| 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 | 59.4 | Low | 59.8 | Low | 146 Ų | 146 | 129.2 Ų | 129.2 | 72% | 0.719 | 60% | 0.601 | S | S | * | * | 0 | -52.2 | 0 | -69.3 | -161.2 | -65.8 | 0 | 0 | 112.7 | A3 R4 Y5 P12 | M1-A3 PolarHBondContact O-N 3.2Å; M1-R4 PolarHBondContact O-N 3.3Å; M1-Y5 HydrophobicContact CB-CD2 4.36Å; M1-Y5 WeakPolarHBondContact O-CD2 3.36Å; M1-Y5 PolarHBondContact O-N 3.4Å; M1-P12 HydrophobicContact CB-CG 4.34Å; M1-P12 HydrophobicContact CE-CG 4.35Å; M1-P12 HydrophobicContact SD-CB 4.13Å; M1-P12 HydrophobicContact SD-CG 4Å | |||
| 2 | G | 58.8 | Low | 60 | Low | 14 Ų | 14 | 121.3 Ų | 121.3 | 14% | 0.144 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -50.7 | -52.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R4 Y5 S6 Y37 | G2-R4 VanDerWaalsContact C-N 3.33Å; G2-R4 PolarHBondContact O-N 3.41Å; G2-Y5 PolarHBondContact O-N 3.38Å; G2-S6 WeakPolarHBondContact O-CA 3.41Å; G2-S6 WeakPolarHBondContact O-CB 3.43Å; G2-S6 PolarHBondContact O-N 3.38Å; G2-S6 PolarHBondContact O-OG 3.46Å; G2-Y37 VanDerWaalsContact CA-CG 3.42Å |
| 3 | A | 60.4 | Low | 60.7 | Low | 99 Ų | 99 | 130.4 Ų | 130.4 | 82% | 0.818 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.5 | -35.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | M1 | M1-A3 PolarHBondContact O-N 3.2Å |
| 4 | R | 62.8 | Low | 61.7 | Low | 210 Ų | 210 | 122.1 Ų | 122.1 | 79% | 0.792 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -74.6 | -30.4 | -179.6 | -74.8 | -171.4 | -178.5 | 178.9 | 0.3 | 113.2 | M1 G2 | M1-R4 PolarHBondContact O-N 3.3Å; G2-R4 VanDerWaalsContact C-N 3.33Å; G2-R4 PolarHBondContact O-N 3.41Å |
| 5 | Y | 61.8 | Low | 62.8 | Low | 92 Ų | 92 | 117.1 Ų | 117.1 | 36% | 0.361 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -116.3 | -4.6 | -173.5 | -64.3 | -84 | 0 | 0 | 0 | 114 | M1 G2 K7 K8 | M1-Y5 HydrophobicContact CB-CD2 4.36Å; M1-Y5 WeakPolarHBondContact O-CD2 3.36Å; M1-Y5 PolarHBondContact O-N 3.4Å; G2-Y5 PolarHBondContact O-N 3.38Å; Y5-K7 PolarHBondContact O-N 3.24Å; Y5-K8 HydrophobicContact CD1-CB 4.48Å; Y5-K8 HydrophobicContact CD1-CD 3.79Å; Y5-K8 HydrophobicContact CE1-CD 4.2Å; Y5-K8 PolarHBondContact O-N 3.37Å |
| 6 | S | 57.8 | Low | 63.7 | Low | 53 Ų | 53 | 119.7 Ų | 119.7 | 37% | 0.371 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | -33.2 | -177.4 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | G2 | G2-S6 WeakPolarHBondContact O-CA 3.41Å; G2-S6 WeakPolarHBondContact O-CB 3.43Å; G2-S6 PolarHBondContact O-N 3.38Å; G2-S6 PolarHBondContact O-OG 3.46Å |
| 7 | K | 61.3 | Low | 64.9 | Low | 203 Ų | 203 | 117.8 Ų | 117.8 | 88% | 0.883 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -10.4 | 176.4 | -60.5 | -173.8 | -179.7 | -176.6 | 0 | 114 | Y5 | Y5-K7 PolarHBondContact O-N 3.24Š|
| 8 | K | 59.2 | Low | 66 | Low | 124 Ų | 124 | 116.7 Ų | 116.7 | 54% | 0.539 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -89.5 | 138.2 | -178.3 | -68.2 | -168.6 | 174.8 | -172.5 | 0 | 110 | Y5 H10 | Y5-K8 HydrophobicContact CD1-CB 4.48Å; Y5-K8 HydrophobicContact CD1-CD 3.79Å; Y5-K8 HydrophobicContact CE1-CD 4.2Å; Y5-K8 PolarHBondContact O-N 3.37Å; K8-H10 PolarHBondContact O-N 3.29Å |
| 9 | R | 57.5 | Low | 67.1 | Low | 256 Ų | 256 | 111.2 Ų | 111.2 | 97% | 0.966 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -55.9 | -32.8 | 177.8 | -77.3 | -170.5 | -177.3 | -160.2 | 1.9 | 112.8 | ||
| 10 | H | 57.7 | Low | 68.1 | Low | 169 Ų | 169 | 107.4 Ų | 107.4 | 78% | 0.782 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -100.5 | 93 | 174.9 | -81.6 | 21.7 | 0 | 0 | 0 | 110.6 | K8 | K8-H10 PolarHBondContact O-N 3.29Š|
| 11 | K | 60.6 | Low | 68.9 | Low | 55 Ų | 55 | 109.2 Ų | 109.2 | 24% | 0.239 | 51% | 0.512 | C | S | . | . | trans | -72.4 | 144.3 | 167.2 | -67.1 | 178.4 | -177.9 | 179.2 | 0 | 108.8 | R13 S40 Y41 P42 | K11-R13 PolarHBondContact O-N 3.2Å; K11-S40 PolarHBondContact NZ-O 3.05Å; K11-Y41 HydrophobicContact CB-CE2 4.22Å; K11-Y41 HydrophobicContact CD-CD2 4.4Å; K11-P42 HydrophobicContact CD-CG 4.07Å | ||
| 12 | P | 63.2 | Low | 70.3 | Confident | 34 Ų | 34 | 105.7 Ų | 105.7 | 22% | 0.221 | 50% | 0.495 | C | S | . | . | trans | -54.3 | 128.9 | 175.2 | 18.9 | -30.2 | 0 | 0 | 0 | 110.2 | M1 I14 Y41 | M1-P12 HydrophobicContact CB-CG 4.34Å; M1-P12 HydrophobicContact CE-CG 4.35Å; M1-P12 HydrophobicContact SD-CB 4.13Å; M1-P12 HydrophobicContact SD-CG 4Å; P12-I14 PolarHBondContact O-N 3.49Å; P12-Y41 PolarHBondContact O-OH 2.97Å | ||
| 13 | R | 68.7 | Low | 71.7 | Confident | 240 Ų | 240 | 105 Ų | 105 | 91% | 0.906 | 49% | 0.488 | S | S | * | . | trans | -69.6 | 95.5 | 179.9 | -76 | -175.4 | 171.3 | -174.2 | -2 | 109.2 | K11 | K11-R13 PolarHBondContact O-N 3.2Š| ||
| 14 | I | 74.1 | Confident | 73.1 | Confident | 15 Ų | 15 | 103.9 Ų | 103.9 | 8% | 0.077 | 46% | 0.463 | C | S | . | . | trans | -77.3 | 122.8 | 165.7 | -59.2 | 171.1 | 0 | 0 | 0 | 106.5 | P12 Q18 I19 L22 Y37 L38 Y41 | P12-I14 PolarHBondContact O-N 3.49Å; I14-Q18 HydrophobicContact CG2-CB 4Å; I14-I19 HydrophobicContact CG2-CG1 3.75Å; I14-L22 HydrophobicContact CD1-CD1 4.14Å; I14-L22 HydrophobicContact CG1-CD1 4.3Å; I14-L22 HydrophobicContact CG2-CD1 3.46Å; I14-L22 VanDerWaalsContact CG2-CD1 3.46Å; I14-Y37 HydrophobicContact CD1-CE1 4.25Å; I14-L38 HydrophobicContact CD1-CD2 3.93Å; I14-Y41 HydrophobicContact CD1-CE2 4.43Å; I14-Y41 PolarHBondContact N-OH 3.27Å; I14-Y41 VanDerWaalsContact N-OH 3.09Å | ||
| 15 | S | 78.7 | Confident | 74.4 | Confident | 46 Ų | 46 | 95.6 Ų | 95.6 | 32% | 0.322 | 44% | 0.443 | S | S | . | . | trans | -67.1 | 147.1 | 175.5 | 74.5 | 0 | 0 | 0 | 0 | 109.5 | S17 Q18 I19 | S15-S17 PolarHBondContact O-N 3.39Å; S15-S17 VanDerWaalsContact O-N 3.13Å; S15-S17 PolarHBondContact OG-OG 3.25Å; S15-Q18 PolarHBondContact O-N 2.94Å; S15-Q18 WeakPolarHBondContact OG-CG 3.37Å; S15-Q18 PolarHBondContact OG-N 3.1Å; S15-Q18 PolarHBondContact OG-OE1 3.28Å; S15-I19 PolarHBondContact O-N 3.48Å | ||
| 16 | K | 77.8 | Confident | 75.8 | Confident | 159 Ų | 159 | 91.4 Ų | 91.4 | 69% | 0.691 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -32.7 | 176.1 | -70.6 | -174.5 | 177.1 | -175.9 | 0 | 112.2 | Q18 I19 P20 | K16-Q18 VanDerWaalsContact C-N 3.32Å; K16-Q18 PolarHBondContact O-N 3.03Å; K16-I19 PolarHBondContact O-N 3.11Å; K16-P20 WeakPolarHBondContact O-CD 3.11Å |
| 17 | S | 83.4 | Confident | 77.5 | Confident | 88 Ų | 88 | 88.9 Ų | 88.9 | 62% | 0.615 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -23.5 | 176.2 | 55.1 | 0 | 0 | 0 | 0 | 114.8 | S15 | S15-S17 PolarHBondContact O-N 3.39Å; S15-S17 VanDerWaalsContact O-N 3.13Å; S15-S17 PolarHBondContact OG-OG 3.25Å |
| 18 | Q | 85.4 | Confident | 79 | Confident | 98 Ų | 98 | 85.3 Ų | 85.3 | 46% | 0.458 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -24 | 178 | -74.7 | 167.7 | -22.1 | 0 | 0 | 113 | I14 S15 K16 W21 L22 | I14-Q18 HydrophobicContact CG2-CB 4Å; S15-Q18 PolarHBondContact O-N 2.94Å; S15-Q18 WeakPolarHBondContact OG-CG 3.37Å; S15-Q18 PolarHBondContact OG-N 3.1Å; S15-Q18 PolarHBondContact OG-OE1 3.28Å; K16-Q18 VanDerWaalsContact C-N 3.32Å; K16-Q18 PolarHBondContact O-N 3.03Å; Q18-W21 PolarHBondContact O-N 3.47Å; Q18-L22 HydrophobicContact CB-CD1 4.16Å; Q18-L22 WeakPolarHBondContact O-CG 3.44Å; Q18-L22 PolarHBondContact O-N 2.91Å |
| 19 | I | 85.7 | Confident | 80.7 | Confident | 12 Ų | 12 | 83.1 Ų | 83.1 | 6% | 0.062 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.6 | -47.5 | -174 | -63.8 | 173.1 | 0 | 0 | 0 | 112.1 | I14 S15 K16 W21 L22 L23 V45 M49 | I14-I19 HydrophobicContact CG2-CG1 3.75Å; S15-I19 PolarHBondContact O-N 3.48Å; K16-I19 PolarHBondContact O-N 3.11Å; I19-W21 PolarHBondContact O-N 2.93Å; I19-L22 PolarHBondContact O-N 3.45Å; I19-L23 VanDerWaalsContact O-CB 3.27Å; I19-L23 WeakPolarHBondContact O-CB 3.45Å; I19-L23 PolarHBondContact O-N 3.27Å; I19-V45 HydrophobicContact CD1-CG2 4.34Å; I19-V45 HydrophobicContact CG2-CB 4.37Å; I19-V45 HydrophobicContact CG2-CG1 3.72Å; I19-V45 HydrophobicContact CG2-CG2 3.85Å; I19-M49 HydrophobicContact CG2-CE 3.74Å; I19-M49 HydrophobicContact CG2-SD 4.28Å |
| 20 | P | 87 | Confident | 82.4 | Confident | 34 Ų | 34 | 74.3 Ų | 74.3 | 22% | 0.221 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.2 | -50 | 175.7 | -29.1 | 37.5 | 0 | 0 | 0 | 112.7 | K16 L22 L23 R24 M49 I51 | K16-P20 WeakPolarHBondContact O-CD 3.11Å; P20-L22 PolarHBondContact O-N 3.15Å; P20-L23 PolarHBondContact O-N 3.4Å; P20-R24 WeakPolarHBondContact O-CB 3.23Å; P20-R24 PolarHBondContact O-N 3.15Å; P20-M49 HydrophobicContact CB-SD 4.28Å; P20-M49 HydrophobicContact CG-SD 3.98Å; P20-I51 HydrophobicContact CB-CB 4.47Å; P20-I51 HydrophobicContact CB-CD1 4.47Å; P20-I51 HydrophobicContact CB-CG1 3.97Å; P20-I51 HydrophobicContact CB-CG2 3.89Å; P20-I51 VanDerWaalsContact O-CD1 3.3Å; P20-I51 WeakPolarHBondContact O-CD1 3.49Å |
| 21 | W | 86.4 | Confident | 84.1 | Confident | 147 Ų | 147 | 69.7 Ų | 69.7 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | -178 | -61 | 106.1 | 0 | 0 | 0 | 112.9 | Q18 I19 G25 D52 | Q18-W21 PolarHBondContact O-N 3.47Å; I19-W21 PolarHBondContact O-N 2.93Å; W21-G25 PolarHBondContact O-N 3.02Å; W21-D52 WeakPolarHBondContact CH2-OD2 3.36Å; W21-D52 VanDerWaalsContact CZ3-OD2 3.3Å; W21-D52 WeakPolarHBondContact CZ3-OD2 3.38Å |
| 22 | L | 88.1 | Confident | 85.6 | Confident | 72 Ų | 72 | 68.9 Ų | 68.9 | 38% | 0.377 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 175.4 | -72.2 | 172.1 | 0 | 0 | 0 | 111.9 | I14 Q18 I19 P20 G25 A26 L38 | I14-L22 HydrophobicContact CD1-CD1 4.14Å; I14-L22 HydrophobicContact CG1-CD1 4.3Å; I14-L22 HydrophobicContact CG2-CD1 3.46Å; I14-L22 VanDerWaalsContact CG2-CD1 3.46Å; Q18-L22 HydrophobicContact CB-CD1 4.16Å; Q18-L22 WeakPolarHBondContact O-CG 3.44Å; Q18-L22 PolarHBondContact O-N 2.91Å; I19-L22 PolarHBondContact O-N 3.45Å; P20-L22 PolarHBondContact O-N 3.15Å; L22-G25 PolarHBondContact O-N 3.41Å; L22-A26 VanDerWaalsContact O-CB 3.23Å; L22-A26 WeakPolarHBondContact O-CB 3.36Å; L22-A26 PolarHBondContact O-N 3.31Å; L22-L38 HydrophobicContact CB-CD1 4.25Å; L22-L38 HydrophobicContact CB-CD2 4.39Å |
| 23 | L | 88.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64 | -48.8 | 176.5 | -175.9 | 57 | 0 | 0 | 0 | 110.4 | I19 P20 G25 A26 I27 L35 L38 F39 V45 M49 I51 P56 | I19-L23 VanDerWaalsContact O-CB 3.27Å; I19-L23 WeakPolarHBondContact O-CB 3.45Å; I19-L23 PolarHBondContact O-N 3.27Å; P20-L23 PolarHBondContact O-N 3.4Å; L23-G25 PolarHBondContact O-N 3.33Å; L23-A26 PolarHBondContact O-N 2.74Å; L23-I27 HydrophobicContact CD1-CD1 4.22Å; L23-I27 HydrophobicContact CG-CD1 4.23Å; L23-I27 WeakPolarHBondContact O-CG1 3.38Å; L23-I27 PolarHBondContact O-N 3.19Å; L23-L35 HydrophobicContact CD1-CD1 3.23Å; L23-L38 HydrophobicContact CB-CD1 4.37Å; L23-L38 HydrophobicContact CD1-CD1 4.32Å; L23-F39 HydrophobicContact CD1-CE2 4.32Å; L23-F39 HydrophobicContact CD1-CZ 4.07Å; L23-V45 HydrophobicContact CD2-CG1 4.33Å; L23-M49 HydrophobicContact CD2-CE 4.24Å; L23-M49 HydrophobicContact CD2-CG 4.02Å; L23-M49 HydrophobicContact CD2-SD 3.91Å; L23-I51 HydrophobicContact CB-CD1 4.12Å; L23-I51 HydrophobicContact CD2-CD1 4.17Å; L23-I51 HydrophobicContact CG-CD1 4.19Å; L23-P56 HydrophobicContact CD2-CB 4.06Å; L23-P56 HydrophobicContact CD2-CG 3.42Å; L23-P56 VanDerWaalsContact CD2-CG 3.42Å; L23-P56 HydrophobicContact CG-CB 4.3Å; L23-P56 HydrophobicContact CG-CG 4.01Å |
| 24 | R | 89.3 | Confident | 87.6 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 28% | 0.279 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 174.6 | -168.7 | 170.9 | -171.8 | -91.7 | 3 | 111.8 | P20 I27 R28 I51 L59 | P20-R24 WeakPolarHBondContact O-CB 3.23Å; P20-R24 PolarHBondContact O-N 3.15Å; R24-I27 PolarHBondContact O-N 2.81Å; R24-R28 WeakPolarHBondContact O-CG 3.31Å; R24-R28 PolarHBondContact O-N 2.75Å; R24-I51 HydrophobicContact CB-CD1 4.09Å; R24-I51 HydrophobicContact CB-CG2 4.19Å; R24-L59 HydrophobicContact CG-CD2 3.93Å |
| 25 | G | 90.6 | Very high | 88.3 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 37% | 0.371 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W21 L22 L23 I27 R28 S29 | W21-G25 PolarHBondContact O-N 3.02Å; L22-G25 PolarHBondContact O-N 3.41Å; L23-G25 PolarHBondContact O-N 3.33Å; G25-I27 VanDerWaalsContact C-N 3.34Å; G25-I27 PolarHBondContact O-N 3.02Å; G25-R28 PolarHBondContact O-N 3.33Å; G25-S29 WeakPolarHBondContact O-CB 3.29Å; G25-S29 PolarHBondContact O-N 3.49Å; G25-S29 PolarHBondContact O-OG 3.19Å |
| 26 | A | 91.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 3% | 0.033 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L22 L23 S29 N30 N31 T34 L38 M68 | L22-A26 VanDerWaalsContact O-CB 3.23Å; L22-A26 WeakPolarHBondContact O-CB 3.36Å; L22-A26 PolarHBondContact O-N 3.31Å; L23-A26 PolarHBondContact O-N 2.74Å; A26-S29 PolarHBondContact O-OG 3.09Å; A26-N30 PolarHBondContact O-N 2.7Å; A26-N31 PolarHBondContact O-N 3.46Å; A26-T34 HydrophobicContact CB-CG2 3.93Å; A26-L38 HydrophobicContact CB-CD1 4.39Å; A26-M68 WeakPolarHBondContact O-CE 3.18Å |
| 27 | I | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.8 | -50.4 | 177.7 | -66.3 | 165 | 0 | 0 | 0 | 111.2 | L23 R24 G25 S29 N30 L35 P56 L59 A60 L63 Y65 M68 L72 | L23-I27 HydrophobicContact CD1-CD1 4.22Å; L23-I27 HydrophobicContact CG-CD1 4.23Å; L23-I27 WeakPolarHBondContact O-CG1 3.38Å; L23-I27 PolarHBondContact O-N 3.19Å; R24-I27 PolarHBondContact O-N 2.81Å; G25-I27 VanDerWaalsContact C-N 3.34Å; G25-I27 PolarHBondContact O-N 3.02Å; I27-S29 PolarHBondContact O-N 3.05Å; I27-N30 PolarHBondContact O-N 2.92Å; I27-L35 HydrophobicContact CG1-CD1 4.17Å; I27-P56 HydrophobicContact CD1-CB 3.57Å; I27-L59 HydrophobicContact CB-CD2 4.17Å; I27-L59 HydrophobicContact CG2-CB 4.28Å; I27-L59 HydrophobicContact CG2-CD2 3.82Å; I27-L59 HydrophobicContact CG2-CG 3.75Å; I27-A60 HydrophobicContact CG2-CB 4.13Å; I27-L63 HydrophobicContact CG2-CD1 4.09Å; I27-Y65 WeakPolarHBondContact O-CD2 3.42Å; I27-Y65 WeakPolarHBondContact O-CE2 3.23Å; I27-M68 HydrophobicContact CB-CE 4.3Å; I27-M68 HydrophobicContact CB-SD 4.42Å; I27-M68 HydrophobicContact CG1-CE 3.89Å; I27-M68 HydrophobicContact CG1-SD 4.39Å; I27-M68 HydrophobicContact CG2-SD 4.4Å; I27-L72 HydrophobicContact CD1-CD1 4.3Å |
| 28 | R | 93.1 | Very high | 89.1 | Confident | 129 Ų | 129 | 51.6 Ų | 51.6 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -28.5 | -179.8 | -68.3 | -169.4 | 79.9 | 83.7 | 1.9 | 113.8 | R24 G25 N30 L59 L63 | R24-R28 WeakPolarHBondContact O-CG 3.31Å; R24-R28 PolarHBondContact O-N 2.75Å; G25-R28 PolarHBondContact O-N 3.33Å; R28-N30 VanDerWaalsContact C-N 3.35Å; R28-L59 HydrophobicContact CG-CD2 4.14Å; R28-L63 HydrophobicContact CG-CD1 4.47Å |
| 29 | S | 94.2 | Very high | 89 | Confident | 77 Ų | 77 | 49 Ų | 49 | 54% | 0.538 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 3.5 | 176.1 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | G25 A26 I27 N31 | G25-S29 WeakPolarHBondContact O-CB 3.29Å; G25-S29 PolarHBondContact O-N 3.49Å; G25-S29 PolarHBondContact O-OG 3.19Å; A26-S29 PolarHBondContact O-OG 3.09Å; I27-S29 PolarHBondContact O-N 3.05Å; S29-N31 PolarHBondContact O-N 3.11Å; S29-N31 VanDerWaalsContact O-N 3.16Å; S29-N31 WeakPolarHBondContact OG-CB 3.36Å |
| 30 | N | 93.8 | Very high | 88.8 | Confident | 72 Ų | 72 | 51.4 Ų | 51.4 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 33.6 | -173.6 | -165 | 20.3 | 0 | 0 | 0 | 113.2 | A26 I27 R28 V32 Y65 | A26-N30 PolarHBondContact O-N 2.7Å; I27-N30 PolarHBondContact O-N 2.92Å; R28-N30 VanDerWaalsContact C-N 3.35Å; N30-V32 PolarHBondContact O-N 3.4Å; N30-V32 VanDerWaalsContact O-N 3.07Å; N30-Y65 HydrophobicContact CB-CD1 4.41Å; N30-Y65 HydrophobicContact CB-CD2 4.01Å; N30-Y65 HydrophobicContact CB-CE1 4.11Å; N30-Y65 HydrophobicContact CB-CE2 3.67Å; N30-Y65 HydrophobicContact CB-CG 4.38Å |
| 31 | N | 93.2 | Very high | 88.2 | Confident | 72 Ų | 72 | 50.6 Ų | 50.6 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | trans | -87.8 | 80.9 | -175 | -166.8 | -36.7 | 0 | 0 | 0 | 110.6 | A26 S29 G33 T34 L35 | A26-N31 PolarHBondContact O-N 3.46Å; S29-N31 PolarHBondContact O-N 3.11Å; S29-N31 VanDerWaalsContact O-N 3.16Å; S29-N31 WeakPolarHBondContact OG-CB 3.36Å; N31-G33 VanDerWaalsContact C-N 3.28Å; N31-G33 PolarHBondContact O-N 3.25Å; N31-T34 PolarHBondContact ND2-OG1 3.35Å; N31-T34 VanDerWaalsContact ND2-OG1 3.16Å; N31-T34 PolarHBondContact O-N 3.46Å; N31-T34 VanDerWaalsContact O-N 3.16Å; N31-T34 WeakPolarHBondContact OD1-CB 3.49Å; N31-T34 PolarHBondContact OD1-N 2.99Å; N31-T34 PolarHBondContact OD1-OG1 2.78Å; N31-L35 PolarHBondContact O-N 2.77Å | ||
| 32 | V | 91.5 | Very high | 87.3 | Confident | 38 Ų | 38 | 48.1 Ų | 48.1 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -53.6 | -42.5 | -179.4 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | N30 T34 L35 Q36 Q67 M68 I71 | N30-V32 PolarHBondContact O-N 3.4Å; N30-V32 VanDerWaalsContact O-N 3.07Å; V32-T34 PolarHBondContact O-N 2.86Å; V32-L35 WeakPolarHBondContact O-CB 3.49Å; V32-L35 PolarHBondContact O-N 2.99Å; V32-Q36 HydrophobicContact CG1-CG 4.47Å; V32-Q36 WeakPolarHBondContact O-CG 3.36Å; V32-Q36 PolarHBondContact O-N 3.45Å; V32-Q67 HydrophobicContact CG1-CG 4.25Å; V32-Q67 HydrophobicContact CG2-CG 4.27Å; V32-M68 HydrophobicContact CG2-CG 4.2Å; V32-I71 HydrophobicContact CG1-CD1 3.49Å; V32-I71 VanDerWaalsContact CG1-CD1 3.49Å |
| 33 | G | 87 | Confident | 86.2 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 45% | 0.454 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N31 Y37 | N31-G33 VanDerWaalsContact C-N 3.28Å; N31-G33 PolarHBondContact O-N 3.25Å; G33-Y37 WeakPolarHBondContact O-CB 3.04Å; G33-Y37 PolarHBondContact O-N 3.37Å |
| 34 | T | 86.7 | Confident | 85.6 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 32% | 0.319 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 174.6 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | A26 N31 V32 Y37 L38 | A26-T34 HydrophobicContact CB-CG2 3.93Å; N31-T34 PolarHBondContact ND2-OG1 3.35Å; N31-T34 VanDerWaalsContact ND2-OG1 3.16Å; N31-T34 PolarHBondContact O-N 3.46Å; N31-T34 VanDerWaalsContact O-N 3.16Å; N31-T34 WeakPolarHBondContact OD1-CB 3.49Å; N31-T34 PolarHBondContact OD1-N 2.99Å; N31-T34 PolarHBondContact OD1-OG1 2.78Å; V32-T34 PolarHBondContact O-N 2.86Å; T34-Y37 PolarHBondContact O-N 2.88Å; T34-L38 HydrophobicContact CG2-CD1 4.36Å; T34-L38 WeakPolarHBondContact O-CG 3.43Å; T34-L38 PolarHBondContact O-N 2.94Å |
| 35 | L | 88.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 175.8 | -172.4 | 71.3 | 0 | 0 | 0 | 111.8 | L23 I27 N31 V32 Y37 L38 F39 M68 I71 L72 | L23-L35 HydrophobicContact CD1-CD1 3.23Å; I27-L35 HydrophobicContact CG1-CD1 4.17Å; N31-L35 PolarHBondContact O-N 2.77Å; V32-L35 WeakPolarHBondContact O-CB 3.49Å; V32-L35 PolarHBondContact O-N 2.99Å; L35-Y37 VanDerWaalsContact C-N 3.3Å; L35-Y37 PolarHBondContact O-N 3.16Å; L35-L38 PolarHBondContact O-N 3.16Å; L35-F39 HydrophobicContact CD1-CD2 4.24Å; L35-F39 HydrophobicContact CD1-CE2 3.57Å; L35-F39 HydrophobicContact CD1-CZ 4.36Å; L35-F39 HydrophobicContact CD2-CE2 4.35Å; L35-F39 HydrophobicContact CG-CD2 4.04Å; L35-F39 HydrophobicContact CG-CE2 3.75Å; L35-F39 WeakPolarHBondContact O-CD2 3.33Å; L35-F39 PolarHBondContact O-N 3.16Å; L35-F39 VanDerWaalsContact O-N 3.09Å; L35-M68 HydrophobicContact CB-CE 3.77Å; L35-M68 HydrophobicContact CD1-CE 4.27Å; L35-M68 HydrophobicContact CD2-CB 4.02Å; L35-M68 HydrophobicContact CD2-CE 3.56Å; L35-M68 HydrophobicContact CD2-CG 4.22Å; L35-M68 HydrophobicContact CG-CE 4.06Å; L35-I71 HydrophobicContact CD2-CB 4.02Å; L35-I71 HydrophobicContact CD2-CD1 4.44Å; L35-I71 HydrophobicContact CD2-CG2 3.76Å; L35-I71 HydrophobicContact CG-CG2 4.15Å; L35-L72 HydrophobicContact CD2-CG 4.37Å |
| 36 | Q | 88 | Confident | 85.1 | Confident | 100 Ų | 100 | 51.1 Ų | 51.1 | 47% | 0.467 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 176.5 | -71.9 | 175.9 | -18.8 | 0 | 0 | 112 | V32 F39 S40 I71 | V32-Q36 HydrophobicContact CG1-CG 4.47Å; V32-Q36 WeakPolarHBondContact O-CG 3.36Å; V32-Q36 PolarHBondContact O-N 3.45Å; Q36-F39 PolarHBondContact O-N 2.88Å; Q36-S40 WeakPolarHBondContact O-CB 3.39Å; Q36-S40 PolarHBondContact O-N 3.07Å; Q36-S40 PolarHBondContact O-OG 3.3Å; Q36-I71 HydrophobicContact CG-CD1 3.83Å; Q36-I71 HydrophobicContact CG-CG1 4.44Å; Q36-I71 HydrophobicContact CG-CG2 4.38Å |
| 37 | Y | 83.7 | Confident | 84.8 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 8% | 0.078 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.3 | 176.9 | -105.7 | 0 | 0 | 0 | 112 | G2 I14 G33 T34 L35 F39 S40 Y41 | G2-Y37 VanDerWaalsContact CA-CG 3.42Å; I14-Y37 HydrophobicContact CD1-CE1 4.25Å; G33-Y37 WeakPolarHBondContact O-CB 3.04Å; G33-Y37 PolarHBondContact O-N 3.37Å; T34-Y37 PolarHBondContact O-N 2.88Å; L35-Y37 VanDerWaalsContact C-N 3.3Å; L35-Y37 PolarHBondContact O-N 3.16Å; Y37-F39 PolarHBondContact O-N 3.48Å; Y37-S40 WeakPolarHBondContact CA-OG 3.31Å; Y37-S40 CarbonylContact O-C 3.54Å; Y37-S40 PolarHBondContact O-N 3.29Å; Y37-S40 PolarHBondContact O-OG 2.97Å; Y37-Y41 PolarHBondContact O-N 2.96Å |
| 38 | L | 85.1 | Confident | 84.5 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 176.7 | -71.4 | 171.2 | 0 | 0 | 0 | 111.5 | I14 L22 L23 A26 T34 L35 S40 Y41 V45 | I14-L38 HydrophobicContact CD1-CD2 3.93Å; L22-L38 HydrophobicContact CB-CD1 4.25Å; L22-L38 HydrophobicContact CB-CD2 4.39Å; L23-L38 HydrophobicContact CB-CD1 4.37Å; L23-L38 HydrophobicContact CD1-CD1 4.32Å; A26-L38 HydrophobicContact CB-CD1 4.39Å; T34-L38 HydrophobicContact CG2-CD1 4.36Å; T34-L38 WeakPolarHBondContact O-CG 3.43Å; T34-L38 PolarHBondContact O-N 2.94Å; L35-L38 PolarHBondContact O-N 3.16Å; L38-S40 VanDerWaalsContact C-N 3.32Å; L38-S40 PolarHBondContact O-N 3.04Å; L38-Y41 WeakPolarHBondContact O-CB 3.37Å; L38-Y41 PolarHBondContact O-N 3.3Å; L38-Y41 VanDerWaalsContact O-N 3.11Å; L38-V45 WeakPolarHBondContact O-CG2 3.13Å |
| 39 | F | 85 | Confident | 84.2 | Confident | 44 Ų | 44 | 47.9 Ų | 47.9 | 19% | 0.193 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.4 | -21.7 | 176.4 | -69.9 | -57.5 | 0 | 0 | 0 | 114.3 | L23 L35 Q36 Y37 Y41 V45 P47 I71 L72 A75 | L23-F39 HydrophobicContact CD1-CE2 4.32Å; L23-F39 HydrophobicContact CD1-CZ 4.07Å; L35-F39 HydrophobicContact CD1-CD2 4.24Å; L35-F39 HydrophobicContact CD1-CE2 3.57Å; L35-F39 HydrophobicContact CD1-CZ 4.36Å; L35-F39 HydrophobicContact CD2-CE2 4.35Å; L35-F39 HydrophobicContact CG-CD2 4.04Å; L35-F39 HydrophobicContact CG-CE2 3.75Å; L35-F39 WeakPolarHBondContact O-CD2 3.33Å; L35-F39 PolarHBondContact O-N 3.16Å; L35-F39 VanDerWaalsContact O-N 3.09Å; Q36-F39 PolarHBondContact O-N 2.88Å; Y37-F39 PolarHBondContact O-N 3.48Å; F39-Y41 PolarHBondContact O-N 3.21Å; F39-V45 HydrophobicContact CD1-CB 4.08Å; F39-V45 HydrophobicContact CD1-CG1 4.13Å; F39-V45 HydrophobicContact CE1-CB 4.22Å; F39-V45 HydrophobicContact CE1-CG1 3.8Å; F39-P47 HydrophobicContact CE1-CB 3.59Å; F39-P47 HydrophobicContact CZ-CB 3.83Å; F39-I71 HydrophobicContact CD2-CG2 4Å; F39-I71 HydrophobicContact CE2-CG2 4.38Å; F39-L72 HydrophobicContact CE2-CD2 3.59Å; F39-L72 HydrophobicContact CE2-CG 4.44Å; F39-L72 HydrophobicContact CZ-CD2 3.45Å; F39-L72 VanDerWaalsContact CZ-CD2 3.45Å; F39-A75 HydrophobicContact CB-CB 4.44Å; F39-A75 HydrophobicContact CD1-CB 3.77Å; F39-A75 HydrophobicContact CD2-CB 4.05Å; F39-A75 HydrophobicContact CE1-CB 4.02Å; F39-A75 HydrophobicContact CE2-CB 4.25Å; F39-A75 HydrophobicContact CG-CB 3.82Å; F39-A75 HydrophobicContact CZ-CB 4.26Å |
| 40 | S | 80.8 | Confident | 83.6 | Confident | 61 Ų | 61 | 48.3 Ų | 48.3 | 43% | 0.427 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 1.8 | 169.8 | 78.9 | 0 | 0 | 0 | 0 | 113.9 | K11 Q36 Y37 L38 | K11-S40 PolarHBondContact NZ-O 3.05Å; Q36-S40 WeakPolarHBondContact O-CB 3.39Å; Q36-S40 PolarHBondContact O-N 3.07Å; Q36-S40 PolarHBondContact O-OG 3.3Å; Y37-S40 WeakPolarHBondContact CA-OG 3.31Å; Y37-S40 CarbonylContact O-C 3.54Å; Y37-S40 PolarHBondContact O-N 3.29Å; Y37-S40 PolarHBondContact O-OG 2.97Å; L38-S40 VanDerWaalsContact C-N 3.32Å; L38-S40 PolarHBondContact O-N 3.04Å |
| 41 | Y | 73.7 | Confident | 83.1 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 7% | 0.071 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -78 | 136.9 | -175.2 | -166.4 | -108.2 | 0 | 0 | 0 | 110.8 | K11 P12 I14 Y37 L38 F39 N43 G44 | K11-Y41 HydrophobicContact CB-CE2 4.22Å; K11-Y41 HydrophobicContact CD-CD2 4.4Å; P12-Y41 PolarHBondContact O-OH 2.97Å; I14-Y41 HydrophobicContact CD1-CE2 4.43Å; I14-Y41 PolarHBondContact N-OH 3.27Å; I14-Y41 VanDerWaalsContact N-OH 3.09Å; Y37-Y41 PolarHBondContact O-N 2.96Å; L38-Y41 WeakPolarHBondContact O-CB 3.37Å; L38-Y41 PolarHBondContact O-N 3.3Å; L38-Y41 VanDerWaalsContact O-N 3.11Å; F39-Y41 PolarHBondContact O-N 3.21Å; Y41-N43 HydrophobicContact CD1-CB 3.85Å; Y41-N43 HydrophobicContact CE1-CB 3.79Å; Y41-N43 WeakPolarHBondContact CE1-ND2 3.33Å; Y41-N43 PolarHBondContact O-N 2.94Å; Y41-N43 VanDerWaalsContact O-N 3.11Å; Y41-G44 PolarHBondContact O-N 3.4Å |
| 42 | P | 67 | Low | 82.4 | Confident | 94 Ų | 94 | 47 Ų | 47 | 61% | 0.61 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.5 | -169 | -21.3 | 32.4 | 0 | 0 | 0 | 115 | K11 G44 | K11-P42 HydrophobicContact CD-CG 4.07Å; P42-G44 PolarHBondContact O-N 2.96Å |
| 43 | N | 66.5 | Low | 81.7 | Confident | 87 Ų | 87 | 47.4 Ų | 47.4 | 47% | 0.465 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 4.4 | -172 | -68.2 | -3.8 | 0 | 0 | 0 | 114.2 | Y41 | Y41-N43 HydrophobicContact CD1-CB 3.85Å; Y41-N43 HydrophobicContact CE1-CB 3.79Å; Y41-N43 WeakPolarHBondContact CE1-ND2 3.33Å; Y41-N43 PolarHBondContact O-N 2.94Å; Y41-N43 VanDerWaalsContact O-N 3.11Å |
| 44 | G | 74.9 | Confident | 81.4 | Confident | 61 Ų | 61 | 47.7 Ų | 47.7 | 63% | 0.629 | 29% | 0.292 | S | S | * | . | trans | 66.5 | 91.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y41 P42 D46 | Y41-G44 PolarHBondContact O-N 3.4Å; P42-G44 PolarHBondContact O-N 2.96Å; G44-D46 PolarHBondContact O-N 3.39Å | ||
| 45 | V | 84.1 | Confident | 81.5 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 7% | 0.073 | 28% | 0.277 | C | S | . | . | trans | -81.5 | 111.8 | 171.6 | 177.4 | 0 | 0 | 0 | 0 | 107.4 | I19 L23 L38 F39 P47 M49 | I19-V45 HydrophobicContact CD1-CG2 4.34Å; I19-V45 HydrophobicContact CG2-CB 4.37Å; I19-V45 HydrophobicContact CG2-CG1 3.72Å; I19-V45 HydrophobicContact CG2-CG2 3.85Å; L23-V45 HydrophobicContact CD2-CG1 4.33Å; L38-V45 WeakPolarHBondContact O-CG2 3.13Å; F39-V45 HydrophobicContact CD1-CB 4.08Å; F39-V45 HydrophobicContact CD1-CG1 4.13Å; F39-V45 HydrophobicContact CE1-CB 4.22Å; F39-V45 HydrophobicContact CE1-CG1 3.8Å; V45-P47 VanDerWaalsContact O-CD 3.25Å; V45-P47 WeakPolarHBondContact O-CD 3.49Å; V45-M49 HydrophobicContact CG1-CE 3.58Å | ||
| 46 | D | 85.4 | Confident | 81.5 | Confident | 85 Ų | 85 | 45.3 Ų | 45.3 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | trans | -65.2 | 113.4 | 174.1 | 176.6 | 11.5 | 0 | 0 | 0 | 110 | G44 S48 M49 | G44-D46 PolarHBondContact O-N 3.39Å; D46-S48 PolarHBondContact O-N 3.09Å; D46-S48 WeakPolarHBondContact OD1-CB 3.4Å; D46-S48 PolarHBondContact OD1-N 3.22Å; D46-M49 HydrophobicContact CB-CB 4.34Å; D46-M49 HydrophobicContact CB-CE 4.31Å; D46-M49 WeakPolarHBondContact O-CE 3.37Å; D46-M49 WeakPolarHBondContact O-CG 3.35Å; D46-M49 PolarHBondContact O-N 3.11Å | ||
| 47 | P | 86.8 | Confident | 81.7 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.071 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -19.2 | 179.1 | 31.7 | -39.5 | 0 | 0 | 0 | 113.6 | F39 V45 A75 A77 | F39-P47 HydrophobicContact CE1-CB 3.59Å; F39-P47 HydrophobicContact CZ-CB 3.83Å; V45-P47 VanDerWaalsContact O-CD 3.25Å; V45-P47 WeakPolarHBondContact O-CD 3.49Å; P47-A75 HydrophobicContact CB-CB 4.07Å; P47-A75 HydrophobicContact CG-CB 4.39Å; P47-A75 WeakPolarHBondContact CG-O 3.5Å; P47-A77 HydrophobicContact CB-CB 3.93Å; P47-A77 HydrophobicContact CG-CB 4.4Å; P47-A77 VanDerWaalsContact CG-N 3.31Å |
| 48 | S | 86.2 | Confident | 82 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.1 | -178.7 | -54.3 | 0 | 0 | 0 | 0 | 113 | D46 D78 | D46-S48 PolarHBondContact O-N 3.09Å; D46-S48 WeakPolarHBondContact OD1-CB 3.4Å; D46-S48 PolarHBondContact OD1-N 3.22Å; S48-D78 PolarHBondContact OG-N 3.45Å |
| 49 | M | 85.9 | Confident | 82.3 | Confident | 30 Ų | 30 | 40.1 Ų | 40.1 | 15% | 0.148 | 25% | 0.254 | C | S | . | . | trans | -58.6 | 141 | -178.9 | 71.8 | 174.7 | 69 | 0 | 0 | 111.5 | I19 P20 L23 V45 D46 I51 P56 | I19-M49 HydrophobicContact CG2-CE 3.74Å; I19-M49 HydrophobicContact CG2-SD 4.28Å; P20-M49 HydrophobicContact CB-SD 4.28Å; P20-M49 HydrophobicContact CG-SD 3.98Å; L23-M49 HydrophobicContact CD2-CE 4.24Å; L23-M49 HydrophobicContact CD2-CG 4.02Å; L23-M49 HydrophobicContact CD2-SD 3.91Å; V45-M49 HydrophobicContact CG1-CE 3.58Å; D46-M49 HydrophobicContact CB-CB 4.34Å; D46-M49 HydrophobicContact CB-CE 4.31Å; D46-M49 WeakPolarHBondContact O-CE 3.37Å; D46-M49 WeakPolarHBondContact O-CG 3.35Å; D46-M49 PolarHBondContact O-N 3.11Å; M49-I51 HydrophobicContact CG-CD1 4.42Å; M49-I51 HydrophobicContact CG-CG1 4.12Å; M49-I51 HydrophobicContact SD-CG1 4.41Å; M49-P56 HydrophobicContact CG-CG 4.29Å; M49-P56 WeakPolarHBondContact O-CD 3.31Å | ||
| 50 | V | 82.1 | Confident | 82.7 | Confident | 86 Ų | 86 | 38 Ų | 38 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | trans | -93.2 | 123.7 | 179 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 51 | I | 82.8 | Confident | 83.4 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -113.8 | 109.9 | -177.3 | -46.2 | 165.8 | 0 | 0 | 0 | 108.3 | P20 L23 R24 M49 G53 V54 P56 | P20-I51 HydrophobicContact CB-CB 4.47Å; P20-I51 HydrophobicContact CB-CD1 4.47Å; P20-I51 HydrophobicContact CB-CG1 3.97Å; P20-I51 HydrophobicContact CB-CG2 3.89Å; P20-I51 VanDerWaalsContact O-CD1 3.3Å; P20-I51 WeakPolarHBondContact O-CD1 3.49Å; L23-I51 HydrophobicContact CB-CD1 4.12Å; L23-I51 HydrophobicContact CD2-CD1 4.17Å; L23-I51 HydrophobicContact CG-CD1 4.19Å; R24-I51 HydrophobicContact CB-CD1 4.09Å; R24-I51 HydrophobicContact CB-CG2 4.19Å; M49-I51 HydrophobicContact CG-CD1 4.42Å; M49-I51 HydrophobicContact CG-CG1 4.12Å; M49-I51 HydrophobicContact SD-CG1 4.41Å; I51-G53 PolarHBondContact O-N 3.43Å; I51-V54 PolarHBondContact N-O 3.49Å; I51-V54 PolarHBondContact O-N 3.18Å; I51-P56 HydrophobicContact CD1-CG 3.83Å |
| 52 | D | 77.4 | Confident | 84.2 | Confident | 110 Ų | 110 | 37.1 Ų | 37.1 | 59% | 0.588 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 38.8 | -172.9 | -61.5 | -28.2 | 0 | 0 | 0 | 113.2 | W21 | W21-D52 WeakPolarHBondContact CH2-OD2 3.36Å; W21-D52 VanDerWaalsContact CZ3-OD2 3.3Å; W21-D52 WeakPolarHBondContact CZ3-OD2 3.38Å |
| 53 | G | 78.3 | Confident | 85.5 | Confident | 47 Ų | 47 | 34.7 Ų | 34.7 | 49% | 0.485 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 6.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I51 | I51-G53 PolarHBondContact O-N 3.43Š|
| 54 | V | 80.7 | Confident | 86.9 | Confident | 51 Ų | 51 | 31.7 Ų | 31.7 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | B | Isolated β-bridge | trans | -124.5 | 124.3 | 179.6 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | I51 L59 D83 | I51-V54 PolarHBondContact N-O 3.49Å; I51-V54 PolarHBondContact O-N 3.18Å; V54-L59 HydrophobicContact CG1-CB 4.14Å; V54-D83 WeakPolarHBondContact CA-OD2 3.49Å |
| 55 | C | 87.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | trans | -66.7 | 133.7 | 168.8 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | L57 N58 L59 V81 D83 | C55-L57 PolarHBondContact O-N 3.39Å; C55-L57 VanDerWaalsContact O-N 3.14Å; C55-N58 PolarHBondContact O-N 3.11Å; C55-N58 VanDerWaalsContact O-N 3.07Å; C55-L59 PolarHBondContact O-N 2.95Å; C55-L59 VanDerWaalsContact O-N 3.1Å; C55-V81 HydrophobicContact CB-CB 4.46Å; C55-V81 HydrophobicContact CB-CG1 3.89Å; C55-D83 WeakPolarHBondContact CA-OD2 3.33Å; C55-D83 WeakPolarHBondContact CB-OD1 3.25Å; C55-D83 VanDerWaalsContact CB-OD2 3.24Å; C55-D83 WeakPolarHBondContact CB-OD2 3.46Å; C55-D83 PolarHBondContact N-OD1 3.11Å; C55-D83 PolarHBondContact N-OD2 3.45Å | ||
| 56 | P | 89.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -46 | -40.5 | 172.9 | -33.3 | 35.1 | 0 | 0 | 0 | 114.2 | L23 I27 M49 I51 L59 A60 L72 | L23-P56 HydrophobicContact CD2-CB 4.06Å; L23-P56 HydrophobicContact CD2-CG 3.42Å; L23-P56 VanDerWaalsContact CD2-CG 3.42Å; L23-P56 HydrophobicContact CG-CB 4.3Å; L23-P56 HydrophobicContact CG-CG 4.01Å; I27-P56 HydrophobicContact CD1-CB 3.57Å; M49-P56 HydrophobicContact CG-CG 4.29Å; M49-P56 WeakPolarHBondContact O-CD 3.31Å; I51-P56 HydrophobicContact CD1-CG 3.83Å; P56-L59 PolarHBondContact O-N 3.47Å; P56-A60 WeakPolarHBondContact O-CB 3.31Å; P56-A60 PolarHBondContact O-N 3.15Å; P56-L72 HydrophobicContact CB-CD1 4.32Å; P56-L72 HydrophobicContact CB-CD2 3.92Å |
| 57 | L | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -49 | 179.5 | -176.5 | 60.1 | 0 | 0 | 0 | 111.3 | C55 L59 A60 V61 V69 L72 I73 A77 I79 P88 | C55-L57 PolarHBondContact O-N 3.39Å; C55-L57 VanDerWaalsContact O-N 3.14Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-L59 PolarHBondContact O-N 3.12Å; L57-A60 PolarHBondContact O-N 2.97Å; L57-V61 HydrophobicContact CD1-CG2 4.49Å; L57-V61 WeakPolarHBondContact O-CG2 3.49Å; L57-V61 PolarHBondContact O-N 2.89Å; L57-V69 HydrophobicContact CD1-CB 4.49Å; L57-V69 HydrophobicContact CD1-CG1 3.89Å; L57-L72 HydrophobicContact CD1-CB 4.05Å; L57-L72 HydrophobicContact CD1-CD1 4.45Å; L57-I73 HydrophobicContact CD1-CG1 4.17Å; L57-A77 HydrophobicContact CB-CB 4.33Å; L57-A77 HydrophobicContact CD2-CB 4.13Å; L57-I79 HydrophobicContact CD2-CG1 4.33Å; L57-P88 HydrophobicContact CD2-CB 4.18Å; L57-P88 HydrophobicContact CD2-CG 3.69Å; L57-P88 HydrophobicContact CG-CB 4.36Å; L57-P88 HydrophobicContact CG-CG 4.14Å |
| 58 | N | 90.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 179.2 | -73.4 | -26.8 | 0 | 0 | 0 | 112 | C55 V61 E62 V81 D83 P88 | C55-N58 PolarHBondContact O-N 3.11Å; C55-N58 VanDerWaalsContact O-N 3.07Å; N58-V61 PolarHBondContact O-N 3.25Å; N58-E62 WeakPolarHBondContact O-CB 3.41Å; N58-E62 PolarHBondContact O-N 3.34Å; N58-V81 PolarHBondContact ND2-O 3Å; N58-D83 WeakPolarHBondContact CB-OD2 3.46Å; N58-D83 PolarHBondContact ND2-OD2 3.49Å; N58-P88 WeakPolarHBondContact OD1-CA 3.35Å; N58-P88 WeakPolarHBondContact OD1-CD 3.41Å; N58-P88 VanDerWaalsContact OD1-CG 3.24Å; N58-P88 WeakPolarHBondContact OD1-CG 3.32Å |
| 59 | L | 90.8 | Very high | 89.8 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.5 | -43.5 | 174.1 | -177.7 | 63.1 | 0 | 0 | 0 | 111.9 | R24 I27 R28 V54 C55 P56 L57 V61 E62 L63 | R24-L59 HydrophobicContact CG-CD2 3.93Å; I27-L59 HydrophobicContact CB-CD2 4.17Å; I27-L59 HydrophobicContact CG2-CB 4.28Å; I27-L59 HydrophobicContact CG2-CD2 3.82Å; I27-L59 HydrophobicContact CG2-CG 3.75Å; R28-L59 HydrophobicContact CG-CD2 4.14Å; V54-L59 HydrophobicContact CG1-CB 4.14Å; C55-L59 PolarHBondContact O-N 2.95Å; C55-L59 VanDerWaalsContact O-N 3.1Å; P56-L59 PolarHBondContact O-N 3.47Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-L59 PolarHBondContact O-N 3.12Å; L59-V61 VanDerWaalsContact C-N 3.32Å; L59-V61 PolarHBondContact O-N 3.14Å; L59-E62 PolarHBondContact O-N 3.44Å; L59-L63 HydrophobicContact CD1-CD1 4.13Å; L59-L63 HydrophobicContact CD1-CG 4.34Å; L59-L63 HydrophobicContact CG-CD1 4.15Å; L59-L63 VanDerWaalsContact O-CG 3.28Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 3.2Å; L59-L63 VanDerWaalsContact O-N 3.07Å |
| 60 | A | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -36 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | I27 P56 L57 G64 Y65 M68 V69 L72 | I27-A60 HydrophobicContact CG2-CB 4.13Å; P56-A60 WeakPolarHBondContact O-CB 3.31Å; P56-A60 PolarHBondContact O-N 3.15Å; L57-A60 PolarHBondContact O-N 2.97Å; A60-G64 PolarHBondContact O-N 3.25Å; A60-G64 VanDerWaalsContact O-N 3.12Å; A60-Y65 PolarHBondContact O-N 3.12Å; A60-M68 HydrophobicContact CB-CB 4.12Å; A60-V69 HydrophobicContact CB-CG2 3.85Å; A60-L72 HydrophobicContact CB-CD1 3.71Å |
| 61 | V | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.9 | -49.2 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L57 N58 L59 L63 G64 V69 P88 Q91 A92 I100 L104 | L57-V61 HydrophobicContact CD1-CG2 4.49Å; L57-V61 WeakPolarHBondContact O-CG2 3.49Å; L57-V61 PolarHBondContact O-N 2.89Å; N58-V61 PolarHBondContact O-N 3.25Å; L59-V61 VanDerWaalsContact C-N 3.32Å; L59-V61 PolarHBondContact O-N 3.14Å; V61-L63 VanDerWaalsContact C-N 3.33Å; V61-L63 PolarHBondContact O-N 3.44Å; V61-G64 PolarHBondContact O-N 3.03Å; V61-V69 HydrophobicContact CG2-CG2 3.89Å; V61-P88 HydrophobicContact CG2-CB 4.47Å; V61-Q91 HydrophobicContact CB-CG 4.46Å; V61-Q91 HydrophobicContact CG1-CB 3.88Å; V61-Q91 HydrophobicContact CG1-CG 4.04Å; V61-A92 HydrophobicContact CG1-CB 3.76Å; V61-A92 VanDerWaalsContact CG1-N 3.33Å; V61-I100 HydrophobicContact CB-CG2 4.33Å; V61-I100 HydrophobicContact CG1-CG2 4.01Å; V61-I100 HydrophobicContact CG2-CG2 3.82Å; V61-L104 HydrophobicContact CG2-CD1 4.24Å |
| 62 | E | 91.9 | Very high | 91.3 | Very high | 59 Ų | 59 | 31.3 Ų | 31.3 | 28% | 0.276 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -53.8 | -49.9 | 176.3 | 169.9 | 174.8 | 143.2 | 0 | 0 | 111.5 | N58 L59 G64 Q91 Y95 R97 | N58-E62 WeakPolarHBondContact O-CB 3.41Å; N58-E62 PolarHBondContact O-N 3.34Å; L59-E62 PolarHBondContact O-N 3.44Å; E62-G64 PolarHBondContact O-N 3.35Å; E62-Q91 HydrophobicContact CB-CG 4.36Å; E62-Q91 PolarHBondContact OE2-NE2 2.98Å; E62-Y95 HydrophobicContact CB-CD2 4.2Å; E62-Y95 HydrophobicContact CB-CE2 3.89Å; E62-Y95 HydrophobicContact CG-CD2 4.23Å; E62-Y95 HydrophobicContact CG-CE1 4.18Å; E62-Y95 HydrophobicContact CG-CE2 3.65Å; E62-R97 PolarHBondContact O-NH2 2.98Å |
| 63 | L | 94.5 | Very high | 92 | Very high | 44 Ų | 44 | 27.7 Ų | 27.7 | 23% | 0.23 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.6 | -14 | 179.9 | -62.8 | 176.8 | 0 | 0 | 0 | 113.3 | I27 R28 L59 V61 Y65 R97 | I27-L63 HydrophobicContact CG2-CD1 4.09Å; R28-L63 HydrophobicContact CG-CD1 4.47Å; L59-L63 HydrophobicContact CD1-CD1 4.13Å; L59-L63 HydrophobicContact CD1-CG 4.34Å; L59-L63 HydrophobicContact CG-CD1 4.15Å; L59-L63 VanDerWaalsContact O-CG 3.28Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 3.2Å; L59-L63 VanDerWaalsContact O-N 3.07Å; V61-L63 VanDerWaalsContact C-N 3.33Å; V61-L63 PolarHBondContact O-N 3.44Å; L63-Y65 HydrophobicContact CB-CD1 4.4Å; L63-Y65 HydrophobicContact CB-CD2 3.72Å; L63-Y65 HydrophobicContact CB-CE1 4.26Å; L63-Y65 HydrophobicContact CB-CE2 3.55Å; L63-Y65 HydrophobicContact CB-CG 4.14Å; L63-Y65 HydrophobicContact CD1-CD2 4.09Å; L63-Y65 HydrophobicContact CD1-CE2 3.56Å; L63-Y65 HydrophobicContact CG-CE2 4.15Å; L63-R97 PolarHBondContact O-NH2 3.2Å |
| 64 | G | 95.1 | Very high | 92.6 | Very high | 24 Ų | 24 | 34.2 Ų | 34.2 | 25% | 0.247 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 22.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A60 V61 E62 L66 | A60-G64 PolarHBondContact O-N 3.25Å; A60-G64 VanDerWaalsContact O-N 3.12Å; V61-G64 PolarHBondContact O-N 3.03Å; E62-G64 PolarHBondContact O-N 3.35Å; G64-L66 PolarHBondContact O-N 3.43Å; G64-L66 VanDerWaalsContact O-N 3.11Å |
| 65 | Y | 96.4 | Very high | 93.1 | Very high | 63 Ų | 63 | 33.7 Ų | 33.7 | 25% | 0.247 | 17% | 0.168 | C | C | . | . | trans | -87.2 | 80.8 | -175.8 | -60.1 | -27.5 | 0 | 0 | 0 | 111.6 | I27 N30 A60 L63 Q67 M68 V69 | I27-Y65 WeakPolarHBondContact O-CD2 3.42Å; I27-Y65 WeakPolarHBondContact O-CE2 3.23Å; N30-Y65 HydrophobicContact CB-CD1 4.41Å; N30-Y65 HydrophobicContact CB-CD2 4.01Å; N30-Y65 HydrophobicContact CB-CE1 4.11Å; N30-Y65 HydrophobicContact CB-CE2 3.67Å; N30-Y65 HydrophobicContact CB-CG 4.38Å; A60-Y65 PolarHBondContact O-N 3.12Å; L63-Y65 HydrophobicContact CB-CD1 4.4Å; L63-Y65 HydrophobicContact CB-CD2 3.72Å; L63-Y65 HydrophobicContact CB-CE1 4.26Å; L63-Y65 HydrophobicContact CB-CE2 3.55Å; L63-Y65 HydrophobicContact CB-CG 4.14Å; L63-Y65 HydrophobicContact CD1-CD2 4.09Å; L63-Y65 HydrophobicContact CD1-CE2 3.56Å; L63-Y65 HydrophobicContact CG-CE2 4.15Å; Y65-Q67 VanDerWaalsContact C-N 3.26Å; Y65-Q67 PolarHBondContact O-N 2.88Å; Y65-Q67 VanDerWaalsContact O-N 3.15Å; Y65-M68 HydrophobicContact CD2-SD 3.77Å; Y65-M68 HydrophobicContact CG-SD 4.34Å; Y65-M68 PolarHBondContact O-N 3.03Å; Y65-V69 PolarHBondContact O-N 3.47Å | ||
| 66 | L | 95.8 | Very high | 93.1 | Very high | 52 Ų | 52 | 36 Ų | 36 | 27% | 0.272 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -49.1 | -43.7 | -177.7 | -178.6 | 66 | 0 | 0 | 0 | 113.3 | G64 M68 V69 K70 D99 I100 L103 | G64-L66 PolarHBondContact O-N 3.43Å; G64-L66 VanDerWaalsContact O-N 3.11Å; L66-M68 PolarHBondContact O-N 3.11Å; L66-V69 PolarHBondContact O-N 3.29Å; L66-K70 WeakPolarHBondContact O-CG 3.17Å; L66-K70 PolarHBondContact O-N 2.95Å; L66-D99 HydrophobicContact CD1-CB 4.28Å; L66-D99 HydrophobicContact CD2-CB 4.28Å; L66-I100 HydrophobicContact CB-CG1 4.32Å; L66-I100 HydrophobicContact CD1-CG1 3.81Å; L66-L103 HydrophobicContact CD1-CB 4.46Å; L66-L103 HydrophobicContact CD1-CD2 3.85Å |
| 67 | Q | 95.4 | Very high | 93.2 | Very high | 94 Ų | 94 | 36.3 Ų | 36.3 | 44% | 0.439 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68 | -34.9 | -179.4 | -171.3 | 59.5 | 20.4 | 0 | 0 | 112.6 | V32 Y65 K70 I71 | V32-Q67 HydrophobicContact CG1-CG 4.25Å; V32-Q67 HydrophobicContact CG2-CG 4.27Å; Y65-Q67 VanDerWaalsContact C-N 3.26Å; Y65-Q67 PolarHBondContact O-N 2.88Å; Y65-Q67 VanDerWaalsContact O-N 3.15Å; Q67-K70 PolarHBondContact O-N 3.46Å; Q67-I71 HydrophobicContact CG-CD1 4.25Å; Q67-I71 WeakPolarHBondContact O-CD1 3.34Å; Q67-I71 VanDerWaalsContact O-CG1 3.31Å; Q67-I71 WeakPolarHBondContact O-CG1 3.47Å; Q67-I71 PolarHBondContact O-N 3.29Å; Q67-I71 VanDerWaalsContact O-N 3.12Å |
| 68 | M | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.1 | -41.3 | 175.6 | -60.4 | -163.6 | 95.5 | 0 | 0 | 111.1 | A26 I27 V32 L35 A60 Y65 L66 K70 I71 L72 | A26-M68 WeakPolarHBondContact O-CE 3.18Å; I27-M68 HydrophobicContact CB-CE 4.3Å; I27-M68 HydrophobicContact CB-SD 4.42Å; I27-M68 HydrophobicContact CG1-CE 3.89Å; I27-M68 HydrophobicContact CG1-SD 4.39Å; I27-M68 HydrophobicContact CG2-SD 4.4Å; V32-M68 HydrophobicContact CG2-CG 4.2Å; L35-M68 HydrophobicContact CB-CE 3.77Å; L35-M68 HydrophobicContact CD1-CE 4.27Å; L35-M68 HydrophobicContact CD2-CB 4.02Å; L35-M68 HydrophobicContact CD2-CE 3.56Å; L35-M68 HydrophobicContact CD2-CG 4.22Å; L35-M68 HydrophobicContact CG-CE 4.06Å; A60-M68 HydrophobicContact CB-CB 4.12Å; Y65-M68 HydrophobicContact CD2-SD 3.77Å; Y65-M68 HydrophobicContact CG-SD 4.34Å; Y65-M68 PolarHBondContact O-N 3.03Å; L66-M68 PolarHBondContact O-N 3.11Å; M68-K70 VanDerWaalsContact C-N 3.33Å; M68-K70 PolarHBondContact O-N 3.33Å; M68-I71 PolarHBondContact O-N 3.46Å; M68-I71 VanDerWaalsContact O-N 3.14Å; M68-L72 WeakPolarHBondContact O-CB 3.43Å; M68-L72 WeakPolarHBondContact O-CG 3.45Å; M68-L72 PolarHBondContact O-N 2.68Å |
| 69 | V | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57 | -46.8 | 172.8 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | L57 A60 V61 Y65 L66 I71 L72 I73 I100 L103 | L57-V69 HydrophobicContact CD1-CB 4.49Å; L57-V69 HydrophobicContact CD1-CG1 3.89Å; A60-V69 HydrophobicContact CB-CG2 3.85Å; V61-V69 HydrophobicContact CG2-CG2 3.89Å; Y65-V69 PolarHBondContact O-N 3.47Å; L66-V69 PolarHBondContact O-N 3.29Å; V69-I71 VanDerWaalsContact C-N 3.3Å; V69-I71 PolarHBondContact O-N 3.48Å; V69-L72 PolarHBondContact O-N 2.98Å; V69-I73 HydrophobicContact CG1-CD1 3.76Å; V69-I73 HydrophobicContact CG1-CG1 4.39Å; V69-I73 WeakPolarHBondContact O-CG1 3.25Å; V69-I73 PolarHBondContact O-N 3.46Å; V69-I100 HydrophobicContact CG1-CG2 4.31Å; V69-I100 HydrophobicContact CG2-CD1 4.27Å; V69-I100 HydrophobicContact CG2-CG2 4.3Å; V69-L103 HydrophobicContact CB-CD2 4.39Å; V69-L103 HydrophobicContact CG1-CD2 3.82Å |
| 70 | K | 95.7 | Very high | 92.4 | Very high | 77 Ų | 77 | 45.6 Ų | 45.6 | 34% | 0.335 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.2 | -41.3 | 175.5 | -73.9 | 175.2 | -179.4 | 175.4 | 0 | 112.7 | L66 Q67 M68 K74 L103 | L66-K70 WeakPolarHBondContact O-CG 3.17Å; L66-K70 PolarHBondContact O-N 2.95Å; Q67-K70 PolarHBondContact O-N 3.46Å; M68-K70 VanDerWaalsContact C-N 3.33Å; M68-K70 PolarHBondContact O-N 3.33Å; K70-K74 WeakPolarHBondContact O-CB 3.46Å; K70-K74 VanDerWaalsContact O-CG 3.23Å; K70-K74 WeakPolarHBondContact O-CG 3.3Å; K70-K74 PolarHBondContact O-N 3.15Å; K70-K74 VanDerWaalsContact O-N 3.12Å; K70-L103 HydrophobicContact CB-CD2 4.46Å; K70-L103 HydrophobicContact CG-CD1 4.31Å; K70-L103 HydrophobicContact CG-CD2 3.46Å; K70-L103 VanDerWaalsContact CG-CD2 3.46Å |
| 71 | I | 93.5 | Very high | 91.4 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70 | -42.3 | 179.7 | -69.6 | 160.8 | 0 | 0 | 0 | 110.8 | V32 L35 Q36 F39 Q67 M68 V69 K74 A75 | V32-I71 HydrophobicContact CG1-CD1 3.49Å; V32-I71 VanDerWaalsContact CG1-CD1 3.49Å; L35-I71 HydrophobicContact CD2-CB 4.02Å; L35-I71 HydrophobicContact CD2-CD1 4.44Å; L35-I71 HydrophobicContact CD2-CG2 3.76Å; L35-I71 HydrophobicContact CG-CG2 4.15Å; Q36-I71 HydrophobicContact CG-CD1 3.83Å; Q36-I71 HydrophobicContact CG-CG1 4.44Å; Q36-I71 HydrophobicContact CG-CG2 4.38Å; F39-I71 HydrophobicContact CD2-CG2 4Å; F39-I71 HydrophobicContact CE2-CG2 4.38Å; Q67-I71 HydrophobicContact CG-CD1 4.25Å; Q67-I71 WeakPolarHBondContact O-CD1 3.34Å; Q67-I71 VanDerWaalsContact O-CG1 3.31Å; Q67-I71 WeakPolarHBondContact O-CG1 3.47Å; Q67-I71 PolarHBondContact O-N 3.29Å; Q67-I71 VanDerWaalsContact O-N 3.12Å; M68-I71 PolarHBondContact O-N 3.46Å; M68-I71 VanDerWaalsContact O-N 3.14Å; V69-I71 VanDerWaalsContact C-N 3.3Å; V69-I71 PolarHBondContact O-N 3.48Å; I71-K74 PolarHBondContact O-N 3.21Å; I71-A75 WeakPolarHBondContact O-CB 3.29Å; I71-A75 PolarHBondContact O-N 3.01Å |
| 72 | L | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 179 | -73.5 | 164.4 | 0 | 0 | 0 | 111.5 | I27 L35 F39 P56 L57 A60 M68 V69 K74 A75 G76 A77 | I27-L72 HydrophobicContact CD1-CD1 4.3Å; L35-L72 HydrophobicContact CD2-CG 4.37Å; F39-L72 HydrophobicContact CE2-CD2 3.59Å; F39-L72 HydrophobicContact CE2-CG 4.44Å; F39-L72 HydrophobicContact CZ-CD2 3.45Å; F39-L72 VanDerWaalsContact CZ-CD2 3.45Å; P56-L72 HydrophobicContact CB-CD1 4.32Å; P56-L72 HydrophobicContact CB-CD2 3.92Å; L57-L72 HydrophobicContact CD1-CB 4.05Å; L57-L72 HydrophobicContact CD1-CD1 4.45Å; A60-L72 HydrophobicContact CB-CD1 3.71Å; M68-L72 WeakPolarHBondContact O-CB 3.43Å; M68-L72 WeakPolarHBondContact O-CG 3.45Å; M68-L72 PolarHBondContact O-N 2.68Å; V69-L72 PolarHBondContact O-N 2.98Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 3.1Å; L72-A75 WeakPolarHBondContact O-CB 3.43Å; L72-A75 PolarHBondContact O-N 2.96Å; L72-A75 VanDerWaalsContact O-N 3.11Å; L72-G76 PolarHBondContact O-N 3.22Å; L72-A77 HydrophobicContact CB-CB 4Å; L72-A77 WeakPolarHBondContact O-CB 3.15Å; L72-A77 PolarHBondContact O-N 2.84Å |
| 73 | I | 92.6 | Very high | 88.7 | Confident | 34 Ų | 34 | 47.1 Ų | 47.1 | 17% | 0.174 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 175.8 | -65.7 | 170.6 | 0 | 0 | 0 | 110.5 | L57 V69 A75 G76 I79 L103 L104 | L57-I73 HydrophobicContact CD1-CG1 4.17Å; V69-I73 HydrophobicContact CG1-CD1 3.76Å; V69-I73 HydrophobicContact CG1-CG1 4.39Å; V69-I73 WeakPolarHBondContact O-CG1 3.25Å; V69-I73 PolarHBondContact O-N 3.46Å; I73-A75 VanDerWaalsContact C-N 3.26Å; I73-A75 PolarHBondContact O-N 3.03Å; I73-G76 PolarHBondContact O-N 3.41Å; I73-I79 HydrophobicContact CG1-CD1 4.43Å; I73-I79 HydrophobicContact CG1-CG1 4.43Å; I73-I79 HydrophobicContact CG2-CD1 4.25Å; I73-L103 HydrophobicContact CD1-CD2 4.25Å; I73-L103 HydrophobicContact CD1-CG 4.2Å; I73-L104 HydrophobicContact CD1-CD2 3.98Å |
| 74 | K | 91.5 | Very high | 86.9 | Confident | 185 Ų | 185 | 49.2 Ų | 49.2 | 80% | 0.804 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64 | -29 | 176.5 | -76.7 | -179.7 | 179 | -170.1 | 0 | 113.7 | K70 I71 L72 G76 | K70-K74 WeakPolarHBondContact O-CB 3.46Å; K70-K74 VanDerWaalsContact O-CG 3.23Å; K70-K74 WeakPolarHBondContact O-CG 3.3Å; K70-K74 PolarHBondContact O-N 3.15Å; K70-K74 VanDerWaalsContact O-N 3.12Å; I71-K74 PolarHBondContact O-N 3.21Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 3.1Å; K74-G76 PolarHBondContact O-N 3.47Å |
| 75 | A | 90.5 | Very high | 85.3 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F39 P47 I71 L72 I73 | F39-A75 HydrophobicContact CB-CB 4.44Å; F39-A75 HydrophobicContact CD1-CB 3.77Å; F39-A75 HydrophobicContact CD2-CB 4.05Å; F39-A75 HydrophobicContact CE1-CB 4.02Å; F39-A75 HydrophobicContact CE2-CB 4.25Å; F39-A75 HydrophobicContact CG-CB 3.82Å; F39-A75 HydrophobicContact CZ-CB 4.26Å; P47-A75 HydrophobicContact CB-CB 4.07Å; P47-A75 HydrophobicContact CG-CB 4.39Å; P47-A75 WeakPolarHBondContact CG-O 3.5Å; I71-A75 WeakPolarHBondContact O-CB 3.29Å; I71-A75 PolarHBondContact O-N 3.01Å; L72-A75 WeakPolarHBondContact O-CB 3.43Å; L72-A75 PolarHBondContact O-N 2.96Å; L72-A75 VanDerWaalsContact O-N 3.11Å; I73-A75 VanDerWaalsContact C-N 3.26Å; I73-A75 PolarHBondContact O-N 3.03Å |
| 76 | G | 89.4 | Confident | 84.5 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | 22.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L72 I73 K74 D78 | L72-G76 PolarHBondContact O-N 3.22Å; I73-G76 PolarHBondContact O-N 3.41Å; K74-G76 PolarHBondContact O-N 3.47Å; G76-D78 PolarHBondContact O-N 2.69Å |
| 77 | A | 90.1 | Very high | 84.2 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 5% | 0.05 | 29% | 0.287 | C | S | . | . | trans | -58.5 | 127.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P47 L57 L72 I79 | P47-A77 HydrophobicContact CB-CB 3.93Å; P47-A77 HydrophobicContact CG-CB 4.4Å; P47-A77 VanDerWaalsContact CG-N 3.31Å; L57-A77 HydrophobicContact CB-CB 4.33Å; L57-A77 HydrophobicContact CD2-CB 4.13Å; L72-A77 HydrophobicContact CB-CB 4Å; L72-A77 WeakPolarHBondContact O-CB 3.15Å; L72-A77 PolarHBondContact O-N 2.84Å; A77-I79 PolarHBondContact O-N 3.05Å | ||
| 78 | D | 86.6 | Confident | 84 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | trans | -70.9 | 122.3 | 177.4 | 173.8 | 21.4 | 0 | 0 | 0 | 109.8 | S48 G76 Y80 V81 | S48-D78 PolarHBondContact OG-N 3.45Å; G76-D78 PolarHBondContact O-N 2.69Å; D78-Y80 PolarHBondContact O-N 3.46Å; D78-Y80 WeakPolarHBondContact OD1-CB 3.5Å; D78-Y80 PolarHBondContact OD1-N 3.32Å; D78-V81 HydrophobicContact CB-CG2 3.57Å; D78-V81 WeakPolarHBondContact O-CG2 3.38Å; D78-V81 WeakPolarHBondContact OD2-CG2 3.31Å | ||
| 79 | I | 88.2 | Confident | 84 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -8.8 | -177.3 | -60.1 | 167.4 | 0 | 0 | 0 | 110.7 | L57 I73 A77 P88 L104 S107 A109 | L57-I79 HydrophobicContact CD2-CG1 4.33Å; I73-I79 HydrophobicContact CG1-CD1 4.43Å; I73-I79 HydrophobicContact CG1-CG1 4.43Å; I73-I79 HydrophobicContact CG2-CD1 4.25Å; A77-I79 PolarHBondContact O-N 3.05Å; I79-P88 WeakPolarHBondContact O-CD 3.18Å; I79-P88 WeakPolarHBondContact O-CG 3.33Å; I79-L104 HydrophobicContact CG2-CD2 4.12Å; I79-S107 WeakPolarHBondContact CD1-O 3.32Å; I79-A109 HydrophobicContact CG2-CB 3.65Å |
| 80 | Y | 82.7 | Confident | 83.9 | Confident | 119 Ų | 119 | 48.5 Ų | 48.5 | 47% | 0.467 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 9.3 | 178.2 | -59.7 | -80.4 | 0 | 0 | 0 | 113.2 | D78 A82 Y87 G108 | D78-Y80 PolarHBondContact O-N 3.46Å; D78-Y80 WeakPolarHBondContact OD1-CB 3.5Å; D78-Y80 PolarHBondContact OD1-N 3.32Å; Y80-A82 PolarHBondContact O-N 3.09Å; Y80-A82 VanDerWaalsContact O-N 3.14Å; Y80-Y87 VanDerWaalsContact O-CD1 3.25Å; Y80-Y87 WeakPolarHBondContact O-CD1 3.5Å; Y80-Y87 WeakPolarHBondContact O-CE1 3.47Å; Y80-G108 PolarHBondContact OH-O 2.96Å |
| 81 | V | 72.3 | Confident | 83.7 | Confident | 25 Ų | 25 | 46 Ų | 46 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | trans | -72.1 | 110.8 | 174.9 | -176 | 0 | 0 | 0 | 0 | 110.1 | C55 N58 D78 P88 | C55-V81 HydrophobicContact CB-CB 4.46Å; C55-V81 HydrophobicContact CB-CG1 3.89Å; N58-V81 PolarHBondContact ND2-O 3Å; D78-V81 HydrophobicContact CB-CG2 3.57Å; D78-V81 WeakPolarHBondContact O-CG2 3.38Å; D78-V81 WeakPolarHBondContact OD2-CG2 3.31Å; V81-P88 WeakPolarHBondContact O-CD 3.32Å | ||
| 82 | A | 65.9 | Low | 83.8 | Confident | 46 Ų | 46 | 45 Ų | 45 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | trans | -88.7 | 105.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y80 Y87 | Y80-A82 PolarHBondContact O-N 3.09Å; Y80-A82 VanDerWaalsContact O-N 3.14Å; A82-Y87 HydrophobicContact CB-CD1 4Å; A82-Y87 HydrophobicContact CB-CE1 3.91Å | ||
| 83 | D | 63.5 | Low | 83.9 | Confident | 20 Ų | 20 | 45 Ų | 45 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -80.8 | 121.7 | 163.8 | -65.2 | -34.5 | 0 | 0 | 0 | 108 | V54 C55 N58 R86 | V54-D83 WeakPolarHBondContact CA-OD2 3.49Å; C55-D83 WeakPolarHBondContact CA-OD2 3.33Å; C55-D83 WeakPolarHBondContact CB-OD1 3.25Å; C55-D83 VanDerWaalsContact CB-OD2 3.24Å; C55-D83 WeakPolarHBondContact CB-OD2 3.46Å; C55-D83 PolarHBondContact N-OD1 3.11Å; C55-D83 PolarHBondContact N-OD2 3.45Å; N58-D83 WeakPolarHBondContact CB-OD2 3.46Å; N58-D83 PolarHBondContact ND2-OD2 3.49Å; D83-R86 PolarHBondContact N-O 3.46Å; D83-R86 PolarHBondContact O-N 3.01Å |
| 84 | A | 57.4 | Low | 84 | Confident | 89 Ų | 89 | 45.6 Ų | 45.6 | 74% | 0.736 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37.5 | 84.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 85 | P | 61.2 | Low | 84.1 | Confident | 54 Ų | 54 | 40.3 Ų | 40.3 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | -66 | 80.6 | -92 | 34.3 | -33.4 | 0 | 0 | 0 | 114.1 | E116 | P85-E116 HydrophobicContact CG-CB 3.66Å; P85-E116 HydrophobicContact CG-CG 3.6Å; P85-E116 WeakPolarHBondContact CG-OE2 3.37Å | |
| 86 | R | 78.9 | Confident | 84.4 | Confident | 78 Ų | 78 | 38.8 Ų | 38.8 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -129.1 | 122.9 | 175.7 | -64.4 | 177.7 | -175.5 | -127 | -2.4 | 111.3 | D83 H90 | D83-R86 PolarHBondContact N-O 3.46Å; D83-R86 PolarHBondContact O-N 3.01Å; R86-H90 HydrophobicContact CB-CB 4.13Å |
| 87 | Y | 89.8 | Confident | 84.8 | Confident | 77 Ų | 77 | 40.3 Ų | 40.3 | 30% | 0.302 | 21% | 0.209 | S | C | . | . | trans | -65.6 | 157.3 | 170.3 | -58.8 | -62.5 | 0 | 0 | 0 | 112 | Y80 A82 L89 H90 Q91 A113 | Y80-Y87 VanDerWaalsContact O-CD1 3.25Å; Y80-Y87 WeakPolarHBondContact O-CD1 3.5Å; Y80-Y87 WeakPolarHBondContact O-CE1 3.47Å; A82-Y87 HydrophobicContact CB-CD1 4Å; A82-Y87 HydrophobicContact CB-CE1 3.91Å; Y87-L89 PolarHBondContact O-N 3.46Å; Y87-L89 VanDerWaalsContact O-N 3.1Å; Y87-H90 AromaticContact CD2-CE1 3.57Å; Y87-H90 AromaticContact CD2-ND1 3.46Å; Y87-H90 WeakPolarHBondContact CD2-ND1 3.23Å; Y87-H90 AromaticContact CG-ND1 4Å; Y87-H90 WeakPolarHBondContact O-CA 3.21Å; Y87-H90 VanDerWaalsContact O-CB 3.28Å; Y87-H90 WeakPolarHBondContact O-CB 3.36Å; Y87-H90 PolarHBondContact O-N 3.29Å; Y87-Q91 PolarHBondContact O-N 3.43Å; Y87-A113 HydrophobicContact CD2-CB 3.74Å; Y87-A113 HydrophobicContact CE2-CB 3.73Å | ||
| 88 | P | 91.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -47.6 | -39.3 | 174.7 | -29 | 30.4 | 0 | 0 | 0 | 114.8 | L57 N58 V61 I79 V81 Q91 A92 L104 | L57-P88 HydrophobicContact CD2-CB 4.18Å; L57-P88 HydrophobicContact CD2-CG 3.69Å; L57-P88 HydrophobicContact CG-CB 4.36Å; L57-P88 HydrophobicContact CG-CG 4.14Å; N58-P88 WeakPolarHBondContact OD1-CA 3.35Å; N58-P88 WeakPolarHBondContact OD1-CD 3.41Å; N58-P88 VanDerWaalsContact OD1-CG 3.24Å; N58-P88 WeakPolarHBondContact OD1-CG 3.32Å; V61-P88 HydrophobicContact CG2-CB 4.47Å; I79-P88 WeakPolarHBondContact O-CD 3.18Å; I79-P88 WeakPolarHBondContact O-CG 3.33Å; V81-P88 WeakPolarHBondContact O-CD 3.32Å; P88-Q91 WeakPolarHBondContact O-CB 3.31Å; P88-Q91 PolarHBondContact O-N 3.28Å; P88-A92 PolarHBondContact O-N 3.22Å; P88-L104 HydrophobicContact CB-CD1 3.85Å; P88-L104 HydrophobicContact CB-CD2 3.89Å; P88-L104 WeakPolarHBondContact O-CD1 3.3Å |
| 89 | L | 94 | Very high | 85.7 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.5 | -36.7 | 178.3 | -173.5 | 60.9 | 0 | 0 | 0 | 112.4 | Y87 Q91 A92 S93 A101 L104 I105 A109 L140 | Y87-L89 PolarHBondContact O-N 3.46Å; Y87-L89 VanDerWaalsContact O-N 3.1Å; L89-Q91 VanDerWaalsContact C-N 3.31Å; L89-A92 PolarHBondContact O-N 3.22Å; L89-S93 WeakPolarHBondContact O-CB 3.38Å; L89-S93 PolarHBondContact O-N 3.03Å; L89-S93 PolarHBondContact O-OG 2.68Å; L89-A101 HydrophobicContact CD1-CB 3.92Å; L89-L104 HydrophobicContact CD1-CB 4.36Å; L89-I105 HydrophobicContact CD1-CD1 4.08Å; L89-I105 HydrophobicContact CD1-CG1 3.85Å; L89-I105 HydrophobicContact CD2-CD1 4.39Å; L89-I105 HydrophobicContact CD2-CG1 3.89Å; L89-A109 HydrophobicContact CB-CB 4.26Å; L89-A109 HydrophobicContact CD2-CB 4.23Å; L89-L140 HydrophobicContact CD1-CD2 4.16Å |
| 90 | H | 93.6 | Very high | 86.1 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 171.4 | -68.9 | 121 | 0 | 0 | 0 | 111.1 | R86 Y87 S93 L94 A113 C121 L124 | R86-H90 HydrophobicContact CB-CB 4.13Å; Y87-H90 AromaticContact CD2-CE1 3.57Å; Y87-H90 AromaticContact CD2-ND1 3.46Å; Y87-H90 WeakPolarHBondContact CD2-ND1 3.23Å; Y87-H90 AromaticContact CG-ND1 4Å; Y87-H90 WeakPolarHBondContact O-CA 3.21Å; Y87-H90 VanDerWaalsContact O-CB 3.28Å; Y87-H90 WeakPolarHBondContact O-CB 3.36Å; Y87-H90 PolarHBondContact O-N 3.29Å; H90-S93 PolarHBondContact O-N 3.21Å; H90-L94 WeakPolarHBondContact O-CB 2.97Å; H90-L94 PolarHBondContact O-N 3.31Å; H90-A113 PolarHBondContact CE1-O 3.29Å; H90-A113 PolarHBondContact NE2-O 2.89Å; H90-C121 PolarHBondContact CD2-SG 3.4Å; H90-L124 HydrophobicContact CB-CD1 3.66Å; H90-L124 WeakPolarHBondContact O-CD1 3.21Å |
