4 Ų | 75.4 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -85.8 | -16.9 | 179.8 | -68.2 | 168.2 | 0 | 0 | 0 | 113.3 | L1675 L1679 K1708 F1709 D1710 Y1715 L1716 | L1675-L1712 HydrophobicContact CB-CD2 4.13Å; L1675-L1712 HydrophobicContact CD1-CD1 4.38Å; L1675-L1712 HydrophobicContact CD2-CD1 4.14Å; L1675-L1712 HydrophobicContact CD2-CD2 4.15Å; L1679-L1712 HydrophobicContact CD1-CD2 3.89Å; K1708-L1712 WeakPolarHBondContact O-CG 3.39Å; K1708-L1712 PolarHBondContact O-N 3.13Å; F1709-L1712 PolarHBondContact O-N 2.74Å; F1709-L1712 VanDerWaalsContact O-N 3.16Å; D1710-L1712 VanDerWaalsContact C-N 3.26Å; D1710-L1712 PolarHBondContact O-N 3.08Å; L1712-Y1715 PolarHBondContact O-N 3.3Å; L1712-Y1715 VanDerWaalsContact O-N 3.15Å; L1712-L1716 HydrophobicContact CB-CD1 4.41Å; L1712-L1716 WeakPolarHBondContact O-CG 3.41Å; L1712-L1716 PolarHBondContact O-N 3.49Å |
| 1713 | K | 69 | Low | 59.8 | Low | 88 Ų | 88 | 73.3 Ų | 73.3 | 38% | 0.383 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -53.1 | -41.4 | -176.8 | -140.9 | 176.7 | -154.2 | 155 | 0 | 113.6 | F1709 D1710 L1716 R1717 | F1709-K1713 PolarHBondContact O-N 2.93Å; D1710-K1713 VanDerWaalsContact O-CB 3.29Å; D1710-K1713 WeakPolarHBondContact O-CB 3.47Å; D1710-K1713 PolarHBondContact O-N 3Å; D1710-K1713 IonicContact OD1-NZ 2.79Å; D1710-K1713 PolarHBondContact OD1-NZ 3.43Å; K1713-L1716 PolarHBondContact O-N 3.05Å; K1713-R1717 WeakPolarHBondContact O-CB 3.49Å; K1713-R1717 VanDerWaalsContact O-CG 3.31Å; K1713-R1717 WeakPolarHBondContact O-CG 3.37Å; K1713-R1717 PolarHBondContact O-N 3.49Å |
| 1714 | P | 67.8 | Low | 60.3 | Low | 75 Ų | 75 | 80.1 Ų | 80.1 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 176 | -21.6 | 33.5 | 0 | 0 | 0 | 112 | E1711 L1716 R1717 T1718 | E1711-P1714 WeakPolarHBondContact O-CD 2.92Å; P1714-L1716 PolarHBondContact O-N 3.31Å; P1714-R1717 WeakPolarHBondContact O-CB 3.17Å; P1714-R1717 PolarHBondContact O-N 2.96Å; P1714-R1717 VanDerWaalsContact O-N 3.13Å; P1714-T1718 PolarHBondContact O-N 2.97Å; P1714-T1718 PolarHBondContact O-OG1 3.31Å |
| 1715 | Y | 56.5 | Low | 60.5 | Low | 95 Ų | 95 | 78.4 Ų | 78.4 | 37% | 0.373 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 179.6 | -64.4 | -85.3 | 0 | 0 | 0 | 112.4 | R1676 L1712 R1717 T1718 A1719 | R1676-Y1715 HydrophobicContact CG-CE2 4.02Å; L1712-Y1715 PolarHBondContact O-N 3.3Å; L1712-Y1715 VanDerWaalsContact O-N 3.15Å; Y1715-R1717 VanDerWaalsContact C-N 3.32Å; Y1715-R1717 PolarHBondContact O-N 3.32Å; Y1715-T1718 PolarHBondContact O-N 3.45Å; Y1715-A1719 WeakPolarHBondContact O-CB 3.22Å; Y1715-A1719 PolarHBondContact O-N 2.83Å |
