| 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 | 44.1 | Very low | 59.7 | Low | 228 Ų | 228 | 79.5 Ų | 79.5 | 100% | 1.123 | 42% | 0.419 | S | S | * | . | 0 | -30.1 | 0 | -99.6 | -176 | -78.7 | 0 | 0 | 114.6 | |||||
| 2 | M | 39.2 | Very low | 61.9 | Low | 170 Ų | 170 | 74.1 Ų | 74.1 | 84% | 0.837 | 39% | 0.393 | S | S | * | . | trans | -74.3 | -32.7 | -177.9 | -145.7 | 91.2 | 83.1 | 0 | 0 | 114.7 | C4 W5 | M2-C4 PolarHBondContact O-N 3.39Å; M2-W5 PolarHBondContact O-N 3.43Å | ||
| 3 | G | 44.8 | Very low | 63.8 | Low | 39 Ų | 39 | 72.5 Ų | 72.5 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.8 | -34.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | W5 | G3-W5 VanDerWaalsContact C-N 3.27Å; G3-W5 PolarHBondContact O-N 3.22Å |
| 4 | C | 50.7 | Low | 65.7 | Low | 13 Ų | 13 | 75.1 Ų | 75.1 | 9% | 0.088 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -76.3 | -12.2 | -178 | -58.6 | 0 | 0 | 0 | 0 | 114 | M2 S552 S553 | M2-C4 PolarHBondContact O-N 3.39Å; C4-S552 PolarHBondContact SG-O 2.97Å; C4-S553 PolarHBondContact SG-O 3.28Å |
| 5 | W | 55.4 | Low | 67.4 | Low | 134 Ų | 134 | 73.3 Ų | 73.3 | 51% | 0.508 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.6 | -38.5 | 177.5 | -137.3 | 76.7 | 0 | 0 | 0 | 111.5 | M2 G3 L7 E9 I13 | M2-W5 PolarHBondContact O-N 3.43Å; G3-W5 VanDerWaalsContact C-N 3.27Å; G3-W5 PolarHBondContact O-N 3.22Å; W5-L7 VanDerWaalsContact C-N 3.31Å; W5-L7 PolarHBondContact O-N 3.31Å; W5-E9 PolarHBondContact O-N 2.97Å; W5-I13 HydrophobicContact CE3-CD1 3.59Å; W5-I13 HydrophobicContact CH2-CD1 4.04Å; W5-I13 HydrophobicContact CZ3-CD1 3.16Å; W5-I13 HydrophobicContact CZ3-CG1 4.13Å |
| 6 | V | 59.3 | Low | 69 | Low | 105 Ų | 105 | 71.6 Ų | 71.6 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.5 | -37.2 | 179.4 | -180 | 0 | 0 | 0 | 0 | 111.5 | N8 G10 | V6-N8 PolarHBondContact O-N 2.76Å; V6-G10 WeakPolarHBondContact O-CA 3.39Å; V6-G10 PolarHBondContact O-N 3.47Å |
| 7 | L | 60.8 | Low | 70.5 | Confident | 66 Ų | 66 | 73.7 Ų | 73.7 | 35% | 0.346 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65 | -32.6 | -174.8 | -74.3 | 166.8 | 0 | 0 | 0 | 114.7 | W5 R93 | W5-L7 VanDerWaalsContact C-N 3.31Å; W5-L7 PolarHBondContact O-N 3.31Å; L7-R93 PolarHBondContact O-NH2 2.9Å |
| 8 | N | 64.7 | Low | 72 | Confident | 23 Ų | 23 | 72.8 Ų | 72.8 | 12% | 0.123 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -109.3 | -27.7 | -174.2 | -75.9 | -29.7 | 0 | 0 | 0 | 114.2 | V6 R93 F561 | V6-N8 PolarHBondContact O-N 2.76Å; N8-R93 PolarHBondContact OD1-NH1 3.43Å; N8-F561 PolarHBondContact ND2-O 3.15Å |
| 9 | E | 74.8 | Confident | 73.3 | Confident | 47 Ų | 47 | 70 Ų | 70 | 22% | 0.22 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -119.9 | -7.4 | -176.2 | -63 | -64.6 | 152.1 | 0 | 0 | 113.6 | W5 L11 S12 I13 K97 | W5-E9 PolarHBondContact O-N 2.97Å; E9-L11 PolarHBondContact O-N 3.2Å; E9-S12 WeakPolarHBondContact O-CB 3.27Å; E9-S12 PolarHBondContact O-N 2.97Å; E9-I13 HydrophobicContact CB-CD1 3.87Å; E9-I13 HydrophobicContact CB-CG1 4.46Å; E9-I13 WeakPolarHBondContact O-CD1 3.44Å; E9-I13 WeakPolarHBondContact O-CG1 3.49Å; E9-I13 PolarHBondContact O-N 3.48Å; E9-K97 IonicContact OE1-NZ 3.17Å; E9-K97 PolarHBondContact OE1-NZ 2.71Å; E9-K97 VanDerWaalsContact OE1-NZ 3.14Å; E9-K97 IonicContact OE2-NZ 3.15Å; E9-K97 PolarHBondContact OE2-NZ 3.03Å |
| 10 | G | 79.6 | Confident | 74.5 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 13% | 0.134 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -53.2 | -51.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114 | V6 S12 I13 I14 | V6-G10 WeakPolarHBondContact O-CA 3.39Å; V6-G10 PolarHBondContact O-N 3.47Å; G10-S12 VanDerWaalsContact C-N 3.34Å; G10-S12 PolarHBondContact O-N 3.41Å; G10-I13 PolarHBondContact O-N 3.35Å; G10-I14 VanDerWaalsContact O-CG1 3.3Å; G10-I14 WeakPolarHBondContact O-CG1 3.29Å; G10-I14 PolarHBondContact O-N 3.47Å |