| 91 | Q | 92.1 | Very high | 86.8 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -44.4 | 176.9 | -161.7 | 73.2 | -20.7 | 0 | 0 | 111.4 | V61 E62 Y87 P88 L89 S93 L94 Y95 | V61-Q91 HydrophobicContact CB-CG 4.46Å; V61-Q91 HydrophobicContact CG1-CB 3.88Å; V61-Q91 HydrophobicContact CG1-CG 4.04Å; E62-Q91 HydrophobicContact CB-CG 4.36Å; E62-Q91 PolarHBondContact OE2-NE2 2.98Å; Y87-Q91 PolarHBondContact O-N 3.43Å; P88-Q91 WeakPolarHBondContact O-CB 3.31Å; P88-Q91 PolarHBondContact O-N 3.28Å; L89-Q91 VanDerWaalsContact C-N 3.31Å; Q91-S93 PolarHBondContact O-N 3.2Å; Q91-L94 PolarHBondContact O-N 3.26Å; Q91-Y95 HydrophobicContact CG-CD2 4.07Å; Q91-Y95 HydrophobicContact CG-CE2 4.05Å; Q91-Y95 VanDerWaalsContact O-CD2 3.31Å; Q91-Y95 WeakPolarHBondContact O-CD2 3.41Å; Q91-Y95 PolarHBondContact O-N 2.81Å; Q91-Y95 VanDerWaalsContact O-N 3.16Å |
| 92 | A | 95.4 | Very high | 88 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.9 | -39.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V61 P88 L89 G96 R97 I100 A101 L104 | V61-A92 HydrophobicContact CG1-CB 3.76Å; V61-A92 VanDerWaalsContact CG1-N 3.33Å; P88-A92 PolarHBondContact O-N 3.22Å; L89-A92 PolarHBondContact O-N 3.22Å; A92-G96 PolarHBondContact O-N 3.48Å; A92-R97 HydrophobicContact CB-CB 4.3Å; A92-R97 PolarHBondContact O-N 3.09Å; A92-I100 HydrophobicContact CB-CG2 4.18Å; A92-A101 HydrophobicContact CB-CB 4.04Å; A92-L104 HydrophobicContact CB-CD1 4.08Å |
| 93 | S | 95.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68 | -44.2 | 176.9 | -55 | 0 | 0 | 0 | 0 | 112.4 | L89 H90 Q91 Y95 G96 C121 | L89-S93 WeakPolarHBondContact O-CB 3.38Å; L89-S93 PolarHBondContact O-N 3.03Å; L89-S93 PolarHBondContact O-OG 2.68Å; H90-S93 PolarHBondContact O-N 3.21Å; Q91-S93 PolarHBondContact O-N 3.2Å; S93-Y95 VanDerWaalsContact C-N 3.26Å; S93-Y95 PolarHBondContact O-N 3.48Å; S93-G96 PolarHBondContact O-N 3.44Å; S93-C121 VanDerWaalsContact OG-CB 3.28Å; S93-C121 WeakPolarHBondContact OG-CB 3.45Å |
| 94 | L | 93.6 | Very high | 91.1 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 24% | 0.241 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -33.9 | 178.4 | -176 | 66.9 | 0 | 0 | 0 | 113.3 | H90 Q91 Y133 | H90-L94 WeakPolarHBondContact O-CB 2.97Å; H90-L94 PolarHBondContact O-N 3.31Å; Q91-L94 PolarHBondContact O-N 3.26Å; L94-Y133 VanDerWaalsContact O-CE1 3.28Å; L94-Y133 WeakPolarHBondContact O-CE1 3.47Å; L94-Y133 PolarHBondContact O-OH 3.24Å |
| 95 | Y | 95 | Very high | 92.9 | Very high | 75 Ų | 75 | 32 Ų | 32 | 29% | 0.294 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 0.9 | -179.7 | -68.9 | -75 | 0 | 0 | 0 | 114.1 | E62 Q91 S93 | E62-Y95 HydrophobicContact CB-CD2 4.2Å; E62-Y95 HydrophobicContact CB-CE2 3.89Å; E62-Y95 HydrophobicContact CG-CD2 4.23Å; E62-Y95 HydrophobicContact CG-CE1 4.18Å; E62-Y95 HydrophobicContact CG-CE2 3.65Å; Q91-Y95 HydrophobicContact CG-CD2 4.07Å; Q91-Y95 HydrophobicContact CG-CE2 4.05Å; Q91-Y95 VanDerWaalsContact O-CD2 3.31Å; Q91-Y95 WeakPolarHBondContact O-CD2 3.41Å; Q91-Y95 PolarHBondContact O-N 2.81Å; Q91-Y95 VanDerWaalsContact O-N 3.16Å; S93-Y95 VanDerWaalsContact C-N 3.26Å; S93-Y95 PolarHBondContact O-N 3.48Å |
| 96 | G | 96.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 6% | 0.062 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 49.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A92 S93 Y133 T136 | A92-G96 PolarHBondContact O-N 3.48Å; S93-G96 PolarHBondContact O-N 3.44Å; G96-Y133 VanDerWaalsContact N-CE1 3.31Å; G96-T136 VanDerWaalsContact CA-OG1 3.3Å; G96-T136 WeakPolarHBondContact CA-OG1 3.21Å; G96-T136 PolarHBondContact O-OG1 2.82Å |
| 97 | R | 97.1 | Very high | 95.3 | Very high | 83 Ų | 83 | 35.9 Ų | 35.9 | 31% | 0.313 | 17% | 0.168 | S | C | . | . | trans | -101 | 76 | -178.4 | -54.3 | -59.3 | -168.5 | -176.2 | 1.3 | 111.1 | E62 L63 A92 D99 I100 A101 T136 | E62-R97 PolarHBondContact O-NH2 2.98Å; L63-R97 PolarHBondContact O-NH2 3.2Å; A92-R97 HydrophobicContact CB-CB 4.3Å; A92-R97 PolarHBondContact O-N 3.09Å; R97-D99 PolarHBondContact O-N 3.24Å; R97-I100 HydrophobicContact CB-CB 3.91Å; R97-I100 HydrophobicContact CB-CD1 4.11Å; R97-I100 HydrophobicContact CB-CG1 4.33Å; R97-I100 HydrophobicContact CG-CD1 4.39Å; R97-I100 PolarHBondContact O-N 3.41Å; R97-A101 WeakPolarHBondContact O-CB 3.45Å; R97-A101 PolarHBondContact O-N 3.46Å; R97-T136 PolarHBondContact N-OG1 3.03Å | ||
| 98 | A | 97.5 | Very high | 95.4 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -48.7 | -59.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I100 A101 E102 D135 T136 I139 | A98-I100 VanDerWaalsContact C-N 3.26Å; A98-I100 PolarHBondContact O-N 3.07Å; A98-A101 WeakPolarHBondContact O-CB 3.43Å; A98-A101 PolarHBondContact O-N 3Å; A98-A101 VanDerWaalsContact O-N 3.15Å; A98-E102 PolarHBondContact O-N 3.12Å; A98-D135 HydrophobicContact CB-CB 4.17Å; A98-T136 PolarHBondContact N-OG1 3.18Å; A98-I139 HydrophobicContact CB-CD1 3.61Å; A98-I139 WeakPolarHBondContact O-CD1 3.39Å |
| 99 | D | 97.8 | Very high | 95.5 | Very high | 107 Ų | 107 | 34.5 Ų | 34.5 | 57% | 0.572 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -61.9 | -33.8 | -177.7 | -57.3 | -21.7 | 0 | 0 | 0 | 113.3 | L66 R97 L103 | L66-D99 HydrophobicContact CD1-CB 4.28Å; L66-D99 HydrophobicContact CD2-CB 4.28Å; R97-D99 PolarHBondContact O-N 3.24Å; D99-L103 WeakPolarHBondContact O-CB 3.42Å; D99-L103 PolarHBondContact O-N 3.02Å |
| 100 | I | 97.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -74.3 | -40.7 | 178.8 | -66.5 | 176.6 | 0 | 0 | 0 | 110 | V61 L66 V69 A92 R97 A98 E102 L103 L104 | V61-I100 HydrophobicContact CB-CG2 4.33Å; V61-I100 HydrophobicContact CG1-CG2 4.01Å; V61-I100 HydrophobicContact CG2-CG2 3.82Å; L66-I100 HydrophobicContact CB-CG1 4.32Å; L66-I100 HydrophobicContact CD1-CG1 3.81Å; V69-I100 HydrophobicContact CG1-CG2 4.31Å; V69-I100 HydrophobicContact CG2-CD1 4.27Å; V69-I100 HydrophobicContact CG2-CG2 4.3Å; A92-I100 HydrophobicContact CB-CG2 4.18Å; R97-I100 HydrophobicContact CB-CB 3.91Å; R97-I100 HydrophobicContact CB-CD1 4.11Å; R97-I100 HydrophobicContact CB-CG1 4.33Å; R97-I100 HydrophobicContact CG-CD1 4.39Å; R97-I100 PolarHBondContact O-N 3.41Å; A98-I100 VanDerWaalsContact C-N 3.26Å; A98-I100 PolarHBondContact O-N 3.07Å; I100-E102 VanDerWaalsContact C-N 3.34Å; I100-L103 PolarHBondContact O-N 3.47Å; I100-L104 HydrophobicContact CG2-CD1 3.91Å; I100-L104 HydrophobicContact CG2-CG 4.3Å; I100-L104 WeakPolarHBondContact O-CB 3.34Å; I100-L104 VanDerWaalsContact O-CG 3.25Å; I100-L104 WeakPolarHBondContact O-CG 3.38Å; I100-L104 PolarHBondContact O-N 2.9Å |
| 101 | A | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | L89 A92 R97 A98 L103 L104 I105 T136 | L89-A101 HydrophobicContact CD1-CB 3.92Å; A92-A101 HydrophobicContact CB-CB 4.04Å; R97-A101 WeakPolarHBondContact O-CB 3.45Å; R97-A101 PolarHBondContact O-N 3.46Å; A98-A101 WeakPolarHBondContact O-CB 3.43Å; A98-A101 PolarHBondContact O-N 3Å; A98-A101 VanDerWaalsContact O-N 3.15Å; A101-L103 PolarHBondContact O-N 3.08Å; A101-L104 PolarHBondContact O-N 3.02Å; A101-I105 VanDerWaalsContact O-CG1 3.31Å; A101-I105 WeakPolarHBondContact O-CG1 3.2Å; A101-I105 PolarHBondContact O-N 3.13Å; A101-T136 HydrophobicContact CB-CG2 4.29Å |
| 102 | E | 97.9 | Very high | 95.2 | Very high | 35 Ų | 35 | 41.6 Ų | 41.6 | 16% | 0.164 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 175.5 | -177.4 | 161.5 | -144.4 | 0 | 0 | 111.9 | A98 I100 L104 I105 R106 I139 K142 Y143 | A98-E102 PolarHBondContact O-N 3.12Å; I100-E102 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 2.93Å; E102-I105 PolarHBondContact O-N 2.7Å; E102-R106 VanDerWaalsContact CD-NH2 3.31Å; E102-R106 WeakPolarHBondContact O-CB 3.28Å; E102-R106 VanDerWaalsContact O-CG 3.31Å; E102-R106 WeakPolarHBondContact O-CG 3.42Å; E102-R106 PolarHBondContact O-N 3.19Å; E102-R106 IonicContact OE1-CZ 3.48Å; E102-R106 IonicContact OE1-NE 3.59Å; E102-R106 IonicContact OE1-NH2 2.7Å; E102-R106 PolarHBondContact OE1-NH2 3.27Å; E102-R106 IonicContact OE2-NH2 3.51Å; E102-I139 HydrophobicContact CB-CD1 4.23Å; E102-I139 HydrophobicContact CB-CG2 3.79Å; E102-K142 IonicContact OE1-NZ 3.09Å; E102-K142 PolarHBondContact OE1-NZ 3.32Å; E102-K142 VanDerWaalsContact OE1-NZ 3.09Å; E102-Y143 HydrophobicContact CB-CE2 4.48Å; E102-Y143 HydrophobicContact CG-CE2 3.79Å; E102-Y143 PolarHBondContact OE1-OH 3.38Å |
| 103 | L | 97 | Very high | 94.9 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 20% | 0.199 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 176.1 | 178.3 | 66.1 | 0 | 0 | 0 | 111.9 | L66 V69 K70 I73 D99 I100 A101 R106 S107 | L66-L103 HydrophobicContact CD1-CB 4.46Å; L66-L103 HydrophobicContact CD1-CD2 3.85Å; V69-L103 HydrophobicContact CB-CD2 4.39Å; V69-L103 HydrophobicContact CG1-CD2 3.82Å; K70-L103 HydrophobicContact CB-CD2 4.46Å; K70-L103 HydrophobicContact CG-CD1 4.31Å; K70-L103 HydrophobicContact CG-CD2 3.46Å; K70-L103 VanDerWaalsContact CG-CD2 3.46Å; I73-L103 HydrophobicContact CD1-CD2 4.25Å; I73-L103 HydrophobicContact CD1-CG 4.2Å; D99-L103 WeakPolarHBondContact O-CB 3.42Å; D99-L103 PolarHBondContact O-N 3.02Å; I100-L103 PolarHBondContact O-N 3.47Å; A101-L103 PolarHBondContact O-N 3.08Å; L103-R106 PolarHBondContact O-N 2.87Å; L103-S107 WeakPolarHBondContact O-CB 3.38Å; L103-S107 PolarHBondContact O-N 2.86Å; L103-S107 PolarHBondContact O-OG 3.25Å |
| 104 | L | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | -179.7 | -72.5 | 168.6 | 0 | 0 | 0 | 111.5 | V61 I73 I79 P88 L89 A92 I100 A101 E102 S107 G108 A109 | V61-L104 HydrophobicContact CG2-CD1 4.24Å; I73-L104 HydrophobicContact CD1-CD2 3.98Å; I79-L104 HydrophobicContact CG2-CD2 4.12Å; P88-L104 HydrophobicContact CB-CD1 3.85Å; P88-L104 HydrophobicContact CB-CD2 3.89Å; P88-L104 WeakPolarHBondContact O-CD1 3.3Å; L89-L104 HydrophobicContact CD1-CB 4.36Å; A92-L104 HydrophobicContact CB-CD1 4.08Å; I100-L104 HydrophobicContact CG2-CD1 3.91Å; I100-L104 HydrophobicContact CG2-CG 4.3Å; I100-L104 WeakPolarHBondContact O-CB 3.34Å; I100-L104 VanDerWaalsContact O-CG 3.25Å; I100-L104 WeakPolarHBondContact O-CG 3.38Å; I100-L104 PolarHBondContact O-N 2.9Å; A101-L104 PolarHBondContact O-N 3.02Å; E102-L104 PolarHBondContact O-N 2.93Å; L104-S107 CarbonylContact O-C 3.45Å; L104-S107 WeakPolarHBondContact O-CA 3.27Å; L104-S107 PolarHBondContact O-N 3.49Å; L104-S107 VanDerWaalsContact O-N 3.1Å; L104-G108 PolarHBondContact O-N 3.48Å; L104-A109 HydrophobicContact CB-CB 4.03Å; L104-A109 WeakPolarHBondContact O-CB 3.39Å; L104-A109 PolarHBondContact O-N 3.13Å |
| 105 | I | 95.5 | Very high | 94.6 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 177.8 | -65.8 | 164.2 | 0 | 0 | 0 | 110.7 | L89 A101 E102 S107 G108 V111 L140 Y143 | L89-I105 HydrophobicContact CD1-CD1 4.08Å; L89-I105 HydrophobicContact CD1-CG1 3.85Å; L89-I105 HydrophobicContact CD2-CD1 4.39Å; L89-I105 HydrophobicContact CD2-CG1 3.89Å; A101-I105 VanDerWaalsContact O-CG1 3.31Å; A101-I105 WeakPolarHBondContact O-CG1 3.2Å; A101-I105 PolarHBondContact O-N 3.13Å; E102-I105 PolarHBondContact O-N 2.7Å; I105-S107 PolarHBondContact O-N 2.8Å; I105-G108 PolarHBondContact O-N 2.94Å; I105-V111 HydrophobicContact CD1-CG1 4.24Å; I105-V111 HydrophobicContact CG1-CG1 4.05Å; I105-V111 HydrophobicContact CG2-CG1 4.08Å; I105-L140 HydrophobicContact CD1-CD2 4.14Å; I105-Y143 HydrophobicContact CB-CG 4.46Å; I105-Y143 HydrophobicContact CD1-CD2 4.09Å; I105-Y143 HydrophobicContact CD1-CG 4.14Å; I105-Y143 HydrophobicContact CG2-CD1 3.56Å; I105-Y143 HydrophobicContact CG2-CD2 4.31Å; I105-Y143 HydrophobicContact CG2-CE1 4.13Å; I105-Y143 HydrophobicContact CG2-CG 3.67Å |
| 106 | R | 96.3 | Very high | 94.3 | Very high | 165 Ų | 165 | 47 Ų | 47 | 62% | 0.623 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.9 | -24.1 | 175.6 | -70.6 | -179.4 | -174 | -167.4 | 5.2 | 113.5 | E102 L103 G108 Y143 | E102-R106 VanDerWaalsContact CD-NH2 3.31Å; E102-R106 WeakPolarHBondContact O-CB 3.28Å; E102-R106 VanDerWaalsContact O-CG 3.31Å; E102-R106 WeakPolarHBondContact O-CG 3.42Å; E102-R106 PolarHBondContact O-N 3.19Å; E102-R106 IonicContact OE1-CZ 3.48Å; E102-R106 IonicContact OE1-NE 3.59Å; E102-R106 IonicContact OE1-NH2 2.7Å; E102-R106 PolarHBondContact OE1-NH2 3.27Å; E102-R106 IonicContact OE2-NH2 3.51Å; L103-R106 PolarHBondContact O-N 2.87Å; R106-G108 VanDerWaalsContact C-N 3.27Å; R106-Y143 PolarHBondContact NE-OH 2.97Å |
| 107 | S | 94.8 | Very high | 93.9 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 33% | 0.329 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 4.8 | 175.6 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | I79 L103 L104 I105 | I79-S107 WeakPolarHBondContact CD1-O 3.32Å; L103-S107 WeakPolarHBondContact O-CB 3.38Å; L103-S107 PolarHBondContact O-N 2.86Å; L103-S107 PolarHBondContact O-OG 3.25Å; L104-S107 CarbonylContact O-C 3.45Å; L104-S107 WeakPolarHBondContact O-CA 3.27Å; L104-S107 PolarHBondContact O-N 3.49Å; L104-S107 VanDerWaalsContact O-N 3.1Å; I105-S107 PolarHBondContact O-N 2.8Å |
| 108 | G | 92.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | 14.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y80 L104 I105 R106 S110 | Y80-G108 PolarHBondContact OH-O 2.96Å; L104-G108 PolarHBondContact O-N 3.48Å; I105-G108 PolarHBondContact O-N 2.94Å; R106-G108 VanDerWaalsContact C-N 3.27Å; G108-S110 PolarHBondContact O-N 3.34Å |
| 109 | A | 92.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | trans | -60 | 132.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I79 L89 L104 V111 | I79-A109 HydrophobicContact CG2-CB 3.65Å; L89-A109 HydrophobicContact CB-CB 4.26Å; L89-A109 HydrophobicContact CD2-CB 4.23Å; L104-A109 HydrophobicContact CB-CB 4.03Å; L104-A109 WeakPolarHBondContact O-CB 3.39Å; L104-A109 PolarHBondContact O-N 3.13Å; A109-V111 PolarHBondContact O-N 3.38Å | ||
| 110 | S | 91.1 | Very high | 93.3 | Very high | 41 Ų | 41 | 53.2 Ų | 53.2 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | trans | -68.5 | 119.3 | 177.3 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | G108 S112 A113 | G108-S110 PolarHBondContact O-N 3.34Å; S110-S112 VanDerWaalsContact C-N 3.31Å; S110-S112 PolarHBondContact OG-N 3.15Å; S110-S112 PolarHBondContact OG-OG 3.01Å; S110-S112 VanDerWaalsContact OG-OG 3.13Å; S110-A113 PolarHBondContact OG-N 3Å | ||
| 111 | V | 91.1 | Very high | 93.2 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -75.1 | -20.3 | 174.7 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | I105 A109 V145 | I105-V111 HydrophobicContact CD1-CG1 4.24Å; I105-V111 HydrophobicContact CG1-CG1 4.05Å; I105-V111 HydrophobicContact CG2-CG1 4.08Å; A109-V111 PolarHBondContact O-N 3.38Å; V111-V145 HydrophobicContact CB-CG2 3.82Å; V111-V145 HydrophobicContact CG1-CG2 3.97Å |
| 112 | S | 90.9 | Very high | 93.2 | Very high | 94 Ų | 94 | 53.2 Ų | 53.2 | 66% | 0.657 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -92.6 | -7.6 | -179.7 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | S110 | S110-S112 VanDerWaalsContact C-N 3.31Å; S110-S112 PolarHBondContact OG-N 3.15Å; S110-S112 PolarHBondContact OG-OG 3.01Å; S110-S112 VanDerWaalsContact OG-OG 3.13Å |
| 113 | A | 90.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | trans | -62.8 | 136.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y87 H90 S110 | Y87-A113 HydrophobicContact CD2-CB 3.74Å; Y87-A113 HydrophobicContact CE2-CB 3.73Å; H90-A113 PolarHBondContact CE1-O 3.29Å; H90-A113 PolarHBondContact NE2-O 2.89Å; S110-A113 PolarHBondContact OG-N 3Å | ||
| 114 | L | 91.1 | Very high | 93.1 | Very high | 66 Ų | 66 | 50.7 Ų | 50.7 | 35% | 0.346 | 26% | 0.259 | S | S | . | . | trans | -114.5 | 153 | 178.2 | -53.6 | 178.7 | 0 | 0 | 0 | 110.3 | R118 T149 | L114-R118 HydrophobicContact CD1-CB 4.2Å; L114-T149 HydrophobicContact CD1-CG2 4.17Å; L114-T149 HydrophobicContact CD2-CG2 3.81Å | ||
| 115 | T | 90.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 9% | 0.092 | 26% | 0.259 | C | S | . | . | trans | -69.5 | 173.8 | 169.3 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | R117 R118 Q119 L124 | T115-R117 PolarHBondContact O-N 3.35Å; T115-R117 VanDerWaalsContact O-N 3.1Å; T115-R117 PolarHBondContact OG1-N 3.19Å; T115-R118 WeakPolarHBondContact O-CA 2.85Å; T115-R118 PolarHBondContact O-N 3.31Å; T115-Q119 HydrophobicContact CG2-CB 4.48Å; T115-Q119 PolarHBondContact N-O 3.16Å; T115-Q119 VanDerWaalsContact OG1-CB 3.31Å; T115-Q119 WeakPolarHBondContact OG1-CB 3.05Å; T115-Q119 PolarHBondContact OG1-N 3.34Å; T115-Q119 VanDerWaalsContact OG1-N 3.15Å; T115-Q119 PolarHBondContact OG1-O 3.13Å; T115-L124 HydrophobicContact CG2-CD1 4.4Å | ||
| 116 | E | 87.7 | Confident | 93.1 | Very high | 136 Ų | 136 | 49.8 Ų | 49.8 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -27.1 | 174.6 | 66.4 | -177.7 | 169.5 | 0 | 0 | 114.1 | P85 R118 | P85-E116 HydrophobicContact CG-CB 3.66Å; P85-E116 HydrophobicContact CG-CG 3.6Å; P85-E116 WeakPolarHBondContact CG-OE2 3.37Å; E116-R118 VanDerWaalsContact C-N 3.26Å; E116-R118 PolarHBondContact O-N 3.37Å |
| 117 | R | 89.1 | Confident | 93.1 | Very high | 155 Ų | 155 | 46.6 Ų | 46.6 | 59% | 0.585 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 14.6 | 176.7 | -60.9 | -166.4 | -176.1 | -178.5 | -1.5 | 113.3 | T115 Q119 D151 D152 | T115-R117 PolarHBondContact O-N 3.35Å; T115-R117 VanDerWaalsContact O-N 3.1Å; T115-R117 PolarHBondContact OG1-N 3.19Å; R117-Q119 HydrophobicContact CB-CG 4.1Å; R117-Q119 PolarHBondContact O-N 2.94Å; R117-Q119 VanDerWaalsContact O-N 3.16Å; R117-D151 WeakPolarHBondContact O-CB 3.25Å; R117-D152 VanDerWaalsContact CA-OD2 3.27Å; R117-D152 WeakPolarHBondContact CA-OD2 3.46Å; R117-D152 PolarHBondContact O-N 2.91Å; R117-D152 VanDerWaalsContact O-N 3.1Å |
| 118 | R | 91.7 | Very high | 93.1 | Very high | 156 Ų | 156 | 47.6 Ų | 47.6 | 59% | 0.589 | 25% | 0.246 | S | C | * | . | trans | 57.3 | 24 | -172.1 | -58.7 | -172.4 | -178.7 | -149.7 | -6.4 | 114.7 | L114 T115 E116 D152 | L114-R118 HydrophobicContact CD1-CB 4.2Å; T115-R118 WeakPolarHBondContact O-CA 2.85Å; T115-R118 PolarHBondContact O-N 3.31Å; E116-R118 VanDerWaalsContact C-N 3.26Å; E116-R118 PolarHBondContact O-N 3.37Å; R118-D152 WeakPolarHBondContact CD-OD1 3.31Å; R118-D152 WeakPolarHBondContact CG-OD1 3.3Å; R118-D152 IonicContact NE-OD1 2.71Å; R118-D152 PolarHBondContact NE-OD1 2.85Å | ||
| 119 | Q | 93.8 | Very high | 93.2 | Very high | 30 Ų | 30 | 49.9 Ų | 49.9 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | trans | -80.8 | 131.1 | 177.6 | -64 | -177 | -27.6 | 0 | 0 | 110.7 | T115 R117 H123 D151 | T115-Q119 HydrophobicContact CG2-CB 4.48Å; T115-Q119 PolarHBondContact N-O 3.16Å; T115-Q119 VanDerWaalsContact OG1-CB 3.31Å; T115-Q119 WeakPolarHBondContact OG1-CB 3.05Å; T115-Q119 PolarHBondContact OG1-N 3.34Å; T115-Q119 VanDerWaalsContact OG1-N 3.15Å; T115-Q119 PolarHBondContact OG1-O 3.13Å; R117-Q119 HydrophobicContact CB-CG 4.1Å; R117-Q119 PolarHBondContact O-N 2.94Å; R117-Q119 VanDerWaalsContact O-N 3.16Å; Q119-H123 HydrophobicContact CB-CB 3.79Å; Q119-H123 HydrophobicContact CG-CB 4.15Å; Q119-D151 HydrophobicContact CG-CB 3.72Å; Q119-D151 PolarHBondContact NE2-OD2 3.29Å | ||
| 120 | S | 94.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | trans | -75.8 | 168 | 167.3 | 73.9 | 0 | 0 | 0 | 0 | 111.7 | L122 H123 | S120-L122 PolarHBondContact O-N 2.7Å; S120-H123 PolarHBondContact N-ND1 3.23Å; S120-H123 WeakPolarHBondContact O-CB 3.41Å; S120-H123 PolarHBondContact O-N 3.27Å; S120-H123 PolarHBondContact OG-ND1 3.27Å | ||
| 121 | C | 95.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.8 | -34.9 | 175 | -73.2 | 0 | 0 | 0 | 0 | 113.3 | H90 S93 H123 L124 L140 | H90-C121 PolarHBondContact CD2-SG 3.4Å; S93-C121 VanDerWaalsContact OG-CB 3.28Å; S93-C121 WeakPolarHBondContact OG-CB 3.45Å; C121-H123 PolarHBondContact O-N 2.94Å; C121-L124 PolarHBondContact O-N 3.48Å; C121-L140 HydrophobicContact CB-CD1 3.74Å; C121-L140 HydrophobicContact CB-CD2 4.06Å |
| 122 | L | 96.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.4 | -32.8 | 177.4 | -67.9 | 168 | 0 | 0 | 0 | 112.9 | S120 L124 L125 A126 A137 L140 L141 V145 P147 P157 L169 | S120-L122 PolarHBondContact O-N 2.7Å; L122-L124 VanDerWaalsContact C-N 3.29Å; L122-L124 PolarHBondContact O-N 3.04Å; L122-L125 PolarHBondContact O-N 3.27Å; L122-A126 WeakPolarHBondContact O-CB 3.41Å; L122-A126 PolarHBondContact O-N 2.9Å; L122-A137 HydrophobicContact CD2-CB 4.26Å; L122-L140 HydrophobicContact CD2-CB 4.12Å; L122-L140 HydrophobicContact CD2-CD1 4.05Å; L122-L140 HydrophobicContact CG-CD1 4.47Å; L122-L141 HydrophobicContact CD1-CD2 3.65Å; L122-L141 HydrophobicContact CD2-CD2 4.13Å; L122-L141 HydrophobicContact CD2-CG 4.42Å; L122-V145 HydrophobicContact CD1-CB 4.45Å; L122-V145 HydrophobicContact CD1-CG1 3.82Å; L122-V145 HydrophobicContact CG-CG1 3.91Å; L122-P147 HydrophobicContact CD1-CB 3.97Å; L122-P157 HydrophobicContact CB-CB 3.95Å; L122-P157 HydrophobicContact CB-CG 3.76Å; L122-L169 HydrophobicContact CD1-CD2 4.29Å; L122-L169 HydrophobicContact CD2-CD2 4.33Å |
| 123 | H | 96.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -37.9 | 175.7 | -71.3 | 88.7 | 0 | 0 | 0 | 112.1 | Q119 S120 C121 L125 A126 T149 L155 P157 | Q119-H123 HydrophobicContact CB-CB 3.79Å; Q119-H123 HydrophobicContact CG-CB 4.15Å; S120-H123 PolarHBondContact N-ND1 3.23Å; S120-H123 WeakPolarHBondContact O-CB 3.41Å; S120-H123 PolarHBondContact O-N 3.27Å; S120-H123 PolarHBondContact OG-ND1 3.27Å; C121-H123 PolarHBondContact O-N 2.94Å; H123-L125 PolarHBondContact O-N 3.44Å; H123-A126 PolarHBondContact O-N 3.45Å; H123-T149 PolarHBondContact CE1-O 2.95Å; H123-T149 PolarHBondContact NE2-O 3.01Å; H123-L155 PolarHBondContact NE2-O 3.32Å; H123-P157 VanDerWaalsContact CE1-CD 3.41Å; H123-P157 WeakPolarHBondContact CE1-CD 3.45Å; H123-P157 WeakPolarHBondContact NE2-CD 3.28Å |
| 124 | L | 94.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 54 Ų | 54 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67 | -26.6 | -175.5 | -60.8 | -178.8 | 0 | 0 | 0 | 112.9 | H90 T115 C121 L122 | H90-L124 HydrophobicContact CB-CD1 3.66Å; H90-L124 WeakPolarHBondContact O-CD1 3.21Å; T115-L124 HydrophobicContact CG2-CD1 4.4Å; C121-L124 PolarHBondContact O-N 3.48Å; L122-L124 VanDerWaalsContact C-N 3.29Å; L122-L124 PolarHBondContact O-N 3.04Å |
| 125 | L | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -104.5 | -6.7 | 177.4 | 63.5 | 76.7 | 0 | 0 | 0 | 113.6 | L122 H123 H127 Q128 Y133 T136 A137 L140 I165 | L122-L125 PolarHBondContact O-N 3.27Å; H123-L125 PolarHBondContact O-N 3.44Å; L125-H127 VanDerWaalsContact C-N 3.33Å; L125-H127 PolarHBondContact O-N 3.43Å; L125-Q128 WeakPolarHBondContact O-CB 3.49Å; L125-Q128 PolarHBondContact O-N 3.47Å; L125-Y133 HydrophobicContact CB-CD1 3.77Å; L125-Y133 HydrophobicContact CB-CG 4.43Å; L125-T136 HydrophobicContact CD2-CG2 4.04Å; L125-A137 HydrophobicContact CD1-CB 3.78Å; L125-A137 HydrophobicContact CD2-CB 4.17Å; L125-L140 HydrophobicContact CD2-CD1 3.76Å; L125-I165 HydrophobicContact CD1-CD1 3.78Å; L125-I165 HydrophobicContact CD1-CG1 4.34Å; L125-I165 HydrophobicContact CD1-CG2 4.3Å |
| 126 | A | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.4 | -45.9 | -171 | 0 | 0 | 0 | 0 | 0 | 112.7 | L122 H123 Q128 P157 R160 A161 S162 | L122-A126 WeakPolarHBondContact O-CB 3.41Å; L122-A126 PolarHBondContact O-N 2.9Å; H123-A126 PolarHBondContact O-N 3.45Å; A126-Q128 PolarHBondContact O-N 3.16Å; A126-P157 HydrophobicContact CB-CB 4.44Å; A126-R160 HydrophobicContact CB-CB 3.99Å; A126-A161 CarbonylContact O-C 3.57Å; A126-A161 VanDerWaalsContact O-CA 3.24Å; A126-A161 WeakPolarHBondContact O-CA 3.24Å; A126-S162 PolarHBondContact O-N 3.49Å; A126-S162 PolarHBondContact O-OG 3.38Å |
| 127 | H | 94.6 | Very high | 95.7 | Very high | 99 Ų | 99 | 46.6 Ų | 46.6 | 46% | 0.458 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -4.7 | -178.6 | -68.4 | -63.2 | 0 | 0 | 0 | 114.8 | L125 R160 | L125-H127 VanDerWaalsContact C-N 3.33Å; L125-H127 PolarHBondContact O-N 3.43Å; H127-R160 WeakPolarHBondContact CE1-CB 3.16Å; H127-R160 VanDerWaalsContact CE1-CG 3.49Å; H127-R160 WeakPolarHBondContact CE1-CG 3.43Å; H127-R160 PolarHBondContact CE1-O 3.3Å; H127-R160 PolarHBondContact ND1-O 3.06Å; H127-R160 WeakPolarHBondContact NE2-CB 3.47Å; H127-R160 WeakPolarHBondContact NE2-CD 3.28Å; H127-R160 WeakPolarHBondContact NE2-CG 3.5Å |
| 128 | Q | 96.8 | Very high | 96.1 | Very high | 68 Ų | 68 | 44.4 Ų | 44.4 | 32% | 0.318 | 21% | 0.209 | S | C | . | . | trans | -86.4 | 143.4 | -171.8 | -58.2 | -66.9 | -21.7 | 0 | 0 | 111.3 | L125 A126 Y133 S162 | L125-Q128 WeakPolarHBondContact O-CB 3.49Å; L125-Q128 PolarHBondContact O-N 3.47Å; A126-Q128 PolarHBondContact O-N 3.16Å; Q128-Y133 HydrophobicContact CB-CD1 3.88Å; Q128-Y133 HydrophobicContact CB-CD2 3.34Å; Q128-Y133 HydrophobicContact CB-CE1 4.22Å; Q128-Y133 HydrophobicContact CB-CE2 3.74Å; Q128-Y133 HydrophobicContact CB-CG 3.41Å; Q128-Y133 VanDerWaalsContact CB-CG 3.41Å; Q128-Y133 HydrophobicContact CG-CD1 3.8Å; Q128-Y133 HydrophobicContact CG-CD2 3.93Å; Q128-Y133 HydrophobicContact CG-CE1 3.75Å; Q128-Y133 HydrophobicContact CG-CE2 3.89Å; Q128-Y133 HydrophobicContact CG-CG 3.88Å; Q128-S162 WeakPolarHBondContact O-CB 3.35Å; Q128-S162 PolarHBondContact O-OG 3.24Å | ||
| 129 | T | 94.2 | Very high | 96.4 | Very high | 89 Ų | 89 | 38 Ų | 38 | 55% | 0.546 | 19% | 0.186 | S | C | . | . | trans | -105.8 | -16 | -176.2 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 130 | A | 95.8 | Very high | 96.5 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 30% | 0.298 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -75.3 | 143.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R132 Y133 | A130-R132 HydrophobicContact CB-CG 4.33Å; A130-R132 PolarHBondContact O-N 3.05Å; A130-R132 VanDerWaalsContact O-N 3.07Å; A130-Y133 HydrophobicContact CB-CD2 3.88Å; A130-Y133 HydrophobicContact CB-CE2 4.14Å; A130-Y133 WeakPolarHBondContact O-CB 3.28Å; A130-Y133 PolarHBondContact O-N 3.02Å |
| 131 | Q | 96.5 | Very high | 96.6 | Very high | 106 Ų | 106 | 36.9 Ų | 36.9 | 50% | 0.495 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -53.2 | -35.1 | -176.3 | -173.4 | 57.3 | 34.2 | 0 | 0 | 114.5 | Y133 V134 D135 | Q131-Y133 PolarHBondContact O-N 3.07Å; Q131-Y133 VanDerWaalsContact O-N 3.13Å; Q131-V134 VanDerWaalsContact NE2-CG1 3.32Å; Q131-V134 WeakPolarHBondContact O-CA 3.5Å; Q131-V134 VanDerWaalsContact O-CB 3.29Å; Q131-V134 WeakPolarHBondContact O-CB 3.49Å; Q131-V134 PolarHBondContact O-N 2.94Å; Q131-D135 PolarHBondContact NE2-OD1 3.2Å; Q131-D135 PolarHBondContact O-N 3.17Å |
| 132 | R | 96.9 | Very high | 96.6 | Very high | 131 Ų | 131 | 42.7 Ų | 42.7 | 49% | 0.494 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.9 | -31 | 177.1 | 67.7 | 176.4 | -179.6 | -116 | -1.3 | 113.5 | A130 T136 | A130-R132 HydrophobicContact CB-CG 4.33Å; A130-R132 PolarHBondContact O-N 3.05Å; A130-R132 VanDerWaalsContact O-N 3.07Å; R132-T136 WeakPolarHBondContact O-CB 3.18Å; R132-T136 PolarHBondContact O-N 3.42Å; R132-T136 VanDerWaalsContact O-N 3.08Å; R132-T136 PolarHBondContact O-OG1 3.12Å |
| 133 | Y | 98.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -77.6 | -37.1 | 177 | -64.8 | -76.1 | 0 | 0 | 0 | 111.5 | L94 G96 L125 Q128 A130 Q131 T136 A137 | L94-Y133 VanDerWaalsContact O-CE1 3.28Å; L94-Y133 WeakPolarHBondContact O-CE1 3.47Å; L94-Y133 PolarHBondContact O-OH 3.24Å; G96-Y133 VanDerWaalsContact N-CE1 3.31Å; L125-Y133 HydrophobicContact CB-CD1 3.77Å; L125-Y133 HydrophobicContact CB-CG 4.43Å; Q128-Y133 HydrophobicContact CB-CD1 3.88Å; Q128-Y133 HydrophobicContact CB-CD2 3.34Å; Q128-Y133 HydrophobicContact CB-CE1 4.22Å; Q128-Y133 HydrophobicContact CB-CE2 3.74Å; Q128-Y133 HydrophobicContact CB-CG 3.41Å; Q128-Y133 VanDerWaalsContact CB-CG 3.41Å; Q128-Y133 HydrophobicContact CG-CD1 3.8Å; Q128-Y133 HydrophobicContact CG-CD2 3.93Å; Q128-Y133 HydrophobicContact CG-CE1 3.75Å; Q128-Y133 HydrophobicContact CG-CE2 3.89Å; Q128-Y133 HydrophobicContact CG-CG 3.88Å; A130-Y133 HydrophobicContact CB-CD2 3.88Å; A130-Y133 HydrophobicContact CB-CE2 4.14Å; A130-Y133 WeakPolarHBondContact O-CB 3.28Å; A130-Y133 PolarHBondContact O-N 3.02Å; Q131-Y133 PolarHBondContact O-N 3.07Å; Q131-Y133 VanDerWaalsContact O-N 3.13Å; Y133-T136 PolarHBondContact O-N 3.4Å; Y133-A137 WeakPolarHBondContact O-CB 3.38Å; Y133-A137 PolarHBondContact O-N 3.31Å |
| 134 | V | 97.5 | Very high | 96.4 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 170.9 | 164.8 | 0 | 0 | 0 | 0 | 110.5 | Q131 T136 A137 K138 E164 I165 V168 | Q131-V134 VanDerWaalsContact NE2-CG1 3.32Å; Q131-V134 WeakPolarHBondContact O-CA 3.5Å; Q131-V134 VanDerWaalsContact O-CB 3.29Å; Q131-V134 WeakPolarHBondContact O-CB 3.49Å; Q131-V134 PolarHBondContact O-N 2.94Å; V134-T136 VanDerWaalsContact C-N 3.35Å; V134-T136 PolarHBondContact O-N 3.08Å; V134-A137 WeakPolarHBondContact O-CB 3.38Å; V134-A137 PolarHBondContact O-N 3.44Å; V134-K138 HydrophobicContact CG1-CD 4.42Å; V134-K138 WeakPolarHBondContact O-CG 3.45Å; V134-K138 PolarHBondContact O-N 3.37Å; V134-E164 HydrophobicContact CG2-CB 3.68Å; V134-I165 HydrophobicContact CG2-CD1 3.95Å; V134-V168 HydrophobicContact CB-CG2 4.41Å; V134-V168 HydrophobicContact CG1-CG2 3.66Å; V134-V168 HydrophobicContact CG2-CG2 4.46Å |
| 135 | D | 97.9 | Very high | 96.4 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 178.9 | -58.6 | -30.1 | 0 | 0 | 0 | 111.5 | A98 Q131 K138 I139 | A98-D135 HydrophobicContact CB-CB 4.17Å; Q131-D135 PolarHBondContact NE2-OD1 3.2Å; Q131-D135 PolarHBondContact O-N 3.17Å; D135-K138 PolarHBondContact O-N 2.9Å; D135-I139 PolarHBondContact O-N 3.09Å; D135-I139 VanDerWaalsContact O-N 3.13Å |
| 136 | T | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 174.4 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | G96 R97 A98 A101 L125 R132 Y133 V134 K138 I139 L140 | G96-T136 VanDerWaalsContact CA-OG1 3.3Å; G96-T136 WeakPolarHBondContact CA-OG1 3.21Å; G96-T136 PolarHBondContact O-OG1 2.82Å; R97-T136 PolarHBondContact N-OG1 3.03Å; A98-T136 PolarHBondContact N-OG1 3.18Å; A101-T136 HydrophobicContact CB-CG2 4.29Å; L125-T136 HydrophobicContact CD2-CG2 4.04Å; R132-T136 WeakPolarHBondContact O-CB 3.18Å; R132-T136 PolarHBondContact O-N 3.42Å; R132-T136 VanDerWaalsContact O-N 3.08Å; R132-T136 PolarHBondContact O-OG1 3.12Å; Y133-T136 PolarHBondContact O-N 3.4Å; V134-T136 VanDerWaalsContact C-N 3.35Å; V134-T136 PolarHBondContact O-N 3.08Å; T136-K138 PolarHBondContact O-N 3.34Å; T136-I139 PolarHBondContact O-N 3.06Å; T136-L140 HydrophobicContact CG2-CD1 4.3Å; T136-L140 HydrophobicContact CG2-CG 4.48Å; T136-L140 VanDerWaalsContact O-CG 3.32Å; T136-L140 WeakPolarHBondContact O-CG 3.23Å; T136-L140 PolarHBondContact O-N 2.81Å |
| 137 | A | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L122 L125 Y133 V134 I139 L140 L141 I165 V168 | L122-A137 HydrophobicContact CD2-CB 4.26Å; L125-A137 HydrophobicContact CD1-CB 3.78Å; L125-A137 HydrophobicContact CD2-CB 4.17Å; Y133-A137 WeakPolarHBondContact O-CB 3.38Å; Y133-A137 PolarHBondContact O-N 3.31Å; V134-A137 WeakPolarHBondContact O-CB 3.38Å; V134-A137 PolarHBondContact O-N 3.44Å; A137-I139 VanDerWaalsContact C-N 3.3Å; A137-I139 PolarHBondContact O-N 3.3Å; A137-L140 PolarHBondContact O-N 3.1Å; A137-L140 VanDerWaalsContact O-N 3.16Å; A137-L141 VanDerWaalsContact O-CG 3.32Å; A137-L141 WeakPolarHBondContact O-CG 3.32Å; A137-L141 PolarHBondContact O-N 3.46Å; A137-I165 HydrophobicContact CB-CD1 4.16Å; A137-V168 HydrophobicContact CB-CG1 4.14Å |
| 138 | K | 97.6 | Very high | 96.3 | Very high | 109 Ų | 109 | 52.8 Ų | 52.8 | 47% | 0.474 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57 | -42.1 | 176 | -71.7 | 172.1 | -177.3 | 173.3 | 0 | 112.3 | V134 D135 T136 K142 V168 | V134-K138 HydrophobicContact CG1-CD 4.42Å; V134-K138 WeakPolarHBondContact O-CG 3.45Å; V134-K138 PolarHBondContact O-N 3.37Å; D135-K138 PolarHBondContact O-N 2.9Å; T136-K138 PolarHBondContact O-N 3.34Å; K138-K142 WeakPolarHBondContact O-CB 3.3Å; K138-K142 PolarHBondContact O-N 3.46Å; K138-V168 HydrophobicContact CG-CG1 3.89Å |
| 139 | I | 97.1 | Very high | 96.2 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -47 | 175.7 | -69.6 | 179.8 | 0 | 0 | 0 | 111 | A98 E102 D135 T136 A137 L141 K142 Y143 | A98-I139 HydrophobicContact CB-CD1 3.61Å; A98-I139 WeakPolarHBondContact O-CD1 3.39Å; E102-I139 HydrophobicContact CB-CD1 4.23Å; E102-I139 HydrophobicContact CB-CG2 3.79Å; D135-I139 PolarHBondContact O-N 3.09Å; D135-I139 VanDerWaalsContact O-N 3.13Å; T136-I139 PolarHBondContact O-N 3.06Å; A137-I139 VanDerWaalsContact C-N 3.3Å; A137-I139 PolarHBondContact O-N 3.3Å; I139-L141 VanDerWaalsContact C-N 3.3Å; I139-L141 PolarHBondContact O-N 2.84Å; I139-K142 WeakPolarHBondContact O-CB 3.45Å; I139-K142 PolarHBondContact O-N 3.38Å; I139-Y143 HydrophobicContact CG2-CD2 4.02Å; I139-Y143 HydrophobicContact CG2-CE2 4.22Å; I139-Y143 VanDerWaalsContact O-CD2 3.31Å; I139-Y143 WeakPolarHBondContact O-CD2 3.42Å; I139-Y143 PolarHBondContact O-N 2.92Å; I139-Y143 VanDerWaalsContact O-N 3.13Å |
| 140 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -43.5 | 178.6 | -68.6 | 173.5 | 0 | 0 | 0 | 111.5 | L89 I105 C121 L122 L125 T136 A137 Y143 H144 V145 | L89-L140 HydrophobicContact CD1-CD2 4.16Å; I105-L140 HydrophobicContact CD1-CD2 4.14Å; C121-L140 HydrophobicContact CB-CD1 3.74Å; C121-L140 HydrophobicContact CB-CD2 4.06Å; L122-L140 HydrophobicContact CD2-CB 4.12Å; L122-L140 HydrophobicContact CD2-CD1 4.05Å; L122-L140 HydrophobicContact CG-CD1 4.47Å; L125-L140 HydrophobicContact CD2-CD1 3.76Å; T136-L140 HydrophobicContact CG2-CD1 4.3Å; T136-L140 HydrophobicContact CG2-CG 4.48Å; T136-L140 VanDerWaalsContact O-CG 3.32Å; T136-L140 WeakPolarHBondContact O-CG 3.23Å; T136-L140 PolarHBondContact O-N 2.81Å; A137-L140 PolarHBondContact O-N 3.1Å; A137-L140 VanDerWaalsContact O-N 3.16Å; L140-Y143 CarbonylContact O-C 3.51Å; L140-Y143 PolarHBondContact O-N 2.94Å; L140-H144 PolarHBondContact O-N 3.4Å; L140-V145 HydrophobicContact CB-CB 4.07Å; L140-V145 HydrophobicContact CB-CG2 3.85Å; L140-V145 HydrophobicContact CD2-CG2 3.97Å; L140-V145 HydrophobicContact CG-CG2 4.47Å; L140-V145 VanDerWaalsContact O-CB 3.31Å; L140-V145 WeakPolarHBondContact O-CB 3.34Å; L140-V145 VanDerWaalsContact O-CG2 3.23Å; L140-V145 WeakPolarHBondContact O-CG2 3.47Å; L140-V145 PolarHBondContact O-N 3.17Å |
| 141 | L | 95.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | 176.9 | -66.2 | -176.4 | 0 | 0 | 0 | 112.7 | L122 A137 I139 Y143 H144 P147 V168 L169 H172 | L122-L141 HydrophobicContact CD1-CD2 3.65Å; L122-L141 HydrophobicContact CD2-CD2 4.13Å; L122-L141 HydrophobicContact CD2-CG 4.42Å; A137-L141 VanDerWaalsContact O-CG 3.32Å; A137-L141 WeakPolarHBondContact O-CG 3.32Å; A137-L141 PolarHBondContact O-N 3.46Å; I139-L141 VanDerWaalsContact C-N 3.3Å; I139-L141 PolarHBondContact O-N 2.84Å; L141-Y143 PolarHBondContact O-N 3.34Å; L141-Y143 VanDerWaalsContact O-N 3.17Å; L141-H144 PolarHBondContact O-N 3.44Å; L141-P147 HydrophobicContact CD2-CB 4.22Å; L141-V168 HydrophobicContact CD1-CG1 3.85Å; L141-L169 HydrophobicContact CD1-CD2 4.21Å; L141-L169 HydrophobicContact CD2-CD2 4.36Å; L141-H172 HydrophobicContact CD1-CB 3.89Å |
| 142 | K | 95.9 | Very high | 96.1 | Very high | 124 Ų | 124 | 47.2 Ų | 47.2 | 54% | 0.539 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -55.1 | -32.3 | 172.7 | 175.6 | -171.1 | 173.3 | -167 | 0 | 112.2 | E102 K138 I139 | E102-K142 IonicContact OE1-NZ 3.09Å; E102-K142 PolarHBondContact OE1-NZ 3.32Å; E102-K142 VanDerWaalsContact OE1-NZ 3.09Å; K138-K142 WeakPolarHBondContact O-CB 3.3Å; K138-K142 PolarHBondContact O-N 3.46Å; I139-K142 WeakPolarHBondContact O-CB 3.45Å; I139-K142 PolarHBondContact O-N 3.38Å |
| 143 | Y | 96.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 45.5 Ų | 45.5 | 22% | 0.22 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 26.6 | 177 | -74.2 | -77.2 | 0 | 0 | 0 | 113.4 | E102 I105 R106 I139 L140 L141 V145 | E102-Y143 HydrophobicContact CB-CE2 4.48Å; E102-Y143 HydrophobicContact CG-CE2 3.79Å; E102-Y143 PolarHBondContact OE1-OH 3.38Å; I105-Y143 HydrophobicContact CB-CG 4.46Å; I105-Y143 HydrophobicContact CD1-CD2 4.09Å; I105-Y143 HydrophobicContact CD1-CG 4.14Å; I105-Y143 HydrophobicContact CG2-CD1 3.56Å; I105-Y143 HydrophobicContact CG2-CD2 4.31Å; I105-Y143 HydrophobicContact CG2-CE1 4.13Å; I105-Y143 HydrophobicContact CG2-CG 3.67Å; R106-Y143 PolarHBondContact NE-OH 2.97Å; I139-Y143 HydrophobicContact CG2-CD2 4.02Å; I139-Y143 HydrophobicContact CG2-CE2 4.22Å; I139-Y143 VanDerWaalsContact O-CD2 3.31Å; I139-Y143 WeakPolarHBondContact O-CD2 3.42Å; I139-Y143 PolarHBondContact O-N 2.92Å; I139-Y143 VanDerWaalsContact O-N 3.13Å; L140-Y143 CarbonylContact O-C 3.51Å; L140-Y143 PolarHBondContact O-N 2.94Å; L141-Y143 PolarHBondContact O-N 3.34Å; L141-Y143 VanDerWaalsContact O-N 3.17Å; Y143-V145 VanDerWaalsContact C-N 3.27Å; Y143-V145 PolarHBondContact O-N 3.42Å |
| 144 | H | 92.7 | Very high | 95.8 | Very high | 149 Ų | 149 | 45.2 Ų | 45.2 | 69% | 0.69 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 30.3 | 172.1 | -52.1 | -68.3 | 0 | 0 | 0 | 115.2 | L140 L141 N146 | L140-H144 PolarHBondContact O-N 3.4Å; L141-H144 PolarHBondContact O-N 3.44Å; H144-N146 PolarHBondContact O-N 3.43Å |
| 145 | V | 95 | Very high | 95.7 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | trans | -62.8 | 122.5 | 166.9 | 175.5 | 0 | 0 | 0 | 0 | 108.2 | V111 L122 L140 Y143 P147 | V111-V145 HydrophobicContact CB-CG2 3.82Å; V111-V145 HydrophobicContact CG1-CG2 3.97Å; L122-V145 HydrophobicContact CD1-CB 4.45Å; L122-V145 HydrophobicContact CD1-CG1 3.82Å; L122-V145 HydrophobicContact CG-CG1 3.91Å; L140-V145 HydrophobicContact CB-CB 4.07Å; L140-V145 HydrophobicContact CB-CG2 3.85Å; L140-V145 HydrophobicContact CD2-CG2 3.97Å; L140-V145 HydrophobicContact CG-CG2 4.47Å; L140-V145 VanDerWaalsContact O-CB 3.31Å; L140-V145 WeakPolarHBondContact O-CB 3.34Å; L140-V145 VanDerWaalsContact O-CG2 3.23Å; L140-V145 WeakPolarHBondContact O-CG2 3.47Å; L140-V145 PolarHBondContact O-N 3.17Å; Y143-V145 VanDerWaalsContact C-N 3.27Å; Y143-V145 PolarHBondContact O-N 3.42Å; V145-P147 VanDerWaalsContact O-CD 3.22Å; V145-P147 WeakPolarHBondContact O-CD 3.49Å | ||
| 146 | N | 94.2 | Very high | 95.7 | Very high | 82 Ų | 82 | 43.9 Ų | 43.9 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | trans | -64.5 | 115.9 | -175.5 | -174.8 | -2.8 | 0 | 0 | 0 | 111.3 | H144 N148 T149 | H144-N146 PolarHBondContact O-N 3.43Å; N146-N148 PolarHBondContact O-N 3.42Å; N146-N148 WeakPolarHBondContact OD1-CA 3.11Å; N146-N148 VanDerWaalsContact OD1-CB 3.31Å; N146-N148 WeakPolarHBondContact OD1-CB 3.22Å; N146-N148 PolarHBondContact OD1-N 3.26Å; N146-T149 PolarHBondContact O-OG1 2.8Å | ||
| 147 | P | 95.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -7.8 | 176.8 | 32.7 | -36 | 0 | 0 | 0 | 113.7 | L122 L141 V145 P157 L169 T175 | L122-P147 HydrophobicContact CD1-CB 3.97Å; L141-P147 HydrophobicContact CD2-CB 4.22Å; V145-P147 VanDerWaalsContact O-CD 3.22Å; V145-P147 WeakPolarHBondContact O-CD 3.49Å; P147-P157 VanDerWaalsContact O-CD 3.23Å; P147-P157 WeakPolarHBondContact O-CD 3.45Å; P147-L169 HydrophobicContact CB-CD2 4.1Å; P147-T175 HydrophobicContact CB-CG2 4.39Å; P147-T175 WeakPolarHBondContact CG-OG1 3.37Å |
| 148 | N | 95.9 | Very high | 95.6 | Very high | 42 Ų | 42 | 44 Ų | 44 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 5.3 | -172.8 | -56.8 | -32.6 | 0 | 0 | 0 | 113.2 | N146 L150 T174 D176 I179 | N146-N148 PolarHBondContact O-N 3.42Å; N146-N148 WeakPolarHBondContact OD1-CA 3.11Å; N146-N148 VanDerWaalsContact OD1-CB 3.31Å; N146-N148 WeakPolarHBondContact OD1-CB 3.22Å; N146-N148 PolarHBondContact OD1-N 3.26Å; N148-L150 PolarHBondContact O-N 3.13Å; N148-T174 PolarHBondContact ND2-O 3.22Å; N148-D176 PolarHBondContact OD1-N 3.22Å; N148-I179 HydrophobicContact CB-CD1 3.7Å; N148-I179 VanDerWaalsContact O-CD1 3.25Å; N148-I179 WeakPolarHBondContact O-CD1 3.31Å |
| 149 | T | 95.4 | Very high | 95.6 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 17% | 0.172 | 20% | 0.197 | C | C | . | . | trans | -60.6 | 133.6 | 174.9 | -57.5 | 0 | 0 | 0 | 0 | 110 | L114 H123 N146 A156 P157 | L114-T149 HydrophobicContact CD1-CG2 4.17Å; L114-T149 HydrophobicContact CD2-CG2 3.81Å; H123-T149 PolarHBondContact CE1-O 2.95Å; H123-T149 PolarHBondContact NE2-O 3.01Å; N146-T149 PolarHBondContact O-OG1 2.8Å; T149-A156 WeakPolarHBondContact O-CA 3.33Å; T149-P157 WeakPolarHBondContact O-CD 3.21Å | ||
| 150 | L | 95.6 | Very high | 95.5 | Very high | 70 Ų | 70 | 39.3 Ų | 39.3 | 37% | 0.366 | 20% | 0.195 | S | C | . | . | trans | -96.3 | 134.8 | 171.3 | -58.3 | -178.5 | 0 | 0 | 0 | 109.7 | N148 A156 I179 | N148-L150 PolarHBondContact O-N 3.13Å; L150-A156 HydrophobicContact CD2-CB 3.84Å; L150-I179 HydrophobicContact CD2-CD1 3.99Å; L150-I179 HydrophobicContact CD2-CG1 4.29Å | ||
| 151 | D | 94.7 | Very high | 95.5 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | trans | -84.9 | -174.1 | 172.4 | 79.3 | -21.8 | 0 | 0 | 0 | 112.6 | R117 Q119 D153 G154 L155 R160 | R117-D151 WeakPolarHBondContact O-CB 3.25Å; Q119-D151 HydrophobicContact CG-CB 3.72Å; Q119-D151 PolarHBondContact NE2-OD2 3.29Å; D151-D153 PolarHBondContact O-N 2.93Å; D151-D153 PolarHBondContact OD1-N 2.91Å; D151-G154 VanDerWaalsContact O-CA 3.29Å; D151-G154 WeakPolarHBondContact O-CA 3.45Å; D151-G154 PolarHBondContact O-N 3.4Å; D151-G154 PolarHBondContact OD1-N 3.07Å; D151-L155 PolarHBondContact N-O 3.34Å; D151-L155 PolarHBondContact OD1-N 3.48Å; D151-L155 VanDerWaalsContact OD1-N 3.13Å; D151-L155 VanDerWaalsContact OD1-O 3.11Å; D151-R160 IonicContact OD1-CZ 2.76Å; D151-R160 IonicContact OD1-NH1 2.73Å; D151-R160 PolarHBondContact OD1-NH1 3.16Å; D151-R160 IonicContact OD1-NH2 3.6Å; D151-R160 PolarHBondContact OD1-NH2 3.24Å; D151-R160 IonicContact OD2-CZ 3.31Å; D151-R160 IonicContact OD2-NH1 3.23Å; D151-R160 PolarHBondContact OD2-NH1 3.41Å; D151-R160 IonicContact OD2-NH2 3.07Å; D151-R160 PolarHBondContact OD2-NH2 3.32Å | ||
| 152 | D | 94.1 | Very high | 95.5 | Very high | 76 Ų | 76 | 39.5 Ų | 39.5 | 41% | 0.406 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25.7 | -176.9 | -77.5 | -21.8 | 0 | 0 | 0 | 114.3 | R117 R118 G154 R182 | R117-D152 VanDerWaalsContact CA-OD2 3.27Å; R117-D152 WeakPolarHBondContact CA-OD2 3.46Å; R117-D152 PolarHBondContact O-N 2.91Å; R117-D152 VanDerWaalsContact O-N 3.1Å; R118-D152 WeakPolarHBondContact CD-OD1 3.31Å; R118-D152 WeakPolarHBondContact CG-OD1 3.3Å; R118-D152 IonicContact NE-OD1 2.71Å; R118-D152 PolarHBondContact NE-OD1 2.85Å; D152-G154 PolarHBondContact O-N 3.45Å; D152-R182 PolarHBondContact O-NH1 3.33Å |
| 153 | D | 92.3 | Very high | 95.6 | Very high | 95 Ų | 95 | 35.6 Ų | 35.6 | 51% | 0.508 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -9.2 | 171.1 | -63.6 | -30.2 | 0 | 0 | 0 | 111.2 | D151 L155 R160 | D151-D153 PolarHBondContact O-N 2.93Å; D151-D153 PolarHBondContact OD1-N 2.91Å; D153-L155 HydrophobicContact CB-CD1 4.24Å; D153-L155 HydrophobicContact CB-CG 4.32Å; D153-R160 IonicContact OD2-CZ 3.31Å; D153-R160 IonicContact OD2-NH2 3.98Å; D153-R160 PolarHBondContact OD2-NH2 2.86Å |
| 154 | G | 94.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 78.4 | 25.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D151 D152 S181 R182 | D151-G154 VanDerWaalsContact O-CA 3.29Å; D151-G154 WeakPolarHBondContact O-CA 3.45Å; D151-G154 PolarHBondContact O-N 3.4Å; D151-G154 PolarHBondContact OD1-N 3.07Å; D152-G154 PolarHBondContact O-N 3.45Å; G154-S181 CarbonylContact O-C 3.5Å; G154-S181 WeakPolarHBondContact O-CA 3.38Å; G154-S181 VanDerWaalsContact O-CB 3.23Å; G154-S181 WeakPolarHBondContact O-CB 3.4Å; G154-R182 PolarHBondContact O-N 2.88Å |
| 155 | L | 96.8 | Very high | 95.7 | Very high | 41 Ų | 41 | 29.1 Ų | 29.1 | 22% | 0.215 | 16% | 0.156 | C | C | . | . | trans | -115.1 | 130.7 | -175.2 | -66.8 | 175.3 | 0 | 0 | 0 | 110.1 | H123 D151 D153 H159 R160 | H123-L155 PolarHBondContact NE2-O 3.32Å; D151-L155 PolarHBondContact N-O 3.34Å; D151-L155 PolarHBondContact OD1-N 3.48Å; D151-L155 VanDerWaalsContact OD1-N 3.13Å; D151-L155 VanDerWaalsContact OD1-O 3.11Å; D153-L155 HydrophobicContact CB-CD1 4.24Å; D153-L155 HydrophobicContact CB-CG 4.32Å; L155-H159 HydrophobicContact CB-CB 4.25Å; L155-H159 HydrophobicContact CD2-CB 4.01Å; L155-R160 VanDerWaalsContact CB-NH1 3.32Å; L155-R160 PolarHBondContact O-NH1 2.88Å | ||
| 156 | A | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -72.5 | 161.4 | 170 | 0 | 0 | 0 | 0 | 0 | 112.2 | T149 L150 L158 H159 I179 | T149-A156 WeakPolarHBondContact O-CA 3.33Å; L150-A156 HydrophobicContact CD2-CB 3.84Å; A156-L158 PolarHBondContact O-N 3.42Å; A156-L158 VanDerWaalsContact O-N 3.14Å; A156-H159 WeakPolarHBondContact CB-ND1 3.47Å; A156-H159 PolarHBondContact N-ND1 3.14Å; A156-H159 WeakPolarHBondContact O-CB 3.24Å; A156-H159 PolarHBondContact O-N 3.45Å; A156-H159 PolarHBondContact O-ND1 3.07Å; A156-I179 HydrophobicContact CB-CD1 3.9Å; A156-I179 HydrophobicContact CB-CG1 4.39Å; A156-I179 HydrophobicContact CB-CG2 3.9Å | ||
| 157 | P | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -50.4 | -39.1 | 173.6 | -25 | 32.5 | 0 | 0 | 0 | 113.1 | L122 H123 A126 P147 T149 H159 R160 A161 L169 | L122-P157 HydrophobicContact CB-CB 3.95Å; L122-P157 HydrophobicContact CB-CG 3.76Å; H123-P157 VanDerWaalsContact CE1-CD 3.41Å; H123-P157 WeakPolarHBondContact CE1-CD 3.45Å; H123-P157 WeakPolarHBondContact NE2-CD 3.28Å; A126-P157 HydrophobicContact CB-CB 4.44Å; P147-P157 VanDerWaalsContact O-CD 3.23Å; P147-P157 WeakPolarHBondContact O-CD 3.45Å; T149-P157 WeakPolarHBondContact O-CD 3.21Å; P157-H159 VanDerWaalsContact C-N 3.3Å; P157-H159 PolarHBondContact O-N 2.92Å; P157-R160 CarbonylContact O-C 3.56Å; P157-R160 PolarHBondContact O-N 3.2Å; P157-A161 PolarHBondContact O-N 2.96Å; P157-L169 HydrophobicContact CB-CD1 4.16Å |
| 158 | L | 96.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.1 | -31 | -178.5 | -170.4 | 57.7 | 0 | 0 | 0 | 113.3 | A156 R160 A161 V166 L169 V170 T175 V177 P187 L203 | A156-L158 PolarHBondContact O-N 3.42Å; A156-L158 VanDerWaalsContact O-N 3.14Å; L158-R160 PolarHBondContact O-N 3.23Å; L158-A161 HydrophobicContact CD1-CB 4.38Å; L158-A161 PolarHBondContact O-N 2.9Å; L158-V166 HydrophobicContact CD1-CG1 4.5Å; L158-V166 HydrophobicContact CD1-CG2 4.13Å; L158-L169 HydrophobicContact CB-CD1 4.23Å; L158-L169 HydrophobicContact CD1-CB 4.04Å; L158-L169 HydrophobicContact CD1-CD1 4.05Å; L158-V170 HydrophobicContact CD1-CG2 4.09Å; L158-V170 HydrophobicContact CD2-CG2 4.35Å; L158-T175 HydrophobicContact CD2-CG2 4.02Å; L158-V177 HydrophobicContact CD2-CG1 4.47Å; L158-P187 HydrophobicContact CB-CB 4.44Å; L158-P187 HydrophobicContact CB-CG 4.04Å; L158-P187 HydrophobicContact CD2-CB 4.24Å; L158-P187 HydrophobicContact CD2-CG 3.84Å; L158-P187 HydrophobicContact CG-CB 3.84Å; L158-P187 HydrophobicContact CG-CG 3.77Å; L158-L203 HydrophobicContact CD1-CD2 4.07Å; L158-L203 HydrophobicContact CD2-CD2 4.41Å; L158-L203 HydrophobicContact CG-CD2 4.33Å |
| 159 | H | 96.7 | Very high | 95.6 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 5% | 0.051 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.9 | -25 | 174.7 | -62.3 | 94.6 | 0 | 0 | 0 | 112.8 | L155 A156 P157 I179 D185 P187 T190 | L155-H159 HydrophobicContact CB-CB 4.25Å; L155-H159 HydrophobicContact CD2-CB 4.01Å; A156-H159 WeakPolarHBondContact CB-ND1 3.47Å; A156-H159 PolarHBondContact N-ND1 3.14Å; A156-H159 WeakPolarHBondContact O-CB 3.24Å; A156-H159 PolarHBondContact O-N 3.45Å; A156-H159 PolarHBondContact O-ND1 3.07Å; P157-H159 VanDerWaalsContact C-N 3.3Å; P157-H159 PolarHBondContact O-N 2.92Å; H159-I179 PolarHBondContact CE1-O 3.33Å; H159-I179 PolarHBondContact NE2-O 3.29Å; H159-D185 PolarHBondContact NE2-O 2.93Å; H159-P187 WeakPolarHBondContact NE2-CD 3.18Å; H159-T190 PolarHBondContact CD2-OG1 3.1Å |
| 160 | R | 95.8 | Very high | 95.5 | Very high | 23 Ų | 23 | 26.3 Ų | 26.3 | 9% | 0.087 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -100.8 | -11.9 | -177.9 | -76.9 | -172.6 | -179.7 | 109.3 | -12.8 | 112.9 | A126 H127 D151 D153 L155 P157 L158 | A126-R160 HydrophobicContact CB-CB 3.99Å; H127-R160 WeakPolarHBondContact CE1-CB 3.16Å; H127-R160 VanDerWaalsContact CE1-CG 3.49Å; H127-R160 WeakPolarHBondContact CE1-CG 3.43Å; H127-R160 PolarHBondContact CE1-O 3.3Å; H127-R160 PolarHBondContact ND1-O 3.06Å; H127-R160 WeakPolarHBondContact NE2-CB 3.47Å; H127-R160 WeakPolarHBondContact NE2-CD 3.28Å; H127-R160 WeakPolarHBondContact NE2-CG 3.5Å; D151-R160 IonicContact OD1-CZ 2.76Å; D151-R160 IonicContact OD1-NH1 2.73Å; D151-R160 PolarHBondContact OD1-NH1 3.16Å; D151-R160 IonicContact OD1-NH2 3.6Å; D151-R160 PolarHBondContact OD1-NH2 3.24Å; D151-R160 IonicContact OD2-CZ 3.31Å; D151-R160 IonicContact OD2-NH1 3.23Å; D151-R160 PolarHBondContact OD2-NH1 3.41Å; D151-R160 IonicContact OD2-NH2 3.07Å; D151-R160 PolarHBondContact OD2-NH2 3.32Å; D153-R160 IonicContact OD2-CZ 3.31Å; D153-R160 IonicContact OD2-NH2 3.98Å; D153-R160 PolarHBondContact OD2-NH2 2.86Å; L155-R160 VanDerWaalsContact CB-NH1 3.32Å; L155-R160 PolarHBondContact O-NH1 2.88Å; P157-R160 CarbonylContact O-C 3.56Å; P157-R160 PolarHBondContact O-N 3.2Å; L158-R160 PolarHBondContact O-N 3.23Å |
| 161 | A | 96.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | trans | -57.8 | 141.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A126 P157 L158 I165 V166 L169 I199 | A126-A161 CarbonylContact O-C 3.57Å; A126-A161 VanDerWaalsContact O-CA 3.24Å; A126-A161 WeakPolarHBondContact O-CA 3.24Å; P157-A161 PolarHBondContact O-N 2.96Å; L158-A161 HydrophobicContact CD1-CB 4.38Å; L158-A161 PolarHBondContact O-N 2.9Å; A161-I165 HydrophobicContact CB-CB 4.17Å; A161-I165 HydrophobicContact CB-CG2 3.98Å; A161-V166 HydrophobicContact CB-CG2 3.56Å; A161-L169 HydrophobicContact CB-CD1 4.24Å; A161-I199 VanDerWaalsContact O-CD1 3.29Å; A161-I199 WeakPolarHBondContact O-CD1 3.4Å | ||
| 162 | S | 97.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | trans | -70.4 | 169.6 | 160.4 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | A126 Q128 E164 I165 V166 I199 | A126-S162 PolarHBondContact O-N 3.49Å; A126-S162 PolarHBondContact O-OG 3.38Å; Q128-S162 WeakPolarHBondContact O-CB 3.35Å; Q128-S162 PolarHBondContact O-OG 3.24Å; S162-E164 VanDerWaalsContact C-N 3.27Å; S162-E164 PolarHBondContact O-N 3.36Å; S162-E164 PolarHBondContact OG-OE2 2.82Å; S162-I165 PolarHBondContact O-N 3.32Å; S162-I165 WeakPolarHBondContact OG-CB 3.24Å; S162-I165 VanDerWaalsContact OG-CG1 3.28Å; S162-I165 WeakPolarHBondContact OG-CG1 3.46Å; S162-I165 PolarHBondContact OG-N 3.03Å; S162-V166 VanDerWaalsContact O-CG2 3.3Å; S162-V166 WeakPolarHBondContact O-CG2 3.26Å; S162-V166 PolarHBondContact O-N 3.24Å; S162-I199 VanDerWaalsContact C-CD1 3.42Å | ||
| 163 | V | 96.6 | Very high | 94.5 | Very high | 42 Ų | 42 | 31 Ų | 31 | 26% | 0.255 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.4 | -45.7 | -179.3 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | I165 V166 E167 L198 I199 A202 | V163-I165 PolarHBondContact O-N 2.91Å; V163-V166 WeakPolarHBondContact O-CB 3.29Å; V163-V166 PolarHBondContact O-N 3.32Å; V163-E167 PolarHBondContact O-N 3.32Å; V163-L198 HydrophobicContact CG2-CB 3.79Å; V163-I199 HydrophobicContact CB-CD1 4.33Å; V163-I199 HydrophobicContact CG2-CD1 3.64Å; V163-I199 VanDerWaalsContact N-CD1 3.26Å; V163-A202 HydrophobicContact CG1-CB 4.01Å |
| 164 | E | 95.6 | Very high | 94.4 | Very high | 68 Ų | 68 | 29.3 Ų | 29.3 | 32% | 0.318 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -68.9 | -36.3 | -176.5 | -56.2 | 80.2 | -177.4 | 0 | 0 | 111.8 | V134 S162 V168 | V134-E164 HydrophobicContact CG2-CB 3.68Å; S162-E164 VanDerWaalsContact C-N 3.27Å; S162-E164 PolarHBondContact O-N 3.36Å; S162-E164 PolarHBondContact OG-OE2 2.82Å; E164-V168 WeakPolarHBondContact O-CG2 3.3Å |
| 165 | I | 97.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -76.4 | -32.2 | 177.6 | -62.4 | -60.9 | 0 | 0 | 0 | 111.7 | L125 V134 A137 A161 S162 V163 E167 V168 L169 | L125-I165 HydrophobicContact CD1-CD1 3.78Å; L125-I165 HydrophobicContact CD1-CG1 4.34Å; L125-I165 HydrophobicContact CD1-CG2 4.3Å; V134-I165 HydrophobicContact CG2-CD1 3.95Å; A137-I165 HydrophobicContact CB-CD1 4.16Å; A161-I165 HydrophobicContact CB-CB 4.17Å; A161-I165 HydrophobicContact CB-CG2 3.98Å; S162-I165 PolarHBondContact O-N 3.32Å; S162-I165 WeakPolarHBondContact OG-CB 3.24Å; S162-I165 VanDerWaalsContact OG-CG1 3.28Å; S162-I165 WeakPolarHBondContact OG-CG1 3.46Å; S162-I165 PolarHBondContact OG-N 3.03Å; V163-I165 PolarHBondContact O-N 2.91Å; I165-E167 VanDerWaalsContact C-N 3.32Å; I165-E167 PolarHBondContact O-N 3.43Å; I165-V168 PolarHBondContact O-N 3.28Å; I165-L169 HydrophobicContact CG2-CD1 3.68Å; I165-L169 HydrophobicContact CG2-CG 3.94Å; I165-L169 WeakPolarHBondContact O-CB 3.38Å; I165-L169 WeakPolarHBondContact O-CG 3.34Å; I165-L169 PolarHBondContact O-N 3.38Å |
| 166 | V | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.1 | -48.3 | 172.3 | 165.9 | 0 | 0 | 0 | 0 | 110.4 | L158 A161 S162 V163 V168 L169 V170 I199 A202 L203 | L158-V166 HydrophobicContact CD1-CG1 4.5Å; L158-V166 HydrophobicContact CD1-CG2 4.13Å; A161-V166 HydrophobicContact CB-CG2 3.56Å; S162-V166 VanDerWaalsContact O-CG2 3.3Å; S162-V166 WeakPolarHBondContact O-CG2 3.26Å; S162-V166 PolarHBondContact O-N 3.24Å; V163-V166 WeakPolarHBondContact O-CB 3.29Å; V163-V166 PolarHBondContact O-N 3.32Å; V166-V168 VanDerWaalsContact C-N 3.29Å; V166-V168 PolarHBondContact O-N 2.84Å; V166-L169 PolarHBondContact O-N 3.23Å; V166-V170 HydrophobicContact CG1-CG2 4Å; V166-V170 WeakPolarHBondContact O-CB 3.28Å; V166-V170 VanDerWaalsContact O-CG2 3.32Å; V166-V170 WeakPolarHBondContact O-CG2 3.42Å; V166-V170 PolarHBondContact O-N 3.1Å; V166-I199 HydrophobicContact CG2-CD1 4.44Å; V166-I199 HydrophobicContact CG2-CG2 4.18Å; V166-A202 HydrophobicContact CB-CB 4.37Å; V166-A202 HydrophobicContact CG1-CB 4Å; V166-L203 HydrophobicContact CG1-CD2 3.72Å; V166-L203 HydrophobicContact CG1-CG 3.94Å |
| 167 | E | 93.3 | Very high | 93.9 | Very high | 78 Ų | 78 | 31 Ų | 31 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.6 | -41.8 | -179 | -68.2 | -178.3 | 170.9 | 0 | 0 | 111.9 | V163 I165 A171 | V163-E167 PolarHBondContact O-N 3.32Å; I165-E167 VanDerWaalsContact C-N 3.32Å; I165-E167 PolarHBondContact O-N 3.43Å; E167-A171 WeakPolarHBondContact O-CB 3.25Å; E167-A171 PolarHBondContact O-N 2.86Å |
| 168 | V | 93.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 32.7 Ų | 32.7 | 12% | 0.115 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.9 | -47.3 | 177.9 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | V134 A137 K138 L141 E164 I165 V166 H172 | V134-V168 HydrophobicContact CB-CG2 4.41Å; V134-V168 HydrophobicContact CG1-CG2 3.66Å; V134-V168 HydrophobicContact CG2-CG2 4.46Å; A137-V168 HydrophobicContact CB-CG1 4.14Å; K138-V168 HydrophobicContact CG-CG1 3.89Å; L141-V168 HydrophobicContact CD1-CG1 3.85Å; E164-V168 WeakPolarHBondContact O-CG2 3.3Å; I165-V168 PolarHBondContact O-N 3.28Å; V166-V168 VanDerWaalsContact C-N 3.29Å; V166-V168 PolarHBondContact O-N 2.84Å; V168-H172 PolarHBondContact O-N 2.89Å |
| 169 | L | 94.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.7 | -47.9 | -176.7 | -71.2 | 176.1 | 0 | 0 | 0 | 110.9 | L122 L141 P147 P157 L158 A161 I165 V166 A171 H172 T175 | L122-L169 HydrophobicContact CD1-CD2 4.29Å; L122-L169 HydrophobicContact CD2-CD2 4.33Å; L141-L169 HydrophobicContact CD1-CD2 4.21Å; L141-L169 HydrophobicContact CD2-CD2 4.36Å; P147-L169 HydrophobicContact CB-CD2 4.1Å; P157-L169 HydrophobicContact CB-CD1 4.16Å; L158-L169 HydrophobicContact CB-CD1 4.23Å; L158-L169 HydrophobicContact CD1-CB 4.04Å; L158-L169 HydrophobicContact CD1-CD1 4.05Å; A161-L169 HydrophobicContact CB-CD1 4.24Å; I165-L169 HydrophobicContact CG2-CD1 3.68Å; I165-L169 HydrophobicContact CG2-CG 3.94Å; I165-L169 WeakPolarHBondContact O-CB 3.38Å; I165-L169 WeakPolarHBondContact O-CG 3.34Å; I165-L169 PolarHBondContact O-N 3.38Å; V166-L169 PolarHBondContact O-N 3.23Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-A171 PolarHBondContact O-N 3.45Å; L169-H172 PolarHBondContact O-N 3.29Å; L169-H172 VanDerWaalsContact O-N 3.16Å; L169-T175 HydrophobicContact CB-CG2 4.31Å; L169-T175 WeakPolarHBondContact O-CB 3.1Å; L169-T175 WeakPolarHBondContact O-CG2 3.26Å; L169-T175 PolarHBondContact O-OG1 2.63Å |
| 170 | V | 92.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66 | -35.9 | -178.2 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | L158 V166 H172 V177 L203 A206 R473 | L158-V170 HydrophobicContact CD1-CG2 4.09Å; L158-V170 HydrophobicContact CD2-CG2 4.35Å; V166-V170 HydrophobicContact CG1-CG2 4Å; V166-V170 WeakPolarHBondContact O-CB 3.28Å; V166-V170 VanDerWaalsContact O-CG2 3.32Å; V166-V170 WeakPolarHBondContact O-CG2 3.42Å; V166-V170 PolarHBondContact O-N 3.1Å; V170-H172 PolarHBondContact O-N 2.95Å; V170-V177 HydrophobicContact CG1-CG2 4.08Å; V170-V177 HydrophobicContact CG2-CG1 4.42Å; V170-V177 HydrophobicContact CG2-CG2 4.31Å; V170-L203 HydrophobicContact CG2-CD2 4.05Å; V170-A206 HydrophobicContact CB-CB 3.77Å; V170-A206 HydrophobicContact CG1-CB 3.6Å; V170-A206 HydrophobicContact CG2-CB 4.32Å; V170-R473 PolarHBondContact O-NH1 3.34Å; V170-R473 PolarHBondContact O-NH2 3.3Å |
| 171 | A | 89.2 | Confident | 93.4 | Very high | 62 Ų | 62 | 33.4 Ų | 33.4 | 51% | 0.512 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.2 | -22.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E167 L169 | E167-A171 WeakPolarHBondContact O-CB 3.25Å; E167-A171 PolarHBondContact O-N 2.86Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-A171 PolarHBondContact O-N 3.45Å |
| 172 | H | 89.8 | Confident | 93.1 | Very high | 35 Ų | 35 | 41 Ų | 41 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -82.3 | 134.6 | 178.4 | -166.2 | 22.3 | 0 | 0 | 0 | 112 | L141 V168 L169 V170 T174 T175 R473 | L141-H172 HydrophobicContact CD1-CB 3.89Å; V168-H172 PolarHBondContact O-N 2.89Å; L169-H172 PolarHBondContact O-N 3.29Å; L169-H172 VanDerWaalsContact O-N 3.16Å; V170-H172 PolarHBondContact O-N 2.95Å; H172-T174 VanDerWaalsContact C-N 3.3Å; H172-T174 PolarHBondContact CD2-OG1 3.49Å; H172-T174 PolarHBondContact NE2-OG1 3.02Å; H172-T174 PolarHBondContact O-N 3.46Å; H172-T175 PolarHBondContact O-N 3.1Å; H172-R473 PolarHBondContact O-NH2 3.29Å |