| 1716 | L | 62.8 | Low | 60.3 | Low | 20 Ų | 20 | 78 Ų | 78 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.6 | -36 | 174.5 | -70 | 176.9 | 0 | 0 | 0 | 112.2 | V1696 F1709 L1712 K1713 P1714 K1720 | V1696-L1716 HydrophobicContact CB-CD2 4.36Å; V1696-L1716 HydrophobicContact CG1-CD2 3.63Å; V1696-L1716 HydrophobicContact CG2-CD2 4.06Å; F1709-L1716 HydrophobicContact CD2-CD1 4.15Å; F1709-L1716 HydrophobicContact CE1-CD1 4.43Å; F1709-L1716 HydrophobicContact CE2-CD1 3.27Å; F1709-L1716 HydrophobicContact CZ-CD1 3.44Å; F1709-L1716 VanDerWaalsContact CZ-CD1 3.44Å; L1712-L1716 HydrophobicContact CB-CD1 4.41Å; L1712-L1716 WeakPolarHBondContact O-CG 3.41Å; L1712-L1716 PolarHBondContact O-N 3.49Å; K1713-L1716 PolarHBondContact O-N 3.05Å; P1714-L1716 PolarHBondContact O-N 3.31Å; L1716-K1720 WeakPolarHBondContact O-CB 3.39Å; L1716-K1720 PolarHBondContact O-N 2.83Å |
| 1717 | R | 68.7 | Low | 60.4 | Low | 177 Ų | 177 | 84.9 Ų | 84.9 | 67% | 0.668 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.9 | -44.8 | 172.9 | -76.5 | 175.3 | 179.7 | -177.7 | 0.5 | 110.9 | K1713 P1714 Y1715 K1720 Y1721 | K1713-R1717 WeakPolarHBondContact O-CB 3.49Å; K1713-R1717 VanDerWaalsContact O-CG 3.31Å; K1713-R1717 WeakPolarHBondContact O-CG 3.37Å; K1713-R1717 PolarHBondContact O-N 3.49Å; P1714-R1717 WeakPolarHBondContact O-CB 3.17Å; P1714-R1717 PolarHBondContact O-N 2.96Å; P1714-R1717 VanDerWaalsContact O-N 3.13Å; Y1715-R1717 VanDerWaalsContact C-N 3.32Å; Y1715-R1717 PolarHBondContact O-N 3.32Å; R1717-K1720 PolarHBondContact O-N 3.22Å; R1717-Y1721 WeakPolarHBondContact O-CB 3.04Å; R1717-Y1721 PolarHBondContact O-N 3.5Å |
| 1718 | T | 61.9 | Low | 60.4 | Low | 70 Ų | 70 | 90.8 Ų | 90.8 | 43% | 0.429 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 177.1 | -43.5 | 0 | 0 | 0 | 0 | 111.6 | Y1683 P1714 Y1715 K1720 Y1721 A1722 | Y1683-T1718 HydrophobicContact CE2-CG2 4.19Å; P1714-T1718 PolarHBondContact O-N 2.97Å; P1714-T1718 PolarHBondContact O-OG1 3.31Å; Y1715-T1718 PolarHBondContact O-N 3.45Å; T1718-K1720 VanDerWaalsContact C-N 3.33Å; T1718-K1720 PolarHBondContact O-N 2.99Å; T1718-Y1721 PolarHBondContact O-N 3.47Å; T1718-A1722 PolarHBondContact O-N 3.39Å |
| 1719 | A | 56.4 | Low | 60.6 | Low | 7 Ų | 7 | 93.2 Ų | 93.2 | 6% | 0.058 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1715 L1723 | Y1715-A1719 WeakPolarHBondContact O-CB 3.22Å; Y1715-A1719 PolarHBondContact O-N 2.83Å; A1719-L1723 WeakPolarHBondContact O-CB 3.38Å; A1719-L1723 PolarHBondContact O-N 2.79Å |
