| 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 | 66.5 | Low | 90.6 | Very high | 255 Ų | 255 | 122.4 Ų | 122.4 | 100% | 1.256 | 62% | 0.622 | S | S | * | * | 0 | 123.7 | 0 | -71.7 | 158.8 | 106 | 0 | 0 | 109.2 | |||||
| 2 | G | 80.2 | Confident | 90.9 | Very high | 83 Ų | 83 | 115.2 Ų | 115.2 | 86% | 0.856 | 60% | 0.595 | S | S | * | * | trans | -164.6 | 16.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 3 | R | 89.4 | Confident | 91.3 | Very high | 205 Ų | 205 | 106.3 Ų | 106.3 | 77% | 0.774 | 55% | 0.549 | S | S | * | . | trans | -111.1 | 17.2 | -172.5 | -147.5 | 168.6 | 179 | 81 | -4 | 113.8 | R5 | R3-R5 PolarHBondContact O-NH1 2.69Š| ||
| 4 | V | 93.9 | Very high | 91.4 | Very high | 130 Ų | 130 | 104.6 Ų | 104.6 | 79% | 0.788 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 132.5 | 175.4 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 5 | R | 94.8 | Very high | 91.6 | Very high | 101 Ų | 101 | 101.5 Ų | 101.5 | 38% | 0.381 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 138.4 | 179.2 | -69.6 | 73.9 | 171 | 166.7 | -9.3 | 109.7 | R3 K10 Y53 | R3-R5 PolarHBondContact O-NH1 2.69Å; R5-K10 HydrophobicContact CB-CG 4.48Å; R5-K10 VanDerWaalsContact O-CE 3.27Å; R5-K10 WeakPolarHBondContact O-CE 3.27Å; R5-Y53 HydrophobicContact CG-CD2 4.24Å |
| 6 | T | 95.6 | Very high | 91.8 | Very high | 79 Ų | 79 | 96 Ų | 96 | 49% | 0.485 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 161.7 | 179.9 | 55 | 0 | 0 | 0 | 0 | 112.4 | T8 V9 K10 | T6-T8 VanDerWaalsContact C-N 3.26Å; T6-T8 PolarHBondContact O-N 3.03Å; T6-T8 PolarHBondContact OG1-OG1 3.27Å; T6-T8 VanDerWaalsContact OG1-OG1 3.13Å; T6-V9 PolarHBondContact O-N 3.24Å; T6-K10 WeakPolarHBondContact O-CG 3.49Å; T6-K10 PolarHBondContact O-N 3.31Å |
| 7 | K | 95.6 | Very high | 91.9 | Very high | 179 Ų | 179 | 90.4 Ų | 90.4 | 78% | 0.778 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -56.6 | -35.6 | 178.7 | 60.9 | -179.3 | 174.9 | 179.9 | 0 | 113.8 | K10 K11 | K7-K10 PolarHBondContact O-N 3.11Å; K7-K11 WeakPolarHBondContact O-CB 3.31Å; K7-K11 PolarHBondContact O-N 3.35Å |
| 8 | T | 94.4 | Very high | 91.9 | Very high | 89 Ų | 89 | 89 Ų | 89 | 55% | 0.546 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 179.9 | 51 | 0 | 0 | 0 | 0 | 112 | T6 K11 A12 | T6-T8 VanDerWaalsContact C-N 3.26Å; T6-T8 PolarHBondContact O-N 3.03Å; T6-T8 PolarHBondContact OG1-OG1 3.27Å; T6-T8 VanDerWaalsContact OG1-OG1 3.13Å; T8-K11 PolarHBondContact O-N 3.36Å; T8-A12 WeakPolarHBondContact O-CB 3.47Å; T8-A12 PolarHBondContact O-N 2.94Å |
| 9 | V | 95.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 92.1 Ų | 92.1 | 1% | 0.012 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 176.1 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | T6 A13 K49 I50 | T6-V9 PolarHBondContact O-N 3.24Å; V9-A13 VanDerWaalsContact O-CB 3.26Å; V9-A13 WeakPolarHBondContact O-CB 3.39Å; V9-A13 PolarHBondContact O-N 3.32Å; V9-K49 HydrophobicContact CG1-CB 4.17Å; V9-K49 WeakPolarHBondContact CG1-O 3.46Å; V9-K49 HydrophobicContact CG2-CB 4.1Å; V9-I50 HydrophobicContact CG1-CG1 4.1Å |
| 10 | K | 95.1 | Very high | 92 | Very high | 67 Ų | 67 | 91.9 Ų | 91.9 | 29% | 0.291 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | -179.8 | -62.3 | -177.7 | 178.8 | 172.8 | 0 | 112.4 | R5 T6 K7 R14 Y53 | R5-K10 HydrophobicContact CB-CG 4.48Å; R5-K10 VanDerWaalsContact O-CE 3.27Å; R5-K10 WeakPolarHBondContact O-CE 3.27Å; T6-K10 WeakPolarHBondContact O-CG 3.49Å; T6-K10 PolarHBondContact O-N 3.31Å; K7-K10 PolarHBondContact O-N 3.11Å; K10-R14 WeakPolarHBondContact O-CG 3.37Å; K10-R14 PolarHBondContact O-N 3.01Å; K10-R14 PolarHBondContact O-NE 2.92Å; K10-Y53 HydrophobicContact CB-CE1 3.88Å; K10-Y53 HydrophobicContact CG-CD1 4.38Å; K10-Y53 HydrophobicContact CG-CE1 3.71Å; K10-Y53 HydrophobicContact CG-CE2 4.29Å |
| 11 | K | 95.1 | Very high | 92 | Very high | 156 Ų | 156 | 91.5 Ų | 91.5 | 68% | 0.678 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -68.4 | -49.8 | 178.4 | -171.9 | 174.8 | -179.1 | 178.9 | 0 | 111.1 | K7 T8 A13 R14 V15 | K7-K11 WeakPolarHBondContact O-CB 3.31Å; K7-K11 PolarHBondContact O-N 3.35Å; T8-K11 PolarHBondContact O-N 3.36Å; K11-A13 VanDerWaalsContact C-N 3.34Å; K11-A13 PolarHBondContact O-N 2.99Å; K11-R14 PolarHBondContact O-N 3.31Å; K11-V15 WeakPolarHBondContact O-CG2 3.26Å; K11-V15 PolarHBondContact O-N 3.21Å |
| 12 | A | 94.9 | Very high | 93.2 | Very high | 36 Ų | 36 | 85.7 Ų | 85.7 | 30% | 0.298 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | T8 R14 V15 I16 I50 | T8-A12 WeakPolarHBondContact O-CB 3.47Å; T8-A12 PolarHBondContact O-N 2.94Å; A12-R14 PolarHBondContact O-N 3.28Å; A12-V15 PolarHBondContact O-N 2.88Å; A12-I16 WeakPolarHBondContact O-CG1 3.49Å; A12-I16 PolarHBondContact O-N 2.96Å; A12-I50 HydrophobicContact CB-CD1 4.29Å |
| 13 | A | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 87.4 Ų | 87.4 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V9 K11 I16 I17 Y53 V54 L57 | V9-A13 VanDerWaalsContact O-CB 3.26Å; V9-A13 WeakPolarHBondContact O-CB 3.39Å; V9-A13 PolarHBondContact O-N 3.32Å; K11-A13 VanDerWaalsContact C-N 3.34Å; K11-A13 PolarHBondContact O-N 2.99Å; A13-I16 PolarHBondContact O-N 3.09Å; A13-I17 WeakPolarHBondContact O-CD1 3.36Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.42Å; A13-I17 PolarHBondContact O-N 3.23Å; A13-I17 VanDerWaalsContact O-N 3.09Å; A13-Y53 HydrophobicContact CB-CD1 3.62Å; A13-Y53 HydrophobicContact CB-CE1 4.42Å; A13-V54 HydrophobicContact CB-CG2 3.72Å; A13-L57 HydrophobicContact CB-CD1 4.48Å |
| 14 | R | 93.9 | Very high | 93.9 | Very high | 82 Ų | 82 | 78.7 Ų | 78.7 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 176.2 | -78.3 | -174.1 | -96.7 | -105.5 | 7.5 | 111.7 | K10 K11 A12 I16 I17 E18 L57 G68 I69 | K10-R14 WeakPolarHBondContact O-CG 3.37Å; K10-R14 PolarHBondContact O-N 3.01Å; K10-R14 PolarHBondContact O-NE 2.92Å; K11-R14 PolarHBondContact O-N 3.31Å; A12-R14 PolarHBondContact O-N 3.28Å; R14-I16 VanDerWaalsContact C-N 3.29Å; R14-I16 PolarHBondContact O-N 3.48Å; R14-I17 PolarHBondContact O-N 3.34Å; R14-I17 VanDerWaalsContact O-N 3.07Å; R14-E18 WeakPolarHBondContact O-CG 3.39Å; R14-E18 PolarHBondContact O-N 3.19Å; R14-L57 HydrophobicContact CG-CD1 4.46Å; R14-G68 WeakPolarHBondContact CD-O 3.48Å; R14-I69 HydrophobicContact CG-CD1 4.46Å; R14-I69 HydrophobicContact CG-CG1 4.05Å |
| 15 | V | 93.7 | Very high | 93.8 | Very high | 58 Ų | 58 | 73.8 Ų | 73.8 | 35% | 0.352 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 178.2 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | K11 A12 K19 | K11-V15 WeakPolarHBondContact O-CG2 3.26Å; K11-V15 PolarHBondContact O-N 3.21Å; A12-V15 PolarHBondContact O-N 2.88Å; V15-K19 HydrophobicContact CG1-CD 4.32Å; V15-K19 WeakPolarHBondContact O-CG 3.48Å; V15-K19 PolarHBondContact O-N 3.46Å |
| 16 | I | 94.2 | Very high | 93.8 | Very high | 14 Ų | 14 | 71.8 Ų | 71.8 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 176.7 | -68.4 | 166.5 | 0 | 0 | 0 | 110.8 | A12 A13 R14 Y20 L24 I38 I50 | A12-I16 WeakPolarHBondContact O-CG1 3.49Å; A12-I16 PolarHBondContact O-N 2.96Å; A13-I16 PolarHBondContact O-N 3.09Å; R14-I16 VanDerWaalsContact C-N 3.29Å; R14-I16 PolarHBondContact O-N 3.48Å; I16-Y20 WeakPolarHBondContact O-CB 3.41Å; I16-Y20 PolarHBondContact O-N 3.01Å; I16-L24 HydrophobicContact CG2-CD1 4.25Å; I16-L24 HydrophobicContact CG2-CD2 4.48Å; I16-I38 HydrophobicContact CG2-CD1 4.35Å; I16-I50 HydrophobicContact CD1-CG2 3.81Å |
| 17 | I | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.5 | -43.8 | -179.3 | -68.6 | 168 | 0 | 0 | 0 | 111.7 | A13 R14 K19 Y21 L24 V54 L57 M58 I61 I69 | A13-I17 WeakPolarHBondContact O-CD1 3.36Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.42Å; A13-I17 PolarHBondContact O-N 3.23Å; A13-I17 VanDerWaalsContact O-N 3.09Å; R14-I17 PolarHBondContact O-N 3.34Å; R14-I17 VanDerWaalsContact O-N 3.07Å; I17-K19 VanDerWaalsContact C-N 3.27Å; I17-K19 PolarHBondContact O-N 3.41Å; I17-Y21 HydrophobicContact CG2-CD2 4.38Å; I17-Y21 PolarHBondContact O-N 3.16Å; I17-L24 HydrophobicContact CB-CD1 4.43Å; I17-L24 HydrophobicContact CG1-CD1 3.87Å; I17-V54 HydrophobicContact CD1-CG1 4.25Å; I17-V54 HydrophobicContact CD1-CG2 4.45Å; I17-V54 HydrophobicContact CG1-CG1 4.08Å; I17-V54 HydrophobicContact CG1-CG2 4.46Å; I17-L57 HydrophobicContact CD1-CB 3.6Å; I17-L57 HydrophobicContact CD1-CD1 3.47Å; I17-L57 VanDerWaalsContact CD1-CD1 3.47Å; I17-L57 HydrophobicContact CD1-CG 4.18Å; I17-M58 HydrophobicContact CB-CE 4.06Å; I17-M58 HydrophobicContact CD1-CE 3.81Å; I17-M58 HydrophobicContact CG1-CE 3.56Å; I17-M58 HydrophobicContact CG2-CE 3.42Å; I17-M58 VanDerWaalsContact CG2-CE 3.42Å; I17-I61 HydrophobicContact CG2-CD1 4.13Å; I17-I69 HydrophobicContact CG2-CG2 3.77Å |
| 18 | E | 91.9 | Very high | 93.9 | Very high | 66 Ų | 66 | 68.2 Ų | 68.2 | 31% | 0.308 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 178.9 | -72.4 | 161 | -167.5 | 0 | 0 | 111.7 | R14 I69 | R14-E18 WeakPolarHBondContact O-CG 3.39Å; R14-E18 PolarHBondContact O-N 3.19Å; E18-I69 HydrophobicContact CG-CG2 4.25Å |
| 19 | K | 91.9 | Very high | 94 | Very high | 147 Ų | 147 | 70.5 Ų | 70.5 | 64% | 0.639 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -87.9 | -35.9 | -175.6 | -65.5 | -177 | -179.3 | -171.3 | 0 | 114.1 | V15 I17 | V15-K19 HydrophobicContact CG1-CD 4.32Å; V15-K19 WeakPolarHBondContact O-CG 3.48Å; V15-K19 PolarHBondContact O-N 3.46Å; I17-K19 VanDerWaalsContact C-N 3.27Å; I17-K19 PolarHBondContact O-N 3.41Å |
| 20 | Y | 93.5 | Very high | 94 | Very high | 89 Ų | 89 | 73.6 Ų | 73.6 | 35% | 0.349 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -126.3 | 35.9 | -166.4 | -58.8 | -76.9 | 0 | 0 | 0 | 113.6 | I16 T22 R23 L24 I38 | I16-Y20 WeakPolarHBondContact O-CB 3.41Å; I16-Y20 PolarHBondContact O-N 3.01Å; Y20-T22 VanDerWaalsContact C-N 3.28Å; Y20-T22 PolarHBondContact O-N 3.14Å; Y20-R23 PolarHBondContact O-N 3.23Å; Y20-R23 VanDerWaalsContact O-N 3.16Å; Y20-L24 WeakPolarHBondContact O-CG 3.37Å; Y20-I38 HydrophobicContact CD1-CD1 4.28Å; Y20-I38 HydrophobicContact CD2-CD1 3.77Å; Y20-I38 HydrophobicContact CD2-CG1 4.25Å; Y20-I38 HydrophobicContact CD2-CG2 3.68Å; Y20-I38 HydrophobicContact CE2-CB 4.48Å; Y20-I38 HydrophobicContact CE2-CD1 4.37Å; Y20-I38 HydrophobicContact CE2-CG1 4.36Å; Y20-I38 HydrophobicContact CE2-CG2 3.35Å; Y20-I38 HydrophobicContact CG-CD1 3.7Å; Y20-I38 HydrophobicContact CG-CG1 4.34Å |