| 173 | E | 85.7 | Confident | 92.7 | Very high | 154 Ų | 154 | 44 Ų | 44 | 72% | 0.72 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30.5 | -176.2 | 66.5 | -170.9 | 166.7 | 0 | 0 | 114.3 | T175 | E173-T175 VanDerWaalsContact C-N 3.3Å; E173-T175 PolarHBondContact O-N 2.82Å |
| 174 | T | 89.1 | Confident | 92.4 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -12.4 | -176.7 | 61.8 | 0 | 0 | 0 | 0 | 113.3 | N148 H172 D176 | N148-T174 PolarHBondContact ND2-O 3.22Å; H172-T174 VanDerWaalsContact C-N 3.3Å; H172-T174 PolarHBondContact CD2-OG1 3.49Å; H172-T174 PolarHBondContact NE2-OG1 3.02Å; H172-T174 PolarHBondContact O-N 3.46Å; T174-D176 PolarHBondContact O-N 3.44Å |
| 175 | T | 92.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | trans | -76.3 | 122 | -178.4 | -55 | 0 | 0 | 0 | 0 | 110.9 | P147 L158 L169 H172 E173 V177 R473 | P147-T175 HydrophobicContact CB-CG2 4.39Å; P147-T175 WeakPolarHBondContact CG-OG1 3.37Å; L158-T175 HydrophobicContact CD2-CG2 4.02Å; L169-T175 HydrophobicContact CB-CG2 4.31Å; L169-T175 WeakPolarHBondContact O-CB 3.1Å; L169-T175 WeakPolarHBondContact O-CG2 3.26Å; L169-T175 PolarHBondContact O-OG1 2.63Å; H172-T175 PolarHBondContact O-N 3.1Å; E173-T175 VanDerWaalsContact C-N 3.3Å; E173-T175 PolarHBondContact O-N 2.82Å; T175-V177 PolarHBondContact O-N 3.38Å; T175-R473 PolarHBondContact O-NH2 2.96Å | ||
| 176 | D | 92.7 | Very high | 92.3 | Very high | 75 Ų | 75 | 44.2 Ų | 44.2 | 40% | 0.401 | 23% | 0.228 | S | C | . | . | trans | -80.7 | 107 | 167.1 | -179.8 | 7.7 | 0 | 0 | 0 | 109.1 | N148 T174 N178 I179 | N148-D176 PolarHBondContact OD1-N 3.22Å; T174-D176 PolarHBondContact O-N 3.44Å; D176-N178 PolarHBondContact O-N 3.13Å; D176-N178 PolarHBondContact OD1-N 3.28Å; D176-I179 HydrophobicContact CB-CB 4.1Å; D176-I179 WeakPolarHBondContact O-CB 3.41Å; D176-I179 WeakPolarHBondContact O-CG2 3.37Å; D176-I179 PolarHBondContact O-N 3.41Å; D176-I179 PolarHBondContact OD1-N 2.85Å; D176-I179 WeakPolarHBondContact OD2-CA 3.33Å | ||
| 177 | V | 92.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -23.5 | -177.8 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | L158 V170 T175 R473 L474 | L158-V177 HydrophobicContact CD2-CG1 4.47Å; V170-V177 HydrophobicContact CG1-CG2 4.08Å; V170-V177 HydrophobicContact CG2-CG1 4.42Å; V170-V177 HydrophobicContact CG2-CG2 4.31Å; T175-V177 PolarHBondContact O-N 3.38Å; V177-R473 HydrophobicContact CG2-CG 4.28Å; V177-L474 HydrophobicContact CG1-CB 4.35Å; V177-L474 HydrophobicContact CG1-CD1 3.62Å |
| 178 | N | 93.5 | Very high | 92.4 | Very high | 35 Ų | 35 | 40.7 Ų | 40.7 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 18 | 179.8 | -59.5 | -38.8 | 0 | 0 | 0 | 112.5 | D176 C180 R473 D475 | D176-N178 PolarHBondContact O-N 3.13Å; D176-N178 PolarHBondContact OD1-N 3.28Å; N178-C180 PolarHBondContact O-N 2.89Å; N178-R473 PolarHBondContact ND2-O 3.26Å; N178-D475 PolarHBondContact ND2-N 3.42Å; N178-D475 PolarHBondContact OD1-N 2.64Å |
| 179 | I | 94.6 | Very high | 92.6 | Very high | 15 Ų | 15 | 39.8 Ų | 39.8 | 8% | 0.077 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -52.6 | 126 | -179.7 | -176.9 | 157.8 | 0 | 0 | 0 | 110.5 | N148 L150 A156 H159 D176 P187 | N148-I179 HydrophobicContact CB-CD1 3.7Å; N148-I179 VanDerWaalsContact O-CD1 3.25Å; N148-I179 WeakPolarHBondContact O-CD1 3.31Å; L150-I179 HydrophobicContact CD2-CD1 3.99Å; L150-I179 HydrophobicContact CD2-CG1 4.29Å; A156-I179 HydrophobicContact CB-CD1 3.9Å; A156-I179 HydrophobicContact CB-CG1 4.39Å; A156-I179 HydrophobicContact CB-CG2 3.9Å; H159-I179 PolarHBondContact CE1-O 3.33Å; H159-I179 PolarHBondContact NE2-O 3.29Å; D176-I179 HydrophobicContact CB-CB 4.1Å; D176-I179 WeakPolarHBondContact O-CB 3.41Å; D176-I179 WeakPolarHBondContact O-CG2 3.37Å; D176-I179 PolarHBondContact O-N 3.41Å; D176-I179 PolarHBondContact OD1-N 2.85Å; D176-I179 WeakPolarHBondContact OD2-CA 3.33Å; I179-P187 HydrophobicContact CG2-CG 3.98Å; I179-P187 WeakPolarHBondContact O-CD 3.49Å |
| 180 | C | 94.3 | Very high | 92.6 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 20% | 0.203 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 133 | 175.4 | -71.9 | 0 | 0 | 0 | 0 | 109.7 | N178 M184 | N178-C180 PolarHBondContact O-N 2.89Å; C180-M184 HydrophobicContact CB-SD 4.2Å |
| 181 | S | 94 | Very high | 92.7 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 171.9 | 159.3 | 63 | 0 | 0 | 0 | 0 | 111.6 | G154 D183 M184 D185 | G154-S181 CarbonylContact O-C 3.5Å; G154-S181 WeakPolarHBondContact O-CA 3.38Å; G154-S181 VanDerWaalsContact O-CB 3.23Å; G154-S181 WeakPolarHBondContact O-CB 3.4Å; S181-D183 PolarHBondContact O-N 2.71Å; S181-D183 VanDerWaalsContact O-N 3.14Å; S181-D183 PolarHBondContact OG-N 3.33Å; S181-M184 WeakPolarHBondContact O-CA 3.44Å; S181-M184 PolarHBondContact O-N 2.95Å; S181-M184 PolarHBondContact OG-N 3.46Å; S181-D185 WeakPolarHBondContact CB-O 3.4Å; S181-D185 PolarHBondContact N-O 3.39Å; S181-D185 WeakPolarHBondContact OG-CB 3.41Å; S181-D185 PolarHBondContact OG-N 3.36Å; S181-D185 PolarHBondContact OG-O 2.84Å |
| 182 | R | 91.6 | Very high | 93 | Very high | 162 Ų | 162 | 37.8 Ų | 37.8 | 61% | 0.611 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -28.4 | 168.6 | -174.8 | -179.1 | 71.3 | -167.2 | -3.2 | 111.9 | D152 G154 M184 | D152-R182 PolarHBondContact O-NH1 3.33Å; G154-R182 PolarHBondContact O-N 2.88Å; R182-M184 VanDerWaalsContact C-N 3.25Å; R182-M184 PolarHBondContact O-N 3.46Å |
| 183 | D | 88.3 | Confident | 93.2 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 39% | 0.39 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 12.4 | 175.8 | -71 | -46.3 | 0 | 0 | 0 | 114.6 | S181 D185 K481 | S181-D183 PolarHBondContact O-N 2.71Å; S181-D183 VanDerWaalsContact O-N 3.14Å; S181-D183 PolarHBondContact OG-N 3.33Å; D183-D185 PolarHBondContact O-N 2.91Å; D183-D185 VanDerWaalsContact O-N 3.16Å; D183-K481 VanDerWaalsContact CA-CE 3.49Å; D183-K481 WeakPolarHBondContact O-CD 3.23Å; D183-K481 WeakPolarHBondContact O-CE 3.29Å; D183-K481 VanDerWaalsContact O-CG 3.27Å; D183-K481 WeakPolarHBondContact O-CG 3.45Å; D183-K481 IonicContact OD1-NZ 3.58Å; D183-K481 PolarHBondContact OD1-NZ 2.81Å |
| 184 | M | 89.5 | Confident | 93.6 | Very high | 93 Ų | 93 | 35.3 Ų | 35.3 | 46% | 0.458 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 60.5 | 13.6 | -178.7 | -59.8 | -66.1 | -66 | 0 | 0 | 113.9 | C180 S181 R182 K481 | C180-M184 HydrophobicContact CB-SD 4.2Å; S181-M184 WeakPolarHBondContact O-CA 3.44Å; S181-M184 PolarHBondContact O-N 2.95Å; S181-M184 PolarHBondContact OG-N 3.46Å; R182-M184 VanDerWaalsContact C-N 3.25Å; R182-M184 PolarHBondContact O-N 3.46Å; M184-K481 HydrophobicContact CB-CG 4.12Å |
| 185 | D | 94.3 | Very high | 93.8 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | trans | -84 | 131.6 | 173 | -69.7 | -21.2 | 0 | 0 | 0 | 109.3 | H159 S181 D183 L189 K193 | H159-D185 PolarHBondContact NE2-O 2.93Å; S181-D185 WeakPolarHBondContact CB-O 3.4Å; S181-D185 PolarHBondContact N-O 3.39Å; S181-D185 WeakPolarHBondContact OG-CB 3.41Å; S181-D185 PolarHBondContact OG-N 3.36Å; S181-D185 PolarHBondContact OG-O 2.84Å; D183-D185 PolarHBondContact O-N 2.91Å; D183-D185 VanDerWaalsContact O-N 3.16Å; D185-L189 HydrophobicContact CB-CB 4.13Å; D185-K193 IonicContact OD1-NZ 2.98Å; D185-K193 PolarHBondContact OD1-NZ 2.92Å; D185-K193 WeakPolarHBondContact OD2-CD 3.48Å; D185-K193 IonicContact OD2-NZ 2.74Å; D185-K193 PolarHBondContact OD2-NZ 3.29Å | ||
| 186 | T | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | trans | -76.7 | 165.2 | 167.7 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | L188 L189 T190 R478 | T186-L188 PolarHBondContact O-N 2.97Å; T186-L188 VanDerWaalsContact O-N 3.17Å; T186-L189 PolarHBondContact O-N 3.04Å; T186-L189 PolarHBondContact OG1-N 3.29Å; T186-L189 VanDerWaalsContact OG1-N 3.13Å; T186-T190 PolarHBondContact O-N 3.44Å; T186-T190 PolarHBondContact O-OG1 3.24Å; T186-R478 HydrophobicContact CG2-CB 4.36Å; T186-R478 HydrophobicContact CG2-CG 4.24Å | ||
| 187 | P | 96.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.3 | -34.9 | 172.6 | -26.7 | 35.4 | 0 | 0 | 0 | 112.8 | L158 H159 I179 A191 L203 | L158-P187 HydrophobicContact CB-CB 4.44Å; L158-P187 HydrophobicContact CB-CG 4.04Å; L158-P187 HydrophobicContact CD2-CB 4.24Å; L158-P187 HydrophobicContact CD2-CG 3.84Å; L158-P187 HydrophobicContact CG-CB 3.84Å; L158-P187 HydrophobicContact CG-CG 3.77Å; H159-P187 WeakPolarHBondContact NE2-CD 3.18Å; I179-P187 HydrophobicContact CG2-CG 3.98Å; I179-P187 WeakPolarHBondContact O-CD 3.49Å; P187-A191 WeakPolarHBondContact O-CB 3.44Å; P187-A191 PolarHBondContact O-N 3Å; P187-L203 HydrophobicContact CB-CD1 4.29Å |
| 188 | L | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -47.6 | 175.2 | -163.8 | 73.4 | 0 | 0 | 0 | 112 | T186 T190 A191 V192 L200 L203 I204 L474 I476 P486 L504 | T186-L188 PolarHBondContact O-N 2.97Å; T186-L188 VanDerWaalsContact O-N 3.17Å; L188-T190 VanDerWaalsContact C-N 3.35Å; L188-T190 PolarHBondContact O-N 3.04Å; L188-A191 PolarHBondContact O-N 3.24Å; L188-V192 WeakPolarHBondContact O-CG2 3.31Å; L188-V192 PolarHBondContact O-N 2.97Å; L188-L200 HydrophobicContact CD1-CD1 3.34Å; L188-L200 HydrophobicContact CD1-CG 4.43Å; L188-L200 HydrophobicContact CG-CD1 3.91Å; L188-L203 HydrophobicContact CB-CD1 4.39Å; L188-L203 HydrophobicContact CD1-CB 4.05Å; L188-L203 HydrophobicContact CD1-CD1 3.91Å; L188-I204 HydrophobicContact CD1-CG1 4.49Å; L188-L474 HydrophobicContact CB-CD1 4.28Å; L188-L474 HydrophobicContact CD1-CD1 4.42Å; L188-L474 HydrophobicContact CD1-CD2 4.11Å; L188-L474 HydrophobicContact CD2-CD1 4.26Å; L188-L474 HydrophobicContact CD2-CD2 4.31Å; L188-L474 HydrophobicContact CD2-CG 4.34Å; L188-I476 HydrophobicContact CD2-CB 4.33Å; L188-I476 HydrophobicContact CD2-CG2 4.15Å; L188-P486 HydrophobicContact CD2-CB 4.45Å; L188-P486 HydrophobicContact CD2-CG 4.08Å; L188-P486 HydrophobicContact CG-CG 4.49Å; L188-L504 HydrophobicContact CD2-CD2 4.28Å |
| 189 | L | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 175.7 | -82.8 | 168.8 | 0 | 0 | 0 | 111.5 | D185 T186 A191 V192 K193 R478 D480 P486 I489 | D185-L189 HydrophobicContact CB-CB 4.13Å; T186-L189 PolarHBondContact O-N 3.04Å; T186-L189 PolarHBondContact OG1-N 3.29Å; T186-L189 VanDerWaalsContact OG1-N 3.13Å; L189-A191 VanDerWaalsContact C-N 3.34Å; L189-A191 PolarHBondContact O-N 2.68Å; L189-V192 PolarHBondContact O-N 2.88Å; L189-K193 WeakPolarHBondContact O-CB 3.47Å; L189-K193 VanDerWaalsContact O-CG 3.29Å; L189-K193 WeakPolarHBondContact O-CG 3.21Å; L189-K193 PolarHBondContact O-N 3Å; L189-R478 WeakPolarHBondContact CD1-O 3.39Å; L189-D480 HydrophobicContact CD1-CB 4.06Å; L189-D480 HydrophobicContact CD2-CB 4.2Å; L189-P486 HydrophobicContact CD2-CG 3.74Å; L189-P486 HydrophobicContact CG-CG 4.07Å; L189-I489 HydrophobicContact CD2-CD1 3.66Å |
| 190 | T | 95.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 175.7 | -56.6 | 0 | 0 | 0 | 0 | 111 | H159 T186 L188 V192 K193 D194 | H159-T190 PolarHBondContact CD2-OG1 3.1Å; T186-T190 PolarHBondContact O-N 3.44Å; T186-T190 PolarHBondContact O-OG1 3.24Å; L188-T190 VanDerWaalsContact C-N 3.35Å; L188-T190 PolarHBondContact O-N 3.04Å; T190-V192 VanDerWaalsContact C-N 3.34Å; T190-V192 PolarHBondContact O-N 2.64Å; T190-K193 PolarHBondContact O-N 3.26Å; T190-D194 VanDerWaalsContact O-CB 3.29Å; T190-D194 WeakPolarHBondContact O-CB 3.08Å; T190-D194 PolarHBondContact O-N 2.95Å |
| 191 | A | 96 | Very high | 94.3 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P187 L188 L189 R195 R196 I199 L200 L203 | P187-A191 WeakPolarHBondContact O-CB 3.44Å; P187-A191 PolarHBondContact O-N 3Å; L188-A191 PolarHBondContact O-N 3.24Å; L189-A191 VanDerWaalsContact C-N 3.34Å; L189-A191 PolarHBondContact O-N 2.68Å; A191-R195 PolarHBondContact O-N 3.4Å; A191-R195 VanDerWaalsContact O-N 3.14Å; A191-R196 PolarHBondContact O-N 3.39Å; A191-I199 HydrophobicContact CB-CB 4.2Å; A191-I199 HydrophobicContact CB-CG2 3.84Å; A191-L200 HydrophobicContact CB-CB 4.42Å; A191-L203 HydrophobicContact CB-CD1 4.4Å |
| 192 | V | 95.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.9 | -44.3 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | L188 L189 T190 D194 R195 L200 P486 I489 A490 M500 L504 | L188-V192 WeakPolarHBondContact O-CG2 3.31Å; L188-V192 PolarHBondContact O-N 2.97Å; L189-V192 PolarHBondContact O-N 2.88Å; T190-V192 VanDerWaalsContact C-N 3.34Å; T190-V192 PolarHBondContact O-N 2.64Å; V192-D194 VanDerWaalsContact C-N 3.3Å; V192-D194 PolarHBondContact O-N 3.31Å; V192-R195 PolarHBondContact O-N 3.48Å; V192-L200 HydrophobicContact CG2-CD1 3.56Å; V192-L200 HydrophobicContact CG2-CD2 4.43Å; V192-L200 HydrophobicContact CG2-CG 4.48Å; V192-P486 HydrophobicContact CG2-CB 4.09Å; V192-I489 HydrophobicContact CG1-CB 3.83Å; V192-I489 HydrophobicContact CG1-CG2 3.73Å; V192-A490 HydrophobicContact CG1-CB 4.25Å; V192-M500 HydrophobicContact CB-SD 4.5Å; V192-M500 HydrophobicContact CG1-CE 4.33Å; V192-M500 HydrophobicContact CG1-SD 4.33Å; V192-M500 HydrophobicContact CG2-SD 4.41Å; V192-L504 HydrophobicContact CG2-CD1 4.39Å |
| 193 | K | 93.8 | Very high | 94.6 | Very high | 53 Ų | 53 | 40.4 Ų | 40.4 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -40.9 | 177.6 | -75.4 | 176.3 | 174.7 | -175.3 | 0 | 111.9 | D185 L189 T190 R195 D480 I489 | D185-K193 IonicContact OD1-NZ 2.98Å; D185-K193 PolarHBondContact OD1-NZ 2.92Å; D185-K193 WeakPolarHBondContact OD2-CD 3.48Å; D185-K193 IonicContact OD2-NZ 2.74Å; D185-K193 PolarHBondContact OD2-NZ 3.29Å; L189-K193 WeakPolarHBondContact O-CB 3.47Å; L189-K193 VanDerWaalsContact O-CG 3.29Å; L189-K193 WeakPolarHBondContact O-CG 3.21Å; L189-K193 PolarHBondContact O-N 3Å; T190-K193 PolarHBondContact O-N 3.26Å; K193-R195 PolarHBondContact O-N 2.9Å; K193-D480 VanDerWaalsContact CE-OD2 3.29Å; K193-D480 WeakPolarHBondContact CE-OD2 3.11Å; K193-D480 IonicContact NZ-OD2 2.75Å; K193-D480 PolarHBondContact NZ-OD2 2.75Å; K193-I489 HydrophobicContact CD-CD1 4.45Å; K193-I489 HydrophobicContact CG-CD1 3.94Å; K193-I489 HydrophobicContact CG-CG2 4.3Å |
| 194 | D | 93.4 | Very high | 94.8 | Very high | 83 Ų | 83 | 37.6 Ų | 37.6 | 44% | 0.444 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -0.5 | 176.4 | -75.4 | 6.9 | 0 | 0 | 0 | 113.4 | T190 V192 R196 | T190-D194 VanDerWaalsContact O-CB 3.29Å; T190-D194 WeakPolarHBondContact O-CB 3.08Å; T190-D194 PolarHBondContact O-N 2.95Å; V192-D194 VanDerWaalsContact C-N 3.3Å; V192-D194 PolarHBondContact O-N 3.31Å; D194-R196 HydrophobicContact CB-CG 3.82Å; D194-R196 PolarHBondContact O-N 2.81Å; D194-R196 IonicContact OD2-CZ 2.85Å; D194-R196 VanDerWaalsContact OD2-CZ 3.31Å; D194-R196 IonicContact OD2-NE 3.89Å; D194-R196 PolarHBondContact OD2-NE 3.26Å; D194-R196 IonicContact OD2-NH2 3.14Å; D194-R196 PolarHBondContact OD2-NH2 3.28Å |
| 195 | R | 92.9 | Very high | 94.9 | Very high | 153 Ų | 153 | 39.1 Ų | 39.1 | 58% | 0.577 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 36.1 | -176.8 | -52.8 | -177.2 | -179.5 | -168.3 | -3.2 | 113.6 | A191 V192 K193 E197 S496 M500 | A191-R195 PolarHBondContact O-N 3.4Å; A191-R195 VanDerWaalsContact O-N 3.14Å; V192-R195 PolarHBondContact O-N 3.48Å; K193-R195 PolarHBondContact O-N 2.9Å; R195-E197 PolarHBondContact O-N 3Å; R195-S496 PolarHBondContact NH1-OG 2.84Å; R195-M500 HydrophobicContact CB-CE 4.32Å; R195-M500 HydrophobicContact CG-CE 4.35Å |
| 196 | R | 94.2 | Very high | 94.6 | Very high | 89 Ų | 89 | 38.3 Ų | 38.3 | 34% | 0.336 | 17% | 0.174 | S | C | . | . | trans | -88.4 | 74.4 | 177.1 | -59.9 | -175.1 | -165.3 | -178.8 | 9.9 | 110.5 | A191 D194 L198 I199 L200 | A191-R196 PolarHBondContact O-N 3.39Å; D194-R196 HydrophobicContact CB-CG 3.82Å; D194-R196 PolarHBondContact O-N 2.81Å; D194-R196 IonicContact OD2-CZ 2.85Å; D194-R196 VanDerWaalsContact OD2-CZ 3.31Å; D194-R196 IonicContact OD2-NE 3.89Å; D194-R196 PolarHBondContact OD2-NE 3.26Å; D194-R196 IonicContact OD2-NH2 3.14Å; D194-R196 PolarHBondContact OD2-NH2 3.28Å; R196-L198 VanDerWaalsContact C-N 3.3Å; R196-L198 PolarHBondContact O-N 3.42Å; R196-I199 HydrophobicContact CB-CB 3.94Å; R196-I199 HydrophobicContact CB-CG1 3.88Å; R196-I199 PolarHBondContact O-N 3.33Å; R196-L200 PolarHBondContact O-N 3.49Å; R196-L200 VanDerWaalsContact O-N 3.08Å | ||
| 197 | E | 94.5 | Very high | 94.1 | Very high | 64 Ų | 64 | 38.4 Ų | 38.4 | 30% | 0.299 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -50.2 | -46.4 | -178 | -175.8 | -174 | 148.4 | 0 | 0 | 113 | R195 I199 L200 I201 N499 M500 | R195-E197 PolarHBondContact O-N 3Å; E197-I199 VanDerWaalsContact C-N 3.31Å; E197-I199 PolarHBondContact O-N 3.42Å; E197-L200 WeakPolarHBondContact O-CB 3.22Å; E197-L200 PolarHBondContact O-N 3.31Å; E197-I201 HydrophobicContact CG-CD1 3.85Å; E197-I201 WeakPolarHBondContact O-CG1 3.44Å; E197-I201 PolarHBondContact O-N 3.04Å; E197-N499 HydrophobicContact CG-CB 4.14Å; E197-N499 WeakPolarHBondContact OE1-CB 3.37Å; E197-N499 PolarHBondContact OE1-ND2 2.81Å; E197-N499 WeakPolarHBondContact OE2-CB 3.35Å; E197-N499 PolarHBondContact OE2-ND2 3.34Å; E197-M500 HydrophobicContact CB-CG 4.18Å; E197-M500 HydrophobicContact CG-CG 4.21Å |
| 198 | L | 95.6 | Very high | 93.6 | Very high | 122 Ų | 122 | 43 Ų | 43 | 64% | 0.639 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -64.3 | -34.7 | -178.8 | -62.3 | 179.2 | 0 | 0 | 0 | 112.9 | V163 R196 A202 | V163-L198 HydrophobicContact CG2-CB 3.79Å; R196-L198 VanDerWaalsContact C-N 3.3Å; R196-L198 PolarHBondContact O-N 3.42Å; L198-A202 VanDerWaalsContact O-CB 3.26Å; L198-A202 WeakPolarHBondContact O-CB 3.24Å; L198-A202 PolarHBondContact O-N 2.96Å |
| 199 | I | 96.6 | Very high | 93.1 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 10% | 0.097 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.4 | -42.8 | 177.7 | -60.8 | -60.6 | 0 | 0 | 0 | 110.5 | A161 S162 V163 V166 A191 R196 E197 I201 A202 L203 | A161-I199 VanDerWaalsContact O-CD1 3.29Å; A161-I199 WeakPolarHBondContact O-CD1 3.4Å; S162-I199 VanDerWaalsContact C-CD1 3.42Å; V163-I199 HydrophobicContact CB-CD1 4.33Å; V163-I199 HydrophobicContact CG2-CD1 3.64Å; V163-I199 VanDerWaalsContact N-CD1 3.26Å; V166-I199 HydrophobicContact CG2-CD1 4.44Å; V166-I199 HydrophobicContact CG2-CG2 4.18Å; A191-I199 HydrophobicContact CB-CB 4.2Å; A191-I199 HydrophobicContact CB-CG2 3.84Å; R196-I199 HydrophobicContact CB-CB 3.94Å; R196-I199 HydrophobicContact CB-CG1 3.88Å; R196-I199 PolarHBondContact O-N 3.33Å; E197-I199 VanDerWaalsContact C-N 3.31Å; E197-I199 PolarHBondContact O-N 3.42Å; I199-I201 VanDerWaalsContact C-N 3.35Å; I199-I201 PolarHBondContact O-N 3.14Å; I199-A202 PolarHBondContact O-N 3.48Å; I199-L203 HydrophobicContact CG2-CD1 4.2Å; I199-L203 WeakPolarHBondContact O-CG 3.39Å; I199-L203 PolarHBondContact O-N 2.91Å |
| 200 | L | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.5 | -50.9 | 172.6 | 172.6 | 82.8 | 0 | 0 | 0 | 110.7 | L188 A191 V192 R196 E197 A202 L203 I204 M500 A503 L504 | L188-L200 HydrophobicContact CD1-CD1 3.34Å; L188-L200 HydrophobicContact CD1-CG 4.43Å; L188-L200 HydrophobicContact CG-CD1 3.91Å; A191-L200 HydrophobicContact CB-CB 4.42Å; V192-L200 HydrophobicContact CG2-CD1 3.56Å; V192-L200 HydrophobicContact CG2-CD2 4.43Å; V192-L200 HydrophobicContact CG2-CG 4.48Å; R196-L200 PolarHBondContact O-N 3.49Å; R196-L200 VanDerWaalsContact O-N 3.08Å; E197-L200 WeakPolarHBondContact O-CB 3.22Å; E197-L200 PolarHBondContact O-N 3.31Å; L200-A202 VanDerWaalsContact C-N 3.31Å; L200-A202 PolarHBondContact O-N 2.9Å; L200-L203 PolarHBondContact O-N 3.44Å; L200-I204 HydrophobicContact CD1-CD1 4.21Å; L200-I204 HydrophobicContact CG-CD1 4.07Å; L200-I204 WeakPolarHBondContact O-CG1 3.37Å; L200-I204 PolarHBondContact O-N 3Å; L200-I204 VanDerWaalsContact O-N 3.07Å; L200-M500 VanDerWaalsContact CD2-CA 3.48Å; L200-M500 HydrophobicContact CD2-CB 3.47Å; L200-M500 VanDerWaalsContact CD2-CB 3.47Å; L200-M500 HydrophobicContact CD2-CG 3.58Å; L200-M500 HydrophobicContact CD2-SD 4.3Å; L200-A503 HydrophobicContact CD2-CB 4.24Å; L200-L504 HydrophobicContact CD1-CD2 3.79Å; L200-L504 HydrophobicContact CD1-CG 4.16Å; L200-L504 HydrophobicContact CD2-CG 4.31Å |
| 201 | I | 95.1 | Very high | 91.4 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 179.9 | -66.7 | 169.1 | 0 | 0 | 0 | 110.7 | E197 I199 I204 R205 A503 | E197-I201 HydrophobicContact CG-CD1 3.85Å; E197-I201 WeakPolarHBondContact O-CG1 3.44Å; E197-I201 PolarHBondContact O-N 3.04Å; I199-I201 VanDerWaalsContact C-N 3.35Å; I199-I201 PolarHBondContact O-N 3.14Å; I201-I204 PolarHBondContact O-N 2.87Å; I201-R205 VanDerWaalsContact O-CB 3.23Å; I201-R205 WeakPolarHBondContact O-CB 3.26Å; I201-R205 PolarHBondContact O-N 3.44Å; I201-A503 HydrophobicContact CG1-CB 4.15Å |
| 202 | A | 94.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V163 V166 L198 I199 L200 R205 A206 | V163-A202 HydrophobicContact CG1-CB 4.01Å; V166-A202 HydrophobicContact CB-CB 4.37Å; V166-A202 HydrophobicContact CG1-CB 4Å; L198-A202 VanDerWaalsContact O-CB 3.26Å; L198-A202 WeakPolarHBondContact O-CB 3.24Å; L198-A202 PolarHBondContact O-N 2.96Å; I199-A202 PolarHBondContact O-N 3.48Å; L200-A202 VanDerWaalsContact C-N 3.31Å; L200-A202 PolarHBondContact O-N 2.9Å; A202-R205 PolarHBondContact O-N 3.32Å; A202-A206 WeakPolarHBondContact O-CB 3.49Å; A202-A206 PolarHBondContact O-N 3.27Å |
| 203 | L | 95.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 175.8 | -75.3 | 166.5 | 0 | 0 | 0 | 111.4 | L158 V166 V170 P187 L188 A191 I199 L200 D207 L474 | L158-L203 HydrophobicContact CD1-CD2 4.07Å; L158-L203 HydrophobicContact CD2-CD2 4.41Å; L158-L203 HydrophobicContact CG-CD2 4.33Å; V166-L203 HydrophobicContact CG1-CD2 3.72Å; V166-L203 HydrophobicContact CG1-CG 3.94Å; V170-L203 HydrophobicContact CG2-CD2 4.05Å; P187-L203 HydrophobicContact CB-CD1 4.29Å; L188-L203 HydrophobicContact CB-CD1 4.39Å; L188-L203 HydrophobicContact CD1-CB 4.05Å; L188-L203 HydrophobicContact CD1-CD1 3.91Å; A191-L203 HydrophobicContact CB-CD1 4.4Å; I199-L203 HydrophobicContact CG2-CD1 4.2Å; I199-L203 WeakPolarHBondContact O-CG 3.39Å; I199-L203 PolarHBondContact O-N 2.91Å; L200-L203 PolarHBondContact O-N 3.44Å; L203-D207 WeakPolarHBondContact O-CB 3.3Å; L203-D207 PolarHBondContact O-N 3.04Å; L203-D207 VanDerWaalsContact O-N 3.1Å; L203-L474 HydrophobicContact CB-CD2 4.47Å |
| 204 | I | 93.5 | Very high | 88.9 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 8% | 0.077 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 178.3 | -67.7 | 168.3 | 0 | 0 | 0 | 110.6 | L188 L200 I201 D207 Q208 L474 A503 L504 A507 | L188-I204 HydrophobicContact CD1-CG1 4.49Å; L200-I204 HydrophobicContact CD1-CD1 4.21Å; L200-I204 HydrophobicContact CG-CD1 4.07Å; L200-I204 WeakPolarHBondContact O-CG1 3.37Å; L200-I204 PolarHBondContact O-N 3Å; L200-I204 VanDerWaalsContact O-N 3.07Å; I201-I204 PolarHBondContact O-N 2.87Å; I204-D207 PolarHBondContact O-N 3.04Å; I204-Q208 VanDerWaalsContact O-CG 3.3Å; I204-Q208 WeakPolarHBondContact O-CG 3.4Å; I204-Q208 PolarHBondContact O-N 3.34Å; I204-L474 HydrophobicContact CG1-CD2 4.06Å; I204-A503 HydrophobicContact CD1-CB 4.11Å; I204-L504 HydrophobicContact CD1-CD2 4.38Å; I204-A507 HydrophobicContact CD1-CB 4.05Å; I204-A507 HydrophobicContact CG1-CB 4.26Å; I204-A507 HydrophobicContact CG2-CB 3.72Å |
| 205 | R | 92.2 | Very high | 88.1 | Confident | 124 Ų | 124 | 64.1 Ų | 64.1 | 47% | 0.468 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65 | -46.2 | -178.7 | -177.1 | -174.3 | -63.7 | 168.7 | -0.1 | 112 | I201 A202 D207 Q208 Q209 | I201-R205 VanDerWaalsContact O-CB 3.23Å; I201-R205 WeakPolarHBondContact O-CB 3.26Å; I201-R205 PolarHBondContact O-N 3.44Å; A202-R205 PolarHBondContact O-N 3.32Å; R205-D207 VanDerWaalsContact C-N 3.29Å; R205-D207 PolarHBondContact O-N 3.19Å; R205-Q208 PolarHBondContact O-N 3.07Å; R205-Q209 HydrophobicContact CG-CG 4.48Å; R205-Q209 WeakPolarHBondContact O-CG 3.31Å; R205-Q209 PolarHBondContact O-N 3.4Å |
| 206 | A | 88.1 | Confident | 87.3 | Confident | 6 Ų | 6 | 62 Ų | 62 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -38.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V170 A202 Q209 F210 | V170-A206 HydrophobicContact CB-CB 3.77Å; V170-A206 HydrophobicContact CG1-CB 3.6Å; V170-A206 HydrophobicContact CG2-CB 4.32Å; A202-A206 WeakPolarHBondContact O-CB 3.49Å; A202-A206 PolarHBondContact O-N 3.27Å; A206-Q209 PolarHBondContact O-N 3.36Å; A206-F210 WeakPolarHBondContact O-CB 3.43Å; A206-F210 PolarHBondContact O-N 3.07Å |
| 207 | D | 85.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.011 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 172.8 | -176.9 | 79.4 | 0 | 0 | 0 | 112.2 | L203 I204 R205 Q209 F210 R211 R473 L474 | L203-D207 WeakPolarHBondContact O-CB 3.3Å; L203-D207 PolarHBondContact O-N 3.04Å; L203-D207 VanDerWaalsContact O-N 3.1Å; I204-D207 PolarHBondContact O-N 3.04Å; R205-D207 VanDerWaalsContact C-N 3.29Å; R205-D207 PolarHBondContact O-N 3.19Å; D207-Q209 PolarHBondContact O-N 3.47Å; D207-F210 PolarHBondContact O-N 3.14Å; D207-R211 WeakPolarHBondContact O-CG 3.21Å; D207-R211 PolarHBondContact O-N 3.38Å; D207-R211 VanDerWaalsContact O-N 3.09Å; D207-R211 IonicContact OD2-CZ 2.64Å; D207-R211 IonicContact OD2-NE 2.64Å; D207-R211 PolarHBondContact OD2-NE 3.15Å; D207-R211 IonicContact OD2-NH2 3.53Å; D207-R211 PolarHBondContact OD2-NH2 3.37Å; D207-R473 VanDerWaalsContact OD1-CB 3.25Å; D207-R473 WeakPolarHBondContact OD1-CB 3.38Å; D207-L474 HydrophobicContact CB-CB 3.88Å; D207-L474 HydrophobicContact CB-CD2 4.39Å; D207-L474 VanDerWaalsContact CG-CB 3.48Å; D207-L474 PolarHBondContact OD1-N 2.86Å |
| 208 | Q | 86 | Confident | 84.5 | Confident | 100 Ų | 100 | 64.2 Ų | 64.2 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 175.4 | -72.8 | 172.4 | -5.2 | 0 | 0 | 112.4 | I204 R205 R211 E212 | I204-Q208 VanDerWaalsContact O-CG 3.3Å; I204-Q208 WeakPolarHBondContact O-CG 3.4Å; I204-Q208 PolarHBondContact O-N 3.34Å; R205-Q208 PolarHBondContact O-N 3.07Å; Q208-R211 PolarHBondContact O-N 3.2Å; Q208-E212 PolarHBondContact O-N 3.1Å; Q208-E212 VanDerWaalsContact O-N 3.08Å |
| 209 | Q | 85.5 | Confident | 82.7 | Confident | 100 Ų | 100 | 61 Ų | 61 | 47% | 0.467 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 177.6 | -74.3 | 178 | -12.2 | 0 | 0 | 112 | R205 A206 D207 R211 E212 Q213 | R205-Q209 HydrophobicContact CG-CG 4.48Å; R205-Q209 WeakPolarHBondContact O-CG 3.31Å; R205-Q209 PolarHBondContact O-N 3.4Å; A206-Q209 PolarHBondContact O-N 3.36Å; D207-Q209 PolarHBondContact O-N 3.47Å; Q209-R211 PolarHBondContact O-N 2.95Å; Q209-E212 PolarHBondContact O-N 3.46Å; Q209-Q213 WeakPolarHBondContact O-CG 3.39Å; Q209-Q213 PolarHBondContact O-N 2.94Å |
| 210 | F | 78.9 | Confident | 80.7 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 16% | 0.158 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | 176.5 | -178 | -97.1 | 0 | 0 | 0 | 111.6 | A206 D207 E212 Q213 H214 R473 | A206-F210 WeakPolarHBondContact O-CB 3.43Å; A206-F210 PolarHBondContact O-N 3.07Å; D207-F210 PolarHBondContact O-N 3.14Å; F210-E212 VanDerWaalsContact C-N 3.35Å; F210-E212 PolarHBondContact O-N 2.84Å; F210-Q213 PolarHBondContact O-N 3.39Å; F210-H214 AromaticContact CD1-CD2 3.75Å; F210-H214 AromaticContact CE1-CD2 3.34Å; F210-H214 WeakPolarHBondContact CE1-CD2 3.41Å; F210-H214 AromaticContact CE1-NE2 3.42Å; F210-H214 WeakPolarHBondContact CE1-NE2 3.15Å; F210-H214 AromaticContact CE2-CD2 3.84Å; F210-H214 AromaticContact CE2-NE2 3.45Å; F210-H214 WeakPolarHBondContact CE2-NE2 3.44Å; F210-H214 AromaticContact CZ-CD2 3.41Å; F210-H214 VanDerWaalsContact CZ-CD2 3.41Å; F210-H214 WeakPolarHBondContact CZ-CD2 3.25Å; F210-H214 AromaticContact CZ-NE2 2.97Å; F210-H214 WeakPolarHBondContact CZ-NE2 3.4Å; F210-H214 PolarHBondContact O-CD2 3.49Å; F210-H214 PolarHBondContact O-N 2.7Å; F210-H214 VanDerWaalsContact O-N 3.09Å; F210-R473 VanDerWaalsContact CE2-NH1 3.32Å |
| 211 | R | 75.9 | Confident | 78.5 | Confident | 75 Ų | 75 | 68.3 Ų | 68.3 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.7 | -66.2 | -178.4 | -156.1 | -174 | 16.3 | 112.5 | D207 Q208 Q209 Q213 H214 R215 | D207-R211 WeakPolarHBondContact O-CG 3.21Å; D207-R211 PolarHBondContact O-N 3.38Å; D207-R211 VanDerWaalsContact O-N 3.09Å; D207-R211 IonicContact OD2-CZ 2.64Å; D207-R211 IonicContact OD2-NE 2.64Å; D207-R211 PolarHBondContact OD2-NE 3.15Å; D207-R211 IonicContact OD2-NH2 3.53Å; D207-R211 PolarHBondContact OD2-NH2 3.37Å; Q208-R211 PolarHBondContact O-N 3.2Å; Q209-R211 PolarHBondContact O-N 2.95Å; R211-Q213 VanDerWaalsContact C-N 3.32Å; R211-Q213 PolarHBondContact O-N 2.87Å; R211-H214 PolarHBondContact O-N 3.19Å; R211-R215 WeakPolarHBondContact O-CB 3.48Å; R211-R215 PolarHBondContact O-N 3.02Å |
| 212 | E | 81.6 | Confident | 76.2 | Confident | 72 Ų | 72 | 70 Ų | 70 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 179.8 | -179.8 | 56.1 | -158.6 | 0 | 0 | 111.9 | Q208 Q209 F210 R215 K216 | Q208-E212 PolarHBondContact O-N 3.1Å; Q208-E212 VanDerWaalsContact O-N 3.08Å; Q209-E212 PolarHBondContact O-N 3.46Å; F210-E212 VanDerWaalsContact C-N 3.35Å; F210-E212 PolarHBondContact O-N 2.84Å; E212-R215 PolarHBondContact O-N 2.98Å; E212-R215 IonicContact OE1-CZ 3.59Å; E212-R215 IonicContact OE1-NE 2.84Å; E212-R215 IonicContact OE1-NH2 3.47Å; E212-R215 PolarHBondContact OE1-NH2 2.93Å; E212-R215 IonicContact OE2-CZ 3.94Å; E212-R215 IonicContact OE2-NE 2.69Å; E212-R215 PolarHBondContact OE2-NE 3.47Å; E212-R215 IonicContact OE2-NH2 3.51Å; E212-R215 PolarHBondContact OE2-NH2 2.86Å; E212-K216 WeakPolarHBondContact O-CG 3.47Å; E212-K216 PolarHBondContact O-N 3.41Å; E212-K216 WeakPolarHBondContact OE1-CE 3.39Å |
| 213 | Q | 78.4 | Confident | 74 | Confident | 112 Ų | 112 | 75.6 Ų | 75.6 | 52% | 0.523 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 173.6 | -70.7 | 176.3 | 4.9 | 0 | 0 | 112 | Q209 F210 R211 R215 K216 N217 | Q209-Q213 WeakPolarHBondContact O-CG 3.39Å; Q209-Q213 PolarHBondContact O-N 2.94Å; F210-Q213 PolarHBondContact O-N 3.39Å; R211-Q213 VanDerWaalsContact C-N 3.32Å; R211-Q213 PolarHBondContact O-N 2.87Å; Q213-R215 VanDerWaalsContact C-N 3.33Å; Q213-R215 PolarHBondContact O-N 2.86Å; Q213-K216 PolarHBondContact O-N 2.98Å; Q213-N217 PolarHBondContact O-N 3.41Å |
| 214 | H | 72.2 | Confident | 71.7 | Confident | 87 Ų | 87 | 80 Ų | 80 | 40% | 0.403 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 175.6 | -85.2 | -76.4 | 0 | 0 | 0 | 112.8 | F210 R211 N217 N218 | F210-H214 AromaticContact CD1-CD2 3.75Å; F210-H214 AromaticContact CE1-CD2 3.34Å; F210-H214 WeakPolarHBondContact CE1-CD2 3.41Å; F210-H214 AromaticContact CE1-NE2 3.42Å; F210-H214 WeakPolarHBondContact CE1-NE2 3.15Å; F210-H214 AromaticContact CE2-CD2 3.84Å; F210-H214 AromaticContact CE2-NE2 3.45Å; F210-H214 WeakPolarHBondContact CE2-NE2 3.44Å; F210-H214 AromaticContact CZ-CD2 3.41Å; F210-H214 VanDerWaalsContact CZ-CD2 3.41Å; F210-H214 WeakPolarHBondContact CZ-CD2 3.25Å; F210-H214 AromaticContact CZ-NE2 2.97Å; F210-H214 WeakPolarHBondContact CZ-NE2 3.4Å; F210-H214 PolarHBondContact O-CD2 3.49Å; F210-H214 PolarHBondContact O-N 2.7Å; F210-H214 VanDerWaalsContact O-N 3.09Å; R211-H214 PolarHBondContact O-N 3.19Å; H214-N217 PolarHBondContact O-N 3.36Å; H214-N218 PolarHBondContact O-N 2.81Å |
| 215 | R | 77.4 | Confident | 69.1 | Low | 119 Ų | 119 | 83 Ų | 83 | 45% | 0.449 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 174.3 | -168.2 | -170.8 | 69.7 | 74.9 | -0.2 | 111.2 | R211 E212 Q213 N218 T219 | R211-R215 WeakPolarHBondContact O-CB 3.48Å; R211-R215 PolarHBondContact O-N 3.02Å; E212-R215 PolarHBondContact O-N 2.98Å; E212-R215 IonicContact OE1-CZ 3.59Å; E212-R215 IonicContact OE1-NE 2.84Å; E212-R215 IonicContact OE1-NH2 3.47Å; E212-R215 PolarHBondContact OE1-NH2 2.93Å; E212-R215 IonicContact OE2-CZ 3.94Å; E212-R215 IonicContact OE2-NE 2.69Å; E212-R215 PolarHBondContact OE2-NE 3.47Å; E212-R215 IonicContact OE2-NH2 3.51Å; E212-R215 PolarHBondContact OE2-NH2 2.86Å; Q213-R215 VanDerWaalsContact C-N 3.33Å; Q213-R215 PolarHBondContact O-N 2.86Å; R215-N218 PolarHBondContact O-N 2.81Å; R215-T219 PolarHBondContact O-N 3.44Å; R215-T219 PolarHBondContact O-OG1 3.21Å; R215-T219 VanDerWaalsContact O-OG1 3.11Å |
| 216 | K | 76.6 | Confident | 66.4 | Low | 110 Ų | 110 | 82.8 Ų | 82.8 | 48% | 0.478 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 176.5 | -74.5 | 175.5 | -176.9 | 177.7 | 0 | 111.8 | E212 Q213 N218 T219 T220 | E212-K216 WeakPolarHBondContact O-CG 3.47Å; E212-K216 PolarHBondContact O-N 3.41Å; E212-K216 WeakPolarHBondContact OE1-CE 3.39Å; Q213-K216 PolarHBondContact O-N 2.98Å; K216-N218 PolarHBondContact O-N 3.46Å; K216-T219 VanDerWaalsContact CA-OG1 3.31Å; K216-T219 WeakPolarHBondContact CA-OG1 3.36Å; K216-T219 PolarHBondContact O-N 3.15Å; K216-T219 PolarHBondContact O-OG1 3.07Å; K216-T220 PolarHBondContact O-N 3.05Å; K216-T220 PolarHBondContact O-OG1 3.36Å |
| 217 | N | 69.7 | Low | 63.9 | Low | 99 Ų | 99 | 88.1 Ų | 88.1 | 53% | 0.529 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 178.7 | -70.4 | -7 | 0 | 0 | 0 | 111.4 | Q213 H214 T219 T220 T221 | Q213-N217 PolarHBondContact O-N 3.41Å; H214-N217 PolarHBondContact O-N 3.36Å; N217-T219 PolarHBondContact O-N 3.41Å; N217-T220 PolarHBondContact O-N 3.35Å; N217-T221 PolarHBondContact O-N 3.2Å; N217-T221 VanDerWaalsContact O-N 3.11Å; N217-T221 PolarHBondContact O-OG1 3.13Å |
| 218 | N | 59.8 | Low | 61.4 | Low | 100 Ų | 100 | 93.7 Ų | 93.7 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 176.8 | -71.9 | -1.6 | 0 | 0 | 0 | 113 | H214 R215 K216 T221 T222 | H214-N218 PolarHBondContact O-N 2.81Å; R215-N218 PolarHBondContact O-N 2.81Å; K216-N218 PolarHBondContact O-N 3.46Å; N218-T221 PolarHBondContact O-N 2.96Å; N218-T222 PolarHBondContact O-N 3.29Å; N218-T222 VanDerWaalsContact O-N 3.15Å; N218-T222 PolarHBondContact O-OG1 3.41Å |
| 219 | T | 57.2 | Low | 58.8 | Low | 55 Ų | 55 | 95.5 Ų | 95.5 | 34% | 0.337 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -37.1 | 174.2 | 46.5 | 0 | 0 | 0 | 0 | 112.6 | R215 K216 N217 T221 T222 I223 | R215-T219 PolarHBondContact O-N 3.44Å; R215-T219 PolarHBondContact O-OG1 3.21Å; R215-T219 VanDerWaalsContact O-OG1 3.11Å; K216-T219 VanDerWaalsContact CA-OG1 3.31Å; K216-T219 WeakPolarHBondContact CA-OG1 3.36Å; K216-T219 PolarHBondContact O-N 3.15Å; K216-T219 PolarHBondContact O-OG1 3.07Å; N217-T219 PolarHBondContact O-N 3.41Å; T219-T221 VanDerWaalsContact C-N 3.33Å; T219-T221 PolarHBondContact O-N 2.99Å; T219-T222 VanDerWaalsContact CA-OG1 3.29Å; T219-T222 WeakPolarHBondContact CA-OG1 3.43Å; T219-T222 PolarHBondContact O-N 2.9Å; T219-T222 PolarHBondContact O-OG1 3.09Å; T219-T222 VanDerWaalsContact O-OG1 3.1Å; T219-I223 WeakPolarHBondContact O-CG1 3.39Å; T219-I223 PolarHBondContact O-N 3.14Å |
| 220 | T | 53.9 | Low | 55.9 | Low | 86 Ų | 86 | 94.9 Ų | 94.9 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 176.5 | -50.8 | 0 | 0 | 0 | 0 | 110.8 | K216 N217 T222 I223 T224 | K216-T220 PolarHBondContact O-N 3.05Å; K216-T220 PolarHBondContact O-OG1 3.36Å; N217-T220 PolarHBondContact O-N 3.35Å; T220-T222 VanDerWaalsContact C-N 3.33Å; T220-T222 PolarHBondContact O-N 3.25Å; T220-I223 PolarHBondContact O-N 3.18Å; T220-T224 PolarHBondContact O-N 3.16Å; T220-T224 VanDerWaalsContact O-N 3.15Å; T220-T224 PolarHBondContact O-OG1 2.72Å |
| 221 | T | 50.5 | Low | 53.5 | Low | 85 Ų | 85 | 99.5 Ų | 99.5 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.2 | -29.7 | 176.7 | -32.6 | 0 | 0 | 0 | 0 | 113 | N217 N218 T219 T224 T225 | N217-T221 PolarHBondContact O-N 3.2Å; N217-T221 VanDerWaalsContact O-N 3.11Å; N217-T221 PolarHBondContact O-OG1 3.13Å; N218-T221 PolarHBondContact O-N 2.96Å; T219-T221 VanDerWaalsContact C-N 3.33Å; T219-T221 PolarHBondContact O-N 2.99Å; T221-T224 PolarHBondContact O-OG1 3.33Å; T221-T225 WeakPolarHBondContact O-CG2 3.45Å; T221-T225 PolarHBondContact O-N 2.92Å; T221-T225 PolarHBondContact O-OG1 3.36Å |
| 222 | T | 46.3 | Very low | 51.2 | Low | 83 Ų | 83 | 101.9 Ų | 101.9 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -79.1 | -30.6 | 176.8 | 27.8 | 0 | 0 | 0 | 0 | 112.8 | N218 T219 T220 T225 T226 | N218-T222 PolarHBondContact O-N 3.29Å; N218-T222 VanDerWaalsContact O-N 3.15Å; N218-T222 PolarHBondContact O-OG1 3.41Å; T219-T222 VanDerWaalsContact CA-OG1 3.29Å; T219-T222 WeakPolarHBondContact CA-OG1 3.43Å; T219-T222 PolarHBondContact O-N 2.9Å; T219-T222 PolarHBondContact O-OG1 3.09Å; T219-T222 VanDerWaalsContact O-OG1 3.1Å; T220-T222 VanDerWaalsContact C-N 3.33Å; T220-T222 PolarHBondContact O-N 3.25Å; T222-T225 WeakPolarHBondContact CA-OG1 3.5Å; T222-T225 PolarHBondContact O-OG1 3.08Å; T222-T226 PolarHBondContact O-OG1 3.41Å |
| 223 | I | 49.3 | Very low | 48.4 | Very low | 122 Ų | 122 | 107.3 Ų | 107.3 | 63% | 0.626 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.7 | -34.6 | 174.5 | -63.7 | 168.2 | 0 | 0 | 0 | 111 | T219 T220 T226 | T219-I223 WeakPolarHBondContact O-CG1 3.39Å; T219-I223 PolarHBondContact O-N 3.14Å; T220-I223 PolarHBondContact O-N 3.18Å; I223-T226 PolarHBondContact O-OG1 3.43Å |
| 224 | T | 46.5 | Very low | 45.9 | Very low | 91 Ų | 91 | 108.4 Ų | 108.4 | 56% | 0.558 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.6 | -24.5 | 174.2 | 33.9 | 0 | 0 | 0 | 0 | 114 | T220 T221 | T220-T224 PolarHBondContact O-N 3.16Å; T220-T224 VanDerWaalsContact O-N 3.15Å; T220-T224 PolarHBondContact O-OG1 2.72Å; T221-T224 PolarHBondContact O-OG1 3.33Å |
| 225 | T | 40.1 | Very low | 43.5 | Very low | 80 Ų | 80 | 110 Ų | 110 | 49% | 0.491 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -84.4 | -8.2 | 179.5 | 44.1 | 0 | 0 | 0 | 0 | 115 | T221 T222 T227 | T221-T225 WeakPolarHBondContact O-CG2 3.45Å; T221-T225 PolarHBondContact O-N 2.92Å; T221-T225 PolarHBondContact O-OG1 3.36Å; T222-T225 WeakPolarHBondContact CA-OG1 3.5Å; T222-T225 PolarHBondContact O-OG1 3.08Å; T225-T227 VanDerWaalsContact C-N 3.34Å |
| 226 | T | 35.9 | Very low | 41 | Very low | 118 Ų | 118 | 109.6 Ų | 109.6 | 72% | 0.724 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 4 | 174.9 | 38.7 | 0 | 0 | 0 | 0 | 114.8 | T222 I223 | T222-T226 PolarHBondContact O-OG1 3.41Å; I223-T226 PolarHBondContact O-OG1 3.43Å |
| 227 | T | 35.5 | Very low | 38.6 | Very low | 119 Ų | 119 | 110.9 Ų | 110.9 | 73% | 0.73 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | 5.5 | 177.6 | 9.9 | 0 | 0 | 0 | 0 | 116.4 | T225 | T225-T227 VanDerWaalsContact C-N 3.34Š|
| 228 | T | 32.5 | Very low | 36.4 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | trans | -145.7 | 79.3 | 175.4 | 54.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 229 | V | 30.3 | Very low | 34.6 | Very low | 138 Ų | 138 | 117.9 Ų | 117.9 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | trans | -124 | 86.2 | 164.3 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 230 | A | 26.4 | Very low | 32.9 | Very low | 87 Ų | 87 | 121.6 Ų | 121.6 | 72% | 0.719 | 73% | 0.727 | S | S | * | * | trans | 178.5 | 90.6 | 145.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 231 | T | 27.8 | Very low | 31.5 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 82% | 0.816 | 75% | 0.745 | S | S | * | * | S | Bend | 174.4 | 123.9 | 121.6 | 33.9 | 0 | 0 | 0 | 0 | 111.6 | |||
| 232 | T | 27.2 | Very low | 30.1 | Very low | 126 Ų | 126 | 128 Ų | 128 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 65.1 | 92.9 | 144.6 | 56.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 233 | M | 22.8 | Very low | 29.1 | Very low | 185 Ų | 185 | 127.6 Ų | 127.6 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | trans | -27 | 121.6 | 138.7 | -65.7 | -83.2 | 144.1 | 0 | 0 | 114.4 | ||||
| 234 | T | 26.4 | Very low | 27.8 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -136.3 | 103.9 | 147.5 | 51.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 235 | S | 21.8 | Very low | 26.8 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -64.7 | 124.5 | 168.7 | 36 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 236 | S | 25.1 | Very low | 26.2 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -123.2 | 112.3 | 161.1 | 60.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 237 | T | 25.3 | Very low | 25.5 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 126.2 | 178.7 | 40 | 0 | 0 | 0 | 0 | 112.3 | ||
| 238 | L | 23 | Very low | 24.9 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 119.1 | 166 | -85.5 | 109.5 | 0 | 0 | 0 | 109.4 | ||
| 239 | E | 22.9 | Very low | 24.4 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 120.7 | 165.5 | -73.6 | -174.6 | 162.1 | 0 | 0 | 110.2 | ||
| 240 | T | 21.6 | Very low | 24 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 122.3 | 170.5 | 43.1 | 0 | 0 | 0 | 0 | 110.9 | ||
| 241 | Q | 23.9 | Very low | 23.8 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -112.6 | 99.6 | 159.9 | -70.1 | -169.2 | 10.4 | 0 | 0 | 109 | ||||
| 242 | S | 22.4 | Very low | 23.6 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -72.5 | 117.8 | 167.9 | 48.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 243 | G | 25.3 | Very low | 23.4 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -121.5 | 93.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S245 | G243-S245 PolarHBondContact O-N 3.01Š| ||
| 244 | D | 21.7 | Very low | 23.4 | Very low | 171 Ų | 171 | 137 Ų | 137 | 91% | 0.914 | 83% | 0.831 | S | S | * | * | trans | -68 | 108.8 | 170.7 | -79.7 | -37.3 | 0 | 0 | 0 | 110.1 | ||||
| 245 | S | 25.6 | Very low | 23.2 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 78% | 0.783 | 84% | 0.836 | S | S | * | * | trans | -110.2 | 100.8 | 164.9 | 80 | 0 | 0 | 0 | 0 | 109.6 | G243 C247 | G243-S245 PolarHBondContact O-N 3.01Å; S245-C247 PolarHBondContact O-N 3.15Å | ||
| 246 | A | 26.3 | Very low | 23.3 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -57.9 | 124.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R248 | A246-R248 PolarHBondContact O-N 3.49Š| ||
| 247 | C | 21.6 | Very low | 23.4 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | trans | -59.7 | 108.2 | 172.6 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | S245 V249 | S245-C247 PolarHBondContact O-N 3.15Å; C247-V249 PolarHBondContact O-N 3.16Å | ||
| 248 | R | 22.4 | Very low | 23.4 | Very low | 236 Ų | 236 | 142.4 Ų | 142.4 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | trans | -78.2 | 109.2 | 164.3 | -79.8 | -174.4 | 178.4 | -169 | 0.3 | 109.8 | A246 I250 | A246-R248 PolarHBondContact O-N 3.49Å; R248-I250 PolarHBondContact O-N 2.88Å; R248-I250 VanDerWaalsContact O-N 3.16Å | ||
| 249 | V | 22.3 | Very low | 23.6 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | trans | -66.1 | 103 | 171 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | C247 A251 | C247-V249 PolarHBondContact O-N 3.16Å; V249-A251 PolarHBondContact O-N 3.1Å | ||
| 250 | I | 22.8 | Very low | 23.8 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | trans | -86.5 | 103.7 | 166.8 | -61.3 | 175.7 | 0 | 0 | 0 | 107.2 | R248 S252 | R248-I250 PolarHBondContact O-N 2.88Å; R248-I250 VanDerWaalsContact O-N 3.16Å; I250-S252 PolarHBondContact O-N 3.25Å | ||
| 251 | A | 21.9 | Very low | 24.1 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -65.6 | 98.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | V249 | V249-A251 PolarHBondContact O-N 3.1Š| ||
| 252 | S | 23.8 | Very low | 24.3 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | trans | -87.8 | 122 | 171 | 48.8 | 0 | 0 | 0 | 0 | 109.6 | I250 L254 | I250-S252 PolarHBondContact O-N 3.25Å; S252-L254 PolarHBondContact O-N 3.41Å | ||
| 253 | A | 23.1 | Very low | 24.6 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -58.9 | 129 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R255 | A253-R255 PolarHBondContact O-N 3.44Š| ||
| 254 | L | 22 | Very low | 24.7 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -54.8 | 100.7 | 172.3 | -74.7 | 150.4 | 0 | 0 | 0 | 110.9 | S252 | S252-L254 PolarHBondContact O-N 3.41Š| ||
| 255 | R | 22 | Very low | 25.1 | Very low | 249 Ų | 249 | 132.6 Ų | 132.6 | 94% | 0.94 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 121.3 | 162.3 | -104.1 | -178.6 | -170.9 | 179.1 | 4.4 | 109 | A253 | A253-R255 PolarHBondContact O-N 3.44Š|
| 256 | T | 25.1 | Very low | 25.4 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 143.9 | 178.3 | 48 | 0 | 0 | 0 | 0 | 111.4 | S258 | T256-S258 PolarHBondContact O-N 2.88Š|
| 257 | P | 26.4 | Very low | 25.6 | Very low | 129 Ų | 129 | 131 Ų | 131 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 125.9 | -173.7 | -11.3 | 27.6 | 0 | 0 | 0 | 111.7 | S259 | P257-S259 PolarHBondContact O-N 3.43Š|
| 258 | S | 26.4 | Very low | 25.9 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 121.7 | 172.7 | 173.3 | 0 | 0 | 0 | 0 | 111 | T256 K260 | T256-S258 PolarHBondContact O-N 2.88Å; S258-K260 PolarHBondContact O-N 3.38Å; S258-K260 VanDerWaalsContact O-N 3.1Å |
| 259 | S | 26.8 | Very low | 26.3 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -74.6 | 85 | 179 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | P257 | P257-S259 PolarHBondContact O-N 3.43Š| ||
| 260 | K | 25.7 | Very low | 26.9 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | trans | -139.5 | 76.4 | 158.4 | -69.6 | -171 | -178.6 | 175.9 | 0 | 110.2 | S258 S262 | S258-K260 PolarHBondContact O-N 3.38Å; S258-K260 VanDerWaalsContact O-N 3.1Å; K260-S262 PolarHBondContact O-N 2.92Å; K260-S262 VanDerWaalsContact O-N 3.09Å | ||
| 261 | S | 27.9 | Very low | 27.3 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -75.2 | 87.4 | 171.2 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | N263 | S261-N263 PolarHBondContact O-N 3.28Š| ||
| 262 | S | 30 | Very low | 27.7 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | trans | -79.5 | 68.3 | 172.1 | 41.9 | 0 | 0 | 0 | 0 | 111.5 | K260 S264 | K260-S262 PolarHBondContact O-N 2.92Å; K260-S262 VanDerWaalsContact O-N 3.09Å; S262-S264 PolarHBondContact O-N 3.45Å; S262-S264 VanDerWaalsContact O-N 3.13Å | ||
| 263 | N | 26.9 | Very low | 28.1 | Very low | 164 Ų | 164 | 125 Ų | 125 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | trans | -79.7 | 49.2 | 158.1 | -89.3 | -21.3 | 0 | 0 | 0 | 110.4 | S261 | S261-N263 PolarHBondContact O-N 3.28Š| ||
| 264 | S | 27.9 | Very low | 28.5 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 50% | 0.497 | 71% | 0.709 | S | S | . | * | trans | -75.9 | 131.5 | 176.6 | 63.6 | 0 | 0 | 0 | 0 | 110 | S262 S266 | S262-S264 PolarHBondContact O-N 3.45Å; S262-S264 VanDerWaalsContact O-N 3.13Å; S264-S266 PolarHBondContact O-N 3.17Å | ||
| 265 | A | 31.3 | Very low | 28.8 | Very low | 67 Ų | 67 | 119.3 Ų | 119.3 | 55% | 0.554 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -4.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S267 R268 | A265-S267 VanDerWaalsContact C-N 3.25Å; A265-S267 PolarHBondContact O-N 3.03Å; A265-R268 PolarHBondContact O-N 3.27Å; A265-R268 VanDerWaalsContact O-N 3.15Å |
| 266 | S | 30.4 | Very low | 29.3 | Very low | 85 Ų | 85 | 110.7 Ų | 110.7 | 59% | 0.594 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -61.8 | -27.5 | 177.5 | -63.6 | 0 | 0 | 0 | 0 | 113.6 | S264 R268 T270 | S264-S266 PolarHBondContact O-N 3.17Å; S266-R268 VanDerWaalsContact C-N 3.32Å; S266-R268 PolarHBondContact O-N 3.39Å; S266-T270 PolarHBondContact O-OG1 3.48Å |
| 267 | S | 31.7 | Very low | 29.7 | Very low | 94 Ų | 94 | 109.7 Ų | 109.7 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.2 | -21.2 | 176.7 | 61 | 0 | 0 | 0 | 0 | 113.7 | A265 | A265-S267 VanDerWaalsContact C-N 3.25Å; A265-S267 PolarHBondContact O-N 3.03Å |
| 268 | R | 28 | Very low | 30.1 | Very low | 202 Ų | 202 | 110.4 Ų | 110.4 | 76% | 0.762 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -82.7 | -30.4 | 175.7 | -64.8 | -167 | -159.5 | -175.9 | 6.7 | 112.9 | A265 S266 L271 A272 | A265-R268 PolarHBondContact O-N 3.27Å; A265-R268 VanDerWaalsContact O-N 3.15Å; S266-R268 VanDerWaalsContact C-N 3.32Å; S266-R268 PolarHBondContact O-N 3.39Å; R268-L271 PolarHBondContact O-N 3.01Å; R268-A272 PolarHBondContact O-N 3.04Å |
| 269 | F | 29.7 | Very low | 30.2 | Very low | 160 Ų | 160 | 113.9 Ų | 113.9 | 70% | 0.702 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.8 | -28 | 176.8 | -86.7 | -74.3 | 0 | 0 | 0 | 113.3 | L271 A272 S273 | F269-L271 VanDerWaalsContact C-N 3.28Å; F269-L271 PolarHBondContact O-N 3.47Å; F269-A272 PolarHBondContact O-N 3.32Å; F269-S273 PolarHBondContact O-N 3.08Å |
| 270 | T | 35.5 | Very low | 30.2 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.5 | -32.1 | 173.4 | -45.3 | 0 | 0 | 0 | 0 | 111.8 | S266 S273 | S266-T270 PolarHBondContact O-OG1 3.48Å; T270-S273 PolarHBondContact O-N 3.41Å |
| 271 | L | 31 | Very low | 30.4 | Very low | 126 Ų | 126 | 113.9 Ų | 113.9 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.1 | -35.3 | 178.4 | -151.1 | 90.8 | 0 | 0 | 0 | 112.7 | R268 F269 S273 A274 T275 | R268-L271 PolarHBondContact O-N 3.01Å; F269-L271 VanDerWaalsContact C-N 3.28Å; F269-L271 PolarHBondContact O-N 3.47Å; L271-S273 PolarHBondContact O-N 2.97Å; L271-A274 PolarHBondContact O-N 3.32Å; L271-T275 PolarHBondContact O-N 2.71Å; L271-T275 PolarHBondContact O-OG1 3.3Å |
| 272 | A | 29.9 | Very low | 30.5 | Very low | 58 Ų | 58 | 115.9 Ų | 115.9 | 48% | 0.479 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -63.6 | -25.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R268 F269 | R268-A272 PolarHBondContact O-N 3.04Å; F269-A272 PolarHBondContact O-N 3.32Å |
| 273 | S | 32.9 | Very low | 30.3 | Very low | 80 Ų | 80 | 119 Ų | 119 | 56% | 0.559 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -73.9 | -37 | 175 | -163.9 | 0 | 0 | 0 | 0 | 112.4 | F269 T270 L271 S276 T277 | F269-S273 PolarHBondContact O-N 3.08Å; T270-S273 PolarHBondContact O-N 3.41Å; L271-S273 PolarHBondContact O-N 2.97Å; S273-S276 PolarHBondContact O-N 3.01Å; S273-S276 PolarHBondContact O-OG 3.43Å; S273-T277 PolarHBondContact O-OG1 3.36Å |
| 274 | A | 30.5 | Very low | 30.3 | Very low | 60 Ų | 60 | 116.6 Ų | 116.6 | 50% | 0.496 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -75.7 | -28.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L271 T277 | L271-A274 PolarHBondContact O-N 3.32Å; A274-T277 PolarHBondContact O-OG1 3.16Å |
| 275 | T | 29.6 | Very low | 30.2 | Very low | 93 Ų | 93 | 120.3 Ų | 120.3 | 57% | 0.571 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -82.4 | -20.5 | 174.9 | 45.8 | 0 | 0 | 0 | 0 | 113.2 | L271 T277 I278 | L271-T275 PolarHBondContact O-N 2.71Å; L271-T275 PolarHBondContact O-OG1 3.3Å; T275-T277 VanDerWaalsContact C-N 3.27Å; T275-T277 PolarHBondContact O-N 3.19Å; T275-I278 PolarHBondContact O-N 2.91Å |
| 276 | S | 32.1 | Very low | 29.8 | Very low | 69 Ų | 69 | 124.3 Ų | 124.3 | 48% | 0.483 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -71 | -20.8 | 175.9 | 81.2 | 0 | 0 | 0 | 0 | 113.7 | S273 I278 F279 | S273-S276 PolarHBondContact O-N 3.01Å; S273-S276 PolarHBondContact O-OG 3.43Å; S276-I278 VanDerWaalsContact C-N 3.3Å; S276-I278 PolarHBondContact O-N 3.22Å; S276-F279 PolarHBondContact O-N 3.24Å |
| 277 | T | 33.3 | Very low | 29.4 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 66% | 0.663 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -18.5 | -179.8 | 3.8 | 0 | 0 | 0 | 0 | 113 | S273 A274 T275 | S273-T277 PolarHBondContact O-OG1 3.36Å; A274-T277 PolarHBondContact O-OG1 3.16Å; T275-T277 VanDerWaalsContact C-N 3.27Å; T275-T277 PolarHBondContact O-N 3.19Å |
| 278 | I | 33.9 | Very low | 29.1 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -20.7 | 176.8 | -63.7 | 178.7 | 0 | 0 | 0 | 111.7 | T275 S276 | T275-I278 PolarHBondContact O-N 2.91Å; S276-I278 VanDerWaalsContact C-N 3.3Å; S276-I278 PolarHBondContact O-N 3.22Å |
| 279 | F | 29.4 | Very low | 29 | Very low | 182 Ų | 182 | 125.2 Ų | 125.2 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -94.6 | 4.4 | -178.2 | -113 | -83.2 | 0 | 0 | 0 | 115.8 | S276 | S276-F279 PolarHBondContact O-N 3.24Š|
| 280 | R | 26.9 | Very low | 28.7 | Very low | 237 Ų | 237 | 122.8 Ų | 122.8 | 89% | 0.894 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 27.6 | 173.6 | -82.1 | -163.2 | -176 | -167.3 | 1.6 | 114.5 | ||
| 281 | G | 30 | Very low | 28.2 | Very low | 67 Ų | 67 | 123.7 Ų | 123.7 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -12.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 282 | I | 28.9 | Very low | 27.7 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -144.3 | 69.5 | -171.6 | -45.5 | 176.1 | 0 | 0 | 0 | 110.9 | ||
| 283 | I | 27.5 | Very low | 27.4 | Very low | 167 Ų | 167 | 131 Ų | 131 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | -142.9 | 123 | 151.3 | -57.5 | -176.2 | 0 | 0 | 0 | 107.4 | ||||
| 284 | S | 26 | Very low | 27 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -51.6 | 152.7 | 179.4 | -53.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 285 | N | 24.6 | Very low | 26.7 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -42.1 | 154.9 | 178.6 | -68.2 | -25.4 | 0 | 0 | 0 | 114.6 | ||
| 286 | D | 24.3 | Very low | 26.4 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | 93 | 75.1 | 174.7 | -52.5 | -23.7 | 0 | 0 | 0 | 115.8 | ||||
| 287 | C | 22.6 | Very low | 26.1 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -169.7 | 103.7 | 140 | -96.3 | 0 | 0 | 0 | 0 | 110 | V289 | C287-V289 PolarHBondContact O-N 3.11Š| ||
| 288 | V | 25.4 | Very low | 25.5 | Very low | 147 Ų | 147 | 137 Ų | 137 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -78 | 108.7 | 176.1 | 177.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 289 | V | 24.3 | Very low | 25.2 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | trans | -122.7 | 118.9 | 163.9 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | C287 | C287-V289 PolarHBondContact O-N 3.11Š| ||
| 290 | P | 23.6 | Very low | 24.9 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 137.3 | -168.5 | 28.1 | -32.1 | 0 | 0 | 0 | 111.3 | R292 | P290-R292 PolarHBondContact O-N 3.08Š|
| 291 | P | 25.6 | Very low | 24.6 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 130.5 | -177.8 | 27.8 | -30.9 | 0 | 0 | 0 | 110.8 | A293 | P291-A293 PolarHBondContact O-N 3.12Š|
| 292 | R | 21.3 | Very low | 24.2 | Very low | 245 Ų | 245 | 135.8 Ų | 135.8 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 118.2 | 177.7 | -150.6 | 172 | -178.6 | 124.8 | -2.7 | 109.4 | P290 S294 | P290-R292 PolarHBondContact O-N 3.08Å; R292-S294 PolarHBondContact O-N 3.46Å; R292-S294 VanDerWaalsContact O-N 3.09Å |
| 293 | A | 23.9 | Very low | 24 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -63.9 | 104.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P291 | P291-A293 PolarHBondContact O-N 3.12Š| ||
| 294 | S | 24.2 | Very low | 23.7 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -80.9 | 111.3 | 157.6 | -49.8 | 0 | 0 | 0 | 0 | 106.9 | R292 A296 | R292-S294 PolarHBondContact O-N 3.46Å; R292-S294 VanDerWaalsContact O-N 3.09Å; S294-A296 PolarHBondContact O-N 3.36Å | ||
| 295 | S | 22.5 | Very low | 23.5 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -49.4 | 91.1 | -179.3 | -43.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 296 | A | 25.1 | Very low | 23.4 | Very low | 88 Ų | 88 | 135 Ų | 135 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -127.6 | 119.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | S294 S298 | S294-A296 PolarHBondContact O-N 3.36Å; A296-S298 PolarHBondContact O-N 3.28Å | ||
| 297 | A | 24.8 | Very low | 23.3 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -42.1 | 123.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V299 | A297-V299 PolarHBondContact O-N 3.16Š| ||
| 298 | S | 22 | Very low | 23.4 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -47.2 | 104.2 | 168.8 | 43.9 | 0 | 0 | 0 | 0 | 111.1 | A296 N300 | A296-S298 PolarHBondContact O-N 3.28Å; S298-N300 PolarHBondContact O-N 3.38Å | ||
| 299 | V | 25.5 | Very low | 23.4 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -86.7 | 104.2 | 166.9 | -176.1 | 0 | 0 | 0 | 0 | 106.6 | A297 L301 | A297-V299 PolarHBondContact O-N 3.16Å; V299-L301 PolarHBondContact O-N 3.39Å; V299-L301 VanDerWaalsContact O-N 3.1Å | ||
| 300 | N | 23.3 | Very low | 23.3 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -55 | 113 | 174.7 | -87.6 | -28.1 | 0 | 0 | 0 | 110.3 | S298 H302 | S298-N300 PolarHBondContact O-N 3.38Å; N300-H302 PolarHBondContact O-N 3.23Å | ||
| 301 | L | 21.4 | Very low | 23.4 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -81.1 | 87.2 | 175.7 | -165.3 | 85.4 | 0 | 0 | 0 | 108.6 | V299 | V299-L301 PolarHBondContact O-N 3.39Å; V299-L301 VanDerWaalsContact O-N 3.1Å | ||
| 302 | H | 22 | Very low | 23.5 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -127.7 | 137.2 | 163 | -90.2 | -77 | 0 | 0 | 0 | 109.7 | N300 | N300-H302 PolarHBondContact O-N 3.23Š| ||
| 303 | S | 23.8 | Very low | 23.5 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 80 | 59.2 | 169 | 64.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 304 | I | 20.9 | Very low | 23.4 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -86.5 | 108.5 | 139.4 | -62.8 | 170.8 | 0 | 0 | 0 | 105.4 | ||||
| 305 | I | 22.3 | Very low | 23.4 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | 170.7 | 96.3 | 149.6 | -80.1 | 146.7 | 0 | 0 | 0 | 104.7 | ||||
| 306 | N | 23.2 | Very low | 23.4 | Very low | 152 Ų | 152 | 138 Ų | 138 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -160.2 | 79.6 | 142.2 | -111.5 | -11.8 | 0 | 0 | 0 | 108 | ||||