| 11 | L | 83.4 | Confident | 75.6 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 19% | 0.188 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 178.1 | -177 | 66 | 0 | 0 | 0 | 112.3 | E9 I13 I14 L15 P90 W91 Q94 | E9-L11 PolarHBondContact O-N 3.2Å; L11-I13 VanDerWaalsContact C-N 3.31Å; L11-I13 PolarHBondContact O-N 3.25Å; L11-I14 PolarHBondContact O-N 2.88Å; L11-L15 HydrophobicContact CD1-CD1 4.35Å; L11-L15 HydrophobicContact CD1-CG 4.49Å; L11-L15 HydrophobicContact CG-CD1 4.08Å; L11-L15 WeakPolarHBondContact O-CG 3.19Å; L11-L15 PolarHBondContact O-N 3.48Å; L11-P90 HydrophobicContact CD2-CB 4.26Å; L11-W91 HydrophobicContact CD1-CD2 4.46Å; L11-W91 HydrophobicContact CD1-CH2 4Å; L11-W91 HydrophobicContact CD1-CZ2 3.88Å; L11-W91 HydrophobicContact CD1-CZ3 4.33Å; L11-W91 HydrophobicContact CD2-CB 4.44Å; L11-W91 HydrophobicContact CD2-CD2 3.64Å; L11-W91 HydrophobicContact CD2-CE3 3.82Å; L11-W91 HydrophobicContact CD2-CG 3.93Å; L11-W91 HydrophobicContact CD2-CZ3 4.34Å; L11-Q94 HydrophobicContact CD2-CB 3.82Å; L11-Q94 HydrophobicContact CD2-CG 4.23Å; L11-Q94 HydrophobicContact CG-CB 4.48Å; L11-Q94 HydrophobicContact CG-CG 4.47Å |
| 12 | S | 85.4 | Confident | 78.2 | Confident | 15 Ų | 15 | 61 Ų | 61 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 178.1 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | E9 G10 V16 Q94 K97 | E9-S12 WeakPolarHBondContact O-CB 3.27Å; E9-S12 PolarHBondContact O-N 2.97Å; G10-S12 VanDerWaalsContact C-N 3.34Å; G10-S12 PolarHBondContact O-N 3.41Å; S12-V16 VanDerWaalsContact O-CG2 3.31Å; S12-V16 WeakPolarHBondContact O-CG2 3.2Å; S12-V16 PolarHBondContact O-N 2.97Å; S12-Q94 VanDerWaalsContact CA-OE1 3.24Å; S12-Q94 VanDerWaalsContact CB-OE1 3.24Å; S12-Q94 PolarHBondContact OG-OE1 2.8Å; S12-K97 WeakPolarHBondContact OG-CD 3.2Å; S12-K97 PolarHBondContact OG-NZ 3.04Å |
| 13 | I | 87.1 | Confident | 81 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 27% | 0.272 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.5 | -46.2 | 178.8 | -63.8 | 151.2 | 0 | 0 | 0 | 110.5 | W5 E9 G10 L11 L15 V16 L17 | W5-I13 HydrophobicContact CE3-CD1 3.59Å; W5-I13 HydrophobicContact CH2-CD1 4.04Å; W5-I13 HydrophobicContact CZ3-CD1 3.16Å; W5-I13 HydrophobicContact CZ3-CG1 4.13Å; E9-I13 HydrophobicContact CB-CD1 3.87Å; E9-I13 HydrophobicContact CB-CG1 4.46Å; E9-I13 WeakPolarHBondContact O-CD1 3.44Å; E9-I13 WeakPolarHBondContact O-CG1 3.49Å; E9-I13 PolarHBondContact O-N 3.48Å; G10-I13 PolarHBondContact O-N 3.35Å; L11-I13 VanDerWaalsContact C-N 3.31Å; L11-I13 PolarHBondContact O-N 3.25Å; I13-L15 VanDerWaalsContact C-N 3.26Å; I13-L15 PolarHBondContact O-N 2.98Å; I13-V16 PolarHBondContact O-N 3.18Å; I13-V16 VanDerWaalsContact O-N 3.14Å; I13-L17 HydrophobicContact CG2-CD1 3.67Å; I13-L17 HydrophobicContact CG2-CG 4.01Å; I13-L17 WeakPolarHBondContact O-CB 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.15Å; I13-L17 PolarHBondContact O-N 3.39Å |
| 14 | I | 90.7 | Very high | 83.5 | Confident | 109 Ų | 109 | 56.8 Ų | 56.8 | 56% | 0.559 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56.5 | -43.4 | 178 | -69.4 | 165.5 | 0 | 0 | 0 | 110.6 | G10 L11 L17 S18 | G10-I14 VanDerWaalsContact O-CG1 3.3Å; G10-I14 WeakPolarHBondContact O-CG1 3.29Å; G10-I14 PolarHBondContact O-N 3.47Å; L11-I14 PolarHBondContact O-N 2.88Å; I14-L17 PolarHBondContact O-N 3.35Å; I14-S18 WeakPolarHBondContact O-CB 3.43Å; I14-S18 PolarHBondContact O-N 2.63Å; I14-S18 PolarHBondContact O-OG 3.28Å |
| 15 | L | 91.1 | Very high | 85.8 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 178.1 | -72.4 | 168.5 | 0 | 0 | 0 | 113.3 | L11 I13 S18 W19 Q94 | L11-L15 HydrophobicContact CD1-CD1 4.35Å; L11-L15 HydrophobicContact CD1-CG 4.49Å; L11-L15 HydrophobicContact CG-CD1 4.08Å; L11-L15 WeakPolarHBondContact O-CG 3.19Å; L11-L15 PolarHBondContact O-N 3.48Å; I13-L15 VanDerWaalsContact C-N 3.26Å; I13-L15 PolarHBondContact O-N 2.98Å; L15-S18 WeakPolarHBondContact CA-OG 3.43Å; L15-S18 PolarHBondContact O-OG 3.31Å; L15-W19 VanDerWaalsContact O-CB 3.29Å; L15-W19 WeakPolarHBondContact O-CB 3.19Å; L15-W19 PolarHBondContact O-N 3.28Å; L15-Q94 HydrophobicContact CD1-CG 3.41Å; L15-Q94 VanDerWaalsContact CD1-CG 3.41Å |
| 16 | V | 93.4 | Very high | 87.9 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 28% | 0.279 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.6 | -42.9 | 175.6 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | S12 I13 W19 L20 L104 | S12-V16 VanDerWaalsContact O-CG2 3.31Å; S12-V16 WeakPolarHBondContact O-CG2 3.2Å; S12-V16 PolarHBondContact O-N 2.97Å; I13-V16 PolarHBondContact O-N 3.18Å; I13-V16 VanDerWaalsContact O-N 3.14Å; V16-W19 PolarHBondContact O-N 3.45Å; V16-L20 HydrophobicContact CG1-CD1 4.06Å; V16-L20 HydrophobicContact CG1-CG 4.5Å; V16-L20 WeakPolarHBondContact O-CB 3.29Å; V16-L20 WeakPolarHBondContact O-CG 3.29Å; V16-L20 PolarHBondContact O-N 3.38Å; V16-L104 HydrophobicContact CB-CD2 4.49Å; V16-L104 HydrophobicContact CG1-CD2 3.96Å; V16-L104 HydrophobicContact CG2-CD2 3.85Å |