| 21 | Y | 92.1 | Very high | 94 | Very high | 83 Ų | 83 | 70.5 Ų | 70.5 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -52.1 | -43.5 | -178.5 | -175.2 | -103.9 | 0 | 0 | 0 | 113.5 | I17 R23 L24 M58 I61 I71 | I17-Y21 HydrophobicContact CG2-CD2 4.38Å; I17-Y21 PolarHBondContact O-N 3.16Å; Y21-R23 PolarHBondContact O-N 3.24Å; Y21-L24 PolarHBondContact O-N 3.09Å; Y21-M58 HydrophobicContact CD2-CE 3.86Å; Y21-M58 HydrophobicContact CD2-SD 4.22Å; Y21-M58 HydrophobicContact CE2-CE 3.91Å; Y21-M58 HydrophobicContact CE2-SD 3.8Å; Y21-I61 HydrophobicContact CE2-CD1 4.47Å; Y21-I61 HydrophobicContact CE2-CG2 4.28Å; Y21-I71 HydrophobicContact CD1-CG2 4.35Å; Y21-I71 HydrophobicContact CD2-CD1 3.92Å; Y21-I71 HydrophobicContact CD2-CG1 4.48Å; Y21-I71 HydrophobicContact CE2-CD1 3.76Å; Y21-I71 HydrophobicContact CG-CG2 4.26Å |
| 22 | T | 91.6 | Very high | 94.1 | Very high | 134 Ų | 134 | 65.6 Ų | 65.6 | 82% | 0.822 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -65.5 | -22.1 | -176.4 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | Y20 | Y20-T22 VanDerWaalsContact C-N 3.28Å; Y20-T22 PolarHBondContact O-N 3.14Å |
| 23 | R | 91.6 | Very high | 94.1 | Very high | 118 Ų | 118 | 72.3 Ų | 72.3 | 45% | 0.445 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -95.5 | -5.8 | -178 | -59 | -174 | 68.3 | -159.8 | -5.2 | 112.8 | Y20 Y21 V34 E37 | Y20-R23 PolarHBondContact O-N 3.23Å; Y20-R23 VanDerWaalsContact O-N 3.16Å; Y21-R23 PolarHBondContact O-N 3.24Å; R23-V34 HydrophobicContact CB-CG1 4.35Å; R23-E37 IonicContact CZ-OE2 2.69Å; R23-E37 IonicContact NH2-OE2 3.11Å; R23-E37 PolarHBondContact NH2-OE2 3.07Å |
| 24 | L | 93.3 | Very high | 94.2 | Very high | 22 Ų | 22 | 73.2 Ų | 73.2 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | trans | -99.2 | 145.6 | -175.7 | -65.5 | 170.6 | 0 | 0 | 0 | 111.1 | I16 I17 Y20 Y21 V34 V54 M58 | I16-L24 HydrophobicContact CG2-CD1 4.25Å; I16-L24 HydrophobicContact CG2-CD2 4.48Å; I17-L24 HydrophobicContact CB-CD1 4.43Å; I17-L24 HydrophobicContact CG1-CD1 3.87Å; Y20-L24 WeakPolarHBondContact O-CG 3.37Å; Y21-L24 PolarHBondContact O-N 3.09Å; L24-V34 HydrophobicContact CD2-CG1 4.05Å; L24-V54 HydrophobicContact CD1-CG1 3.94Å; L24-V54 HydrophobicContact CD2-CG1 3.96Å; L24-V54 HydrophobicContact CG-CG1 4.44Å; L24-M58 HydrophobicContact CB-SD 4.44Å; L24-M58 HydrophobicContact CD1-CE 4.13Å | ||
| 25 | G | 93 | Very high | 94.2 | Very high | 27 Ų | 27 | 69.3 Ų | 69.3 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | trans | -125 | -170.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N31 | G25-N31 PolarHBondContact N-OD1 3.37Å; G25-N31 PolarHBondContact O-ND2 3.21Å | ||
| 26 | N | 93.8 | Very high | 94.3 | Very high | 60 Ų | 60 | 70.8 Ų | 70.8 | 32% | 0.321 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -84.1 | -20 | 175.4 | -73.9 | -14.7 | 0 | 0 | 0 | 113.2 | Q62 | N26-Q62 VanDerWaalsContact CG-NE2 3.3Å; N26-Q62 PolarHBondContact ND2-NE2 3.22Å; N26-Q62 PolarHBondContact ND2-OE1 2.88Å; N26-Q62 VanDerWaalsContact ND2-OE1 3.1Å; N26-Q62 PolarHBondContact OD1-NE2 2.92Å |
| 27 | D | 95.7 | Very high | 94.3 | Very high | 109 Ų | 109 | 76 Ų | 76 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | trans | -83.7 | 143.9 | -173.9 | -61.1 | -52.9 | 0 | 0 | 0 | 112.8 | T30 N31 | D27-T30 HydrophobicContact CB-CG2 4.4Å; D27-T30 WeakPolarHBondContact CB-OG1 3.29Å; D27-T30 PolarHBondContact O-OG1 3.26Å; D27-N31 WeakPolarHBondContact O-CB 3.14Å; D27-N31 VanDerWaalsContact O-CG 3.29Å; D27-N31 PolarHBondContact O-N 3.41Å; D27-N31 PolarHBondContact O-ND2 3.16Å | ||
| 28 | F | 97 | Very high | 94.3 | Very high | 74 Ų | 74 | 77.8 Ų | 77.8 | 33% | 0.325 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -74.2 | -40 | -177.8 | 175.9 | -102.5 | 0 | 0 | 0 | 112.6 | K32 N48 A51 T55 | F28-K32 HydrophobicContact CE1-CD 4.42Å; F28-K32 VanDerWaalsContact O-CB 3.26Å; F28-K32 WeakPolarHBondContact O-CB 3.42Å; F28-K32 PolarHBondContact O-N 3.08Å; F28-N48 HydrophobicContact CZ-CB 4.22Å; F28-A51 HydrophobicContact CD2-CB 4.33Å; F28-A51 HydrophobicContact CE2-CB 3.92Å; F28-T55 HydrophobicContact CB-CG2 4.42Å |
| 29 | H | 96.3 | Very high | 94.3 | Very high | 137 Ų | 137 | 76.2 Ų | 76.2 | 63% | 0.634 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -71.6 | -38 | -173.2 | -67.8 | -78.1 | 0 | 0 | 0 | 112.7 | R33 | H29-R33 PolarHBondContact O-N 2.76Å |
| 30 | T | 95.9 | Very high | 94.4 | Very high | 67 Ų | 67 | 77.7 Ų | 77.7 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.1 | -52.7 | 175.2 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | D27 K32 R33 V34 | D27-T30 HydrophobicContact CB-CG2 4.4Å; D27-T30 WeakPolarHBondContact CB-OG1 3.29Å; D27-T30 PolarHBondContact O-OG1 3.26Å; T30-K32 PolarHBondContact O-N 2.92Å; T30-R33 WeakPolarHBondContact O-CB 3.44Å; T30-R33 PolarHBondContact O-N 3.08Å; T30-V34 WeakPolarHBondContact O-CG2 3.5Å; T30-V34 PolarHBondContact O-N 3.45Å |
| 31 | N | 96.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.8 | -32.3 | 178.8 | -73.1 | -10.8 | 0 | 0 | 0 | 113 | G25 D27 C35 T55 | G25-N31 PolarHBondContact N-OD1 3.37Å; G25-N31 PolarHBondContact O-ND2 3.21Å; D27-N31 WeakPolarHBondContact O-CB 3.14Å; D27-N31 VanDerWaalsContact O-CG 3.29Å; D27-N31 PolarHBondContact O-N 3.41Å; D27-N31 PolarHBondContact O-ND2 3.16Å; N31-C35 WeakPolarHBondContact O-CB 3.3Å; N31-C35 PolarHBondContact O-N 3Å; N31-C35 PolarHBondContact O-SG 3.1Å; N31-T55 HydrophobicContact CB-CG2 4.38Å; N31-T55 VanDerWaalsContact ND2-CG2 3.3Å; N31-T55 WeakPolarHBondContact ND2-CG2 3.34Å |
| 32 | K | 96.4 | Very high | 94.6 | Very high | 53 Ų | 53 | 77.1 Ų | 77.1 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 173.6 | 179.6 | -171.6 | 161.4 | -153.9 | 0 | 111.2 | F28 T30 C35 E36 R47 A51 | F28-K32 HydrophobicContact CE1-CD 4.42Å; F28-K32 VanDerWaalsContact O-CB 3.26Å; F28-K32 WeakPolarHBondContact O-CB 3.42Å; F28-K32 PolarHBondContact O-N 3.08Å; T30-K32 PolarHBondContact O-N 2.92Å; K32-C35 PolarHBondContact O-N 3.1Å; K32-E36 WeakPolarHBondContact CE-OE1 3.33Å; K32-E36 WeakPolarHBondContact O-CG 3.48Å; K32-E36 PolarHBondContact O-N 2.81Å; K32-R47 HydrophobicContact CG-CG 4.45Å; K32-A51 HydrophobicContact CB-CB 4.16Å |
| 33 | R | 96 | Very high | 94.8 | Very high | 178 Ų | 178 | 72.9 Ų | 72.9 | 67% | 0.672 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.7 | -44.7 | 177.2 | -67.1 | 178.3 | -178.9 | -178.5 | 0.3 | 111.1 | H29 T30 C35 E36 E37 | H29-R33 PolarHBondContact O-N 2.76Å; T30-R33 WeakPolarHBondContact O-CB 3.44Å; T30-R33 PolarHBondContact O-N 3.08Å; R33-C35 VanDerWaalsContact C-N 3.29Å; R33-C35 PolarHBondContact O-N 3.02Å; R33-E36 WeakPolarHBondContact O-CA 3.5Å; R33-E36 VanDerWaalsContact O-CB 3.31Å; R33-E36 WeakPolarHBondContact O-CB 3.36Å; R33-E36 PolarHBondContact O-N 3.38Å; R33-E37 PolarHBondContact O-N 3.33Å |
| 34 | V | 95.7 | Very high | 95 | Very high | 18 Ų | 18 | 74.1 Ų | 74.1 | 11% | 0.109 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60 | -39 | 176.8 | 174 | 0 | 0 | 0 | 0 | 111.8 | R23 L24 T30 E36 E37 I38 | R23-V34 HydrophobicContact CB-CG1 4.35Å; L24-V34 HydrophobicContact CD2-CG1 4.05Å; T30-V34 WeakPolarHBondContact O-CG2 3.5Å; T30-V34 PolarHBondContact O-N 3.45Å; V34-E36 VanDerWaalsContact C-N 3.26Å; V34-E36 PolarHBondContact O-N 3.29Å; V34-E37 PolarHBondContact O-N 2.94Å; V34-I38 HydrophobicContact CG1-CD1 3.38Å; V34-I38 HydrophobicContact CG1-CG1 4.22Å; V34-I38 VanDerWaalsContact O-CG1 3.27Å; V34-I38 WeakPolarHBondContact O-CG1 3.34Å; V34-I38 PolarHBondContact O-N 3.09Å |
| 35 | C | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.2 | -23.7 | 174.6 | -69.8 | 0 | 0 | 0 | 0 | 113.6 | N31 K32 R33 A39 I41 | N31-C35 WeakPolarHBondContact O-CB 3.3Å; N31-C35 PolarHBondContact O-N 3Å; N31-C35 PolarHBondContact O-SG 3.1Å; K32-C35 PolarHBondContact O-N 3.1Å; R33-C35 VanDerWaalsContact C-N 3.29Å; R33-C35 PolarHBondContact O-N 3.02Å; C35-A39 PolarHBondContact O-N 3.39Å; C35-I41 HydrophobicContact CB-CD1 4.38Å |
| 36 | E | 94.9 | Very high | 95.2 | Very high | 89 Ų | 89 | 83 Ų | 83 | 42% | 0.416 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -74.4 | -34.9 | 175.1 | -65 | 172.9 | -154.7 | 0 | 0 | 111.1 | K32 R33 V34 R47 | K32-E36 WeakPolarHBondContact CE-OE1 3.33Å; K32-E36 WeakPolarHBondContact O-CG 3.48Å; K32-E36 PolarHBondContact O-N 2.81Å; R33-E36 WeakPolarHBondContact O-CA 3.5Å; R33-E36 VanDerWaalsContact O-CB 3.31Å; R33-E36 WeakPolarHBondContact O-CB 3.36Å; R33-E36 PolarHBondContact O-N 3.38Å; V34-E36 VanDerWaalsContact C-N 3.26Å; V34-E36 PolarHBondContact O-N 3.29Å; E36-R47 VanDerWaalsContact CD-CZ 3.42Å; E36-R47 HydrophobicContact CG-CG 4.48Å; E36-R47 VanDerWaalsContact CG-NH1 3.27Å; E36-R47 WeakPolarHBondContact OE1-CD 3.44Å; E36-R47 IonicContact OE1-CZ 2.9Å; E36-R47 IonicContact OE1-NE 3.23Å; E36-R47 PolarHBondContact OE1-NE 3.28Å; E36-R47 IonicContact OE1-NH1 3.79Å; E36-R47 PolarHBondContact OE1-NH1 2.9Å; E36-R47 IonicContact OE1-NH2 3.48Å; E36-R47 PolarHBondContact OE1-NH2 2.96Å; E36-R47 IonicContact OE2-CZ 2.88Å; E36-R47 IonicContact OE2-NH1 3.89Å; E36-R47 PolarHBondContact OE2-NH1 3.36Å; E36-R47 VanDerWaalsContact OE2-NH1 3.11Å |
| 37 | E | 94.2 | Very high | 95.3 | Very high | 125 Ų | 125 | 82.5 Ų | 82.5 | 58% | 0.584 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -77.7 | -39.2 | 178.8 | -64.7 | 168.8 | -157.7 | 0 | 0 | 112.5 | R23 R33 V34 | R23-E37 IonicContact CZ-OE2 2.69Å; R23-E37 IonicContact NH2-OE2 3.11Å; R23-E37 PolarHBondContact NH2-OE2 3.07Å; R33-E37 PolarHBondContact O-N 3.33Å; V34-E37 PolarHBondContact O-N 2.94Å |