| 1720 | K | 63 | Low | 60.7 | Low | 126 Ų | 126 | 96.8 Ų | 96.8 | 55% | 0.548 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70 | -34.3 | 177.7 | -160.5 | -179.6 | -173.5 | -172.1 | 0 | 112.4 | L1716 R1717 T1718 K1724 | L1716-K1720 WeakPolarHBondContact O-CB 3.39Å; L1716-K1720 PolarHBondContact O-N 2.83Å; R1717-K1720 PolarHBondContact O-N 3.22Å; T1718-K1720 VanDerWaalsContact C-N 3.33Å; T1718-K1720 PolarHBondContact O-N 2.99Å; K1720-K1724 PolarHBondContact O-N 3.01Å |
| 1721 | Y | 66.6 | Low | 60.5 | Low | 150 Ų | 150 | 96.7 Ų | 96.7 | 59% | 0.588 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -67.8 | -45.9 | 175 | -174.1 | -94.2 | 0 | 0 | 0 | 111.1 | R1717 T1718 L1723 K1724 M1725 | R1717-Y1721 WeakPolarHBondContact O-CB 3.04Å; R1717-Y1721 PolarHBondContact O-N 3.5Å; T1718-Y1721 PolarHBondContact O-N 3.47Å; Y1721-L1723 PolarHBondContact O-N 3.22Å; Y1721-K1724 CarbonylContact O-C 3.54Å; Y1721-K1724 WeakPolarHBondContact O-CB 3.43Å; Y1721-K1724 PolarHBondContact O-N 3.13Å; Y1721-K1724 VanDerWaalsContact O-N 3.11Å; Y1721-M1725 HydrophobicContact CD1-CG 4.12Å; Y1721-M1725 HydrophobicContact CE1-CE 3.85Å; Y1721-M1725 HydrophobicContact CE1-CG 3.78Å; Y1721-M1725 HydrophobicContact CE2-CE 4.46Å; Y1721-M1725 PolarHBondContact O-N 2.83Å; Y1721-M1725 WeakPolarHBondContact OH-CE 3.34Å |
| 1722 | A | 54.8 | Low | 60.6 | Low | 10 Ų | 10 | 96.5 Ų | 96.5 | 8% | 0.083 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1683 L1687 T1718 K1724 M1725 H1726 | Y1683-A1722 HydrophobicContact CE2-CB 3.63Å; L1687-A1722 HydrophobicContact CD2-CB 4.04Å; T1718-A1722 PolarHBondContact O-N 3.39Å; A1722-K1724 VanDerWaalsContact C-N 3.28Å; A1722-K1724 PolarHBondContact O-N 2.87Å; A1722-M1725 PolarHBondContact O-N 3.03Å; A1722-M1725 VanDerWaalsContact O-N 3.13Å; A1722-H1726 PolarHBondContact O-N 3.16Å |
| 1723 | L | 53 | Low | 60.8 | Low | 44 Ų | 44 | 102.1 Ų | 102.1 | 23% | 0.23 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60 | -35.5 | 172.8 | -92.3 | 155.1 | 0 | 0 | 0 | 113.4 | V1693 A1719 Y1721 R1727 | V1693-L1723 HydrophobicContact CG2-CD1 3.64Å; V1693-L1723 HydrophobicContact CG2-CD2 3.3Å; V1693-L1723 HydrophobicContact CG2-CG 4.11Å; A1719-L1723 WeakPolarHBondContact O-CB 3.38Å; A1719-L1723 PolarHBondContact O-N 2.79Å; Y1721-L1723 PolarHBondContact O-N 3.22Å; L1723-R1727 WeakPolarHBondContact O-CG 2.95Å; L1723-R1727 PolarHBondContact O-N 3.02Å |