| 17 | L | 94.7 | Very high | 89.7 | Confident | 107 Ų | 107 | 54.2 Ų | 54.2 | 56% | 0.56 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.1 | -38.5 | 176.7 | -70.6 | 178.4 | 0 | 0 | 0 | 111.7 | I13 I14 L20 G21 | I13-L17 HydrophobicContact CG2-CD1 3.67Å; I13-L17 HydrophobicContact CG2-CG 4.01Å; I13-L17 WeakPolarHBondContact O-CB 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.15Å; I13-L17 PolarHBondContact O-N 3.39Å; I14-L17 PolarHBondContact O-N 3.35Å; L17-L20 PolarHBondContact O-N 3.46Å; L17-G21 PolarHBondContact O-N 3.28Å |
| 18 | S | 95.9 | Very high | 91.5 | Very high | 58 Ų | 58 | 54.6 Ų | 54.6 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.2 | -43 | 175 | 72.9 | 0 | 0 | 0 | 0 | 111.3 | I14 L15 L20 G21 V22 | I14-S18 WeakPolarHBondContact O-CB 3.43Å; I14-S18 PolarHBondContact O-N 2.63Å; I14-S18 PolarHBondContact O-OG 3.28Å; L15-S18 WeakPolarHBondContact CA-OG 3.43Å; L15-S18 PolarHBondContact O-OG 3.31Å; S18-L20 PolarHBondContact O-N 2.85Å; S18-G21 PolarHBondContact O-N 3.49Å; S18-V22 VanDerWaalsContact O-CG2 3.31Å; S18-V22 WeakPolarHBondContact O-CG2 3.39Å; S18-V22 PolarHBondContact O-N 2.99Å |
| 19 | W | 97.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 57.1 Ų | 57.1 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 174.4 | 168.4 | 77.6 | 0 | 0 | 0 | 112.3 | L15 V16 N23 F63 N64 F101 L104 | L15-W19 VanDerWaalsContact O-CB 3.29Å; L15-W19 WeakPolarHBondContact O-CB 3.19Å; L15-W19 PolarHBondContact O-N 3.28Å; V16-W19 PolarHBondContact O-N 3.45Å; W19-N23 VanDerWaalsContact CE2-ND2 3.34Å; W19-N23 PolarHBondContact NE1-ND2 3.29Å; W19-N23 VanDerWaalsContact NE1-ND2 3.13Å; W19-N23 PolarHBondContact O-N 2.79Å; W19-N23 PolarHBondContact O-ND2 3.45Å; W19-F63 AromaticContact CD1-CE1 3.78Å; W19-N64 WeakPolarHBondContact CZ2-OD1 3.45Å; W19-N64 PolarHBondContact NE1-OD1 3.24Å; W19-F101 HydrophobicContact CB-CE2 4.22Å; W19-F101 HydrophobicContact CB-CZ 4.42Å; W19-F101 HydrophobicContact CD2-CE2 4.42Å; W19-F101 HydrophobicContact CG-CE2 4.06Å; W19-F101 HydrophobicContact CG-CZ 4.18Å; W19-L104 HydrophobicContact CE3-CD2 3.86Å; W19-L104 HydrophobicContact CE3-CG 4.24Å; W19-L104 HydrophobicContact CH2-CD1 4.37Å; W19-L104 HydrophobicContact CH2-CD2 4.42Å; W19-L104 HydrophobicContact CH2-CG 3.9Å; W19-L104 HydrophobicContact CZ3-CD1 4.09Å; W19-L104 HydrophobicContact CZ3-CD2 3.7Å; W19-L104 HydrophobicContact CZ3-CG 3.64Å |
| 20 | L | 97.3 | Very high | 94.2 | Very high | 84 Ų | 84 | 55.6 Ų | 55.6 | 44% | 0.44 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 174.3 | -76.9 | 172 | 0 | 0 | 0 | 111.5 | V16 L17 S18 V22 N23 L24 | V16-L20 HydrophobicContact CG1-CD1 4.06Å; V16-L20 HydrophobicContact CG1-CG 4.5Å; V16-L20 WeakPolarHBondContact O-CB 3.29Å; V16-L20 WeakPolarHBondContact O-CG 3.29Å; V16-L20 PolarHBondContact O-N 3.38Å; L17-L20 PolarHBondContact O-N 3.46Å; S18-L20 PolarHBondContact O-N 2.85Å; L20-V22 PolarHBondContact O-N 2.85Å; L20-N23 PolarHBondContact O-N 2.93Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 PolarHBondContact O-N 3.39Å |
| 21 | G | 97.9 | Very high | 95.1 | Very high | 37 Ų | 37 | 56.8 Ų | 56.8 | 38% | 0.381 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L17 S18 L24 Y25 | L17-G21 PolarHBondContact O-N 3.28Å; S18-G21 PolarHBondContact O-N 3.49Å; G21-L24 PolarHBondContact O-N 3.4Å; G21-Y25 VanDerWaalsContact O-CB 3.24Å; G21-Y25 WeakPolarHBondContact O-CB 3.22Å; G21-Y25 PolarHBondContact O-N 3.22Å |
| 22 | V | 98.1 | Very high | 95.8 | Very high | 57 Ų | 57 | 61.4 Ų | 61.4 | 35% | 0.345 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | S18 L20 L24 Y25 L26 F63 | S18-V22 VanDerWaalsContact O-CG2 3.31Å; S18-V22 WeakPolarHBondContact O-CG2 3.39Å; S18-V22 PolarHBondContact O-N 2.99Å; L20-V22 PolarHBondContact O-N 2.85Å; V22-L24 VanDerWaalsContact C-N 3.35Å; V22-L24 PolarHBondContact O-N 2.99Å; V22-Y25 PolarHBondContact O-N 3.37Å; V22-L26 HydrophobicContact CG1-CD1 3.77Å; V22-L26 HydrophobicContact CG1-CG 4.12Å; V22-L26 WeakPolarHBondContact O-CB 3.43Å; V22-L26 WeakPolarHBondContact O-CG 3.38Å; V22-L26 PolarHBondContact O-N 2.98Å; V22-F63 HydrophobicContact CB-CE1 4.25Å; V22-F63 HydrophobicContact CB-CZ 4.13Å; V22-F63 HydrophobicContact CG1-CD1 4.32Å; V22-F63 HydrophobicContact CG1-CD2 4.45Å; V22-F63 HydrophobicContact CG1-CE1 3.76Å; V22-F63 HydrophobicContact CG1-CE2 3.92Å; V22-F63 HydrophobicContact CG1-CZ 3.53Å |