| 38 | I | 93.3 | Very high | 95.4 | Very high | 37 Ų | 37 | 79.9 Ų | 79.9 | 19% | 0.19 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -77.9 | -37.4 | -173.5 | -67.7 | 169.2 | 0 | 0 | 0 | 112.4 | I16 Y20 V34 | I16-I38 HydrophobicContact CG2-CD1 4.35Å; Y20-I38 HydrophobicContact CD1-CD1 4.28Å; Y20-I38 HydrophobicContact CD2-CD1 3.77Å; Y20-I38 HydrophobicContact CD2-CG1 4.25Å; Y20-I38 HydrophobicContact CD2-CG2 3.68Å; Y20-I38 HydrophobicContact CE2-CB 4.48Å; Y20-I38 HydrophobicContact CE2-CD1 4.37Å; Y20-I38 HydrophobicContact CE2-CG1 4.36Å; Y20-I38 HydrophobicContact CE2-CG2 3.35Å; Y20-I38 HydrophobicContact CG-CD1 3.7Å; Y20-I38 HydrophobicContact CG-CG1 4.34Å; V34-I38 HydrophobicContact CG1-CD1 3.38Å; V34-I38 HydrophobicContact CG1-CG1 4.22Å; V34-I38 VanDerWaalsContact O-CG1 3.27Å; V34-I38 WeakPolarHBondContact O-CG1 3.34Å; V34-I38 PolarHBondContact O-N 3.09Å |
| 39 | A | 92.1 | Very high | 95.3 | Very high | 33 Ų | 33 | 81.9 Ų | 81.9 | 27% | 0.273 | 40% | 0.401 | S | S | . | . | trans | -138.2 | 135.8 | -168 | 0 | 0 | 0 | 0 | 0 | 112.3 | C35 I41 | C35-A39 PolarHBondContact O-N 3.39Å; A39-I41 HydrophobicContact CB-CD1 4.41Å; A39-I41 HydrophobicContact CB-CG1 4.13Å; A39-I41 PolarHBondContact O-N 3.05Å | ||
| 40 | I | 94.8 | Very high | 95.3 | Very high | 178 Ų | 178 | 76 Ų | 76 | 91% | 0.913 | 38% | 0.375 | S | S | * | . | trans | -75 | 95.8 | 172.4 | -55.7 | 171.5 | 0 | 0 | 0 | 108 | ||||
| 41 | I | 94.4 | Very high | 95.4 | Very high | 36 Ų | 36 | 72.9 Ų | 72.9 | 19% | 0.185 | 36% | 0.355 | C | S | . | . | trans | -103.3 | 118.8 | 178.4 | -59.1 | 166.9 | 0 | 0 | 0 | 108.7 | C35 A39 S43 L46 R47 I50 | C35-I41 HydrophobicContact CB-CD1 4.38Å; A39-I41 HydrophobicContact CB-CD1 4.41Å; A39-I41 HydrophobicContact CB-CG1 4.13Å; A39-I41 PolarHBondContact O-N 3.05Å; I41-S43 VanDerWaalsContact C-N 3.34Å; I41-S43 PolarHBondContact O-N 3.32Å; I41-L46 HydrophobicContact CG2-CB 3.95Å; I41-R47 HydrophobicContact CB-CB 4.37Å; I41-R47 HydrophobicContact CD1-CB 4.18Å; I41-R47 HydrophobicContact CD1-CG 4.24Å; I41-R47 HydrophobicContact CG2-CB 3.93Å; I41-I50 HydrophobicContact CD1-CD1 3.95Å; I41-I50 HydrophobicContact CG1-CD1 4.48Å | ||
| 42 | P | 94.1 | Very high | 95.4 | Very high | 123 Ų | 123 | 73.8 Ų | 73.8 | 80% | 0.799 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -72.1 | -25.7 | -168.8 | 27.2 | -35.9 | 0 | 0 | 0 | 113.7 | ||
| 43 | S | 96.4 | Very high | 95.4 | Very high | 46 Ų | 46 | 72.5 Ų | 72.5 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | trans | -126.8 | 138.4 | -175.7 | 68.8 | 0 | 0 | 0 | 0 | 113.7 | I41 K45 L46 R47 | I41-S43 VanDerWaalsContact C-N 3.34Å; I41-S43 PolarHBondContact O-N 3.32Å; S43-K45 VanDerWaalsContact C-N 3.25Å; S43-K45 PolarHBondContact O-N 3.41Å; S43-L46 PolarHBondContact O-N 3.03Å; S43-L46 VanDerWaalsContact O-N 3.14Å; S43-L46 WeakPolarHBondContact OG-CB 3.38Å; S43-L46 VanDerWaalsContact OG-CD1 3.29Å; S43-L46 WeakPolarHBondContact OG-CD1 3.24Å; S43-L46 WeakPolarHBondContact OG-CG 3.48Å; S43-R47 PolarHBondContact O-N 3.36Å; S43-R47 VanDerWaalsContact O-N 3.09Å | ||
| 44 | K | 96 | Very high | 95.4 | Very high | 144 Ų | 144 | 64 Ų | 64 | 63% | 0.626 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -54.3 | -39.7 | 176.1 | -178.2 | 178.7 | 179.7 | 179.7 | 0 | 112.5 | N48 | K44-N48 PolarHBondContact O-N 3.08Å; K44-N48 VanDerWaalsContact O-N 3.08Å; K44-N48 PolarHBondContact O-OD1 3.25Å |
| 45 | K | 95.1 | Very high | 95.4 | Very high | 169 Ų | 169 | 64 Ų | 64 | 74% | 0.735 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67 | -40 | -179.9 | -70.6 | -174.5 | 179.4 | 173.8 | 0 | 112 | S43 K49 | S43-K45 VanDerWaalsContact C-N 3.25Å; S43-K45 PolarHBondContact O-N 3.41Å; K45-K49 WeakPolarHBondContact O-CG 3.34Å; K45-K49 PolarHBondContact O-N 3.13Å; K45-K49 VanDerWaalsContact O-N 3.16Å |
| 46 | L | 95.7 | Very high | 95.4 | Very high | 65 Ų | 65 | 68.7 Ų | 68.7 | 34% | 0.34 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.6 | -44.5 | 177.3 | -71.4 | 176.8 | 0 | 0 | 0 | 111.4 | I41 S43 N48 K49 I50 | I41-L46 HydrophobicContact CG2-CB 3.95Å; S43-L46 PolarHBondContact O-N 3.03Å; S43-L46 VanDerWaalsContact O-N 3.14Å; S43-L46 WeakPolarHBondContact OG-CB 3.38Å; S43-L46 VanDerWaalsContact OG-CD1 3.29Å; S43-L46 WeakPolarHBondContact OG-CD1 3.24Å; S43-L46 WeakPolarHBondContact OG-CG 3.48Å; L46-N48 VanDerWaalsContact C-N 3.32Å; L46-N48 PolarHBondContact O-N 3.24Å; L46-K49 WeakPolarHBondContact O-CB 3.26Å; L46-K49 PolarHBondContact O-N 3.41Å; L46-K49 VanDerWaalsContact O-N 3.1Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 3.45Å |
| 47 | R | 96.4 | Very high | 95.4 | Very high | 51 Ų | 51 | 64.5 Ų | 64.5 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.6 | -48.1 | 175.5 | 178.9 | 179.7 | 59.8 | -173 | 14.6 | 112.1 | K32 E36 I41 S43 K49 I50 A51 | K32-R47 HydrophobicContact CG-CG 4.45Å; E36-R47 VanDerWaalsContact CD-CZ 3.42Å; E36-R47 HydrophobicContact CG-CG 4.48Å; E36-R47 VanDerWaalsContact CG-NH1 3.27Å; E36-R47 WeakPolarHBondContact OE1-CD 3.44Å; E36-R47 IonicContact OE1-CZ 2.9Å; E36-R47 IonicContact OE1-NE 3.23Å; E36-R47 PolarHBondContact OE1-NE 3.28Å; E36-R47 IonicContact OE1-NH1 3.79Å; E36-R47 PolarHBondContact OE1-NH1 2.9Å; E36-R47 IonicContact OE1-NH2 3.48Å; E36-R47 PolarHBondContact OE1-NH2 2.96Å; E36-R47 IonicContact OE2-CZ 2.88Å; E36-R47 IonicContact OE2-NH1 3.89Å; E36-R47 PolarHBondContact OE2-NH1 3.36Å; E36-R47 VanDerWaalsContact OE2-NH1 3.11Å; I41-R47 HydrophobicContact CB-CB 4.37Å; I41-R47 HydrophobicContact CD1-CB 4.18Å; I41-R47 HydrophobicContact CD1-CG 4.24Å; I41-R47 HydrophobicContact CG2-CB 3.93Å; S43-R47 PolarHBondContact O-N 3.36Å; S43-R47 VanDerWaalsContact O-N 3.09Å; R47-K49 VanDerWaalsContact C-N 3.33Å; R47-K49 PolarHBondContact O-N 2.95Å; R47-I50 PolarHBondContact O-N 3.23Å; R47-A51 WeakPolarHBondContact O-CB 3.43Å; R47-A51 PolarHBondContact O-N 3.14Å |
| 48 | N | 96.7 | Very high | 95.3 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.2 | -36.8 | 178.7 | -67.8 | -3.3 | 0 | 0 | 0 | 112.3 | F28 K44 L46 G52 | F28-N48 HydrophobicContact CZ-CB 4.22Å; K44-N48 PolarHBondContact O-N 3.08Å; K44-N48 VanDerWaalsContact O-N 3.08Å; K44-N48 PolarHBondContact O-OD1 3.25Å; L46-N48 VanDerWaalsContact C-N 3.32Å; L46-N48 PolarHBondContact O-N 3.24Å; N48-G52 PolarHBondContact O-N 3.09Å |
| 49 | K | 96.1 | Very high | 95.4 | Very high | 117 Ų | 117 | 62.3 Ų | 62.3 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 175.9 | -74.7 | 175.6 | -179.4 | -177.8 | 0 | 112.1 | V9 K45 L46 R47 Y53 | V9-K49 HydrophobicContact CG1-CB 4.17Å; V9-K49 WeakPolarHBondContact CG1-O 3.46Å; V9-K49 HydrophobicContact CG2-CB 4.1Å; K45-K49 WeakPolarHBondContact O-CG 3.34Å; K45-K49 PolarHBondContact O-N 3.13Å; K45-K49 VanDerWaalsContact O-N 3.16Å; L46-K49 WeakPolarHBondContact O-CB 3.26Å; L46-K49 PolarHBondContact O-N 3.41Å; L46-K49 VanDerWaalsContact O-N 3.1Å; R47-K49 VanDerWaalsContact C-N 3.33Å; R47-K49 PolarHBondContact O-N 2.95Å; K49-Y53 WeakPolarHBondContact O-CB 3.43Å; K49-Y53 PolarHBondContact O-N 2.9Å; K49-Y53 VanDerWaalsContact O-N 3.08Å |
| 50 | I | 96.4 | Very high | 95.5 | Very high | 14 Ų | 14 | 66 Ų | 66 | 7% | 0.072 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.3 | -55.2 | 178 | -66.7 | 164.3 | 0 | 0 | 0 | 109.7 | V9 A12 I16 I41 L46 R47 G52 Y53 V54 | V9-I50 HydrophobicContact CG1-CG1 4.1Å; A12-I50 HydrophobicContact CB-CD1 4.29Å; I16-I50 HydrophobicContact CD1-CG2 3.81Å; I41-I50 HydrophobicContact CD1-CD1 3.95Å; I41-I50 HydrophobicContact CG1-CD1 4.48Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 3.45Å; R47-I50 PolarHBondContact O-N 3.23Å; I50-G52 VanDerWaalsContact C-N 3.26Å; I50-G52 PolarHBondContact O-N 3.31Å; I50-Y53 PolarHBondContact O-N 3.25Å; I50-V54 HydrophobicContact CG2-CG2 4.34Å; I50-V54 WeakPolarHBondContact O-CG2 3.35Å; I50-V54 PolarHBondContact O-N 3.04Å |
| 51 | A | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.1 | -41 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F28 K32 R47 Y53 V54 T55 | F28-A51 HydrophobicContact CD2-CB 4.33Å; F28-A51 HydrophobicContact CE2-CB 3.92Å; K32-A51 HydrophobicContact CB-CB 4.16Å; R47-A51 WeakPolarHBondContact O-CB 3.43Å; R47-A51 PolarHBondContact O-N 3.14Å; A51-Y53 VanDerWaalsContact C-N 3.33Å; A51-Y53 PolarHBondContact O-N 3.1Å; A51-V54 PolarHBondContact O-N 2.98Å; A51-T55 WeakPolarHBondContact O-CG2 3.33Å; A51-T55 PolarHBondContact O-N 3.04Å; A51-T55 VanDerWaalsContact O-N 3.08Å |
| 52 | G | 96.9 | Very high | 95 | Very high | 21 Ų | 21 | 62.2 Ų | 62.2 | 22% | 0.216 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71 | -23.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | N48 I50 T55 | N48-G52 PolarHBondContact O-N 3.09Å; I50-G52 VanDerWaalsContact C-N 3.26Å; I50-G52 PolarHBondContact O-N 3.31Å; G52-T55 PolarHBondContact O-OG1 2.8Å; G52-T55 VanDerWaalsContact O-OG1 3.04Å |
| 53 | Y | 96.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 67 Ų | 67 | 10% | 0.098 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -82.7 | -34.9 | 173 | -166.1 | -111.2 | 0 | 0 | 0 | 111.3 | R5 K10 A13 K49 I50 A51 H56 L57 | R5-Y53 HydrophobicContact CG-CD2 4.24Å; K10-Y53 HydrophobicContact CB-CE1 3.88Å; K10-Y53 HydrophobicContact CG-CD1 4.38Å; K10-Y53 HydrophobicContact CG-CE1 3.71Å; K10-Y53 HydrophobicContact CG-CE2 4.29Å; A13-Y53 HydrophobicContact CB-CD1 3.62Å; A13-Y53 HydrophobicContact CB-CE1 4.42Å; K49-Y53 WeakPolarHBondContact O-CB 3.43Å; K49-Y53 PolarHBondContact O-N 2.9Å; K49-Y53 VanDerWaalsContact O-N 3.08Å; I50-Y53 PolarHBondContact O-N 3.25Å; A51-Y53 VanDerWaalsContact C-N 3.33Å; A51-Y53 PolarHBondContact O-N 3.1Å; Y53-H56 PolarHBondContact O-N 3.21Å; Y53-L57 HydrophobicContact CD1-CD1 3.87Å; Y53-L57 HydrophobicContact CD1-CG 4.32Å; Y53-L57 HydrophobicContact CE1-CD1 3.64Å; Y53-L57 HydrophobicContact CE1-CD2 4.44Å; Y53-L57 HydrophobicContact CE1-CG 4.07Å; Y53-L57 PolarHBondContact O-N 3.05Å |