| 1724 | K | 67.3 | Low | 60.2 | Low | 150 Ų | 150 | 103 Ų | 103 | 65% | 0.652 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.7 | -40.7 | 172.8 | -96.1 | -170.6 | 172.3 | -171.4 | 0 | 111.7 | K1720 Y1721 A1722 H1726 R1727 K1728 | K1720-K1724 PolarHBondContact O-N 3.01Å; Y1721-K1724 CarbonylContact O-C 3.54Å; Y1721-K1724 WeakPolarHBondContact O-CB 3.43Å; Y1721-K1724 PolarHBondContact O-N 3.13Å; Y1721-K1724 VanDerWaalsContact O-N 3.11Å; A1722-K1724 VanDerWaalsContact C-N 3.28Å; A1722-K1724 PolarHBondContact O-N 2.87Å; K1724-H1726 VanDerWaalsContact C-N 3.35Å; K1724-R1727 PolarHBondContact O-N 2.95Å; K1724-K1728 PolarHBondContact O-N 2.86Å; K1724-K1728 VanDerWaalsContact O-N 3.15Å |
| 1725 | M | 62.3 | Low | 59.7 | Low | 97 Ų | 97 | 105 Ų | 105 | 48% | 0.478 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.5 | -29.8 | 179.1 | -82.6 | -63.7 | -168.4 | 0 | 0 | 113.3 | Y1721 A1722 | Y1721-M1725 HydrophobicContact CD1-CG 4.12Å; Y1721-M1725 HydrophobicContact CE1-CE 3.85Å; Y1721-M1725 HydrophobicContact CE1-CG 3.78Å; Y1721-M1725 HydrophobicContact CE2-CE 4.46Å; Y1721-M1725 PolarHBondContact O-N 2.83Å; Y1721-M1725 WeakPolarHBondContact OH-CE 3.34Å; A1722-M1725 PolarHBondContact O-N 3.03Å; A1722-M1725 VanDerWaalsContact O-N 3.13Å |
| 1726 | H | 49.4 | Very low | 59.9 | Low | 109 Ų | 109 | 105.8 Ų | 105.8 | 51% | 0.505 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -84.3 | -24.9 | 177.2 | -160.6 | -15.1 | 0 | 0 | 0 | 113.4 | L1687 A1722 K1724 K1728 | L1687-H1726 PolarHBondContact O-CD2 2.78Å; A1722-H1726 PolarHBondContact O-N 3.16Å; K1724-H1726 VanDerWaalsContact C-N 3.35Å; H1726-K1728 VanDerWaalsContact C-N 3.34Å; H1726-K1728 VanDerWaalsContact C-OXT 3.29Å |
| 1727 | R | 56.9 | Low | 59.7 | Low | 200 Ų | 200 | 112.9 Ų | 112.9 | 76% | 0.755 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -76.2 | -26.1 | 171.4 | -81 | -177.7 | 177 | -160.3 | -4.7 | 112.5 | L1723 K1724 | L1723-R1727 WeakPolarHBondContact O-CG 2.95Å; L1723-R1727 PolarHBondContact O-N 3.02Å; K1724-R1727 PolarHBondContact O-N 2.95Å |
| 1728 | K | 56.1 | Low | 58.9 | Low | 215 Ų | 215 | 107.1 Ų | 107.1 | 94% | 0.935 | 48% | 0.478 | S | S | * | . | trans | -75.7 | 0 | 162.1 | -75.6 | -172.7 | 171.5 | -166.8 | 0 | 108.4 | K1724 H1726 | K1724-K1728 PolarHBondContact O-N 2.86Å; K1724-K1728 VanDerWaalsContact O-N 3.15Å; H1726-K1728 VanDerWaalsContact C-N 3.34Å; H1726-K1728 VanDerWaalsContact C-OXT 3.29Å |
Retrieved 1,728 of 1,728 residues in 793.1 ms
(Link to these results)