| 23 | N | 98.4 | Very high | 96.3 | Very high | 15 Ų | 15 | 65 Ų | 65 | 8% | 0.08 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 175.7 | -87.5 | -82.2 | 0 | 0 | 0 | 112.1 | W19 L20 F27 C60 F63 N64 | W19-N23 VanDerWaalsContact CE2-ND2 3.34Å; W19-N23 PolarHBondContact NE1-ND2 3.29Å; W19-N23 VanDerWaalsContact NE1-ND2 3.13Å; W19-N23 PolarHBondContact O-N 2.79Å; W19-N23 PolarHBondContact O-ND2 3.45Å; L20-N23 PolarHBondContact O-N 2.93Å; N23-F27 VanDerWaalsContact O-CB 3.3Å; N23-F27 WeakPolarHBondContact O-CB 3.17Å; N23-F27 PolarHBondContact O-N 3.3Å; N23-C60 PolarHBondContact O-SG 3.47Å; N23-C60 VanDerWaalsContact O-SG 3.36Å; N23-F63 WeakPolarHBondContact ND2-CE1 3.46Å; N23-N64 PolarHBondContact OD1-ND2 3.15Å |
| 24 | L | 98.2 | Very high | 96.8 | Very high | 107 Ų | 107 | 62.6 Ų | 62.6 | 56% | 0.56 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65 | -44.7 | 179.8 | -176.1 | 63.7 | 0 | 0 | 0 | 111.3 | L20 G21 V22 F27 I28 | L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 PolarHBondContact O-N 3.39Å; G21-L24 PolarHBondContact O-N 3.4Å; V22-L24 VanDerWaalsContact C-N 3.35Å; V22-L24 PolarHBondContact O-N 2.99Å; L24-F27 PolarHBondContact O-N 2.82Å; L24-I28 HydrophobicContact CD1-CD1 3.71Å; L24-I28 HydrophobicContact CD1-CG1 4.11Å; L24-I28 HydrophobicContact CD2-CD1 4.42Å; L24-I28 HydrophobicContact CG-CD1 3.73Å; L24-I28 HydrophobicContact CG-CG1 4.4Å; L24-I28 WeakPolarHBondContact O-CB 3.34Å; L24-I28 VanDerWaalsContact O-CG1 3.29Å; L24-I28 WeakPolarHBondContact O-CG1 3.16Å; L24-I28 PolarHBondContact O-N 2.83Å |
| 25 | Y | 98.4 | Very high | 97.1 | Very high | 137 Ų | 137 | 60.3 Ų | 60.3 | 54% | 0.537 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.7 | -53.9 | 175.5 | 168.8 | -107.7 | 0 | 0 | 0 | 111.1 | G21 V22 F27 I28 D29 | G21-Y25 VanDerWaalsContact O-CB 3.24Å; G21-Y25 WeakPolarHBondContact O-CB 3.22Å; G21-Y25 PolarHBondContact O-N 3.22Å; V22-Y25 PolarHBondContact O-N 3.37Å; Y25-F27 PolarHBondContact O-N 3.23Å; Y25-I28 PolarHBondContact O-N 2.82Å; Y25-D29 HydrophobicContact CD2-CB 4.37Å; Y25-D29 HydrophobicContact CE2-CB 3.97Å; Y25-D29 WeakPolarHBondContact O-CB 3.44Å; Y25-D29 PolarHBondContact O-N 2.87Å; Y25-D29 PolarHBondContact OH-OD1 2.78Å |
| 26 | L | 98.3 | Very high | 97.3 | Very high | 27 Ų | 27 | 64.5 Ų | 64.5 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.9 | -39.7 | 179.1 | -69.7 | 175.5 | 0 | 0 | 0 | 111.8 | V22 T30 L59 F63 | V22-L26 HydrophobicContact CG1-CD1 3.77Å; V22-L26 HydrophobicContact CG1-CG 4.12Å; V22-L26 WeakPolarHBondContact O-CB 3.43Å; V22-L26 WeakPolarHBondContact O-CG 3.38Å; V22-L26 PolarHBondContact O-N 2.98Å; L26-T30 WeakPolarHBondContact O-CB 3.27Å; L26-T30 PolarHBondContact O-N 2.9Å; L26-T30 VanDerWaalsContact O-N 3.12Å; L26-T30 PolarHBondContact O-OG1 3.37Å; L26-L59 HydrophobicContact CB-CD2 4.22Å; L26-L59 HydrophobicContact CD2-CD2 3.99Å; L26-F63 HydrophobicContact CD1-CB 3.9Å; L26-F63 HydrophobicContact CD1-CD1 4.25Å; L26-F63 HydrophobicContact CD1-CD2 4.31Å; L26-F63 HydrophobicContact CD1-CG 3.9Å |
| 27 | F | 98.6 | Very high | 97.3 | Very high | 33 Ų | 33 | 65.7 Ų | 65.7 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.5 | -55.5 | 177 | -168.7 | -82.1 | 0 | 0 | 0 | 111.1 | N23 L24 Y25 F31 W53 A56 | N23-F27 VanDerWaalsContact O-CB 3.3Å; N23-F27 WeakPolarHBondContact O-CB 3.17Å; N23-F27 PolarHBondContact O-N 3.3Å; L24-F27 PolarHBondContact O-N 2.82Å; Y25-F27 PolarHBondContact O-N 3.23Å; F27-F31 HydrophobicContact CE1-CB 4.5Å; F27-F31 HydrophobicContact CE1-CD2 4.23Å; F27-F31 WeakPolarHBondContact O-CB 3.1Å; F27-F31 PolarHBondContact O-N 2.84Å; F27-W53 HydrophobicContact CE1-CE3 4.26Å; F27-W53 AromaticContact CE1-CZ3 3.97Å; F27-W53 HydrophobicContact CE1-CZ3 3.97Å; F27-W53 AromaticContact CZ-CE3 3.54Å; F27-W53 HydrophobicContact CZ-CE3 3.54Å; F27-W53 HydrophobicContact CZ-CH2 4.49Å; F27-W53 AromaticContact CZ-CZ3 3.53Å; F27-W53 HydrophobicContact CZ-CZ3 3.53Å; F27-A56 HydrophobicContact CD1-CB 4.14Å; F27-A56 HydrophobicContact CD2-CB 3.74Å; F27-A56 HydrophobicContact CE1-CB 4.12Å; F27-A56 HydrophobicContact CE2-CB 3.73Å; F27-A56 HydrophobicContact CG-CB 3.94Å; F27-A56 HydrophobicContact CZ-CB 3.91Å; F27-A56 VanDerWaalsContact O-CB 3.32Å; F27-A56 WeakPolarHBondContact O-CB 3.49Å |