| 54 | V | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 173.4 | 172.1 | 0 | 0 | 0 | 0 | 111 | A13 I17 L24 I50 A51 H56 L57 M58 | A13-V54 HydrophobicContact CB-CG2 3.72Å; I17-V54 HydrophobicContact CD1-CG1 4.25Å; I17-V54 HydrophobicContact CD1-CG2 4.45Å; I17-V54 HydrophobicContact CG1-CG1 4.08Å; I17-V54 HydrophobicContact CG1-CG2 4.46Å; L24-V54 HydrophobicContact CD1-CG1 3.94Å; L24-V54 HydrophobicContact CD2-CG1 3.96Å; L24-V54 HydrophobicContact CG-CG1 4.44Å; I50-V54 HydrophobicContact CG2-CG2 4.34Å; I50-V54 WeakPolarHBondContact O-CG2 3.35Å; I50-V54 PolarHBondContact O-N 3.04Å; A51-V54 PolarHBondContact O-N 2.98Å; V54-H56 VanDerWaalsContact C-N 3.27Å; V54-H56 PolarHBondContact O-N 3.3Å; V54-L57 PolarHBondContact O-N 3.27Å; V54-L57 VanDerWaalsContact O-N 3.1Å; V54-M58 HydrophobicContact CG1-CG 4.48Å; V54-M58 WeakPolarHBondContact O-CG 3.41Å; V54-M58 PolarHBondContact O-N 2.84Å |
| 55 | T | 96.3 | Very high | 94.2 | Very high | 18 Ų | 18 | 64 Ų | 64 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 176 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | F28 N31 A51 G52 L57 M58 K59 | F28-T55 HydrophobicContact CB-CG2 4.42Å; N31-T55 HydrophobicContact CB-CG2 4.38Å; N31-T55 VanDerWaalsContact ND2-CG2 3.3Å; N31-T55 WeakPolarHBondContact ND2-CG2 3.34Å; A51-T55 WeakPolarHBondContact O-CG2 3.33Å; A51-T55 PolarHBondContact O-N 3.04Å; A51-T55 VanDerWaalsContact O-N 3.08Å; G52-T55 PolarHBondContact O-OG1 2.8Å; G52-T55 VanDerWaalsContact O-OG1 3.04Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-M58 PolarHBondContact O-N 3.32Å; T55-K59 WeakPolarHBondContact O-CG 3.43Å; T55-K59 PolarHBondContact O-N 3.22Å; T55-K59 VanDerWaalsContact O-N 3.14Å |
| 56 | H | 94.5 | Very high | 93.8 | Very high | 99 Ų | 99 | 56.7 Ų | 56.7 | 46% | 0.458 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 176.8 | -172 | 65.7 | 0 | 0 | 0 | 112 | Y53 V54 R60 | Y53-H56 PolarHBondContact O-N 3.21Å; V54-H56 VanDerWaalsContact C-N 3.27Å; V54-H56 PolarHBondContact O-N 3.3Å; H56-R60 WeakPolarHBondContact O-CG 3.45Å; H56-R60 PolarHBondContact O-N 3.27Å |
| 57 | L | 94.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.4 | -41.3 | 174.3 | -72.5 | 175.2 | 0 | 0 | 0 | 111.9 | A13 R14 I17 Y53 V54 T55 K59 R60 I61 V66 I69 | A13-L57 HydrophobicContact CB-CD1 4.48Å; R14-L57 HydrophobicContact CG-CD1 4.46Å; I17-L57 HydrophobicContact CD1-CB 3.6Å; I17-L57 HydrophobicContact CD1-CD1 3.47Å; I17-L57 VanDerWaalsContact CD1-CD1 3.47Å; I17-L57 HydrophobicContact CD1-CG 4.18Å; Y53-L57 HydrophobicContact CD1-CD1 3.87Å; Y53-L57 HydrophobicContact CD1-CG 4.32Å; Y53-L57 HydrophobicContact CE1-CD1 3.64Å; Y53-L57 HydrophobicContact CE1-CD2 4.44Å; Y53-L57 HydrophobicContact CE1-CG 4.07Å; Y53-L57 PolarHBondContact O-N 3.05Å; V54-L57 PolarHBondContact O-N 3.27Å; V54-L57 VanDerWaalsContact O-N 3.1Å; T55-L57 VanDerWaalsContact C-N 3.33Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 2.97Å; L57-R60 WeakPolarHBondContact O-CA 3.49Å; L57-R60 WeakPolarHBondContact O-CB 3.33Å; L57-R60 PolarHBondContact O-N 3.45Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 3.4Å; L57-V66 HydrophobicContact CD2-CG1 4.27Å; L57-I69 HydrophobicContact CD1-CD1 4.06Å; L57-I69 HydrophobicContact CD2-CD1 4.14Å; L57-I69 HydrophobicContact CG-CD1 4.48Å |
| 58 | M | 93.7 | Very high | 92.6 | Very high | 6 Ų | 6 | 65.3 Ų | 65.3 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.4 | -44.9 | 176.4 | -73.2 | -61.6 | 128.4 | 0 | 0 | 112.5 | I17 Y21 L24 V54 T55 R60 I61 Q62 | I17-M58 HydrophobicContact CB-CE 4.06Å; I17-M58 HydrophobicContact CD1-CE 3.81Å; I17-M58 HydrophobicContact CG1-CE 3.56Å; I17-M58 HydrophobicContact CG2-CE 3.42Å; I17-M58 VanDerWaalsContact CG2-CE 3.42Å; Y21-M58 HydrophobicContact CD2-CE 3.86Å; Y21-M58 HydrophobicContact CD2-SD 4.22Å; Y21-M58 HydrophobicContact CE2-CE 3.91Å; Y21-M58 HydrophobicContact CE2-SD 3.8Å; L24-M58 HydrophobicContact CB-SD 4.44Å; L24-M58 HydrophobicContact CD1-CE 4.13Å; V54-M58 HydrophobicContact CG1-CG 4.48Å; V54-M58 WeakPolarHBondContact O-CG 3.41Å; V54-M58 PolarHBondContact O-N 2.84Å; T55-M58 PolarHBondContact O-N 3.32Å; M58-R60 PolarHBondContact O-N 3.29Å; M58-I61 HydrophobicContact CE-CD1 3.62Å; M58-I61 PolarHBondContact O-N 3.13Å; M58-I61 HydrophobicContact SD-CD1 4.26Å; M58-Q62 PolarHBondContact O-N 3.27Å; M58-Q62 VanDerWaalsContact O-N 3.13Å |
| 59 | K | 94 | Very high | 92.1 | Very high | 110 Ų | 110 | 63.3 Ų | 63.3 | 48% | 0.478 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -26.5 | 175.1 | -69.5 | -178.6 | -179.2 | -169.6 | 0 | 113.6 | T55 L57 R63 | T55-K59 WeakPolarHBondContact O-CG 3.43Å; T55-K59 PolarHBondContact O-N 3.22Å; T55-K59 VanDerWaalsContact O-N 3.14Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 2.97Å; K59-R63 WeakPolarHBondContact O-CG 3.41Å |
| 60 | R | 94 | Very high | 91.3 | Very high | 109 Ų | 109 | 60.1 Ų | 60.1 | 41% | 0.411 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -81.3 | -39.6 | 176.1 | -72 | 178.6 | 64.8 | -154.7 | -0.9 | 111.7 | H56 L57 M58 Q62 R63 G64 V66 | H56-R60 WeakPolarHBondContact O-CG 3.45Å; H56-R60 PolarHBondContact O-N 3.27Å; L57-R60 WeakPolarHBondContact O-CA 3.49Å; L57-R60 WeakPolarHBondContact O-CB 3.33Å; L57-R60 PolarHBondContact O-N 3.45Å; M58-R60 PolarHBondContact O-N 3.29Å; R60-Q62 VanDerWaalsContact C-N 3.27Å; R60-Q62 PolarHBondContact O-N 3.18Å; R60-R63 PolarHBondContact O-N 3.25Å; R60-G64 PolarHBondContact O-N 2.9Å; R60-G64 VanDerWaalsContact O-O 3.1Å; R60-V66 HydrophobicContact CB-CG2 3.64Å |
| 61 | I | 91.5 | Very high | 90.7 | Very high | 17 Ų | 17 | 60 Ų | 60 | 9% | 0.087 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 177.1 | -68 | 160.8 | 0 | 0 | 0 | 110.5 | I17 Y21 L57 M58 R63 G64 V66 I69 I71 | I17-I61 HydrophobicContact CG2-CD1 4.13Å; Y21-I61 HydrophobicContact CE2-CD1 4.47Å; Y21-I61 HydrophobicContact CE2-CG2 4.28Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 3.4Å; M58-I61 HydrophobicContact CE-CD1 3.62Å; M58-I61 PolarHBondContact O-N 3.13Å; M58-I61 HydrophobicContact SD-CD1 4.26Å; I61-R63 PolarHBondContact O-N 3.21Å; I61-G64 WeakPolarHBondContact CA-O 3.44Å; I61-G64 PolarHBondContact O-N 3.4Å; I61-V66 HydrophobicContact CG1-CB 4.38Å; I61-V66 HydrophobicContact CG1-CG2 3.87Å; I61-I69 HydrophobicContact CD1-CD1 4.35Å; I61-I71 HydrophobicContact CD1-CD1 4.21Å; I61-I71 HydrophobicContact CG2-CD1 3.89Å |
| 62 | Q | 88.7 | Confident | 89.6 | Confident | 119 Ų | 119 | 67.3 Ų | 67.3 | 56% | 0.556 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.5 | 175.2 | -78.3 | 164.8 | 7.4 | 0 | 0 | 114.2 | N26 M58 R60 | N26-Q62 VanDerWaalsContact CG-NE2 3.3Å; N26-Q62 PolarHBondContact ND2-NE2 3.22Å; N26-Q62 PolarHBondContact ND2-OE1 2.88Å; N26-Q62 VanDerWaalsContact ND2-OE1 3.1Å; N26-Q62 PolarHBondContact OD1-NE2 2.92Å; M58-Q62 PolarHBondContact O-N 3.27Å; M58-Q62 VanDerWaalsContact O-N 3.13Å; R60-Q62 VanDerWaalsContact C-N 3.27Å; R60-Q62 PolarHBondContact O-N 3.18Å |
| 63 | R | 90.9 | Very high | 88.6 | Confident | 223 Ų | 223 | 71.7 Ų | 71.7 | 84% | 0.842 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -18.2 | 179 | -65 | 174.9 | -176.9 | -174.9 | -3.2 | 112.7 | K59 R60 I61 | K59-R63 WeakPolarHBondContact O-CG 3.41Å; R60-R63 PolarHBondContact O-N 3.25Å; I61-R63 PolarHBondContact O-N 3.21Å |
| 64 | G | 88.4 | Confident | 87.7 | Confident | 27 Ų | 27 | 72.4 Ų | 72.4 | 28% | 0.278 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 160.3 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R60 I61 V66 | R60-G64 PolarHBondContact O-N 2.9Å; R60-G64 VanDerWaalsContact O-O 3.1Å; I61-G64 WeakPolarHBondContact CA-O 3.44Å; I61-G64 PolarHBondContact O-N 3.4Å; G64-V66 PolarHBondContact O-N 2.98Å |
| 65 | P | 89.4 | Confident | 86.8 | Confident | 100 Ų | 100 | 76.2 Ų | 76.2 | 65% | 0.649 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 128.3 | -178.1 | 26.5 | -33.6 | 0 | 0 | 0 | 111.1 | ||
| 66 | V | 87.3 | Confident | 85.8 | Confident | 15 Ų | 15 | 80.3 Ų | 80.3 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -98.2 | 130.2 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | L57 R60 I61 G64 I69 | L57-V66 HydrophobicContact CD2-CG1 4.27Å; R60-V66 HydrophobicContact CB-CG2 3.64Å; I61-V66 HydrophobicContact CG1-CB 4.38Å; I61-V66 HydrophobicContact CG1-CG2 3.87Å; G64-V66 PolarHBondContact O-N 2.98Å; V66-I69 HydrophobicContact CB-CD1 4.29Å; V66-I69 HydrophobicContact CG1-CD1 4.02Å |
| 67 | R | 84.1 | Confident | 85 | Confident | 237 Ų | 237 | 81.5 Ų | 81.5 | 89% | 0.894 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 135.6 | 178.6 | -60.6 | -175 | -177.6 | -177.6 | -0.2 | 111.9 | ||
| 68 | G | 82.6 | Confident | 84.3 | Confident | 61 Ų | 61 | 87.7 Ų | 87.7 | 63% | 0.629 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 29.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R14 | R14-G68 WeakPolarHBondContact CD-O 3.48Š|
| 69 | I | 85.9 | Confident | 83.5 | Confident | 11 Ų | 11 | 93.1 Ų | 93.1 | 6% | 0.056 | 44% | 0.444 | C | S | . | . | trans | -134.2 | 118.5 | 166.2 | -56.5 | 177 | 0 | 0 | 0 | 105.7 | R14 I17 E18 L57 I61 V66 I71 | R14-I69 HydrophobicContact CG-CD1 4.46Å; R14-I69 HydrophobicContact CG-CG1 4.05Å; I17-I69 HydrophobicContact CG2-CG2 3.77Å; E18-I69 HydrophobicContact CG-CG2 4.25Å; L57-I69 HydrophobicContact CD1-CD1 4.06Å; L57-I69 HydrophobicContact CD2-CD1 4.14Å; L57-I69 HydrophobicContact CG-CD1 4.48Å; I61-I69 HydrophobicContact CD1-CD1 4.35Å; V66-I69 HydrophobicContact CB-CD1 4.29Å; V66-I69 HydrophobicContact CG1-CD1 4.02Å; I69-I71 HydrophobicContact CG2-CG1 4.03Å | ||
| 70 | S | 80 | Confident | 83 | Confident | 50 Ų | 50 | 97 Ų | 97 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | trans | -90.3 | 119.1 | 166.3 | 38.1 | 0 | 0 | 0 | 0 | 108.6 | E75 | S70-E75 WeakPolarHBondContact CB-OE1 3.39Š| ||
| 71 | I | 82.8 | Confident | 82.3 | Confident | 11 Ų | 11 | 101 Ų | 101 | 6% | 0.056 | 47% | 0.471 | C | S | . | . | trans | -104.6 | 126.5 | 166 | -57.3 | 176 | 0 | 0 | 0 | 104.8 | Y21 I61 I69 L73 Q74 E75 | Y21-I71 HydrophobicContact CD1-CG2 4.35Å; Y21-I71 HydrophobicContact CD2-CD1 3.92Å; Y21-I71 HydrophobicContact CD2-CG1 4.48Å; Y21-I71 HydrophobicContact CE2-CD1 3.76Å; Y21-I71 HydrophobicContact CG-CG2 4.26Å; I61-I71 HydrophobicContact CD1-CD1 4.21Å; I61-I71 HydrophobicContact CG2-CD1 3.89Å; I69-I71 HydrophobicContact CG2-CG1 4.03Å; I71-L73 HydrophobicContact CG2-CB 3.94Å; I71-L73 PolarHBondContact O-N 2.73Å; I71-L73 VanDerWaalsContact O-N 3.09Å; I71-Q74 HydrophobicContact CB-CB 4.44Å; I71-Q74 HydrophobicContact CB-CG 4.08Å; I71-Q74 WeakPolarHBondContact O-CA 3.42Å; I71-Q74 WeakPolarHBondContact O-CB 3.44Å; I71-Q74 PolarHBondContact O-N 3.39Å; I71-E75 PolarHBondContact O-N 3.37Å | ||