| 307 | T | 22.6 | Very low | 23.1 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -65.4 | 116.6 | 157.5 | 45.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 308 | N | 24.5 | Very low | 23.2 | Very low | 141 Ų | 141 | 149 Ų | 149 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -148.5 | 93.3 | 156.4 | -93.6 | -29.5 | 0 | 0 | 0 | 109.8 | ||||
| 309 | H | 24.6 | Very low | 23.2 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | trans | 33.5 | 103.2 | 137.3 | -65.8 | -72 | 0 | 0 | 0 | 119.1 | ||||
| 310 | S | 22.6 | Very low | 23.1 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | 32.7 | 112.2 | 121.1 | 60.3 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 311 | K | 24.9 | Very low | 23 | Very low | 189 Ų | 189 | 151 Ų | 151 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -141.1 | 130.4 | 136.1 | -89 | -174.4 | -179.8 | 175.8 | 0 | 110.1 | ||||
| 312 | P | 27.3 | Very low | 22.9 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -85.6 | 133.1 | -179.5 | 34.1 | -29.6 | 0 | 0 | 0 | 109.7 | ||||
| 313 | F | 23.2 | Very low | 23 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -115.5 | 110.1 | 170.7 | -95 | -84.8 | 0 | 0 | 0 | 109.7 | ||||
| 314 | I | 21.2 | Very low | 22.9 | Very low | 155 Ų | 155 | 151.8 Ų | 151.8 | 80% | 0.795 | 79% | 0.792 | S | S | * | * | trans | -62.2 | 126.5 | 161.1 | -64.7 | 165.2 | 0 | 0 | 0 | 106.6 | ||||
| 315 | T | 24.6 | Very low | 23.1 | Very low | 126 Ų | 126 | 152.3 Ų | 152.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -127.7 | 119.2 | 169.2 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 316 | D | 21.9 | Very low | 23.1 | Very low | 133 Ų | 133 | 156.7 Ų | 156.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -56.3 | 150.5 | -174 | -78.3 | -55.7 | 0 | 0 | 0 | 116 | H318 | D316-H318 PolarHBondContact O-N 3.48Š| ||
| 317 | R | 19.6 | Very low | 22.9 | Very low | 246 Ų | 246 | 158.1 Ų | 158.1 | 93% | 0.928 | 81% | 0.806 | S | S | * | * | trans | -51 | 111.7 | 160.2 | -83.8 | 175.1 | 162.5 | 172.4 | -5.1 | 110.2 | ||||
| 318 | H | 25.3 | Very low | 22.9 | Very low | 164 Ų | 164 | 162 Ų | 162 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -110.9 | 109.4 | 154.7 | -82.9 | -71.3 | 0 | 0 | 0 | 110 | D316 L320 | D316-H318 PolarHBondContact O-N 3.48Å; H318-L320 PolarHBondContact O-N 3.09Å | ||
| 319 | N | 21.8 | Very low | 22.8 | Very low | 165 Ų | 165 | 161 Ų | 161 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -54.2 | 117 | 161.5 | -85.2 | -28.6 | 0 | 0 | 0 | 109.2 | ||||
| 320 | L | 25.1 | Very low | 22.8 | Very low | 170 Ų | 170 | 161 Ų | 161 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | trans | -110.9 | 95.3 | 168.5 | -85.8 | 153.9 | 0 | 0 | 0 | 108.3 | H318 | H318-L320 PolarHBondContact O-N 3.09Š| ||
| 321 | S | 20.7 | Very low | 22.8 | Very low | 100 Ų | 100 | 165.3 Ų | 165.3 | 70% | 0.699 | 83% | 0.825 | S | S | * | * | trans | -66.1 | 128.1 | 166.8 | 55.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 322 | S | 19.9 | Very low | 22.7 | Very low | 105 Ų | 105 | 163.8 Ų | 163.8 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | trans | 31.4 | 98.6 | 143 | 60.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 323 | Q | 24 | Very low | 22.5 | Very low | 188 Ų | 188 | 162.7 Ų | 162.7 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -121.3 | 101.3 | 145.9 | -79.7 | -166.8 | -13.2 | 0 | 0 | 109.7 | L325 | Q323-L325 PolarHBondContact O-N 3.45Š| ||
| 324 | L | 21.6 | Very low | 22.3 | Very low | 169 Ų | 169 | 160.5 Ų | 160.5 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | -73.2 | 102.1 | 174.3 | -156.2 | 92 | 0 | 0 | 0 | 108.2 | ||||
| 325 | L | 23.5 | Very low | 22.5 | Very low | 162 Ų | 162 | 160.6 Ų | 160.6 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -106.1 | 101.6 | 167.3 | -80.9 | 168.7 | 0 | 0 | 0 | 109.8 | Q323 M327 | Q323-L325 PolarHBondContact O-N 3.45Å; L325-M327 PolarHBondContact O-N 3.44Å | ||
| 326 | R | 22.4 | Very low | 22.5 | Very low | 239 Ų | 239 | 161.9 Ų | 161.9 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -45.9 | 111.3 | 176.8 | -153.6 | 172.8 | -172.5 | 168.2 | 0.8 | 111.9 | K328 | R326-K328 PolarHBondContact O-N 3.37Š| ||
| 327 | M | 20.1 | Very low | 22.5 | Very low | 182 Ų | 182 | 161.9 Ų | 161.9 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 123.6 | 167.6 | -74.2 | -72.9 | -177.4 | 0 | 0 | 109.4 | L325 | L325-M327 PolarHBondContact O-N 3.44Š|
| 328 | K | 22.8 | Very low | 22.7 | Very low | 196 Ų | 196 | 156.2 Ų | 156.2 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 132.5 | 169.3 | -79 | -177.4 | 175.5 | 179.7 | 0 | 108.9 | R326 | R326-K328 PolarHBondContact O-N 3.37Š|
| 329 | P | 22.9 | Very low | 22.5 | Very low | 122 Ų | 122 | 157.4 Ų | 157.4 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75 | 128.2 | -179.2 | 29.8 | -31.2 | 0 | 0 | 0 | 110.1 | K331 | P329-K331 PolarHBondContact O-N 2.98Š|
| 330 | I | 23.8 | Very low | 22.6 | Very low | 161 Ų | 161 | 156.4 Ų | 156.4 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -75.7 | 114.5 | 172.8 | -64.7 | 168.3 | 0 | 0 | 0 | 106.6 | I332 | I330-I332 PolarHBondContact O-N 3.41Š| ||
| 331 | K | 22.3 | Very low | 22.4 | Very low | 193 Ų | 193 | 157.2 Ų | 157.2 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -66.2 | 122.8 | 172.7 | -78.7 | -178.2 | 173.4 | -175.8 | 0 | 108.7 | P329 S333 | P329-K331 PolarHBondContact O-N 2.98Å; K331-S333 PolarHBondContact O-N 3.47Å | ||
| 332 | I | 22.4 | Very low | 22.4 | Very low | 157 Ų | 157 | 157.7 Ų | 157.7 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | trans | -74.5 | 113.4 | 167.5 | -61.3 | 162.9 | 0 | 0 | 0 | 105.4 | I330 | I330-I332 PolarHBondContact O-N 3.41Š| ||
| 333 | S | 23.1 | Very low | 22.5 | Very low | 100 Ų | 100 | 159.1 Ų | 159.1 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -110.5 | 113 | 168.3 | 50.9 | 0 | 0 | 0 | 0 | 107.2 | K331 D335 | K331-S333 PolarHBondContact O-N 3.47Å; S333-D335 PolarHBondContact O-N 3.36Å | ||
| 334 | D | 20.5 | Very low | 22.5 | Very low | 138 Ų | 138 | 156.8 Ų | 156.8 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | -58.8 | 120.8 | 168.3 | -61.8 | -49.8 | 0 | 0 | 0 | 109 | ||||
| 335 | D | 24.3 | Very low | 22.6 | Very low | 157 Ų | 157 | 154.7 Ų | 154.7 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -132.3 | 123.3 | 161.3 | -94.5 | -33.9 | 0 | 0 | 0 | 108.6 | S333 | S333-D335 PolarHBondContact O-N 3.36Š| ||
| 336 | H | 23.8 | Very low | 22.6 | Very low | 152 Ų | 152 | 158.1 Ų | 158.1 | 70% | 0.704 | 80% | 0.798 | S | S | * | * | trans | -63.4 | 140 | -171.3 | -81.2 | -85.4 | 0 | 0 | 0 | 114.1 | ||||
| 337 | D | 21.9 | Very low | 22.7 | Very low | 134 Ų | 134 | 154.4 Ų | 154.4 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | 40.3 | 90.9 | 129.6 | -51.2 | -40.1 | 0 | 0 | 0 | 117.1 | |||||
| 338 | T | 25 | Very low | 22.9 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -124.6 | 83.7 | 149.5 | 33.9 | 0 | 0 | 0 | 0 | 108.3 | L340 | T338-L340 VanDerWaalsContact C-N 3.34Å; T338-L340 PolarHBondContact O-N 3.18Å | ||
| 339 | E | 21.7 | Very low | 23.1 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -61.8 | 95.6 | 163.3 | -74.4 | -175.9 | 147.1 | 0 | 0 | 108.3 | E341 | E339-E341 PolarHBondContact O-N 3.45Å; E339-E341 VanDerWaalsContact O-N 3.16Å | ||
| 340 | L | 22.8 | Very low | 23.1 | Very low | 144 Ų | 144 | 156 Ų | 156 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -73.4 | 100.8 | 166.4 | -113.8 | 92.1 | 0 | 0 | 0 | 108.4 | T338 C342 | T338-L340 VanDerWaalsContact C-N 3.34Å; T338-L340 PolarHBondContact O-N 3.18Å; L340-C342 PolarHBondContact O-N 3.28Å | ||
| 341 | E | 20.7 | Very low | 23.2 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -52.7 | 100.1 | 160.9 | -76.4 | -179.2 | 139.5 | 0 | 0 | 109.6 | E339 D343 | E339-E341 PolarHBondContact O-N 3.45Å; E339-E341 VanDerWaalsContact O-N 3.16Å; E341-D343 PolarHBondContact O-N 3.42Å | ||
| 342 | C | 21.7 | Very low | 23.3 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -91.6 | 98 | 167.9 | -77.1 | 0 | 0 | 0 | 0 | 108.7 | L340 T344 | L340-C342 PolarHBondContact O-N 3.28Å; C342-T344 PolarHBondContact O-N 3.42Å | ||
| 343 | D | 21.8 | Very low | 23.3 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -37.4 | 115 | 173.1 | -88.1 | -39.4 | 0 | 0 | 0 | 113.2 | E341 N345 | E341-D343 PolarHBondContact O-N 3.42Å; D343-N345 PolarHBondContact O-N 3.35Å | ||
| 344 | T | 23.8 | Very low | 23.2 | Very low | 139 Ų | 139 | 153.4 Ų | 153.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -68.1 | 67.7 | 168 | 43.4 | 0 | 0 | 0 | 0 | 110.9 | C342 R346 | C342-T344 PolarHBondContact O-N 3.42Å; T344-R346 PolarHBondContact O-N 3.27Å | ||
| 345 | N | 23.8 | Very low | 23.3 | Very low | 125 Ų | 125 | 157.5 Ų | 157.5 | 67% | 0.668 | 80% | 0.8 | S | S | * | * | trans | -84 | 93.5 | 175.5 | -90.8 | -35.3 | 0 | 0 | 0 | 111 | D343 I347 | D343-N345 PolarHBondContact O-N 3.35Å; N345-I347 PolarHBondContact O-N 3.27Å | ||
| 346 | R | 23.1 | Very low | 23.2 | Very low | 233 Ų | 233 | 159.1 Ų | 159.1 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | 30.5 | 78.4 | 143.4 | -74.4 | 179.9 | 170.5 | 172.8 | -1.3 | 116.1 | T344 N348 | T344-R346 PolarHBondContact O-N 3.27Å; R346-N348 PolarHBondContact O-N 3.47Å | ||
| 347 | I | 24.9 | Very low | 23.1 | Very low | 162 Ų | 162 | 157.8 Ų | 157.8 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -77.8 | 105.5 | 156.1 | -62.2 | 176 | 0 | 0 | 0 | 107.4 | N345 I349 | N345-I347 PolarHBondContact O-N 3.27Å; I347-I349 WeakPolarHBondContact O-CG1 3.42Å; I347-I349 PolarHBondContact O-N 2.86Å; I347-I349 VanDerWaalsContact O-N 3.14Å | ||
| 348 | N | 24.3 | Very low | 23.2 | Very low | 133 Ų | 133 | 154.3 Ų | 154.3 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | -67.2 | 98.7 | -175.4 | -149.2 | -15.1 | 0 | 0 | 0 | 110.3 | R346 R350 | R346-N348 PolarHBondContact O-N 3.47Å; N348-R350 PolarHBondContact O-N 3.32Å | ||
| 349 | I | 26 | Very low | 23.1 | Very low | 167 Ų | 167 | 158 Ų | 158 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 52.3 | -177.6 | -49.8 | 173.2 | 0 | 0 | 0 | 111.2 | I347 | I347-I349 WeakPolarHBondContact O-CG1 3.42Å; I347-I349 PolarHBondContact O-N 2.86Å; I347-I349 VanDerWaalsContact O-N 3.14Å |
| 350 | R | 24.3 | Very low | 23.1 | Very low | 234 Ų | 234 | 156.5 Ų | 156.5 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.9 | 10.1 | -179.5 | -105.7 | -175.3 | 179.2 | 170.4 | 0.8 | 116.7 | N348 | N348-R350 PolarHBondContact O-N 3.32Š|
| 351 | S | 25.8 | Very low | 23 | Very low | 109 Ų | 109 | 158.6 Ų | 158.6 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -118.2 | 13.1 | -179 | 63.4 | 0 | 0 | 0 | 0 | 117.1 | ||
| 352 | C | 23.3 | Very low | 22.9 | Very low | 124 Ų | 124 | 156.2 Ų | 156.2 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -120.9 | 12.3 | 178.4 | -77 | 0 | 0 | 0 | 0 | 116.1 | ||
| 353 | I | 22.1 | Very low | 22.7 | Very low | 165 Ų | 165 | 158.8 Ų | 158.8 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -105.2 | 76.2 | 172.5 | -54.9 | 176.3 | 0 | 0 | 0 | 109.1 | ||||
| 354 | L | 21.2 | Very low | 22.6 | Very low | 157 Ų | 157 | 159.6 Ų | 159.6 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -151.7 | 126.6 | 161.5 | -94.9 | 172.9 | 0 | 0 | 0 | 109.5 | ||||
| 355 | R | 22.1 | Very low | 22.4 | Very low | 224 Ų | 224 | 160.1 Ų | 160.1 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 85.3 | 69.6 | 166 | -52.7 | -177.1 | -165.6 | 167.5 | 4.4 | 118.2 | ||||
| 356 | L | 23.4 | Very low | 22.3 | Very low | 191 Ų | 191 | 159.9 Ų | 159.9 | 100% | 1 | 82% | 0.819 | S | S | * | * | trans | -124.8 | 69.9 | 133.9 | -76.9 | 167.3 | 0 | 0 | 0 | 107.9 | ||||
| 357 | S | 21.5 | Very low | 22 | Very low | 124 Ų | 124 | 157.6 Ų | 157.6 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -99.7 | 137.1 | 166.3 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 358 | G | 23 | Very low | 22 | Very low | 61 Ų | 61 | 155.4 Ų | 155.4 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | trans | 118.4 | 87.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 359 | K | 24.2 | Very low | 21.7 | Very low | 205 Ų | 205 | 157 Ų | 157 | 89% | 0.891 | 83% | 0.826 | S | S | * | * | -166.8 | 91.4 | 125.1 | -100 | 162.3 | -170.9 | -174.9 | 0 | 109.1 | H361 | K359-H361 PolarHBondContact O-N 3.47Š| |||
| 360 | N | 21.5 | Very low | 21.5 | Very low | 156 Ų | 156 | 152.1 Ų | 152.1 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -51.9 | 122.7 | 161.1 | -68.9 | -21.4 | 0 | 0 | 0 | 109.3 | ||||
| 361 | H | 21 | Very low | 21.4 | Very low | 189 Ų | 189 | 151 Ų | 151 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | trans | -119 | 98 | 149.3 | -99.2 | -76 | 0 | 0 | 0 | 107 | K359 | K359-H361 PolarHBondContact O-N 3.47Š| ||
| 362 | M | 17.5 | Very low | 21.2 | Very low | 136 Ų | 136 | 151.2 Ų | 151.2 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | trans | -81.5 | 163.9 | 165.2 | -99 | -128.5 | 52.5 | 0 | 0 | 110.3 | ||||
| 363 | F | 19.1 | Very low | 21.1 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 72% | 0.724 | 82% | 0.819 | S | S | * | * | trans | 90 | 127.5 | 167.8 | -63.8 | -74.1 | 0 | 0 | 0 | 115.1 | ||||
| 364 | L | 19.2 | Very low | 21.1 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | cis | -154.2 | 142.4 | 8.8 | -94.8 | 147.9 | 0 | 0 | 0 | 109.7 | ||||
| 365 | N | 18.5 | Very low | 21.2 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -66.3 | 138.1 | 161.2 | -76.1 | -17.5 | 0 | 0 | 0 | 109.9 | ||||
| 366 | S | 21.9 | Very low | 21.3 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -134.9 | 97.2 | 155.3 | 61.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 367 | E | 18.2 | Very low | 21.2 | Very low | 184 Ų | 184 | 143 Ų | 143 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -71.5 | 130.6 | 161.1 | -65.1 | 174.9 | 159.4 | 0 | 0 | 108.5 | ||||
| 368 | S | 23.8 | Very low | 21.2 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -158.2 | 124.2 | 150.7 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 369 | N | 19.3 | Very low | 21.1 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -60.3 | 147.5 | -174 | -65.8 | -42.1 | 0 | 0 | 0 | 115.8 | ||||
| 370 | G | 20.3 | Very low | 21 | Very low | 66 Ų | 66 | 142.6 Ų | 142.6 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | 55.7 | 117 | 126.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 371 | F | 22.5 | Very low | 21 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | -175 | 153.5 | 109.8 | -115.8 | -93 | 0 | 0 | 0 | 110.6 | |||||
| 372 | T | 22.1 | Very low | 21.2 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | trans | -89.6 | 166.5 | -165.1 | 45.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 373 | D | 20.9 | Very low | 21.6 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | trans | 83 | 128 | 153.2 | -82.1 | -17.8 | 0 | 0 | 0 | 121.7 | ||||
| 374 | G | 22.8 | Very low | 21.8 | Very low | 57 Ų | 57 | 135.4 Ų | 135.4 | 59% | 0.588 | 77% | 0.767 | S | S | * | * | trans | 143.2 | 76.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S376 | G374-S376 VanDerWaalsContact C-N 3.29Å; G374-S376 PolarHBondContact O-N 2.89Å; G374-S376 PolarHBondContact O-OG 3.29Å; G374-S376 VanDerWaalsContact O-OG 3.13Å | ||
| 375 | D | 23.1 | Very low | 22.1 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 94% | 0.936 | 76% | 0.76 | S | S | * | * | trans | -40.4 | 88.2 | 168.1 | -85.1 | -36.1 | 0 | 0 | 0 | 112.1 | ||||
| 376 | S | 23.3 | Very low | 22.5 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -106.7 | 83.6 | 173.1 | -62.3 | 0 | 0 | 0 | 0 | 105.9 | G374 C378 | G374-S376 VanDerWaalsContact C-N 3.29Å; G374-S376 PolarHBondContact O-N 2.89Å; G374-S376 PolarHBondContact O-OG 3.29Å; G374-S376 VanDerWaalsContact O-OG 3.13Å; S376-C378 PolarHBondContact O-N 2.8Å | ||
| 377 | Q | 22.1 | Very low | 22.6 | Very low | 184 Ų | 184 | 129.1 Ų | 129.1 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -46 | 113.9 | 171 | -80 | 177.4 | -17.3 | 0 | 0 | 109.1 | I379 | Q377-I379 PolarHBondContact O-N 2.76Š| ||
| 378 | C | 20.8 | Very low | 23 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | trans | -51.6 | 115.8 | 178.2 | -68.4 | 0 | 0 | 0 | 0 | 109.9 | S376 V380 | S376-C378 PolarHBondContact O-N 2.8Å; C378-V380 HydrophobicContact CB-CG2 4.24Å; C378-V380 PolarHBondContact O-N 3.31Å | ||
| 379 | I | 21.9 | Very low | 23 | Very low | 151 Ų | 151 | 127.1 Ų | 127.1 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | trans | -68.2 | 84.5 | 169.7 | -59.9 | 172.9 | 0 | 0 | 0 | 107.2 | Q377 K381 | Q377-I379 PolarHBondContact O-N 2.76Å; I379-K381 HydrophobicContact CG2-CG 4.2Å; I379-K381 PolarHBondContact O-N 3.01Å; I379-K381 VanDerWaalsContact O-N 3.07Å | ||
| 380 | V | 21.8 | Very low | 23.3 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | trans | -77.8 | 89.5 | 171.9 | -175.3 | 0 | 0 | 0 | 0 | 107.5 | C378 S382 | C378-V380 HydrophobicContact CB-CG2 4.24Å; C378-V380 PolarHBondContact O-N 3.31Å; V380-S382 PolarHBondContact O-N 3.49Å | ||
| 381 | K | 21.7 | Very low | 23.5 | Very low | 177 Ų | 177 | 129.5 Ų | 129.5 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -65.2 | 103.2 | 164.4 | -75.9 | -178.5 | 178.7 | 175.9 | 0 | 107.9 | I379 S383 | I379-K381 HydrophobicContact CG2-CG 4.2Å; I379-K381 PolarHBondContact O-N 3.01Å; I379-K381 VanDerWaalsContact O-N 3.07Å; K381-S383 PolarHBondContact O-N 3.2Å; K381-S383 PolarHBondContact O-OG 2.86Å | ||
| 382 | S | 24.4 | Very low | 23.6 | Very low | 89 Ų | 89 | 128 Ų | 128 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | trans | -59.5 | 109.6 | 179.7 | 60.2 | 0 | 0 | 0 | 0 | 110.5 | V380 Y384 | V380-S382 PolarHBondContact O-N 3.49Å; S382-Y384 PolarHBondContact O-N 3.4Å | ||
| 383 | S | 24.9 | Very low | 23.5 | Very low | 82 Ų | 82 | 131.7 Ų | 131.7 | 57% | 0.573 | 76% | 0.763 | S | S | * | * | trans | -85.9 | 82 | -178 | -61.7 | 0 | 0 | 0 | 0 | 110.4 | K381 | K381-S383 PolarHBondContact O-N 3.2Å; K381-S383 PolarHBondContact O-OG 2.86Å | ||
| 384 | Y | 23.4 | Very low | 23.7 | Very low | 147 Ų | 147 | 130 Ų | 130 | 58% | 0.576 | 75% | 0.752 | S | S | * | * | trans | -140.3 | 84.2 | 165 | -90.5 | -87.8 | 0 | 0 | 0 | 108 | S382 | S382-Y384 PolarHBondContact O-N 3.4Š| ||
| 385 | S | 25.9 | Very low | 23.9 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | -119.9 | 115.7 | 161.2 | 74.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 386 | G | 27.1 | Very low | 23.9 | Very low | 66 Ų | 66 | 135.4 Ų | 135.4 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | trans | -56.3 | 141.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S388 | G386-S388 PolarHBondContact O-N 2.86Å; G386-S388 VanDerWaalsContact O-N 3.08Å | ||
| 387 | S | 24.9 | Very low | 24.1 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -52.5 | 106.5 | -175.9 | -47.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 388 | S | 25.8 | Very low | 24.4 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -164 | 70 | 159.9 | 43.9 | 0 | 0 | 0 | 0 | 110.5 | G386 | G386-S388 PolarHBondContact O-N 2.86Å; G386-S388 VanDerWaalsContact O-N 3.08Å | ||
| 389 | N | 24.4 | Very low | 25 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | 172.9 | 89.7 | 148 | -94.5 | -23 | 0 | 0 | 0 | 109.6 | S391 | N389-S391 PolarHBondContact O-N 3Š| ||
| 390 | L | 24.7 | Very low | 25.5 | Very low | 190 Ų | 190 | 135.7 Ų | 135.7 | 100% | 0.995 | 74% | 0.743 | S | S | * | * | trans | -83.4 | 81.5 | 170.2 | -82.9 | 158.2 | 0 | 0 | 0 | 109 | ||||
| 391 | S | 24.9 | Very low | 25.8 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | -147.3 | 54.4 | 163.8 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | N389 | N389-S391 PolarHBondContact O-N 3Š| ||
| 392 | H | 24.2 | Very low | 26.5 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | -177 | 118.7 | 145.2 | -115 | -89.3 | 0 | 0 | 0 | 110.3 | I394 | H392-I394 VanDerWaalsContact C-N 3.35Å; H392-I394 PolarHBondContact O-N 3.14Å | ||
| 393 | M | 21.1 | Very low | 26.9 | Very low | 191 Ų | 191 | 135.4 Ų | 135.4 | 94% | 0.941 | 73% | 0.727 | S | S | * | * | trans | -73.3 | 75.8 | 179.5 | -73.2 | -170.2 | 76 | 0 | 0 | 112.5 | ||||
| 394 | I | 25.2 | Very low | 27.2 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | trans | -101.5 | 110.8 | 162.3 | -60.3 | 175.7 | 0 | 0 | 0 | 107.9 | H392 R396 | H392-I394 VanDerWaalsContact C-N 3.35Å; H392-I394 PolarHBondContact O-N 3.14Å; I394-R396 PolarHBondContact O-N 3.42Å | ||
| 395 | T | 25.8 | Very low | 27.4 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -51.5 | 101.2 | 178.6 | 48.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 396 | R | 24.7 | Very low | 27.7 | Very low | 210 Ų | 210 | 136.7 Ų | 136.7 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | trans | -87.8 | 122.7 | 177.3 | -69.2 | -174 | -174.5 | -174.1 | 2.6 | 110.4 | I394 | I394-R396 PolarHBondContact O-N 3.42Š| ||
| 397 | K | 26.9 | Very low | 27.9 | Very low | 173 Ų | 173 | 140 Ų | 140 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | -71.6 | 138.5 | 174.1 | -71 | -177.2 | 174.5 | -176.5 | 0 | 111 | E399 | K397-E399 VanDerWaalsContact C-N 3.3Å; K397-E399 HydrophobicContact CB-CG 4.5Å; K397-E399 PolarHBondContact O-N 2.87Å | ||
| 398 | P | 29 | Very low | 28.3 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -83.9 | 20.7 | -168.9 | 33.4 | -36 | 0 | 0 | 0 | 115.7 | N400 | P398-N400 VanDerWaalsContact C-N 3.35Å; P398-N400 PolarHBondContact O-N 3.39Å |
| 399 | E | 32.4 | Very low | 28.8 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -5.6 | -164.4 | -59.3 | 177.1 | -145.8 | 0 | 0 | 115.6 | K397 | K397-E399 VanDerWaalsContact C-N 3.3Å; K397-E399 HydrophobicContact CB-CG 4.5Å; K397-E399 PolarHBondContact O-N 2.87Å |
| 400 | N | 33 | Very low | 29.4 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | 17.8 | -168.7 | -80.1 | 8.8 | 0 | 0 | 0 | 116.7 | P398 | P398-N400 VanDerWaalsContact C-N 3.35Å; P398-N400 PolarHBondContact O-N 3.39Å |
| 401 | C | 28.4 | Very low | 30.4 | Very low | 52 Ų | 52 | 127.9 Ų | 127.9 | 35% | 0.351 | 68% | 0.683 | S | S | . | * | trans | -99.8 | 91.5 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | R403 C404 | C401-R403 PolarHBondContact O-N 3.4Å; C401-C404 HydrophobicContact CB-CB 4.34Å; C401-C404 WeakPolarHBondContact CB-SG 3.12Å; C401-C404 PolarHBondContact O-N 3.03Å; C401-C404 WeakPolarHBondContact SG-CB 3.34Å; C401-C404 PolarHBondContact SG-N 3.29Å; C401-C404 CovalentContact SG-SG 2.02Å; C401-C404 PolarHBondContact SG-SG 3.41Å | ||
| 402 | Q | 36.6 | Very low | 31.1 | Very low | 190 Ų | 190 | 127.1 Ų | 127.1 | 89% | 0.888 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 6.4 | -178 | -123.5 | 154.3 | -17.8 | 0 | 0 | 115.1 | ||
| 403 | R | 31 | Very low | 31.8 | Very low | 137 Ų | 137 | 122.1 Ų | 122.1 | 52% | 0.517 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127 | -18.6 | 177 | -149.1 | 86.7 | -176.7 | -160.8 | 1 | 114.4 | C401 H405 | C401-R403 PolarHBondContact O-N 3.4Å; R403-H405 PolarHBondContact O-N 2.93Å |
| 404 | C | 31.9 | Very low | 33 | Very low | 67 Ų | 67 | 115.4 Ų | 115.4 | 45% | 0.453 | 63% | 0.629 | S | S | . | * | trans | -93.5 | 95.7 | 179.5 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | C401 S406 | C401-C404 HydrophobicContact CB-CB 4.34Å; C401-C404 WeakPolarHBondContact CB-SG 3.12Å; C401-C404 PolarHBondContact O-N 3.03Å; C401-C404 WeakPolarHBondContact SG-CB 3.34Å; C401-C404 PolarHBondContact SG-N 3.29Å; C401-C404 CovalentContact SG-SG 2.02Å; C401-C404 PolarHBondContact SG-SG 3.41Å; C404-S406 PolarHBondContact O-N 3.48Å | ||
| 405 | H | 28.9 | Very low | 34 | Very low | 193 Ų | 193 | 116.2 Ų | 116.2 | 89% | 0.894 | 62% | 0.623 | S | S | * | * | trans | -68.8 | 27.4 | 169.5 | -79 | -81.7 | 0 | 0 | 0 | 113.8 | R403 V407 | R403-H405 PolarHBondContact O-N 2.93Å; H405-V407 PolarHBondContact O-N 3.26Å | ||
| 406 | S | 30.7 | Very low | 34.8 | Very low | 90 Ų | 90 | 117.8 Ų | 117.8 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -90.1 | 87.1 | 172.6 | 56.5 | 0 | 0 | 0 | 0 | 110 | C404 | C404-S406 PolarHBondContact O-N 3.48Š|
| 407 | V | 30.9 | Very low | 35.3 | Very low | 136 Ų | 136 | 116.1 Ų | 116.1 | 82% | 0.824 | 61% | 0.608 | S | S | * | * | trans | 69 | 70.6 | 156 | -158.4 | 0 | 0 | 0 | 0 | 116.1 | H405 | H405-V407 PolarHBondContact O-N 3.26Š| ||
| 408 | G | 34.2 | Very low | 36.4 | Very low | 57 Ų | 57 | 114.5 Ų | 114.5 | 59% | 0.588 | 60% | 0.603 | S | S | * | * | trans | -81.1 | 148.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 409 | N | 36.1 | Very low | 37.4 | Very low | 98 Ų | 98 | 112.1 Ų | 112.1 | 52% | 0.524 | 59% | 0.589 | S | S | . | * | trans | -55.2 | 125.3 | -179.3 | -170.6 | -10.2 | 0 | 0 | 0 | 111.2 | S411 D412 | N409-S411 PolarHBondContact O-N 2.73Å; N409-D412 PolarHBondContact O-N 3.23Å; N409-D412 VanDerWaalsContact O-N 3.11Å | ||
| 410 | P | 37.2 | Very low | 37.8 | Very low | 103 Ų | 103 | 107.1 Ų | 107.1 | 67% | 0.669 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -51.7 | -30.8 | -174.4 | -28.9 | 33.4 | 0 | 0 | 0 | 115.3 | D412 A414 | P410-D412 PolarHBondContact O-N 2.74Å; P410-A414 PolarHBondContact O-N 2.91Å; P410-A414 VanDerWaalsContact O-N 3.16Å |
| 411 | S | 46.5 | Very low | 38.3 | Very low | 65 Ų | 65 | 104.8 Ų | 104.8 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -37.4 | -178.4 | -46.8 | 0 | 0 | 0 | 0 | 113.2 | N409 R415 | N409-S411 PolarHBondContact O-N 2.73Å; S411-R415 PolarHBondContact O-N 2.83Å |
| 412 | D | 38.9 | Very low | 39.2 | Very low | 77 Ų | 77 | 110.8 Ų | 110.8 | 41% | 0.412 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -81.4 | -32.6 | -176.2 | -59.1 | -39.2 | 0 | 0 | 0 | 111.2 | N409 P410 A414 R415 W416 | N409-D412 PolarHBondContact O-N 3.23Å; N409-D412 VanDerWaalsContact O-N 3.11Å; P410-D412 PolarHBondContact O-N 2.74Å; D412-A414 VanDerWaalsContact C-N 3.34Å; D412-R415 PolarHBondContact O-N 2.98Å; D412-R415 IonicContact OD1-CZ 3.65Å; D412-R415 IonicContact OD1-NH1 2.65Å; D412-R415 PolarHBondContact OD1-NH1 2.75Å; D412-R415 IonicContact OD1-NH2 2.65Å; D412-W416 WeakPolarHBondContact O-CB 3.28Å; D412-W416 PolarHBondContact O-N 3.33Å |
| 413 | V | 39.7 | Very low | 39.6 | Very low | 74 Ų | 74 | 105.5 Ų | 105.5 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.7 | -42 | 171.5 | -179 | 0 | 0 | 0 | 0 | 110.8 | W416 W417 | V413-W416 PolarHBondContact O-N 3.2Å; V413-W417 PolarHBondContact O-N 3.1Å |
| 414 | A | 45.8 | Very low | 39.9 | Very low | 49 Ų | 49 | 105.6 Ų | 105.6 | 41% | 0.405 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P410 D412 W417 Q418 | P410-A414 PolarHBondContact O-N 2.91Å; P410-A414 VanDerWaalsContact O-N 3.16Å; D412-A414 VanDerWaalsContact C-N 3.34Å; A414-W417 PolarHBondContact O-N 3.49Å; A414-Q418 WeakPolarHBondContact O-CG 3.23Å; A414-Q418 PolarHBondContact O-N 3.05Å |
| 415 | R | 46.2 | Very low | 40.5 | Very low | 150 Ų | 150 | 110 Ų | 110 | 57% | 0.566 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.4 | -37.7 | 178.4 | -132.4 | -179.3 | -72.2 | 106.7 | -2.1 | 112 | S411 D412 Q418 S419 | S411-R415 PolarHBondContact O-N 2.83Å; D412-R415 PolarHBondContact O-N 2.98Å; D412-R415 IonicContact OD1-CZ 3.65Å; D412-R415 IonicContact OD1-NH1 2.65Å; D412-R415 PolarHBondContact OD1-NH1 2.75Å; D412-R415 IonicContact OD1-NH2 2.65Å; R415-Q418 PolarHBondContact O-N 2.85Å; R415-S419 PolarHBondContact O-N 3.2Å; R415-S419 VanDerWaalsContact O-N 3.08Å |
| 416 | W | 41.5 | Very low | 41.5 | Very low | 168 Ų | 168 | 106 Ų | 106 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.9 | -46.7 | 174.6 | -175.1 | 76.1 | 0 | 0 | 0 | 112.2 | D412 V413 Q418 S419 C420 | D412-W416 WeakPolarHBondContact O-CB 3.28Å; D412-W416 PolarHBondContact O-N 3.33Å; V413-W416 PolarHBondContact O-N 3.2Å; W416-Q418 VanDerWaalsContact C-N 3.33Å; W416-Q418 PolarHBondContact O-N 2.54Å; W416-S419 WeakPolarHBondContact O-CA 3.45Å; W416-S419 WeakPolarHBondContact O-CB 3.25Å; W416-S419 PolarHBondContact O-N 2.93Å; W416-C420 PolarHBondContact O-N 3.4Å |
| 417 | W | 35.3 | Very low | 41.9 | Very low | 174 Ų | 174 | 106.7 Ų | 106.7 | 66% | 0.659 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.5 | -41 | 174.9 | -94.8 | 85.4 | 0 | 0 | 0 | 112.6 | V413 A414 S419 C420 D421 | V413-W417 PolarHBondContact O-N 3.1Å; A414-W417 PolarHBondContact O-N 3.49Å; W417-S419 VanDerWaalsContact C-N 3.27Å; W417-S419 PolarHBondContact O-N 2.85Å; W417-C420 PolarHBondContact O-N 3.48Å; W417-D421 PolarHBondContact O-N 3.34Å |
| 418 | Q | 50.6 | Low | 42.4 | Very low | 140 Ų | 140 | 102 Ų | 102 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -34.8 | 174.5 | -74.3 | 176.7 | 12.3 | 0 | 0 | 112.3 | A414 R415 W416 R422 | A414-Q418 WeakPolarHBondContact O-CG 3.23Å; A414-Q418 PolarHBondContact O-N 3.05Å; R415-Q418 PolarHBondContact O-N 2.85Å; W416-Q418 VanDerWaalsContact C-N 3.33Å; W416-Q418 PolarHBondContact O-N 2.54Å; Q418-R422 PolarHBondContact O-N 3.3Å; Q418-R422 VanDerWaalsContact O-N 3.14Å |
| 419 | S | 48.8 | Very low | 42.9 | Very low | 69 Ų | 69 | 107.6 Ų | 107.6 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.1 | -42.3 | 175.8 | -159.8 | 0 | 0 | 0 | 0 | 111.7 | R415 W416 W417 D421 R422 V423 | R415-S419 PolarHBondContact O-N 3.2Å; R415-S419 VanDerWaalsContact O-N 3.08Å; W416-S419 WeakPolarHBondContact O-CA 3.45Å; W416-S419 WeakPolarHBondContact O-CB 3.25Å; W416-S419 PolarHBondContact O-N 2.93Å; W417-S419 VanDerWaalsContact C-N 3.27Å; W417-S419 PolarHBondContact O-N 2.85Å; S419-D421 PolarHBondContact O-N 3.41Å; S419-R422 WeakPolarHBondContact O-CB 3.32Å; S419-R422 PolarHBondContact O-N 3.49Å; S419-V423 WeakPolarHBondContact O-CG2 3.32Å; S419-V423 PolarHBondContact O-N 3.46Å |
| 420 | C | 41.1 | Very low | 43.2 | Very low | 43 Ų | 43 | 107.6 Ų | 107.6 | 29% | 0.291 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 175.1 | -69.3 | 0 | 0 | 0 | 0 | 112.5 | W416 W417 R422 V423 Q424 | W416-C420 PolarHBondContact O-N 3.4Å; W417-C420 PolarHBondContact O-N 3.48Å; C420-R422 VanDerWaalsContact C-N 3.3Å; C420-R422 PolarHBondContact O-N 2.91Å; C420-V423 PolarHBondContact O-N 3.36Å; C420-Q424 PolarHBondContact O-N 2.96Å |
| 421 | D | 43.5 | Very low | 43.3 | Very low | 68 Ų | 68 | 107.8 Ų | 107.8 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.5 | -31.9 | 176.6 | -163.5 | 36.6 | 0 | 0 | 0 | 111.7 | W417 S419 R425 | W417-D421 PolarHBondContact O-N 3.34Å; S419-D421 PolarHBondContact O-N 3.41Å; D421-R425 WeakPolarHBondContact O-CB 3.46Å; D421-R425 WeakPolarHBondContact O-CG 3.2Å; D421-R425 PolarHBondContact O-N 3.13Å; D421-R425 IonicContact OD2-CZ 3.6Å; D421-R425 IonicContact OD2-NE 2.92Å; D421-R425 IonicContact OD2-NH2 2.69Å; D421-R425 PolarHBondContact OD2-NH2 3.06Å |
| 422 | R | 48.4 | Very low | 42.7 | Very low | 179 Ų | 179 | 111.9 Ų | 111.9 | 68% | 0.675 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.1 | -41.8 | 171.2 | -158.4 | 176.9 | -160.2 | 171.2 | 5 | 111.7 | Q418 S419 C420 R425 I426 | Q418-R422 PolarHBondContact O-N 3.3Å; Q418-R422 VanDerWaalsContact O-N 3.14Å; S419-R422 WeakPolarHBondContact O-CB 3.32Å; S419-R422 PolarHBondContact O-N 3.49Å; C420-R422 VanDerWaalsContact C-N 3.3Å; C420-R422 PolarHBondContact O-N 2.91Å; R422-R425 PolarHBondContact O-N 3.35Å; R422-I426 HydrophobicContact CG-CD1 4.36Å; R422-I426 VanDerWaalsContact O-CG1 3.3Å; R422-I426 WeakPolarHBondContact O-CG1 3.29Å; R422-I426 PolarHBondContact O-N 3.18Å |
| 423 | V | 44.7 | Very low | 42.6 | Very low | 79 Ų | 79 | 114.9 Ų | 114.9 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67 | -40.5 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | S419 C420 I426 L427 | S419-V423 WeakPolarHBondContact O-CG2 3.32Å; S419-V423 PolarHBondContact O-N 3.46Å; C420-V423 PolarHBondContact O-N 3.36Å; V423-I426 PolarHBondContact O-N 2.88Å; V423-L427 HydrophobicContact CG1-CD1 3.81Å; V423-L427 WeakPolarHBondContact O-CB 3.44Å; V423-L427 WeakPolarHBondContact O-CG 3.42Å; V423-L427 PolarHBondContact O-N 3.13Å |
| 424 | Q | 37.9 | Very low | 42.2 | Very low | 138 Ų | 138 | 118.8 Ų | 118.8 | 65% | 0.645 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.9 | -38 | 174.3 | -83.7 | -177.8 | -38.8 | 0 | 0 | 112.6 | C420 L427 G428 | C420-Q424 PolarHBondContact O-N 2.96Å; Q424-L427 PolarHBondContact O-N 2.93Å; Q424-G428 PolarHBondContact O-N 3.49Å |
| 425 | R | 44.5 | Very low | 41.3 | Very low | 161 Ų | 161 | 120.9 Ų | 120.9 | 61% | 0.608 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70 | -31.8 | 175.4 | -80.5 | -172.3 | -107.7 | 142.2 | -9.3 | 113.7 | D421 R422 K429 | D421-R425 WeakPolarHBondContact O-CB 3.46Å; D421-R425 WeakPolarHBondContact O-CG 3.2Å; D421-R425 PolarHBondContact O-N 3.13Å; D421-R425 IonicContact OD2-CZ 3.6Å; D421-R425 IonicContact OD2-NE 2.92Å; D421-R425 IonicContact OD2-NH2 2.69Å; D421-R425 PolarHBondContact OD2-NH2 3.06Å; R422-R425 PolarHBondContact O-N 3.35Å; R425-K429 PolarHBondContact O-N 2.82Å |
| 426 | I | 49.1 | Very low | 40.5 | Very low | 108 Ų | 108 | 118.9 Ų | 118.9 | 55% | 0.554 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.2 | -45.1 | 174.4 | -68.3 | 166.4 | 0 | 0 | 0 | 109.9 | R422 V423 G428 K429 T430 | R422-I426 HydrophobicContact CG-CD1 4.36Å; R422-I426 VanDerWaalsContact O-CG1 3.3Å; R422-I426 WeakPolarHBondContact O-CG1 3.29Å; R422-I426 PolarHBondContact O-N 3.18Å; V423-I426 PolarHBondContact O-N 2.88Å; I426-G428 PolarHBondContact O-N 2.82Å; I426-K429 PolarHBondContact O-N 3.47Å; I426-T430 PolarHBondContact O-N 3.37Å; I426-T430 PolarHBondContact O-OG1 3.29Å |
| 427 | L | 39.5 | Very low | 39.7 | Very low | 105 Ų | 105 | 118 Ų | 118 | 55% | 0.55 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.5 | -37.3 | 178.6 | -75.2 | 164.6 | 0 | 0 | 0 | 112.6 | V423 Q424 K429 T430 T431 | V423-L427 HydrophobicContact CG1-CD1 3.81Å; V423-L427 WeakPolarHBondContact O-CB 3.44Å; V423-L427 WeakPolarHBondContact O-CG 3.42Å; V423-L427 PolarHBondContact O-N 3.13Å; Q424-L427 PolarHBondContact O-N 2.93Å; L427-K429 VanDerWaalsContact C-N 3.29Å; L427-K429 PolarHBondContact O-N 3.39Å; L427-T430 PolarHBondContact O-N 3.21Å; L427-T430 PolarHBondContact O-OG1 3.45Å; L427-T431 PolarHBondContact O-N 3.34Å; L427-T431 PolarHBondContact O-OG1 3.06Å |
| 428 | G | 41.4 | Very low | 39.5 | Very low | 37 Ų | 37 | 117.2 Ų | 117.2 | 38% | 0.381 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.4 | -23.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q424 I426 | Q424-G428 PolarHBondContact O-N 3.49Å; I426-G428 PolarHBondContact O-N 2.82Å |
| 429 | K | 43.7 | Very low | 38.3 | Very low | 174 Ų | 174 | 117.8 Ų | 117.8 | 76% | 0.757 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -81.7 | -26.3 | 175.3 | -83.6 | -174.2 | 175.2 | -174.9 | 0 | 113.2 | R425 I426 L427 | R425-K429 PolarHBondContact O-N 2.82Å; I426-K429 PolarHBondContact O-N 3.47Å; L427-K429 VanDerWaalsContact C-N 3.29Å; L427-K429 PolarHBondContact O-N 3.39Å |
| 430 | T | 42.1 | Very low | 37.3 | Very low | 99 Ų | 99 | 121.3 Ų | 121.3 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -83.5 | -17.8 | 179.4 | 41.2 | 0 | 0 | 0 | 0 | 114 | I426 L427 | I426-T430 PolarHBondContact O-N 3.37Å; I426-T430 PolarHBondContact O-OG1 3.29Å; L427-T430 PolarHBondContact O-N 3.21Å; L427-T430 PolarHBondContact O-OG1 3.45Å |
| 431 | T | 39.6 | Very low | 36.8 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 66% | 0.656 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -1.8 | -176.5 | 51 | 0 | 0 | 0 | 0 | 115.2 | L427 | L427-T431 PolarHBondContact O-N 3.34Å; L427-T431 PolarHBondContact O-OG1 3.06Å |
| 432 | L | 34.5 | Very low | 35.8 | Very low | 150 Ų | 150 | 127 Ų | 127 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 4 | -176.2 | -100.9 | 140.3 | 0 | 0 | 0 | 115.5 | ||
| 433 | I | 36 | Very low | 34.9 | Very low | 140 Ų | 140 | 125.5 Ų | 125.5 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -109 | -15.5 | -176.5 | -64.5 | -179.7 | 0 | 0 | 0 | 114.9 | ||
| 434 | N | 31.7 | Very low | 33.9 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -115.8 | 18.7 | -172.4 | -77.4 | 3.8 | 0 | 0 | 0 | 116.7 | ||
| 435 | A | 27.8 | Very low | 33.4 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | trans | -104.8 | 62.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 436 | S | 27.8 | Very low | 32.4 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -166.5 | 92.3 | 163.1 | -112 | 0 | 0 | 0 | 0 | 109.3 | ||
| 437 | N | 26.4 | Very low | 31.3 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | trans | 144 | 105.2 | 155.7 | -83.7 | -17.3 | 0 | 0 | 0 | 110.3 | ||||
| 438 | N | 29.3 | Very low | 30.6 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | 167.3 | 80.6 | 121.9 | -82.2 | -14.2 | 0 | 0 | 0 | 108.7 | |||||
| 439 | N | 26.9 | Very low | 29.7 | Very low | 152 Ų | 152 | 136 Ų | 136 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -74 | 149.5 | 149.1 | -84.6 | -18.4 | 0 | 0 | 0 | 108.1 | ||||
| 440 | N | 28.1 | Very low | 28.7 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 92.3 | 103.1 | 172.5 | -53.5 | -17.4 | 0 | 0 | 0 | 115.1 | ||||
| 441 | N | 29.5 | Very low | 27.7 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | -172.8 | 99.9 | 114.8 | -89 | -17 | 0 | 0 | 0 | 109.6 | |||||
| 442 | G | 23.5 | Very low | 26.8 | Very low | 70 Ų | 70 | 138.2 Ų | 138.2 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -78.5 | 135 | 153 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 443 | N | 28 | Very low | 26.4 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -160.5 | 110.6 | 155.6 | -98.5 | -21.4 | 0 | 0 | 0 | 110.9 | ||||
| 444 | N | 24.9 | Very low | 25.6 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 26.2 | 110.2 | 144.6 | -81.3 | -22.9 | 0 | 0 | 0 | 119.6 | ||||
| 445 | I | 27.4 | Very low | 25.2 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | trans | -104.8 | 96.5 | 157.3 | -61.4 | 169.7 | 0 | 0 | 0 | 107 | ||||
| 446 | N | 22.8 | Very low | 26.1 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -113 | 121.8 | 160.6 | -84.1 | -19.3 | 0 | 0 | 0 | 106.8 | ||||
| 447 | N | 25.6 | Very low | 25.8 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -178.4 | 107.9 | 134 | -89.4 | -13.2 | 0 | 0 | 0 | 112.2 | ||||
| 448 | S | 25.9 | Very low | 25.6 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 32.9 | 113.9 | 138.4 | 53.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 449 | I | 21.2 | Very low | 25.4 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -41.1 | 141.6 | 146.9 | -62 | 152.1 | 0 | 0 | 0 | 113.7 | Q451 | I449-Q451 HydrophobicContact CG2-CG 3.85Š| ||
| 450 | P | 23.4 | Very low | 25.4 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -112.4 | 120.3 | 139.2 | 28.7 | -15.6 | 0 | 0 | 0 | 110.3 | ||||
| 451 | Q | 20.8 | Very low | 25.1 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | -66.7 | 142.2 | 173.3 | -65.2 | 164.5 | -21.9 | 0 | 0 | 109.9 | I449 | I449-Q451 HydrophobicContact CG2-CG 3.85Š| ||
| 452 | T | 22.1 | Very low | 24.9 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -166 | 132.4 | 143.5 | 11.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 453 | T | 25.3 | Very low | 24.9 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | 81 | 76.5 | 159.4 | 63 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 454 | Q | 19.2 | Very low | 24.8 | Very low | 175 Ų | 175 | 148.5 Ų | 148.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -64.6 | 142.3 | 141.2 | -63.3 | 176.6 | -22.1 | 0 | 0 | 109 | ||||
| 455 | L | 23.4 | Very low | 24.8 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | 167.2 | 174 | 79.4 | -97.3 | 118.1 | 0 | 0 | 0 | 107.2 | |||||
| 456 | P | 46.4 | Very low | 24.7 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 60% | 0.604 | 79% | 0.794 | S | S | * | * | cis | -145 | 163.8 | -47.5 | 40.4 | -21.5 | 0 | 0 | 0 | 116.3 | ||||
| 457 | H | 21.4 | Very low | 24.8 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | trans | 29.1 | 122.5 | 138.2 | -67.5 | -84.7 | 0 | 0 | 0 | 122.2 | ||||
| 458 | N | 22.2 | Very low | 24.9 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | 164.9 | 119.3 | 107.2 | -97 | -50.1 | 0 | 0 | 0 | 111.6 | |||||
| 459 | L | 26.1 | Very low | 25.2 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -163.5 | 88.3 | 144.4 | -100.4 | 135.6 | 0 | 0 | 0 | 110.5 | ||||
| 460 | K | 26 | Very low | 26 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | 38.9 | 102.4 | 143.2 | -66.8 | 179.9 | 176.8 | 178.5 | 0 | 118.1 | G462 | K460-G462 PolarHBondContact O-N 3.16Š| ||
| 461 | N | 23 | Very low | 26.6 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | -54.2 | 94.7 | 153.4 | -72.8 | -21.5 | 0 | 0 | 0 | 110.9 | ||||
| 462 | G | 24.3 | Very low | 28.2 | Very low | 65 Ų | 65 | 141 Ų | 141 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | trans | -79.4 | 108.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108 | K460 Q464 | K460-G462 PolarHBondContact O-N 3.16Å; G462-Q464 VanDerWaalsContact C-N 3.33Å; G462-Q464 PolarHBondContact O-N 3.35Å | ||
| 463 | Q | 23.1 | Very low | 30.8 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | trans | -55.9 | 95.5 | 170.9 | -70.3 | 175.5 | -18.6 | 0 | 0 | 109 | S465 | Q463-S465 PolarHBondContact O-N 2.93Å; Q463-S465 VanDerWaalsContact O-N 3.12Å | ||
| 464 | Q | 25.9 | Very low | 33.9 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | trans | -70.5 | 107.3 | 166.4 | -77.4 | 179.6 | -3.9 | 0 | 0 | 106.9 | G462 N466 | G462-Q464 VanDerWaalsContact C-N 3.33Å; G462-Q464 PolarHBondContact O-N 3.35Å; Q464-N466 PolarHBondContact O-N 2.84Å | ||
| 465 | S | 25 | Very low | 37.3 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 69% | 0.692 | 67% | 0.674 | S | S | * | * | trans | -42.1 | 118.1 | 170.7 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | Q463 V467 | Q463-S465 PolarHBondContact O-N 2.93Å; Q463-S465 VanDerWaalsContact O-N 3.12Å; S465-V467 PolarHBondContact O-N 3Å | ||
| 466 | N | 24.8 | Very low | 40.6 | Very low | 167 Ų | 167 | 119 Ų | 119 | 89% | 0.893 | 64% | 0.641 | S | S | * | * | trans | -69.8 | 76.3 | -180 | -148.6 | 8 | 0 | 0 | 0 | 109.3 | Q464 G468 | Q464-N466 PolarHBondContact O-N 2.84Å; N466-G468 PolarHBondContact O-N 3.47Å | ||
| 467 | V | 26.4 | Very low | 42.8 | Very low | 117 Ų | 117 | 116.2 Ų | 116.2 | 71% | 0.709 | 62% | 0.622 | S | S | * | * | trans | -70.1 | 100.2 | 168.1 | 179.7 | 0 | 0 | 0 | 0 | 105.7 | S465 T469 | S465-V467 PolarHBondContact O-N 3Å; V467-T469 PolarHBondContact O-N 3.16Å | ||
| 468 | G | 27.2 | Very low | 46.2 | Very low | 63 Ų | 63 | 112.6 Ų | 112.6 | 65% | 0.649 | 60% | 0.601 | S | S | * | * | trans | -56.1 | 94.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N466 I470 | N466-G468 PolarHBondContact O-N 3.47Å; G468-I470 PolarHBondContact O-N 3.32Å | ||
| 469 | T | 31.5 | Very low | 49.7 | Very low | 131 Ų | 131 | 108.9 Ų | 108.9 | 80% | 0.804 | 59% | 0.585 | S | S | * | * | trans | -67.7 | 102 | 168.4 | 9.8 | 0 | 0 | 0 | 0 | 107.4 | V467 R471 | V467-T469 PolarHBondContact O-N 3.16Å; T469-R471 PolarHBondContact O-N 2.87Å | ||
| 470 | I | 39.2 | Very low | 52.8 | Low | 121 Ų | 121 | 101.2 Ų | 101.2 | 62% | 0.621 | 54% | 0.544 | S | S | * | . | trans | -56.6 | 105 | 168 | -60.3 | 170.1 | 0 | 0 | 0 | 106.3 | G468 | G468-I470 PolarHBondContact O-N 3.32Š| ||
| 471 | R | 34.7 | Very low | 55.8 | Low | 226 Ų | 226 | 96.9 Ų | 96.9 | 85% | 0.853 | 53% | 0.526 | S | S | * | . | trans | -56.9 | 139.3 | 175 | -77.7 | -169.7 | -179.4 | -155.8 | 1.6 | 108.9 | T469 R473 | T469-R471 PolarHBondContact O-N 2.87Å; R471-R473 PolarHBondContact O-N 3.14Å | ||
| 472 | P | 53.9 | Low | 58.8 | Low | 63 Ų | 63 | 92.5 Ų | 92.5 | 41% | 0.409 | 50% | 0.502 | S | S | . | . | trans | -43 | 129.4 | 168.5 | -34 | 38.8 | 0 | 0 | 0 | 113.6 | L474 | P472-L474 VanDerWaalsContact C-N 3.33Å; P472-L474 WeakPolarHBondContact CB-O 3.5Å | ||
| 473 | R | 77.8 | Confident | 62 | Low | 52 Ų | 52 | 90 Ų | 90 | 20% | 0.196 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -66.5 | -40.9 | 168.2 | 167.9 | -177.4 | -177.9 | -161.7 | -3.4 | 109.3 | V170 H172 T175 V177 N178 D207 F210 R471 | V170-R473 PolarHBondContact O-NH1 3.34Å; V170-R473 PolarHBondContact O-NH2 3.3Å; H172-R473 PolarHBondContact O-NH2 3.29Å; T175-R473 PolarHBondContact O-NH2 2.96Å; V177-R473 HydrophobicContact CG2-CG 4.28Å; N178-R473 PolarHBondContact ND2-O 3.26Å; D207-R473 VanDerWaalsContact OD1-CB 3.25Å; D207-R473 WeakPolarHBondContact OD1-CB 3.38Å; F210-R473 VanDerWaalsContact CE2-NH1 3.32Å; R471-R473 PolarHBondContact O-N 3.14Å |
| 474 | L | 89.4 | Confident | 65.5 | Low | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.005 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -78.9 | 118.4 | 168.3 | -179.3 | 68.3 | 0 | 0 | 0 | 111.4 | V177 L188 L203 I204 D207 P472 I476 | V177-L474 HydrophobicContact CG1-CB 4.35Å; V177-L474 HydrophobicContact CG1-CD1 3.62Å; L188-L474 HydrophobicContact CB-CD1 4.28Å; L188-L474 HydrophobicContact CD1-CD1 4.42Å; L188-L474 HydrophobicContact CD1-CD2 4.11Å; L188-L474 HydrophobicContact CD2-CD1 4.26Å; L188-L474 HydrophobicContact CD2-CD2 4.31Å; L188-L474 HydrophobicContact CD2-CG 4.34Å; L203-L474 HydrophobicContact CB-CD2 4.47Å; I204-L474 HydrophobicContact CG1-CD2 4.06Å; D207-L474 HydrophobicContact CB-CB 3.88Å; D207-L474 HydrophobicContact CB-CD2 4.39Å; D207-L474 VanDerWaalsContact CG-CB 3.48Å; D207-L474 PolarHBondContact OD1-N 2.86Å; P472-L474 VanDerWaalsContact C-N 3.33Å; P472-L474 WeakPolarHBondContact CB-O 3.5Å; L474-I476 HydrophobicContact CD2-CG1 4.12Å; L474-I476 HydrophobicContact CG-CG1 4.09Å; L474-I476 PolarHBondContact O-N 3.35Å |
| 475 | D | 91.3 | Very high | 68.9 | Low | 57 Ų | 57 | 72.5 Ų | 72.5 | 31% | 0.305 | 39% | 0.394 | S | S | . | . | trans | -83.3 | 93.8 | 173.8 | -173.8 | -0.8 | 0 | 0 | 0 | 109.7 | N178 D477 R478 | N178-D475 PolarHBondContact ND2-N 3.42Å; N178-D475 PolarHBondContact OD1-N 2.64Å; D475-D477 VanDerWaalsContact C-N 3.26Å; D475-D477 PolarHBondContact O-N 2.87Å; D475-D477 PolarHBondContact OD1-N 3.46Å; D475-R478 HydrophobicContact CB-CB 4.22Å; D475-R478 PolarHBondContact OD1-N 3.05Å; D475-R478 WeakPolarHBondContact OD2-CB 3.27Å; D475-R478 IonicContact OD2-NH1 3.07Å | ||
| 476 | I | 92 | Very high | 72.3 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -21.3 | -173.7 | -54.4 | 158.7 | 0 | 0 | 0 | 111.5 | L188 L474 P486 L504 A507 S509 | L188-I476 HydrophobicContact CD2-CB 4.33Å; L188-I476 HydrophobicContact CD2-CG2 4.15Å; L474-I476 HydrophobicContact CD2-CG1 4.12Å; L474-I476 HydrophobicContact CG-CG1 4.09Å; L474-I476 PolarHBondContact O-N 3.35Å; I476-P486 VanDerWaalsContact O-CD 3.28Å; I476-P486 WeakPolarHBondContact O-CD 3.39Å; I476-P486 VanDerWaalsContact O-CG 3.23Å; I476-P486 WeakPolarHBondContact O-CG 3.35Å; I476-L504 HydrophobicContact CG2-CD2 3.44Å; I476-L504 VanDerWaalsContact CG2-CD2 3.44Å; I476-A507 HydrophobicContact CD1-CB 3.56Å; I476-A507 WeakPolarHBondContact CD1-O 3.34Å; I476-S509 WeakPolarHBondContact CG2-OG 3.16Å |
| 477 | D | 93.1 | Very high | 75.7 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 19% | 0.193 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 4 | -173.8 | -74 | -27.6 | 0 | 0 | 0 | 113 | D475 P479 T485 S509 N510 L513 | D475-D477 VanDerWaalsContact C-N 3.26Å; D475-D477 PolarHBondContact O-N 2.87Å; D475-D477 PolarHBondContact OD1-N 3.46Å; D477-P479 WeakPolarHBondContact O-CD 3.28Å; D477-T485 WeakPolarHBondContact O-CG2 3.23Å; D477-S509 WeakPolarHBondContact OD1-CA 3.43Å; D477-N510 PolarHBondContact OD1-N 2.85Å; D477-N510 VanDerWaalsContact OD1-N 3.12Å; D477-N510 WeakPolarHBondContact OD2-CB 3.48Å; D477-N510 PolarHBondContact OD2-N 3.13Å; D477-N510 VanDerWaalsContact OD2-N 3.08Å; D477-L513 HydrophobicContact CB-CD1 3.54Å |
| 478 | R | 93.6 | Very high | 79 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 34% | 0.343 | 29% | 0.285 | S | S | . | . | trans | -59.9 | 119.6 | -179.9 | -162.6 | 160.6 | 177.6 | 90.6 | -3.1 | 111 | T186 L189 D475 P486 | T186-R478 HydrophobicContact CG2-CB 4.36Å; T186-R478 HydrophobicContact CG2-CG 4.24Å; L189-R478 WeakPolarHBondContact CD1-O 3.39Å; D475-R478 HydrophobicContact CB-CB 4.22Å; D475-R478 PolarHBondContact OD1-N 3.05Å; D475-R478 WeakPolarHBondContact OD2-CB 3.27Å; D475-R478 IonicContact OD2-NH1 3.07Å; R478-P486 WeakPolarHBondContact O-CD 3.29Å | ||
| 479 | P | 94.5 | Very high | 82.3 | Confident | 66 Ų | 66 | 52.1 Ų | 52.1 | 43% | 0.429 | 26% | 0.258 | S | S | . | . | trans | -80.6 | 156 | -176.8 | 31.8 | -34.9 | 0 | 0 | 0 | 112.1 | D477 M484 | D477-P479 WeakPolarHBondContact O-CD 3.28Å; P479-M484 WeakPolarHBondContact CA-O 3.39Å | ||
| 480 | D | 92.1 | Very high | 85.4 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | trans | -78.1 | -176.2 | 170.9 | 83.6 | -12.2 | 0 | 0 | 0 | 112.9 | L189 K193 I482 G483 M484 | L189-D480 HydrophobicContact CD1-CB 4.06Å; L189-D480 HydrophobicContact CD2-CB 4.2Å; K193-D480 VanDerWaalsContact CE-OD2 3.29Å; K193-D480 WeakPolarHBondContact CE-OD2 3.11Å; K193-D480 IonicContact NZ-OD2 2.75Å; K193-D480 PolarHBondContact NZ-OD2 2.75Å; D480-I482 PolarHBondContact O-N 3.45Å; D480-I482 VanDerWaalsContact O-N 3.12Å; D480-I482 WeakPolarHBondContact OD1-CA 3.42Å; D480-I482 WeakPolarHBondContact OD1-CB 3.42Å; D480-I482 PolarHBondContact OD1-N 3.34Å; D480-G483 WeakPolarHBondContact O-CA 3.36Å; D480-G483 PolarHBondContact O-N 3.44Å; D480-G483 PolarHBondContact OD1-N 3.28Å; D480-M484 PolarHBondContact N-O 3.28Å; D480-M484 PolarHBondContact OD1-N 3.15Å | ||
| 481 | K | 89.6 | Confident | 88.1 | Confident | 103 Ų | 103 | 40.1 Ų | 40.1 | 45% | 0.448 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -27.2 | 176.2 | -76.3 | 176.8 | 167.3 | 178.3 | 0 | 114.6 | D183 M184 G483 K516 | D183-K481 VanDerWaalsContact CA-CE 3.49Å; D183-K481 WeakPolarHBondContact O-CD 3.23Å; D183-K481 WeakPolarHBondContact O-CE 3.29Å; D183-K481 VanDerWaalsContact O-CG 3.27Å; D183-K481 WeakPolarHBondContact O-CG 3.45Å; D183-K481 IonicContact OD1-NZ 3.58Å; D183-K481 PolarHBondContact OD1-NZ 2.81Å; M184-K481 HydrophobicContact CB-CG 4.12Å; K481-G483 VanDerWaalsContact C-N 3.33Å; K481-K516 WeakPolarHBondContact O-CE 3.15Å; K481-K516 PolarHBondContact O-NZ 3.1Å |
| 482 | I | 86.3 | Confident | 91 | Very high | 80 Ų | 80 | 33.3 Ų | 33.3 | 41% | 0.41 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -8.4 | 179.8 | -56 | 169.8 | 0 | 0 | 0 | 110.3 | D480 M484 K516 | D480-I482 PolarHBondContact O-N 3.45Å; D480-I482 VanDerWaalsContact O-N 3.12Å; D480-I482 WeakPolarHBondContact OD1-CA 3.42Å; D480-I482 WeakPolarHBondContact OD1-CB 3.42Å; D480-I482 PolarHBondContact OD1-N 3.34Å; I482-M484 HydrophobicContact CD1-CE 4.43Å; I482-M484 HydrophobicContact CG2-CG 4.42Å; I482-K516 WeakPolarHBondContact O-CB 3.09Å; I482-K516 VanDerWaalsContact O-CD 3.24Å; I482-K516 WeakPolarHBondContact O-CD 3.21Å; I482-K516 WeakPolarHBondContact O-CG 3.27Å |
| 483 | G | 91.6 | Very high | 92.9 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 91.8 | 5.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | D480 K481 D515 | D480-G483 WeakPolarHBondContact O-CA 3.36Å; D480-G483 PolarHBondContact O-N 3.44Å; D480-G483 PolarHBondContact OD1-N 3.28Å; K481-G483 VanDerWaalsContact C-N 3.33Å; G483-D515 WeakPolarHBondContact O-CA 3.48Å |
| 484 | M | 95.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | trans | -82.2 | 124.6 | -178.1 | -65.6 | -161.7 | -70.3 | 0 | 0 | 110.5 | P479 D480 I482 M488 I489 D515 | P479-M484 WeakPolarHBondContact CA-O 3.39Å; D480-M484 PolarHBondContact N-O 3.28Å; D480-M484 PolarHBondContact OD1-N 3.15Å; I482-M484 HydrophobicContact CD1-CE 4.43Å; I482-M484 HydrophobicContact CG2-CG 4.42Å; M484-M488 HydrophobicContact CB-CB 4.26Å; M484-M488 HydrophobicContact CB-SD 4.47Å; M484-I489 HydrophobicContact CB-CD1 4.27Å; M484-I489 HydrophobicContact CB-CG1 3.78Å; M484-I489 HydrophobicContact CE-CG1 4.25Å; M484-D515 HydrophobicContact CG-CB 4.11Å | ||
| 485 | T | 96.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | trans | -73.7 | 161.1 | 171.6 | 70 | 0 | 0 | 0 | 0 | 110.4 | D477 L487 M488 I489 L513 | D477-T485 WeakPolarHBondContact O-CG2 3.23Å; T485-L487 PolarHBondContact O-N 3.23Å; T485-L487 VanDerWaalsContact O-N 3.16Å; T485-M488 HydrophobicContact CG2-CE 3.92Å; T485-M488 HydrophobicContact CG2-SD 4.1Å; T485-M488 PolarHBondContact N-SD 3.3Å; T485-M488 VanDerWaalsContact N-SD 3.39Å; T485-M488 WeakPolarHBondContact O-CB 3.04Å; T485-M488 PolarHBondContact O-N 2.78Å; T485-M488 WeakPolarHBondContact OG1-CG 3.07Å; T485-M488 PolarHBondContact OG1-N 3.36Å; T485-I489 WeakPolarHBondContact O-CG1 3.31Å; T485-I489 PolarHBondContact O-N 2.85Å; T485-I489 VanDerWaalsContact O-N 3.09Å; T485-L513 HydrophobicContact CG2-CB 4.22Å; T485-L513 HydrophobicContact CG2-CD1 3.98Å | ||
| 486 | P | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -50.7 | -38.8 | 173.4 | -30.1 | 37.6 | 0 | 0 | 0 | 112.9 | L188 L189 V192 I476 R478 I489 A490 L504 | L188-P486 HydrophobicContact CD2-CB 4.45Å; L188-P486 HydrophobicContact CD2-CG 4.08Å; L188-P486 HydrophobicContact CG-CG 4.49Å; L189-P486 HydrophobicContact CD2-CG 3.74Å; L189-P486 HydrophobicContact CG-CG 4.07Å; V192-P486 HydrophobicContact CG2-CB 4.09Å; I476-P486 VanDerWaalsContact O-CD 3.28Å; I476-P486 WeakPolarHBondContact O-CD 3.39Å; I476-P486 VanDerWaalsContact O-CG 3.23Å; I476-P486 WeakPolarHBondContact O-CG 3.35Å; R478-P486 WeakPolarHBondContact O-CD 3.29Å; P486-I489 PolarHBondContact O-N 3.41Å; P486-A490 WeakPolarHBondContact O-CB 3.29Å; P486-A490 PolarHBondContact O-N 3.3Å; P486-L504 HydrophobicContact CB-CD1 3.92Å; P486-L504 HydrophobicContact CB-CD2 3.95Å |
| 487 | L | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.8 | -37.9 | 178.7 | -176.1 | 61.3 | 0 | 0 | 0 | 112.5 | T485 A490 A491 A501 L504 V505 L511 A521 L537 | T485-L487 PolarHBondContact O-N 3.23Å; T485-L487 VanDerWaalsContact O-N 3.16Å; L487-A490 PolarHBondContact O-N 3.06Å; L487-A491 WeakPolarHBondContact O-CB 3.49Å; L487-A491 PolarHBondContact O-N 3.07Å; L487-A501 HydrophobicContact CD1-CB 3.81Å; L487-L504 HydrophobicContact CB-CD1 4.38Å; L487-L504 HydrophobicContact CD1-CB 4.19Å; L487-L504 HydrophobicContact CD1-CD1 4.48Å; L487-V505 HydrophobicContact CD1-CG2 3.85Å; L487-V505 HydrophobicContact CD2-CG2 4.06Å; L487-L511 HydrophobicContact CD2-CD1 4.04Å; L487-L511 HydrophobicContact CD2-CG 4.02Å; L487-A521 HydrophobicContact CD2-CB 4.08Å; L487-A521 HydrophobicContact CG-CB 3.77Å; L487-L537 HydrophobicContact CD1-CD2 4.26Å |
| 488 | M | 96.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 175.4 | -67.1 | 165 | -171.8 | 0 | 0 | 111.6 | M484 T485 A490 A491 E492 L513 D515 A521 | M484-M488 HydrophobicContact CB-CB 4.26Å; M484-M488 HydrophobicContact CB-SD 4.47Å; T485-M488 HydrophobicContact CG2-CE 3.92Å; T485-M488 HydrophobicContact CG2-SD 4.1Å; T485-M488 PolarHBondContact N-SD 3.3Å; T485-M488 VanDerWaalsContact N-SD 3.39Å; T485-M488 WeakPolarHBondContact O-CB 3.04Å; T485-M488 PolarHBondContact O-N 2.78Å; T485-M488 WeakPolarHBondContact OG1-CG 3.07Å; T485-M488 PolarHBondContact OG1-N 3.36Å; M488-A490 VanDerWaalsContact C-N 3.32Å; M488-A490 PolarHBondContact O-N 3.23Å; M488-A491 PolarHBondContact O-N 2.95Å; M488-E492 WeakPolarHBondContact O-CB 3.19Å; M488-E492 PolarHBondContact O-N 3.15Å; M488-L513 HydrophobicContact CE-CB 3.99Å; M488-L513 WeakPolarHBondContact CE-O 3.46Å; M488-D515 HydrophobicContact SD-CB 3.92Å; M488-A521 HydrophobicContact CG-CB 4.23Å |
| 489 | I | 96.4 | Very high | 93.5 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 8% | 0.077 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 178 | -58.1 | 172.3 | 0 | 0 | 0 | 110.1 | L189 V192 K193 M484 T485 P486 A491 E492 A493 | L189-I489 HydrophobicContact CD2-CD1 3.66Å; V192-I489 HydrophobicContact CG1-CB 3.83Å; V192-I489 HydrophobicContact CG1-CG2 3.73Å; K193-I489 HydrophobicContact CD-CD1 4.45Å; K193-I489 HydrophobicContact CG-CD1 3.94Å; K193-I489 HydrophobicContact CG-CG2 4.3Å; M484-I489 HydrophobicContact CB-CD1 4.27Å; M484-I489 HydrophobicContact CB-CG1 3.78Å; M484-I489 HydrophobicContact CE-CG1 4.25Å; T485-I489 WeakPolarHBondContact O-CG1 3.31Å; T485-I489 PolarHBondContact O-N 2.85Å; T485-I489 VanDerWaalsContact O-N 3.09Å; P486-I489 PolarHBondContact O-N 3.41Å; I489-A491 VanDerWaalsContact C-N 3.34Å; I489-E492 PolarHBondContact O-N 3.48Å; I489-A493 PolarHBondContact O-N 3.2Å |
| 490 | A | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V192 P486 L487 M488 A493 G497 M500 A501 L504 M533 | V192-A490 HydrophobicContact CG1-CB 4.25Å; P486-A490 WeakPolarHBondContact O-CB 3.29Å; P486-A490 PolarHBondContact O-N 3.3Å; L487-A490 PolarHBondContact O-N 3.06Å; M488-A490 VanDerWaalsContact C-N 3.32Å; M488-A490 PolarHBondContact O-N 3.23Å; A490-A493 PolarHBondContact O-N 3.4Å; A490-G497 WeakPolarHBondContact O-CA 3.49Å; A490-M500 HydrophobicContact CB-CB 4.08Å; A490-A501 HydrophobicContact CB-CB 4.07Å; A490-L504 HydrophobicContact CB-CD1 4.12Å; A490-M533 WeakPolarHBondContact O-CE 3.49Å |
| 491 | A | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.7 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L487 M488 I489 A493 G494 A521 H524 A525 M533 L537 | L487-A491 WeakPolarHBondContact O-CB 3.49Å; L487-A491 PolarHBondContact O-N 3.07Å; M488-A491 PolarHBondContact O-N 2.95Å; I489-A491 VanDerWaalsContact C-N 3.34Å; A491-A493 VanDerWaalsContact C-N 3.26Å; A491-A493 PolarHBondContact O-N 3.04Å; A491-G494 PolarHBondContact O-N 3.34Å; A491-A521 HydrophobicContact CB-CB 4.04Å; A491-A521 WeakPolarHBondContact CB-O 3.39Å; A491-H524 HydrophobicContact CB-CB 4.11Å; A491-A525 HydrophobicContact CB-CB 4.35Å; A491-M533 HydrophobicContact CB-CG 4.41Å; A491-L537 HydrophobicContact CB-CD1 4.49Å |
| 492 | E | 95.7 | Very high | 93.8 | Very high | 83 Ų | 83 | 24 Ų | 24 | 39% | 0.388 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.2 | -32 | 174.7 | -169.6 | -171.7 | -176 | 0 | 0 | 111.8 | M488 I489 G494 H524 V528 | M488-E492 WeakPolarHBondContact O-CB 3.19Å; M488-E492 PolarHBondContact O-N 3.15Å; I489-E492 PolarHBondContact O-N 3.48Å; E492-G494 PolarHBondContact O-N 3.03Å; E492-H524 HydrophobicContact CB-CB 4.48Å; E492-V528 HydrophobicContact CG-CG2 4.45Å; E492-V528 WeakPolarHBondContact O-CG2 3.42Å |