| 28 | I | 98.4 | Very high | 97.2 | Very high | 74 Ų | 74 | 66.7 Ų | 66.7 | 38% | 0.379 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.3 | -49.6 | -176 | -70.8 | 176.4 | 0 | 0 | 0 | 110.9 | L24 Y25 T30 F31 Y32 | L24-I28 HydrophobicContact CD1-CD1 3.71Å; L24-I28 HydrophobicContact CD1-CG1 4.11Å; L24-I28 HydrophobicContact CD2-CD1 4.42Å; L24-I28 HydrophobicContact CG-CD1 3.73Å; L24-I28 HydrophobicContact CG-CG1 4.4Å; L24-I28 WeakPolarHBondContact O-CB 3.34Å; L24-I28 VanDerWaalsContact O-CG1 3.29Å; L24-I28 WeakPolarHBondContact O-CG1 3.16Å; L24-I28 PolarHBondContact O-N 2.83Å; Y25-I28 PolarHBondContact O-N 2.82Å; I28-T30 PolarHBondContact O-N 2.9Å; I28-F31 WeakPolarHBondContact O-CB 3.21Å; I28-F31 PolarHBondContact O-N 3.16Å; I28-Y32 HydrophobicContact CG2-CD2 3.55Å; I28-Y32 HydrophobicContact CG2-CE2 3.59Å; I28-Y32 VanDerWaalsContact O-CD2 3.28Å; I28-Y32 WeakPolarHBondContact O-CD2 3.4Å; I28-Y32 PolarHBondContact O-N 3Å |
| 29 | D | 98.3 | Very high | 97.1 | Very high | 77 Ų | 77 | 64.6 Ų | 64.6 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58 | -48.9 | -179.9 | -179 | 86.6 | 0 | 0 | 0 | 111.2 | Y25 F31 Y32 W33 | Y25-D29 HydrophobicContact CD2-CB 4.37Å; Y25-D29 HydrophobicContact CE2-CB 3.97Å; Y25-D29 WeakPolarHBondContact O-CB 3.44Å; Y25-D29 PolarHBondContact O-N 2.87Å; Y25-D29 PolarHBondContact OH-OD1 2.78Å; D29-F31 VanDerWaalsContact C-N 3.33Å; D29-F31 PolarHBondContact O-N 3.07Å; D29-Y32 PolarHBondContact O-N 3.2Å; D29-W33 WeakPolarHBondContact O-CB 3.32Å; D29-W33 PolarHBondContact O-N 2.66Å |
| 30 | T | 97.6 | Very high | 97.1 | Very high | 14 Ų | 14 | 64.2 Ų | 64.2 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.2 | -35 | 177.5 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | L26 I28 Y34 R55 A56 L59 | L26-T30 WeakPolarHBondContact O-CB 3.27Å; L26-T30 PolarHBondContact O-N 2.9Å; L26-T30 VanDerWaalsContact O-N 3.12Å; L26-T30 PolarHBondContact O-OG1 3.37Å; I28-T30 PolarHBondContact O-N 2.9Å; T30-Y34 HydrophobicContact CG2-CD2 3.71Å; T30-Y34 HydrophobicContact CG2-CE2 3.86Å; T30-Y34 WeakPolarHBondContact O-CD2 3.36Å; T30-Y34 PolarHBondContact O-N 2.78Å; T30-R55 HydrophobicContact CG2-CB 4.3Å; T30-A56 HydrophobicContact CG2-CB 4.35Å; T30-L59 WeakPolarHBondContact OG1-CD2 3.42Å |
| 31 | F | 98.4 | Very high | 96.9 | Very high | 39 Ų | 39 | 62.1 Ų | 62.1 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -54 | 177.1 | -175.4 | -85.3 | 0 | 0 | 0 | 110.5 | F27 I28 D29 W33 Y34 E35 A52 W53 A56 | F27-F31 HydrophobicContact CE1-CB 4.5Å; F27-F31 HydrophobicContact CE1-CD2 4.23Å; F27-F31 WeakPolarHBondContact O-CB 3.1Å; F27-F31 PolarHBondContact O-N 2.84Å; I28-F31 WeakPolarHBondContact O-CB 3.21Å; I28-F31 PolarHBondContact O-N 3.16Å; D29-F31 VanDerWaalsContact C-N 3.33Å; D29-F31 PolarHBondContact O-N 3.07Å; F31-W33 VanDerWaalsContact C-N 3.34Å; F31-W33 PolarHBondContact O-N 3.45Å; F31-Y34 PolarHBondContact O-N 3.32Å; F31-E35 HydrophobicContact CD1-CG 4.07Å; F31-E35 HydrophobicContact CE1-CG 3.69Å; F31-E35 HydrophobicContact CZ-CG 4.18Å; F31-E35 WeakPolarHBondContact O-CG 3.25Å; F31-E35 PolarHBondContact O-N 2.93Å; F31-A52 HydrophobicContact CD2-CB 3.61Å; F31-A52 HydrophobicContact CE2-CB 3.69Å; F31-A52 HydrophobicContact CG-CB 4.05Å; F31-A52 HydrophobicContact CZ-CB 4.2Å; F31-W53 HydrophobicContact CD2-CD2 4.48Å; F31-W53 AromaticContact CE2-CD1 3.69Å; F31-W53 AromaticContact CE2-CD2 3.88Å; F31-W53 HydrophobicContact CE2-CD2 3.88Å; F31-W53 AromaticContact CE2-CE2 3.63Å; F31-W53 AromaticContact CE2-CG 3.88Å; F31-W53 HydrophobicContact CE2-CG 3.88Å; F31-W53 HydrophobicContact CE2-CZ2 4.21Å; F31-W53 AromaticContact CE2-NE1 3.51Å; F31-W53 AromaticContact CZ-NE1 3.91Å; F31-A56 HydrophobicContact CB-CB 4.08Å |
| 32 | Y | 98.1 | Very high | 96.8 | Very high | 132 Ų | 132 | 60.4 Ų | 60.4 | 52% | 0.518 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 177.9 | -80.9 | -69.3 | 0 | 0 | 0 | 112 | I28 D29 Y34 E35 E36 | I28-Y32 HydrophobicContact CG2-CD2 3.55Å; I28-Y32 HydrophobicContact CG2-CE2 3.59Å; I28-Y32 VanDerWaalsContact O-CD2 3.28Å; I28-Y32 WeakPolarHBondContact O-CD2 3.4Å; I28-Y32 PolarHBondContact O-N 3Å; D29-Y32 PolarHBondContact O-N 3.2Å; Y32-Y34 VanDerWaalsContact C-N 3.32Å; Y32-Y34 PolarHBondContact O-N 2.96Å; Y32-E35 PolarHBondContact O-N 2.97Å; Y32-E36 WeakPolarHBondContact O-CB 3.4Å; Y32-E36 PolarHBondContact O-N 2.97Å |