| 72 | K | 74.9 | Confident | 81.9 | Confident | 153 Ų | 153 | 106.6 Ų | 106.6 | 67% | 0.665 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -50.6 | -38.8 | -179.6 | -64.1 | -176.4 | 176.6 | -173.5 | 0 | 112.6 | Q74 E75 E76 | K72-Q74 VanDerWaalsContact C-N 3.26Å; K72-Q74 PolarHBondContact O-N 3.17Å; K72-E75 PolarHBondContact O-N 3.03Å; K72-E76 PolarHBondContact O-N 3.19Å |
| 73 | L | 75.4 | Confident | 81.7 | Confident | 114 Ų | 114 | 106.9 Ų | 106.9 | 60% | 0.597 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.4 | -35.2 | 175.7 | -166.3 | 72.1 | 0 | 0 | 0 | 113.4 | I71 E77 | I71-L73 HydrophobicContact CG2-CB 3.94Å; I71-L73 PolarHBondContact O-N 2.73Å; I71-L73 VanDerWaalsContact O-N 3.09Å; L73-E77 PolarHBondContact O-N 2.86Å |
| 74 | Q | 76.2 | Confident | 81.4 | Confident | 39 Ų | 39 | 104.4 Ų | 104.4 | 18% | 0.182 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -77.7 | -28.5 | 176.5 | -66.4 | 179.6 | -12.8 | 0 | 0 | 112.4 | I71 K72 R78 | I71-Q74 HydrophobicContact CB-CB 4.44Å; I71-Q74 HydrophobicContact CB-CG 4.08Å; I71-Q74 WeakPolarHBondContact O-CA 3.42Å; I71-Q74 WeakPolarHBondContact O-CB 3.44Å; I71-Q74 PolarHBondContact O-N 3.39Å; K72-Q74 VanDerWaalsContact C-N 3.26Å; K72-Q74 PolarHBondContact O-N 3.17Å; Q74-R78 WeakPolarHBondContact O-CB 3.14Å; Q74-R78 VanDerWaalsContact O-CG 3.26Å; Q74-R78 WeakPolarHBondContact O-CG 3.27Å; Q74-R78 PolarHBondContact O-N 3.37Å |
| 75 | E | 76.9 | Confident | 81.2 | Confident | 81 Ų | 81 | 108.8 Ų | 108.8 | 38% | 0.379 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.2 | -44.9 | 177.2 | -71.5 | 169.6 | 166 | 0 | 0 | 110.1 | S70 I71 K72 E77 R78 E79 | S70-E75 WeakPolarHBondContact CB-OE1 3.39Å; I71-E75 PolarHBondContact O-N 3.37Å; K72-E75 PolarHBondContact O-N 3.03Å; E75-E77 VanDerWaalsContact C-N 3.34Å; E75-E77 PolarHBondContact O-N 3.39Å; E75-R78 PolarHBondContact O-N 3.29Å; E75-E79 WeakPolarHBondContact O-CG 3.17Å; E75-E79 PolarHBondContact O-N 3.27Å |
| 76 | E | 75 | Confident | 81 | Confident | 103 Ų | 103 | 106.9 Ų | 106.9 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 175.4 | -69.3 | 173.2 | -162.3 | 0 | 0 | 112.7 | K72 R80 | K72-E76 PolarHBondContact O-N 3.19Å; E76-R80 WeakPolarHBondContact O-CG 3.44Å; E76-R80 PolarHBondContact O-N 3.37Å |
| 77 | E | 78.1 | Confident | 80.8 | Confident | 124 Ų | 124 | 115.6 Ų | 115.6 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.6 | -33.5 | 177.9 | -164.1 | 171.9 | -171.9 | 0 | 0 | 112.3 | L73 E75 R81 | L73-E77 PolarHBondContact O-N 2.86Å; E75-E77 VanDerWaalsContact C-N 3.34Å; E75-E77 PolarHBondContact O-N 3.39Å; E77-R81 WeakPolarHBondContact O-CG 2.99Å; E77-R81 PolarHBondContact O-N 3.05Å |
| 78 | R | 80.2 | Confident | 80.8 | Confident | 131 Ų | 131 | 109.4 Ų | 109.4 | 49% | 0.494 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 171.8 | -80.3 | 179.1 | -175 | 149.7 | 7.5 | 111.8 | Q74 E75 R80 R81 D82 | Q74-R78 WeakPolarHBondContact O-CB 3.14Å; Q74-R78 VanDerWaalsContact O-CG 3.26Å; Q74-R78 WeakPolarHBondContact O-CG 3.27Å; Q74-R78 PolarHBondContact O-N 3.37Å; E75-R78 PolarHBondContact O-N 3.29Å; R78-R80 VanDerWaalsContact C-N 3.25Å; R78-R80 PolarHBondContact O-N 3.04Å; R78-R81 WeakPolarHBondContact O-CA 3.38Å; R78-R81 WeakPolarHBondContact O-CB 3.26Å; R78-R81 PolarHBondContact O-N 3.2Å; R78-D82 PolarHBondContact O-N 3.37Å |
| 79 | E | 77.4 | Confident | 80.7 | Confident | 120 Ų | 120 | 108.8 Ų | 108.8 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.2 | -38.2 | 177.9 | -76.7 | 176.5 | -172.8 | 0 | 0 | 111.7 | E75 R81 N83 | E75-E79 WeakPolarHBondContact O-CG 3.17Å; E75-E79 PolarHBondContact O-N 3.27Å; E79-R81 VanDerWaalsContact C-N 3.33Å; E79-R81 PolarHBondContact O-N 3.06Å; E79-N83 WeakPolarHBondContact O-CB 3.49Å; E79-N83 PolarHBondContact O-N 3.3Å; E79-N83 PolarHBondContact O-ND2 2.95Å |
| 80 | R | 82.7 | Confident | 80.4 | Confident | 192 Ų | 192 | 112.1 Ų | 112.1 | 73% | 0.725 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66 | -33.9 | 173.8 | -70.8 | -178.9 | -171.4 | 167.3 | 5.5 | 113.5 | E76 R78 | E76-R80 WeakPolarHBondContact O-CG 3.44Å; E76-R80 PolarHBondContact O-N 3.37Å; R78-R80 VanDerWaalsContact C-N 3.25Å; R78-R80 PolarHBondContact O-N 3.04Å |
| 81 | R | 80 | Confident | 80.3 | Confident | 193 Ų | 193 | 117.4 Ų | 117.4 | 73% | 0.728 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -74 | -44.2 | 177.5 | -73.3 | -77 | -173.2 | 173.8 | -0.2 | 111.4 | E77 R78 E79 Y84 | E77-R81 WeakPolarHBondContact O-CG 2.99Å; E77-R81 PolarHBondContact O-N 3.05Å; R78-R81 WeakPolarHBondContact O-CA 3.38Å; R78-R81 WeakPolarHBondContact O-CB 3.26Å; R78-R81 PolarHBondContact O-N 3.2Å; E79-R81 VanDerWaalsContact C-N 3.33Å; E79-R81 PolarHBondContact O-N 3.06Å; R81-Y84 VanDerWaalsContact O-CB 3.28Å; R81-Y84 WeakPolarHBondContact O-CB 3.28Å; R81-Y84 PolarHBondContact O-N 2.85Å |
| 82 | D | 83.2 | Confident | 79.9 | Confident | 134 Ų | 134 | 122.3 Ų | 122.3 | 72% | 0.717 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73.1 | -33.5 | -177.3 | -66.8 | -16.8 | 0 | 0 | 0 | 111.5 | R78 Y84 | R78-D82 PolarHBondContact O-N 3.37Å; D82-Y84 PolarHBondContact O-N 3.47Å |
| 83 | N | 83.9 | Confident | 80.1 | Confident | 126 Ų | 126 | 121.3 Ų | 121.3 | 67% | 0.674 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 4.8 | 174.5 | -65.1 | -31.4 | 0 | 0 | 0 | 113.6 | E79 V85 | E79-N83 WeakPolarHBondContact O-CB 3.49Å; E79-N83 PolarHBondContact O-N 3.3Å; E79-N83 PolarHBondContact O-ND2 2.95Å; N83-V85 PolarHBondContact O-N 2.98Å |
| 84 | Y | 85 | Confident | 80 | Confident | 170 Ų | 170 | 125.5 Ų | 125.5 | 67% | 0.667 | 61% | 0.614 | S | S | * | * | trans | -75 | 98.8 | 177 | -176.5 | -98.7 | 0 | 0 | 0 | 109.8 | R81 D82 P86 | R81-Y84 VanDerWaalsContact O-CB 3.28Å; R81-Y84 WeakPolarHBondContact O-CB 3.28Å; R81-Y84 PolarHBondContact O-N 2.85Å; D82-Y84 PolarHBondContact O-N 3.47Å; Y84-P86 HydrophobicContact CE1-CB 4.27Å | ||
| 85 | V | 84.1 | Confident | 80.3 | Confident | 119 Ų | 119 | 130 Ų | 130 | 72% | 0.721 | 64% | 0.638 | S | S | * | * | trans | -90.3 | 115.6 | 168.9 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | N83 | N83-V85 PolarHBondContact O-N 2.98Š| ||
| 86 | P | 85.9 | Confident | 80.4 | Confident | 60 Ų | 60 | 132.6 Ų | 132.6 | 39% | 0.39 | 65% | 0.653 | S | S | . | * | trans | -63.5 | 151.9 | 174.2 | 28.5 | -34.2 | 0 | 0 | 0 | 110.2 | Y84 V88 | Y84-P86 HydrophobicContact CE1-CB 4.27Å; P86-V88 PolarHBondContact O-N 3.01Å | ||
| 87 | E | 81.6 | Confident | 80.6 | Confident | 199 Ų | 199 | 136.8 Ų | 136.8 | 93% | 0.93 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -61.1 | -29.1 | 178.3 | -65.3 | -179.8 | 177.3 | 0 | 0 | 112.8 | ||
| 88 | V | 84.1 | Confident | 81.1 | Confident | 107 Ų | 107 | 133.5 Ų | 133.5 | 65% | 0.648 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -115 | 117.3 | 175.7 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | P86 | P86-V88 PolarHBondContact O-N 3.01Š|
| 89 | S | 82.1 | Confident | 81.6 | Confident | 48 Ų | 48 | 132.8 Ų | 132.8 | 34% | 0.336 | 67% | 0.667 | S | S | . | * | trans | -70.6 | 136 | 173.4 | -50.2 | 0 | 0 | 0 | 0 | 108.7 | L91 D92 | S89-L91 PolarHBondContact O-N 3.26Å; S89-D92 VanDerWaalsContact CB-OD2 3.23Å; S89-D92 WeakPolarHBondContact CB-OD2 3.24Å; S89-D92 PolarHBondContact O-N 3.24Å; S89-D92 PolarHBondContact OG-OD2 3.25Å | ||
| 90 | A | 79.2 | Confident | 82.1 | Confident | 81 Ų | 81 | 131.2 Ų | 131.2 | 67% | 0.669 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -16.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q93 | A90-Q93 PolarHBondContact O-NE2 3.49Š|
| 91 | L | 77.6 | Confident | 82.4 | Confident | 161 Ų | 161 | 128 Ų | 128 | 84% | 0.843 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -17.5 | 177.7 | -57.7 | 178 | 0 | 0 | 0 | 113.5 | S89 Q93 | S89-L91 PolarHBondContact O-N 3.26Å; L91-Q93 PolarHBondContact O-N 2.97Å |
| 92 | D | 74.4 | Confident | 82.7 | Confident | 114 Ų | 114 | 121.3 Ų | 121.3 | 61% | 0.61 | 65% | 0.645 | S | S | * | * | trans | -80.7 | 57.7 | 178.3 | -64.1 | -34.2 | 0 | 0 | 0 | 109.9 | S89 | S89-D92 VanDerWaalsContact CB-OD2 3.23Å; S89-D92 WeakPolarHBondContact CB-OD2 3.24Å; S89-D92 PolarHBondContact O-N 3.24Å; S89-D92 PolarHBondContact OG-OD2 3.25Å | ||
| 93 | Q | 78.3 | Confident | 82.8 | Confident | 131 Ų | 131 | 120.6 Ų | 120.6 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | trans | -96.6 | 120.7 | 170.3 | -70.1 | 170.3 | 30.7 | 0 | 0 | 107.8 | A90 L91 I95 | A90-Q93 PolarHBondContact O-NE2 3.49Å; L91-Q93 PolarHBondContact O-N 2.97Å; Q93-I95 PolarHBondContact O-N 2.98Å; Q93-I95 VanDerWaalsContact O-N 3.12Å | ||
| 94 | E | 74.4 | Confident | 83 | Confident | 202 Ų | 202 | 120.1 Ų | 120.1 | 94% | 0.944 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -62.8 | -19.4 | -178.7 | -64.3 | -179.9 | 176.6 | 0 | 0 | 112.8 | ||
| 95 | I | 82.5 | Confident | 83 | Confident | 134 Ų | 134 | 116.8 Ų | 116.8 | 69% | 0.687 | 62% | 0.621 | S | S | * | * | trans | -130.8 | 112.5 | -175.4 | -53.4 | 172.8 | 0 | 0 | 0 | 108.8 | Q93 | Q93-I95 PolarHBondContact O-N 2.98Å; Q93-I95 VanDerWaalsContact O-N 3.12Å | ||
| 96 | I | 79.2 | Confident | 83.1 | Confident | 136 Ų | 136 | 115 Ų | 115 | 70% | 0.697 | 61% | 0.607 | S | S | * | * | trans | -97.9 | 115.8 | 171.7 | -54.6 | 168.4 | 0 | 0 | 0 | 107.6 | V98 | I96-V98 HydrophobicContact CB-CG2 4.35Å; I96-V98 HydrophobicContact CG2-CG2 3.74Å; I96-V98 PolarHBondContact O-N 3.33Å | ||
| 97 | E | 79.6 | Confident | 83 | Confident | 190 Ų | 190 | 118.7 Ų | 118.7 | 89% | 0.888 | 62% | 0.617 | S | S | * | * | trans | -74.7 | 117.1 | 169.5 | -67.3 | -171.8 | 166.2 | 0 | 0 | 109.1 | ||||