| 493 | A | 92.5 | Very high | 94.2 | Very high | 18 Ų | 18 | 21.1 Ų | 21.1 | 15% | 0.149 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -6.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I489 A490 A491 S495 S496 | I489-A493 PolarHBondContact O-N 3.2Å; A490-A493 PolarHBondContact O-N 3.4Å; A491-A493 VanDerWaalsContact C-N 3.26Å; A491-A493 PolarHBondContact O-N 3.04Å; A493-S495 PolarHBondContact O-N 3.39Å; A493-S496 PolarHBondContact O-N 2.97Å; A493-S496 PolarHBondContact O-OG 2.9Å |
| 494 | G | 91.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | 62.8 | -130.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | A491 E492 S496 G497 L498 M533 | A491-G494 PolarHBondContact O-N 3.34Å; E492-G494 PolarHBondContact O-N 3.03Å; G494-S496 VanDerWaalsContact C-N 3.3Å; G494-S496 PolarHBondContact O-N 3.4Å; G494-G497 PolarHBondContact O-N 3.18Å; G494-G497 VanDerWaalsContact O-N 3.15Å; G494-L498 PolarHBondContact O-N 3.48Å; G494-M533 VanDerWaalsContact O-CE 3.22Å; G494-M533 WeakPolarHBondContact O-CE 3.43Å |
| 495 | S | 90.3 | Very high | 94.1 | Very high | 99 Ų | 99 | 20.8 Ų | 20.8 | 69% | 0.692 | 13% | 0.126 | S | C | * | . | G | 310 helix | trans | -60 | -38.1 | -179.3 | 54.2 | 0 | 0 | 0 | 0 | 113 | A493 G497 L498 | A493-S495 PolarHBondContact O-N 3.39Å; S495-G497 PolarHBondContact O-N 3.29Å; S495-L498 WeakPolarHBondContact O-CB 3.41Å; S495-L498 PolarHBondContact O-N 3.2Å |
| 496 | S | 88.7 | Confident | 93.8 | Very high | 53 Ų | 53 | 25.3 Ų | 25.3 | 37% | 0.371 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -69.2 | -18.5 | 178.7 | 68.1 | 0 | 0 | 0 | 0 | 114 | R195 A493 G494 | R195-S496 PolarHBondContact NH1-OG 2.84Å; A493-S496 PolarHBondContact O-N 2.97Å; A493-S496 PolarHBondContact O-OG 2.9Å; G494-S496 VanDerWaalsContact C-N 3.3Å; G494-S496 PolarHBondContact O-N 3.4Å |
| 497 | G | 92.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -98.4 | 0.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A490 G494 S495 N499 M500 A501 | A490-G497 WeakPolarHBondContact O-CA 3.49Å; G494-G497 PolarHBondContact O-N 3.18Å; G494-G497 VanDerWaalsContact O-N 3.15Å; S495-G497 PolarHBondContact O-N 3.29Å; G497-N499 PolarHBondContact O-N 2.68Å; G497-M500 WeakPolarHBondContact O-CB 3.47Å; G497-M500 PolarHBondContact O-N 3.19Å; G497-A501 PolarHBondContact O-N 3.42Å |
| 498 | L | 93.5 | Very high | 93.2 | Very high | 17 Ų | 17 | 29 Ų | 29 | 9% | 0.089 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | -171.8 | -175.6 | 57.6 | 0 | 0 | 0 | 113 | G494 S495 M500 A501 I502 N532 M533 P543 | G494-L498 PolarHBondContact O-N 3.48Å; S495-L498 WeakPolarHBondContact O-CB 3.41Å; S495-L498 PolarHBondContact O-N 3.2Å; L498-M500 VanDerWaalsContact C-N 3.27Å; L498-M500 PolarHBondContact O-N 3.37Å; L498-A501 PolarHBondContact O-N 3.09Å; L498-I502 HydrophobicContact CD1-CD1 4.38Å; L498-I502 HydrophobicContact CD1-CG1 4.49Å; L498-I502 HydrophobicContact CG-CD1 4.08Å; L498-I502 VanDerWaalsContact O-CG1 3.26Å; L498-I502 WeakPolarHBondContact O-CG1 3.43Å; L498-I502 PolarHBondContact O-N 2.83Å; L498-N532 HydrophobicContact CD2-CB 3.9Å; L498-M533 VanDerWaalsContact CA-CE 3.42Å; L498-M533 HydrophobicContact CB-CE 4.1Å; L498-M533 HydrophobicContact CD1-CB 4.33Å; L498-M533 HydrophobicContact CD1-CE 4.04Å; L498-M533 HydrophobicContact CD1-SD 3.88Å; L498-P543 HydrophobicContact CD1-CG 4.46Å; L498-P543 HydrophobicContact CD2-CG 3.75Å; L498-P543 HydrophobicContact CG-CG 4.33Å |
| 499 | N | 93.3 | Very high | 92.9 | Very high | 82 Ų | 82 | 29.1 Ų | 29.1 | 44% | 0.439 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.7 | -37 | 177.4 | -66.5 | -16.1 | 0 | 0 | 0 | 112.1 | E197 G497 I502 A503 | E197-N499 HydrophobicContact CG-CB 4.14Å; E197-N499 WeakPolarHBondContact OE1-CB 3.37Å; E197-N499 PolarHBondContact OE1-ND2 2.81Å; E197-N499 WeakPolarHBondContact OE2-CB 3.35Å; E197-N499 PolarHBondContact OE2-ND2 3.34Å; G497-N499 PolarHBondContact O-N 2.68Å; N499-I502 PolarHBondContact O-N 2.92Å; N499-A503 PolarHBondContact O-N 3.47Å |
| 500 | M | 94.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 175 | -65.8 | -167.3 | -70.2 | 0 | 0 | 111.3 | V192 R195 E197 L200 A490 G497 L498 I502 A503 L504 | V192-M500 HydrophobicContact CB-SD 4.5Å; V192-M500 HydrophobicContact CG1-CE 4.33Å; V192-M500 HydrophobicContact CG1-SD 4.33Å; V192-M500 HydrophobicContact CG2-SD 4.41Å; R195-M500 HydrophobicContact CB-CE 4.32Å; R195-M500 HydrophobicContact CG-CE 4.35Å; E197-M500 HydrophobicContact CB-CG 4.18Å; E197-M500 HydrophobicContact CG-CG 4.21Å; L200-M500 VanDerWaalsContact CD2-CA 3.48Å; L200-M500 HydrophobicContact CD2-CB 3.47Å; L200-M500 VanDerWaalsContact CD2-CB 3.47Å; L200-M500 HydrophobicContact CD2-CG 3.58Å; L200-M500 HydrophobicContact CD2-SD 4.3Å; A490-M500 HydrophobicContact CB-CB 4.08Å; G497-M500 WeakPolarHBondContact O-CB 3.47Å; G497-M500 PolarHBondContact O-N 3.19Å; L498-M500 VanDerWaalsContact C-N 3.27Å; L498-M500 PolarHBondContact O-N 3.37Å; M500-I502 VanDerWaalsContact C-N 3.32Å; M500-I502 PolarHBondContact O-N 3.39Å; M500-A503 PolarHBondContact O-N 3.02Å; M500-L504 WeakPolarHBondContact O-CB 3.35Å; M500-L504 WeakPolarHBondContact O-CD1 3.36Å; M500-L504 WeakPolarHBondContact O-CG 3.43Å; M500-L504 PolarHBondContact O-N 2.89Å |
| 501 | A | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L487 A490 G497 L498 L504 V505 M533 | L487-A501 HydrophobicContact CD1-CB 3.81Å; A490-A501 HydrophobicContact CB-CB 4.07Å; G497-A501 PolarHBondContact O-N 3.42Å; L498-A501 PolarHBondContact O-N 3.09Å; A501-L504 PolarHBondContact O-N 3.05Å; A501-V505 WeakPolarHBondContact O-CB 3.32Å; A501-V505 VanDerWaalsContact O-CG2 3.25Å; A501-V505 WeakPolarHBondContact O-CG2 3.4Å; A501-V505 PolarHBondContact O-N 2.67Å; A501-M533 HydrophobicContact CB-CE 3.72Å; A501-M533 HydrophobicContact CB-SD 3.42Å; A501-M533 WeakPolarHBondContact CB-SD 3.47Å |
| 502 | I | 93.7 | Very high | 92 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.7 | -51.1 | 174 | -69 | 164.8 | 0 | 0 | 0 | 110.6 | L498 N499 M500 L504 V505 N506 Y536 P543 | L498-I502 HydrophobicContact CD1-CD1 4.38Å; L498-I502 HydrophobicContact CD1-CG1 4.49Å; L498-I502 HydrophobicContact CG-CD1 4.08Å; L498-I502 VanDerWaalsContact O-CG1 3.26Å; L498-I502 WeakPolarHBondContact O-CG1 3.43Å; L498-I502 PolarHBondContact O-N 2.83Å; N499-I502 PolarHBondContact O-N 2.92Å; M500-I502 VanDerWaalsContact C-N 3.32Å; M500-I502 PolarHBondContact O-N 3.39Å; I502-L504 VanDerWaalsContact C-N 3.34Å; I502-L504 PolarHBondContact O-N 2.83Å; I502-V505 PolarHBondContact O-N 3.02Å; I502-N506 WeakPolarHBondContact O-CB 3.45Å; I502-N506 VanDerWaalsContact O-CG 3.24Å; I502-N506 PolarHBondContact O-N 3.5Å; I502-Y536 WeakPolarHBondContact CA-OH 3.24Å; I502-Y536 HydrophobicContact CB-CE1 4.15Å; I502-Y536 HydrophobicContact CB-CE2 4.48Å; I502-Y536 HydrophobicContact CG1-CD1 3.95Å; I502-Y536 HydrophobicContact CG1-CD2 3.99Å; I502-Y536 HydrophobicContact CG1-CE1 3.65Å; I502-Y536 HydrophobicContact CG1-CE2 3.72Å; I502-Y536 HydrophobicContact CG1-CG 4.11Å; I502-Y536 HydrophobicContact CG2-CE2 4.42Å; I502-Y536 PolarHBondContact O-OH 3.24Å; I502-P543 HydrophobicContact CD1-CG 4.35Å |
| 503 | A | 93.6 | Very high | 91.8 | Very high | 18 Ų | 18 | 34.2 Ų | 34.2 | 15% | 0.149 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L200 I201 I204 N499 M500 N506 A507 | L200-A503 HydrophobicContact CD2-CB 4.24Å; I201-A503 HydrophobicContact CG1-CB 4.15Å; I204-A503 HydrophobicContact CD1-CB 4.11Å; N499-A503 PolarHBondContact O-N 3.47Å; M500-A503 PolarHBondContact O-N 3.02Å; A503-N506 PolarHBondContact O-N 3.17Å; A503-A507 VanDerWaalsContact O-CB 3.31Å; A503-A507 WeakPolarHBondContact O-CB 3.22Å; A503-A507 PolarHBondContact O-N 2.89Å |
| 504 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -46.4 | 179 | -73.2 | 167.9 | 0 | 0 | 0 | 112.5 | L188 V192 L200 I204 I476 P486 L487 A490 M500 A501 I502 N506 A507 G508 S509 | L188-L504 HydrophobicContact CD2-CD2 4.28Å; V192-L504 HydrophobicContact CG2-CD1 4.39Å; L200-L504 HydrophobicContact CD1-CD2 3.79Å; L200-L504 HydrophobicContact CD1-CG 4.16Å; L200-L504 HydrophobicContact CD2-CG 4.31Å; I204-L504 HydrophobicContact CD1-CD2 4.38Å; I476-L504 HydrophobicContact CG2-CD2 3.44Å; I476-L504 VanDerWaalsContact CG2-CD2 3.44Å; P486-L504 HydrophobicContact CB-CD1 3.92Å; P486-L504 HydrophobicContact CB-CD2 3.95Å; L487-L504 HydrophobicContact CB-CD1 4.38Å; L487-L504 HydrophobicContact CD1-CB 4.19Å; L487-L504 HydrophobicContact CD1-CD1 4.48Å; A490-L504 HydrophobicContact CB-CD1 4.12Å; M500-L504 WeakPolarHBondContact O-CB 3.35Å; M500-L504 WeakPolarHBondContact O-CD1 3.36Å; M500-L504 WeakPolarHBondContact O-CG 3.43Å; M500-L504 PolarHBondContact O-N 2.89Å; A501-L504 PolarHBondContact O-N 3.05Å; I502-L504 VanDerWaalsContact C-N 3.34Å; I502-L504 PolarHBondContact O-N 2.83Å; L504-N506 VanDerWaalsContact C-N 3.33Å; L504-N506 PolarHBondContact O-N 3.22Å; L504-A507 CarbonylContact O-C 3.54Å; L504-A507 WeakPolarHBondContact O-CA 3.33Å; L504-A507 WeakPolarHBondContact O-CB 3.36Å; L504-A507 PolarHBondContact O-N 3.24Å; L504-A507 VanDerWaalsContact O-N 3.1Å; L504-G508 PolarHBondContact O-N 2.7Å; L504-G508 VanDerWaalsContact O-N 3.15Å; L504-S509 WeakPolarHBondContact O-CB 3.4Å; L504-S509 PolarHBondContact O-N 2.89Å; L504-S509 PolarHBondContact O-OG 3.46Å |
| 505 | V | 92.2 | Very high | 91.9 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.3 | 172 | 0 | 0 | 0 | 0 | 110.8 | L487 A501 I502 A507 G508 L511 Y536 L537 | L487-V505 HydrophobicContact CD1-CG2 3.85Å; L487-V505 HydrophobicContact CD2-CG2 4.06Å; A501-V505 WeakPolarHBondContact O-CB 3.32Å; A501-V505 VanDerWaalsContact O-CG2 3.25Å; A501-V505 WeakPolarHBondContact O-CG2 3.4Å; A501-V505 PolarHBondContact O-N 2.67Å; I502-V505 PolarHBondContact O-N 3.02Å; V505-A507 PolarHBondContact O-N 3.21Å; V505-G508 PolarHBondContact O-N 2.84Å; V505-L511 HydrophobicContact CG1-CD1 4.48Å; V505-L511 HydrophobicContact CG2-CD1 4.07Å; V505-Y536 HydrophobicContact CB-CE1 3.94Å; V505-Y536 HydrophobicContact CG1-CE1 4.23Å; V505-Y536 HydrophobicContact CG2-CE1 3.98Å; V505-L537 HydrophobicContact CG2-CD2 4.02Å |
| 506 | N | 90.2 | Very high | 92 | Very high | 101 Ų | 101 | 39.5 Ų | 39.5 | 54% | 0.54 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.1 | -27.5 | 175.2 | -73.2 | -9.9 | 0 | 0 | 0 | 112.8 | I502 A503 L504 Y536 | I502-N506 WeakPolarHBondContact O-CB 3.45Å; I502-N506 VanDerWaalsContact O-CG 3.24Å; I502-N506 PolarHBondContact O-N 3.5Å; A503-N506 PolarHBondContact O-N 3.17Å; L504-N506 VanDerWaalsContact C-N 3.33Å; L504-N506 PolarHBondContact O-N 3.22Å; N506-Y536 PolarHBondContact OD1-OH 3.38Å |
| 507 | A | 90 | Very high | 92.2 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I204 I476 A503 L504 V505 | I204-A507 HydrophobicContact CD1-CB 4.05Å; I204-A507 HydrophobicContact CG1-CB 4.26Å; I204-A507 HydrophobicContact CG2-CB 3.72Å; I476-A507 HydrophobicContact CD1-CB 3.56Å; I476-A507 WeakPolarHBondContact CD1-O 3.34Å; A503-A507 VanDerWaalsContact O-CB 3.31Å; A503-A507 WeakPolarHBondContact O-CB 3.22Å; A503-A507 PolarHBondContact O-N 2.89Å; L504-A507 CarbonylContact O-C 3.54Å; L504-A507 WeakPolarHBondContact O-CA 3.33Å; L504-A507 WeakPolarHBondContact O-CB 3.36Å; L504-A507 PolarHBondContact O-N 3.24Å; L504-A507 VanDerWaalsContact O-N 3.1Å; V505-A507 PolarHBondContact O-N 3.21Å |
| 508 | G | 88.6 | Confident | 92.3 | Very high | 56 Ų | 56 | 39.8 Ų | 39.8 | 58% | 0.577 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 99.3 | 21.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L504 V505 | L504-G508 PolarHBondContact O-N 2.7Å; L504-G508 VanDerWaalsContact O-N 3.15Å; V505-G508 PolarHBondContact O-N 2.84Å |
| 509 | S | 91.5 | Very high | 92.3 | Very high | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | trans | -54.2 | 138.8 | 174.3 | -77.2 | 0 | 0 | 0 | 0 | 112.7 | I476 D477 L504 L511 | I476-S509 WeakPolarHBondContact CG2-OG 3.16Å; D477-S509 WeakPolarHBondContact OD1-CA 3.43Å; L504-S509 WeakPolarHBondContact O-CB 3.4Å; L504-S509 PolarHBondContact O-N 2.89Å; L504-S509 PolarHBondContact O-OG 3.46Å; S509-L511 WeakPolarHBondContact O-CD1 3.46Å; S509-L511 PolarHBondContact O-N 3.45Å | ||
| 510 | N | 89.6 | Confident | 92.4 | Very high | 67 Ų | 67 | 36.3 Ų | 36.3 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | trans | -83.7 | 114.1 | 178.6 | -174.5 | -0.6 | 0 | 0 | 0 | 112.1 | D477 S512 L513 | D477-N510 PolarHBondContact OD1-N 2.85Å; D477-N510 VanDerWaalsContact OD1-N 3.12Å; D477-N510 WeakPolarHBondContact OD2-CB 3.48Å; D477-N510 PolarHBondContact OD2-N 3.13Å; D477-N510 VanDerWaalsContact OD2-N 3.08Å; N510-S512 VanDerWaalsContact C-N 3.3Å; N510-S512 PolarHBondContact ND2-OG 3.09Å; N510-S512 PolarHBondContact O-N 2.91Å; N510-S512 PolarHBondContact OD1-N 3.36Å; N510-S512 PolarHBondContact OD1-OG 3Å; N510-L513 HydrophobicContact CB-CD1 3.91Å; N510-L513 HydrophobicContact CB-CG 3.89Å | ||
| 511 | L | 89.8 | Confident | 92.4 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -19.3 | 179.4 | -78.6 | 74.4 | 0 | 0 | 0 | 113.8 | L487 V505 S509 L513 L537 N635 L638 | L487-L511 HydrophobicContact CD2-CD1 4.04Å; L487-L511 HydrophobicContact CD2-CG 4.02Å; V505-L511 HydrophobicContact CG1-CD1 4.48Å; V505-L511 HydrophobicContact CG2-CD1 4.07Å; S509-L511 WeakPolarHBondContact O-CD1 3.46Å; S509-L511 PolarHBondContact O-N 3.45Å; L511-L513 VanDerWaalsContact C-N 3.35Å; L511-L537 HydrophobicContact CD2-CB 4.26Å; L511-L537 HydrophobicContact CD2-CD2 4.08Å; L511-L537 VanDerWaalsContact CD2-O 3.29Å; L511-L537 WeakPolarHBondContact CD2-O 3.24Å; L511-L537 HydrophobicContact CG-CD2 4.44Å; L511-N635 WeakPolarHBondContact CD2-ND2 3.29Å; L511-L638 HydrophobicContact CB-CD1 3.91Å |
| 512 | S | 89.6 | Confident | 92.3 | Very high | 70 Ų | 70 | 36.6 Ų | 36.6 | 49% | 0.49 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -11.1 | -178.4 | 72 | 0 | 0 | 0 | 0 | 113.7 | N510 | N510-S512 VanDerWaalsContact C-N 3.3Å; N510-S512 PolarHBondContact ND2-OG 3.09Å; N510-S512 PolarHBondContact O-N 2.91Å; N510-S512 PolarHBondContact OD1-N 3.36Å; N510-S512 PolarHBondContact OD1-OG 3Å |
| 513 | L | 91.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 35.5 Ų | 35.5 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | trans | -62.2 | 148 | 175.6 | -66.9 | 176.6 | 0 | 0 | 0 | 110.6 | D477 T485 M488 N510 L511 T520 | D477-L513 HydrophobicContact CB-CD1 3.54Å; T485-L513 HydrophobicContact CG2-CB 4.22Å; T485-L513 HydrophobicContact CG2-CD1 3.98Å; M488-L513 HydrophobicContact CE-CB 3.99Å; M488-L513 WeakPolarHBondContact CE-O 3.46Å; N510-L513 HydrophobicContact CB-CD1 3.91Å; N510-L513 HydrophobicContact CB-CG 3.89Å; L511-L513 VanDerWaalsContact C-N 3.35Å; L513-T520 WeakPolarHBondContact O-CA 3.36Å | ||
| 514 | T | 93.5 | Very high | 92.6 | Very high | 76 Ų | 76 | 35 Ų | 35 | 47% | 0.466 | 21% | 0.21 | S | C | . | . | trans | -125.2 | 147.5 | 179.8 | 60.8 | 0 | 0 | 0 | 0 | 111.4 | G518 M519 T520 | T514-G518 WeakPolarHBondContact CG2-O 3.39Å; T514-M519 WeakPolarHBondContact CA-O 3.48Å; T514-T520 HydrophobicContact CG2-CG2 3.74Å | ||
| 515 | D | 93.7 | Very high | 92.6 | Very high | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | trans | -71.4 | -175.7 | 169.3 | 67.9 | 14.2 | 0 | 0 | 0 | 112.4 | G483 M484 M488 V517 G518 M519 H524 | G483-D515 WeakPolarHBondContact O-CA 3.48Å; M484-D515 HydrophobicContact CG-CB 4.11Å; M488-D515 HydrophobicContact SD-CB 3.92Å; D515-V517 PolarHBondContact O-N 2.95Å; D515-V517 VanDerWaalsContact O-N 3.12Å; D515-V517 VanDerWaalsContact OD1-C 3.3Å; D515-V517 VanDerWaalsContact OD1-CA 3.24Å; D515-V517 WeakPolarHBondContact OD1-CA 3.41Å; D515-V517 VanDerWaalsContact OD1-CB 3.31Å; D515-V517 WeakPolarHBondContact OD1-CB 3.4Å; D515-V517 PolarHBondContact OD1-N 3.16Å; D515-G518 PolarHBondContact O-N 3.09Å; D515-G518 PolarHBondContact OD1-N 3.17Å; D515-M519 PolarHBondContact N-O 3.45Å; D515-M519 PolarHBondContact OD1-N 3.32Å; D515-M519 WeakPolarHBondContact OD2-CE 3.34Å; D515-H524 IonicContact OD2-CE1 2.83Å; D515-H524 IonicContact OD2-NE2 3.39Å; D515-H524 PolarHBondContact OD2-NE2 3.46Å | ||
| 516 | K | 92.9 | Very high | 92.8 | Very high | 144 Ų | 144 | 34.2 Ų | 34.2 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17 | 176.7 | -73.7 | 179.7 | -178 | -179.6 | 0 | 114.1 | K481 I482 | K481-K516 WeakPolarHBondContact O-CE 3.15Å; K481-K516 PolarHBondContact O-NZ 3.1Å; I482-K516 WeakPolarHBondContact O-CB 3.09Å; I482-K516 VanDerWaalsContact O-CD 3.24Å; I482-K516 WeakPolarHBondContact O-CD 3.21Å; I482-K516 WeakPolarHBondContact O-CG 3.27Å |
| 517 | V | 92.4 | Very high | 93.1 | Very high | 44 Ų | 44 | 33 Ų | 33 | 27% | 0.267 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -4.8 | 176.4 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | D515 M519 K644 Y645 | D515-V517 PolarHBondContact O-N 2.95Å; D515-V517 VanDerWaalsContact O-N 3.12Å; D515-V517 VanDerWaalsContact OD1-C 3.3Å; D515-V517 VanDerWaalsContact OD1-CA 3.24Å; D515-V517 WeakPolarHBondContact OD1-CA 3.41Å; D515-V517 VanDerWaalsContact OD1-CB 3.31Å; D515-V517 WeakPolarHBondContact OD1-CB 3.4Å; D515-V517 PolarHBondContact OD1-N 3.16Å; V517-M519 VanDerWaalsContact C-N 3.35Å; V517-M519 HydrophobicContact CB-CE 4.21Å; V517-M519 HydrophobicContact CB-CG 4.49Å; V517-M519 HydrophobicContact CG1-CE 4.21Å; V517-M519 HydrophobicContact CG1-CG 4.26Å; V517-K644 WeakPolarHBondContact O-CB 3.24Å; V517-K644 PolarHBondContact O-N 3.43Å; V517-Y645 HydrophobicContact CG1-CD2 3.93Å; V517-Y645 HydrophobicContact CG1-CE2 3.46Å; V517-Y645 VanDerWaalsContact CG1-CE2 3.46Å |
| 518 | G | 93 | Very high | 93.3 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 16% | 0.155 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 82.7 | 10.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T514 D515 D643 | T514-G518 WeakPolarHBondContact CG2-O 3.39Å; D515-G518 PolarHBondContact O-N 3.09Å; D515-G518 PolarHBondContact OD1-N 3.17Å; G518-D643 WeakPolarHBondContact O-CA 2.94Å |
| 519 | M | 95.1 | Very high | 93.6 | Very high | 22 Ų | 22 | 33 Ų | 33 | 11% | 0.108 | 19% | 0.185 | C | C | . | . | trans | -87.1 | 128.2 | 179.5 | -67.1 | -171 | -62.1 | 0 | 0 | 110.8 | T514 D515 V517 H523 D643 L652 | T514-M519 WeakPolarHBondContact CA-O 3.48Å; D515-M519 PolarHBondContact N-O 3.45Å; D515-M519 PolarHBondContact OD1-N 3.32Å; D515-M519 WeakPolarHBondContact OD2-CE 3.34Å; V517-M519 VanDerWaalsContact C-N 3.35Å; V517-M519 HydrophobicContact CB-CE 4.21Å; V517-M519 HydrophobicContact CB-CG 4.49Å; V517-M519 HydrophobicContact CG1-CE 4.21Å; V517-M519 HydrophobicContact CG1-CG 4.26Å; M519-H523 HydrophobicContact CB-CB 3.78Å; M519-H523 HydrophobicContact CG-CB 4.07Å; M519-D643 HydrophobicContact CG-CB 3.86Å; M519-L652 HydrophobicContact SD-CD1 4.37Å | ||
| 520 | T | 94.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | trans | -79.6 | 170.6 | 169.7 | 69.4 | 0 | 0 | 0 | 0 | 111.2 | L513 T514 L522 H523 H524 | L513-T520 WeakPolarHBondContact O-CA 3.36Å; T514-T520 HydrophobicContact CG2-CG2 3.74Å; T520-L522 PolarHBondContact O-N 3.41Å; T520-L522 PolarHBondContact OG1-N 3.43Å; T520-H523 PolarHBondContact N-ND1 3.18Å; T520-H523 VanDerWaalsContact N-ND1 3.16Å; T520-H523 WeakPolarHBondContact O-CB 3.39Å; T520-H523 PolarHBondContact O-N 3.25Å; T520-H523 PolarHBondContact OG1-N 3.21Å; T520-H523 PolarHBondContact OG1-ND1 3.41Å; T520-H524 PolarHBondContact O-CD2 3.27Å; T520-H524 VanDerWaalsContact O-CD2 3.29Å; T520-H524 PolarHBondContact O-N 3.12Å; T520-H524 VanDerWaalsContact O-N 3.15Å | ||
| 521 | A | 94.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.017 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.6 | -33.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | L487 M488 A491 H524 A525 L537 | L487-A521 HydrophobicContact CD2-CB 4.08Å; L487-A521 HydrophobicContact CG-CB 3.77Å; M488-A521 HydrophobicContact CG-CB 4.23Å; A491-A521 HydrophobicContact CB-CB 4.04Å; A491-A521 WeakPolarHBondContact CB-O 3.39Å; A521-H524 PolarHBondContact O-N 2.93Å; A521-A525 PolarHBondContact O-N 2.95Å; A521-L537 HydrophobicContact CB-CD1 4.29Å |
| 522 | L | 93.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.7 | -37.8 | 177.3 | -169.8 | 57.4 | 0 | 0 | 0 | 112.2 | T520 H524 A525 C526 V534 L537 M538 L638 L649 | T520-L522 PolarHBondContact O-N 3.41Å; T520-L522 PolarHBondContact OG1-N 3.43Å; L522-H524 VanDerWaalsContact C-N 3.33Å; L522-H524 PolarHBondContact O-N 3.14Å; L522-A525 PolarHBondContact O-N 3.19Å; L522-C526 PolarHBondContact O-N 2.83Å; L522-C526 PolarHBondContact O-SG 3.35Å; L522-C526 VanDerWaalsContact O-SG 3.36Å; L522-V534 HydrophobicContact CD1-CB 4.42Å; L522-V534 HydrophobicContact CD1-CG1 4.11Å; L522-V534 HydrophobicContact CD1-CG2 4.41Å; L522-L537 HydrophobicContact CD1-CB 4.05Å; L522-L537 HydrophobicContact CD1-CD1 4.32Å; L522-M538 HydrophobicContact CD1-CG 3.87Å; L522-M538 HydrophobicContact CD1-SD 4.28Å; L522-M538 HydrophobicContact CD2-CG 3.76Å; L522-M538 HydrophobicContact CD2-SD 4.2Å; L522-M538 HydrophobicContact CG-CG 4.49Å; L522-L638 HydrophobicContact CD2-CB 4.13Å; L522-L649 HydrophobicContact CB-CD2 4.17Å; L522-L649 HydrophobicContact CD2-CD1 3.39Å; L522-L649 HydrophobicContact CD2-CD2 4.32Å; L522-L649 HydrophobicContact CD2-CG 4.5Å; L522-L649 HydrophobicContact CG-CD1 3.72Å; L522-L649 HydrophobicContact CG-CD2 3.86Å; L522-L649 HydrophobicContact CG-CG 4.45Å |
| 523 | H | 95.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 172.2 | -70.6 | 88.3 | 0 | 0 | 0 | 111.2 | M519 T520 C526 Y527 T641 L649 L652 | M519-H523 HydrophobicContact CB-CB 3.78Å; M519-H523 HydrophobicContact CG-CB 4.07Å; T520-H523 PolarHBondContact N-ND1 3.18Å; T520-H523 VanDerWaalsContact N-ND1 3.16Å; T520-H523 WeakPolarHBondContact O-CB 3.39Å; T520-H523 PolarHBondContact O-N 3.25Å; T520-H523 PolarHBondContact OG1-N 3.21Å; T520-H523 PolarHBondContact OG1-ND1 3.41Å; H523-C526 PolarHBondContact O-N 3.39Å; H523-Y527 VanDerWaalsContact O-CB 3.26Å; H523-Y527 WeakPolarHBondContact O-CB 3.49Å; H523-Y527 PolarHBondContact O-N 3.38Å; H523-T641 PolarHBondContact CE1-OG1 3.49Å; H523-T641 VanDerWaalsContact CE1-OG1 3.24Å; H523-T641 PolarHBondContact NE2-O 3.2Å; H523-L649 HydrophobicContact CB-CD2 4.25Å; H523-L652 HydrophobicContact CB-CD1 3.73Å |
| 524 | H | 96.4 | Very high | 94.3 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 3% | 0.032 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.9 | -77.3 | -73.8 | 0 | 0 | 0 | 112 | A491 E492 D515 T520 A521 L522 C526 Y527 V528 | A491-H524 HydrophobicContact CB-CB 4.11Å; E492-H524 HydrophobicContact CB-CB 4.48Å; D515-H524 IonicContact OD2-CE1 2.83Å; D515-H524 IonicContact OD2-NE2 3.39Å; D515-H524 PolarHBondContact OD2-NE2 3.46Å; T520-H524 PolarHBondContact O-CD2 3.27Å; T520-H524 VanDerWaalsContact O-CD2 3.29Å; T520-H524 PolarHBondContact O-N 3.12Å; T520-H524 VanDerWaalsContact O-N 3.15Å; A521-H524 PolarHBondContact O-N 2.93Å; L522-H524 VanDerWaalsContact C-N 3.33Å; L522-H524 PolarHBondContact O-N 3.14Å; H524-C526 PolarHBondContact O-N 3.44Å; H524-Y527 PolarHBondContact O-N 3.24Å; H524-V528 WeakPolarHBondContact O-CG2 3.31Å; H524-V528 PolarHBondContact O-N 2.92Å |
| 525 | A | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A491 A521 L522 G529 S530 M533 V534 L537 | A491-A525 HydrophobicContact CB-CB 4.35Å; A521-A525 PolarHBondContact O-N 2.95Å; L522-A525 PolarHBondContact O-N 3.19Å; A525-G529 PolarHBondContact O-N 2.95Å; A525-S530 PolarHBondContact O-N 2.99Å; A525-M533 HydrophobicContact CB-CB 4.16Å; A525-M533 HydrophobicContact CB-CG 3.63Å; A525-V534 HydrophobicContact CB-CG2 3.77Å; A525-L537 HydrophobicContact CB-CD1 4.13Å |
| 526 | C | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.9 | -37.1 | 176.2 | -69.4 | 0 | 0 | 0 | 0 | 112.6 | L522 H523 H524 V528 G529 A653 H658 V661 | L522-C526 PolarHBondContact O-N 2.83Å; L522-C526 PolarHBondContact O-SG 3.35Å; L522-C526 VanDerWaalsContact O-SG 3.36Å; H523-C526 PolarHBondContact O-N 3.39Å; H524-C526 PolarHBondContact O-N 3.44Å; C526-V528 VanDerWaalsContact C-N 3.35Å; C526-G529 PolarHBondContact O-N 3.45Å; C526-A653 HydrophobicContact CB-CB 4.45Å; C526-H658 PolarHBondContact O-CD2 3.32Å; C526-H658 VanDerWaalsContact O-CD2 3.31Å; C526-V661 HydrophobicContact CB-CG1 4.27Å |
| 527 | Y | 95.6 | Very high | 94 | Very high | 76 Ų | 76 | 23 Ų | 23 | 30% | 0.298 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -66.3 | -35.9 | 177 | -178.8 | -106.5 | 0 | 0 | 0 | 112.7 | H523 H524 L652 R656 H658 | H523-Y527 VanDerWaalsContact O-CB 3.26Å; H523-Y527 WeakPolarHBondContact O-CB 3.49Å; H523-Y527 PolarHBondContact O-N 3.38Å; H524-Y527 PolarHBondContact O-N 3.24Å; Y527-L652 HydrophobicContact CD2-CD2 4.28Å; Y527-R656 HydrophobicContact CD2-CG 3.76Å; Y527-R656 HydrophobicContact CE2-CG 3.91Å; Y527-R656 VanDerWaalsContact CE2-NE 3.33Å; Y527-R656 HydrophobicContact CG-CG 4.43Å; Y527-R656 WeakPolarHBondContact O-CG 3.03Å; Y527-R656 PolarHBondContact O-NH2 3.35Å; Y527-R656 PolarHBondContact OH-NE 2.98Å; Y527-R656 PolarHBondContact OH-NH1 3.47Å; Y527-H658 PolarHBondContact O-NE2 2.87Å; Y527-H658 VanDerWaalsContact O-NE2 3.16Å |
| 528 | V | 95.4 | Very high | 93.8 | Very high | 53 Ų | 53 | 21.1 Ų | 21.1 | 32% | 0.321 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -83 | -24.9 | 176.9 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | E492 H524 C526 H658 | E492-V528 HydrophobicContact CG-CG2 4.45Å; E492-V528 WeakPolarHBondContact O-CG2 3.42Å; H524-V528 WeakPolarHBondContact O-CG2 3.31Å; H524-V528 PolarHBondContact O-N 2.92Å; C526-V528 VanDerWaalsContact C-N 3.35Å; V528-H658 PolarHBondContact O-CE1 3.29Å; V528-H658 VanDerWaalsContact O-CE1 3.24Å; V528-H658 PolarHBondContact O-NE2 3.44Å |
| 529 | G | 93.6 | Very high | 93.4 | Very high | 22 Ų | 22 | 22 Ų | 22 | 23% | 0.227 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 20.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A525 C526 L531 H658 | A525-G529 PolarHBondContact O-N 2.95Å; C526-G529 PolarHBondContact O-N 3.45Å; G529-L531 PolarHBondContact O-N 3.08Å; G529-L531 VanDerWaalsContact O-N 3.09Å; G529-H658 WeakPolarHBondContact CA-CD2 3.43Å; G529-H658 WeakPolarHBondContact CA-NE2 3.3Å; G529-H658 PolarHBondContact N-CD2 2.96Å; G529-H658 PolarHBondContact N-NE2 3.29Å |
| 530 | S | 94.5 | Very high | 92.3 | Very high | 13 Ų | 13 | 26.5 Ų | 26.5 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | trans | -81.7 | 90.9 | -178.6 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | A525 N532 M533 V534 | A525-S530 PolarHBondContact O-N 2.99Å; S530-N532 VanDerWaalsContact C-N 3.31Å; S530-N532 PolarHBondContact O-N 3.06Å; S530-M533 WeakPolarHBondContact O-CB 3.38Å; S530-M533 PolarHBondContact O-N 3.4Å; S530-M533 VanDerWaalsContact OG-CB 3.32Å; S530-M533 WeakPolarHBondContact OG-CB 3.28Å; S530-V534 WeakPolarHBondContact O-CG2 3.46Å; S530-V534 PolarHBondContact O-N 3.27Å | ||
| 531 | L | 93.9 | Very high | 90.4 | Very high | 23 Ų | 23 | 30 Ų | 30 | 12% | 0.12 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.3 | -43.5 | -178.1 | -179.7 | 63 | 0 | 0 | 0 | 112.7 | G529 M533 V534 R535 E660 V661 Y664 | G529-L531 PolarHBondContact O-N 3.08Å; G529-L531 VanDerWaalsContact O-N 3.09Å; L531-M533 VanDerWaalsContact C-N 3.3Å; L531-M533 PolarHBondContact O-N 3.42Å; L531-V534 PolarHBondContact O-N 3.17Å; L531-R535 HydrophobicContact CD1-CG 4.29Å; L531-R535 HydrophobicContact CG-CG 4.44Å; L531-R535 WeakPolarHBondContact O-CB 3.38Å; L531-R535 WeakPolarHBondContact O-CG 3.24Å; L531-R535 PolarHBondContact O-N 3.13Å; L531-E660 HydrophobicContact CD2-CB 4.23Å; L531-V661 HydrophobicContact CB-CG2 4.39Å; L531-V661 HydrophobicContact CD1-CG2 4.48Å; L531-Y664 HydrophobicContact CD1-CD1 4.44Å; L531-Y664 HydrophobicContact CD1-CD2 4.16Å; L531-Y664 HydrophobicContact CD1-CG 3.84Å |
| 532 | N | 93.3 | Very high | 88.2 | Confident | 85 Ų | 85 | 35.2 Ų | 35.2 | 46% | 0.455 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.6 | -35 | 178.9 | -69.3 | -16.1 | 0 | 0 | 0 | 112.4 | L498 S530 Y536 | L498-N532 HydrophobicContact CD2-CB 3.9Å; S530-N532 VanDerWaalsContact C-N 3.31Å; S530-N532 PolarHBondContact O-N 3.06Å; N532-Y536 WeakPolarHBondContact O-CB 3.43Å; N532-Y536 PolarHBondContact O-N 3.36Å |
| 533 | M | 93.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.9 | -45.4 | 173.4 | -175.7 | 70.4 | 74 | 0 | 0 | 111 | A490 A491 G494 L498 A501 A525 S530 L531 Y536 L537 | A490-M533 WeakPolarHBondContact O-CE 3.49Å; A491-M533 HydrophobicContact CB-CG 4.41Å; G494-M533 VanDerWaalsContact O-CE 3.22Å; G494-M533 WeakPolarHBondContact O-CE 3.43Å; L498-M533 VanDerWaalsContact CA-CE 3.42Å; L498-M533 HydrophobicContact CB-CE 4.1Å; L498-M533 HydrophobicContact CD1-CB 4.33Å; L498-M533 HydrophobicContact CD1-CE 4.04Å; L498-M533 HydrophobicContact CD1-SD 3.88Å; A501-M533 HydrophobicContact CB-CE 3.72Å; A501-M533 HydrophobicContact CB-SD 3.42Å; A501-M533 WeakPolarHBondContact CB-SD 3.47Å; A525-M533 HydrophobicContact CB-CB 4.16Å; A525-M533 HydrophobicContact CB-CG 3.63Å; S530-M533 WeakPolarHBondContact O-CB 3.38Å; S530-M533 PolarHBondContact O-N 3.4Å; S530-M533 VanDerWaalsContact OG-CB 3.32Å; S530-M533 WeakPolarHBondContact OG-CB 3.28Å; L531-M533 VanDerWaalsContact C-N 3.3Å; L531-M533 PolarHBondContact O-N 3.42Å; M533-Y536 PolarHBondContact O-N 2.94Å; M533-L537 HydrophobicContact CG-CD1 3.93Å; M533-L537 HydrophobicContact CG-CG 4.34Å; M533-L537 WeakPolarHBondContact O-CB 3.4Å; M533-L537 VanDerWaalsContact O-CG 3.28Å; M533-L537 WeakPolarHBondContact O-CG 3.13Å; M533-L537 PolarHBondContact O-N 3.29Å; M533-L537 HydrophobicContact SD-CD1 4.26Å; M533-L537 HydrophobicContact SD-CG 4.3Å |
| 534 | V | 93.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -49 | 177.4 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | L522 A525 S530 L531 Y536 L537 M538 V661 Y664 | L522-V534 HydrophobicContact CD1-CB 4.42Å; L522-V534 HydrophobicContact CD1-CG1 4.11Å; L522-V534 HydrophobicContact CD1-CG2 4.41Å; A525-V534 HydrophobicContact CB-CG2 3.77Å; S530-V534 WeakPolarHBondContact O-CG2 3.46Å; S530-V534 PolarHBondContact O-N 3.27Å; L531-V534 PolarHBondContact O-N 3.17Å; V534-Y536 PolarHBondContact O-N 3.12Å; V534-L537 PolarHBondContact O-N 3.16Å; V534-M538 HydrophobicContact CG1-SD 3.78Å; V534-M538 WeakPolarHBondContact O-CB 3.37Å; V534-M538 WeakPolarHBondContact O-CG 3.31Å; V534-M538 PolarHBondContact O-N 3.07Å; V534-V661 HydrophobicContact CG2-CG1 4.2Å; V534-Y664 HydrophobicContact CG1-CD1 3.86Å; V534-Y664 HydrophobicContact CG1-CE1 3.84Å |
| 535 | R | 92.2 | Very high | 79.9 | Confident | 107 Ų | 107 | 50.3 Ų | 50.3 | 40% | 0.404 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.5 | -51.5 | 175.3 | -76.8 | 175.3 | 178.7 | -167.1 | 0.8 | 111.8 | L531 L537 M538 E539 Y664 | L531-R535 HydrophobicContact CD1-CG 4.29Å; L531-R535 HydrophobicContact CG-CG 4.44Å; L531-R535 WeakPolarHBondContact O-CB 3.38Å; L531-R535 WeakPolarHBondContact O-CG 3.24Å; L531-R535 PolarHBondContact O-N 3.13Å; R535-L537 PolarHBondContact O-N 3.47Å; R535-M538 PolarHBondContact O-N 3.29Å; R535-E539 WeakPolarHBondContact O-CB 3.35Å; R535-E539 PolarHBondContact O-N 3.15Å; R535-Y664 HydrophobicContact CG-CD2 4.04Å; R535-Y664 HydrophobicContact CG-CE1 4.31Å; R535-Y664 HydrophobicContact CG-CE2 3.43Å; R535-Y664 VanDerWaalsContact CG-CE2 3.43Å |
| 536 | Y | 90.8 | Very high | 76.6 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 179.8 | 179.9 | -102.3 | 0 | 0 | 0 | 112.4 | I502 V505 N506 N532 M533 V534 M538 R540 V541 H542 | I502-Y536 WeakPolarHBondContact CA-OH 3.24Å; I502-Y536 HydrophobicContact CB-CE1 4.15Å; I502-Y536 HydrophobicContact CB-CE2 4.48Å; I502-Y536 HydrophobicContact CG1-CD1 3.95Å; I502-Y536 HydrophobicContact CG1-CD2 3.99Å; I502-Y536 HydrophobicContact CG1-CE1 3.65Å; I502-Y536 HydrophobicContact CG1-CE2 3.72Å; I502-Y536 HydrophobicContact CG1-CG 4.11Å; I502-Y536 HydrophobicContact CG2-CE2 4.42Å; I502-Y536 PolarHBondContact O-OH 3.24Å; V505-Y536 HydrophobicContact CB-CE1 3.94Å; V505-Y536 HydrophobicContact CG1-CE1 4.23Å; V505-Y536 HydrophobicContact CG2-CE1 3.98Å; N506-Y536 PolarHBondContact OD1-OH 3.38Å; N532-Y536 WeakPolarHBondContact O-CB 3.43Å; N532-Y536 PolarHBondContact O-N 3.36Å; M533-Y536 PolarHBondContact O-N 2.94Å; V534-Y536 PolarHBondContact O-N 3.12Å; Y536-M538 VanDerWaalsContact C-N 3.31Å; Y536-M538 PolarHBondContact O-N 3.45Å; Y536-R540 WeakPolarHBondContact O-CA 2.83Å; Y536-R540 PolarHBondContact O-N 2.9Å; Y536-V541 WeakPolarHBondContact CD2-O 3.47Å; Y536-H542 AromaticContact CE2-ND1 3.88Å |
| 537 | L | 91.1 | Very high | 73.2 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.2 | -30.9 | -179.3 | -69 | 177.6 | 0 | 0 | 0 | 113 | L487 A491 V505 L511 A521 L522 A525 M533 V534 R535 N635 | L487-L537 HydrophobicContact CD1-CD2 4.26Å; A491-L537 HydrophobicContact CB-CD1 4.49Å; V505-L537 HydrophobicContact CG2-CD2 4.02Å; L511-L537 HydrophobicContact CD2-CB 4.26Å; L511-L537 HydrophobicContact CD2-CD2 4.08Å; L511-L537 VanDerWaalsContact CD2-O 3.29Å; L511-L537 WeakPolarHBondContact CD2-O 3.24Å; L511-L537 HydrophobicContact CG-CD2 4.44Å; A521-L537 HydrophobicContact CB-CD1 4.29Å; L522-L537 HydrophobicContact CD1-CB 4.05Å; L522-L537 HydrophobicContact CD1-CD1 4.32Å; A525-L537 HydrophobicContact CB-CD1 4.13Å; M533-L537 HydrophobicContact CG-CD1 3.93Å; M533-L537 HydrophobicContact CG-CG 4.34Å; M533-L537 WeakPolarHBondContact O-CB 3.4Å; M533-L537 VanDerWaalsContact O-CG 3.28Å; M533-L537 WeakPolarHBondContact O-CG 3.13Å; M533-L537 PolarHBondContact O-N 3.29Å; M533-L537 HydrophobicContact SD-CD1 4.26Å; M533-L537 HydrophobicContact SD-CG 4.3Å; V534-L537 PolarHBondContact O-N 3.16Å; R535-L537 PolarHBondContact O-N 3.47Å; L537-N635 PolarHBondContact O-ND2 2.95Å |
| 538 | M | 88 | Confident | 69.8 | Low | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.015 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -84.7 | -45.2 | -179.4 | -74 | -176.1 | 69.7 | 0 | 0 | 112.9 | L522 V534 R535 Y536 L633 S634 L639 Y664 L665 H668 | L522-M538 HydrophobicContact CD1-CG 3.87Å; L522-M538 HydrophobicContact CD1-SD 4.28Å; L522-M538 HydrophobicContact CD2-CG 3.76Å; L522-M538 HydrophobicContact CD2-SD 4.2Å; L522-M538 HydrophobicContact CG-CG 4.49Å; V534-M538 HydrophobicContact CG1-SD 3.78Å; V534-M538 WeakPolarHBondContact O-CB 3.37Å; V534-M538 WeakPolarHBondContact O-CG 3.31Å; V534-M538 PolarHBondContact O-N 3.07Å; R535-M538 PolarHBondContact O-N 3.29Å; Y536-M538 VanDerWaalsContact C-N 3.31Å; Y536-M538 PolarHBondContact O-N 3.45Å; M538-L633 HydrophobicContact CB-CD2 4.05Å; M538-L633 HydrophobicContact CE-CD1 4.16Å; M538-L633 HydrophobicContact CE-CD2 3.64Å; M538-S634 WeakPolarHBondContact O-CB 3.46Å; M538-S634 PolarHBondContact O-N 2.64Å; M538-S634 PolarHBondContact O-OG 2.71Å; M538-L639 HydrophobicContact CE-CD1 3.45Å; M538-L639 VanDerWaalsContact CE-CD1 3.45Å; M538-Y664 HydrophobicContact CE-CE1 4.35Å; M538-Y664 HydrophobicContact SD-CD1 4.46Å; M538-Y664 HydrophobicContact SD-CE1 3.71Å; M538-L665 HydrophobicContact CE-CD2 4.22Å; M538-L665 HydrophobicContact SD-CD2 3.86Å; M538-H668 HydrophobicContact CE-CB 4.43Å |
| 539 | E | 84.2 | Confident | 66.5 | Low | 34 Ų | 34 | 65.2 Ų | 65.2 | 16% | 0.159 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -95.9 | -19.8 | -173.4 | -57.6 | 177.5 | 170.2 | 0 | 0 | 113 | R535 V541 S631 Y664 | R535-E539 WeakPolarHBondContact O-CB 3.35Å; R535-E539 PolarHBondContact O-N 3.15Å; E539-V541 HydrophobicContact CB-CB 4.03Å; E539-V541 HydrophobicContact CB-CG2 3.68Å; E539-V541 PolarHBondContact O-N 2.83Å; E539-S631 VanDerWaalsContact CD-OG 3.27Å; E539-S631 WeakPolarHBondContact OE1-CB 3.35Å; E539-S631 PolarHBondContact OE1-OG 3.19Å; E539-Y664 WeakPolarHBondContact CG-OH 3.4Å; E539-Y664 PolarHBondContact OE1-OH 2.85Å |
| 540 | R | 72.4 | Confident | 63.2 | Low | 117 Ų | 117 | 72.1 Ų | 72.1 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | trans | 55.4 | 22.9 | -164.4 | -71 | -179.5 | 167.8 | 103.9 | -7.4 | 113.5 | Y536 S634 N635 | Y536-R540 WeakPolarHBondContact O-CA 2.83Å; Y536-R540 PolarHBondContact O-N 2.9Å; R540-S634 WeakPolarHBondContact CG-OG 3.47Å; R540-S634 PolarHBondContact NH1-OG 2.85Å; R540-N635 PolarHBondContact NH1-ND2 2.96Å; R540-N635 VanDerWaalsContact NH1-ND2 3.11Å; R540-N635 PolarHBondContact NH1-OD1 2.93Å | ||
| 541 | V | 54.8 | Low | 59.8 | Low | 77 Ų | 77 | 77.7 Ų | 77.7 | 47% | 0.467 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 122.9 | 177.1 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | Y536 E539 | Y536-V541 WeakPolarHBondContact CD2-O 3.47Å; E539-V541 HydrophobicContact CB-CB 4.03Å; E539-V541 HydrophobicContact CB-CG2 3.68Å; E539-V541 PolarHBondContact O-N 2.83Å |
| 542 | H | 48.4 | Very low | 56.4 | Low | 112 Ų | 112 | 81.7 Ų | 81.7 | 52% | 0.519 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -55 | 132.2 | 173.8 | -77.5 | -54.1 | 0 | 0 | 0 | 110 | Y536 T544 | Y536-H542 AromaticContact CE2-ND1 3.88Å; H542-T544 PolarHBondContact O-N 3.12Å; H542-T544 VanDerWaalsContact O-N 3.14Å |
| 543 | P | 43.1 | Very low | 53.1 | Low | 42 Ų | 42 | 83.7 Ų | 83.7 | 27% | 0.273 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 123.8 | -178.7 | -16.4 | 24 | 0 | 0 | 0 | 109.9 | L498 I502 I545 | L498-P543 HydrophobicContact CD1-CG 4.46Å; L498-P543 HydrophobicContact CD2-CG 3.75Å; L498-P543 HydrophobicContact CG-CG 4.33Å; I502-P543 HydrophobicContact CD1-CG 4.35Å; P543-I545 PolarHBondContact O-N 2.7Å; P543-I545 VanDerWaalsContact O-N 3.09Å |
| 544 | T | 35.6 | Very low | 49.8 | Very low | 131 Ų | 131 | 90 Ų | 90 | 80% | 0.804 | 50% | 0.502 | S | S | * | . | trans | -67.2 | 109.8 | 169.8 | 45.4 | 0 | 0 | 0 | 0 | 107.6 | H542 S546 | H542-T544 PolarHBondContact O-N 3.12Å; H542-T544 VanDerWaalsContact O-N 3.14Å; T544-S546 VanDerWaalsContact C-N 3.32Å; T544-S546 PolarHBondContact O-N 3.25Å | ||
| 545 | I | 32.4 | Very low | 46.5 | Very low | 156 Ų | 156 | 95.9 Ų | 95.9 | 80% | 0.8 | 54% | 0.538 | S | S | * | . | trans | -67.2 | 98.2 | 173.1 | -58.3 | 172.4 | 0 | 0 | 0 | 106.2 | P543 C547 | P543-I545 PolarHBondContact O-N 2.7Å; P543-I545 VanDerWaalsContact O-N 3.09Å; I545-C547 PolarHBondContact O-N 3.08Å | ||
| 546 | S | 27.3 | Very low | 43.2 | Very low | 82 Ų | 82 | 96.8 Ų | 96.8 | 57% | 0.573 | 56% | 0.555 | S | S | * | * | trans | -63.6 | 102 | 163 | 175.2 | 0 | 0 | 0 | 0 | 106.9 | T544 N548 | T544-S546 VanDerWaalsContact C-N 3.32Å; T544-S546 PolarHBondContact O-N 3.25Å; S546-N548 PolarHBondContact O-N 3.23Å; S546-N548 PolarHBondContact OG-ND2 2.02Å; S546-N548 PolarHBondContact OG-OD1 3.47Å | ||
| 547 | C | 24.8 | Very low | 40.2 | Very low | 118 Ų | 118 | 103.3 Ų | 103.3 | 80% | 0.797 | 59% | 0.589 | S | S | * | * | trans | -71.9 | 67.9 | 172.5 | 44.5 | 0 | 0 | 0 | 0 | 109.4 | I545 T549 | I545-C547 PolarHBondContact O-N 3.08Å; C547-T549 PolarHBondContact O-N 3Å | ||
| 548 | N | 24.1 | Very low | 36.9 | Very low | 128 Ų | 128 | 108.2 Ų | 108.2 | 68% | 0.684 | 62% | 0.622 | S | S | * | * | trans | -79 | 122 | 170.1 | -79.6 | -10.8 | 0 | 0 | 0 | 109.6 | S546 | S546-N548 PolarHBondContact O-N 3.23Å; S546-N548 PolarHBondContact OG-ND2 2.02Å; S546-N548 PolarHBondContact OG-OD1 3.47Å | ||
| 549 | T | 24.8 | Very low | 34 | Very low | 114 Ų | 114 | 114.3 Ų | 114.3 | 70% | 0.699 | 66% | 0.659 | S | S | * | * | trans | 64.5 | 71.4 | 161.7 | 54 | 0 | 0 | 0 | 0 | 116.9 | C547 | C547-T549 PolarHBondContact O-N 3Š| ||
| 550 | M | 24.2 | Very low | 31.3 | Very low | 167 Ų | 167 | 118.6 Ų | 118.6 | 82% | 0.823 | 69% | 0.688 | S | S | * | * | trans | -100.2 | 91.8 | 130.8 | -78.1 | -72.2 | 137.1 | 0 | 0 | 106.1 | T552 | M550-T552 PolarHBondContact O-N 2.83Š| ||
| 551 | T | 23.4 | Very low | 28.9 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | -65.7 | 74.4 | 160.1 | 37.6 | 0 | 0 | 0 | 0 | 107.5 | T553 | T551-T553 VanDerWaalsContact C-N 3.34Å; T551-T553 PolarHBondContact O-N 3.25Å; T551-T553 VanDerWaalsContact O-N 3.13Å | ||
| 552 | T | 23.3 | Very low | 27.7 | Very low | 106 Ų | 106 | 120.8 Ų | 120.8 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | trans | -73.5 | 98.8 | 160.8 | 33.6 | 0 | 0 | 0 | 0 | 106 | M550 T554 | M550-T552 PolarHBondContact O-N 2.83Å; T552-T554 PolarHBondContact O-N 3.35Å; T552-T554 PolarHBondContact O-OG1 2.89Å | ||
| 553 | T | 23 | Very low | 26.5 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -35.2 | 103.3 | 161.2 | 35.9 | 0 | 0 | 0 | 0 | 109.1 | T551 T555 | T551-T553 VanDerWaalsContact C-N 3.34Å; T551-T553 PolarHBondContact O-N 3.25Å; T551-T553 VanDerWaalsContact O-N 3.13Å; T553-T555 PolarHBondContact O-N 3.29Å; T553-T555 PolarHBondContact O-OG1 3.08Å | ||
| 554 | T | 24.1 | Very low | 25.6 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -77.3 | 84.5 | 178.5 | -19.7 | 0 | 0 | 0 | 0 | 105.7 | T552 T556 | T552-T554 PolarHBondContact O-N 3.35Å; T552-T554 PolarHBondContact O-OG1 2.89Å; T554-T556 PolarHBondContact O-N 3.01Å; T554-T556 PolarHBondContact O-OG1 3.19Å | ||
| 555 | T | 24.4 | Very low | 25.2 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -61.8 | 104 | 170.2 | -13.8 | 0 | 0 | 0 | 0 | 106.7 | T553 I557 | T553-T555 PolarHBondContact O-N 3.29Å; T553-T555 PolarHBondContact O-OG1 3.08Å; T555-I557 PolarHBondContact O-N 3.16Å | ||
| 556 | T | 23.4 | Very low | 24.8 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | trans | -66.2 | 99.4 | 177.8 | -21.1 | 0 | 0 | 0 | 0 | 107.3 | T554 | T554-T556 PolarHBondContact O-N 3.01Å; T554-T556 PolarHBondContact O-OG1 3.19Å | ||
| 557 | I | 26.9 | Very low | 24.7 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | -107.8 | 96.4 | 162 | -60.5 | 179.3 | 0 | 0 | 0 | 105.8 | T555 T559 | T555-I557 PolarHBondContact O-N 3.16Å; I557-T559 PolarHBondContact O-N 3.24Å | ||
| 558 | C | 22.4 | Very low | 24.8 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | -55.9 | 117.8 | 171.8 | -60.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 559 | T | 26.4 | Very low | 24.7 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -113.7 | 102.7 | 159.9 | 45.7 | 0 | 0 | 0 | 0 | 108.4 | I557 | I557-T559 PolarHBondContact O-N 3.24Š| ||
| 560 | T | 27.8 | Very low | 24.8 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -64.2 | 132.1 | 170.9 | 36.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 561 | T | 23.5 | Very low | 24.7 | Very low | 139 Ų | 139 | 124 Ų | 124 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -6.4 | 116.5 | 153.3 | 50.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 562 | A | 28 | Very low | 25 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -144 | 108.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 563 | T | 24.7 | Very low | 25.1 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -64.5 | 153.2 | 169.3 | 35.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 564 | T | 23.7 | Very low | 25.2 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | 81.5 | 141.2 | 149 | 50.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 565 | M | 27.3 | Very low | 25.4 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 86% | 0.862 | 80% | 0.799 | S | S | * | * | trans | 92.5 | 95.8 | 165.2 | -48 | -140.7 | 78.5 | 0 | 0 | 115.5 | ||||
| 566 | A | 23.3 | Very low | 25.3 | Very low | 80 Ų | 80 | 130.7 Ų | 130.7 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | 79.5 | 125.7 | 70.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 567 | T | 24.7 | Very low | 25.3 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | 64.3 | 111.1 | 160.8 | 60.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 568 | T | 27.5 | Very low | 25.3 | Very low | 142 Ų | 142 | 130 Ų | 130 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | -168 | 129.6 | 103.9 | 35.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 569 | S | 22.2 | Very low | 25.4 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -57.3 | 130.6 | 171.5 | 44.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 570 | A | 26.9 | Very low | 25.3 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -148 | 109.8 | 152 | 0 | 0 | 0 | 0 | 0 | 109.8 | I572 | A570-I572 PolarHBondContact O-N 2.91Š| ||
| 571 | S | 23 | Very low | 25.2 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -19.8 | 111 | 167.3 | 51.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 572 | I | 28.4 | Very low | 25.4 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | trans | -104.1 | 108.5 | 152.8 | -63.6 | 175.2 | 0 | 0 | 0 | 107 | A570 K574 | A570-I572 PolarHBondContact O-N 2.91Å; I572-K574 PolarHBondContact O-N 2.98Å | ||
| 573 | S | 26 | Very low | 25.2 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -70.7 | 114.8 | 178.1 | 49.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 574 | K | 25.4 | Very low | 25.5 | Very low | 193 Ų | 193 | 132.9 Ų | 132.9 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | 0.5 | 112.3 | 151.4 | -71 | 171.2 | 175.3 | 173.6 | 0 | 117 | I572 | I572-K574 PolarHBondContact O-N 2.98Š| ||
| 575 | T | 27 | Very low | 25.6 | Very low | 148 Ų | 148 | 138 Ų | 138 | 91% | 0.908 | 82% | 0.817 | S | S | * | * | trans | -132.1 | 83.8 | 134.2 | 47.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 576 | N | 22.6 | Very low | 25.6 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | trans | -85.3 | 139.7 | 173.7 | -110.3 | -10.5 | 0 | 0 | 0 | 110.2 | ||||
| 577 | S | 24.2 | Very low | 25.7 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 68% | 0.678 | 82% | 0.823 | S | S | * | * | trans | 62.4 | 112.4 | 142.2 | 66.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 578 | L | 26.2 | Very low | 25.7 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | -165.4 | 66.9 | 120.7 | -93.6 | 142.1 | 0 | 0 | 0 | 109.1 | N580 | L578-N580 VanDerWaalsContact C-N 3.26Å; L578-N580 HydrophobicContact CD2-CB 4.41Å; L578-N580 PolarHBondContact O-N 3.06Å | |||
| 579 | L | 25.8 | Very low | 25.7 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 95% | 0.948 | 82% | 0.823 | S | S | * | * | trans | -77.5 | 81.5 | 156.6 | -84.8 | 148.8 | 0 | 0 | 0 | 107 | ||||
| 580 | N | 24.2 | Very low | 25.9 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -121 | 106.8 | 173.3 | -100.5 | -8.9 | 0 | 0 | 0 | 108.8 | L578 | L578-N580 VanDerWaalsContact C-N 3.26Å; L578-N580 HydrophobicContact CD2-CB 4.41Å; L578-N580 PolarHBondContact O-N 3.06Å | ||
| 581 | G | 25.3 | Very low | 26 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | S | Bend | trans | 175.8 | 59.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 582 | S | 26.5 | Very low | 26.1 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 65 | 59.9 | 144 | -45.8 | 0 | 0 | 0 | 0 | 118.9 | A584 | S582-A584 VanDerWaalsContact C-N 3.32Å; S582-A584 PolarHBondContact O-N 3.26Å | ||
| 583 | N | 25.3 | Very low | 26.1 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 94% | 0.941 | 81% | 0.808 | S | S | * | * | trans | -78.8 | 89 | 147.5 | -85.6 | -20.7 | 0 | 0 | 0 | 108.3 | R585 | N583-R585 PolarHBondContact O-N 3.31Š| ||
| 584 | A | 29.7 | Very low | 26.2 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -66.8 | 103 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | S582 | S582-A584 VanDerWaalsContact C-N 3.32Å; S582-A584 PolarHBondContact O-N 3.26Å | ||
| 585 | R | 27.3 | Very low | 26.2 | Very low | 238 Ų | 238 | 139.8 Ų | 139.8 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | 52.4 | 96.3 | 140.9 | -70.5 | -177.2 | 155.5 | 154.2 | -4.9 | 117.9 | N583 S587 | N583-R585 PolarHBondContact O-N 3.31Å; R585-S587 PolarHBondContact O-N 3.14Å | ||
| 586 | L | 26.1 | Very low | 26.1 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | trans | -40.8 | 123.1 | 132.9 | -83.2 | 146.2 | 0 | 0 | 0 | 111 | ||||
| 587 | S | 24.7 | Very low | 26.3 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | 173.8 | 83.3 | 143.2 | 170.7 | 0 | 0 | 0 | 0 | 110 | R585 | R585-S587 PolarHBondContact O-N 3.14Š| ||
| 588 | C | 26.3 | Very low | 26.4 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 92% | 0.919 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -134.7 | 92.3 | 141.8 | -140 | 0 | 0 | 0 | 0 | 107.6 | ||
| 589 | L | 27.4 | Very low | 26.4 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -1 | 130.1 | 165.3 | -66.3 | 157.5 | 0 | 0 | 0 | 119.4 | ||||
| 590 | L | 26.7 | Very low | 26.3 | Very low | 135 Ų | 135 | 134 Ų | 134 | 71% | 0.707 | 80% | 0.795 | S | S | * | * | trans | -22.9 | 121.7 | 155.2 | -61.7 | 95.7 | 0 | 0 | 0 | 115.6 | T592 | L590-T592 HydrophobicContact CB-CG2 4.49Å; L590-T592 HydrophobicContact CD2-CG2 3.95Å; L590-T592 HydrophobicContact CG-CG2 4.47Å | ||
| 591 | S | 28.2 | Very low | 26.4 | Very low | 123 Ų | 123 | 133 Ų | 133 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -116.8 | 73.4 | 138.6 | -66.4 | 0 | 0 | 0 | 0 | 107.6 | S593 | S591-S593 PolarHBondContact O-N 3.44Š| ||
| 592 | T | 25.4 | Very low | 26.4 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -82.2 | 89.6 | 171.3 | 46.7 | 0 | 0 | 0 | 0 | 110 | L590 | L590-T592 HydrophobicContact CB-CG2 4.49Å; L590-T592 HydrophobicContact CD2-CG2 3.95Å; L590-T592 HydrophobicContact CG-CG2 4.47Å | ||
| 593 | S | 27.4 | Very low | 26.2 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -169.2 | 95.9 | 153.7 | 55.3 | 0 | 0 | 0 | 0 | 104.4 | S591 | S591-S593 PolarHBondContact O-N 3.44Š| ||
| 594 | I | 28.9 | Very low | 26.1 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | -167.9 | 104.7 | 84.4 | -75.2 | 141.4 | 0 | 0 | 0 | 104.9 | S596 | I594-S596 VanDerWaalsContact CG2-OG 3.26Å; I594-S596 WeakPolarHBondContact CG2-OG 3.48Å | |||
| 595 | I | 25.3 | Very low | 25.8 | Very low | 183 Ų | 183 | 133 Ų | 133 | 94% | 0.938 | 79% | 0.791 | S | S | * | * | trans | -106.5 | 83.8 | 157.8 | -59.8 | 177 | 0 | 0 | 0 | 104.7 | ||||
| 596 | S | 25.4 | Very low | 26 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 55% | 0.545 | 78% | 0.784 | S | S | . | * | trans | -106.3 | 108.4 | 161.5 | 45.5 | 0 | 0 | 0 | 0 | 107.4 | I594 L598 | I594-S596 VanDerWaalsContact CG2-OG 3.26Å; I594-S596 WeakPolarHBondContact CG2-OG 3.48Å; S596-L598 PolarHBondContact O-N 3.06Å | ||
| 597 | S | 25.4 | Very low | 25.8 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -18 | 115 | 164.3 | 52 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 598 | L | 26.8 | Very low | 25.9 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -140.5 | 72.4 | 161.4 | -89.9 | 149.1 | 0 | 0 | 0 | 108.8 | S596 A600 | S596-L598 PolarHBondContact O-N 3.06Å; L598-A600 PolarHBondContact O-N 2.86Å | ||
| 599 | N | 25.6 | Very low | 25.7 | Very low | 178 Ų | 178 | 127.2 Ų | 127.2 | 95% | 0.952 | 78% | 0.775 | S | S | * | * | trans | -72.7 | 99.6 | 149.3 | -87.1 | -12.2 | 0 | 0 | 0 | 106.3 | ||||
| 600 | A | 25.2 | Very low | 25.6 | Very low | 79 Ų | 79 | 125 Ų | 125 | 65% | 0.653 | 77% | 0.772 | S | S | * | * | trans | -134.5 | 85 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | L598 G602 | L598-A600 PolarHBondContact O-N 2.86Å; A600-G602 PolarHBondContact O-N 3.26Å | ||
| 601 | S | 25.6 | Very low | 25.5 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | -63.9 | 104.6 | 156.3 | 43.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 602 | G | 25.3 | Very low | 25.3 | Very low | 61 Ų | 61 | 124.9 Ų | 124.9 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | trans | -139.9 | 96 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108 | A600 | A600-G602 PolarHBondContact O-N 3.26Š| ||
| 603 | S | 22.9 | Very low | 25.3 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | 59.3 | 94.2 | 90.5 | 79.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 604 | I | 23.2 | Very low | 25.1 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 26.4 | 98.6 | 135.4 | -51.3 | 167.6 | 0 | 0 | 0 | 114.2 | ||||
| 605 | C | 21.6 | Very low | 24.9 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 124 | 165.4 | 28.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 606 | P | 32.2 | Very low | 25 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -83 | 142.5 | -177.3 | 32.1 | -31 | 0 | 0 | 0 | 111.5 | N608 | P606-N608 PolarHBondContact O-N 3.49Š|
| 607 | N | 22.1 | Very low | 24.8 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 125.5 | 164.5 | -76.3 | -24.2 | 0 | 0 | 0 | 110.3 | ||
| 608 | N | 26 | Very low | 24.6 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -122.7 | 104.3 | 160.1 | -148 | 15.8 | 0 | 0 | 0 | 109.3 | P606 | P606-N608 PolarHBondContact O-N 3.49Š| ||
| 609 | S | 22.2 | Very low | 24.3 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | -71.5 | 152 | 166.6 | -64.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 610 | S | 25.2 | Very low | 24.2 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | 64.9 | 105.8 | 157.3 | 37.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 611 | N | 26.2 | Very low | 24.1 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | -173.1 | 147.1 | 104 | -91.6 | -22.5 | 0 | 0 | 0 | 112.5 | |||||
| 612 | S | 23.7 | Very low | 24.1 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | -70.6 | 164.3 | -178.2 | 41.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 613 | N | 24.2 | Very low | 24.2 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | 95.4 | 117.7 | 151.4 | -70.3 | -11.6 | 0 | 0 | 0 | 120 | ||||
| 614 | M | 24.5 | Very low | 24.4 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 82% | 0.823 | 81% | 0.806 | S | S | * | * | trans | 84 | 89.4 | 141.6 | -59.5 | -71.2 | -99.1 | 0 | 0 | 119.1 | ||||
| 615 | N | 24.5 | Very low | 24.7 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | 44.9 | 96.8 | 112.5 | -155.1 | 27.7 | 0 | 0 | 0 | 117.9 | |||||
| 616 | V | 26.8 | Very low | 24.9 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -149.9 | 138.2 | 144.2 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 617 | Q | 22 | Very low | 25.1 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -48.5 | 136.6 | -174.1 | -85.9 | 155 | -72 | 0 | 0 | 117.2 | ||||
| 618 | L | 20.1 | Very low | 25.7 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -44.5 | 119.9 | 156.5 | -165.1 | 76.8 | 0 | 0 | 0 | 113.1 | ||||
| 619 | S | 21.3 | Very low | 26.2 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | 172.7 | 96.4 | 139.2 | 44.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 620 | M | 22.9 | Very low | 27.3 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -153.3 | 118.9 | 148.7 | -86.1 | -48 | -145.4 | 0 | 0 | 109 | G622 | M620-G622 PolarHBondContact O-N 3.33Å; M620-G622 VanDerWaalsContact O-N 3.12Å | ||
| 621 | L | 22.8 | Very low | 28.8 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | trans | -52 | 107.6 | 169.4 | -92.6 | 60.3 | 0 | 0 | 0 | 109.8 | ||||
| 622 | G | 25.9 | Very low | 30.7 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | -116.1 | 114.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.2 | M620 | M620-G622 PolarHBondContact O-N 3.33Å; M620-G622 VanDerWaalsContact O-N 3.12Å | ||
| 623 | S | 27.2 | Very low | 32.9 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -40.2 | 127.9 | -174.8 | -45.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 624 | A | 27.9 | Very low | 35.1 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 72% | 0.719 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 135.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q626 | A624-Q626 PolarHBondContact O-N 3.19Š|
| 625 | P | 29.2 | Very low | 37.3 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 128.7 | 176.9 | 25.4 | -30.5 | 0 | 0 | 0 | 108.7 | ||
| 626 | Q | 26.8 | Very low | 39.9 | Very low | 184 Ų | 184 | 121.1 Ų | 121.1 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 127.5 | 179.8 | -66 | -172 | -0.4 | 0 | 0 | 109.3 | A624 L628 | A624-Q626 PolarHBondContact O-N 3.19Å; Q626-L628 PolarHBondContact O-N 3.46Å |
| 627 | P | 35 | Very low | 42.5 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 74% | 0.74 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 125.8 | 178.4 | 22.9 | -29.5 | 0 | 0 | 0 | 108.3 | T629 | P627-T629 PolarHBondContact O-N 3.39Š|
| 628 | L | 35.6 | Very low | 45.4 | Very low | 163 Ų | 163 | 114.8 Ų | 114.8 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | trans | -41.3 | 119.1 | 166.7 | -68.8 | 165 | 0 | 0 | 0 | 107.2 | Q626 T630 | Q626-L628 PolarHBondContact O-N 3.46Å; L628-T630 PolarHBondContact O-N 3.28Å | ||
| 629 | T | 35.8 | Very low | 48.6 | Very low | 140 Ų | 140 | 107.2 Ų | 107.2 | 86% | 0.859 | 62% | 0.618 | S | S | * | * | trans | -46.5 | 105.1 | -176.9 | 48.2 | 0 | 0 | 0 | 0 | 109.3 | P627 S631 | P627-T629 PolarHBondContact O-N 3.39Å; T629-S631 PolarHBondContact O-N 3.02Å | ||
| 630 | T | 46.4 | Very low | 51.9 | Low | 102 Ų | 102 | 105.2 Ų | 105.2 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | trans | -68.1 | 118.3 | -179.8 | 46 | 0 | 0 | 0 | 0 | 107.2 | L628 R632 | L628-T630 PolarHBondContact O-N 3.28Å; T630-R632 PolarHBondContact O-N 3.11Å | ||
| 631 | S | 55.7 | Low | 55.2 | Low | 48 Ų | 48 | 98.1 Ų | 98.1 | 34% | 0.336 | 57% | 0.566 | S | S | . | * | trans | -52.2 | 130.5 | 172 | 30.8 | 0 | 0 | 0 | 0 | 108.8 | E539 T629 L633 | E539-S631 VanDerWaalsContact CD-OG 3.27Å; E539-S631 WeakPolarHBondContact OE1-CB 3.35Å; E539-S631 PolarHBondContact OE1-OG 3.19Å; T629-S631 PolarHBondContact O-N 3.02Å; S631-L633 PolarHBondContact O-N 3.02Å | ||
| 632 | R | 65.7 | Low | 58.6 | Low | 234 Ų | 234 | 94 Ų | 94 | 88% | 0.883 | 54% | 0.542 | S | S | * | . | trans | -64.1 | 112.9 | -179.8 | -170.7 | -178.5 | -166.4 | -174.3 | 4.6 | 108.8 | T630 S634 | T630-R632 PolarHBondContact O-N 3.11Å; R632-S634 PolarHBondContact O-N 2.87Å | ||
| 633 | L | 70.4 | Confident | 61.9 | Low | 29 Ų | 29 | 91 Ų | 91 | 15% | 0.152 | 51% | 0.51 | C | S | . | . | trans | -57.7 | 128.3 | 173.9 | -66.3 | -179.8 | 0 | 0 | 0 | 110.1 | M538 S631 P636 H668 | M538-L633 HydrophobicContact CB-CD2 4.05Å; M538-L633 HydrophobicContact CE-CD1 4.16Å; M538-L633 HydrophobicContact CE-CD2 3.64Å; S631-L633 PolarHBondContact O-N 3.02Å; L633-P636 HydrophobicContact CB-CB 4.24Å; L633-P636 HydrophobicContact CD1-CB 4.3Å; L633-H668 HydrophobicContact CD1-CB 4.14Å; L633-H668 WeakPolarHBondContact CD2-CD2 3.29Å | ||