| 33 | W | 96.8 | Very high | 96.7 | Very high | 90 Ų | 90 | 57.7 Ų | 57.7 | 34% | 0.341 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.1 | -46.8 | 175.9 | -172.5 | 74.5 | 0 | 0 | 0 | 111.8 | D29 F31 E35 E36 E37 F40 | D29-W33 WeakPolarHBondContact O-CB 3.32Å; D29-W33 PolarHBondContact O-N 2.66Å; F31-W33 VanDerWaalsContact C-N 3.34Å; F31-W33 PolarHBondContact O-N 3.45Å; W33-E35 VanDerWaalsContact C-N 3.32Å; W33-E35 PolarHBondContact O-N 3.42Å; W33-E36 PolarHBondContact O-N 3.25Å; W33-E37 HydrophobicContact CD2-CB 4.33Å; W33-E37 HydrophobicContact CH2-CG 4.48Å; W33-E37 HydrophobicContact CZ2-CB 4.48Å; W33-E37 HydrophobicContact CZ2-CG 3.84Å; W33-E37 PolarHBondContact NE1-OE2 3.09Å; W33-E37 WeakPolarHBondContact O-CB 3.4Å; W33-E37 PolarHBondContact O-N 3.46Å; W33-F40 HydrophobicContact CH2-CD2 4.11Å; W33-F40 AromaticContact CH2-CE2 3.4Å; W33-F40 HydrophobicContact CH2-CE2 3.4Å; W33-F40 HydrophobicContact CH2-CZ 4.28Å; W33-F40 HydrophobicContact CZ2-CE2 4.36Å; W33-F40 HydrophobicContact CZ3-CD2 4.02Å; W33-F40 AromaticContact CZ3-CE2 3.52Å; W33-F40 HydrophobicContact CZ3-CE2 3.52Å; W33-F40 HydrophobicContact CZ3-CZ 4.3Å |
| 34 | Y | 96.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.7 | -20.9 | 178.3 | -86.7 | -78.6 | 0 | 0 | 0 | 114.1 | T30 F31 Y32 F40 R44 L51 R55 K263 | T30-Y34 HydrophobicContact CG2-CD2 3.71Å; T30-Y34 HydrophobicContact CG2-CE2 3.86Å; T30-Y34 WeakPolarHBondContact O-CD2 3.36Å; T30-Y34 PolarHBondContact O-N 2.78Å; F31-Y34 PolarHBondContact O-N 3.32Å; Y32-Y34 VanDerWaalsContact C-N 3.32Å; Y32-Y34 PolarHBondContact O-N 2.96Å; Y34-F40 HydrophobicContact CD1-CD1 4.18Å; Y34-F40 HydrophobicContact CD1-CD2 4.01Å; Y34-F40 HydrophobicContact CD1-CE1 4.45Å; Y34-F40 HydrophobicContact CD1-CE2 4.33Å; Y34-F40 AromaticContact CD1-CG 3.95Å; Y34-F40 HydrophobicContact CD1-CG 3.95Å; Y34-F40 AromaticContact CE1-CD1 3.93Å; Y34-F40 HydrophobicContact CE1-CD1 3.93Å; Y34-F40 AromaticContact CE1-CD2 3.95Å; Y34-F40 HydrophobicContact CE1-CD2 3.95Å; Y34-F40 AromaticContact CE1-CE1 3.75Å; Y34-F40 HydrophobicContact CE1-CE1 3.75Å; Y34-F40 AromaticContact CE1-CE2 3.81Å; Y34-F40 HydrophobicContact CE1-CE2 3.81Å; Y34-F40 HydrophobicContact CE1-CG 4.03Å; Y34-F40 AromaticContact CE1-CZ 3.7Å; Y34-F40 HydrophobicContact CE1-CZ 3.7Å; Y34-R44 WeakPolarHBondContact O-CD 3.46Å; Y34-R44 PolarHBondContact O-NH1 3.32Å; Y34-L51 HydrophobicContact CD1-CD1 4.34Å; Y34-L51 HydrophobicContact CD1-CD2 3.96Å; Y34-L51 HydrophobicContact CD1-CG 3.95Å; Y34-R55 HydrophobicContact CD1-CB 4.46Å; Y34-R55 HydrophobicContact CD1-CG 4.06Å; Y34-R55 HydrophobicContact CD2-CB 3.42Å; Y34-R55 VanDerWaalsContact CD2-CB 3.42Å; Y34-R55 HydrophobicContact CD2-CG 3.92Å; Y34-R55 HydrophobicContact CE1-CB 4.34Å; Y34-R55 HydrophobicContact CE1-CG 3.77Å; Y34-R55 HydrophobicContact CE2-CB 3.3Å; Y34-R55 HydrophobicContact CE2-CG 3.65Å; Y34-R55 HydrophobicContact CG-CB 4.03Å; Y34-R55 HydrophobicContact CG-CG 4.12Å; Y34-R55 PolarHBondContact OH-NE 3.04Å; Y34-K263 WeakPolarHBondContact OH-CD 3.47Å; Y34-K263 PolarHBondContact OH-NZ 3.01Å; Y34-K263 VanDerWaalsContact OH-NZ 3.13Å |
| 35 | E | 96.6 | Very high | 96.4 | Very high | 62 Ų | 62 | 55.7 Ų | 55.7 | 29% | 0.29 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -79 | -35.9 | 173.3 | -75.6 | -60.3 | 111.8 | 0 | 0 | 113 | F31 Y32 W33 R44 S49 A52 | F31-E35 HydrophobicContact CD1-CG 4.07Å; F31-E35 HydrophobicContact CE1-CG 3.69Å; F31-E35 HydrophobicContact CZ-CG 4.18Å; F31-E35 WeakPolarHBondContact O-CG 3.25Å; F31-E35 PolarHBondContact O-N 2.93Å; Y32-E35 PolarHBondContact O-N 2.97Å; W33-E35 VanDerWaalsContact C-N 3.32Å; W33-E35 PolarHBondContact O-N 3.42Å; E35-R44 WeakPolarHBondContact O-CD 3.46Å; E35-R44 PolarHBondContact O-NE 3.34Å; E35-R44 PolarHBondContact O-NH2 3.5Å; E35-S49 WeakPolarHBondContact OE1-CA 3.22Å; E35-S49 WeakPolarHBondContact OE1-CB 3.22Å; E35-A52 HydrophobicContact CG-CB 3.94Å; E35-A52 WeakPolarHBondContact OE1-CB 3.26Å |
| 36 | E | 95.2 | Very high | 96.3 | Very high | 137 Ų | 137 | 49.5 Ų | 49.5 | 64% | 0.64 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -100.7 | -38.2 | -170 | -65.9 | 179.3 | 175.6 | 0 | 0 | 112.8 | Y32 W33 E38 R44 | Y32-E36 WeakPolarHBondContact O-CB 3.4Å; Y32-E36 PolarHBondContact O-N 2.97Å; W33-E36 PolarHBondContact O-N 3.25Å; E36-E38 PolarHBondContact O-N 3.02Å; E36-R44 PolarHBondContact O-NH2 2.96Å |