| 98 | V | 86.9 | Confident | 83.1 | Confident | 56 Ų | 56 | 114.7 Ų | 114.7 | 34% | 0.339 | 60% | 0.601 | S | S | . | * | trans | -119 | 125.9 | -176.7 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | I96 T102 K103 L106 | I96-V98 HydrophobicContact CB-CG2 4.35Å; I96-V98 HydrophobicContact CG2-CG2 3.74Å; I96-V98 PolarHBondContact O-N 3.33Å; V98-T102 WeakPolarHBondContact CG1-OG1 3.23Å; V98-K103 HydrophobicContact CG1-CB 4.42Å; V98-K103 HydrophobicContact CG1-CG 4.24Å; V98-L106 HydrophobicContact CG1-CD1 4.42Å | ||
| 99 | D | 91.4 | Very high | 83 | Confident | 115 Ų | 115 | 114.3 Ų | 114.3 | 62% | 0.615 | 60% | 0.595 | S | S | * | * | trans | -56.4 | 151 | 174.1 | -67.2 | -53.6 | 0 | 0 | 0 | 111.9 | D101 T102 K103 | D99-D101 VanDerWaalsContact C-N 3.32Å; D99-D101 PolarHBondContact O-N 3.06Å; D99-T102 PolarHBondContact N-OG1 3.26Å; D99-T102 PolarHBondContact O-N 2.89Å; D99-T102 PolarHBondContact O-OG1 3.33Å; D99-K103 PolarHBondContact O-N 2.88Å; D99-K103 VanDerWaalsContact O-N 3.1Å | ||
| 100 | P | 88.6 | Confident | 82.7 | Confident | 88 Ų | 88 | 117.5 Ų | 117.5 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.1 | -41.2 | -178.9 | 23 | -32.8 | 0 | 0 | 0 | 112.7 | T102 K103 E104 | P100-T102 PolarHBondContact O-N 3.24Å; P100-K103 VanDerWaalsContact O-CB 3.24Å; P100-K103 WeakPolarHBondContact O-CB 3.4Å; P100-K103 PolarHBondContact O-N 3.14Å; P100-E104 PolarHBondContact O-N 3.38Å; P100-E104 VanDerWaalsContact O-N 3.1Å |
| 101 | D | 89.2 | Confident | 82.6 | Confident | 124 Ų | 124 | 116.9 Ų | 116.9 | 66% | 0.663 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.7 | -39.3 | -178 | -60.7 | -12.8 | 0 | 0 | 0 | 112.4 | D99 K103 E104 M105 | D99-D101 VanDerWaalsContact C-N 3.32Å; D99-D101 PolarHBondContact O-N 3.06Å; D101-K103 VanDerWaalsContact C-N 3.32Å; D101-E104 PolarHBondContact O-N 3.03Å; D101-M105 PolarHBondContact O-N 3.47Å |
| 102 | T | 85.2 | Confident | 82.2 | Confident | 52 Ų | 52 | 118.1 Ų | 118.1 | 32% | 0.319 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.9 | -31.7 | 176.6 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | V98 D99 P100 E104 M105 L106 | V98-T102 WeakPolarHBondContact CG1-OG1 3.23Å; D99-T102 PolarHBondContact N-OG1 3.26Å; D99-T102 PolarHBondContact O-N 2.89Å; D99-T102 PolarHBondContact O-OG1 3.33Å; P100-T102 PolarHBondContact O-N 3.24Å; T102-E104 VanDerWaalsContact C-N 3.34Å; T102-E104 PolarHBondContact O-N 3.13Å; T102-M105 PolarHBondContact O-N 3.34Å; T102-L106 WeakPolarHBondContact O-CB 3.48Å; T102-L106 WeakPolarHBondContact O-CG 3.44Å; T102-L106 PolarHBondContact O-N 3.05Å |
| 103 | K | 86.6 | Confident | 81.8 | Confident | 119 Ų | 119 | 116.3 Ų | 116.3 | 52% | 0.517 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.7 | -40 | 170.7 | -123.6 | 171.8 | -173 | 166.8 | 0 | 112.3 | V98 D99 P100 D101 K107 | V98-K103 HydrophobicContact CG1-CB 4.42Å; V98-K103 HydrophobicContact CG1-CG 4.24Å; D99-K103 PolarHBondContact O-N 2.88Å; D99-K103 VanDerWaalsContact O-N 3.1Å; P100-K103 VanDerWaalsContact O-CB 3.24Å; P100-K103 WeakPolarHBondContact O-CB 3.4Å; P100-K103 PolarHBondContact O-N 3.14Å; D101-K103 VanDerWaalsContact C-N 3.32Å; K103-K107 VanDerWaalsContact O-CG 3.3Å; K103-K107 WeakPolarHBondContact O-CG 3.42Å; K103-K107 PolarHBondContact O-N 3.32Å |
| 104 | E | 86.3 | Confident | 81.1 | Confident | 117 Ų | 117 | 112.7 Ų | 112.7 | 55% | 0.547 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.6 | -44 | 176.7 | -69.1 | -177.9 | -178.9 | 0 | 0 | 111.9 | P100 D101 T102 L106 K107 L108 | P100-E104 PolarHBondContact O-N 3.38Å; P100-E104 VanDerWaalsContact O-N 3.1Å; D101-E104 PolarHBondContact O-N 3.03Å; T102-E104 VanDerWaalsContact C-N 3.34Å; T102-E104 PolarHBondContact O-N 3.13Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 3.12Å; E104-K107 WeakPolarHBondContact O-CB 3.38Å; E104-K107 PolarHBondContact O-N 3.12Å; E104-L108 WeakPolarHBondContact O-CG 3.28Å; E104-L108 PolarHBondContact O-N 3.36Å; E104-L108 VanDerWaalsContact O-N 3.1Å |
| 105 | M | 86.5 | Confident | 80.6 | Confident | 100 Ų | 100 | 106.9 Ų | 106.9 | 49% | 0.493 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -56.3 | -44.2 | 172.3 | -177.2 | -170.8 | 67.1 | 0 | 0 | 111.8 | D101 T102 L108 L109 | D101-M105 PolarHBondContact O-N 3.47Å; T102-M105 PolarHBondContact O-N 3.34Å; M105-L108 PolarHBondContact O-N 2.97Å; M105-L109 HydrophobicContact CG-CD1 4.46Å; M105-L109 WeakPolarHBondContact O-CG 3.28Å; M105-L109 PolarHBondContact O-N 3.18Å; M105-L109 VanDerWaalsContact O-N 3.08Å |
| 106 | L | 84.5 | Confident | 79.4 | Confident | 81 Ų | 81 | 107.7 Ų | 107.7 | 42% | 0.424 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.3 | -40.3 | 177.5 | -73.8 | 170.1 | 0 | 0 | 0 | 112.5 | V98 T102 E104 L108 L109 L110 | V98-L106 HydrophobicContact CG1-CD1 4.42Å; T102-L106 WeakPolarHBondContact O-CB 3.48Å; T102-L106 WeakPolarHBondContact O-CG 3.44Å; T102-L106 PolarHBondContact O-N 3.05Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 3.12Å; L106-L108 VanDerWaalsContact C-N 3.31Å; L106-L108 PolarHBondContact O-N 2.93Å; L106-L109 PolarHBondContact O-N 3.12Å; L106-L110 WeakPolarHBondContact O-CB 3.48Å; L106-L110 VanDerWaalsContact O-CG 3.28Å; L106-L110 WeakPolarHBondContact O-CG 3.21Å; L106-L110 PolarHBondContact O-N 3.17Å |
| 107 | K | 84.6 | Confident | 78.5 | Confident | 137 Ų | 137 | 105.4 Ų | 105.4 | 60% | 0.596 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.1 | -41.5 | 175.4 | -74.3 | 169.3 | -175.7 | 174.4 | 0 | 111.8 | K103 E104 A111 | K103-K107 VanDerWaalsContact O-CG 3.3Å; K103-K107 WeakPolarHBondContact O-CG 3.42Å; K103-K107 PolarHBondContact O-N 3.32Å; E104-K107 WeakPolarHBondContact O-CB 3.38Å; E104-K107 PolarHBondContact O-N 3.12Å; K107-A111 WeakPolarHBondContact O-CB 3.42Å; K107-A111 PolarHBondContact O-N 3.49Å |
| 108 | L | 83.8 | Confident | 77.5 | Confident | 115 Ų | 115 | 99.2 Ų | 99.2 | 60% | 0.602 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.9 | -48.2 | 177.6 | -65.7 | 174.6 | 0 | 0 | 0 | 111 | E104 M105 L106 L110 A111 Y112 | E104-L108 WeakPolarHBondContact O-CG 3.28Å; E104-L108 PolarHBondContact O-N 3.36Å; E104-L108 VanDerWaalsContact O-N 3.1Å; M105-L108 PolarHBondContact O-N 2.97Å; L106-L108 VanDerWaalsContact C-N 3.31Å; L106-L108 PolarHBondContact O-N 2.93Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 3.39Å; L108-A111 WeakPolarHBondContact O-CB 3.1Å; L108-A111 PolarHBondContact O-N 3.48Å; L108-Y112 WeakPolarHBondContact O-CD2 3.37Å; L108-Y112 PolarHBondContact O-N 3.32Å |
| 109 | L | 81.9 | Confident | 76.1 | Confident | 99 Ų | 99 | 99.1 Ų | 99.1 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 177.1 | -68.5 | 174.2 | 0 | 0 | 0 | 112.2 | M105 L106 A111 Y112 V113 | M105-L109 HydrophobicContact CG-CD1 4.46Å; M105-L109 WeakPolarHBondContact O-CG 3.28Å; M105-L109 PolarHBondContact O-N 3.18Å; M105-L109 VanDerWaalsContact O-N 3.08Å; L106-L109 PolarHBondContact O-N 3.12Å; L109-A111 VanDerWaalsContact C-N 3.31Å; L109-A111 PolarHBondContact O-N 3.09Å; L109-Y112 PolarHBondContact O-N 3.42Å; L109-V113 VanDerWaalsContact O-CG2 3.28Å; L109-V113 WeakPolarHBondContact O-CG2 3.32Å; L109-V113 PolarHBondContact O-N 3.37Å |
| 110 | L | 76.3 | Confident | 74.3 | Confident | 116 Ų | 116 | 98.6 Ų | 98.6 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.3 | -34.9 | 177 | -73.6 | 171.7 | 0 | 0 | 0 | 112.4 | L106 L108 Y112 V113 A114 | L106-L110 WeakPolarHBondContact O-CB 3.48Å; L106-L110 VanDerWaalsContact O-CG 3.28Å; L106-L110 WeakPolarHBondContact O-CG 3.21Å; L106-L110 PolarHBondContact O-N 3.17Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 3.39Å; L110-Y112 VanDerWaalsContact C-N 3.28Å; L110-Y112 PolarHBondContact O-N 3.5Å; L110-V113 PolarHBondContact O-N 3.12Å; L110-A114 WeakPolarHBondContact O-CB 3.13Å; L110-A114 PolarHBondContact O-N 3.31Å |
| 111 | A | 76.9 | Confident | 72.6 | Confident | 68 Ų | 68 | 97.6 Ų | 97.6 | 56% | 0.562 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64 | -30.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K107 L108 L109 P115 | K107-A111 WeakPolarHBondContact O-CB 3.42Å; K107-A111 PolarHBondContact O-N 3.49Å; L108-A111 WeakPolarHBondContact O-CB 3.1Å; L108-A111 PolarHBondContact O-N 3.48Å; L109-A111 VanDerWaalsContact C-N 3.31Å; L109-A111 PolarHBondContact O-N 3.09Å; A111-P115 WeakPolarHBondContact O-CD 3.14Å |
| 112 | Y | 69.8 | Low | 70.7 | Confident | 187 Ų | 187 | 98.9 Ų | 98.9 | 73% | 0.733 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -83.2 | -32.2 | 175 | -73.4 | -78.2 | 0 | 0 | 0 | 113.4 | L108 L109 L110 | L108-Y112 WeakPolarHBondContact O-CD2 3.37Å; L108-Y112 PolarHBondContact O-N 3.32Å; L109-Y112 PolarHBondContact O-N 3.42Å; L110-Y112 VanDerWaalsContact C-N 3.28Å; L110-Y112 PolarHBondContact O-N 3.5Å |
| 113 | V | 66.2 | Low | 69.1 | Low | 75 Ų | 75 | 100.7 Ų | 100.7 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -85.9 | -32.6 | -175.9 | 175.6 | 0 | 0 | 0 | 0 | 112.6 | L109 L110 F116 V117 | L109-V113 VanDerWaalsContact O-CG2 3.28Å; L109-V113 WeakPolarHBondContact O-CG2 3.32Å; L109-V113 PolarHBondContact O-N 3.37Å; L110-V113 PolarHBondContact O-N 3.12Å; V113-F116 WeakPolarHBondContact O-CB 3.37Å; V113-F116 PolarHBondContact O-N 3.36Å; V113-V117 HydrophobicContact CG1-CG2 3.78Å; V113-V117 PolarHBondContact O-N 2.75Å |
| 114 | A | 62 | Low | 67.3 | Low | 56 Ų | 56 | 99.4 Ų | 99.4 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -55.7 | -43.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L110 F116 S118 | L110-A114 WeakPolarHBondContact O-CB 3.13Å; L110-A114 PolarHBondContact O-N 3.31Å; A114-F116 PolarHBondContact O-N 3.03Å; A114-S118 PolarHBondContact O-N 2.91Å; A114-S118 VanDerWaalsContact O-N 3.16Å; A114-S118 PolarHBondContact O-OG 3.16Å |
| 115 | P | 64.2 | Low | 65.2 | Low | 80 Ų | 80 | 97.8 Ų | 97.8 | 52% | 0.519 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.7 | -23.7 | 175.2 | 24.7 | -32.8 | 0 | 0 | 0 | 113.1 | A111 S118 A119 | A111-P115 WeakPolarHBondContact O-CD 3.14Å; P115-S118 WeakPolarHBondContact CA-OG 3.3Å; P115-S118 PolarHBondContact O-OG 3.07Å; P115-A119 WeakPolarHBondContact O-CB 3.49Å; P115-A119 PolarHBondContact O-N 3.5Å |