| 634 | S | 71 | Confident | 65.1 | Low | 41 Ų | 41 | 91.3 Ų | 91.3 | 29% | 0.287 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -75.3 | -29.6 | 176.1 | 75 | 0 | 0 | 0 | 0 | 112 | M538 R540 R632 | M538-S634 WeakPolarHBondContact O-CB 3.46Å; M538-S634 PolarHBondContact O-N 2.64Å; M538-S634 PolarHBondContact O-OG 2.71Å; R540-S634 WeakPolarHBondContact CG-OG 3.47Å; R540-S634 PolarHBondContact NH1-OG 2.85Å; R632-S634 PolarHBondContact O-N 2.87Å |
| 635 | N | 71.4 | Confident | 68.3 | Low | 38 Ų | 38 | 93.1 Ų | 93.1 | 20% | 0.203 | 49% | 0.485 | C | S | . | . | trans | -133.9 | 70.7 | 179.5 | -53.3 | -56.4 | 0 | 0 | 0 | 111 | L511 L537 R540 E637 L638 | L511-N635 WeakPolarHBondContact CD2-ND2 3.29Å; L537-N635 PolarHBondContact O-ND2 2.95Å; R540-N635 PolarHBondContact NH1-ND2 2.96Å; R540-N635 VanDerWaalsContact NH1-ND2 3.11Å; R540-N635 PolarHBondContact NH1-OD1 2.93Å; N635-E637 PolarHBondContact O-N 3.16Å; N635-L638 HydrophobicContact CB-CD1 3.82Å; N635-L638 HydrophobicContact CB-CG 4.12Å; N635-L638 PolarHBondContact O-N 2.89Å | ||
| 636 | P | 77.6 | Confident | 71.4 | Confident | 82 Ų | 82 | 87.5 Ų | 87.5 | 53% | 0.532 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -63.5 | -28.6 | -178.3 | 26.5 | -34.5 | 0 | 0 | 0 | 112.8 | L633 L638 L639 | L633-P636 HydrophobicContact CB-CB 4.24Å; L633-P636 HydrophobicContact CD1-CB 4.3Å; P636-L638 PolarHBondContact O-N 3.43Å; P636-L639 VanDerWaalsContact O-CB 3.24Å; P636-L639 WeakPolarHBondContact O-CB 3.41Å; P636-L639 PolarHBondContact O-N 2.9Å |
| 637 | E | 80.9 | Confident | 74.8 | Confident | 176 Ų | 176 | 81.2 Ų | 81.2 | 82% | 0.822 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -59.9 | -29.4 | 178.6 | -171.6 | 177.6 | 179.8 | 0 | 0 | 112.8 | N635 L639 | N635-E637 PolarHBondContact O-N 3.16Å; E637-L639 VanDerWaalsContact C-N 3.28Å; E637-L639 PolarHBondContact O-N 3.37Å |
| 638 | L | 84 | Confident | 77.7 | Confident | 16 Ų | 16 | 75.8 Ų | 75.8 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -74.4 | -17.7 | -178.6 | -66.3 | 179 | 0 | 0 | 0 | 113.5 | L511 L522 N635 P636 N640 T641 | L511-L638 HydrophobicContact CB-CD1 3.91Å; L522-L638 HydrophobicContact CD2-CB 4.13Å; N635-L638 HydrophobicContact CB-CD1 3.82Å; N635-L638 HydrophobicContact CB-CG 4.12Å; N635-L638 PolarHBondContact O-N 2.89Å; P636-L638 PolarHBondContact O-N 3.43Å; L638-N640 VanDerWaalsContact C-N 3.29Å; L638-N640 PolarHBondContact O-N 3.03Å; L638-T641 HydrophobicContact CD2-CG2 4.02Å; L638-T641 PolarHBondContact O-N 2.71Å; L638-T641 PolarHBondContact O-OG1 3.23Å |
| 639 | L | 87.2 | Confident | 80.5 | Confident | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -57.4 | -40 | -171.3 | -172.9 | 70.7 | 0 | 0 | 0 | 113.3 | M538 P636 E637 L649 L665 H668 A670 | M538-L639 HydrophobicContact CE-CD1 3.45Å; M538-L639 VanDerWaalsContact CE-CD1 3.45Å; P636-L639 VanDerWaalsContact O-CB 3.24Å; P636-L639 WeakPolarHBondContact O-CB 3.41Å; P636-L639 PolarHBondContact O-N 2.9Å; E637-L639 VanDerWaalsContact C-N 3.28Å; E637-L639 PolarHBondContact O-N 3.37Å; L639-L649 WeakPolarHBondContact O-CD1 3.38Å; L639-L665 HydrophobicContact CD1-CD2 3.97Å; L639-H668 HydrophobicContact CD1-CB 4.35Å; L639-H668 WeakPolarHBondContact CD2-O 3.5Å; L639-A670 HydrophobicContact CD1-CB 3.96Å; L639-A670 HydrophobicContact CD2-CB 4.27Å; L639-A670 HydrophobicContact CG-CB 3.97Å |
| 640 | N | 91.2 | Very high | 83.4 | Confident | 59 Ų | 59 | 61.5 Ų | 61.5 | 32% | 0.316 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -110.6 | 15.6 | -175.6 | -65.1 | -27.8 | 0 | 0 | 0 | 112.5 | L638 D671 I674 | L638-N640 VanDerWaalsContact C-N 3.29Å; L638-N640 PolarHBondContact O-N 3.03Å; N640-D671 PolarHBondContact OD1-N 3.31Å; N640-I674 HydrophobicContact CB-CD1 3.78Å |
| 641 | T | 91.4 | Very high | 85.9 | Confident | 38 Ų | 38 | 57.3 Ų | 57.3 | 23% | 0.233 | 27% | 0.274 | C | S | . | . | trans | -62.8 | 146.6 | 174.1 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | H523 L638 T648 | H523-T641 PolarHBondContact CE1-OG1 3.49Å; H523-T641 VanDerWaalsContact CE1-OG1 3.24Å; H523-T641 PolarHBondContact NE2-O 3.2Å; L638-T641 HydrophobicContact CD2-CG2 4.02Å; L638-T641 PolarHBondContact O-N 2.71Å; L638-T641 PolarHBondContact O-OG1 3.23Å; T641-T648 WeakPolarHBondContact O-CA 3.26Å | ||
| 642 | Q | 94.5 | Very high | 87.8 | Confident | 96 Ų | 96 | 55 Ų | 55 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -120 | 142.4 | -178.8 | -68.5 | 175.8 | 41.4 | 0 | 0 | 109.8 | G646 R647 T648 I674 | Q642-G646 VanDerWaalsContact OE1-CA 3.25Å; Q642-G646 PolarHBondContact OE1-O 3.3Å; Q642-R647 WeakPolarHBondContact CA-O 3.34Å; Q642-T648 HydrophobicContact CG-CG2 3.78Å; Q642-I674 HydrophobicContact CG-CG2 4.08Å |
| 643 | D | 94.2 | Very high | 89.3 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | trans | -77.7 | -175.7 | 170.2 | 75.4 | 2.9 | 0 | 0 | 0 | 112.8 | G518 M519 Y645 G646 R647 | G518-D643 WeakPolarHBondContact O-CA 2.94Å; M519-D643 HydrophobicContact CG-CB 3.86Å; D643-Y645 PolarHBondContact O-N 2.97Å; D643-Y645 WeakPolarHBondContact OD1-CA 3.19Å; D643-Y645 WeakPolarHBondContact OD1-CB 3.19Å; D643-Y645 PolarHBondContact OD1-N 3.11Å; D643-G646 PolarHBondContact O-N 3.42Å; D643-G646 PolarHBondContact OD1-N 3.01Å; D643-G646 VanDerWaalsContact OD1-N 3.16Å; D643-R647 PolarHBondContact N-O 3.02Å; D643-R647 VanDerWaalsContact N-O 3.11Å; D643-R647 WeakPolarHBondContact OD1-CB 3.45Å; D643-R647 PolarHBondContact OD1-N 2.9Å; D643-R647 IonicContact OD1-NE 3.52Å; D643-R647 IonicContact OD2-CZ 3.65Å; D643-R647 IonicContact OD2-NE 3.85Å; D643-R647 PolarHBondContact OD2-NE 3.16Å; D643-R647 IonicContact OD2-NH2 2.68Å; D643-R647 PolarHBondContact OD2-NH2 3.48Å | ||
| 644 | K | 95.2 | Very high | 90.6 | Very high | 129 Ų | 129 | 42.5 Ų | 42.5 | 56% | 0.561 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.1 | 179.4 | -173.3 | 176.2 | -178.7 | 178.6 | 0 | 113.6 | V517 K677 | V517-K644 WeakPolarHBondContact O-CB 3.24Å; V517-K644 PolarHBondContact O-N 3.43Å; K644-K677 WeakPolarHBondContact O-CD 3.37Å; K644-K677 WeakPolarHBondContact O-CE 3.46Å; K644-K677 PolarHBondContact O-NZ 3.25Å |
| 645 | Y | 95.1 | Very high | 91.7 | Very high | 124 Ų | 124 | 41.9 Ų | 41.9 | 49% | 0.486 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 4.3 | 177.3 | -57.4 | -71.9 | 0 | 0 | 0 | 112.8 | V517 D643 R647 N676 K677 | V517-Y645 HydrophobicContact CG1-CD2 3.93Å; V517-Y645 HydrophobicContact CG1-CE2 3.46Å; V517-Y645 VanDerWaalsContact CG1-CE2 3.46Å; D643-Y645 PolarHBondContact O-N 2.97Å; D643-Y645 WeakPolarHBondContact OD1-CA 3.19Å; D643-Y645 WeakPolarHBondContact OD1-CB 3.19Å; D643-Y645 PolarHBondContact OD1-N 3.11Å; Y645-R647 VanDerWaalsContact C-N 3.29Å; Y645-N676 WeakPolarHBondContact O-CB 3.47Å; Y645-K677 WeakPolarHBondContact O-CB 3.43Å; Y645-K677 WeakPolarHBondContact O-CG 3.46Å; Y645-K677 PolarHBondContact O-N 3.09Å |
| 646 | G | 95 | Very high | 92.9 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | trans | 78.3 | 11.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q642 D643 N676 | Q642-G646 VanDerWaalsContact OE1-CA 3.25Å; Q642-G646 PolarHBondContact OE1-O 3.3Å; D643-G646 PolarHBondContact O-N 3.42Å; D643-G646 PolarHBondContact OD1-N 3.01Å; D643-G646 VanDerWaalsContact OD1-N 3.16Å; G646-N676 WeakPolarHBondContact O-CA 3.4Å | ||
| 647 | R | 96.7 | Very high | 93.8 | Very high | 52 Ų | 52 | 39.8 Ų | 39.8 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | trans | -82.6 | 124.3 | -175.4 | -58.3 | 176.2 | -62.4 | 179.2 | 7.6 | 109.1 | Q642 D643 Y645 Y651 L652 N676 | Q642-R647 WeakPolarHBondContact CA-O 3.34Å; D643-R647 PolarHBondContact N-O 3.02Å; D643-R647 VanDerWaalsContact N-O 3.11Å; D643-R647 WeakPolarHBondContact OD1-CB 3.45Å; D643-R647 PolarHBondContact OD1-N 2.9Å; D643-R647 IonicContact OD1-NE 3.52Å; D643-R647 IonicContact OD2-CZ 3.65Å; D643-R647 IonicContact OD2-NE 3.85Å; D643-R647 PolarHBondContact OD2-NE 3.16Å; D643-R647 IonicContact OD2-NH2 2.68Å; D643-R647 PolarHBondContact OD2-NH2 3.48Å; Y645-R647 VanDerWaalsContact C-N 3.29Å; R647-Y651 HydrophobicContact CB-CD1 3.68Å; R647-Y651 HydrophobicContact CB-CE1 4.26Å; R647-Y651 HydrophobicContact CB-CG 4.24Å; R647-Y651 HydrophobicContact CG-CD1 3.62Å; R647-Y651 HydrophobicContact CG-CE1 3.67Å; R647-Y651 HydrophobicContact CG-CG 4.41Å; R647-L652 HydrophobicContact CB-CD2 4.04Å; R647-L652 HydrophobicContact CB-CG 4.27Å; R647-N676 HydrophobicContact CG-CB 4.11Å | ||
| 648 | T | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -80.6 | 169.8 | 172.6 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | T641 Q642 I650 Y651 L652 I674 | T641-T648 WeakPolarHBondContact O-CA 3.26Å; Q642-T648 HydrophobicContact CG-CG2 3.78Å; T648-I650 VanDerWaalsContact C-N 3.31Å; T648-I650 PolarHBondContact O-N 3.17Å; T648-I650 WeakPolarHBondContact OG1-CG2 3.43Å; T648-Y651 WeakPolarHBondContact O-CB 2.94Å; T648-Y651 PolarHBondContact O-N 3.05Å; T648-Y651 WeakPolarHBondContact OG1-CB 3.49Å; T648-Y651 PolarHBondContact OG1-N 2.92Å; T648-L652 PolarHBondContact O-N 3.5Å; T648-I674 HydrophobicContact CG2-CB 3.78Å; T648-I674 HydrophobicContact CG2-CD1 4.22Å; T648-I674 HydrophobicContact CG2-CG2 3.43Å; T648-I674 VanDerWaalsContact CG2-CG2 3.43Å |
| 649 | L | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -53.8 | -47.7 | 174 | -58.4 | -179.9 | 0 | 0 | 0 | 112.3 | L522 H523 L639 Y651 L652 A653 L665 | L522-L649 HydrophobicContact CB-CD2 4.17Å; L522-L649 HydrophobicContact CD2-CD1 3.39Å; L522-L649 HydrophobicContact CD2-CD2 4.32Å; L522-L649 HydrophobicContact CD2-CG 4.5Å; L522-L649 HydrophobicContact CG-CD1 3.72Å; L522-L649 HydrophobicContact CG-CD2 3.86Å; L522-L649 HydrophobicContact CG-CG 4.45Å; H523-L649 HydrophobicContact CB-CD2 4.25Å; L639-L649 WeakPolarHBondContact O-CD1 3.38Å; L649-Y651 VanDerWaalsContact C-N 3.34Å; L649-Y651 PolarHBondContact O-N 3.39Å; L649-L652 PolarHBondContact O-N 3.12Å; L649-A653 PolarHBondContact O-N 3.5Å; L649-L665 HydrophobicContact CB-CD1 3.9Å; L649-L665 HydrophobicContact CB-CD2 4.37Å; L649-L665 HydrophobicContact CD1-CD2 4.25Å |
| 650 | I | 96.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.3 | -36.1 | -179.9 | -168.8 | 164.2 | 0 | 0 | 0 | 111.6 | T648 A653 A654 V662 L665 L666 I672 P682 L698 | T648-I650 VanDerWaalsContact C-N 3.31Å; T648-I650 PolarHBondContact O-N 3.17Å; T648-I650 WeakPolarHBondContact OG1-CG2 3.43Å; I650-A653 PolarHBondContact O-N 3.07Å; I650-A654 WeakPolarHBondContact O-CB 3.33Å; I650-A654 PolarHBondContact O-N 3.39Å; I650-V662 HydrophobicContact CD1-CG1 4.2Å; I650-V662 HydrophobicContact CG1-CG1 4.21Å; I650-L665 HydrophobicContact CB-CD1 4.1Å; I650-L666 HydrophobicContact CD1-CD2 3.53Å; I650-L666 HydrophobicContact CD1-CG 3.79Å; I650-I672 HydrophobicContact CD1-CG2 4.03Å; I650-P682 HydrophobicContact CG2-CG 3.89Å; I650-L698 HydrophobicContact CD1-CD2 3.84Å; I650-L698 HydrophobicContact CG1-CD2 4.42Å |
| 651 | Y | 97.2 | Very high | 95.8 | Very high | 14 Ų | 14 | 37.7 Ų | 37.7 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 173.6 | -177.1 | -78.9 | 0 | 0 | 0 | 111.3 | R647 T648 L649 A654 C655 N676 K680 I685 | R647-Y651 HydrophobicContact CB-CD1 3.68Å; R647-Y651 HydrophobicContact CB-CE1 4.26Å; R647-Y651 HydrophobicContact CB-CG 4.24Å; R647-Y651 HydrophobicContact CG-CD1 3.62Å; R647-Y651 HydrophobicContact CG-CE1 3.67Å; R647-Y651 HydrophobicContact CG-CG 4.41Å; T648-Y651 WeakPolarHBondContact O-CB 2.94Å; T648-Y651 PolarHBondContact O-N 3.05Å; T648-Y651 WeakPolarHBondContact OG1-CB 3.49Å; T648-Y651 PolarHBondContact OG1-N 2.92Å; L649-Y651 VanDerWaalsContact C-N 3.34Å; L649-Y651 PolarHBondContact O-N 3.39Å; Y651-A654 PolarHBondContact O-N 2.92Å; Y651-C655 HydrophobicContact CE1-CB 4.39Å; Y651-C655 WeakPolarHBondContact O-CB 3.37Å; Y651-C655 PolarHBondContact O-N 3.41Å; Y651-N676 HydrophobicContact CE2-CB 4.3Å; Y651-N676 PolarHBondContact OH-ND2 2.85Å; Y651-K680 HydrophobicContact CE2-CB 4.11Å; Y651-K680 WeakPolarHBondContact CE2-O 3.05Å; Y651-I685 HydrophobicContact CD2-CG2 4.16Å; Y651-I685 HydrophobicContact CE1-CG1 4.47Å; Y651-I685 HydrophobicContact CE2-CB 4.01Å; Y651-I685 HydrophobicContact CE2-CG1 4.5Å; Y651-I685 HydrophobicContact CE2-CG2 4Å |
| 652 | L | 96.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.9 | -43.1 | 179.6 | -68.5 | 178.7 | 0 | 0 | 0 | 112.2 | M519 H523 Y527 R647 T648 L649 C655 R656 | M519-L652 HydrophobicContact SD-CD1 4.37Å; H523-L652 HydrophobicContact CB-CD1 3.73Å; Y527-L652 HydrophobicContact CD2-CD2 4.28Å; R647-L652 HydrophobicContact CB-CD2 4.04Å; R647-L652 HydrophobicContact CB-CG 4.27Å; T648-L652 PolarHBondContact O-N 3.5Å; L649-L652 PolarHBondContact O-N 3.12Å; L652-C655 PolarHBondContact O-N 3.41Å; L652-R656 PolarHBondContact O-N 2.98Å; L652-R656 VanDerWaalsContact O-N 3.14Å |
| 653 | A | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C526 L649 I650 R656 G657 H658 V661 V662 | C526-A653 HydrophobicContact CB-CB 4.45Å; L649-A653 PolarHBondContact O-N 3.5Å; I650-A653 PolarHBondContact O-N 3.07Å; A653-R656 CarbonylContact O-C 3.42Å; A653-R656 PolarHBondContact O-N 3.32Å; A653-G657 PolarHBondContact O-N 3.03Å; A653-H658 HydrophobicContact CB-CB 4.44Å; A653-H658 PolarHBondContact O-N 2.85Å; A653-V661 HydrophobicContact CB-CB 4.15Å; A653-V661 HydrophobicContact CB-CG1 3.77Å; A653-V662 HydrophobicContact CB-CG2 3.74Å |
| 654 | A | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I650 Y651 R656 G657 V662 I685 Y691 I694 | I650-A654 WeakPolarHBondContact O-CB 3.33Å; I650-A654 PolarHBondContact O-N 3.39Å; Y651-A654 PolarHBondContact O-N 2.92Å; A654-R656 PolarHBondContact O-N 2.92Å; A654-G657 PolarHBondContact O-N 3.3Å; A654-V662 HydrophobicContact CB-CG2 4.25Å; A654-I685 HydrophobicContact CB-CG2 4Å; A654-Y691 WeakPolarHBondContact O-CD2 3.43Å; A654-Y691 VanDerWaalsContact O-CE2 3.22Å; A654-Y691 WeakPolarHBondContact O-CE2 3.32Å; A654-I694 HydrophobicContact CB-CG2 3.83Å |
| 655 | C | 95.5 | Very high | 96.2 | Very high | 27 Ų | 27 | 28.8 Ų | 28.8 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.5 | -33.4 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | Y651 L652 I685 | Y651-C655 HydrophobicContact CE1-CB 4.39Å; Y651-C655 WeakPolarHBondContact O-CB 3.37Å; Y651-C655 PolarHBondContact O-N 3.41Å; L652-C655 PolarHBondContact O-N 3.41Å; C655-I685 HydrophobicContact CB-CG1 3.88Å; C655-I685 HydrophobicContact CB-CG2 4.36Å |
| 656 | R | 95.9 | Very high | 96.1 | Very high | 52 Ų | 52 | 23.3 Ų | 23.3 | 20% | 0.196 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -98.3 | 1.7 | -177.5 | -71.9 | -64.9 | -162.9 | 86.7 | 132.7 | 115.2 | Y527 L652 A653 A654 H658 | Y527-R656 HydrophobicContact CD2-CG 3.76Å; Y527-R656 HydrophobicContact CE2-CG 3.91Å; Y527-R656 VanDerWaalsContact CE2-NE 3.33Å; Y527-R656 HydrophobicContact CG-CG 4.43Å; Y527-R656 WeakPolarHBondContact O-CG 3.03Å; Y527-R656 PolarHBondContact O-NH2 3.35Å; Y527-R656 PolarHBondContact OH-NE 2.98Å; Y527-R656 PolarHBondContact OH-NH1 3.47Å; L652-R656 PolarHBondContact O-N 2.98Å; L652-R656 VanDerWaalsContact O-N 3.14Å; A653-R656 CarbonylContact O-C 3.42Å; A653-R656 PolarHBondContact O-N 3.32Å; A654-R656 PolarHBondContact O-N 2.92Å; R656-H658 VanDerWaalsContact CB-CD2 3.47Å; R656-H658 WeakPolarHBondContact CB-CD2 3.48Å; R656-H658 WeakPolarHBondContact CB-NE2 3.26Å |
| 657 | G | 95.7 | Very high | 96 | Very high | 24 Ų | 24 | 27 Ų | 27 | 25% | 0.247 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 17.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A653 A654 S659 Y691 I694 | A653-G657 PolarHBondContact O-N 3.03Å; A654-G657 PolarHBondContact O-N 3.3Å; G657-S659 PolarHBondContact O-N 3.01Å; G657-S659 VanDerWaalsContact O-N 3.08Å; G657-Y691 VanDerWaalsContact CA-CE2 3.47Å; G657-Y691 VanDerWaalsContact N-CE2 3.35Å; G657-I694 VanDerWaalsContact C-CD1 3.42Å; G657-I694 VanDerWaalsContact CA-CD1 3.5Å |
| 658 | H | 97.5 | Very high | 95.6 | Very high | 50 Ų | 50 | 25.6 Ų | 25.6 | 23% | 0.231 | 14% | 0.14 | C | C | . | . | trans | -86 | 77.7 | -175.7 | -60.8 | -50.8 | 0 | 0 | 0 | 111.8 | C526 Y527 V528 G529 A653 R656 E660 V661 V662 | C526-H658 PolarHBondContact O-CD2 3.32Å; C526-H658 VanDerWaalsContact O-CD2 3.31Å; Y527-H658 PolarHBondContact O-NE2 2.87Å; Y527-H658 VanDerWaalsContact O-NE2 3.16Å; V528-H658 PolarHBondContact O-CE1 3.29Å; V528-H658 VanDerWaalsContact O-CE1 3.24Å; V528-H658 PolarHBondContact O-NE2 3.44Å; G529-H658 WeakPolarHBondContact CA-CD2 3.43Å; G529-H658 WeakPolarHBondContact CA-NE2 3.3Å; G529-H658 PolarHBondContact N-CD2 2.96Å; G529-H658 PolarHBondContact N-NE2 3.29Å; A653-H658 HydrophobicContact CB-CB 4.44Å; A653-H658 PolarHBondContact O-N 2.85Å; R656-H658 VanDerWaalsContact CB-CD2 3.47Å; R656-H658 WeakPolarHBondContact CB-CD2 3.48Å; R656-H658 WeakPolarHBondContact CB-NE2 3.26Å; H658-E660 PolarHBondContact O-N 3.45Å; H658-V661 HydrophobicContact CB-CB 4.04Å; H658-V661 HydrophobicContact CB-CG2 4.13Å; H658-V661 PolarHBondContact O-N 2.86Å; H658-V661 VanDerWaalsContact O-N 3.16Å; H658-V662 WeakPolarHBondContact O-CG2 3.22Å; H658-V662 PolarHBondContact O-N 3Å | ||
| 659 | S | 97.2 | Very high | 95.2 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 27% | 0.266 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.2 | -42 | -175 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | G657 V661 V662 N663 | G657-S659 PolarHBondContact O-N 3.01Å; G657-S659 VanDerWaalsContact O-N 3.08Å; S659-V661 VanDerWaalsContact C-N 3.34Å; S659-V661 PolarHBondContact O-N 2.68Å; S659-V662 PolarHBondContact O-N 3.49Å; S659-N663 WeakPolarHBondContact O-CB 3.47Å; S659-N663 PolarHBondContact O-N 3.46Å; S659-N663 PolarHBondContact O-ND2 3.11Å |
| 660 | E | 96.1 | Very high | 95 | Very high | 129 Ų | 129 | 30.8 Ų | 30.8 | 60% | 0.603 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -62.3 | -40.2 | 177.7 | -63 | -174.9 | 175.9 | 0 | 0 | 112.5 | L531 H658 Y664 | L531-E660 HydrophobicContact CD2-CB 4.23Å; H658-E660 PolarHBondContact O-N 3.45Å; E660-Y664 VanDerWaalsContact O-CB 3.31Å; E660-Y664 WeakPolarHBondContact O-CB 3.33Å; E660-Y664 PolarHBondContact O-N 3.21Å |
| 661 | V | 96.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.9 | -41.2 | 177.3 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | C526 L531 V534 A653 H658 S659 Y664 L665 | C526-V661 HydrophobicContact CB-CG1 4.27Å; L531-V661 HydrophobicContact CB-CG2 4.39Å; L531-V661 HydrophobicContact CD1-CG2 4.48Å; V534-V661 HydrophobicContact CG2-CG1 4.2Å; A653-V661 HydrophobicContact CB-CB 4.15Å; A653-V661 HydrophobicContact CB-CG1 3.77Å; H658-V661 HydrophobicContact CB-CB 4.04Å; H658-V661 HydrophobicContact CB-CG2 4.13Å; H658-V661 PolarHBondContact O-N 2.86Å; H658-V661 VanDerWaalsContact O-N 3.16Å; S659-V661 VanDerWaalsContact C-N 3.34Å; S659-V661 PolarHBondContact O-N 2.68Å; V661-Y664 PolarHBondContact O-N 3.31Å; V661-L665 HydrophobicContact CG1-CD1 4.05Å; V661-L665 HydrophobicContact CG1-CG 4.41Å; V661-L665 VanDerWaalsContact O-CG 3.28Å; V661-L665 WeakPolarHBondContact O-CG 3.28Å; V661-L665 PolarHBondContact O-N 2.97Å |
| 662 | V | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -50.8 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | I650 A653 A654 H658 S659 Y664 L665 L666 I694 | I650-V662 HydrophobicContact CD1-CG1 4.2Å; I650-V662 HydrophobicContact CG1-CG1 4.21Å; A653-V662 HydrophobicContact CB-CG2 3.74Å; A654-V662 HydrophobicContact CB-CG2 4.25Å; H658-V662 WeakPolarHBondContact O-CG2 3.22Å; H658-V662 PolarHBondContact O-N 3Å; S659-V662 PolarHBondContact O-N 3.49Å; V662-Y664 VanDerWaalsContact C-N 3.31Å; V662-Y664 PolarHBondContact O-N 3.44Å; V662-L665 PolarHBondContact O-N 3.34Å; V662-L666 HydrophobicContact CG1-CD1 3.77Å; V662-L666 HydrophobicContact CG1-CG 4.29Å; V662-L666 VanDerWaalsContact O-CG 3.29Å; V662-L666 WeakPolarHBondContact O-CG 3.48Å; V662-L666 PolarHBondContact O-N 2.99Å; V662-I694 HydrophobicContact CB-CG1 4.41Å; V662-I694 HydrophobicContact CG1-CG2 4.28Å; V662-I694 HydrophobicContact CG2-CD1 4.3Å; V662-I694 HydrophobicContact CG2-CG1 4.14Å; V662-I694 HydrophobicContact CG2-CG2 4.22Å |
| 663 | N | 96.1 | Very high | 94.6 | Very high | 69 Ų | 69 | 37.4 Ų | 37.4 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 178.6 | -73 | -31.4 | 0 | 0 | 0 | 111.7 | S659 L665 L666 C667 A697 | S659-N663 WeakPolarHBondContact O-CB 3.47Å; S659-N663 PolarHBondContact O-N 3.46Å; S659-N663 PolarHBondContact O-ND2 3.11Å; N663-L665 PolarHBondContact O-N 3.37Å; N663-L666 PolarHBondContact O-N 3.27Å; N663-C667 PolarHBondContact O-N 3.27Å; N663-C667 PolarHBondContact O-SG 2.92Å; N663-A697 WeakPolarHBondContact OD1-CB 3.13Å |
| 664 | Y | 94.3 | Very high | 94.5 | Very high | 17 Ų | 17 | 38.9 Ų | 38.9 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 176.5 | 178.2 | -92.6 | 0 | 0 | 0 | 112.6 | L531 V534 R535 M538 E539 E660 V661 V662 C667 H668 | L531-Y664 HydrophobicContact CD1-CD1 4.44Å; L531-Y664 HydrophobicContact CD1-CD2 4.16Å; L531-Y664 HydrophobicContact CD1-CG 3.84Å; V534-Y664 HydrophobicContact CG1-CD1 3.86Å; V534-Y664 HydrophobicContact CG1-CE1 3.84Å; R535-Y664 HydrophobicContact CG-CD2 4.04Å; R535-Y664 HydrophobicContact CG-CE1 4.31Å; R535-Y664 HydrophobicContact CG-CE2 3.43Å; R535-Y664 VanDerWaalsContact CG-CE2 3.43Å; M538-Y664 HydrophobicContact CE-CE1 4.35Å; M538-Y664 HydrophobicContact SD-CD1 4.46Å; M538-Y664 HydrophobicContact SD-CE1 3.71Å; E539-Y664 WeakPolarHBondContact CG-OH 3.4Å; E539-Y664 PolarHBondContact OE1-OH 2.85Å; E660-Y664 VanDerWaalsContact O-CB 3.31Å; E660-Y664 WeakPolarHBondContact O-CB 3.33Å; E660-Y664 PolarHBondContact O-N 3.21Å; V661-Y664 PolarHBondContact O-N 3.31Å; V662-Y664 VanDerWaalsContact C-N 3.31Å; V662-Y664 PolarHBondContact O-N 3.44Å; Y664-C667 PolarHBondContact O-N 3.01Å; Y664-H668 AromaticContact CD2-CE1 3.93Å; Y664-H668 AromaticContact CE1-CE1 3.93Å; Y664-H668 AromaticContact CE1-ND1 3.75Å; Y664-H668 AromaticContact CE2-CE1 3.33Å; Y664-H668 WeakPolarHBondContact CE2-CE1 3.16Å; Y664-H668 AromaticContact CE2-ND1 3.81Å; Y664-H668 AromaticContact CZ-CE1 3.32Å; Y664-H668 AromaticContact CZ-ND1 3.63Å; Y664-H668 PolarHBondContact O-N 3.08Å; Y664-H668 PolarHBondContact O-ND1 3.47Å |
| 665 | L | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -38.4 | 176.5 | -69.3 | 171.7 | 0 | 0 | 0 | 111.7 | M538 L639 L649 I650 V661 V662 N663 H668 S669 A670 | M538-L665 HydrophobicContact CE-CD2 4.22Å; M538-L665 HydrophobicContact SD-CD2 3.86Å; L639-L665 HydrophobicContact CD1-CD2 3.97Å; L649-L665 HydrophobicContact CB-CD1 3.9Å; L649-L665 HydrophobicContact CB-CD2 4.37Å; L649-L665 HydrophobicContact CD1-CD2 4.25Å; I650-L665 HydrophobicContact CB-CD1 4.1Å; V661-L665 HydrophobicContact CG1-CD1 4.05Å; V661-L665 HydrophobicContact CG1-CG 4.41Å; V661-L665 VanDerWaalsContact O-CG 3.28Å; V661-L665 WeakPolarHBondContact O-CG 3.28Å; V661-L665 PolarHBondContact O-N 2.97Å; V662-L665 PolarHBondContact O-N 3.34Å; N663-L665 PolarHBondContact O-N 3.37Å; L665-H668 CarbonylContact O-C 3.57Å; L665-H668 PolarHBondContact O-N 3.49Å; L665-H668 VanDerWaalsContact O-N 3.13Å; L665-S669 PolarHBondContact O-N 2.84Å; L665-A670 HydrophobicContact CB-CB 3.94Å; L665-A670 VanDerWaalsContact O-CB 3.24Å; L665-A670 WeakPolarHBondContact O-CB 3.46Å; L665-A670 PolarHBondContact O-N 3.39Å |
| 666 | L | 94 | Very high | 94.4 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.8 | -40.1 | 175.7 | -70.8 | 172 | 0 | 0 | 0 | 112.4 | I650 V662 N663 H668 S669 I672 A697 L698 H701 | I650-L666 HydrophobicContact CD1-CD2 3.53Å; I650-L666 HydrophobicContact CD1-CG 3.79Å; V662-L666 HydrophobicContact CG1-CD1 3.77Å; V662-L666 HydrophobicContact CG1-CG 4.29Å; V662-L666 VanDerWaalsContact O-CG 3.29Å; V662-L666 WeakPolarHBondContact O-CG 3.48Å; V662-L666 PolarHBondContact O-N 2.99Å; N663-L666 PolarHBondContact O-N 3.27Å; L666-H668 PolarHBondContact O-N 3.44Å; L666-H668 VanDerWaalsContact O-N 3.17Å; L666-S669 PolarHBondContact O-N 3.46Å; L666-S669 VanDerWaalsContact O-N 3.08Å; L666-I672 HydrophobicContact CD2-CG2 3.31Å; L666-A697 HydrophobicContact CD1-CB 3.98Å; L666-L698 HydrophobicContact CD1-CD2 4.48Å; L666-L698 HydrophobicContact CD2-CD2 4.35Å; L666-H701 HydrophobicContact CD2-CB 4.06Å |
| 667 | C | 92 | Very high | 94.4 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 55% | 0.554 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.6 | -21.3 | 173.4 | -68.8 | 0 | 0 | 0 | 0 | 113.2 | N663 Y664 | N663-C667 PolarHBondContact O-N 3.27Å; N663-C667 PolarHBondContact O-SG 2.92Å; Y664-C667 PolarHBondContact O-N 3.01Å |
| 668 | H | 89.4 | Confident | 94.4 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 10% | 0.102 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 15.3 | 178.5 | -74 | 96.4 | 0 | 0 | 0 | 113.3 | M538 L633 L639 Y664 L665 L666 A670 | M538-H668 HydrophobicContact CE-CB 4.43Å; L633-H668 HydrophobicContact CD1-CB 4.14Å; L633-H668 WeakPolarHBondContact CD2-CD2 3.29Å; L639-H668 HydrophobicContact CD1-CB 4.35Å; L639-H668 WeakPolarHBondContact CD2-O 3.5Å; Y664-H668 AromaticContact CD2-CE1 3.93Å; Y664-H668 AromaticContact CE1-CE1 3.93Å; Y664-H668 AromaticContact CE1-ND1 3.75Å; Y664-H668 AromaticContact CE2-CE1 3.33Å; Y664-H668 WeakPolarHBondContact CE2-CE1 3.16Å; Y664-H668 AromaticContact CE2-ND1 3.81Å; Y664-H668 AromaticContact CZ-CE1 3.32Å; Y664-H668 AromaticContact CZ-ND1 3.63Å; Y664-H668 PolarHBondContact O-N 3.08Å; Y664-H668 PolarHBondContact O-ND1 3.47Å; L665-H668 CarbonylContact O-C 3.57Å; L665-H668 PolarHBondContact O-N 3.49Å; L665-H668 VanDerWaalsContact O-N 3.13Å; L666-H668 PolarHBondContact O-N 3.44Å; L666-H668 VanDerWaalsContact O-N 3.17Å; H668-A670 PolarHBondContact O-N 3.35Å |
| 669 | S | 87.5 | Confident | 94.3 | Very high | 101 Ų | 101 | 48.8 Ų | 48.8 | 71% | 0.706 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 38 | 178.4 | -53 | 0 | 0 | 0 | 0 | 114 | L665 L666 D671 | L665-S669 PolarHBondContact O-N 2.84Å; L666-S669 PolarHBondContact O-N 3.46Å; L666-S669 VanDerWaalsContact O-N 3.08Å; S669-D671 PolarHBondContact O-N 3.36Å |
| 670 | A | 91.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 49 Ų | 49 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | trans | -60.3 | 134.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | L639 L665 H668 I672 | L639-A670 HydrophobicContact CD1-CB 3.96Å; L639-A670 HydrophobicContact CD2-CB 4.27Å; L639-A670 HydrophobicContact CG-CB 3.97Å; L665-A670 HydrophobicContact CB-CB 3.94Å; L665-A670 VanDerWaalsContact O-CB 3.24Å; L665-A670 WeakPolarHBondContact O-CB 3.46Å; L665-A670 PolarHBondContact O-N 3.39Å; H668-A670 PolarHBondContact O-N 3.35Å; A670-I672 PolarHBondContact O-N 3.44Å | ||
| 671 | D | 93.5 | Very high | 94.4 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 32% | 0.321 | 23% | 0.23 | S | C | . | . | trans | -73.6 | 112.3 | -178.3 | -171.6 | -12.1 | 0 | 0 | 0 | 110.3 | N640 S669 H673 I674 | N640-D671 PolarHBondContact OD1-N 3.31Å; S669-D671 PolarHBondContact O-N 3.36Å; D671-H673 VanDerWaalsContact C-N 3.32Å; D671-H673 WeakPolarHBondContact OD1-CB 3.32Å; D671-H673 IonicContact OD1-CD2 3.5Å; D671-H673 IonicContact OD1-CG 2.68Å; D671-H673 PolarHBondContact OD1-N 3.47Å; D671-I674 HydrophobicContact CB-CD1 3.77Å; D671-I674 HydrophobicContact CB-CG1 3.97Å; D671-I674 WeakPolarHBondContact OD2-CG1 3.44Å | ||
| 672 | I | 94.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -79.4 | -13.4 | -179.7 | 62.2 | -177.2 | 0 | 0 | 0 | 113.3 | I650 L666 A670 P682 L698 H701 A703 | I650-I672 HydrophobicContact CD1-CG2 4.03Å; L666-I672 HydrophobicContact CD2-CG2 3.31Å; A670-I672 PolarHBondContact O-N 3.44Å; I672-P682 WeakPolarHBondContact O-CD 3.16Å; I672-L698 HydrophobicContact CG2-CD2 4.01Å; I672-H701 HydrophobicContact CD1-CB 4.3Å; I672-H701 WeakPolarHBondContact CD1-O 3.27Å; I672-A703 HydrophobicContact CD1-CB 4.05Å; I672-A703 VanDerWaalsContact CD1-N 3.33Å |
| 673 | H | 93.4 | Very high | 94.4 | Very high | 82 Ų | 82 | 43.1 Ų | 43.1 | 38% | 0.38 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -91 | -13.3 | -175 | -59.3 | -62.5 | 0 | 0 | 0 | 113.2 | D671 T675 G702 | D671-H673 VanDerWaalsContact C-N 3.32Å; D671-H673 WeakPolarHBondContact OD1-CB 3.32Å; D671-H673 IonicContact OD1-CD2 3.5Å; D671-H673 IonicContact OD1-CG 2.68Å; D671-H673 PolarHBondContact OD1-N 3.47Å; H673-T675 PolarHBondContact O-N 3Å; H673-G702 PolarHBondContact CE1-O 3.48Å |
| 674 | I | 94.5 | Very high | 94.5 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 16% | 0.159 | 21% | 0.214 | C | C | . | . | trans | -68.7 | 117.5 | 176.1 | -59.9 | 175.3 | 0 | 0 | 0 | 109.7 | N640 Q642 T648 D671 | N640-I674 HydrophobicContact CB-CD1 3.78Å; Q642-I674 HydrophobicContact CG-CG2 4.08Å; T648-I674 HydrophobicContact CG2-CB 3.78Å; T648-I674 HydrophobicContact CG2-CD1 4.22Å; T648-I674 HydrophobicContact CG2-CG2 3.43Å; T648-I674 VanDerWaalsContact CG2-CG2 3.43Å; D671-I674 HydrophobicContact CB-CD1 3.77Å; D671-I674 HydrophobicContact CB-CG1 3.97Å; D671-I674 WeakPolarHBondContact OD2-CG1 3.44Å | ||
| 675 | T | 95.4 | Very high | 94.7 | Very high | 32 Ų | 32 | 40 Ų | 40 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | trans | -96.7 | 156.2 | 176.5 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | H673 K680 Q707 | H673-T675 PolarHBondContact O-N 3Å; T675-K680 WeakPolarHBondContact CA-O 3.39Å; T675-Q707 HydrophobicContact CG2-CG 3.94Å | ||
| 676 | N | 95.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | trans | -70.1 | -179.7 | 171.2 | 81.2 | -4.6 | 0 | 0 | 0 | 112.5 | Y645 G646 R647 Y651 E678 N679 K680 | Y645-N676 WeakPolarHBondContact O-CB 3.47Å; G646-N676 WeakPolarHBondContact O-CA 3.4Å; R647-N676 HydrophobicContact CG-CB 4.11Å; Y651-N676 HydrophobicContact CE2-CB 4.3Å; Y651-N676 PolarHBondContact OH-ND2 2.85Å; N676-E678 PolarHBondContact O-N 3.21Å; N676-E678 VanDerWaalsContact O-N 3.09Å; N676-E678 WeakPolarHBondContact OD1-CA 3.43Å; N676-E678 WeakPolarHBondContact OD1-CB 3.42Å; N676-E678 PolarHBondContact OD1-N 2.95Å; N676-N679 WeakPolarHBondContact O-CA 3.42Å; N676-N679 PolarHBondContact O-N 2.9Å; N676-N679 PolarHBondContact OD1-N 3.4Å; N676-K680 PolarHBondContact N-O 3.29Å; N676-K680 VanDerWaalsContact N-O 3.08Å; N676-K680 WeakPolarHBondContact OD1-CB 3.3Å; N676-K680 PolarHBondContact OD1-N 3.22Å | ||
| 677 | K | 95.9 | Very high | 94.9 | Very high | 152 Ų | 152 | 39.7 Ų | 39.7 | 66% | 0.661 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.3 | 178.4 | -75.9 | -175 | 174.2 | 178.2 | 0 | 115.2 | K644 Y645 N679 | K644-K677 WeakPolarHBondContact O-CD 3.37Å; K644-K677 WeakPolarHBondContact O-CE 3.46Å; K644-K677 PolarHBondContact O-NZ 3.25Å; Y645-K677 WeakPolarHBondContact O-CB 3.43Å; Y645-K677 WeakPolarHBondContact O-CG 3.46Å; Y645-K677 PolarHBondContact O-N 3.09Å; K677-N679 VanDerWaalsContact C-N 3.34Å |
| 678 | E | 95.6 | Very high | 95.2 | Very high | 90 Ų | 90 | 39.8 Ų | 39.8 | 42% | 0.421 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 14.1 | 173.6 | -61.6 | -178.3 | 167.9 | 0 | 0 | 111.9 | N676 K680 D709 S710 | N676-E678 PolarHBondContact O-N 3.21Å; N676-E678 VanDerWaalsContact O-N 3.09Å; N676-E678 WeakPolarHBondContact OD1-CA 3.43Å; N676-E678 WeakPolarHBondContact OD1-CB 3.42Å; N676-E678 PolarHBondContact OD1-N 2.95Å; E678-K680 HydrophobicContact CB-CD 4.24Å; E678-K680 HydrophobicContact CB-CG 4.2Å; E678-K680 PolarHBondContact O-N 2.94Å; E678-K680 WeakPolarHBondContact OE2-CE 3.38Å; E678-K680 IonicContact OE2-NZ 2.74Å; E678-K680 PolarHBondContact OE2-NZ 2.69Å; E678-D709 CarbonylContact O-C 3.44Å; E678-D709 WeakPolarHBondContact O-CA 3.4Å; E678-D709 WeakPolarHBondContact O-CB 3.45Å; E678-S710 WeakPolarHBondContact O-CB 3.47Å; E678-S710 PolarHBondContact O-N 3.01Å |
| 679 | N | 96.4 | Very high | 95.5 | Very high | 75 Ų | 75 | 42.3 Ų | 42.3 | 40% | 0.401 | 21% | 0.212 | S | C | . | . | trans | 57.5 | 21.7 | -174.9 | -59 | -17.6 | 0 | 0 | 0 | 114.4 | N676 K677 S681 | N676-N679 WeakPolarHBondContact O-CA 3.42Å; N676-N679 PolarHBondContact O-N 2.9Å; N676-N679 PolarHBondContact OD1-N 3.4Å; K677-N679 VanDerWaalsContact C-N 3.34Å; N679-S681 PolarHBondContact O-N 3.38Å | ||
| 680 | K | 97.2 | Very high | 95.9 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 19% | 0.187 | 19% | 0.19 | C | C | . | . | trans | -80.2 | 121.8 | 175.4 | -63.1 | 173.8 | 175 | 166.2 | 0 | 109 | Y651 T675 N676 E678 Y684 D709 | Y651-K680 HydrophobicContact CE2-CB 4.11Å; Y651-K680 WeakPolarHBondContact CE2-O 3.05Å; T675-K680 WeakPolarHBondContact CA-O 3.39Å; N676-K680 PolarHBondContact N-O 3.29Å; N676-K680 VanDerWaalsContact N-O 3.08Å; N676-K680 WeakPolarHBondContact OD1-CB 3.3Å; N676-K680 PolarHBondContact OD1-N 3.22Å; E678-K680 HydrophobicContact CB-CD 4.24Å; E678-K680 HydrophobicContact CB-CG 4.2Å; E678-K680 PolarHBondContact O-N 2.94Å; E678-K680 WeakPolarHBondContact OE2-CE 3.38Å; E678-K680 IonicContact OE2-NZ 2.74Å; E678-K680 PolarHBondContact OE2-NZ 2.69Å; K680-Y684 HydrophobicContact CB-CD1 3.91Å; K680-Y684 HydrophobicContact CB-CE1 4.41Å; K680-Y684 HydrophobicContact CB-CG 4.24Å; K680-Y684 HydrophobicContact CD-CD1 4.05Å; K680-Y684 HydrophobicContact CD-CE1 3.74Å; K680-Y684 HydrophobicContact CG-CD1 3.79Å; K680-Y684 HydrophobicContact CG-CE1 3.79Å; K680-Y684 HydrophobicContact CG-CG 4.29Å; K680-D709 HydrophobicContact CG-CB 3.83Å | ||
| 681 | S | 96.6 | Very high | 96.2 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | trans | -81 | 164.6 | 175.2 | 67.5 | 0 | 0 | 0 | 0 | 111.9 | N679 L683 Y684 I685 | N679-S681 PolarHBondContact O-N 3.38Å; S681-L683 PolarHBondContact O-N 3.02Å; S681-L683 PolarHBondContact OG-N 3.08Å; S681-Y684 WeakPolarHBondContact O-CB 3.33Å; S681-Y684 PolarHBondContact O-N 3Å; S681-Y684 VanDerWaalsContact O-N 3.13Å; S681-Y684 PolarHBondContact OG-N 2.72Å; S681-Y684 VanDerWaalsContact OG-N 3.07Å; S681-I685 PolarHBondContact O-N 3.02Å; S681-I685 VanDerWaalsContact O-N 3.12Å | ||
| 682 | P | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.5 | -35.6 | 169 | -26.5 | 35.8 | 0 | 0 | 0 | 113.1 | I650 I672 I685 S686 L698 | I650-P682 HydrophobicContact CG2-CG 3.89Å; I672-P682 WeakPolarHBondContact O-CD 3.16Å; P682-I685 VanDerWaalsContact O-CG2 3.32Å; P682-I685 WeakPolarHBondContact O-CG2 3.25Å; P682-I685 PolarHBondContact O-N 3.28Å; P682-S686 PolarHBondContact O-N 2.97Å; P682-S686 VanDerWaalsContact O-N 3.08Å; P682-S686 PolarHBondContact O-OG 3.02Å; P682-L698 HydrophobicContact CB-CD1 3.9Å; P682-L698 HydrophobicContact CB-CD2 4.1Å |
| 683 | L | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.6 | -39.8 | 176.5 | -178.3 | 65.6 | 0 | 0 | 0 | 111.8 | S681 I685 S686 A687 T695 L698 L699 A703 P715 L731 | S681-L683 PolarHBondContact O-N 3.02Å; S681-L683 PolarHBondContact OG-N 3.08Å; L683-I685 PolarHBondContact O-N 3.14Å; L683-S686 PolarHBondContact O-OG 2.88Å; L683-S686 VanDerWaalsContact O-OG 3.08Å; L683-A687 VanDerWaalsContact O-CB 3.25Å; L683-A687 WeakPolarHBondContact O-CB 3.35Å; L683-A687 PolarHBondContact O-N 3.18Å; L683-T695 HydrophobicContact CD1-CG2 3.66Å; L683-L698 HydrophobicContact CB-CD1 4.35Å; L683-L698 HydrophobicContact CD1-CB 4.25Å; L683-L699 HydrophobicContact CD1-CD2 4.07Å; L683-L699 HydrophobicContact CD1-CG 3.96Å; L683-L699 HydrophobicContact CD2-CD2 3.77Å; L683-A703 HydrophobicContact CB-CB 4.25Å; L683-A703 HydrophobicContact CD2-CB 4.09Å; L683-P715 HydrophobicContact CD2-CB 4.46Å; L683-P715 HydrophobicContact CD2-CG 4.15Å; L683-P715 HydrophobicContact CG-CB 4.24Å; L683-P715 HydrophobicContact CG-CG 4.16Å; L683-L731 HydrophobicContact CD1-CD2 4.32Å; L683-L731 HydrophobicContact CD2-CD2 4.16Å; L683-L731 HydrophobicContact CG-CD2 4.41Å |
| 684 | Y | 98 | Very high | 96.8 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 175.2 | -178.7 | -75.5 | 0 | 0 | 0 | 111 | K680 S681 A687 Y688 D709 K713 V718 | K680-Y684 HydrophobicContact CB-CD1 3.91Å; K680-Y684 HydrophobicContact CB-CE1 4.41Å; K680-Y684 HydrophobicContact CB-CG 4.24Å; K680-Y684 HydrophobicContact CD-CD1 4.05Å; K680-Y684 HydrophobicContact CD-CE1 3.74Å; K680-Y684 HydrophobicContact CG-CD1 3.79Å; K680-Y684 HydrophobicContact CG-CE1 3.79Å; K680-Y684 HydrophobicContact CG-CG 4.29Å; S681-Y684 WeakPolarHBondContact O-CB 3.33Å; S681-Y684 PolarHBondContact O-N 3Å; S681-Y684 VanDerWaalsContact O-N 3.13Å; S681-Y684 PolarHBondContact OG-N 2.72Å; S681-Y684 VanDerWaalsContact OG-N 3.07Å; Y684-A687 PolarHBondContact O-N 3.43Å; Y684-Y688 WeakPolarHBondContact O-CB 3.41Å; Y684-Y688 PolarHBondContact O-N 2.84Å; Y684-D709 HydrophobicContact CD2-CB 4.34Å; Y684-D709 HydrophobicContact CE2-CB 3.81Å; Y684-D709 PolarHBondContact OH-OD2 3.31Å; Y684-K713 HydrophobicContact CE2-CB 4.12Å; Y684-K713 WeakPolarHBondContact CE2-O 3.26Å; Y684-V718 HydrophobicContact CD1-CG1 4.47Å; Y684-V718 HydrophobicContact CD2-CG1 4.16Å; Y684-V718 HydrophobicContact CE1-CG1 4.32Å; Y684-V718 HydrophobicContact CE1-CG2 4.3Å; Y684-V718 HydrophobicContact CE2-CB 4.24Å; Y684-V718 HydrophobicContact CE2-CG1 4.05Å; Y684-V718 HydrophobicContact CG-CG1 4.38Å |
| 685 | I | 97.1 | Very high | 96.9 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 6% | 0.062 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.7 | -34.5 | -175.5 | -159.5 | 62.5 | 0 | 0 | 0 | 112.3 | Y651 A654 C655 S681 P682 L683 A687 Y688 F689 | Y651-I685 HydrophobicContact CD2-CG2 4.16Å; Y651-I685 HydrophobicContact CE1-CG1 4.47Å; Y651-I685 HydrophobicContact CE2-CB 4.01Å; Y651-I685 HydrophobicContact CE2-CG1 4.5Å; Y651-I685 HydrophobicContact CE2-CG2 4Å; A654-I685 HydrophobicContact CB-CG2 4Å; C655-I685 HydrophobicContact CB-CG1 3.88Å; C655-I685 HydrophobicContact CB-CG2 4.36Å; S681-I685 PolarHBondContact O-N 3.02Å; S681-I685 VanDerWaalsContact O-N 3.12Å; P682-I685 VanDerWaalsContact O-CG2 3.32Å; P682-I685 WeakPolarHBondContact O-CG2 3.25Å; P682-I685 PolarHBondContact O-N 3.28Å; L683-I685 PolarHBondContact O-N 3.14Å; I685-A687 VanDerWaalsContact C-N 3.34Å; I685-Y688 PolarHBondContact O-N 3.08Å; I685-F689 HydrophobicContact CD1-CD2 4.04Å; I685-F689 HydrophobicContact CD1-CE2 3.56Å; I685-F689 HydrophobicContact CG1-CD2 3.94Å; I685-F689 HydrophobicContact CG1-CE2 3.75Å; I685-F689 WeakPolarHBondContact O-CD2 3.41Å; I685-F689 PolarHBondContact O-N 3.46Å |
| 686 | S | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -37.5 | 173.5 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | P682 L683 G690 Y691 T695 | P682-S686 PolarHBondContact O-N 2.97Å; P682-S686 VanDerWaalsContact O-N 3.08Å; P682-S686 PolarHBondContact O-OG 3.02Å; L683-S686 PolarHBondContact O-OG 2.88Å; L683-S686 VanDerWaalsContact O-OG 3.08Å; S686-G690 WeakPolarHBondContact O-CA 3.39Å; S686-G690 PolarHBondContact O-N 3.38Å; S686-Y691 PolarHBondContact O-N 3.07Å; S686-T695 WeakPolarHBondContact CB-OG1 3.46Å; S686-T695 PolarHBondContact OG-OG1 3.46Å |
| 687 | A | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.3 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L683 Y684 I685 G690 P715 V718 A719 I727 L731 | L683-A687 VanDerWaalsContact O-CB 3.25Å; L683-A687 WeakPolarHBondContact O-CB 3.35Å; L683-A687 PolarHBondContact O-N 3.18Å; Y684-A687 PolarHBondContact O-N 3.43Å; I685-A687 VanDerWaalsContact C-N 3.34Å; A687-G690 PolarHBondContact O-N 2.98Å; A687-P715 HydrophobicContact CB-CB 4.15Å; A687-V718 HydrophobicContact CB-CG1 4.33Å; A687-A719 HydrophobicContact CB-CB 4.33Å; A687-I727 HydrophobicContact CB-CG2 3.76Å; A687-L731 HydrophobicContact CB-CD1 4.41Å |
| 688 | Y | 96.9 | Very high | 97.1 | Very high | 84 Ų | 84 | 34.6 Ų | 34.6 | 33% | 0.329 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.8 | -50.9 | 174.4 | 179.6 | -79.5 | 0 | 0 | 0 | 111.6 | Y684 I685 V718 H722 | Y684-Y688 WeakPolarHBondContact O-CB 3.41Å; Y684-Y688 PolarHBondContact O-N 2.84Å; I685-Y688 PolarHBondContact O-N 3.08Å; Y688-V718 HydrophobicContact CD2-CG2 3.4Å; Y688-V718 HydrophobicContact CE2-CG2 4.23Å; Y688-V718 HydrophobicContact CG-CG2 4.16Å; Y688-H722 AromaticContact CD2-CD2 3.82Å; Y688-H722 AromaticContact CD2-NE2 3.45Å; Y688-H722 WeakPolarHBondContact CD2-NE2 3.44Å; Y688-H722 AromaticContact CE2-CD2 3.86Å; Y688-H722 AromaticContact CE2-CE1 3.89Å; Y688-H722 AromaticContact CE2-NE2 3.01Å; Y688-H722 WeakPolarHBondContact CE2-NE2 3.3Å; Y688-H722 AromaticContact CZ-CE1 3.84Å; Y688-H722 AromaticContact CZ-NE2 3.37Å |
| 689 | F | 96.7 | Very high | 97.2 | Very high | 76 Ų | 76 | 31.7 Ų | 31.7 | 33% | 0.333 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -80.9 | -20.6 | -178.5 | -72.4 | -66 | 0 | 0 | 0 | 113.8 | I685 Y691 R724 | I685-F689 HydrophobicContact CD1-CD2 4.04Å; I685-F689 HydrophobicContact CD1-CE2 3.56Å; I685-F689 HydrophobicContact CG1-CD2 3.94Å; I685-F689 HydrophobicContact CG1-CE2 3.75Å; I685-F689 WeakPolarHBondContact O-CD2 3.41Å; I685-F689 PolarHBondContact O-N 3.46Å; F689-Y691 HydrophobicContact CB-CD2 3.78Å; F689-Y691 HydrophobicContact CB-CE1 4.38Å; F689-Y691 HydrophobicContact CB-CE2 3.38Å; F689-Y691 HydrophobicContact CB-CG 4.44Å; F689-Y691 HydrophobicContact CD2-CE2 4.12Å; F689-Y691 AromaticContact CG-CE2 3.94Å; F689-Y691 HydrophobicContact CG-CE2 3.94Å; F689-R724 PolarHBondContact O-NH2 3.19Å |
| 690 | G | 95.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 26% | 0.258 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 30.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S686 A687 L692 | S686-G690 WeakPolarHBondContact O-CA 3.39Å; S686-G690 PolarHBondContact O-N 3.38Å; A687-G690 PolarHBondContact O-N 2.98Å; G690-L692 PolarHBondContact O-N 3.13Å |
| 691 | Y | 97.8 | Very high | 97 | Very high | 70 Ų | 70 | 40 Ų | 40 | 28% | 0.275 | 19% | 0.185 | S | C | . | . | trans | -82.6 | 101.1 | 179.5 | -58.8 | -50.7 | 0 | 0 | 0 | 111 | A654 G657 S686 F689 I694 T695 | A654-Y691 WeakPolarHBondContact O-CD2 3.43Å; A654-Y691 VanDerWaalsContact O-CE2 3.22Å; A654-Y691 WeakPolarHBondContact O-CE2 3.32Å; G657-Y691 VanDerWaalsContact CA-CE2 3.47Å; G657-Y691 VanDerWaalsContact N-CE2 3.35Å; S686-Y691 PolarHBondContact O-N 3.07Å; F689-Y691 HydrophobicContact CB-CD2 3.78Å; F689-Y691 HydrophobicContact CB-CE1 4.38Å; F689-Y691 HydrophobicContact CB-CE2 3.38Å; F689-Y691 HydrophobicContact CB-CG 4.44Å; F689-Y691 HydrophobicContact CD2-CE2 4.12Å; F689-Y691 AromaticContact CG-CE2 3.94Å; F689-Y691 HydrophobicContact CG-CE2 3.94Å; Y691-I694 HydrophobicContact CD2-CD1 4.18Å; Y691-I694 HydrophobicContact CG-CD1 4.14Å; Y691-T695 WeakPolarHBondContact O-CB 3.49Å; Y691-T695 PolarHBondContact O-N 2.91Å; Y691-T695 PolarHBondContact O-OG1 3.04Å | ||
| 692 | L | 97.1 | Very high | 96.9 | Very high | 59 Ų | 59 | 42 Ų | 42 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.5 | -51.2 | -172.9 | -172.9 | 72.3 | 0 | 0 | 0 | 112.6 | G690 I694 T695 N696 E726 I727 L730 | G690-L692 PolarHBondContact O-N 3.13Å; L692-I694 VanDerWaalsContact C-N 3.31Å; L692-I694 PolarHBondContact O-N 3.48Å; L692-T695 PolarHBondContact O-N 3.5Å; L692-N696 WeakPolarHBondContact O-CB 3.49Å; L692-N696 PolarHBondContact O-N 3.29Å; L692-E726 HydrophobicContact CD1-CB 3.82Å; L692-I727 HydrophobicContact CB-CD1 4.4Å; L692-I727 HydrophobicContact CD1-CD1 4.05Å; L692-L730 HydrophobicContact CD1-CD1 3.41Å; L692-L730 VanDerWaalsContact CD1-CD1 3.41Å; L692-L730 HydrophobicContact CD1-CG 4.14Å; L692-L730 HydrophobicContact CG-CD1 4.27Å |
| 693 | E | 97.2 | Very high | 96.8 | Very high | 120 Ų | 120 | 42.3 Ų | 42.3 | 56% | 0.561 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.7 | -40.4 | -175.8 | -58.9 | 84.7 | -179.7 | 0 | 0 | 111.3 | A697 | E693-A697 WeakPolarHBondContact O-CB 3.48Å; E693-A697 PolarHBondContact O-N 3.08Å |
| 694 | I | 98 | Very high | 96.7 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -45.8 | 178.3 | -69.6 | 165 | 0 | 0 | 0 | 110.6 | A654 G657 V662 Y691 L692 N696 A697 L698 | A654-I694 HydrophobicContact CB-CG2 3.83Å; G657-I694 VanDerWaalsContact C-CD1 3.42Å; G657-I694 VanDerWaalsContact CA-CD1 3.5Å; V662-I694 HydrophobicContact CB-CG1 4.41Å; V662-I694 HydrophobicContact CG1-CG2 4.28Å; V662-I694 HydrophobicContact CG2-CD1 4.3Å; V662-I694 HydrophobicContact CG2-CG1 4.14Å; V662-I694 HydrophobicContact CG2-CG2 4.22Å; Y691-I694 HydrophobicContact CD2-CD1 4.18Å; Y691-I694 HydrophobicContact CG-CD1 4.14Å; L692-I694 VanDerWaalsContact C-N 3.31Å; L692-I694 PolarHBondContact O-N 3.48Å; I694-N696 VanDerWaalsContact C-N 3.34Å; I694-N696 PolarHBondContact O-N 3.12Å; I694-A697 PolarHBondContact O-N 3.27Å; I694-L698 HydrophobicContact CG2-CD1 3.86Å; I694-L698 HydrophobicContact CG2-CG 4.37Å; I694-L698 WeakPolarHBondContact O-CB 3.43Å; I694-L698 VanDerWaalsContact O-CG 3.28Å; I694-L698 WeakPolarHBondContact O-CG 3.17Å; I694-L698 PolarHBondContact O-N 2.65Å |
| 695 | T | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 179.3 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | L683 S686 Y691 L692 L698 L699 I727 L730 | L683-T695 HydrophobicContact CD1-CG2 3.66Å; S686-T695 WeakPolarHBondContact CB-OG1 3.46Å; S686-T695 PolarHBondContact OG-OG1 3.46Å; Y691-T695 WeakPolarHBondContact O-CB 3.49Å; Y691-T695 PolarHBondContact O-N 2.91Å; Y691-T695 PolarHBondContact O-OG1 3.04Å; L692-T695 PolarHBondContact O-N 3.5Å; T695-L698 PolarHBondContact O-N 3.28Å; T695-L699 HydrophobicContact CG2-CD1 4.1Å; T695-L699 VanDerWaalsContact O-CG 3.3Å; T695-L699 WeakPolarHBondContact O-CG 3.49Å; T695-L699 PolarHBondContact O-N 3.03Å; T695-I727 HydrophobicContact CG2-CD1 4.13Å; T695-I727 HydrophobicContact CG2-CG2 4.22Å; T695-L730 HydrophobicContact CG2-CD1 4.46Å |
| 696 | N | 97.5 | Very high | 96.6 | Very high | 47 Ų | 47 | 50 Ų | 50 | 25% | 0.251 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 176.7 | -173.3 | 25.1 | 0 | 0 | 0 | 112 | L692 I694 L699 R700 L730 | L692-N696 WeakPolarHBondContact O-CB 3.49Å; L692-N696 PolarHBondContact O-N 3.29Å; I694-N696 VanDerWaalsContact C-N 3.34Å; I694-N696 PolarHBondContact O-N 3.12Å; N696-L699 PolarHBondContact O-N 3.34Å; N696-R700 PolarHBondContact ND2-NE 3.49Å; N696-R700 PolarHBondContact ND2-NH2 3.23Å; N696-R700 VanDerWaalsContact ND2-NH2 3.12Å; N696-R700 WeakPolarHBondContact O-CB 3.48Å; N696-R700 VanDerWaalsContact O-CG 3.26Å; N696-R700 WeakPolarHBondContact O-CG 3.46Å; N696-R700 PolarHBondContact O-N 3.32Å; N696-R700 PolarHBondContact OD1-NE 2.88Å; N696-L730 HydrophobicContact CB-CD1 3.98Å |
| 697 | A | 96.6 | Very high | 96.5 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N663 L666 E693 I694 L699 R700 H701 | N663-A697 WeakPolarHBondContact OD1-CB 3.13Å; L666-A697 HydrophobicContact CD1-CB 3.98Å; E693-A697 WeakPolarHBondContact O-CB 3.48Å; E693-A697 PolarHBondContact O-N 3.08Å; I694-A697 PolarHBondContact O-N 3.27Å; A697-L699 PolarHBondContact O-N 3.42Å; A697-R700 PolarHBondContact O-N 3.18Å; A697-H701 PolarHBondContact O-CD2 3.41Å; A697-H701 VanDerWaalsContact O-CD2 3.26Å; A697-H701 PolarHBondContact O-N 2.79Å; A697-H701 VanDerWaalsContact O-N 3.11Å |
| 698 | L | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 178.1 | -70.2 | 170.9 | 0 | 0 | 0 | 112.1 | I650 L666 I672 P682 L683 I694 T695 H701 G702 A703 | I650-L698 HydrophobicContact CD1-CD2 3.84Å; I650-L698 HydrophobicContact CG1-CD2 4.42Å; L666-L698 HydrophobicContact CD1-CD2 4.48Å; L666-L698 HydrophobicContact CD2-CD2 4.35Å; I672-L698 HydrophobicContact CG2-CD2 4.01Å; P682-L698 HydrophobicContact CB-CD1 3.9Å; P682-L698 HydrophobicContact CB-CD2 4.1Å; L683-L698 HydrophobicContact CB-CD1 4.35Å; L683-L698 HydrophobicContact CD1-CB 4.25Å; I694-L698 HydrophobicContact CG2-CD1 3.86Å; I694-L698 HydrophobicContact CG2-CG 4.37Å; I694-L698 WeakPolarHBondContact O-CB 3.43Å; I694-L698 VanDerWaalsContact O-CG 3.28Å; I694-L698 WeakPolarHBondContact O-CG 3.17Å; I694-L698 PolarHBondContact O-N 2.65Å; T695-L698 PolarHBondContact O-N 3.28Å; L698-H701 PolarHBondContact O-N 2.9Å; L698-G702 PolarHBondContact O-N 3.1Å; L698-A703 HydrophobicContact CB-CB 4.03Å; L698-A703 WeakPolarHBondContact O-CB 3.36Å; L698-A703 PolarHBondContact O-N 3.49Å |
| 699 | L | 96.6 | Very high | 96.4 | Very high | 29 Ų | 29 | 52.2 Ų | 52.2 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 177.3 | -71.4 | 171.4 | 0 | 0 | 0 | 112.1 | L683 T695 N696 A697 H701 G702 V705 L730 L731 A734 | L683-L699 HydrophobicContact CD1-CD2 4.07Å; L683-L699 HydrophobicContact CD1-CG 3.96Å; L683-L699 HydrophobicContact CD2-CD2 3.77Å; T695-L699 HydrophobicContact CG2-CD1 4.1Å; T695-L699 VanDerWaalsContact O-CG 3.3Å; T695-L699 WeakPolarHBondContact O-CG 3.49Å; T695-L699 PolarHBondContact O-N 3.03Å; N696-L699 PolarHBondContact O-N 3.34Å; A697-L699 PolarHBondContact O-N 3.42Å; L699-H701 PolarHBondContact O-N 3.41Å; L699-G702 PolarHBondContact O-N 3.17Å; L699-V705 HydrophobicContact CD2-CG2 3.79Å; L699-L730 HydrophobicContact CD1-CB 4.17Å; L699-L731 HydrophobicContact CD1-CD2 4.33Å; L699-L731 HydrophobicContact CD2-CD2 4.34Å; L699-A734 HydrophobicContact CD1-CB 4.12Å; L699-A734 HydrophobicContact CD2-CB 3.88Å |
| 700 | R | 95.7 | Very high | 96.4 | Very high | 192 Ų | 192 | 50.4 Ų | 50.4 | 73% | 0.725 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.4 | -30 | 176.2 | -73.7 | 172.9 | -177.4 | -174.1 | -4.9 | 113.1 | N696 A697 G702 | N696-R700 PolarHBondContact ND2-NE 3.49Å; N696-R700 PolarHBondContact ND2-NH2 3.23Å; N696-R700 VanDerWaalsContact ND2-NH2 3.12Å; N696-R700 WeakPolarHBondContact O-CB 3.48Å; N696-R700 VanDerWaalsContact O-CG 3.26Å; N696-R700 WeakPolarHBondContact O-CG 3.46Å; N696-R700 PolarHBondContact O-N 3.32Å; N696-R700 PolarHBondContact OD1-NE 2.88Å; A697-R700 PolarHBondContact O-N 3.18Å; R700-G702 VanDerWaalsContact C-N 3.29Å |
| 701 | H | 95.1 | Very high | 96.4 | Very high | 100 Ų | 100 | 53.6 Ų | 53.6 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 7.5 | 175.9 | -80.8 | -90.7 | 0 | 0 | 0 | 113.8 | L666 I672 A697 L698 L699 | L666-H701 HydrophobicContact CD2-CB 4.06Å; I672-H701 HydrophobicContact CD1-CB 4.3Å; I672-H701 WeakPolarHBondContact CD1-O 3.27Å; A697-H701 PolarHBondContact O-CD2 3.41Å; A697-H701 VanDerWaalsContact O-CD2 3.26Å; A697-H701 PolarHBondContact O-N 2.79Å; A697-H701 VanDerWaalsContact O-N 3.11Å; L698-H701 PolarHBondContact O-N 2.9Å; L699-H701 PolarHBondContact O-N 3.41Å |
| 702 | G | 93.7 | Very high | 96.3 | Very high | 47 Ų | 47 | 57.2 Ų | 57.2 | 49% | 0.485 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 24.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | H673 L698 L699 R700 Q704 | H673-G702 PolarHBondContact CE1-O 3.48Å; L698-G702 PolarHBondContact O-N 3.1Å; L699-G702 PolarHBondContact O-N 3.17Å; R700-G702 VanDerWaalsContact C-N 3.29Å; G702-Q704 PolarHBondContact O-N 3.33Å |
| 703 | A | 95.2 | Very high | 96.3 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 7% | 0.066 | 28% | 0.278 | C | S | . | . | trans | -57.9 | 137.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I672 L683 L698 V705 | I672-A703 HydrophobicContact CD1-CB 4.05Å; I672-A703 VanDerWaalsContact CD1-N 3.33Å; L683-A703 HydrophobicContact CB-CB 4.25Å; L683-A703 HydrophobicContact CD2-CB 4.09Å; L698-A703 HydrophobicContact CB-CB 4.03Å; L698-A703 WeakPolarHBondContact O-CB 3.36Å; L698-A703 PolarHBondContact O-N 3.49Å; A703-V705 PolarHBondContact O-N 2.86Å | ||
| 704 | Q | 95.5 | Very high | 96.3 | Very high | 97 Ų | 97 | 51.5 Ų | 51.5 | 45% | 0.453 | 25% | 0.251 | S | S | . | . | trans | -65.2 | 108.5 | 177.3 | -76.2 | 173.7 | -13.2 | 0 | 0 | 110.5 | G702 D706 Q707 | G702-Q704 PolarHBondContact O-N 3.33Å; Q704-D706 VanDerWaalsContact C-N 3.29Å; Q704-D706 PolarHBondContact O-N 3.07Å; Q704-Q707 HydrophobicContact CB-CB 4.02Å; Q704-Q707 PolarHBondContact O-N 2.82Å | ||
| 705 | V | 96.6 | Very high | 96.3 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 16% | 0.158 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -36.5 | -172.7 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | L699 A703 P715 L731 A734 A736 | L699-V705 HydrophobicContact CD2-CG2 3.79Å; A703-V705 PolarHBondContact O-N 2.86Å; V705-P715 VanDerWaalsContact O-CD 3.26Å; V705-P715 WeakPolarHBondContact O-CD 3.29Å; V705-P715 WeakPolarHBondContact O-CG 3.35Å; V705-L731 HydrophobicContact CG1-CD2 4.01Å; V705-A734 HydrophobicContact CG1-CB 4.32Å; V705-A734 HydrophobicContact CG2-CB 3.98Å; V705-A736 HydrophobicContact CG1-CB 3.53Å |
| 706 | D | 96.1 | Very high | 96.3 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 32% | 0.316 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 17.9 | -176.7 | -70.1 | -35.5 | 0 | 0 | 0 | 114 | Q704 M708 N737 | Q704-D706 VanDerWaalsContact C-N 3.29Å; Q704-D706 PolarHBondContact O-N 3.07Å; D706-M708 PolarHBondContact O-N 2.9Å; D706-N737 PolarHBondContact OD1-N 3.08Å; D706-N737 VanDerWaalsContact OD2-CB 3.23Å; D706-N737 WeakPolarHBondContact OD2-CB 3.49Å; D706-N737 PolarHBondContact OD2-N 3.48Å; D706-N737 VanDerWaalsContact OD2-N 3.12Å |
| 707 | Q | 96.4 | Very high | 96.4 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 24% | 0.238 | 24% | 0.241 | C | C | . | . | trans | -61.1 | 116.3 | 177.3 | 179 | 54.4 | 50 | 0 | 0 | 110.6 | T675 Q704 P715 | T675-Q707 HydrophobicContact CG2-CG 3.94Å; Q704-Q707 HydrophobicContact CB-CB 4.02Å; Q704-Q707 PolarHBondContact O-N 2.82Å; Q707-P715 WeakPolarHBondContact O-CD 3.45Å | ||
| 708 | M | 95.7 | Very high | 96.4 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 36% | 0.36 | 24% | 0.239 | S | C | . | . | trans | -88.5 | 144.8 | -175.7 | -75.4 | -177.8 | -71.4 | 0 | 0 | 112.7 | D706 R712 K713 T714 | D706-M708 PolarHBondContact O-N 2.9Å; M708-R712 HydrophobicContact SD-CB 3.79Å; M708-R712 HydrophobicContact SD-CG 4.1Å; M708-K713 WeakPolarHBondContact CA-O 3.33Å; M708-T714 HydrophobicContact CG-CG2 3.77Å | ||
| 709 | D | 96.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | trans | -74.4 | 179.7 | 167.1 | 77 | 1.6 | 0 | 0 | 0 | 112.5 | E678 K680 Y684 H711 R712 K713 | E678-D709 CarbonylContact O-C 3.44Å; E678-D709 WeakPolarHBondContact O-CA 3.4Å; E678-D709 WeakPolarHBondContact O-CB 3.45Å; K680-D709 HydrophobicContact CG-CB 3.83Å; Y684-D709 HydrophobicContact CD2-CB 4.34Å; Y684-D709 HydrophobicContact CE2-CB 3.81Å; Y684-D709 PolarHBondContact OH-OD2 3.31Å; D709-H711 PolarHBondContact O-N 3Å; D709-H711 WeakPolarHBondContact OD1-CA 3.15Å; D709-H711 WeakPolarHBondContact OD1-CB 3.31Å; D709-H711 PolarHBondContact OD1-N 3.42Å; D709-R712 PolarHBondContact O-N 3.36Å; D709-R712 PolarHBondContact OD1-N 2.91Å; D709-K713 PolarHBondContact N-O 3.43Å; D709-K713 WeakPolarHBondContact OD1-CB 3.23Å; D709-K713 PolarHBondContact OD1-N 3.27Å | ||
| 710 | S | 96 | Very high | 96.4 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 27% | 0.266 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.2 | 177.1 | 67.7 | 0 | 0 | 0 | 0 | 113.4 | E678 K743 | E678-S710 WeakPolarHBondContact O-CB 3.47Å; E678-S710 PolarHBondContact O-N 3.01Å; S710-K743 WeakPolarHBondContact O-CE 3.01Å; S710-K743 PolarHBondContact O-NZ 3.46Å |
| 711 | H | 95.7 | Very high | 96.4 | Very high | 93 Ų | 93 | 43.6 Ų | 43.6 | 43% | 0.431 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 13.3 | 175 | -60.3 | -79.1 | 0 | 0 | 0 | 113.4 | D709 K713 K743 | D709-H711 PolarHBondContact O-N 3Å; D709-H711 WeakPolarHBondContact OD1-CA 3.15Å; D709-H711 WeakPolarHBondContact OD1-CB 3.31Å; D709-H711 PolarHBondContact OD1-N 3.42Å; H711-K713 HydrophobicContact CB-CD 4.35Å; H711-K713 HydrophobicContact CB-CG 4.25Å; H711-K713 PolarHBondContact O-N 3.42Å; H711-K743 WeakPolarHBondContact O-CG 3.45Å; H711-K743 PolarHBondContact O-N 3.49Å |
| 712 | R | 95.8 | Very high | 96.4 | Very high | 146 Ų | 146 | 41.5 Ų | 41.5 | 55% | 0.551 | 21% | 0.206 | S | C | * | . | trans | 62.3 | 21.6 | -176.5 | -64 | -174.7 | 171.8 | -135.1 | -0.2 | 114.2 | M708 D709 K743 | M708-R712 HydrophobicContact SD-CB 3.79Å; M708-R712 HydrophobicContact SD-CG 4.1Å; D709-R712 PolarHBondContact O-N 3.36Å; D709-R712 PolarHBondContact OD1-N 2.91Å; R712-K743 HydrophobicContact CB-CG 4.28Å; R712-K743 HydrophobicContact CG-CG 4.06Å | ||
| 713 | K | 97.4 | Very high | 96.5 | Very high | 57 Ų | 57 | 40.6 Ų | 40.6 | 25% | 0.248 | 20% | 0.197 | C | C | . | . | trans | -85.3 | 128.8 | 176.1 | -60.6 | 175.8 | 176 | -178.9 | 0 | 109.2 | Y684 M708 D709 H711 Y717 D742 | Y684-K713 HydrophobicContact CE2-CB 4.12Å; Y684-K713 WeakPolarHBondContact CE2-O 3.26Å; M708-K713 WeakPolarHBondContact CA-O 3.33Å; D709-K713 PolarHBondContact N-O 3.43Å; D709-K713 WeakPolarHBondContact OD1-CB 3.23Å; D709-K713 PolarHBondContact OD1-N 3.27Å; H711-K713 HydrophobicContact CB-CD 4.35Å; H711-K713 HydrophobicContact CB-CG 4.25Å; H711-K713 PolarHBondContact O-N 3.42Å; K713-Y717 HydrophobicContact CB-CD1 3.88Å; K713-Y717 HydrophobicContact CB-CE1 4.38Å; K713-Y717 HydrophobicContact CB-CG 4.21Å; K713-Y717 HydrophobicContact CD-CD1 3.92Å; K713-Y717 HydrophobicContact CD-CE1 3.63Å; K713-Y717 HydrophobicContact CG-CD1 3.78Å; K713-Y717 HydrophobicContact CG-CE1 3.77Å; K713-Y717 HydrophobicContact CG-CG 4.29Å; K713-D742 HydrophobicContact CG-CB 3.84Å | ||
| 714 | T | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | trans | -85.5 | 164.6 | 174.3 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | M708 L716 Y717 V718 A740 | M708-T714 HydrophobicContact CG-CG2 3.77Å; T714-L716 PolarHBondContact O-N 3.26Å; T714-Y717 WeakPolarHBondContact O-CB 3.38Å; T714-Y717 PolarHBondContact O-N 2.98Å; T714-Y717 VanDerWaalsContact O-N 3.13Å; T714-Y717 PolarHBondContact OG1-N 3.27Å; T714-V718 PolarHBondContact O-N 2.95Å; T714-V718 VanDerWaalsContact O-N 3.11Å; T714-A740 HydrophobicContact CG2-CB 3.6Å | ||