| 37 | E | 94.8 | Very high | 96.1 | Very high | 71 Ų | 71 | 48.3 Ų | 48.3 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | trans | -56.8 | 127.2 | -171.5 | -176.6 | 69.4 | -139.7 | 0 | 0 | 112.4 | W33 S39 F40 R44 | W33-E37 HydrophobicContact CD2-CB 4.33Å; W33-E37 HydrophobicContact CH2-CG 4.48Å; W33-E37 HydrophobicContact CZ2-CB 4.48Å; W33-E37 HydrophobicContact CZ2-CG 3.84Å; W33-E37 PolarHBondContact NE1-OE2 3.09Å; W33-E37 WeakPolarHBondContact O-CB 3.4Å; W33-E37 PolarHBondContact O-N 3.46Å; E37-S39 VanDerWaalsContact C-N 3.32Å; E37-S39 VanDerWaalsContact CG-OG 3.23Å; E37-S39 WeakPolarHBondContact CG-OG 3.35Å; E37-S39 PolarHBondContact O-N 3.3Å; E37-F40 HydrophobicContact CB-CD2 4.48Å; E37-F40 HydrophobicContact CG-CD2 4.25Å; E37-F40 PolarHBondContact O-N 2.79Å; E37-R44 VanDerWaalsContact O-CZ 3.26Å; E37-R44 PolarHBondContact O-NH1 3.2Å; E37-R44 PolarHBondContact O-NH2 3.39Å | ||
| 38 | E | 93 | Very high | 96 | Very high | 127 Ų | 127 | 47.6 Ų | 47.6 | 59% | 0.593 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -63.7 | -35.3 | -174.1 | -68.3 | -171.2 | 166.8 | 0 | 0 | 112.8 | E36 F40 H41 I239 | E36-E38 PolarHBondContact O-N 3.02Å; E38-F40 PolarHBondContact O-N 2.89Å; E38-H41 WeakPolarHBondContact O-CB 3.29Å; E38-H41 PolarHBondContact O-N 3.29Å; E38-I239 HydrophobicContact CB-CD1 3.92Å; E38-I239 WeakPolarHBondContact O-CD1 3.5Å |
| 39 | S | 94.1 | Very high | 95.9 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -57.3 | -24.8 | 178.4 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | E37 G228 Q229 | E37-S39 VanDerWaalsContact C-N 3.32Å; E37-S39 VanDerWaalsContact CG-OG 3.23Å; E37-S39 WeakPolarHBondContact CG-OG 3.35Å; E37-S39 PolarHBondContact O-N 3.3Å; S39-G228 CarbonylContact O-C 3.59Å; S39-G228 WeakPolarHBondContact O-CA 3.4Å; S39-Q229 PolarHBondContact O-N 3.22Å |
| 40 | F | 95.4 | Very high | 95.8 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -102.5 | 7.5 | 177.4 | -67.9 | -79.9 | 0 | 0 | 0 | 113.5 | W33 Y34 E37 E38 Y42 T43 R44 L51 V226 | W33-F40 HydrophobicContact CH2-CD2 4.11Å; W33-F40 AromaticContact CH2-CE2 3.4Å; W33-F40 HydrophobicContact CH2-CE2 3.4Å; W33-F40 HydrophobicContact CH2-CZ 4.28Å; W33-F40 HydrophobicContact CZ2-CE2 4.36Å; W33-F40 HydrophobicContact CZ3-CD2 4.02Å; W33-F40 AromaticContact CZ3-CE2 3.52Å; W33-F40 HydrophobicContact CZ3-CE2 3.52Å; W33-F40 HydrophobicContact CZ3-CZ 4.3Å; Y34-F40 HydrophobicContact CD1-CD1 4.18Å; Y34-F40 HydrophobicContact CD1-CD2 4.01Å; Y34-F40 HydrophobicContact CD1-CE1 4.45Å; Y34-F40 HydrophobicContact CD1-CE2 4.33Å; Y34-F40 AromaticContact CD1-CG 3.95Å; Y34-F40 HydrophobicContact CD1-CG 3.95Å; Y34-F40 AromaticContact CE1-CD1 3.93Å; Y34-F40 HydrophobicContact CE1-CD1 3.93Å; Y34-F40 AromaticContact CE1-CD2 3.95Å; Y34-F40 HydrophobicContact CE1-CD2 3.95Å; Y34-F40 AromaticContact CE1-CE1 3.75Å; Y34-F40 HydrophobicContact CE1-CE1 3.75Å; Y34-F40 AromaticContact CE1-CE2 3.81Å; Y34-F40 HydrophobicContact CE1-CE2 3.81Å; Y34-F40 HydrophobicContact CE1-CG 4.03Å; Y34-F40 AromaticContact CE1-CZ 3.7Å; Y34-F40 HydrophobicContact CE1-CZ 3.7Å; E37-F40 HydrophobicContact CB-CD2 4.48Å; E37-F40 HydrophobicContact CG-CD2 4.25Å; E37-F40 PolarHBondContact O-N 2.79Å; E38-F40 PolarHBondContact O-N 2.89Å; F40-Y42 PolarHBondContact O-N 3.49Å; F40-T43 HydrophobicContact CD1-CG2 4.47Å; F40-T43 CarbonylContact O-C 3.59Å; F40-T43 WeakPolarHBondContact O-CA 3.46Å; F40-T43 WeakPolarHBondContact O-CB 3.34Å; F40-T43 PolarHBondContact O-N 2.77Å; F40-T43 VanDerWaalsContact O-N 3.1Å; F40-R44 VanDerWaalsContact CB-NH1 3.35Å; F40-R44 WeakPolarHBondContact O-CG 3.44Å; F40-R44 PolarHBondContact O-N 3.14Å; F40-L51 HydrophobicContact CB-CD2 4.12Å; F40-L51 HydrophobicContact CD1-CD2 4.16Å; F40-L51 HydrophobicContact CG-CD2 4.41Å; F40-V226 HydrophobicContact CE1-CG1 4.26Å |