| 116 | F | 56.8 | Low | 63.1 | Low | 150 Ų | 150 | 100.2 Ų | 100.2 | 66% | 0.658 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -80.7 | -37.6 | 179.1 | -161.8 | -97.9 | 0 | 0 | 0 | 112.4 | V113 A114 L120 | V113-F116 WeakPolarHBondContact O-CB 3.37Å; V113-F116 PolarHBondContact O-N 3.36Å; A114-F116 PolarHBondContact O-N 3.03Å; F116-L120 HydrophobicContact CD1-CD1 4.12Å; F116-L120 HydrophobicContact CE1-CD1 3.97Å; F116-L120 PolarHBondContact O-N 2.93Å |
| 117 | V | 61.4 | Low | 61.5 | Low | 89 Ų | 89 | 101.6 Ų | 101.6 | 54% | 0.539 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73.8 | -35.7 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | V113 L120 A121 | V113-V117 HydrophobicContact CG1-CG2 3.78Å; V113-V117 PolarHBondContact O-N 2.75Å; V117-L120 PolarHBondContact O-N 3.42Å; V117-A121 PolarHBondContact O-N 3.1Å; V117-A121 VanDerWaalsContact O-N 3.12Å |
| 118 | S | 58.9 | Low | 59.9 | Low | 59 Ų | 59 | 99.1 Ų | 99.1 | 41% | 0.413 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.7 | -39.4 | 174.8 | 46.8 | 0 | 0 | 0 | 0 | 112.8 | A114 P115 L120 A121 E122 | A114-S118 PolarHBondContact O-N 2.91Å; A114-S118 VanDerWaalsContact O-N 3.16Å; A114-S118 PolarHBondContact O-OG 3.16Å; P115-S118 WeakPolarHBondContact CA-OG 3.3Å; P115-S118 PolarHBondContact O-OG 3.07Å; S118-L120 VanDerWaalsContact C-N 3.27Å; S118-L120 PolarHBondContact O-N 3.43Å; S118-A121 PolarHBondContact O-N 3.35Å; S118-E122 PolarHBondContact O-N 3.33Å; S118-E122 VanDerWaalsContact O-N 3.09Å |
| 119 | A | 57.3 | Low | 58.4 | Low | 55 Ų | 55 | 98.1 Ų | 98.1 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.7 | -30.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P115 S123 | P115-A119 WeakPolarHBondContact O-CB 3.49Å; P115-A119 PolarHBondContact O-N 3.5Å; A119-S123 PolarHBondContact O-N 3.24Å; A119-S123 PolarHBondContact O-OG 2.88Å |
| 120 | L | 53.2 | Low | 56.9 | Low | 104 Ų | 104 | 100.4 Ų | 100.4 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -78.4 | -31.8 | 174.1 | -72.4 | 169.6 | 0 | 0 | 0 | 112.9 | F116 V117 S118 S123 | F116-L120 HydrophobicContact CD1-CD1 4.12Å; F116-L120 HydrophobicContact CE1-CD1 3.97Å; F116-L120 PolarHBondContact O-N 2.93Å; V117-L120 PolarHBondContact O-N 3.42Å; S118-L120 VanDerWaalsContact C-N 3.27Å; S118-L120 PolarHBondContact O-N 3.43Å; L120-S123 WeakPolarHBondContact CA-OG 3.24Å; L120-S123 PolarHBondContact O-OG 3.35Å |
| 121 | A | 53.3 | Low | 55.8 | Low | 67 Ų | 67 | 97.5 Ų | 97.5 | 55% | 0.554 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.3 | -31.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V117 S118 | V117-A121 PolarHBondContact O-N 3.1Å; V117-A121 VanDerWaalsContact O-N 3.12Å; S118-A121 PolarHBondContact O-N 3.35Å |
| 122 | E | 49.4 | Very low | 54.3 | Low | 150 Ų | 150 | 101 Ų | 101 | 70% | 0.701 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -77.2 | -27.1 | 177.6 | -73.7 | 178.1 | 171.5 | 0 | 0 | 113.4 | S118 | S118-E122 PolarHBondContact O-N 3.33Å; S118-E122 VanDerWaalsContact O-N 3.09Å |
| 123 | S | 52.2 | Low | 53.6 | Low | 90 Ų | 90 | 98.1 Ų | 98.1 | 63% | 0.629 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -80 | -16.2 | -180 | 38.7 | 0 | 0 | 0 | 0 | 114.2 | A119 L120 | A119-S123 PolarHBondContact O-N 3.24Å; A119-S123 PolarHBondContact O-OG 2.88Å; L120-S123 WeakPolarHBondContact CA-OG 3.24Å; L120-S123 PolarHBondContact O-OG 3.35Å |
| 124 | A | 48.2 | Very low | 52.9 | Low | 92 Ų | 92 | 104.3 Ų | 104.3 | 76% | 0.76 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -11.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 125 | C | 42.5 | Very low | 52.2 | Low | 84 Ų | 84 | 105.8 Ų | 105.8 | 57% | 0.568 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | -9.2 | -170.1 | -144 | 0 | 0 | 0 | 0 | 116.4 | ||
| 126 | F | 42.4 | Very low | 51.5 | Low | 151 Ų | 151 | 108.1 Ų | 108.1 | 66% | 0.662 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -3.7 | -171.7 | -137.2 | -99 | 0 | 0 | 0 | 116.9 | K130 | F126-K130 HydrophobicContact CE1-CD 4.2Š|
| 127 | S | 50.3 | Low | 51 | Low | 110 Ų | 110 | 109.5 Ų | 109.5 | 77% | 0.769 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -9.9 | -179.2 | -65 | 0 | 0 | 0 | 0 | 115.8 | ||
| 128 | S | 52.1 | Low | 50.6 | Low | 84 Ų | 84 | 108.1 Ų | 108.1 | 59% | 0.587 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -35.7 | -176 | -154.1 | 0 | 0 | 0 | 0 | 114.8 | K130 A131 F132 | S128-K130 PolarHBondContact O-N 3.39Å; S128-A131 PolarHBondContact O-N 3.02Å; S128-F132 PolarHBondContact O-N 3.2Å |
| 129 | V | 51.2 | Low | 49.9 | Very low | 94 Ų | 94 | 112.2 Ų | 112.2 | 57% | 0.57 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74 | -32.6 | -172.4 | -169.4 | 0 | 0 | 0 | 0 | 113 | F132 L133 | V129-F132 PolarHBondContact O-N 3.33Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 PolarHBondContact O-N 3.43Å |
| 130 | K | 50.4 | Low | 49.2 | Very low | 148 Ų | 148 | 118.9 Ų | 118.9 | 64% | 0.643 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.8 | -33.9 | 174.6 | -107.8 | 174.2 | 179.1 | 170.1 | 0 | 112.9 | F126 S128 F132 W134 | F126-K130 HydrophobicContact CE1-CD 4.2Å; S128-K130 PolarHBondContact O-N 3.39Å; K130-F132 VanDerWaalsContact C-N 3.33Å; K130-W134 WeakPolarHBondContact O-CB 3.46Å; K130-W134 PolarHBondContact O-N 3.19Å; K130-W134 VanDerWaalsContact O-N 3.12Å |
| 131 | A | 53.1 | Low | 48.5 | Very low | 55 Ų | 55 | 118.2 Ų | 118.2 | 46% | 0.455 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -67.1 | -37.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S128 C135 | S128-A131 PolarHBondContact O-N 3.02Å; A131-C135 PolarHBondContact O-N 3.01Å; A131-C135 VanDerWaalsContact O-N 3.14Å |
| 132 | F | 45.3 | Very low | 47.8 | Very low | 142 Ų | 142 | 123.7 Ų | 123.7 | 62% | 0.623 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -70.7 | -40.7 | 178.1 | -142 | -93 | 0 | 0 | 0 | 112.8 | S128 V129 K130 C135 L136 | S128-F132 PolarHBondContact O-N 3.2Å; V129-F132 PolarHBondContact O-N 3.33Å; K130-F132 VanDerWaalsContact C-N 3.33Å; F132-C135 PolarHBondContact O-N 3.42Å; F132-L136 HydrophobicContact CD1-CD1 4.03Å; F132-L136 HydrophobicContact CE1-CD1 4.03Å; F132-L136 PolarHBondContact O-N 3.36Å |
| 133 | L | 55.1 | Low | 47 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 66% | 0.66 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73.5 | -26.7 | 178.9 | -153.6 | 71.3 | 0 | 0 | 0 | 112.8 | V129 | V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 PolarHBondContact O-N 3.43Å |
| 134 | W | 51.5 | Low | 46.1 | Very low | 204 Ų | 204 | 125.9 Ų | 125.9 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -72.7 | -35.7 | 170.5 | -172.1 | 57.9 | 0 | 0 | 0 | 112.3 | K130 | K130-W134 WeakPolarHBondContact O-CB 3.46Å; K130-W134 PolarHBondContact O-N 3.19Å; K130-W134 VanDerWaalsContact O-N 3.12Å |
| 135 | C | 47.9 | Very low | 45.3 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 59% | 0.588 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -66 | -37.3 | 170.6 | -81.1 | 0 | 0 | 0 | 0 | 112.7 | A131 F132 H137 A138 | A131-C135 PolarHBondContact O-N 3.01Å; A131-C135 VanDerWaalsContact O-N 3.14Å; F132-C135 PolarHBondContact O-N 3.42Å; C135-H137 PolarHBondContact O-N 2.9Å; C135-A138 CarbonylContact O-C 3.44Å; C135-A138 PolarHBondContact O-N 3.08Å; C135-A138 VanDerWaalsContact O-N 3.13Å |
| 136 | L | 48.9 | Very low | 44.9 | Very low | 129 Ų | 129 | 131 Ų | 131 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -69.4 | -19.2 | -176.8 | -125.9 | 111.4 | 0 | 0 | 0 | 114 | F132 | F132-L136 HydrophobicContact CD1-CD1 4.03Å; F132-L136 HydrophobicContact CE1-CD1 4.03Å; F132-L136 PolarHBondContact O-N 3.36Å |
| 137 | H | 45.9 | Very low | 44.8 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 83% | 0.833 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -6.9 | 175.8 | -146.1 | 160.8 | 0 | 0 | 0 | 112.9 | C135 | C135-H137 PolarHBondContact O-N 2.9Š|
| 138 | A | 53 | Low | 44 | Very low | 59 Ų | 59 | 133.7 Ų | 133.7 | 49% | 0.488 | 71% | 0.713 | S | S | . | * | S | Bend | trans | -134.7 | 63.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C135 | C135-A138 CarbonylContact O-C 3.44Å; C135-A138 PolarHBondContact O-N 3.08Å; C135-A138 VanDerWaalsContact O-N 3.13Å |
| 139 | N | 44.8 | Very low | 43.8 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | trans | 177.1 | 102.2 | 134.6 | -96.6 | -50.5 | 0 | 0 | 0 | 110.7 | S141 | N139-S141 PolarHBondContact O-N 3.44Š| ||
| 140 | H | 41.6 | Very low | 42.9 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 90% | 0.898 | 74% | 0.735 | S | S | * | * | trans | -77.6 | 91.7 | 157.5 | -170 | -87.9 | 0 | 0 | 0 | 107.8 | ||||
| 141 | S | 39.8 | Very low | 42.1 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | 178.6 | 115.2 | 152.9 | 23.6 | 0 | 0 | 0 | 0 | 112.9 | N139 | N139-S141 PolarHBondContact O-N 3.44Š| ||
| 142 | E | 38.5 | Very low | 41.2 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 43.5 | 118 | 143.3 | -56.7 | -176.3 | 177.8 | 0 | 0 | 120.8 | ||||
| 143 | M | 31.7 | Very low | 41 | Very low | 189 Ų | 189 | 147.9 Ų | 147.9 | 93% | 0.931 | 79% | 0.785 | S | S | * | * | -176.8 | 144.2 | 111.5 | -98.1 | 179.4 | -175.2 | 0 | 0 | 112.7 | |||||
| 144 | S | 35 | Very low | 40 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -95 | -176.4 | -162.8 | -25.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 145 | F | 30.4 | Very low | 39.2 | Very low | 211 Ų | 211 | 144.2 Ų | 144.2 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | 86.9 | 133.3 | 170.8 | -53 | -77.7 | 0 | 0 | 0 | 115.4 | ||||
| 146 | G | 35 | Very low | 38.6 | Very low | 71 Ų | 71 | 148.8 Ų | 148.8 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | cis | 170.3 | 172.6 | 3.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 147 | P | 40.3 | Very low | 38.1 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | trans | -108.9 | 145.2 | -156.3 | 30.8 | -17.8 | 0 | 0 | 0 | 118.6 | ||||