| 715 | P | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -52.7 | -38 | 169.5 | -28.3 | 37.2 | 0 | 0 | 0 | 112.6 | L683 A687 V705 Q707 V718 A719 L731 | L683-P715 HydrophobicContact CD2-CB 4.46Å; L683-P715 HydrophobicContact CD2-CG 4.15Å; L683-P715 HydrophobicContact CG-CB 4.24Å; L683-P715 HydrophobicContact CG-CG 4.16Å; A687-P715 HydrophobicContact CB-CB 4.15Å; V705-P715 VanDerWaalsContact O-CD 3.26Å; V705-P715 WeakPolarHBondContact O-CD 3.29Å; V705-P715 WeakPolarHBondContact O-CG 3.35Å; Q707-P715 WeakPolarHBondContact O-CD 3.45Å; P715-V718 VanDerWaalsContact O-CG1 3.31Å; P715-V718 WeakPolarHBondContact O-CG1 3.41Å; P715-V718 PolarHBondContact O-N 3.3Å; P715-A719 VanDerWaalsContact O-CB 3.3Å; P715-A719 WeakPolarHBondContact O-CB 3.21Å; P715-A719 PolarHBondContact O-N 2.99Å; P715-L731 HydrophobicContact CB-CD1 3.93Å; P715-L731 HydrophobicContact CB-CD2 4.08Å |
| 716 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 177 | -179.8 | 64.4 | 0 | 0 | 0 | 111.8 | T714 V718 T720 V728 L731 L732 A736 V738 P748 L764 | T714-L716 PolarHBondContact O-N 3.26Å; L716-V718 VanDerWaalsContact C-N 3.33Å; L716-V718 PolarHBondContact O-N 3.34Å; L716-T720 WeakPolarHBondContact O-CB 3.43Å; L716-T720 PolarHBondContact O-N 3.42Å; L716-T720 PolarHBondContact O-OG1 3.02Å; L716-V728 HydrophobicContact CD1-CB 4.36Å; L716-V728 HydrophobicContact CD1-CG1 3.87Å; L716-V728 HydrophobicContact CD1-CG2 4.22Å; L716-L731 HydrophobicContact CB-CD1 4.28Å; L716-L731 HydrophobicContact CD1-CB 4.26Å; L716-L732 HydrophobicContact CD1-CD2 4.21Å; L716-L732 HydrophobicContact CD1-CG 4.27Å; L716-L732 HydrophobicContact CD2-CD2 3.98Å; L716-A736 HydrophobicContact CB-CB 4.2Å; L716-A736 HydrophobicContact CD2-CB 3.97Å; L716-V738 HydrophobicContact CD2-CG1 4.38Å; L716-P748 HydrophobicContact CD2-CB 4.48Å; L716-P748 HydrophobicContact CD2-CG 4.12Å; L716-P748 HydrophobicContact CG-CB 4.35Å; L716-P748 HydrophobicContact CG-CG 4.18Å; L716-L764 HydrophobicContact CD1-CD2 4.16Å; L716-L764 HydrophobicContact CD2-CD2 4.2Å; L716-L764 HydrophobicContact CG-CD2 4.39Å |
| 717 | Y | 97.8 | Very high | 96.6 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 4% | 0.039 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57 | -48.2 | 176.3 | -179.9 | -73.9 | 0 | 0 | 0 | 110.8 | K713 T714 T720 Y721 D742 K746 V751 | K713-Y717 HydrophobicContact CB-CD1 3.88Å; K713-Y717 HydrophobicContact CB-CE1 4.38Å; K713-Y717 HydrophobicContact CB-CG 4.21Å; K713-Y717 HydrophobicContact CD-CD1 3.92Å; K713-Y717 HydrophobicContact CD-CE1 3.63Å; K713-Y717 HydrophobicContact CG-CD1 3.78Å; K713-Y717 HydrophobicContact CG-CE1 3.77Å; K713-Y717 HydrophobicContact CG-CG 4.29Å; T714-Y717 WeakPolarHBondContact O-CB 3.38Å; T714-Y717 PolarHBondContact O-N 2.98Å; T714-Y717 VanDerWaalsContact O-N 3.13Å; T714-Y717 PolarHBondContact OG1-N 3.27Å; Y717-T720 WeakPolarHBondContact O-CB 3.42Å; Y717-T720 PolarHBondContact O-N 3.12Å; Y717-Y721 WeakPolarHBondContact O-CB 2.92Å; Y717-Y721 PolarHBondContact O-N 2.7Å; Y717-D742 HydrophobicContact CD2-CB 4.29Å; Y717-D742 HydrophobicContact CE2-CB 3.71Å; Y717-D742 PolarHBondContact OH-OD2 3.04Å; Y717-K746 HydrophobicContact CE2-CB 4.19Å; Y717-K746 WeakPolarHBondContact CE2-O 3.08Å; Y717-V751 HydrophobicContact CD2-CG2 4.17Å; Y717-V751 HydrophobicContact CE1-CG2 4.18Å; Y717-V751 HydrophobicContact CE2-CG2 3.46Å; Y717-V751 VanDerWaalsContact CE2-CG2 3.46Å; Y717-V751 VanDerWaalsContact CZ-CG2 3.47Å |
| 718 | V | 97.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76 | -35.2 | -173.8 | 73.2 | 0 | 0 | 0 | 0 | 113.1 | Y684 A687 Y688 T714 P715 L716 T720 Y721 H722 | Y684-V718 HydrophobicContact CD1-CG1 4.47Å; Y684-V718 HydrophobicContact CD2-CG1 4.16Å; Y684-V718 HydrophobicContact CE1-CG1 4.32Å; Y684-V718 HydrophobicContact CE1-CG2 4.3Å; Y684-V718 HydrophobicContact CE2-CB 4.24Å; Y684-V718 HydrophobicContact CE2-CG1 4.05Å; Y684-V718 HydrophobicContact CG-CG1 4.38Å; A687-V718 HydrophobicContact CB-CG1 4.33Å; Y688-V718 HydrophobicContact CD2-CG2 3.4Å; Y688-V718 HydrophobicContact CE2-CG2 4.23Å; Y688-V718 HydrophobicContact CG-CG2 4.16Å; T714-V718 PolarHBondContact O-N 2.95Å; T714-V718 VanDerWaalsContact O-N 3.11Å; P715-V718 VanDerWaalsContact O-CG1 3.31Å; P715-V718 WeakPolarHBondContact O-CG1 3.41Å; P715-V718 PolarHBondContact O-N 3.3Å; L716-V718 VanDerWaalsContact C-N 3.33Å; L716-V718 PolarHBondContact O-N 3.34Å; V718-T720 VanDerWaalsContact C-N 3.27Å; V718-T720 PolarHBondContact O-N 2.9Å; V718-Y721 PolarHBondContact O-N 3.06Å; V718-H722 PolarHBondContact O-CD2 3.05Å; V718-H722 VanDerWaalsContact O-CD2 3.32Å; V718-H722 PolarHBondContact O-N 2.82Å; V718-H722 VanDerWaalsContact O-N 3.14Å |
| 719 | A | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.5 | -41.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A687 P715 H722 G723 R724 I727 V728 L731 | A687-A719 HydrophobicContact CB-CB 4.33Å; P715-A719 VanDerWaalsContact O-CB 3.3Å; P715-A719 WeakPolarHBondContact O-CB 3.21Å; P715-A719 PolarHBondContact O-N 2.99Å; A719-H722 PolarHBondContact O-N 3.06Å; A719-G723 PolarHBondContact O-N 2.66Å; A719-G723 VanDerWaalsContact O-N 3.14Å; A719-R724 HydrophobicContact CB-CB 4.21Å; A719-R724 PolarHBondContact O-N 2.86Å; A719-I727 HydrophobicContact CB-CB 4.21Å; A719-I727 HydrophobicContact CB-CG2 3.65Å; A719-V728 HydrophobicContact CB-CG2 3.89Å; A719-L731 HydrophobicContact CB-CD1 4.18Å |
| 720 | T | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.1 | -45.6 | 177.3 | -56 | 0 | 0 | 0 | 0 | 111.6 | L716 Y717 V718 H722 G723 P748 A752 H757 L760 L764 | L716-T720 WeakPolarHBondContact O-CB 3.43Å; L716-T720 PolarHBondContact O-N 3.42Å; L716-T720 PolarHBondContact O-OG1 3.02Å; Y717-T720 WeakPolarHBondContact O-CB 3.42Å; Y717-T720 PolarHBondContact O-N 3.12Å; V718-T720 VanDerWaalsContact C-N 3.27Å; V718-T720 PolarHBondContact O-N 2.9Å; T720-H722 PolarHBondContact O-N 2.79Å; T720-G723 PolarHBondContact O-N 2.65Å; T720-P748 WeakPolarHBondContact CG2-O 3.31Å; T720-A752 HydrophobicContact CG2-CB 3.6Å; T720-H757 PolarHBondContact O-CD2 2.83Å; T720-L760 HydrophobicContact CG2-CD1 4.36Å; T720-L764 HydrophobicContact CG2-CD1 3.87Å |
| 721 | Y | 95.8 | Very high | 96.8 | Very high | 97 Ų | 97 | 41.2 Ų | 41.2 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.3 | -36.7 | 176.5 | -176.7 | -87.6 | 0 | 0 | 0 | 112.8 | Y717 V718 V751 H755 | Y717-Y721 WeakPolarHBondContact O-CB 2.92Å; Y717-Y721 PolarHBondContact O-N 2.7Å; V718-Y721 PolarHBondContact O-N 3.06Å; Y721-V751 HydrophobicContact CD2-CG1 3.62Å; Y721-V751 HydrophobicContact CG-CG1 4.15Å; Y721-H755 AromaticContact CD2-CD2 3.99Å; Y721-H755 AromaticContact CD2-NE2 3.46Å; Y721-H755 WeakPolarHBondContact CD2-NE2 3.29Å; Y721-H755 AromaticContact CE2-CE1 3.58Å; Y721-H755 AromaticContact CE2-NE2 3.08Å; Y721-H755 WeakPolarHBondContact CE2-NE2 3.46Å; Y721-H755 AromaticContact CZ-CE1 3.8Å; Y721-H755 AromaticContact CZ-NE2 3.79Å |
| 722 | H | 95.7 | Very high | 96.9 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 26% | 0.259 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 9.7 | 179.2 | -69.5 | -63.8 | 0 | 0 | 0 | 114.4 | Y688 V718 A719 T720 R724 | Y688-H722 AromaticContact CD2-CD2 3.82Å; Y688-H722 AromaticContact CD2-NE2 3.45Å; Y688-H722 WeakPolarHBondContact CD2-NE2 3.44Å; Y688-H722 AromaticContact CE2-CD2 3.86Å; Y688-H722 AromaticContact CE2-CE1 3.89Å; Y688-H722 AromaticContact CE2-NE2 3.01Å; Y688-H722 WeakPolarHBondContact CE2-NE2 3.3Å; Y688-H722 AromaticContact CZ-CE1 3.84Å; Y688-H722 AromaticContact CZ-NE2 3.37Å; V718-H722 PolarHBondContact O-CD2 3.05Å; V718-H722 VanDerWaalsContact O-CD2 3.32Å; V718-H722 PolarHBondContact O-N 2.82Å; V718-H722 VanDerWaalsContact O-N 3.14Å; A719-H722 PolarHBondContact O-N 3.06Å; T720-H722 PolarHBondContact O-N 2.79Å; H722-R724 VanDerWaalsContact C-N 3.32Å; H722-R724 HydrophobicContact CB-CG 4.02Å; H722-R724 PolarHBondContact O-N 2.93Å |
| 723 | G | 94.7 | Very high | 96.9 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 29% | 0.289 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 25.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A719 T720 S725 H757 | A719-G723 PolarHBondContact O-N 2.66Å; A719-G723 VanDerWaalsContact O-N 3.14Å; T720-G723 PolarHBondContact O-N 2.65Å; G723-S725 PolarHBondContact O-N 3.12Å; G723-H757 PolarHBondContact N-NE2 2.74Å |
| 724 | R | 96.5 | Very high | 96.8 | Very high | 98 Ų | 98 | 36.6 Ų | 36.6 | 37% | 0.37 | 20% | 0.195 | S | C | . | . | trans | -80.9 | 74.9 | -174.7 | -52.6 | -53.8 | -172.7 | -176.9 | 0.6 | 112.1 | F689 A719 H722 E726 I727 V728 | F689-R724 PolarHBondContact O-NH2 3.19Å; A719-R724 HydrophobicContact CB-CB 4.21Å; A719-R724 PolarHBondContact O-N 2.86Å; H722-R724 VanDerWaalsContact C-N 3.32Å; H722-R724 HydrophobicContact CB-CG 4.02Å; H722-R724 PolarHBondContact O-N 2.93Å; R724-E726 PolarHBondContact O-N 2.99Å; R724-I727 HydrophobicContact CB-CB 3.91Å; R724-I727 HydrophobicContact CB-CG1 3.93Å; R724-I727 PolarHBondContact O-N 2.89Å; R724-I727 VanDerWaalsContact O-N 3.17Å; R724-V728 WeakPolarHBondContact O-CG2 3.47Å; R724-V728 PolarHBondContact O-N 3.45Å | ||
| 725 | S | 95.6 | Very high | 96.7 | Very high | 45 Ų | 45 | 39.2 Ų | 39.2 | 32% | 0.315 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -50 | -49.9 | -173.7 | -165.8 | 0 | 0 | 0 | 0 | 115.2 | G723 I727 V728 D729 K763 | G723-S725 PolarHBondContact O-N 3.12Å; S725-I727 PolarHBondContact O-N 3.01Å; S725-V728 WeakPolarHBondContact O-CB 3.22Å; S725-V728 PolarHBondContact O-N 3.27Å; S725-D729 PolarHBondContact O-N 3.31Å; S725-D729 VanDerWaalsContact O-N 3.12Å; S725-K763 PolarHBondContact OG-NZ 3.11Å |
| 726 | E | 96.5 | Very high | 96.6 | Very high | 127 Ų | 127 | 39.5 Ų | 39.5 | 59% | 0.593 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -69.2 | -33.8 | -177.6 | -61.1 | 171.9 | -174.6 | 0 | 0 | 112.6 | L692 R724 D729 L730 | L692-E726 HydrophobicContact CD1-CB 3.82Å; R724-E726 PolarHBondContact O-N 2.99Å; E726-D729 PolarHBondContact O-N 3.36Å; E726-L730 PolarHBondContact O-N 3.07Å; E726-L730 VanDerWaalsContact O-N 3.1Å |
| 727 | I | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.8 | -40 | 174.6 | -60 | -59.7 | 0 | 0 | 0 | 110.5 | A687 L692 T695 A719 R724 S725 D729 L730 L731 | A687-I727 HydrophobicContact CB-CG2 3.76Å; L692-I727 HydrophobicContact CB-CD1 4.4Å; L692-I727 HydrophobicContact CD1-CD1 4.05Å; T695-I727 HydrophobicContact CG2-CD1 4.13Å; T695-I727 HydrophobicContact CG2-CG2 4.22Å; A719-I727 HydrophobicContact CB-CB 4.21Å; A719-I727 HydrophobicContact CB-CG2 3.65Å; R724-I727 HydrophobicContact CB-CB 3.91Å; R724-I727 HydrophobicContact CB-CG1 3.93Å; R724-I727 PolarHBondContact O-N 2.89Å; R724-I727 VanDerWaalsContact O-N 3.17Å; S725-I727 PolarHBondContact O-N 3.01Å; I727-D729 VanDerWaalsContact C-N 3.32Å; I727-D729 PolarHBondContact O-N 2.99Å; I727-L730 PolarHBondContact O-N 3.47Å; I727-L731 HydrophobicContact CG2-CD1 3.8Å; I727-L731 HydrophobicContact CG2-CG 4.26Å; I727-L731 WeakPolarHBondContact O-CB 3.28Å; I727-L731 VanDerWaalsContact O-CG 3.29Å; I727-L731 WeakPolarHBondContact O-CG 3.5Å; I727-L731 PolarHBondContact O-N 3.24Å |
| 728 | V | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 175.7 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | L716 A719 R724 S725 L730 L731 L732 L760 L764 | L716-V728 HydrophobicContact CD1-CB 4.36Å; L716-V728 HydrophobicContact CD1-CG1 3.87Å; L716-V728 HydrophobicContact CD1-CG2 4.22Å; A719-V728 HydrophobicContact CB-CG2 3.89Å; R724-V728 WeakPolarHBondContact O-CG2 3.47Å; R724-V728 PolarHBondContact O-N 3.45Å; S725-V728 WeakPolarHBondContact O-CB 3.22Å; S725-V728 PolarHBondContact O-N 3.27Å; V728-L730 PolarHBondContact O-N 3.05Å; V728-L731 PolarHBondContact O-N 3.14Å; V728-L732 HydrophobicContact CG1-CD1 3.71Å; V728-L732 HydrophobicContact CG1-CG 4.15Å; V728-L732 WeakPolarHBondContact O-CB 3.26Å; V728-L732 VanDerWaalsContact O-CG 3.26Å; V728-L732 WeakPolarHBondContact O-CG 3.43Å; V728-L732 PolarHBondContact O-N 3.32Å; V728-L760 HydrophobicContact CB-CD2 3.78Å; V728-L760 HydrophobicContact CG1-CD2 3.9Å; V728-L760 HydrophobicContact CG2-CD2 3.76Å; V728-L764 HydrophobicContact CG1-CD2 4.42Å |
| 729 | D | 97.3 | Very high | 96.4 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 33% | 0.326 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 175.9 | -63.9 | -25.1 | 0 | 0 | 0 | 111.5 | S725 E726 I727 L731 L732 T733 K763 | S725-D729 PolarHBondContact O-N 3.31Å; S725-D729 VanDerWaalsContact O-N 3.12Å; E726-D729 PolarHBondContact O-N 3.36Å; I727-D729 VanDerWaalsContact C-N 3.32Å; I727-D729 PolarHBondContact O-N 2.99Å; D729-L731 PolarHBondContact O-N 2.84Å; D729-L732 PolarHBondContact O-N 3.14Å; D729-T733 VanDerWaalsContact O-CG2 3.27Å; D729-T733 WeakPolarHBondContact O-CG2 3.41Å; D729-T733 PolarHBondContact O-N 3Å; D729-T733 PolarHBondContact O-OG1 3.19Å; D729-T733 VanDerWaalsContact O-OG1 3.08Å; D729-K763 VanDerWaalsContact OD1-CD 3.28Å; D729-K763 WeakPolarHBondContact OD1-CD 3.3Å; D729-K763 WeakPolarHBondContact OD1-CE 3.32Å; D729-K763 IonicContact OD1-NZ 2.94Å; D729-K763 PolarHBondContact OD1-NZ 3.18Å; D729-K763 IonicContact OD2-NZ 2.67Å; D729-K763 PolarHBondContact OD2-NZ 2.99Å |
| 730 | L | 96.6 | Very high | 96.2 | Very high | 39 Ų | 39 | 45.5 Ų | 45.5 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 176.7 | -74.4 | -175.9 | 0 | 0 | 0 | 112.5 | L692 T695 N696 L699 E726 I727 V728 T733 A734 | L692-L730 HydrophobicContact CD1-CD1 3.41Å; L692-L730 VanDerWaalsContact CD1-CD1 3.41Å; L692-L730 HydrophobicContact CD1-CG 4.14Å; L692-L730 HydrophobicContact CG-CD1 4.27Å; T695-L730 HydrophobicContact CG2-CD1 4.46Å; N696-L730 HydrophobicContact CB-CD1 3.98Å; L699-L730 HydrophobicContact CD1-CB 4.17Å; E726-L730 PolarHBondContact O-N 3.07Å; E726-L730 VanDerWaalsContact O-N 3.1Å; I727-L730 PolarHBondContact O-N 3.47Å; V728-L730 PolarHBondContact O-N 3.05Å; L730-T733 WeakPolarHBondContact CA-OG1 3.44Å; L730-T733 PolarHBondContact O-N 2.72Å; L730-T733 PolarHBondContact O-OG1 3.13Å; L730-A734 WeakPolarHBondContact O-CB 3.48Å; L730-A734 PolarHBondContact O-N 3.45Å |
| 731 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.7 | -40.2 | -179.6 | -69.4 | 171.6 | 0 | 0 | 0 | 112 | L683 A687 L699 V705 P715 L716 A719 I727 V728 D729 A734 G735 A736 | L683-L731 HydrophobicContact CD1-CD2 4.32Å; L683-L731 HydrophobicContact CD2-CD2 4.16Å; L683-L731 HydrophobicContact CG-CD2 4.41Å; A687-L731 HydrophobicContact CB-CD1 4.41Å; L699-L731 HydrophobicContact CD1-CD2 4.33Å; L699-L731 HydrophobicContact CD2-CD2 4.34Å; V705-L731 HydrophobicContact CG1-CD2 4.01Å; P715-L731 HydrophobicContact CB-CD1 3.93Å; P715-L731 HydrophobicContact CB-CD2 4.08Å; L716-L731 HydrophobicContact CB-CD1 4.28Å; L716-L731 HydrophobicContact CD1-CB 4.26Å; A719-L731 HydrophobicContact CB-CD1 4.18Å; I727-L731 HydrophobicContact CG2-CD1 3.8Å; I727-L731 HydrophobicContact CG2-CG 4.26Å; I727-L731 WeakPolarHBondContact O-CB 3.28Å; I727-L731 VanDerWaalsContact O-CG 3.29Å; I727-L731 WeakPolarHBondContact O-CG 3.5Å; I727-L731 PolarHBondContact O-N 3.24Å; V728-L731 PolarHBondContact O-N 3.14Å; D729-L731 PolarHBondContact O-N 2.84Å; L731-A734 CarbonylContact O-C 3.52Å; L731-A734 PolarHBondContact O-N 3.43Å; L731-G735 PolarHBondContact O-N 2.88Å; L731-A736 HydrophobicContact CB-CB 4.09Å; L731-A736 WeakPolarHBondContact O-CB 3.5Å; L731-A736 PolarHBondContact O-N 3.32Å |
| 732 | L | 96.7 | Very high | 96 | Very high | 35 Ų | 35 | 42.1 Ų | 42.1 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 176.2 | -69.3 | 175.2 | 0 | 0 | 0 | 111.6 | L716 V728 D729 A734 G735 V738 L764 A767 | L716-L732 HydrophobicContact CD1-CD2 4.21Å; L716-L732 HydrophobicContact CD1-CG 4.27Å; L716-L732 HydrophobicContact CD2-CD2 3.98Å; V728-L732 HydrophobicContact CG1-CD1 3.71Å; V728-L732 HydrophobicContact CG1-CG 4.15Å; V728-L732 WeakPolarHBondContact O-CB 3.26Å; V728-L732 VanDerWaalsContact O-CG 3.26Å; V728-L732 WeakPolarHBondContact O-CG 3.43Å; V728-L732 PolarHBondContact O-N 3.32Å; D729-L732 PolarHBondContact O-N 3.14Å; L732-A734 PolarHBondContact O-N 3.38Å; L732-G735 PolarHBondContact O-N 3.11Å; L732-V738 HydrophobicContact CD2-CG1 4.12Å; L732-V738 HydrophobicContact CD2-CG2 3.79Å; L732-L764 HydrophobicContact CD2-CD2 4.42Å; L732-A767 HydrophobicContact CD1-CB 4.06Å; L732-A767 HydrophobicContact CD2-CB 3.84Å; L732-A767 HydrophobicContact CG-CB 4.46Å |
| 733 | T | 95.8 | Very high | 95.9 | Very high | 119 Ų | 119 | 43.9 Ų | 43.9 | 73% | 0.73 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.7 | -27.9 | 174.7 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | D729 L730 G735 | D729-T733 VanDerWaalsContact O-CG2 3.27Å; D729-T733 WeakPolarHBondContact O-CG2 3.41Å; D729-T733 PolarHBondContact O-N 3Å; D729-T733 PolarHBondContact O-OG1 3.19Å; D729-T733 VanDerWaalsContact O-OG1 3.08Å; L730-T733 WeakPolarHBondContact CA-OG1 3.44Å; L730-T733 PolarHBondContact O-N 2.72Å; L730-T733 PolarHBondContact O-OG1 3.13Å; T733-G735 PolarHBondContact O-N 2.99Å |
| 734 | A | 95.3 | Very high | 95.7 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 2.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L699 V705 L730 L731 L732 | L699-A734 HydrophobicContact CD1-CB 4.12Å; L699-A734 HydrophobicContact CD2-CB 3.88Å; V705-A734 HydrophobicContact CG1-CB 4.32Å; V705-A734 HydrophobicContact CG2-CB 3.98Å; L730-A734 WeakPolarHBondContact O-CB 3.48Å; L730-A734 PolarHBondContact O-N 3.45Å; L731-A734 CarbonylContact O-C 3.52Å; L731-A734 PolarHBondContact O-N 3.43Å; L732-A734 PolarHBondContact O-N 3.38Å |
| 735 | G | 94.7 | Very high | 95.5 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 58% | 0.577 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | 26.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L731 L732 T733 | L731-G735 PolarHBondContact O-N 2.88Å; L732-G735 PolarHBondContact O-N 3.11Å; T733-G735 PolarHBondContact O-N 2.99Å |
| 736 | A | 96.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | trans | -55.9 | 138.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V705 L716 L731 V738 | V705-A736 HydrophobicContact CG1-CB 3.53Å; L716-A736 HydrophobicContact CB-CB 4.2Å; L716-A736 HydrophobicContact CD2-CB 3.97Å; L731-A736 HydrophobicContact CB-CB 4.09Å; L731-A736 WeakPolarHBondContact O-CB 3.5Å; L731-A736 PolarHBondContact O-N 3.32Å; A736-V738 PolarHBondContact O-N 3.14Å | ||
| 737 | N | 96.7 | Very high | 95.3 | Very high | 77 Ų | 77 | 36.8 Ų | 36.8 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | trans | -70.5 | 101.5 | 175.2 | -178.6 | -3.7 | 0 | 0 | 0 | 111.1 | D706 N739 A740 | D706-N737 PolarHBondContact OD1-N 3.08Å; D706-N737 VanDerWaalsContact OD2-CB 3.23Å; D706-N737 WeakPolarHBondContact OD2-CB 3.49Å; D706-N737 PolarHBondContact OD2-N 3.48Å; D706-N737 VanDerWaalsContact OD2-N 3.12Å; N737-N739 PolarHBondContact O-N 3.07Å; N737-N739 PolarHBondContact OD1-N 2.87Å; N737-A740 HydrophobicContact CB-CB 4.15Å; N737-A740 WeakPolarHBondContact O-CB 3.45Å; N737-A740 PolarHBondContact O-N 3.35Å; N737-A740 VanDerWaalsContact O-N 3.14Å; N737-A740 PolarHBondContact OD1-N 3.11Å | ||
| 738 | V | 96.6 | Very high | 95.2 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 9% | 0.085 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20 | -178.9 | -150.1 | 0 | 0 | 0 | 0 | 113.4 | L716 L732 A736 P748 L764 A767 A769 | L716-V738 HydrophobicContact CD2-CG1 4.38Å; L732-V738 HydrophobicContact CD2-CG1 4.12Å; L732-V738 HydrophobicContact CD2-CG2 3.79Å; A736-V738 PolarHBondContact O-N 3.14Å; V738-P748 WeakPolarHBondContact O-CD 3.37Å; V738-L764 HydrophobicContact CG1-CB 4.15Å; V738-L764 HydrophobicContact CG1-CD2 3.61Å; V738-L764 HydrophobicContact CG1-CG 4.49Å; V738-A767 HydrophobicContact CG1-CB 4.28Å; V738-A767 HydrophobicContact CG2-CB 3.94Å; V738-A767 WeakPolarHBondContact CG2-O 3.43Å; V738-A769 HydrophobicContact CG1-CB 3.88Å |
| 739 | N | 95.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 19% | 0.193 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 5.9 | -176.4 | -68.1 | -55.2 | 0 | 0 | 0 | 113.7 | N737 A741 G768 S770 | N737-N739 PolarHBondContact O-N 3.07Å; N737-N739 PolarHBondContact OD1-N 2.87Å; N739-A741 PolarHBondContact O-N 3.16Å; N739-G768 PolarHBondContact ND2-O 3.45Å; N739-S770 VanDerWaalsContact OD1-CB 3.29Å; N739-S770 WeakPolarHBondContact OD1-CB 3.43Å; N739-S770 PolarHBondContact OD1-N 3.02Å; N739-S770 PolarHBondContact OD1-OG 2.73Å |
| 740 | A | 94.5 | Very high | 94.8 | Very high | 14 Ų | 14 | 33.9 Ų | 33.9 | 12% | 0.116 | 21% | 0.207 | C | C | . | . | trans | -65 | 116.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T714 N737 P748 | T714-A740 HydrophobicContact CG2-CB 3.6Å; N737-A740 HydrophobicContact CB-CB 4.15Å; N737-A740 WeakPolarHBondContact O-CB 3.45Å; N737-A740 PolarHBondContact O-N 3.35Å; N737-A740 VanDerWaalsContact O-N 3.14Å; N737-A740 PolarHBondContact OD1-N 3.11Å; A740-P748 VanDerWaalsContact O-CD 3.31Å; A740-P748 WeakPolarHBondContact O-CD 3.38Å | ||
| 741 | A | 92.5 | Very high | 94.7 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | trans | -100.5 | 145.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N739 K746 T747 | N739-A741 PolarHBondContact O-N 3.16Å; A741-K746 VanDerWaalsContact CA-O 3.32Å; A741-K746 WeakPolarHBondContact CA-O 3.46Å; A741-T747 HydrophobicContact CB-CG2 4.25Å | ||
| 742 | D | 95 | Very high | 94.4 | Very high | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | trans | -68.5 | -179.1 | 174 | 76.6 | 0.3 | 0 | 0 | 0 | 112.6 | K713 Y717 N744 G745 K746 | K713-D742 HydrophobicContact CG-CB 3.84Å; Y717-D742 HydrophobicContact CD2-CB 4.29Å; Y717-D742 HydrophobicContact CE2-CB 3.71Å; Y717-D742 PolarHBondContact OH-OD2 3.04Å; D742-N744 PolarHBondContact O-N 3.43Å; D742-N744 VanDerWaalsContact OD1-CA 3.28Å; D742-N744 WeakPolarHBondContact OD1-CA 3.49Å; D742-N744 WeakPolarHBondContact OD1-CB 3.38Å; D742-N744 PolarHBondContact OD1-N 3.3Å; D742-G745 PolarHBondContact O-N 3.19Å; D742-G745 PolarHBondContact OD1-N 3.37Å; D742-G745 VanDerWaalsContact OD1-N 3.09Å; D742-K746 PolarHBondContact N-O 3.16Å; D742-K746 WeakPolarHBondContact OD1-CB 3.37Å; D742-K746 PolarHBondContact OD1-N 3.13Å | ||
| 743 | K | 93.8 | Very high | 94.1 | Very high | 92 Ų | 92 | 30.4 Ų | 30.4 | 40% | 0.4 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -23.4 | 175.7 | -88.1 | -174.2 | 177.8 | 168.9 | 0 | 113.6 | S710 H711 R712 R776 | S710-K743 WeakPolarHBondContact O-CE 3.01Å; S710-K743 PolarHBondContact O-NZ 3.46Å; H711-K743 WeakPolarHBondContact O-CG 3.45Å; H711-K743 PolarHBondContact O-N 3.49Å; R712-K743 HydrophobicContact CB-CG 4.28Å; R712-K743 HydrophobicContact CG-CG 4.06Å; K743-R776 WeakPolarHBondContact O-CD 3.26Å; K743-R776 PolarHBondContact O-NE 2.81Å; K743-R776 PolarHBondContact O-NH1 2.9Å; K743-R776 PolarHBondContact O-NH2 2.9Å |
| 744 | N | 91.2 | Very high | 93.7 | Very high | 87 Ų | 87 | 27 Ų | 27 | 47% | 0.465 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 5.2 | 178.8 | -62.5 | -27.6 | 0 | 0 | 0 | 112.5 | D742 K746 D775 R776 | D742-N744 PolarHBondContact O-N 3.43Å; D742-N744 VanDerWaalsContact OD1-CA 3.28Å; D742-N744 WeakPolarHBondContact OD1-CA 3.49Å; D742-N744 WeakPolarHBondContact OD1-CB 3.38Å; D742-N744 PolarHBondContact OD1-N 3.3Å; N744-K746 VanDerWaalsContact C-N 3.27Å; N744-K746 HydrophobicContact CB-CD 4.37Å; N744-K746 HydrophobicContact CB-CG 4.23Å; N744-D775 WeakPolarHBondContact O-CB 3.21Å; N744-R776 WeakPolarHBondContact O-CB 3.47Å; N744-R776 WeakPolarHBondContact O-CG 3.13Å; N744-R776 PolarHBondContact O-N 3.21Å |
| 745 | G | 91.5 | Very high | 93.4 | Very high | 15 Ų | 15 | 28.5 Ų | 28.5 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 80.1 | 5.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | D742 T747 | D742-G745 PolarHBondContact O-N 3.19Å; D742-G745 PolarHBondContact OD1-N 3.37Å; D742-G745 VanDerWaalsContact OD1-N 3.09Å; G745-T747 PolarHBondContact O-N 2.72Å |
| 746 | K | 92.8 | Very high | 93.1 | Very high | 46 Ų | 46 | 27.5 Ų | 27.5 | 20% | 0.2 | 16% | 0.155 | C | C | . | . | trans | -78.3 | 124.3 | -178.5 | -60.3 | 179.7 | 176.4 | -174.7 | 0 | 109.7 | Y717 A741 D742 N744 Y750 V751 D775 | Y717-K746 HydrophobicContact CE2-CB 4.19Å; Y717-K746 WeakPolarHBondContact CE2-O 3.08Å; A741-K746 VanDerWaalsContact CA-O 3.32Å; A741-K746 WeakPolarHBondContact CA-O 3.46Å; D742-K746 PolarHBondContact N-O 3.16Å; D742-K746 WeakPolarHBondContact OD1-CB 3.37Å; D742-K746 PolarHBondContact OD1-N 3.13Å; N744-K746 VanDerWaalsContact C-N 3.27Å; N744-K746 HydrophobicContact CB-CD 4.37Å; N744-K746 HydrophobicContact CB-CG 4.23Å; K746-Y750 HydrophobicContact CB-CD1 3.85Å; K746-Y750 HydrophobicContact CB-CE1 4.3Å; K746-Y750 HydrophobicContact CB-CG 4.21Å; K746-Y750 HydrophobicContact CD-CD1 3.92Å; K746-Y750 HydrophobicContact CD-CE1 3.54Å; K746-Y750 HydrophobicContact CG-CD1 3.76Å; K746-Y750 HydrophobicContact CG-CE1 3.69Å; K746-Y750 HydrophobicContact CG-CG 4.28Å; K746-V751 HydrophobicContact CB-CG2 4.37Å; K746-D775 HydrophobicContact CG-CB 3.97Å | ||
| 747 | T | 95.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | trans | -86.2 | 165 | 175.9 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | A741 G745 L749 Y750 V751 R773 | A741-T747 HydrophobicContact CB-CG2 4.25Å; G745-T747 PolarHBondContact O-N 2.72Å; T747-L749 PolarHBondContact O-N 2.92Å; T747-Y750 WeakPolarHBondContact O-CB 3.37Å; T747-Y750 PolarHBondContact O-N 2.92Å; T747-Y750 VanDerWaalsContact O-N 3.12Å; T747-Y750 PolarHBondContact OG1-N 3.29Å; T747-V751 PolarHBondContact O-N 3.36Å; T747-V751 VanDerWaalsContact O-N 3.08Å; T747-R773 HydrophobicContact CG2-CB 4.16Å; T747-R773 HydrophobicContact CG2-CG 3.78Å | ||
| 748 | P | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -52.3 | -42 | 170.5 | -28.4 | 35.3 | 0 | 0 | 0 | 112.4 | L716 T720 V738 A740 V751 A752 L764 | L716-P748 HydrophobicContact CD2-CB 4.48Å; L716-P748 HydrophobicContact CD2-CG 4.12Å; L716-P748 HydrophobicContact CG-CB 4.35Å; L716-P748 HydrophobicContact CG-CG 4.18Å; T720-P748 WeakPolarHBondContact CG2-O 3.31Å; V738-P748 WeakPolarHBondContact O-CD 3.37Å; A740-P748 VanDerWaalsContact O-CD 3.31Å; A740-P748 WeakPolarHBondContact O-CD 3.38Å; P748-V751 PolarHBondContact O-N 3.45Å; P748-A752 WeakPolarHBondContact O-CB 3.28Å; P748-A752 PolarHBondContact O-N 3.32Å; P748-L764 HydrophobicContact CB-CD1 3.91Å; P748-L764 HydrophobicContact CB-CD2 4.03Å |
| 749 | L | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 176.5 | 178.3 | 63.8 | 0 | 0 | 0 | 111.8 | T747 V751 A752 V753 A761 L765 A769 P781 L799 | T747-L749 PolarHBondContact O-N 2.92Å; L749-V751 PolarHBondContact O-N 3.25Å; L749-A752 PolarHBondContact O-N 3.29Å; L749-V753 HydrophobicContact CD1-CG2 4.25Å; L749-V753 VanDerWaalsContact O-CG2 3.3Å; L749-V753 WeakPolarHBondContact O-CG2 3.35Å; L749-V753 PolarHBondContact O-N 3.2Å; L749-A761 HydrophobicContact CD1-CB 3.96Å; L749-L765 HydrophobicContact CD1-CD1 4.37Å; L749-L765 HydrophobicContact CD1-CD2 4.26Å; L749-L765 HydrophobicContact CD1-CG 3.96Å; L749-L765 HydrophobicContact CD2-CD2 3.6Å; L749-L765 HydrophobicContact CD2-CG 4.24Å; L749-A769 HydrophobicContact CB-CB 4.02Å; L749-A769 HydrophobicContact CD2-CB 4.06Å; L749-P781 HydrophobicContact CD2-CG 4.26Å; L749-P781 HydrophobicContact CG-CB 4.48Å; L749-P781 HydrophobicContact CG-CG 4.37Å; L749-L799 HydrophobicContact CD1-CD2 4.3Å; L749-L799 HydrophobicContact CD2-CD2 4.35Å |
| 750 | Y | 91.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.8 | -45 | 176.4 | -178 | -73.6 | 0 | 0 | 0 | 111 | K746 T747 V753 L754 D775 L779 M784 | K746-Y750 HydrophobicContact CB-CD1 3.85Å; K746-Y750 HydrophobicContact CB-CE1 4.3Å; K746-Y750 HydrophobicContact CB-CG 4.21Å; K746-Y750 HydrophobicContact CD-CD1 3.92Å; K746-Y750 HydrophobicContact CD-CE1 3.54Å; K746-Y750 HydrophobicContact CG-CD1 3.76Å; K746-Y750 HydrophobicContact CG-CE1 3.69Å; K746-Y750 HydrophobicContact CG-CG 4.28Å; T747-Y750 WeakPolarHBondContact O-CB 3.37Å; T747-Y750 PolarHBondContact O-N 2.92Å; T747-Y750 VanDerWaalsContact O-N 3.12Å; T747-Y750 PolarHBondContact OG1-N 3.29Å; Y750-V753 PolarHBondContact O-N 3.37Å; Y750-L754 HydrophobicContact CE1-CD2 4.26Å; Y750-L754 WeakPolarHBondContact O-CB 3.42Å; Y750-L754 PolarHBondContact O-N 2.99Å; Y750-D775 HydrophobicContact CD2-CB 4.47Å; Y750-D775 HydrophobicContact CE2-CB 3.94Å; Y750-D775 WeakPolarHBondContact CE2-OD2 3.32Å; Y750-D775 VanDerWaalsContact CZ-OD2 3.28Å; Y750-D775 PolarHBondContact OH-OD2 2.85Å; Y750-L779 WeakPolarHBondContact CE2-O 3.49Å; Y750-M784 HydrophobicContact CD2-CG 4.29Å; Y750-M784 HydrophobicContact CE1-CG 3.88Å; Y750-M784 HydrophobicContact CE1-SD 4.35Å; Y750-M784 HydrophobicContact CE2-CG 3.64Å; Y750-M784 HydrophobicContact CE2-SD 4.42Å; Y750-M784 VanDerWaalsContact CZ-CG 3.42Å; Y750-M784 PolarHBondContact OH-SD 3.25Å; Y750-M784 VanDerWaalsContact OH-SD 3.33Å |
| 751 | V | 92.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.1 | -40.6 | -179.6 | 177.8 | 0 | 0 | 0 | 0 | 112 | Y717 Y721 K746 T747 P748 L749 V753 L754 H755 | Y717-V751 HydrophobicContact CD2-CG2 4.17Å; Y717-V751 HydrophobicContact CE1-CG2 4.18Å; Y717-V751 HydrophobicContact CE2-CG2 3.46Å; Y717-V751 VanDerWaalsContact CE2-CG2 3.46Å; Y717-V751 VanDerWaalsContact CZ-CG2 3.47Å; Y721-V751 HydrophobicContact CD2-CG1 3.62Å; Y721-V751 HydrophobicContact CG-CG1 4.15Å; K746-V751 HydrophobicContact CB-CG2 4.37Å; T747-V751 PolarHBondContact O-N 3.36Å; T747-V751 VanDerWaalsContact O-N 3.08Å; P748-V751 PolarHBondContact O-N 3.45Å; L749-V751 PolarHBondContact O-N 3.25Å; V751-V753 PolarHBondContact O-N 2.98Å; V751-L754 PolarHBondContact O-N 2.69Å; V751-H755 PolarHBondContact O-CD2 2.94Å; V751-H755 PolarHBondContact O-N 3.22Å |
| 752 | A | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.8 | -41.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | T720 P748 L749 G756 H757 L760 A761 L764 | T720-A752 HydrophobicContact CG2-CB 3.6Å; P748-A752 WeakPolarHBondContact O-CB 3.28Å; P748-A752 PolarHBondContact O-N 3.32Å; L749-A752 PolarHBondContact O-N 3.29Å; A752-G756 PolarHBondContact O-N 2.79Å; A752-G756 VanDerWaalsContact O-N 3.11Å; A752-H757 HydrophobicContact CB-CB 4.48Å; A752-H757 PolarHBondContact O-N 2.88Å; A752-L760 HydrophobicContact CB-CB 4.4Å; A752-A761 HydrophobicContact CB-CB 4.14Å; A752-L764 HydrophobicContact CB-CD1 3.96Å |
| 753 | V | 89.4 | Confident | 92.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69 | -49.2 | 176.1 | 176.2 | 0 | 0 | 0 | 0 | 111 | L749 Y750 V751 H755 G756 P781 M784 A785 L791 M795 L799 | L749-V753 HydrophobicContact CD1-CG2 4.25Å; L749-V753 VanDerWaalsContact O-CG2 3.3Å; L749-V753 WeakPolarHBondContact O-CG2 3.35Å; L749-V753 PolarHBondContact O-N 3.2Å; Y750-V753 PolarHBondContact O-N 3.37Å; V751-V753 PolarHBondContact O-N 2.98Å; V753-H755 PolarHBondContact O-N 3.09Å; V753-G756 PolarHBondContact O-N 3.07Å; V753-P781 VanDerWaalsContact CG1-O 3.3Å; V753-P781 WeakPolarHBondContact CG1-O 3.42Å; V753-P781 HydrophobicContact CG2-CB 4.11Å; V753-M784 HydrophobicContact CG1-CB 4.25Å; V753-A785 HydrophobicContact CG1-CB 3.68Å; V753-L791 WeakPolarHBondContact O-CD1 3.41Å; V753-L791 WeakPolarHBondContact O-CD2 3.46Å; V753-M795 HydrophobicContact CG1-CG 4.06Å; V753-M795 HydrophobicContact CG2-CE 4.45Å; V753-M795 HydrophobicContact CG2-CG 4.27Å; V753-M795 HydrophobicContact CG2-SD 3.8Å; V753-L799 HydrophobicContact CG1-CD1 4.3Å; V753-L799 HydrophobicContact CG2-CD1 4.04Å; V753-L799 HydrophobicContact CG2-CD2 4.1Å; V753-L799 HydrophobicContact CG2-CG 4.47Å |
| 754 | L | 87.7 | Confident | 92.5 | Very high | 46 Ų | 46 | 31.9 Ų | 31.9 | 24% | 0.241 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55 | -37 | 179.8 | -178.5 | 66.2 | 0 | 0 | 0 | 112.8 | Y750 V751 M784 F788 | Y750-L754 HydrophobicContact CE1-CD2 4.26Å; Y750-L754 WeakPolarHBondContact O-CB 3.42Å; Y750-L754 PolarHBondContact O-N 2.99Å; V751-L754 PolarHBondContact O-N 2.69Å; L754-M784 HydrophobicContact CD1-CG 4.48Å; L754-M784 HydrophobicContact CD1-SD 4.08Å; L754-F788 HydrophobicContact CD1-CD2 3.8Å; L754-F788 HydrophobicContact CD1-CE2 3.36Å; L754-F788 HydrophobicContact CD1-CZ 3.96Å |
| 755 | H | 89.6 | Confident | 92.7 | Very high | 76 Ų | 76 | 28.2 Ų | 28.2 | 35% | 0.352 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 4.5 | -179.6 | -70.4 | -84.5 | 0 | 0 | 0 | 114.4 | Y721 V751 V753 H757 | Y721-H755 AromaticContact CD2-CD2 3.99Å; Y721-H755 AromaticContact CD2-NE2 3.46Å; Y721-H755 WeakPolarHBondContact CD2-NE2 3.29Å; Y721-H755 AromaticContact CE2-CE1 3.58Å; Y721-H755 AromaticContact CE2-NE2 3.08Å; Y721-H755 WeakPolarHBondContact CE2-NE2 3.46Å; Y721-H755 AromaticContact CZ-CE1 3.8Å; Y721-H755 AromaticContact CZ-NE2 3.79Å; V751-H755 PolarHBondContact O-CD2 2.94Å; V751-H755 PolarHBondContact O-N 3.22Å; V753-H755 PolarHBondContact O-N 3.09Å; H755-H757 PolarHBondContact O-N 3.05Å |
| 756 | G | 87.4 | Confident | 92.8 | Very high | 35 Ų | 35 | 32.4 Ų | 32.4 | 36% | 0.361 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 23.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A752 V753 L758 | A752-G756 PolarHBondContact O-N 2.79Å; A752-G756 VanDerWaalsContact O-N 3.11Å; V753-G756 PolarHBondContact O-N 3.07Å; G756-L758 VanDerWaalsContact C-N 3.35Å; G756-L758 PolarHBondContact O-N 3.33Å |
| 757 | H | 91.8 | Very high | 92.9 | Very high | 54 Ų | 54 | 32.4 Ų | 32.4 | 25% | 0.25 | 18% | 0.18 | C | C | . | . | trans | -83.2 | 74.5 | 178.9 | -59.7 | -32.8 | 0 | 0 | 0 | 111.7 | T720 G723 A752 H755 A759 L760 A761 | T720-H757 PolarHBondContact O-CD2 2.83Å; G723-H757 PolarHBondContact N-NE2 2.74Å; A752-H757 HydrophobicContact CB-CB 4.48Å; A752-H757 PolarHBondContact O-N 2.88Å; H755-H757 PolarHBondContact O-N 3.05Å; H757-A759 PolarHBondContact O-N 3.05Å; H757-L760 HydrophobicContact CB-CB 3.88Å; H757-L760 HydrophobicContact CB-CD1 3.93Å; H757-L760 HydrophobicContact CB-CG 4.21Å; H757-L760 PolarHBondContact O-N 2.5Å; H757-L760 VanDerWaalsContact O-N 3.11Å; H757-A761 PolarHBondContact O-N 2.98Å | ||
| 758 | L | 90.2 | Very high | 92.8 | Very high | 63 Ų | 63 | 34.6 Ų | 34.6 | 33% | 0.33 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -53.5 | -47.1 | -176.7 | -176.3 | 68.3 | 0 | 0 | 0 | 113.7 | G756 L760 A761 R762 P794 M795 L798 | G756-L758 VanDerWaalsContact C-N 3.35Å; G756-L758 PolarHBondContact O-N 3.33Å; L758-L760 VanDerWaalsContact C-N 3.32Å; L758-L760 PolarHBondContact O-N 2.85Å; L758-A761 PolarHBondContact O-N 3.33Å; L758-R762 PolarHBondContact O-N 3.36Å; L758-P794 HydrophobicContact CD1-CB 4.16Å; L758-P794 HydrophobicContact CD2-CB 3.7Å; L758-M795 VanDerWaalsContact CA-CE 3.48Å; L758-M795 HydrophobicContact CB-CE 4.15Å; L758-M795 HydrophobicContact CD1-CB 4.18Å; L758-M795 HydrophobicContact CD1-CE 4.15Å; L758-M795 HydrophobicContact CD1-SD 4Å; L758-L798 HydrophobicContact CD1-CB 4.22Å; L758-L798 HydrophobicContact CD1-CD1 3.97Å |
| 759 | A | 92.9 | Very high | 92.7 | Very high | 63 Ų | 63 | 35.1 Ų | 35.1 | 52% | 0.521 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65 | -36.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H757 K763 | H757-A759 PolarHBondContact O-N 3.05Å; A759-K763 WeakPolarHBondContact O-CG 3.46Å; A759-K763 PolarHBondContact O-N 3.03Å; A759-K763 VanDerWaalsContact O-N 3.16Å |
| 760 | L | 94.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.5 | -41.1 | 175.8 | -74.8 | -179.3 | 0 | 0 | 0 | 111.8 | T720 V728 A752 H757 L758 R762 K763 L764 | T720-L760 HydrophobicContact CG2-CD1 4.36Å; V728-L760 HydrophobicContact CB-CD2 3.78Å; V728-L760 HydrophobicContact CG1-CD2 3.9Å; V728-L760 HydrophobicContact CG2-CD2 3.76Å; A752-L760 HydrophobicContact CB-CB 4.4Å; H757-L760 HydrophobicContact CB-CB 3.88Å; H757-L760 HydrophobicContact CB-CD1 3.93Å; H757-L760 HydrophobicContact CB-CG 4.21Å; H757-L760 PolarHBondContact O-N 2.5Å; H757-L760 VanDerWaalsContact O-N 3.11Å; L758-L760 VanDerWaalsContact C-N 3.32Å; L758-L760 PolarHBondContact O-N 2.85Å; L760-R762 VanDerWaalsContact C-N 3.26Å; L760-R762 PolarHBondContact O-N 3.12Å; L760-K763 HydrophobicContact CD2-CD 4.26Å; L760-K763 PolarHBondContact O-N 2.81Å; L760-L764 WeakPolarHBondContact O-CB 3.48Å; L760-L764 VanDerWaalsContact O-CG 3.26Å; L760-L764 WeakPolarHBondContact O-CG 3.05Å; L760-L764 PolarHBondContact O-N 3.34Å |
| 761 | A | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -42.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | L749 A752 H757 L758 L764 L765 M795 L798 | L749-A761 HydrophobicContact CD1-CB 3.96Å; A752-A761 HydrophobicContact CB-CB 4.14Å; H757-A761 PolarHBondContact O-N 2.98Å; L758-A761 PolarHBondContact O-N 3.33Å; A761-L764 PolarHBondContact O-N 3.42Å; A761-L765 WeakPolarHBondContact O-CB 3.33Å; A761-L765 VanDerWaalsContact O-CG 3.29Å; A761-L765 WeakPolarHBondContact O-CG 3.3Å; A761-L765 PolarHBondContact O-N 2.89Å; A761-M795 HydrophobicContact CB-CE 3.97Å; A761-M795 HydrophobicContact CB-SD 3.71Å; A761-L798 HydrophobicContact CB-CD2 4Å |
| 762 | R | 94.6 | Very high | 91.5 | Very high | 120 Ų | 120 | 41 Ų | 41 | 45% | 0.453 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.6 | -55.1 | 172.2 | -173.9 | 173.9 | -63.9 | -75.9 | 3.6 | 112 | L758 L760 L764 L765 D766 L798 | L758-R762 PolarHBondContact O-N 3.36Å; L760-R762 VanDerWaalsContact C-N 3.26Å; L760-R762 PolarHBondContact O-N 3.12Å; R762-L764 VanDerWaalsContact C-N 3.29Å; R762-L764 PolarHBondContact O-N 2.97Å; R762-L765 PolarHBondContact O-N 3.48Å; R762-L765 VanDerWaalsContact O-N 3.12Å; R762-D766 WeakPolarHBondContact CG-OD2 3.36Å; R762-D766 VanDerWaalsContact O-CG 3.32Å; R762-D766 PolarHBondContact O-N 3.12Å; R762-L798 HydrophobicContact CB-CD1 3.72Å; R762-L798 HydrophobicContact CG-CD1 4.27Å |
| 763 | K | 94.9 | Very high | 91 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 23% | 0.226 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.8 | -41.3 | -179.6 | -72.3 | 172.4 | 168.6 | -161.6 | 0 | 112.7 | S725 D729 A759 L760 A767 | S725-K763 PolarHBondContact OG-NZ 3.11Å; D729-K763 VanDerWaalsContact OD1-CD 3.28Å; D729-K763 WeakPolarHBondContact OD1-CD 3.3Å; D729-K763 WeakPolarHBondContact OD1-CE 3.32Å; D729-K763 IonicContact OD1-NZ 2.94Å; D729-K763 PolarHBondContact OD1-NZ 3.18Å; D729-K763 IonicContact OD2-NZ 2.67Å; D729-K763 PolarHBondContact OD2-NZ 2.99Å; A759-K763 WeakPolarHBondContact O-CG 3.46Å; A759-K763 PolarHBondContact O-N 3.03Å; A759-K763 VanDerWaalsContact O-N 3.16Å; L760-K763 HydrophobicContact CD2-CD 4.26Å; L760-K763 PolarHBondContact O-N 2.81Å; K763-A767 WeakPolarHBondContact O-CB 3.29Å; K763-A767 PolarHBondContact O-N 3.05Å |
| 764 | L | 96.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 177.9 | -68 | 169.2 | 0 | 0 | 0 | 111.6 | L716 T720 V728 L732 V738 P748 A752 L760 A761 R762 A767 G768 A769 | L716-L764 HydrophobicContact CD1-CD2 4.16Å; L716-L764 HydrophobicContact CD2-CD2 4.2Å; L716-L764 HydrophobicContact CG-CD2 4.39Å; T720-L764 HydrophobicContact CG2-CD1 3.87Å; V728-L764 HydrophobicContact CG1-CD2 4.42Å; L732-L764 HydrophobicContact CD2-CD2 4.42Å; V738-L764 HydrophobicContact CG1-CB 4.15Å; V738-L764 HydrophobicContact CG1-CD2 3.61Å; V738-L764 HydrophobicContact CG1-CG 4.49Å; P748-L764 HydrophobicContact CB-CD1 3.91Å; P748-L764 HydrophobicContact CB-CD2 4.03Å; A752-L764 HydrophobicContact CB-CD1 3.96Å; L760-L764 WeakPolarHBondContact O-CB 3.48Å; L760-L764 VanDerWaalsContact O-CG 3.26Å; L760-L764 WeakPolarHBondContact O-CG 3.05Å; L760-L764 PolarHBondContact O-N 3.34Å; A761-L764 PolarHBondContact O-N 3.42Å; R762-L764 VanDerWaalsContact C-N 3.29Å; R762-L764 PolarHBondContact O-N 2.97Å; L764-A767 CarbonylContact O-C 3.6Å; L764-A767 PolarHBondContact O-N 3.31Å; L764-G768 PolarHBondContact O-N 2.88Å; L764-A769 HydrophobicContact CB-CB 4.08Å; L764-A769 WeakPolarHBondContact O-CB 3.46Å; L764-A769 PolarHBondContact O-N 3.18Å |
| 765 | L | 94.2 | Very high | 90.3 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -42 | 175.7 | -73.5 | 169.5 | 0 | 0 | 0 | 112.2 | L749 A761 R762 A767 G768 A769 V771 L798 L799 Y802 | L749-L765 HydrophobicContact CD1-CD1 4.37Å; L749-L765 HydrophobicContact CD1-CD2 4.26Å; L749-L765 HydrophobicContact CD1-CG 3.96Å; L749-L765 HydrophobicContact CD2-CD2 3.6Å; L749-L765 HydrophobicContact CD2-CG 4.24Å; A761-L765 WeakPolarHBondContact O-CB 3.33Å; A761-L765 VanDerWaalsContact O-CG 3.29Å; A761-L765 WeakPolarHBondContact O-CG 3.3Å; A761-L765 PolarHBondContact O-N 2.89Å; R762-L765 PolarHBondContact O-N 3.48Å; R762-L765 VanDerWaalsContact O-N 3.12Å; L765-A767 PolarHBondContact O-N 3.25Å; L765-G768 PolarHBondContact O-N 3.08Å; L765-A769 HydrophobicContact CD2-CB 4.45Å; L765-V771 HydrophobicContact CD2-CB 4.06Å; L765-V771 HydrophobicContact CD2-CG2 4.18Å; L765-L798 HydrophobicContact CD1-CD2 3.28Å; L765-L798 HydrophobicContact CD1-CG 4.07Å; L765-L799 HydrophobicContact CD1-CD2 4.4Å; L765-Y802 HydrophobicContact CB-CD1 3.64Å; L765-Y802 HydrophobicContact CB-CD2 4.26Å; L765-Y802 HydrophobicContact CB-CE1 3.58Å; L765-Y802 HydrophobicContact CB-CE2 4.21Å; L765-Y802 HydrophobicContact CB-CG 3.98Å; L765-Y802 HydrophobicContact CD1-CD1 4.37Å; L765-Y802 HydrophobicContact CD1-CD2 3.66Å; L765-Y802 HydrophobicContact CD1-CE2 4.03Å; L765-Y802 HydrophobicContact CD1-CG 3.83Å; L765-Y802 HydrophobicContact CD2-CD1 4.33Å; L765-Y802 HydrophobicContact CD2-CG 4.17Å; L765-Y802 HydrophobicContact CG-CD1 4.34Å; L765-Y802 HydrophobicContact CG-CD2 4.47Å; L765-Y802 HydrophobicContact CG-CG 4.23Å |
| 766 | D | 94.9 | Very high | 89.9 | Confident | 104 Ų | 104 | 53.4 Ų | 53.4 | 56% | 0.556 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.9 | -31.8 | 173.3 | -70 | -29.1 | 0 | 0 | 0 | 111.7 | R762 G768 Y802 | R762-D766 WeakPolarHBondContact CG-OD2 3.36Å; R762-D766 VanDerWaalsContact O-CG 3.32Å; R762-D766 PolarHBondContact O-N 3.12Å; D766-G768 VanDerWaalsContact C-N 3.28Å; D766-G768 PolarHBondContact O-N 3.25Å; D766-Y802 PolarHBondContact OD1-OH 3.06Å |
| 767 | A | 94.2 | Very high | 89.3 | Confident | 45 Ų | 45 | 59 Ų | 59 | 37% | 0.372 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 5.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L732 V738 K763 L764 L765 | L732-A767 HydrophobicContact CD1-CB 4.06Å; L732-A767 HydrophobicContact CD2-CB 3.84Å; L732-A767 HydrophobicContact CG-CB 4.46Å; V738-A767 HydrophobicContact CG1-CB 4.28Å; V738-A767 HydrophobicContact CG2-CB 3.94Å; V738-A767 WeakPolarHBondContact CG2-O 3.43Å; K763-A767 WeakPolarHBondContact O-CB 3.29Å; K763-A767 PolarHBondContact O-N 3.05Å; L764-A767 CarbonylContact O-C 3.6Å; L764-A767 PolarHBondContact O-N 3.31Å; L765-A767 PolarHBondContact O-N 3.25Å |
| 768 | G | 93 | Very high | 88.4 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 49% | 0.485 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 28.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N739 L764 L765 D766 S770 | N739-G768 PolarHBondContact ND2-O 3.45Å; L764-G768 PolarHBondContact O-N 2.88Å; L765-G768 PolarHBondContact O-N 3.08Å; D766-G768 VanDerWaalsContact C-N 3.28Å; D766-G768 PolarHBondContact O-N 3.25Å; G768-S770 PolarHBondContact O-N 3.07Å |
| 769 | A | 94 | Very high | 87.9 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | trans | -61 | 134.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V738 L749 L764 L765 V771 | V738-A769 HydrophobicContact CG1-CB 3.88Å; L749-A769 HydrophobicContact CB-CB 4.02Å; L749-A769 HydrophobicContact CD2-CB 4.06Å; L764-A769 HydrophobicContact CB-CB 4.08Å; L764-A769 WeakPolarHBondContact O-CB 3.46Å; L764-A769 PolarHBondContact O-N 3.18Å; L765-A769 HydrophobicContact CD2-CB 4.45Å; A769-V771 PolarHBondContact O-N 3.48Å | ||
| 770 | S | 90.5 | Very high | 87.3 | Confident | 52 Ų | 52 | 54 Ų | 54 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | trans | -70.4 | 102.2 | 178.4 | -62.7 | 0 | 0 | 0 | 0 | 110 | N739 G768 N772 R773 | N739-S770 VanDerWaalsContact OD1-CB 3.29Å; N739-S770 WeakPolarHBondContact OD1-CB 3.43Å; N739-S770 PolarHBondContact OD1-N 3.02Å; N739-S770 PolarHBondContact OD1-OG 2.73Å; G768-S770 PolarHBondContact O-N 3.07Å; S770-N772 VanDerWaalsContact C-N 3.27Å; S770-N772 PolarHBondContact O-N 3.33Å; S770-R773 PolarHBondContact O-N 3.3Å | ||
| 771 | V | 84 | Confident | 86.7 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.1 | -175.9 | 70.1 | 0 | 0 | 0 | 0 | 113.4 | L765 A769 P781 L799 C804 | L765-V771 HydrophobicContact CD2-CB 4.06Å; L765-V771 HydrophobicContact CD2-CG2 4.18Å; A769-V771 PolarHBondContact O-N 3.48Å; V771-P781 WeakPolarHBondContact O-CD 3.29Å; V771-P781 WeakPolarHBondContact O-CG 3.19Å; V771-L799 HydrophobicContact CG2-CD2 4.08Å; V771-C804 HydrophobicContact CG2-CB 3.5Å; V771-C804 VanDerWaalsContact CG2-CB 3.5Å |
| 772 | N | 80.7 | Confident | 86 | Confident | 62 Ų | 62 | 54 Ų | 54 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 9 | -176.4 | -64 | -29.4 | 0 | 0 | 0 | 114.3 | S770 V774 G803 C804 D805 | S770-N772 VanDerWaalsContact C-N 3.27Å; S770-N772 PolarHBondContact O-N 3.33Å; N772-V774 PolarHBondContact O-N 3.49Å; N772-G803 PolarHBondContact ND2-O 3.42Å; N772-C804 VanDerWaalsContact OD1-CA 3.27Å; N772-C804 WeakPolarHBondContact OD1-CA 3.17Å; N772-C804 PolarHBondContact OD1-SG 2.94Å; N772-D805 PolarHBondContact ND2-OD2 2.84Å; N772-D805 PolarHBondContact OD1-N 2.99Å |
| 773 | R | 82 | Confident | 85.1 | Confident | 118 Ų | 118 | 49.1 Ų | 49.1 | 45% | 0.445 | 27% | 0.267 | S | S | . | . | trans | -73.5 | 118.6 | -178.7 | -175.8 | 151.4 | 179.1 | 150.3 | -0.5 | 111 | T747 S770 P781 | T747-R773 HydrophobicContact CG2-CB 4.16Å; T747-R773 HydrophobicContact CG2-CG 3.78Å; S770-R773 PolarHBondContact O-N 3.3Å; R773-P781 WeakPolarHBondContact O-CD 3.46Å | ||
| 774 | V | 80.7 | Confident | 84.2 | Confident | 65 Ų | 65 | 46.9 Ų | 46.9 | 39% | 0.394 | 26% | 0.257 | S | S | . | . | trans | -88.3 | 153.5 | 179.4 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | N772 G778 L779 | N772-V774 PolarHBondContact O-N 3.49Å; V774-G778 WeakPolarHBondContact CG1-O 3.41Å; V774-L779 WeakPolarHBondContact CA-O 3.3Å | ||
| 775 | D | 82.7 | Confident | 83.3 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | trans | -76 | -175.9 | 168.6 | 72.2 | 8.3 | 0 | 0 | 0 | 111.8 | N744 K746 Y750 E777 G778 L779 | N744-D775 WeakPolarHBondContact O-CB 3.21Å; K746-D775 HydrophobicContact CG-CB 3.97Å; Y750-D775 HydrophobicContact CD2-CB 4.47Å; Y750-D775 HydrophobicContact CE2-CB 3.94Å; Y750-D775 WeakPolarHBondContact CE2-OD2 3.32Å; Y750-D775 VanDerWaalsContact CZ-OD2 3.28Å; Y750-D775 PolarHBondContact OH-OD2 2.85Å; D775-E777 PolarHBondContact O-N 3.37Å; D775-E777 WeakPolarHBondContact OD1-CA 3.44Å; D775-E777 WeakPolarHBondContact OD1-CB 3.35Å; D775-E777 PolarHBondContact OD1-N 3.01Å; D775-G778 PolarHBondContact O-N 2.96Å; D775-G778 PolarHBondContact OD1-N 3.25Å; D775-G778 VanDerWaalsContact OD1-N 3.17Å; D775-L779 PolarHBondContact N-O 3.41Å; D775-L779 PolarHBondContact OD1-N 2.94Å | ||
| 776 | R | 79.7 | Confident | 82.2 | Confident | 192 Ų | 192 | 47.3 Ų | 47.3 | 73% | 0.725 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19 | 178.2 | -78.6 | -172.5 | 179.7 | -175.2 | 3.7 | 114.3 | K743 N744 | K743-R776 WeakPolarHBondContact O-CD 3.26Å; K743-R776 PolarHBondContact O-NE 2.81Å; K743-R776 PolarHBondContact O-NH1 2.9Å; K743-R776 PolarHBondContact O-NH2 2.9Å; N744-R776 WeakPolarHBondContact O-CB 3.47Å; N744-R776 WeakPolarHBondContact O-CG 3.13Å; N744-R776 PolarHBondContact O-N 3.21Å |
| 777 | E | 75.3 | Confident | 80.8 | Confident | 151 Ų | 151 | 48.6 Ų | 48.6 | 71% | 0.706 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 1.2 | 174.8 | -63.2 | 177 | -169.9 | 0 | 0 | 111.3 | D775 L779 | D775-E777 PolarHBondContact O-N 3.37Å; D775-E777 WeakPolarHBondContact OD1-CA 3.44Å; D775-E777 WeakPolarHBondContact OD1-CB 3.35Å; D775-E777 PolarHBondContact OD1-N 3.01Å; E777-L779 VanDerWaalsContact C-N 3.27Å; E777-L779 HydrophobicContact CB-CD1 4.11Å; E777-L779 HydrophobicContact CB-CG 4.07Å |
| 778 | G | 73.7 | Confident | 79.6 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 77.9 | 11.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V774 D775 | V774-G778 WeakPolarHBondContact CG1-O 3.41Å; D775-G778 PolarHBondContact O-N 2.96Å; D775-G778 PolarHBondContact OD1-N 3.25Å; D775-G778 VanDerWaalsContact OD1-N 3.17Å |
| 779 | L | 78.6 | Confident | 77.5 | Confident | 33 Ų | 33 | 54 Ų | 54 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | trans | -91.8 | 125.6 | -178.1 | -56.7 | 175 | 0 | 0 | 0 | 110.3 | Y750 V774 D775 E777 H783 M784 | Y750-L779 WeakPolarHBondContact CE2-O 3.49Å; V774-L779 WeakPolarHBondContact CA-O 3.3Å; D775-L779 PolarHBondContact N-O 3.41Å; D775-L779 PolarHBondContact OD1-N 2.94Å; E777-L779 VanDerWaalsContact C-N 3.27Å; E777-L779 HydrophobicContact CB-CD1 4.11Å; E777-L779 HydrophobicContact CB-CG 4.07Å; L779-H783 HydrophobicContact CB-CB 4.43Å; L779-H783 HydrophobicContact CD2-CB 4.44Å; L779-M784 HydrophobicContact CB-CE 3.94Å; L779-M784 HydrophobicContact CD1-CE 3.72Å; L779-M784 HydrophobicContact CG-CE 4.33Å | ||
| 780 | G | 80.6 | Confident | 75.7 | Confident | 5 Ų | 5 | 63 Ų | 63 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | trans | -90.9 | 171.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L782 H783 M784 | G780-L782 VanDerWaalsContact C-N 3.3Å; G780-L782 PolarHBondContact O-N 3.27Å; G780-H783 PolarHBondContact N-ND1 3.33Å; G780-H783 WeakPolarHBondContact O-CB 3.36Å; G780-H783 PolarHBondContact O-N 2.98Å; G780-M784 PolarHBondContact O-N 3.09Å | ||
| 781 | P | 82.3 | Confident | 74.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.6 | -40.9 | 179 | -25.2 | 34.7 | 0 | 0 | 0 | 113.3 | L749 V753 V771 R773 H783 M784 A785 L799 | L749-P781 HydrophobicContact CD2-CG 4.26Å; L749-P781 HydrophobicContact CG-CB 4.48Å; L749-P781 HydrophobicContact CG-CG 4.37Å; V753-P781 VanDerWaalsContact CG1-O 3.3Å; V753-P781 WeakPolarHBondContact CG1-O 3.42Å; V753-P781 HydrophobicContact CG2-CB 4.11Å; V771-P781 WeakPolarHBondContact O-CD 3.29Å; V771-P781 WeakPolarHBondContact O-CG 3.19Å; R773-P781 WeakPolarHBondContact O-CD 3.46Å; P781-H783 VanDerWaalsContact C-N 3.31Å; P781-H783 PolarHBondContact O-N 3.26Å; P781-M784 WeakPolarHBondContact O-CB 3.37Å; P781-M784 PolarHBondContact O-N 3.4Å; P781-M784 VanDerWaalsContact O-N 3.09Å; P781-A785 PolarHBondContact O-N 2.91Å; P781-L799 HydrophobicContact CB-CD1 4.25Å; P781-L799 HydrophobicContact CB-CD2 4.23Å |
| 782 | L | 79.2 | Confident | 73.2 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.5 | -35.1 | 177.7 | -178.9 | 64.8 | 0 | 0 | 0 | 113.1 | G780 M784 A785 V786 V796 L799 L800 C804 P806 | G780-L782 VanDerWaalsContact C-N 3.3Å; G780-L782 PolarHBondContact O-N 3.27Å; L782-M784 VanDerWaalsContact C-N 3.27Å; L782-M784 PolarHBondContact O-N 3.4Å; L782-A785 PolarHBondContact O-N 2.67Å; L782-V786 HydrophobicContact CD1-CG2 4.46Å; L782-V786 WeakPolarHBondContact O-CG2 3.43Å; L782-V786 PolarHBondContact O-N 3.33Å; L782-V786 VanDerWaalsContact O-N 3.08Å; L782-V796 HydrophobicContact CD1-CG1 3.93Å; L782-V796 HydrophobicContact CD1-CG2 4.4Å; L782-L799 HydrophobicContact CB-CD1 4.32Å; L782-L799 HydrophobicContact CD1-CD1 4.42Å; L782-L800 HydrophobicContact CD2-CD2 4.33Å; L782-C804 VanDerWaalsContact CB-SG 3.52Å; L782-P806 HydrophobicContact CD2-CB 4.39Å |
| 783 | H | 75.1 | Confident | 72.8 | Confident | 18 Ų | 18 | 66.4 Ų | 66.4 | 8% | 0.083 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 174.8 | -63.8 | 80 | 0 | 0 | 0 | 110.9 | L779 G780 P781 V786 K787 V807 N808 | L779-H783 HydrophobicContact CB-CB 4.43Å; L779-H783 HydrophobicContact CD2-CB 4.44Å; G780-H783 PolarHBondContact N-ND1 3.33Å; G780-H783 WeakPolarHBondContact O-CB 3.36Å; G780-H783 PolarHBondContact O-N 2.98Å; P781-H783 VanDerWaalsContact C-N 3.31Å; P781-H783 PolarHBondContact O-N 3.26Å; H783-V786 PolarHBondContact O-N 3.28Å; H783-K787 WeakPolarHBondContact O-CB 3.34Å; H783-K787 PolarHBondContact O-N 3.29Å; H783-V807 VanDerWaalsContact CE1-C 3.44Å; H783-V807 PolarHBondContact CE1-O 3.24Å; H783-V807 PolarHBondContact NE2-O 3.35Å; H783-N808 WeakPolarHBondContact NE2-CB 3.37Å |
| 784 | M | 77.5 | Confident | 72.7 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.2 | -42 | 177.9 | -63.9 | -58.5 | 98.7 | 0 | 0 | 111.4 | Y750 V753 L754 L779 G780 P781 L782 V786 K787 F788 L791 | Y750-M784 HydrophobicContact CD2-CG 4.29Å; Y750-M784 HydrophobicContact CE1-CG 3.88Å; Y750-M784 HydrophobicContact CE1-SD 4.35Å; Y750-M784 HydrophobicContact CE2-CG 3.64Å; Y750-M784 HydrophobicContact CE2-SD 4.42Å; Y750-M784 VanDerWaalsContact CZ-CG 3.42Å; Y750-M784 PolarHBondContact OH-SD 3.25Å; Y750-M784 VanDerWaalsContact OH-SD 3.33Å; V753-M784 HydrophobicContact CG1-CB 4.25Å; L754-M784 HydrophobicContact CD1-CG 4.48Å; L754-M784 HydrophobicContact CD1-SD 4.08Å; L779-M784 HydrophobicContact CB-CE 3.94Å; L779-M784 HydrophobicContact CD1-CE 3.72Å; L779-M784 HydrophobicContact CG-CE 4.33Å; G780-M784 PolarHBondContact O-N 3.09Å; P781-M784 WeakPolarHBondContact O-CB 3.37Å; P781-M784 PolarHBondContact O-N 3.4Å; P781-M784 VanDerWaalsContact O-N 3.09Å; L782-M784 VanDerWaalsContact C-N 3.27Å; L782-M784 PolarHBondContact O-N 3.4Å; M784-V786 PolarHBondContact O-N 3.36Å; M784-K787 HydrophobicContact CE-CD 4.02Å; M784-K787 PolarHBondContact O-N 3.09Å; M784-F788 PolarHBondContact O-N 2.88Å; M784-F788 HydrophobicContact SD-CD2 4.45Å; M784-F788 HydrophobicContact SD-CE2 3.82Å; M784-L791 WeakPolarHBondContact O-CD1 3.46Å |
| 785 | A | 76.9 | Confident | 72.7 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.3 | -36.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V753 P781 L782 L791 M795 V796 L799 | V753-A785 HydrophobicContact CG1-CB 3.68Å; P781-A785 PolarHBondContact O-N 2.91Å; L782-A785 PolarHBondContact O-N 2.67Å; A785-L791 WeakPolarHBondContact O-CB 3.44Å; A785-M795 HydrophobicContact CB-CG 4.21Å; A785-V796 HydrophobicContact CB-CG2 3.88Å; A785-L799 HydrophobicContact CB-CD1 3.99Å |
| 786 | V | 70.1 | Confident | 72.4 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -84.5 | -41.7 | -179.5 | 163.8 | 0 | 0 | 0 | 0 | 112.8 | L782 H783 M784 F788 V796 S811 F812 W815 | L782-V786 HydrophobicContact CD1-CG2 4.46Å; L782-V786 WeakPolarHBondContact O-CG2 3.43Å; L782-V786 PolarHBondContact O-N 3.33Å; L782-V786 VanDerWaalsContact O-N 3.08Å; H783-V786 PolarHBondContact O-N 3.28Å; M784-V786 PolarHBondContact O-N 3.36Å; V786-F788 VanDerWaalsContact C-N 3.32Å; V786-F788 PolarHBondContact O-N 3.17Å; V786-V796 HydrophobicContact CG2-CG2 4.44Å; V786-S811 WeakPolarHBondContact CG1-O 3Å; V786-F812 HydrophobicContact CG2-CD2 4.1Å; V786-W815 HydrophobicContact CB-CB 4.35Å; V786-W815 HydrophobicContact CB-CG 4.19Å; V786-W815 HydrophobicContact CG1-CB 3.42Å; V786-W815 VanDerWaalsContact CG1-CB 3.42Å; V786-W815 HydrophobicContact CG1-CG 3.71Å; V786-W815 HydrophobicContact CG2-CB 4.16Å; V786-W815 HydrophobicContact CG2-CD2 4.13Å; V786-W815 HydrophobicContact CG2-CG 3.81Å |
| 787 | K | 67.2 | Low | 72.3 | Confident | 131 Ų | 131 | 55.5 Ų | 55.5 | 57% | 0.57 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.2 | -33.5 | -173.6 | -178.9 | 175.9 | -179.7 | 177.1 | 0 | 112.9 | H783 M784 P789 | H783-K787 WeakPolarHBondContact O-CB 3.34Å; H783-K787 PolarHBondContact O-N 3.29Å; M784-K787 HydrophobicContact CE-CD 4.02Å; M784-K787 PolarHBondContact O-N 3.09Å; K787-P789 WeakPolarHBondContact O-CD 3.48Å |
| 788 | F | 67.2 | Low | 72.6 | Confident | 84 Ų | 84 | 48.5 Ų | 48.5 | 37% | 0.368 | 26% | 0.255 | S | S | . | . | trans | -103.5 | 109.2 | -176.3 | -66.8 | -81.2 | 0 | 0 | 0 | 110.7 | L754 M784 V786 K790 L791 | L754-F788 HydrophobicContact CD1-CD2 3.8Å; L754-F788 HydrophobicContact CD1-CE2 3.36Å; L754-F788 HydrophobicContact CD1-CZ 3.96Å; M784-F788 PolarHBondContact O-N 2.88Å; M784-F788 HydrophobicContact SD-CD2 4.45Å; M784-F788 HydrophobicContact SD-CE2 3.82Å; V786-F788 VanDerWaalsContact C-N 3.32Å; V786-F788 PolarHBondContact O-N 3.17Å; F788-K790 PolarHBondContact O-N 3.06Å; F788-L791 HydrophobicContact CB-CD1 3.73Å; F788-L791 HydrophobicContact CB-CG 4.21Å; F788-L791 WeakPolarHBondContact O-CB 3.39Å; F788-L791 PolarHBondContact O-N 2.91Å | ||
| 789 | P | 50.9 | Low | 72.9 | Confident | 123 Ų | 123 | 46.7 Ų | 46.7 | 80% | 0.799 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -9.3 | -173.8 | 24.1 | -33.5 | 0 | 0 | 0 | 114.5 | K787 L791 | K787-P789 WeakPolarHBondContact O-CD 3.48Å; P789-L791 PolarHBondContact O-N 3.3Å |
| 790 | K | 54.4 | Low | 72.9 | Confident | 198 Ų | 198 | 46.9 Ų | 46.9 | 86% | 0.861 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -2.7 | 172.2 | -64.6 | -174.6 | 179.1 | -179.8 | 0 | 113.1 | F788 | F788-K790 PolarHBondContact O-N 3.06Š|
| 791 | L | 58.9 | Low | 73 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -102.7 | 117.4 | -175.7 | -63.4 | 170 | 0 | 0 | 0 | 110.2 | V753 M784 A785 F788 P789 | V753-L791 WeakPolarHBondContact O-CD1 3.41Å; V753-L791 WeakPolarHBondContact O-CD2 3.46Å; M784-L791 WeakPolarHBondContact O-CD1 3.46Å; A785-L791 WeakPolarHBondContact O-CB 3.44Å; F788-L791 HydrophobicContact CB-CD1 3.73Å; F788-L791 HydrophobicContact CB-CG 4.21Å; F788-L791 WeakPolarHBondContact O-CB 3.39Å; F788-L791 PolarHBondContact O-N 2.91Å; P789-L791 PolarHBondContact O-N 3.3Å |
| 792 | D | 64.2 | Low | 73 | Confident | 118 Ų | 118 | 54.5 Ų | 54.5 | 63% | 0.631 | 27% | 0.271 | S | S | * | . | trans | -72.5 | 149.4 | -172 | -67.8 | -33.5 | 0 | 0 | 0 | 113 | P794 M795 | D792-P794 VanDerWaalsContact C-CD 3.47Å; D792-P794 HydrophobicContact CB-CB 4.49Å; D792-P794 HydrophobicContact CB-CG 3.87Å; D792-M795 WeakPolarHBondContact O-CB 3.4Å; D792-M795 PolarHBondContact O-N 3.26Å | ||
| 793 | I | 71.9 | Confident | 72.8 | Confident | 72 Ų | 72 | 56.1 Ų | 56.1 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -38.6 | -43 | 169.1 | -64.3 | 167.8 | 0 | 0 | 0 | 113 | M795 V796 K797 W815 | I793-M795 VanDerWaalsContact C-N 3.26Å; I793-M795 PolarHBondContact O-N 3.2Å; I793-V796 PolarHBondContact O-N 2.92Å; I793-V796 VanDerWaalsContact O-N 3.17Å; I793-K797 HydrophobicContact CG2-CD 3.9Å; I793-K797 HydrophobicContact CG2-CG 4.06Å; I793-K797 WeakPolarHBondContact O-CG 3.34Å; I793-K797 PolarHBondContact O-N 2.91Å; I793-W815 HydrophobicContact CG1-CH2 4.43Å; I793-W815 HydrophobicContact CG1-CZ2 4.13Å |