| 148 | F | 31.6 | Very low | 37.8 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | trans | 60 | 172.8 | 147.7 | -85.3 | -73.1 | 0 | 0 | 0 | 120.9 | ||||
| 149 | P | 48.7 | Very low | 36.9 | Very low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | cis | -137.6 | 178.7 | -24.9 | 32.8 | -12.2 | 0 | 0 | 0 | 115.1 | ||||
| 150 | G | 32.9 | Very low | 36.4 | Very low | 80 Ų | 80 | 149.6 Ų | 149.6 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | trans | 133.3 | 95.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 151 | L | 32.3 | Very low | 36 | Very low | 187 Ų | 187 | 145.1 Ų | 145.1 | 98% | 0.979 | 83% | 0.83 | S | S | * | * | trans | -102.1 | 110.2 | 167.6 | -108.6 | 149.6 | 0 | 0 | 0 | 109.5 | ||||
| 152 | R | 34.3 | Very low | 35.9 | Very low | 241 Ų | 241 | 144.9 Ų | 144.9 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | trans | -109.5 | 134.3 | 168.4 | -163.9 | 179.5 | -167.7 | -156.8 | 3.4 | 108.7 | ||||
| 153 | Q | 40.9 | Very low | 35.7 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | trans | -49.5 | 145.8 | -179.2 | -68.7 | 160.1 | -24.4 | 0 | 0 | 114.3 | ||||
| 154 | S | 34.2 | Very low | 35.8 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -131.3 | 120.1 | 153.9 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 155 | V | 35.9 | Very low | 36 | Very low | 136 Ų | 136 | 147 Ų | 147 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 139.8 | 167.5 | 173.3 | 0 | 0 | 0 | 0 | 111 | ||
| 156 | Q | 35.3 | Very low | 36.5 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 137 | 168.3 | -67.4 | -173.2 | -31.7 | 0 | 0 | 110.8 | ||
| 157 | P | 37.8 | Very low | 36.9 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 137.7 | 158 | 25.4 | -13.3 | 0 | 0 | 0 | 111.6 | ||
| 158 | S | 38.9 | Very low | 36.7 | Very low | 128 Ų | 128 | 149 Ų | 149 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 139.6 | 169.8 | 45.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 159 | G | 34 | Very low | 37.2 | Very low | 76 Ų | 76 | 146.2 Ų | 146.2 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 153.6 | 105.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 160 | H | 36.2 | Very low | 37.2 | Very low | 201 Ų | 201 | 147.3 Ų | 147.3 | 93% | 0.931 | 79% | 0.793 | S | S | * | * | trans | -64.8 | 133.6 | 179 | -78.3 | -89.5 | 0 | 0 | 0 | 113.7 | ||||
| 161 | S | 32.8 | Very low | 37.7 | Very low | 101 Ų | 101 | 147.6 Ų | 147.6 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -147.1 | 121.3 | 147.7 | 173.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 162 | A | 36.6 | Very low | 38.3 | Very low | 86 Ų | 86 | 142.2 Ų | 142.2 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -56.9 | 131.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 163 | Y | 34.5 | Very low | 38.9 | Very low | 219 Ų | 219 | 132 Ų | 132 | 86% | 0.859 | 74% | 0.736 | S | S | * | * | trans | -156.1 | 129.3 | 142.8 | -80.6 | -67.1 | 0 | 0 | 0 | 110.6 | ||||
| 164 | S | 33.8 | Very low | 39.3 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 47% | 0.469 | 73% | 0.725 | S | S | . | * | trans | 66.4 | 108.8 | 152.5 | -163 | 0 | 0 | 0 | 0 | 121.5 | D166 | S164-D166 PolarHBondContact O-N 3.32Å; S164-D166 VanDerWaalsContact OG-CB 3.24Å; S164-D166 WeakPolarHBondContact OG-CB 3.45Å; S164-D166 PolarHBondContact OG-N 3.1Å; S164-D166 PolarHBondContact OG-OD2 3.2Å | ||
| 165 | W | 38.8 | Very low | 39.7 | Very low | 225 Ų | 225 | 127.1 Ų | 127.1 | 85% | 0.852 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -3.4 | 160.2 | -98.3 | 87.7 | 0 | 0 | 0 | 113.5 | ||
| 166 | D | 41.3 | Very low | 40.2 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 61% | 0.61 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -9.9 | -177 | -57.5 | -42.9 | 0 | 0 | 0 | 113.7 | S164 | S164-D166 PolarHBondContact O-N 3.32Å; S164-D166 VanDerWaalsContact OG-CB 3.24Å; S164-D166 WeakPolarHBondContact OG-CB 3.45Å; S164-D166 PolarHBondContact OG-N 3.1Å; S164-D166 PolarHBondContact OG-OD2 3.2Å |
| 167 | E | 43.8 | Very low | 40.8 | Very low | 167 Ų | 167 | 123.9 Ų | 123.9 | 78% | 0.78 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -90.5 | -10.8 | 176.5 | -110.9 | 168.6 | 178.9 | 0 | 0 | 113.9 | ||
| 168 | F | 36.4 | Very low | 41.1 | Very low | 165 Ų | 165 | 126.3 Ų | 126.3 | 72% | 0.724 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -89.8 | -18.3 | 174.3 | -147.4 | -95.6 | 0 | 0 | 0 | 112.9 | ||
| 169 | Q | 42 | Very low | 41.3 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 65% | 0.654 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -80.4 | -15.6 | 177.1 | -80.6 | -172.2 | -29.8 | 0 | 0 | 114.1 | ||
| 170 | N | 48.6 | Very low | 41.8 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 77% | 0.765 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -91.2 | -5.4 | 178.8 | -95.3 | -17.8 | 0 | 0 | 0 | 115.2 | ||
| 171 | A | 43.3 | Very low | 42.4 | Very low | 86 Ų | 86 | 122.1 Ų | 122.1 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -99.1 | -8.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 172 | S | 44.9 | Very low | 43.2 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 52% | 0.517 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -111.9 | -3.8 | 174.9 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 173 | G | 47 | Very low | 43.9 | Very low | 28 Ų | 28 | 120.1 Ų | 120.1 | 29% | 0.289 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -82.9 | -8.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | N177 | G173-N177 PolarHBondContact O-ND2 3.38Å |
| 174 | T | 49.6 | Very low | 44.7 | Very low | 108 Ų | 108 | 115.5 Ų | 115.5 | 66% | 0.663 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -91.7 | -20.3 | 178.7 | 46.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 175 | C | 42.1 | Very low | 45.3 | Very low | 97 Ų | 97 | 119.2 Ų | 119.2 | 66% | 0.655 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -90 | -29.9 | 178.4 | -66.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 176 | L | 46.6 | Very low | 45.9 | Very low | 136 Ų | 136 | 113 Ų | 113 | 71% | 0.712 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -78.7 | -30 | -178.2 | -126.5 | 85.2 | 0 | 0 | 0 | 113.5 | C180 | L176-C180 PolarHBondContact O-N 3.06Å |
| 177 | N | 46.9 | Very low | 46.5 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -77.2 | -20.4 | -179.1 | -78.3 | -44.3 | 0 | 0 | 0 | 113.9 | G173 S181 | G173-N177 PolarHBondContact O-ND2 3.38Å; N177-S181 PolarHBondContact O-OG 3.28Å |
| 178 | F | 45.3 | Very low | 46.8 | Very low | 177 Ų | 177 | 113 Ų | 113 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.4 | -34.9 | 173.1 | -120.2 | -91 | 0 | 0 | 0 | 112.1 | ||
| 179 | F | 42.4 | Very low | 47.4 | Very low | 156 Ų | 156 | 111.7 Ų | 111.7 | 68% | 0.684 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.5 | -33 | -179.2 | -125.9 | -91.6 | 0 | 0 | 0 | 112.9 | ||
| 180 | C | 45.2 | Very low | 48 | Very low | 79 Ų | 79 | 108.4 Ų | 108.4 | 53% | 0.534 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -75.7 | -30.6 | -179.9 | -146.5 | 0 | 0 | 0 | 0 | 113.2 | L176 | L176-C180 PolarHBondContact O-N 3.06Å |
| 181 | S | 48.8 | Very low | 48 | Very low | 82 Ų | 82 | 114.3 Ų | 114.3 | 57% | 0.573 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.8 | -31.2 | 178.4 | -63.4 | 0 | 0 | 0 | 0 | 113.3 | N177 F185 | N177-S181 PolarHBondContact O-OG 3.28Å; S181-F185 PolarHBondContact O-N 3.01Å |
| 182 | A | 49.1 | Very low | 48.2 | Very low | 58 Ų | 58 | 115.7 Ų | 115.7 | 48% | 0.479 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -73.7 | -31.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S186 | A182-S186 PolarHBondContact O-N 3.21Å; A182-S186 PolarHBondContact O-OG 3.5Å; A182-S186 VanDerWaalsContact O-OG 3.12Å |
| 183 | V | 50.7 | Low | 48.4 | Very low | 86 Ų | 86 | 117.9 Ų | 117.9 | 52% | 0.521 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -75.8 | -35.1 | 178.9 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 184 | L | 52.2 | Low | 48.4 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -74.7 | -25.7 | 176.9 | -88.3 | 156.2 | 0 | 0 | 0 | 113.9 | ||
| 185 | F | 46.5 | Very low | 48.4 | Very low | 146 Ų | 146 | 123.8 Ų | 123.8 | 64% | 0.64 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -77.3 | -29.1 | 175.5 | -160.7 | -100.8 | 0 | 0 | 0 | 112.9 | S181 I187 L189 | S181-F185 PolarHBondContact O-N 3.01Å; F185-I187 PolarHBondContact O-N 3.1Å; F185-L189 HydrophobicContact CD1-CD1 4.26Å; F185-L189 HydrophobicContact CE1-CD1 3.64Å; F185-L189 HydrophobicContact CZ-CD1 4.06Å |
| 186 | S | 50.3 | Low | 48.8 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -79 | -16.1 | -177.8 | -59.1 | 0 | 0 | 0 | 0 | 114.3 | A182 | A182-S186 PolarHBondContact O-N 3.21Å; A182-S186 PolarHBondContact O-OG 3.5Å; A182-S186 VanDerWaalsContact O-OG 3.12Å |
| 187 | I | 54.7 | Low | 48.9 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 68% | 0.677 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -17.9 | 179.1 | -63.7 | 169.9 | 0 | 0 | 0 | 111.8 | F185 | F185-I187 PolarHBondContact O-N 3.1Š|
| 188 | N | 49.4 | Very low | 49.1 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -103.5 | 7.1 | -172.9 | -116 | -40 | 0 | 0 | 0 | 115.4 | ||
| 189 | L | 50.8 | Low | 49.3 | Very low | 138 Ų | 138 | 121.5 Ų | 121.5 | 72% | 0.723 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -117.5 | 19.1 | 175.5 | -84 | 162.1 | 0 | 0 | 0 | 113.1 | F185 | F185-L189 HydrophobicContact CD1-CD1 4.26Å; F185-L189 HydrophobicContact CE1-CD1 3.64Å; F185-L189 HydrophobicContact CZ-CD1 4.06Å |
| 190 | G | 53.2 | Low | 49.9 | Very low | 72 Ų | 72 | 118.6 Ų | 118.6 | 74% | 0.742 | 69% | 0.685 | S | S | * | * | trans | -118.5 | 38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 191 | Q | 48.3 | Very low | 50.4 | Low | 266 Ų | 266 | 122.2 Ų | 122.2 | 100% | 1.243 | 70% | 0.699 | S | S | * | * | trans | -103.8 | 0 | 154.1 | -78 | -150.5 | -9.5 | 0 | 0 | 109.4 |
Retrieved 191 of 191 residues in 71.9 ms
(Link to these results)