| 794 | P | 80 | Confident | 72.7 | Confident | 62 Ų | 62 | 55.7 Ų | 55.7 | 40% | 0.403 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -44.4 | -40.5 | 169.7 | -28.1 | 16.9 | 0 | 0 | 0 | 116.5 | L758 D792 L798 | L758-P794 HydrophobicContact CD1-CB 4.16Å; L758-P794 HydrophobicContact CD2-CB 3.7Å; D792-P794 VanDerWaalsContact C-CD 3.47Å; D792-P794 HydrophobicContact CB-CB 4.49Å; D792-P794 HydrophobicContact CB-CG 3.87Å; P794-L798 WeakPolarHBondContact O-CB 3.07Å; P794-L798 PolarHBondContact O-N 3.17Å |
| 795 | M | 81 | Confident | 72.2 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.5 | -44.8 | 179.8 | -174.9 | 65 | 80 | 0 | 0 | 111.2 | V753 L758 A761 A785 D792 I793 L798 L799 | V753-M795 HydrophobicContact CG1-CG 4.06Å; V753-M795 HydrophobicContact CG2-CE 4.45Å; V753-M795 HydrophobicContact CG2-CG 4.27Å; V753-M795 HydrophobicContact CG2-SD 3.8Å; L758-M795 VanDerWaalsContact CA-CE 3.48Å; L758-M795 HydrophobicContact CB-CE 4.15Å; L758-M795 HydrophobicContact CD1-CB 4.18Å; L758-M795 HydrophobicContact CD1-CE 4.15Å; L758-M795 HydrophobicContact CD1-SD 4Å; A761-M795 HydrophobicContact CB-CE 3.97Å; A761-M795 HydrophobicContact CB-SD 3.71Å; A785-M795 HydrophobicContact CB-CG 4.21Å; D792-M795 WeakPolarHBondContact O-CB 3.4Å; D792-M795 PolarHBondContact O-N 3.26Å; I793-M795 VanDerWaalsContact C-N 3.26Å; I793-M795 PolarHBondContact O-N 3.2Å; M795-L798 PolarHBondContact O-N 3.08Å; M795-L798 HydrophobicContact SD-CD2 4.23Å; M795-L799 HydrophobicContact CG-CD1 4.46Å; M795-L799 WeakPolarHBondContact O-CG 3.38Å; M795-L799 PolarHBondContact O-N 3.38Å |
| 796 | V | 76.1 | Confident | 71.4 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 175.9 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | L782 A785 V786 I793 L798 L799 L800 F812 W815 | L782-V796 HydrophobicContact CD1-CG1 3.93Å; L782-V796 HydrophobicContact CD1-CG2 4.4Å; A785-V796 HydrophobicContact CB-CG2 3.88Å; V786-V796 HydrophobicContact CG2-CG2 4.44Å; I793-V796 PolarHBondContact O-N 2.92Å; I793-V796 VanDerWaalsContact O-N 3.17Å; V796-L798 VanDerWaalsContact C-N 3.3Å; V796-L798 PolarHBondContact O-N 2.96Å; V796-L799 PolarHBondContact O-N 3.39Å; V796-L800 HydrophobicContact CG1-CD1 3.89Å; V796-L800 HydrophobicContact CG1-CG 4.39Å; V796-L800 WeakPolarHBondContact O-CG 3.47Å; V796-L800 PolarHBondContact O-N 3.33Å; V796-F812 HydrophobicContact CG1-CE2 4.35Å; V796-W815 HydrophobicContact CB-CH2 4.15Å; V796-W815 HydrophobicContact CB-CZ2 4.22Å; V796-W815 HydrophobicContact CG1-CH2 3.89Å; V796-W815 HydrophobicContact CG1-CZ2 4.35Å; V796-W815 HydrophobicContact CG1-CZ3 4.13Å; V796-W815 HydrophobicContact CG2-CH2 4.23Å; V796-W815 HydrophobicContact CG2-CZ2 3.84Å |
| 797 | K | 76.7 | Confident | 70.5 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 37% | 0.37 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.6 | -45.3 | 174.9 | -73.8 | -177.1 | 173.9 | -175.8 | 0 | 111.6 | I793 L800 N801 H877 | I793-K797 HydrophobicContact CG2-CD 3.9Å; I793-K797 HydrophobicContact CG2-CG 4.06Å; I793-K797 WeakPolarHBondContact O-CG 3.34Å; I793-K797 PolarHBondContact O-N 2.91Å; K797-L800 PolarHBondContact O-N 2.96Å; K797-N801 WeakPolarHBondContact O-CB 3.2Å; K797-N801 PolarHBondContact O-N 3.48Å; K797-N801 PolarHBondContact O-OD1 3.43Å; K797-N801 VanDerWaalsContact O-OD1 3.08Å; K797-H877 WeakPolarHBondContact CE-NE2 3.01Å; K797-H877 PolarHBondContact NZ-NE2 3.42Å |
| 798 | L | 82.3 | Confident | 69.7 | Low | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 178.2 | 176.2 | 139.6 | 0 | 0 | 0 | 111.6 | L758 A761 R762 L765 P794 M795 V796 N801 Y802 | L758-L798 HydrophobicContact CD1-CB 4.22Å; L758-L798 HydrophobicContact CD1-CD1 3.97Å; A761-L798 HydrophobicContact CB-CD2 4Å; R762-L798 HydrophobicContact CB-CD1 3.72Å; R762-L798 HydrophobicContact CG-CD1 4.27Å; L765-L798 HydrophobicContact CD1-CD2 3.28Å; L765-L798 HydrophobicContact CD1-CG 4.07Å; P794-L798 WeakPolarHBondContact O-CB 3.07Å; P794-L798 PolarHBondContact O-N 3.17Å; M795-L798 PolarHBondContact O-N 3.08Å; M795-L798 HydrophobicContact SD-CD2 4.23Å; V796-L798 VanDerWaalsContact C-N 3.3Å; V796-L798 PolarHBondContact O-N 2.96Å; L798-N801 PolarHBondContact O-N 3.45Å; L798-Y802 VanDerWaalsContact O-CD2 3.29Å; L798-Y802 WeakPolarHBondContact O-CD2 3.42Å; L798-Y802 PolarHBondContact O-N 2.98Å |
| 799 | L | 80.8 | Confident | 69 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63 | -44.7 | 178.3 | -67.7 | 171.9 | 0 | 0 | 0 | 112.2 | L749 V753 L765 V771 P781 L782 A785 M795 V796 N801 Y802 C804 | L749-L799 HydrophobicContact CD1-CD2 4.3Å; L749-L799 HydrophobicContact CD2-CD2 4.35Å; V753-L799 HydrophobicContact CG1-CD1 4.3Å; V753-L799 HydrophobicContact CG2-CD1 4.04Å; V753-L799 HydrophobicContact CG2-CD2 4.1Å; V753-L799 HydrophobicContact CG2-CG 4.47Å; L765-L799 HydrophobicContact CD1-CD2 4.4Å; V771-L799 HydrophobicContact CG2-CD2 4.08Å; P781-L799 HydrophobicContact CB-CD1 4.25Å; P781-L799 HydrophobicContact CB-CD2 4.23Å; L782-L799 HydrophobicContact CB-CD1 4.32Å; L782-L799 HydrophobicContact CD1-CD1 4.42Å; A785-L799 HydrophobicContact CB-CD1 3.99Å; M795-L799 HydrophobicContact CG-CD1 4.46Å; M795-L799 WeakPolarHBondContact O-CG 3.38Å; M795-L799 PolarHBondContact O-N 3.38Å; V796-L799 PolarHBondContact O-N 3.39Å; L799-N801 VanDerWaalsContact C-N 3.31Å; L799-N801 PolarHBondContact O-N 3.1Å; L799-Y802 PolarHBondContact O-N 3.08Å; L799-C804 HydrophobicContact CB-CB 3.99Å; L799-C804 WeakPolarHBondContact O-CB 3.01Å; L799-C804 PolarHBondContact O-N 2.8Å; L799-C804 VanDerWaalsContact O-N 3.1Å |
| 800 | L | 78.7 | Confident | 69 | Low | 38 Ų | 38 | 53.1 Ų | 53.1 | 20% | 0.199 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 177.9 | -68.2 | 173.2 | 0 | 0 | 0 | 112 | L782 V796 K797 Y802 G803 | L782-L800 HydrophobicContact CD2-CD2 4.33Å; V796-L800 HydrophobicContact CG1-CD1 3.89Å; V796-L800 HydrophobicContact CG1-CG 4.39Å; V796-L800 WeakPolarHBondContact O-CG 3.47Å; V796-L800 PolarHBondContact O-N 3.33Å; K797-L800 PolarHBondContact O-N 2.96Å; L800-Y802 PolarHBondContact O-N 2.88Å; L800-G803 PolarHBondContact O-N 3.26Å |
| 801 | N | 80.9 | Confident | 69 | Low | 83 Ų | 83 | 46 Ų | 46 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.5 | -27.6 | 177.7 | -72.4 | 1.7 | 0 | 0 | 0 | 113.5 | K797 L798 L799 G803 Y881 | K797-N801 WeakPolarHBondContact O-CB 3.2Å; K797-N801 PolarHBondContact O-N 3.48Å; K797-N801 PolarHBondContact O-OD1 3.43Å; K797-N801 VanDerWaalsContact O-OD1 3.08Å; L798-N801 PolarHBondContact O-N 3.45Å; L799-N801 VanDerWaalsContact C-N 3.31Å; L799-N801 PolarHBondContact O-N 3.1Å; N801-G803 VanDerWaalsContact C-N 3.3Å; N801-Y881 WeakPolarHBondContact OD1-CE1 3.27Å; N801-Y881 PolarHBondContact OD1-OH 3.47Å |
| 802 | Y | 83.7 | Confident | 68.9 | Low | 81 Ų | 81 | 47 Ų | 47 | 32% | 0.318 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 14.7 | 174.8 | -73.7 | -104.8 | 0 | 0 | 0 | 112.5 | L765 D766 L798 L799 L800 | L765-Y802 HydrophobicContact CB-CD1 3.64Å; L765-Y802 HydrophobicContact CB-CD2 4.26Å; L765-Y802 HydrophobicContact CB-CE1 3.58Å; L765-Y802 HydrophobicContact CB-CE2 4.21Å; L765-Y802 HydrophobicContact CB-CG 3.98Å; L765-Y802 HydrophobicContact CD1-CD1 4.37Å; L765-Y802 HydrophobicContact CD1-CD2 3.66Å; L765-Y802 HydrophobicContact CD1-CE2 4.03Å; L765-Y802 HydrophobicContact CD1-CG 3.83Å; L765-Y802 HydrophobicContact CD2-CD1 4.33Å; L765-Y802 HydrophobicContact CD2-CG 4.17Å; L765-Y802 HydrophobicContact CG-CD1 4.34Å; L765-Y802 HydrophobicContact CG-CD2 4.47Å; L765-Y802 HydrophobicContact CG-CG 4.23Å; D766-Y802 PolarHBondContact OD1-OH 3.06Å; L798-Y802 VanDerWaalsContact O-CD2 3.29Å; L798-Y802 WeakPolarHBondContact O-CD2 3.42Å; L798-Y802 PolarHBondContact O-N 2.98Å; L799-Y802 PolarHBondContact O-N 3.08Å; L800-Y802 PolarHBondContact O-N 2.88Å |
| 803 | G | 74.9 | Confident | 68.5 | Low | 39 Ų | 39 | 42.4 Ų | 42.4 | 40% | 0.402 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 33 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N772 L800 N801 D805 | N772-G803 PolarHBondContact ND2-O 3.42Å; L800-G803 PolarHBondContact O-N 3.26Å; N801-G803 VanDerWaalsContact C-N 3.3Å; G803-D805 PolarHBondContact O-N 2.79Å |
| 804 | C | 71.7 | Confident | 67.8 | Low | 9 Ų | 9 | 44.6 Ų | 44.6 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | trans | -62.5 | 122.8 | 171.6 | -164.8 | 0 | 0 | 0 | 0 | 110.6 | V771 N772 L782 L799 | V771-C804 HydrophobicContact CG2-CB 3.5Å; V771-C804 VanDerWaalsContact CG2-CB 3.5Å; N772-C804 VanDerWaalsContact OD1-CA 3.27Å; N772-C804 WeakPolarHBondContact OD1-CA 3.17Å; N772-C804 PolarHBondContact OD1-SG 2.94Å; L782-C804 VanDerWaalsContact CB-SG 3.52Å; L799-C804 HydrophobicContact CB-CB 3.99Å; L799-C804 WeakPolarHBondContact O-CB 3.01Å; L799-C804 PolarHBondContact O-N 2.8Å; L799-C804 VanDerWaalsContact O-N 3.1Å | ||
| 805 | D | 67.8 | Low | 66.9 | Low | 73 Ų | 73 | 42.7 Ų | 42.7 | 39% | 0.39 | 23% | 0.228 | S | C | . | . | trans | -70.3 | 129.3 | 173.1 | -69.8 | -38.8 | 0 | 0 | 0 | 108.5 | N772 G803 V807 | N772-D805 PolarHBondContact ND2-OD2 2.84Å; N772-D805 PolarHBondContact OD1-N 2.99Å; G803-D805 PolarHBondContact O-N 2.79Å; D805-V807 HydrophobicContact CB-CG2 3.86Å; D805-V807 PolarHBondContact O-N 2.97Å | ||
| 806 | P | 59.9 | Low | 66.1 | Low | 56 Ų | 56 | 43.5 Ų | 43.5 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | trans | -71.5 | 78.7 | 173.6 | 29.8 | -33.3 | 0 | 0 | 0 | 109.5 | L782 L809 F812 | L782-P806 HydrophobicContact CD2-CB 4.39Å; P806-L809 HydrophobicContact CB-CD1 4.27Å; P806-L809 HydrophobicContact CG-CD1 4.43Å; P806-L809 WeakPolarHBondContact O-CD1 3.23Å; P806-F812 HydrophobicContact CB-CD1 4.23Å; P806-F812 HydrophobicContact CB-CE1 4.37Å | ||
| 807 | V | 51.7 | Low | 65.1 | Low | 74 Ų | 74 | 44.8 Ų | 44.8 | 45% | 0.448 | 24% | 0.239 | S | C | . | . | trans | -87.5 | 142.3 | 175.3 | -176.2 | 0 | 0 | 0 | 0 | 109 | H783 D805 | H783-V807 VanDerWaalsContact CE1-C 3.44Å; H783-V807 PolarHBondContact CE1-O 3.24Å; H783-V807 PolarHBondContact NE2-O 3.35Å; D805-V807 HydrophobicContact CB-CG2 3.86Å; D805-V807 PolarHBondContact O-N 2.97Å | ||
| 808 | N | 50 | Low | 64.3 | Low | 55 Ų | 55 | 46.2 Ų | 46.2 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 55.3 | 73.2 | -162.4 | -156.6 | -13.7 | 0 | 0 | 0 | 114.4 | H783 A810 S811 | H783-N808 WeakPolarHBondContact NE2-CB 3.37Å; N808-A810 PolarHBondContact O-N 3.29Å; N808-A810 VanDerWaalsContact O-N 3.07Å; N808-S811 PolarHBondContact O-N 2.78Å |
| 809 | L | 51.9 | Low | 63.3 | Low | 37 Ų | 37 | 50.2 Ų | 50.2 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.6 | -27.9 | -176.8 | -140 | 83.3 | 0 | 0 | 0 | 111.8 | P806 F812 T813 L847 C851 | P806-L809 HydrophobicContact CB-CD1 4.27Å; P806-L809 HydrophobicContact CG-CD1 4.43Å; P806-L809 WeakPolarHBondContact O-CD1 3.23Å; L809-F812 PolarHBondContact O-N 3.16Å; L809-T813 VanDerWaalsContact O-CB 3.24Å; L809-T813 WeakPolarHBondContact O-CB 3.35Å; L809-T813 PolarHBondContact O-N 2.93Å; L809-T813 PolarHBondContact O-OG1 3.46Å; L809-L847 HydrophobicContact CB-CB 3.93Å; L809-L847 HydrophobicContact CB-CD2 3.22Å; L809-L847 HydrophobicContact CB-CG 3.99Å; L809-L847 HydrophobicContact CD2-CB 3.58Å; L809-L847 HydrophobicContact CD2-CD2 3.57Å; L809-L847 HydrophobicContact CD2-CG 3.53Å; L809-L847 HydrophobicContact CG-CB 4.27Å; L809-L847 HydrophobicContact CG-CD2 3.5Å; L809-L847 VanDerWaalsContact CG-CD2 3.5Å; L809-L847 HydrophobicContact CG-CG 4.07Å; L809-L847 WeakPolarHBondContact O-CD2 3.45Å; L809-C851 HydrophobicContact CD2-CB 4.42Å; L809-C851 VanDerWaalsContact CD2-SG 3.56Å |
| 810 | A | 51.5 | Low | 62.1 | Low | 13 Ų | 13 | 53 Ų | 53 | 11% | 0.107 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.4 | -43.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N808 R814 | N808-A810 PolarHBondContact O-N 3.29Å; N808-A810 VanDerWaalsContact O-N 3.07Å; A810-R814 PolarHBondContact O-N 3.04Å |
| 811 | S | 54.1 | Low | 61 | Low | 49 Ų | 49 | 52.7 Ų | 52.7 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 176.8 | -66.1 | 0 | 0 | 0 | 0 | 111.1 | V786 N808 R814 W815 | V786-S811 WeakPolarHBondContact CG1-O 3Å; N808-S811 PolarHBondContact O-N 2.78Å; S811-R814 PolarHBondContact O-N 3.12Å; S811-W815 PolarHBondContact O-N 3.31Å |
| 812 | F | 57.5 | Low | 59.6 | Low | 32 Ų | 32 | 51.2 Ų | 51.2 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 176.7 | -173.2 | -114.5 | 0 | 0 | 0 | 112 | V786 V796 P806 L809 W815 L816 | V786-F812 HydrophobicContact CG2-CD2 4.1Å; V796-F812 HydrophobicContact CG1-CE2 4.35Å; P806-F812 HydrophobicContact CB-CD1 4.23Å; P806-F812 HydrophobicContact CB-CE1 4.37Å; L809-F812 PolarHBondContact O-N 3.16Å; F812-W815 HydrophobicContact CD2-CE3 4.42Å; F812-W815 HydrophobicContact CE2-CE3 4.13Å; F812-W815 HydrophobicContact CE2-CZ3 4.35Å; F812-W815 WeakPolarHBondContact O-CB 3.5Å; F812-W815 PolarHBondContact O-N 3.44Å; F812-W815 VanDerWaalsContact O-N 3.16Å; F812-L816 HydrophobicContact CD1-CD1 3.92Å; F812-L816 HydrophobicContact CD1-CG 4.33Å; F812-L816 HydrophobicContact CE1-CD1 3.69Å; F812-L816 HydrophobicContact CE1-CD2 4.27Å; F812-L816 HydrophobicContact CE1-CG 4.11Å; F812-L816 HydrophobicContact CZ-CD1 4.32Å; F812-L816 HydrophobicContact CZ-CD2 4.06Å; F812-L816 HydrophobicContact CZ-CG 4.29Å; F812-L816 WeakPolarHBondContact O-CG 3.45Å; F812-L816 PolarHBondContact O-N 3.07Å |
| 813 | T | 56 | Low | 57.9 | Low | 22 Ų | 22 | 49.8 Ų | 49.8 | 14% | 0.135 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.9 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | L809 W815 L816 L817 L847 | L809-T813 VanDerWaalsContact O-CB 3.24Å; L809-T813 WeakPolarHBondContact O-CB 3.35Å; L809-T813 PolarHBondContact O-N 2.93Å; L809-T813 PolarHBondContact O-OG1 3.46Å; T813-W815 PolarHBondContact O-N 2.82Å; T813-L816 PolarHBondContact O-N 3.45Å; T813-L817 HydrophobicContact CG2-CD1 4.19Å; T813-L817 VanDerWaalsContact O-CG 3.31Å; T813-L817 WeakPolarHBondContact O-CG 3.33Å; T813-L817 PolarHBondContact O-N 2.83Å; T813-L817 VanDerWaalsContact O-N 3.08Å; T813-L847 VanDerWaalsContact OG1-CD2 3.26Å; T813-L847 WeakPolarHBondContact OG1-CD2 3.43Å |
| 814 | R | 56.9 | Low | 56.6 | Low | 119 Ų | 119 | 54.1 Ų | 54.1 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.2 | -39 | 173.8 | -174.8 | 178.5 | -88.8 | 126.5 | -6.7 | 111.5 | A810 S811 L817 V818 | A810-R814 PolarHBondContact O-N 3.04Å; S811-R814 PolarHBondContact O-N 3.12Å; R814-L817 PolarHBondContact O-N 3.39Å; R814-V818 HydrophobicContact CG-CG2 4.38Å; R814-V818 WeakPolarHBondContact O-CB 3.44Å; R814-V818 VanDerWaalsContact O-CG2 3.27Å; R814-V818 WeakPolarHBondContact O-CG2 3.4Å; R814-V818 PolarHBondContact O-N 3.18Å |
| 815 | W | 60.8 | Low | 55.6 | Low | 21 Ų | 21 | 61.7 Ų | 61.7 | 8% | 0.08 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 175.8 | -175.6 | 89 | 0 | 0 | 0 | 113.2 | V786 I793 V796 S811 F812 T813 L817 V818 H819 I821 | V786-W815 HydrophobicContact CB-CB 4.35Å; V786-W815 HydrophobicContact CB-CG 4.19Å; V786-W815 HydrophobicContact CG1-CB 3.42Å; V786-W815 VanDerWaalsContact CG1-CB 3.42Å; V786-W815 HydrophobicContact CG1-CG 3.71Å; V786-W815 HydrophobicContact CG2-CB 4.16Å; V786-W815 HydrophobicContact CG2-CD2 4.13Å; V786-W815 HydrophobicContact CG2-CG 3.81Å; I793-W815 HydrophobicContact CG1-CH2 4.43Å; I793-W815 HydrophobicContact CG1-CZ2 4.13Å; V796-W815 HydrophobicContact CB-CH2 4.15Å; V796-W815 HydrophobicContact CB-CZ2 4.22Å; V796-W815 HydrophobicContact CG1-CH2 3.89Å; V796-W815 HydrophobicContact CG1-CZ2 4.35Å; V796-W815 HydrophobicContact CG1-CZ3 4.13Å; V796-W815 HydrophobicContact CG2-CH2 4.23Å; V796-W815 HydrophobicContact CG2-CZ2 3.84Å; S811-W815 PolarHBondContact O-N 3.31Å; F812-W815 HydrophobicContact CD2-CE3 4.42Å; F812-W815 HydrophobicContact CE2-CE3 4.13Å; F812-W815 HydrophobicContact CE2-CZ3 4.35Å; F812-W815 WeakPolarHBondContact O-CB 3.5Å; F812-W815 PolarHBondContact O-N 3.44Å; F812-W815 VanDerWaalsContact O-N 3.16Å; T813-W815 PolarHBondContact O-N 2.82Å; W815-L817 PolarHBondContact O-N 3.38Å; W815-V818 PolarHBondContact O-N 3.28Å; W815-H819 AromaticContact CD1-CD2 3.44Å; W815-H819 VanDerWaalsContact CD1-CD2 3.44Å; W815-H819 AromaticContact CD1-NE2 3.58Å; W815-H819 AromaticContact CD2-CD2 3.72Å; W815-H819 AromaticContact CE2-CD2 3.32Å; W815-H819 AromaticContact CE2-NE2 3.71Å; W815-H819 AromaticContact CG-CD2 3.77Å; W815-H819 AromaticContact CZ2-CD2 3.87Å; W815-H819 AromaticContact NE1-CD2 3.16Å; W815-H819 PolarHBondContact NE1-CD2 3.01Å; W815-H819 AromaticContact NE1-NE2 3.12Å; W815-H819 PolarHBondContact NE1-NE2 3.23Å; W815-H819 VanDerWaalsContact NE1-NE2 3.12Å; W815-H819 WeakPolarHBondContact O-CB 3.46Å; W815-H819 PolarHBondContact O-CD2 2.98Å; W815-H819 VanDerWaalsContact O-CD2 3.31Å; W815-H819 PolarHBondContact O-N 2.86Å; W815-I821 HydrophobicContact CE3-CD1 4.05Å; W815-I821 HydrophobicContact CH2-CD1 3.65Å; W815-I821 HydrophobicContact CZ3-CD1 3.27Å |
| 816 | L | 63.3 | Low | 54.7 | Low | 23 Ų | 23 | 62.1 Ų | 62.1 | 12% | 0.12 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.1 | -36.2 | 175.4 | -69.2 | 173.4 | 0 | 0 | 0 | 111.9 | F812 T813 G820 I821 I822 | F812-L816 HydrophobicContact CD1-CD1 3.92Å; F812-L816 HydrophobicContact CD1-CG 4.33Å; F812-L816 HydrophobicContact CE1-CD1 3.69Å; F812-L816 HydrophobicContact CE1-CD2 4.27Å; F812-L816 HydrophobicContact CE1-CG 4.11Å; F812-L816 HydrophobicContact CZ-CD1 4.32Å; F812-L816 HydrophobicContact CZ-CD2 4.06Å; F812-L816 HydrophobicContact CZ-CG 4.29Å; F812-L816 WeakPolarHBondContact O-CG 3.45Å; F812-L816 PolarHBondContact O-N 3.07Å; T813-L816 PolarHBondContact O-N 3.45Å; L816-G820 PolarHBondContact O-N 3.3Å; L816-I821 HydrophobicContact CB-CB 4.4Å; L816-I821 HydrophobicContact CD2-CB 3.91Å; L816-I821 HydrophobicContact CD2-CD1 3.77Å; L816-I821 HydrophobicContact CD2-CG1 4.45Å; L816-I821 HydrophobicContact CD2-CG2 3.72Å; L816-I821 WeakPolarHBondContact O-CA 3.49Å; L816-I821 WeakPolarHBondContact O-CB 3.37Å; L816-I821 PolarHBondContact O-N 3.19Å; L816-I822 HydrophobicContact CB-CD1 3.68Å; L816-I822 HydrophobicContact CB-CG1 4.01Å; L816-I822 HydrophobicContact CD1-CD1 3.78Å; L816-I822 HydrophobicContact CG-CD1 4.37Å; L816-I822 PolarHBondContact O-N 2.77Å; L816-I822 VanDerWaalsContact O-N 3.16Å |
| 817 | L | 57 | Low | 53.9 | Low | 29 Ų | 29 | 62.1 Ų | 62.1 | 15% | 0.152 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -73.4 | -50.5 | 177.6 | -67 | 167.1 | 0 | 0 | 0 | 112.9 | T813 R814 W815 H819 G820 I822 I827 | T813-L817 HydrophobicContact CG2-CD1 4.19Å; T813-L817 VanDerWaalsContact O-CG 3.31Å; T813-L817 WeakPolarHBondContact O-CG 3.33Å; T813-L817 PolarHBondContact O-N 2.83Å; T813-L817 VanDerWaalsContact O-N 3.08Å; R814-L817 PolarHBondContact O-N 3.39Å; W815-L817 PolarHBondContact O-N 3.38Å; L817-H819 PolarHBondContact O-N 3.39Å; L817-G820 PolarHBondContact O-N 3.02Å; L817-I822 HydrophobicContact CD2-CB 3.69Å; L817-I822 HydrophobicContact CD2-CG2 3.61Å; L817-I827 HydrophobicContact CD1-CD1 3.23Å; L817-I827 HydrophobicContact CD2-CD1 3.14Å; L817-I827 HydrophobicContact CD2-CG1 4.26Å; L817-I827 HydrophobicContact CG-CD1 3.74Å |
| 818 | V | 59.1 | Low | 53.1 | Low | 114 Ų | 114 | 65.1 Ų | 65.1 | 69% | 0.691 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.7 | -33.3 | 179.4 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | R814 W815 | R814-V818 HydrophobicContact CG-CG2 4.38Å; R814-V818 WeakPolarHBondContact O-CB 3.44Å; R814-V818 VanDerWaalsContact O-CG2 3.27Å; R814-V818 WeakPolarHBondContact O-CG2 3.4Å; R814-V818 PolarHBondContact O-N 3.18Å; W815-V818 PolarHBondContact O-N 3.28Å |
| 819 | H | 60.5 | Low | 53.2 | Low | 87 Ų | 87 | 65.9 Ų | 65.9 | 40% | 0.403 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 7.7 | 177.5 | -72.7 | -74.3 | 0 | 0 | 0 | 114.4 | W815 L817 I821 | W815-H819 AromaticContact CD1-CD2 3.44Å; W815-H819 VanDerWaalsContact CD1-CD2 3.44Å; W815-H819 AromaticContact CD1-NE2 3.58Å; W815-H819 AromaticContact CD2-CD2 3.72Å; W815-H819 AromaticContact CE2-CD2 3.32Å; W815-H819 AromaticContact CE2-NE2 3.71Å; W815-H819 AromaticContact CG-CD2 3.77Å; W815-H819 AromaticContact CZ2-CD2 3.87Å; W815-H819 AromaticContact NE1-CD2 3.16Å; W815-H819 PolarHBondContact NE1-CD2 3.01Å; W815-H819 AromaticContact NE1-NE2 3.12Å; W815-H819 PolarHBondContact NE1-NE2 3.23Å; W815-H819 VanDerWaalsContact NE1-NE2 3.12Å; W815-H819 WeakPolarHBondContact O-CB 3.46Å; W815-H819 PolarHBondContact O-CD2 2.98Å; W815-H819 VanDerWaalsContact O-CD2 3.31Å; W815-H819 PolarHBondContact O-N 2.86Å; L817-H819 PolarHBondContact O-N 3.39Å; H819-I821 HydrophobicContact CB-CD1 4.12Å; H819-I821 HydrophobicContact CB-CG1 4.25Å; H819-I821 PolarHBondContact O-N 3.28Å |
| 820 | G | 56.3 | Low | 52.9 | Low | 58 Ų | 58 | 68.5 Ų | 68.5 | 60% | 0.598 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 19.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | L816 L817 I822 | L816-G820 PolarHBondContact O-N 3.3Å; L817-G820 PolarHBondContact O-N 3.02Å; G820-I822 VanDerWaalsContact C-N 3.29Å |
| 821 | I | 56.3 | Low | 52.8 | Low | 32 Ų | 32 | 75 Ų | 75 | 16% | 0.164 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -73.2 | -30.6 | 174.7 | -58.7 | 165.2 | 0 | 0 | 0 | 109.5 | W815 L816 H819 L878 | W815-I821 HydrophobicContact CE3-CD1 4.05Å; W815-I821 HydrophobicContact CH2-CD1 3.65Å; W815-I821 HydrophobicContact CZ3-CD1 3.27Å; L816-I821 HydrophobicContact CB-CB 4.4Å; L816-I821 HydrophobicContact CD2-CB 3.91Å; L816-I821 HydrophobicContact CD2-CD1 3.77Å; L816-I821 HydrophobicContact CD2-CG1 4.45Å; L816-I821 HydrophobicContact CD2-CG2 3.72Å; L816-I821 WeakPolarHBondContact O-CA 3.49Å; L816-I821 WeakPolarHBondContact O-CB 3.37Å; L816-I821 PolarHBondContact O-N 3.19Å; H819-I821 HydrophobicContact CB-CD1 4.12Å; H819-I821 HydrophobicContact CB-CG1 4.25Å; H819-I821 PolarHBondContact O-N 3.28Å; I821-L878 HydrophobicContact CG2-CD1 3.91Å |
| 822 | I | 50.7 | Low | 52.5 | Low | 52 Ų | 52 | 80.1 Ų | 80.1 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -111.9 | 126.7 | 165.6 | -61.9 | 168.1 | 0 | 0 | 0 | 107.3 | L816 L817 G820 C826 | L816-I822 HydrophobicContact CB-CD1 3.68Å; L816-I822 HydrophobicContact CB-CG1 4.01Å; L816-I822 HydrophobicContact CD1-CD1 3.78Å; L816-I822 HydrophobicContact CG-CD1 4.37Å; L816-I822 PolarHBondContact O-N 2.77Å; L816-I822 VanDerWaalsContact O-N 3.16Å; L817-I822 HydrophobicContact CD2-CB 3.69Å; L817-I822 HydrophobicContact CD2-CG2 3.61Å; G820-I822 VanDerWaalsContact C-N 3.29Å; I822-C826 HydrophobicContact CG2-CB 4.28Å |
| 823 | P | 49 | Very low | 51.8 | Low | 51 Ų | 51 | 80.6 Ų | 80.6 | 33% | 0.331 | 44% | 0.44 | S | S | . | . | trans | -61.9 | 138.1 | 178.1 | -20.2 | 30.6 | 0 | 0 | 0 | 112.8 | E825 C826 | P823-E825 PolarHBondContact O-N 3.08Å; P823-C826 WeakPolarHBondContact O-CB 3.27Å; P823-C826 PolarHBondContact O-N 3.39Å | ||
| 824 | E | 47.4 | Very low | 51.2 | Low | 131 Ų | 131 | 82.4 Ų | 82.4 | 61% | 0.612 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -58.6 | -28.3 | 174.7 | -74.2 | -169.6 | 157.8 | 0 | 0 | 112.4 | C826 I827 H828 | E824-C826 PolarHBondContact O-N 3.16Å; E824-C826 VanDerWaalsContact O-N 3.1Å; E824-I827 WeakPolarHBondContact O-CB 3.5Å; E824-I827 PolarHBondContact O-N 3.2Å; E824-H828 PolarHBondContact O-CD2 3.37Å; E824-H828 PolarHBondContact O-N 2.97Å |
| 825 | E | 50.3 | Low | 50.7 | Low | 168 Ų | 168 | 83 Ų | 83 | 79% | 0.785 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -56.2 | -23.9 | 173.9 | -61.8 | 178.4 | -162.7 | 0 | 0 | 113.6 | P823 I827 | P823-E825 PolarHBondContact O-N 3.08Å; E825-I827 PolarHBondContact O-N 2.88Å |
| 826 | C | 47.8 | Very low | 49.9 | Very low | 81 Ų | 81 | 84.5 Ų | 84.5 | 55% | 0.547 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -74.8 | -6.8 | 173.6 | -61.9 | 0 | 0 | 0 | 0 | 113.9 | I822 P823 E824 | I822-C826 HydrophobicContact CG2-CB 4.28Å; P823-C826 WeakPolarHBondContact O-CB 3.27Å; P823-C826 PolarHBondContact O-N 3.39Å; E824-C826 PolarHBondContact O-N 3.16Å; E824-C826 VanDerWaalsContact O-N 3.1Å |
| 827 | I | 43.5 | Very low | 48.9 | Very low | 56 Ų | 56 | 84.8 Ų | 84.8 | 29% | 0.287 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | -27 | -174.5 | -69.9 | 171.2 | 0 | 0 | 0 | 113.2 | L817 E824 E825 G829 L833 | L817-I827 HydrophobicContact CD1-CD1 3.23Å; L817-I827 HydrophobicContact CD2-CD1 3.14Å; L817-I827 HydrophobicContact CD2-CG1 4.26Å; L817-I827 HydrophobicContact CG-CD1 3.74Å; E824-I827 WeakPolarHBondContact O-CB 3.5Å; E824-I827 PolarHBondContact O-N 3.2Å; E825-I827 PolarHBondContact O-N 2.88Å; I827-G829 PolarHBondContact O-N 3.38Å; I827-L833 HydrophobicContact CB-CD2 4.47Å; I827-L833 HydrophobicContact CG1-CD2 4.01Å; I827-L833 HydrophobicContact CG2-CD2 4.1Å |
| 828 | H | 36.4 | Very low | 48.2 | Very low | 138 Ų | 138 | 92.8 Ų | 92.8 | 64% | 0.639 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 97.8 | -178.7 | -67.5 | -50 | 0 | 0 | 0 | 111 | E824 | E824-H828 PolarHBondContact O-CD2 3.37Å; E824-H828 PolarHBondContact O-N 2.97Å |
| 829 | G | 50.7 | Low | 47.3 | Very low | 71 Ų | 71 | 97.1 Ų | 97.1 | 73% | 0.732 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 158.3 | -29.1 | 174 | 0 | 0 | 0 | 0 | 0 | 116.5 | I827 | I827-G829 PolarHBondContact O-N 3.38Š|
| 830 | D | 45.8 | Very low | 46.5 | Very low | 92 Ų | 92 | 93.7 Ų | 93.7 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | trans | -109.7 | 96.1 | -172.2 | -74.9 | -22.4 | 0 | 0 | 0 | 111.7 | E832 L833 A834 | D830-E832 HydrophobicContact CB-CB 4.39Å; D830-E832 PolarHBondContact O-N 3.15Å; D830-E832 VanDerWaalsContact O-N 3.15Å; D830-L833 HydrophobicContact CB-CB 3.79Å; D830-L833 WeakPolarHBondContact O-CB 3.26Å; D830-L833 PolarHBondContact O-N 2.84Å; D830-A834 PolarHBondContact O-N 2.87Å | ||
| 831 | D | 50.4 | Low | 45.7 | Very low | 149 Ų | 149 | 97.5 Ų | 97.5 | 80% | 0.797 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -53.1 | -27.9 | 161.7 | -80.2 | -30.1 | 0 | 0 | 0 | 110.8 | Q835 | D831-Q835 WeakPolarHBondContact O-CB 3.24Å; D831-Q835 PolarHBondContact O-N 2.8Å |
| 832 | E | 46.9 | Very low | 45.1 | Very low | 156 Ų | 156 | 101.7 Ų | 101.7 | 73% | 0.729 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.2 | -43.3 | 168.1 | -81.5 | -169 | 160.1 | 0 | 0 | 112.7 | D830 A834 Q835 W836 | D830-E832 HydrophobicContact CB-CB 4.39Å; D830-E832 PolarHBondContact O-N 3.15Å; D830-E832 VanDerWaalsContact O-N 3.15Å; E832-A834 PolarHBondContact O-N 3.31Å; E832-Q835 PolarHBondContact O-N 3.16Å; E832-W836 WeakPolarHBondContact O-CA 3.21Å; E832-W836 WeakPolarHBondContact O-CB 3.43Å; E832-W836 PolarHBondContact O-N 3.03Å |
| 833 | L | 42.8 | Very low | 44.4 | Very low | 42 Ų | 42 | 103.6 Ų | 103.6 | 22% | 0.22 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -69.3 | -35 | -176.3 | -173.5 | 65.8 | 0 | 0 | 0 | 112 | I827 D830 W836 L837 | I827-L833 HydrophobicContact CB-CD2 4.47Å; I827-L833 HydrophobicContact CG1-CD2 4.01Å; I827-L833 HydrophobicContact CG2-CD2 4.1Å; D830-L833 HydrophobicContact CB-CB 3.79Å; D830-L833 WeakPolarHBondContact O-CB 3.26Å; D830-L833 PolarHBondContact O-N 2.84Å; L833-W836 HydrophobicContact CD1-CE3 3.8Å; L833-W836 HydrophobicContact CD1-CZ3 4.41Å; L833-L837 WeakPolarHBondContact O-CB 3.35Å; L833-L837 VanDerWaalsContact O-CG 3.31Å; L833-L837 WeakPolarHBondContact O-CG 3.09Å; L833-L837 PolarHBondContact O-N 3.33Å |
| 834 | A | 44.3 | Very low | 44 | Very low | 61 Ų | 61 | 106.2 Ų | 106.2 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.8 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | D830 E832 W836 R838 | D830-A834 PolarHBondContact O-N 2.87Å; E832-A834 PolarHBondContact O-N 3.31Å; A834-W836 VanDerWaalsContact C-N 3.27Å; A834-W836 PolarHBondContact O-N 2.83Å; A834-R838 PolarHBondContact O-N 3.43Å |
| 835 | Q | 45.1 | Very low | 43.5 | Very low | 131 Ų | 131 | 107.4 Ų | 107.4 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.7 | -35.5 | 172.8 | -161.2 | 84.6 | 12.4 | 0 | 0 | 111 | D831 E832 R838 W839 | D831-Q835 WeakPolarHBondContact O-CB 3.24Å; D831-Q835 PolarHBondContact O-N 2.8Å; E832-Q835 PolarHBondContact O-N 3.16Å; Q835-R838 WeakPolarHBondContact O-CB 3.28Å; Q835-R838 PolarHBondContact O-N 2.9Å; Q835-W839 PolarHBondContact O-N 2.74Å; Q835-W839 VanDerWaalsContact O-N 3.07Å |
| 836 | W | 44.3 | Very low | 43 | Very low | 52 Ų | 52 | 101.1 Ų | 101.1 | 20% | 0.197 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -75.1 | -42.8 | 179.3 | -179.3 | 86.1 | 0 | 0 | 0 | 112.2 | E832 L833 A834 R838 W839 E840 L847 I850 | E832-W836 WeakPolarHBondContact O-CA 3.21Å; E832-W836 WeakPolarHBondContact O-CB 3.43Å; E832-W836 PolarHBondContact O-N 3.03Å; L833-W836 HydrophobicContact CD1-CE3 3.8Å; L833-W836 HydrophobicContact CD1-CZ3 4.41Å; A834-W836 VanDerWaalsContact C-N 3.27Å; A834-W836 PolarHBondContact O-N 2.83Å; W836-R838 PolarHBondContact O-N 3.13Å; W836-W839 CarbonylContact O-C 3.54Å; W836-W839 WeakPolarHBondContact O-CA 3.38Å; W836-W839 PolarHBondContact O-N 3.43Å; W836-E840 HydrophobicContact CD2-CB 4.18Å; W836-E840 HydrophobicContact CE3-CB 4.33Å; W836-E840 HydrophobicContact CH2-CB 3.77Å; W836-E840 HydrophobicContact CH2-CG 3.55Å; W836-E840 HydrophobicContact CZ2-CB 3.69Å; W836-E840 HydrophobicContact CZ2-CG 3.25Å; W836-E840 WeakPolarHBondContact CZ2-OE2 3.31Å; W836-E840 HydrophobicContact CZ3-CB 4.14Å; W836-E840 HydrophobicContact CZ3-CG 4.41Å; W836-E840 PolarHBondContact NE1-OE2 3.46Å; W836-E840 WeakPolarHBondContact O-CB 3.31Å; W836-E840 PolarHBondContact O-N 3.33Å; W836-L847 HydrophobicContact CH2-CB 4.15Å; W836-L847 HydrophobicContact CH2-CD1 3.12Å; W836-L847 HydrophobicContact CH2-CG 4.19Å; W836-L847 HydrophobicContact CZ2-CD1 4.33Å; W836-L847 HydrophobicContact CZ3-CD1 3.34Å; W836-I850 HydrophobicContact CD2-CD1 4.01Å; W836-I850 VanDerWaalsContact CE2-CD1 3.45Å; W836-I850 HydrophobicContact CE3-CD1 4.25Å; W836-I850 HydrophobicContact CH2-CD1 3.63Å; W836-I850 HydrophobicContact CZ2-CD1 3.24Å; W836-I850 HydrophobicContact CZ2-CG1 4.39Å; W836-I850 HydrophobicContact CZ3-CD1 4.09Å |
| 837 | L | 41.5 | Very low | 42.5 | Very low | 30 Ų | 30 | 97.8 Ų | 97.8 | 16% | 0.157 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -59.2 | -29.5 | 171.2 | -81.2 | 168.6 | 0 | 0 | 0 | 112 | L833 | L833-L837 WeakPolarHBondContact O-CB 3.35Å; L833-L837 VanDerWaalsContact O-CG 3.31Å; L833-L837 WeakPolarHBondContact O-CG 3.09Å; L833-L837 PolarHBondContact O-N 3.33Å |
| 838 | R | 42.8 | Very low | 42.4 | Very low | 197 Ų | 197 | 101.7 Ų | 101.7 | 74% | 0.743 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73.6 | -34.7 | 169.7 | -82.2 | -174.9 | 175.9 | -177.3 | 0.8 | 113.1 | A834 Q835 W836 | A834-R838 PolarHBondContact O-N 3.43Å; Q835-R838 WeakPolarHBondContact O-CB 3.28Å; Q835-R838 PolarHBondContact O-N 2.9Å; W836-R838 PolarHBondContact O-N 3.13Å |
| 839 | W | 39.5 | Very low | 42.6 | Very low | 204 Ų | 204 | 99.9 Ų | 99.9 | 77% | 0.773 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -83.1 | -31.9 | -177.1 | -137 | 82.7 | 0 | 0 | 0 | 112.9 | Q835 W836 E841 | Q835-W839 PolarHBondContact O-N 2.74Å; Q835-W839 VanDerWaalsContact O-N 3.07Å; W836-W839 CarbonylContact O-C 3.54Å; W836-W839 WeakPolarHBondContact O-CA 3.38Å; W836-W839 PolarHBondContact O-N 3.43Å; W839-E841 VanDerWaalsContact C-N 3.33Å; W839-E841 PolarHBondContact O-N 2.76Å |
| 840 | E | 44.3 | Very low | 42.1 | Very low | 16 Ų | 16 | 98.6 Ų | 98.6 | 8% | 0.075 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -86.4 | 2.6 | -173.5 | -146 | 79.2 | -165.3 | 0 | 0 | 114 | W836 C842 N843 S846 | W836-E840 HydrophobicContact CD2-CB 4.18Å; W836-E840 HydrophobicContact CE3-CB 4.33Å; W836-E840 HydrophobicContact CH2-CB 3.77Å; W836-E840 HydrophobicContact CH2-CG 3.55Å; W836-E840 HydrophobicContact CZ2-CB 3.69Å; W836-E840 HydrophobicContact CZ2-CG 3.25Å; W836-E840 WeakPolarHBondContact CZ2-OE2 3.31Å; W836-E840 HydrophobicContact CZ3-CB 4.14Å; W836-E840 HydrophobicContact CZ3-CG 4.41Å; W836-E840 PolarHBondContact NE1-OE2 3.46Å; W836-E840 WeakPolarHBondContact O-CB 3.31Å; W836-E840 PolarHBondContact O-N 3.33Å; E840-C842 PolarHBondContact O-N 3.02Å; E840-N843 WeakPolarHBondContact CG-O 3.41Å; E840-N843 PolarHBondContact O-N 3.31Å; E840-N843 VanDerWaalsContact O-N 3.13Å; E840-N843 WeakPolarHBondContact OE1-CB 3.36Å; E840-S846 WeakPolarHBondContact OE1-CB 3.33Å; E840-S846 PolarHBondContact OE1-OG 3.27Å |
| 841 | E | 40.8 | Very low | 41.9 | Very low | 138 Ų | 138 | 96.3 Ų | 96.3 | 65% | 0.645 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -51.9 | -16.2 | 162.9 | -72.4 | -172.4 | 166.3 | 0 | 0 | 111.9 | W839 | W839-E841 VanDerWaalsContact C-N 3.33Å; W839-E841 PolarHBondContact O-N 2.76Å |
| 842 | C | 42.3 | Very low | 41.5 | Very low | 120 Ų | 120 | 95.1 Ų | 95.1 | 81% | 0.811 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -101.6 | -6.5 | -178.9 | -61.6 | 0 | 0 | 0 | 0 | 116.4 | E840 | E840-C842 PolarHBondContact O-N 3.02Š|
| 843 | N | 37.2 | Very low | 41.4 | Very low | 91 Ų | 91 | 89.5 Ų | 89.5 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | trans | -148 | 107.7 | -168.5 | -150.6 | -7.8 | 0 | 0 | 0 | 116.2 | E840 H845 | E840-N843 WeakPolarHBondContact CG-O 3.41Å; E840-N843 PolarHBondContact O-N 3.31Å; E840-N843 VanDerWaalsContact O-N 3.13Å; E840-N843 WeakPolarHBondContact OE1-CB 3.36Å; N843-H845 VanDerWaalsContact C-N 3.31Å; N843-H845 PolarHBondContact O-N 3.33Å | ||
| 844 | V | 39.6 | Very low | 41.3 | Very low | 107 Ų | 107 | 91.1 Ų | 91.1 | 65% | 0.648 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -69.8 | -23.1 | -173.8 | -179.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 845 | H | 37 | Very low | 41.2 | Very low | 156 Ų | 156 | 89.6 Ų | 89.6 | 72% | 0.722 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -75.3 | -30.3 | -168.9 | -115.2 | -75.6 | 0 | 0 | 0 | 114.1 | N843 | N843-H845 VanDerWaalsContact C-N 3.31Å; N843-H845 PolarHBondContact O-N 3.33Å |
| 846 | S | 39.3 | Very low | 41.2 | Very low | 36 Ų | 36 | 87.4 Ų | 87.4 | 25% | 0.252 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -83.5 | -29.6 | -171 | -39.4 | 0 | 0 | 0 | 0 | 112.9 | E840 K848 H849 I850 | E840-S846 WeakPolarHBondContact OE1-CB 3.33Å; E840-S846 PolarHBondContact OE1-OG 3.27Å; S846-K848 VanDerWaalsContact C-N 3.3Å; S846-K848 PolarHBondContact O-N 3.44Å; S846-H849 CarbonylContact O-C 3.58Å; S846-H849 WeakPolarHBondContact O-CA 3.4Å; S846-H849 WeakPolarHBondContact O-CB 3.49Å; S846-H849 PolarHBondContact O-N 3.2Å; S846-I850 WeakPolarHBondContact O-CG1 2.91Å; S846-I850 PolarHBondContact O-N 3.46Å |
| 847 | L | 38.1 | Very low | 41.2 | Very low | 10 Ų | 10 | 94.3 Ų | 94.3 | 5% | 0.052 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -70.2 | -27.3 | 177.6 | -153.4 | 75.5 | 0 | 0 | 0 | 111.8 | L809 T813 W836 H849 I850 C851 | L809-L847 HydrophobicContact CB-CB 3.93Å; L809-L847 HydrophobicContact CB-CD2 3.22Å; L809-L847 HydrophobicContact CB-CG 3.99Å; L809-L847 HydrophobicContact CD2-CB 3.58Å; L809-L847 HydrophobicContact CD2-CD2 3.57Å; L809-L847 HydrophobicContact CD2-CG 3.53Å; L809-L847 HydrophobicContact CG-CB 4.27Å; L809-L847 HydrophobicContact CG-CD2 3.5Å; L809-L847 VanDerWaalsContact CG-CD2 3.5Å; L809-L847 HydrophobicContact CG-CG 4.07Å; L809-L847 WeakPolarHBondContact O-CD2 3.45Å; T813-L847 VanDerWaalsContact OG1-CD2 3.26Å; T813-L847 WeakPolarHBondContact OG1-CD2 3.43Å; W836-L847 HydrophobicContact CH2-CB 4.15Å; W836-L847 HydrophobicContact CH2-CD1 3.12Å; W836-L847 HydrophobicContact CH2-CG 4.19Å; W836-L847 HydrophobicContact CZ2-CD1 4.33Å; W836-L847 HydrophobicContact CZ3-CD1 3.34Å; L847-H849 VanDerWaalsContact C-N 3.29Å; L847-H849 PolarHBondContact O-N 2.79Å; L847-I850 HydrophobicContact CD1-CB 4.46Å; L847-I850 PolarHBondContact O-N 3.27Å; L847-C851 VanDerWaalsContact O-CB 3.28Å; L847-C851 WeakPolarHBondContact O-CB 3.32Å; L847-C851 PolarHBondContact O-N 3.48Å; L847-C851 PolarHBondContact O-SG 3.39Å |
| 848 | K | 41.3 | Very low | 41.3 | Very low | 138 Ų | 138 | 96.2 Ų | 96.2 | 60% | 0.6 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.8 | -42.1 | 167.4 | -171.6 | 175.9 | -176.5 | 174.3 | 0 | 110.8 | S846 R852 | S846-K848 VanDerWaalsContact C-N 3.3Å; S846-K848 PolarHBondContact O-N 3.44Å; K848-R852 VanDerWaalsContact O-CB 3.28Å; K848-R852 WeakPolarHBondContact O-CB 3.39Å; K848-R852 PolarHBondContact O-N 2.81Å |
| 849 | H | 41.6 | Very low | 41.2 | Very low | 101 Ų | 101 | 87.1 Ų | 87.1 | 47% | 0.468 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 176.3 | -170.2 | 75.1 | 0 | 0 | 0 | 111.9 | S846 L847 R852 V853 | S846-H849 CarbonylContact O-C 3.58Å; S846-H849 WeakPolarHBondContact O-CA 3.4Å; S846-H849 WeakPolarHBondContact O-CB 3.49Å; S846-H849 PolarHBondContact O-N 3.2Å; L847-H849 VanDerWaalsContact C-N 3.29Å; L847-H849 PolarHBondContact O-N 2.79Å; H849-R852 CarbonylContact O-C 3.47Å; H849-R852 WeakPolarHBondContact O-CA 3.48Å; H849-R852 VanDerWaalsContact O-CB 3.28Å; H849-R852 WeakPolarHBondContact O-CB 3.19Å; H849-R852 PolarHBondContact O-N 2.55Å; H849-V853 WeakPolarHBondContact O-CB 3.46Å; H849-V853 VanDerWaalsContact O-CG2 3.23Å; H849-V853 WeakPolarHBondContact O-CG2 3.27Å; H849-V853 PolarHBondContact O-N 2.74Å |
| 850 | I | 39.5 | Very low | 41.6 | Very low | 43 Ų | 43 | 78.7 Ų | 78.7 | 22% | 0.221 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -75.7 | -42.2 | -179.7 | -67.1 | -179.6 | 0 | 0 | 0 | 112.1 | W836 S846 L847 R852 V853 V854 | W836-I850 HydrophobicContact CD2-CD1 4.01Å; W836-I850 VanDerWaalsContact CE2-CD1 3.45Å; W836-I850 HydrophobicContact CE3-CD1 4.25Å; W836-I850 HydrophobicContact CH2-CD1 3.63Å; W836-I850 HydrophobicContact CZ2-CD1 3.24Å; W836-I850 HydrophobicContact CZ2-CG1 4.39Å; W836-I850 HydrophobicContact CZ3-CD1 4.09Å; S846-I850 WeakPolarHBondContact O-CG1 2.91Å; S846-I850 PolarHBondContact O-N 3.46Å; L847-I850 HydrophobicContact CD1-CB 4.46Å; L847-I850 PolarHBondContact O-N 3.27Å; I850-R852 PolarHBondContact O-N 2.78Å; I850-V853 CarbonylContact O-C 3.57Å; I850-V853 PolarHBondContact O-N 2.9Å; I850-V854 HydrophobicContact CG2-CG2 3.67Å; I850-V854 VanDerWaalsContact O-CB 3.31Å; I850-V854 WeakPolarHBondContact O-CB 3.21Å; I850-V854 WeakPolarHBondContact O-CG2 2.9Å; I850-V854 PolarHBondContact O-N 3.07Å |
| 851 | C | 41.6 | Very low | 41.9 | Very low | 44 Ų | 44 | 89 Ų | 89 | 30% | 0.297 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -52.4 | -47.3 | 166.6 | -76.8 | 0 | 0 | 0 | 0 | 108.4 | L809 L847 V853 I855 | L809-C851 HydrophobicContact CD2-CB 4.42Å; L809-C851 VanDerWaalsContact CD2-SG 3.56Å; L847-C851 VanDerWaalsContact O-CB 3.28Å; L847-C851 WeakPolarHBondContact O-CB 3.32Å; L847-C851 PolarHBondContact O-N 3.48Å; L847-C851 PolarHBondContact O-SG 3.39Å; C851-V853 PolarHBondContact O-N 3.02Å; C851-I855 HydrophobicContact CB-CD1 4.12Å; C851-I855 WeakPolarHBondContact O-CA 2.92Å; C851-I855 WeakPolarHBondContact O-CB 3.11Å; C851-I855 WeakPolarHBondContact O-CD1 3.32Å; C851-I855 WeakPolarHBondContact O-CG1 3.46Å; C851-I855 PolarHBondContact O-N 3.03Å |
| 852 | R | 42.6 | Very low | 42.3 | Very low | 125 Ų | 125 | 84.1 Ų | 84.1 | 47% | 0.472 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 174.5 | -155.8 | -173.7 | 93.8 | -174.5 | 8.5 | 113.3 | K848 H849 I850 Q856 | K848-R852 VanDerWaalsContact O-CB 3.28Å; K848-R852 WeakPolarHBondContact O-CB 3.39Å; K848-R852 PolarHBondContact O-N 2.81Å; H849-R852 CarbonylContact O-C 3.47Å; H849-R852 WeakPolarHBondContact O-CA 3.48Å; H849-R852 VanDerWaalsContact O-CB 3.28Å; H849-R852 WeakPolarHBondContact O-CB 3.19Å; H849-R852 PolarHBondContact O-N 2.55Å; I850-R852 PolarHBondContact O-N 2.78Å; R852-Q856 WeakPolarHBondContact O-CB 2.86Å; R852-Q856 WeakPolarHBondContact O-CG 3.37Å; R852-Q856 PolarHBondContact O-N 3.35Å |
| 853 | V | 43.7 | Very low | 42.8 | Very low | 38 Ų | 38 | 86.3 Ų | 86.3 | 23% | 0.23 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -76.2 | -41.9 | -176.5 | 169.3 | 0 | 0 | 0 | 0 | 112.4 | H849 I850 C851 Q856 R857 | H849-V853 WeakPolarHBondContact O-CB 3.46Å; H849-V853 VanDerWaalsContact O-CG2 3.23Å; H849-V853 WeakPolarHBondContact O-CG2 3.27Å; H849-V853 PolarHBondContact O-N 2.74Å; I850-V853 CarbonylContact O-C 3.57Å; I850-V853 PolarHBondContact O-N 2.9Å; C851-V853 PolarHBondContact O-N 3.02Å; V853-Q856 CarbonylContact O-C 3.54Å; V853-Q856 PolarHBondContact O-N 3.46Å; V853-R857 WeakPolarHBondContact O-CB 3.31Å; V853-R857 WeakPolarHBondContact O-CG 3.48Å; V853-R857 PolarHBondContact O-N 3.31Å |
| 854 | V | 41.3 | Very low | 43.5 | Very low | 76 Ų | 76 | 84.4 Ų | 84.4 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 174.8 | 174 | 0 | 0 | 0 | 0 | 109.5 | I850 Q856 R857 A858 | I850-V854 HydrophobicContact CG2-CG2 3.67Å; I850-V854 VanDerWaalsContact O-CB 3.31Å; I850-V854 WeakPolarHBondContact O-CB 3.21Å; I850-V854 WeakPolarHBondContact O-CG2 2.9Å; I850-V854 PolarHBondContact O-N 3.07Å; V854-Q856 VanDerWaalsContact C-N 3.35Å; V854-R857 PolarHBondContact O-N 3.34Å; V854-A858 WeakPolarHBondContact O-CB 3.04Å; V854-A858 PolarHBondContact O-N 3.19Å |
| 855 | I | 42.1 | Very low | 43.8 | Very low | 28 Ų | 28 | 83.4 Ų | 83.4 | 14% | 0.144 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 170.4 | -66.7 | 162.5 | 0 | 0 | 0 | 109.1 | C851 R857 L859 L872 L887 | C851-I855 HydrophobicContact CB-CD1 4.12Å; C851-I855 WeakPolarHBondContact O-CA 2.92Å; C851-I855 WeakPolarHBondContact O-CB 3.11Å; C851-I855 WeakPolarHBondContact O-CD1 3.32Å; C851-I855 WeakPolarHBondContact O-CG1 3.46Å; C851-I855 PolarHBondContact O-N 3.03Å; I855-R857 PolarHBondContact O-N 3.28Å; I855-L859 HydrophobicContact CB-CD1 4.47Å; I855-L859 HydrophobicContact CG2-CD1 3.25Å; I855-L859 HydrophobicContact CG2-CG 4.17Å; I855-L859 WeakPolarHBondContact O-CB 2.96Å; I855-L859 WeakPolarHBondContact O-CD1 3.28Å; I855-L859 WeakPolarHBondContact O-CG 3.12Å; I855-L859 PolarHBondContact O-N 3.43Å; I855-L872 HydrophobicContact CB-CD2 4.47Å; I855-L872 HydrophobicContact CG1-CD2 3.93Å; I855-L872 HydrophobicContact CG2-CD1 4.23Å; I855-L872 HydrophobicContact CG2-CD2 4.13Å; I855-L887 HydrophobicContact CD1-CD1 3.46Å; I855-L887 VanDerWaalsContact CD1-CD1 3.46Å; I855-L887 HydrophobicContact CD1-CD2 4.1Å; I855-L887 HydrophobicContact CD1-CG 3.76Å; I855-L887 HydrophobicContact CG2-CD1 4.48Å; I855-L887 HydrophobicContact CG2-CD2 4.03Å |
| 856 | Q | 45.2 | Very low | 44.2 | Very low | 86 Ų | 86 | 85.4 Ų | 85.4 | 40% | 0.402 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 176.9 | -81.3 | 171.7 | -9.1 | 0 | 0 | 113.6 | R852 V853 V854 G860 | R852-Q856 WeakPolarHBondContact O-CB 2.86Å; R852-Q856 WeakPolarHBondContact O-CG 3.37Å; R852-Q856 PolarHBondContact O-N 3.35Å; V853-Q856 CarbonylContact O-C 3.54Å; V853-Q856 PolarHBondContact O-N 3.46Å; V854-Q856 VanDerWaalsContact C-N 3.35Å; Q856-G860 PolarHBondContact O-N 3.01Å |
| 857 | R | 44.4 | Very low | 44.8 | Very low | 197 Ų | 197 | 86.6 Ų | 86.6 | 74% | 0.743 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.7 | -48.2 | 177.8 | -83.5 | -176 | 178.3 | 172.5 | 0.2 | 111.4 | V853 V854 I855 L859 G860 | V853-R857 WeakPolarHBondContact O-CB 3.31Å; V853-R857 WeakPolarHBondContact O-CG 3.48Å; V853-R857 PolarHBondContact O-N 3.31Å; V854-R857 PolarHBondContact O-N 3.34Å; I855-R857 PolarHBondContact O-N 3.28Å; R857-L859 PolarHBondContact O-N 3.42Å; R857-G860 PolarHBondContact O-N 3.03Å |
| 858 | A | 42.3 | Very low | 45.1 | Very low | 70 Ų | 70 | 88.1 Ų | 88.1 | 58% | 0.579 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.7 | -30.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | V854 | V854-A858 WeakPolarHBondContact O-CB 3.04Å; V854-A858 PolarHBondContact O-N 3.19Å |
| 859 | L | 41.3 | Very low | 45.3 | Very low | 5 Ų | 5 | 83 Ų | 83 | 3% | 0.026 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -92.6 | -13.4 | -176.3 | -62.5 | 176.8 | 0 | 0 | 0 | 114.6 | I855 R857 K868 R871 L872 | I855-L859 HydrophobicContact CB-CD1 4.47Å; I855-L859 HydrophobicContact CG2-CD1 3.25Å; I855-L859 HydrophobicContact CG2-CG 4.17Å; I855-L859 WeakPolarHBondContact O-CB 2.96Å; I855-L859 WeakPolarHBondContact O-CD1 3.28Å; I855-L859 WeakPolarHBondContact O-CG 3.12Å; I855-L859 PolarHBondContact O-N 3.43Å; R857-L859 PolarHBondContact O-N 3.42Å; L859-K868 HydrophobicContact CB-CB 4.39Å; L859-K868 HydrophobicContact CB-CG 3.94Å; L859-K868 HydrophobicContact CD1-CB 3.55Å; L859-K868 HydrophobicContact CD1-CG 3.92Å; L859-K868 WeakPolarHBondContact CD1-O 3.46Å; L859-K868 WeakPolarHBondContact CD2-O 2.89Å; L859-K868 HydrophobicContact CG-CB 4.44Å; L859-R871 HydrophobicContact CD2-CB 3.32Å; L859-R871 PolarHBondContact O-NH1 3.15Å; L859-L872 HydrophobicContact CD1-CG 4.42Å; L859-L872 HydrophobicContact CD2-CG 4.29Å |
| 860 | G | 48.1 | Very low | 45.7 | Very low | 28 Ų | 28 | 83.5 Ų | 83.5 | 29% | 0.289 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 178.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q856 R857 A862 | Q856-G860 PolarHBondContact O-N 3.01Å; R857-G860 PolarHBondContact O-N 3.03Å; G860-A862 PolarHBondContact O-N 3.46Å |
| 861 | Y | 51.3 | Low | 46.3 | Very low | 232 Ų | 232 | 88.8 Ų | 88.8 | 91% | 0.91 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 20.3 | -172.2 | -62.3 | -81.3 | 0 | 0 | 0 | 115.2 | ||
| 862 | A | 47.5 | Very low | 46.5 | Very low | 35 Ų | 35 | 87.8 Ų | 87.8 | 29% | 0.289 | 43% | 0.433 | S | S | . | . | trans | -68.8 | 137.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | G860 S864 K868 | G860-A862 PolarHBondContact O-N 3.46Å; A862-S864 VanDerWaalsContact C-N 3.33Å; A862-S864 PolarHBondContact O-N 3.1Å; A862-K868 WeakPolarHBondContact O-CE 3.28Å; A862-K868 PolarHBondContact O-NZ 3.03Å | ||
| 863 | D | 52.8 | Low | 46.8 | Very low | 167 Ų | 167 | 86.2 Ų | 86.2 | 89% | 0.893 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -70.9 | -20 | -167.1 | -65.9 | -44.3 | 0 | 0 | 0 | 115.3 | ||
| 864 | S | 51.8 | Low | 46.7 | Very low | 51 Ų | 51 | 86.2 Ų | 86.2 | 36% | 0.357 | 44% | 0.437 | S | S | . | . | trans | -96.1 | 112.9 | -177.5 | 170 | 0 | 0 | 0 | 0 | 111.6 | A862 R866 V867 K868 | A862-S864 VanDerWaalsContact C-N 3.33Å; A862-S864 PolarHBondContact O-N 3.1Å; S864-R866 PolarHBondContact O-N 3.24Å; S864-R866 VanDerWaalsContact O-N 3.11Å; S864-R866 PolarHBondContact OG-N 2.86Å; S864-V867 PolarHBondContact O-N 3.11Å; S864-V867 PolarHBondContact OG-N 3.33Å; S864-K868 PolarHBondContact O-N 2.77Å | ||
| 865 | L | 46.1 | Very low | 46.8 | Very low | 86 Ų | 86 | 85.2 Ų | 85.2 | 45% | 0.45 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57 | -24.1 | 171.6 | -113.1 | 95.3 | 0 | 0 | 0 | 112.7 | K868 A869 M884 | L865-K868 HydrophobicContact CG-CD 4.38Å; L865-K868 VanDerWaalsContact O-CB 3.27Å; L865-K868 WeakPolarHBondContact O-CB 3.46Å; L865-K868 PolarHBondContact O-N 3.26Å; L865-A869 PolarHBondContact O-N 3.01Å; L865-M884 HydrophobicContact CB-CE 3.4Å; L865-M884 HydrophobicContact CB-SD 3.61Å; L865-M884 HydrophobicContact CD2-CE 3.51Å; L865-M884 HydrophobicContact CD2-SD 3.35Å; L865-M884 WeakPolarHBondContact CD2-SD 3.47Å; L865-M884 HydrophobicContact CG-CE 4.02Å; L865-M884 HydrophobicContact CG-SD 3.94Å |
| 866 | R | 46 | Very low | 47.1 | Very low | 198 Ų | 198 | 92.3 Ų | 92.3 | 75% | 0.747 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -72.6 | -38.7 | 175.2 | -171 | 172.4 | -178.5 | 156.1 | -0.3 | 112.3 | S864 K868 N870 | S864-R866 PolarHBondContact O-N 3.24Å; S864-R866 VanDerWaalsContact O-N 3.11Å; S864-R866 PolarHBondContact OG-N 2.86Å; R866-K868 VanDerWaalsContact C-N 3.29Å; R866-N870 PolarHBondContact O-N 3.37Å |
| 867 | V | 52.6 | Low | 47.2 | Very low | 61 Ų | 61 | 92 Ų | 92 | 37% | 0.37 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 172.8 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | S864 N870 R871 | S864-V867 PolarHBondContact O-N 3.11Å; S864-V867 PolarHBondContact OG-N 3.33Å; V867-N870 PolarHBondContact O-N 2.82Å; V867-R871 PolarHBondContact O-N 3.36Å |
| 868 | K | 45.1 | Very low | 47.1 | Very low | 42 Ų | 42 | 84 Ų | 84 | 18% | 0.183 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.6 | -50.8 | 172.4 | -81.8 | 179.1 | 169.8 | 150.1 | 0 | 112.2 | L859 A862 S864 L865 R866 N870 R871 | L859-K868 HydrophobicContact CB-CB 4.39Å; L859-K868 HydrophobicContact CB-CG 3.94Å; L859-K868 HydrophobicContact CD1-CB 3.55Å; L859-K868 HydrophobicContact CD1-CG 3.92Å; L859-K868 WeakPolarHBondContact CD1-O 3.46Å; L859-K868 WeakPolarHBondContact CD2-O 2.89Å; L859-K868 HydrophobicContact CG-CB 4.44Å; A862-K868 WeakPolarHBondContact O-CE 3.28Å; A862-K868 PolarHBondContact O-NZ 3.03Å; S864-K868 PolarHBondContact O-N 2.77Å; L865-K868 HydrophobicContact CG-CD 4.38Å; L865-K868 VanDerWaalsContact O-CB 3.27Å; L865-K868 WeakPolarHBondContact O-CB 3.46Å; L865-K868 PolarHBondContact O-N 3.26Å; R866-K868 VanDerWaalsContact C-N 3.29Å; K868-N870 VanDerWaalsContact C-N 3.31Å; K868-N870 PolarHBondContact O-N 2.82Å; K868-R871 PolarHBondContact O-N 2.82Å |
| 869 | A | 45.4 | Very low | 47.3 | Very low | 30 Ų | 30 | 83.1 Ų | 83.1 | 25% | 0.248 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61 | -37.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L865 R871 | L865-A869 PolarHBondContact O-N 3.01Å; A869-R871 VanDerWaalsContact C-N 3.29Å; A869-R871 PolarHBondContact O-N 3.43Å |
| 870 | N | 49.4 | Very low | 47.6 | Very low | 112 Ų | 112 | 87.1 Ų | 87.1 | 60% | 0.599 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -72.1 | -16.1 | -176.5 | -72.1 | -4.2 | 0 | 0 | 0 | 114.9 | R866 V867 K868 | R866-N870 PolarHBondContact O-N 3.37Å; V867-N870 PolarHBondContact O-N 2.82Å; K868-N870 VanDerWaalsContact C-N 3.31Å; K868-N870 PolarHBondContact O-N 2.82Å |
| 871 | R | 51.3 | Low | 47.2 | Very low | 153 Ų | 153 | 90.9 Ų | 90.9 | 58% | 0.577 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -97.2 | -8.1 | -178 | -82.3 | -177.7 | -178.9 | -176.3 | -2 | 113.7 | L859 V867 K868 A869 | L859-R871 HydrophobicContact CD2-CB 3.32Å; L859-R871 PolarHBondContact O-NH1 3.15Å; V867-R871 PolarHBondContact O-N 3.36Å; K868-R871 PolarHBondContact O-N 2.82Å; A869-R871 VanDerWaalsContact C-N 3.29Å; A869-R871 PolarHBondContact O-N 3.43Å |
| 872 | L | 47.1 | Very low | 46.6 | Very low | 24 Ų | 24 | 82.4 Ų | 82.4 | 13% | 0.126 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -63.5 | 129.6 | 169.9 | -75.4 | 161.3 | 0 | 0 | 0 | 107.5 | I855 L859 L874 L887 | I855-L872 HydrophobicContact CB-CD2 4.47Å; I855-L872 HydrophobicContact CG1-CD2 3.93Å; I855-L872 HydrophobicContact CG2-CD1 4.23Å; I855-L872 HydrophobicContact CG2-CD2 4.13Å; L859-L872 HydrophobicContact CD1-CG 4.42Å; L859-L872 HydrophobicContact CD2-CG 4.29Å; L872-L874 HydrophobicContact CB-CB 4.44Å; L872-L874 HydrophobicContact CB-CD1 3.76Å; L872-L874 HydrophobicContact CB-CG 3.95Å; L872-L874 HydrophobicContact CD1-CD1 3.94Å; L872-L874 HydrophobicContact CG-CD1 4.37Å; L872-L874 PolarHBondContact O-N 3.48Å; L872-L887 HydrophobicContact CD1-CD1 4.06Å |
| 873 | P | 47 | Very low | 46.3 | Very low | 91 Ų | 91 | 83 Ų | 83 | 59% | 0.591 | 43% | 0.43 | S | S | * | . | trans | -74.4 | 43.3 | 176.2 | 34.1 | -35.8 | 0 | 0 | 0 | 110.4 | ||||
| 874 | L | 43.4 | Very low | 45.5 | Very low | 38 Ų | 38 | 80 Ų | 80 | 20% | 0.199 | 41% | 0.411 | C | S | . | . | trans | -79.8 | 129.6 | 171.6 | -71.8 | 165.9 | 0 | 0 | 0 | 106.4 | L872 E876 L878 I879 V882 | L872-L874 HydrophobicContact CB-CB 4.44Å; L872-L874 HydrophobicContact CB-CD1 3.76Å; L872-L874 HydrophobicContact CB-CG 3.95Å; L872-L874 HydrophobicContact CD1-CD1 3.94Å; L872-L874 HydrophobicContact CG-CD1 4.37Å; L872-L874 PolarHBondContact O-N 3.48Å; L874-E876 PolarHBondContact O-N 2.85Å; L874-L878 HydrophobicContact CB-CB 4.19Å; L874-L878 HydrophobicContact CD2-CB 4.24Å; L874-L878 HydrophobicContact CD2-CD1 4.15Å; L874-I879 HydrophobicContact CB-CG1 3.71Å; L874-I879 WeakPolarHBondContact O-CD1 3.36Å; L874-V882 HydrophobicContact CD1-CG2 4.21Å | ||
| 875 | P | 43.1 | Very low | 44.6 | Very low | 55 Ų | 55 | 87.1 Ų | 87.1 | 36% | 0.357 | 44% | 0.436 | S | S | . | . | trans | -55 | 138.9 | 172 | 22.5 | -32.8 | 0 | 0 | 0 | 109.4 | H877 L878 | P875-H877 VanDerWaalsContact CB-CE1 3.5Å; P875-H877 WeakPolarHBondContact CB-CE1 3.23Å; P875-H877 VanDerWaalsContact CG-CE1 3.43Å; P875-H877 WeakPolarHBondContact CG-CE1 3.19Å; P875-H877 CarbonylContact O-C 3.52Å; P875-H877 PolarHBondContact O-N 2.71Å; P875-L878 HydrophobicContact CG-CD1 3.99Å; P875-L878 HydrophobicContact CG-CG 4.35Å; P875-L878 PolarHBondContact O-N 3.04Å | ||
| 876 | E | 48.3 | Very low | 44.1 | Very low | 177 Ų | 177 | 88.9 Ų | 88.9 | 83% | 0.827 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -44.3 | -35.2 | -165.9 | -78.3 | -175.2 | 150.1 | 0 | 0 | 114.7 | L874 L878 I879 | L874-E876 PolarHBondContact O-N 2.85Å; E876-L878 PolarHBondContact O-N 2.75Å; E876-I879 PolarHBondContact O-N 3.37Å |
| 877 | H | 47 | Very low | 43.4 | Very low | 81 Ų | 81 | 83.3 Ų | 83.3 | 38% | 0.375 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 177 | 65.7 | -78.6 | 0 | 0 | 0 | 113.4 | K797 P875 S880 Y881 | K797-H877 WeakPolarHBondContact CE-NE2 3.01Å; K797-H877 PolarHBondContact NZ-NE2 3.42Å; P875-H877 VanDerWaalsContact CB-CE1 3.5Å; P875-H877 WeakPolarHBondContact CB-CE1 3.23Å; P875-H877 VanDerWaalsContact CG-CE1 3.43Å; P875-H877 WeakPolarHBondContact CG-CE1 3.19Å; P875-H877 CarbonylContact O-C 3.52Å; P875-H877 PolarHBondContact O-N 2.71Å; H877-S880 PolarHBondContact O-OG 3.38Å; H877-Y881 WeakPolarHBondContact O-CD2 3.39Å; H877-Y881 VanDerWaalsContact O-CE2 3.23Å; H877-Y881 WeakPolarHBondContact O-CE2 3.33Å |
| 878 | L | 42.8 | Very low | 42.9 | Very low | 29 Ų | 29 | 84.4 Ų | 84.4 | 15% | 0.152 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -74 | -29.3 | 179.3 | -71.7 | 178.5 | 0 | 0 | 0 | 113.4 | I821 L874 P875 E876 S880 Y881 V882 | I821-L878 HydrophobicContact CG2-CD1 3.91Å; L874-L878 HydrophobicContact CB-CB 4.19Å; L874-L878 HydrophobicContact CD2-CB 4.24Å; L874-L878 HydrophobicContact CD2-CD1 4.15Å; P875-L878 HydrophobicContact CG-CD1 3.99Å; P875-L878 HydrophobicContact CG-CG 4.35Å; P875-L878 PolarHBondContact O-N 3.04Å; E876-L878 PolarHBondContact O-N 2.75Å; L878-S880 PolarHBondContact O-N 2.71Å; L878-Y881 PolarHBondContact O-N 3.46Å; L878-V882 PolarHBondContact O-N 3.29Å |
| 879 | I | 46.7 | Very low | 42.8 | Very low | 50 Ų | 50 | 86.6 Ų | 86.6 | 26% | 0.256 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.4 | -33.5 | 177.5 | -62.4 | 177.9 | 0 | 0 | 0 | 110.8 | L874 E876 | L874-I879 HydrophobicContact CB-CG1 3.71Å; L874-I879 WeakPolarHBondContact O-CD1 3.36Å; E876-I879 PolarHBondContact O-N 3.37Å |
| 880 | S | 46.7 | Very low | 42.6 | Very low | 90 Ų | 90 | 89.8 Ų | 89.8 | 63% | 0.629 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -27.5 | 177.7 | 73.9 | 0 | 0 | 0 | 0 | 114.6 | H877 L878 | H877-S880 PolarHBondContact O-OG 3.38Å; L878-S880 PolarHBondContact O-N 2.71Å |
| 881 | Y | 39.9 | Very low | 42.2 | Very low | 106 Ų | 106 | 88.5 Ų | 88.5 | 42% | 0.416 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -24.8 | -175.5 | -70.4 | -77.1 | 0 | 0 | 0 | 113.3 | N801 H877 L878 S883 | N801-Y881 WeakPolarHBondContact OD1-CE1 3.27Å; N801-Y881 PolarHBondContact OD1-OH 3.47Å; H877-Y881 WeakPolarHBondContact O-CD2 3.39Å; H877-Y881 VanDerWaalsContact O-CE2 3.23Å; H877-Y881 WeakPolarHBondContact O-CE2 3.33Å; L878-Y881 PolarHBondContact O-N 3.46Å; Y881-S883 PolarHBondContact O-N 3.05Å |
| 882 | V | 38.8 | Very low | 41.7 | Very low | 55 Ų | 55 | 84.4 Ų | 84.4 | 33% | 0.333 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -78.9 | 81.2 | 175.8 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | L874 L878 M884 L887 | L874-V882 HydrophobicContact CD1-CG2 4.21Å; L878-V882 PolarHBondContact O-N 3.29Å; V882-M884 PolarHBondContact O-N 3.25Å; V882-L887 HydrophobicContact CG1-CB 3.64Å; V882-L887 HydrophobicContact CG1-CD1 3.26Å; V882-L887 HydrophobicContact CG1-CG 4.08Å |
| 883 | S | 42.1 | Very low | 41.3 | Very low | 48 Ų | 48 | 88.5 Ų | 88.5 | 34% | 0.336 | 46% | 0.456 | S | S | . | . | trans | -60.7 | 135.8 | 172.8 | 82.9 | 0 | 0 | 0 | 0 | 108.5 | Y881 K885 Q886 L887 | Y881-S883 PolarHBondContact O-N 3.05Å; S883-K885 PolarHBondContact O-N 2.88Å; S883-Q886 PolarHBondContact O-N 2.97Å; S883-Q886 PolarHBondContact OG-N 3.07Å; S883-Q886 PolarHBondContact OG-OE1 2.72Å; S883-L887 PolarHBondContact O-N 3.3Å; S883-L887 VanDerWaalsContact O-N 3.15Å | ||
| 884 | M | 35 | Very low | 40.9 | Very low | 103 Ų | 103 | 88.3 Ų | 88.3 | 51% | 0.507 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -13.6 | 176.9 | -83.6 | -100.5 | -69.1 | 0 | 0 | 115.1 | L865 V882 | L865-M884 HydrophobicContact CB-CE 3.4Å; L865-M884 HydrophobicContact CB-SD 3.61Å; L865-M884 HydrophobicContact CD2-CE 3.51Å; L865-M884 HydrophobicContact CD2-SD 3.35Å; L865-M884 WeakPolarHBondContact CD2-SD 3.47Å; L865-M884 HydrophobicContact CG-CE 4.02Å; L865-M884 HydrophobicContact CG-SD 3.94Å; V882-M884 PolarHBondContact O-N 3.25Å |
| 885 | K | 33.8 | Very low | 40.7 | Very low | 200 Ų | 200 | 92.2 Ų | 92.2 | 87% | 0.87 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -22.4 | 177.4 | -161.1 | 178.6 | -178.4 | -177.4 | 0 | 112.3 | S883 | S883-K885 PolarHBondContact O-N 2.88Š|
| 886 | Q | 33.8 | Very low | 40.5 | Very low | 123 Ų | 123 | 95.3 Ų | 95.3 | 58% | 0.575 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -28.8 | 178.6 | -86.6 | 163 | -42.4 | 0 | 0 | 113.2 | S883 | S883-Q886 PolarHBondContact O-N 2.97Å; S883-Q886 PolarHBondContact OG-N 3.07Å; S883-Q886 PolarHBondContact OG-OE1 2.72Å |
| 887 | L | 31.5 | Very low | 39.8 | Very low | 81 Ų | 81 | 87.8 Ų | 87.8 | 42% | 0.424 | 44% | 0.443 | S | S | . | . | trans | -75 | 0 | 165.3 | -167.9 | 136.4 | 0 | 0 | 0 | 110.2 | I855 L872 V882 S883 | I855-L887 HydrophobicContact CD1-CD1 3.46Å; I855-L887 VanDerWaalsContact CD1-CD1 3.46Å; I855-L887 HydrophobicContact CD1-CD2 4.1Å; I855-L887 HydrophobicContact CD1-CG 3.76Å; I855-L887 HydrophobicContact CG2-CD1 4.48Å; I855-L887 HydrophobicContact CG2-CD2 4.03Å; L872-L887 HydrophobicContact CD1-CD1 4.06Å; V882-L887 HydrophobicContact CG1-CB 3.64Å; V882-L887 HydrophobicContact CG1-CD1 3.26Å; V882-L887 HydrophobicContact CG1-CG 4.08Å; S883-L887 PolarHBondContact O-N 3.3Å; S883-L887 VanDerWaalsContact O-N 3.15Å |
Retrieved 887 of 887 residues in 648.4 ms
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