| 41 | H | 94.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 42.8 Ų | 42.8 | 19% | 0.185 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.5 | -54.5 | -178 | -177.8 | 81.8 | 0 | 0 | 0 | 112.2 | E38 T43 R44 V45 I239 | E38-H41 WeakPolarHBondContact O-CB 3.29Å; E38-H41 PolarHBondContact O-N 3.29Å; H41-T43 VanDerWaalsContact C-N 3.31Å; H41-T43 PolarHBondContact O-N 3.04Å; H41-R44 CarbonylContact O-C 3.59Å; H41-R44 WeakPolarHBondContact O-CA 3.3Å; H41-R44 WeakPolarHBondContact O-CB 3.3Å; H41-R44 PolarHBondContact O-N 3.19Å; H41-R44 VanDerWaalsContact O-N 3.11Å; H41-V45 PolarHBondContact O-N 3.38Å; H41-I239 HydrophobicContact CB-CD1 4.29Å; H41-I239 HydrophobicContact CB-CG2 4.21Å; H41-I239 VanDerWaalsContact CD2-CG2 3.43Å; H41-I239 WeakPolarHBondContact CD2-CG2 3.38Å |
| 42 | Y | 95.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.2 | -32.6 | 178.4 | -68.9 | -49.4 | 0 | 0 | 0 | 113.2 | F40 R44 V45 I46 L138 L142 H237 I239 R243 W249 P258 F260 | F40-Y42 PolarHBondContact O-N 3.49Å; Y42-R44 VanDerWaalsContact C-N 3.29Å; Y42-R44 PolarHBondContact O-N 2.88Å; Y42-V45 HydrophobicContact CD1-CG2 4.48Å; Y42-V45 WeakPolarHBondContact O-CB 3.44Å; Y42-V45 PolarHBondContact O-N 2.83Å; Y42-I46 PolarHBondContact O-N 3.12Å; Y42-L138 HydrophobicContact CD1-CD1 4.48Å; Y42-L138 HydrophobicContact CE1-CD1 4.14Å; Y42-L138 HydrophobicContact CE1-CD2 4.38Å; Y42-L142 HydrophobicContact CD1-CD1 3.85Å; Y42-L142 HydrophobicContact CD1-CD2 3.92Å; Y42-L142 HydrophobicContact CD1-CG 4.43Å; Y42-L142 HydrophobicContact CD2-CD2 4.43Å; Y42-L142 HydrophobicContact CG-CD1 4.25Å; Y42-L142 HydrophobicContact CG-CD2 3.81Å; Y42-H237 AromaticContact CE2-CD2 3.84Å; Y42-H237 AromaticContact CE2-NE2 3.36Å; Y42-H237 WeakPolarHBondContact CE2-NE2 3.26Å; Y42-H237 AromaticContact CZ-NE2 3.4Å; Y42-H237 PolarHBondContact OH-NE2 2.98Å; Y42-I239 HydrophobicContact CE2-CG1 4.28Å; Y42-R243 HydrophobicContact CE1-CB 4.24Å; Y42-R243 HydrophobicContact CE1-CG 4.35Å; Y42-R243 WeakPolarHBondContact OH-CA 3.25Å; Y42-R243 PolarHBondContact OH-N 3.02Å; Y42-W249 HydrophobicContact CE1-CH2 4.39Å; Y42-W249 HydrophobicContact CE1-CZ2 4.2Å; Y42-W249 AromaticContact CZ-CZ2 3.99Å; Y42-P258 HydrophobicContact CD2-CB 4.3Å; Y42-P258 HydrophobicContact CD2-CG 4.47Å; Y42-P258 HydrophobicContact CE2-CB 4.08Å; Y42-P258 HydrophobicContact CE2-CG 4.23Å; Y42-F260 HydrophobicContact CD2-CE1 4.2Å; Y42-F260 AromaticContact CD2-CZ 3.98Å; Y42-F260 HydrophobicContact CD2-CZ 3.98Å; Y42-F260 HydrophobicContact CG-CZ 4.32Å |
| 43 | T | 95.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -40.1 | 172.4 | -42.5 | 0 | 0 | 0 | 0 | 110.9 | F40 H41 I46 L47 L51 L154 R227 | F40-T43 HydrophobicContact CD1-CG2 4.47Å; F40-T43 CarbonylContact O-C 3.59Å; F40-T43 WeakPolarHBondContact O-CA 3.46Å; F40-T43 WeakPolarHBondContact O-CB 3.34Å; F40-T43 PolarHBondContact O-N 2.77Å; F40-T43 VanDerWaalsContact O-N 3.1Å; H41-T43 VanDerWaalsContact C-N 3.31Å; H41-T43 PolarHBondContact O-N 3.04Å; T43-I46 PolarHBondContact O-N 3.05Å; T43-L47 HydrophobicContact CG2-CD1 4.04Å; T43-L47 HydrophobicContact CG2-CG 4.49Å; T43-L47 WeakPolarHBondContact O-CB 3.42Å; T43-L47 PolarHBondContact O-N 3.29Å; T43-L51 HydrophobicContact CG2-CD1 4.39Å; T43-L51 HydrophobicContact CG2-CD2 3.75Å; T43-L154 HydrophobicContact CG2-CD1 4.21Å; T43-L154 WeakPolarHBondContact OG1-CD1 3.36Å; T43-R227 WeakPolarHBondContact CG2-O 3.41Å; T43-R227 PolarHBondContact OG1-O 2.99Å |
| 44 | R | 95.8 | Very high | 95.8 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 13% | 0.132 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.8 | -27.9 | 174.1 | -71.1 | -169.6 | -67.8 | -80.2 | 6 | 113.4 | Y34 E35 E36 E37 F40 H41 Y42 I46 G48 L51 | Y34-R44 WeakPolarHBondContact O-CD 3.46Å; Y34-R44 PolarHBondContact O-NH1 3.32Å; E35-R44 WeakPolarHBondContact O-CD 3.46Å; E35-R44 PolarHBondContact O-NE 3.34Å; E35-R44 PolarHBondContact O-NH2 3.5Å; E36-R44 PolarHBondContact O-NH2 2.96Å; E37-R44 VanDerWaalsContact O-CZ 3.26Å; E37-R44 PolarHBondContact O-NH1 3.2Å; E37-R44 PolarHBondContact O-NH2 3.39Å; F40-R44 VanDerWaalsContact CB-NH1 3.35Å; F40-R44 WeakPolarHBondContact O-CG 3.44Å; F40-R44 PolarHBondContact O-N 3.14Å; H41-R44 CarbonylContact O-C 3.59Å; H41-R44 WeakPolarHBondContact O-CA 3.3Å; H41-R44 WeakPolarHBondContact O-CB 3.3Å; H41-R44 PolarHBondContact O-N 3.19Å; H41-R44 VanDerWaalsContact O-N 3.11Å; Y42-R44 VanDerWaalsContact C-N 3.29Å; Y42-R44 PolarHBondContact O-N 2.88Å; R44-I46 PolarHBondContact O-N 3.4Å; R44-G48 WeakPolarHBondContact O-CA 3.35Å; R44-G48 PolarHBondContact O-N 2.78Å; R44-L51 HydrophobicContact CG-CD2 4.12Å |
| 45 | V | 95.1 | Very high | 95.8 | Very high | 45 Ų | 45 | 37.8 Ų | 37.8 | 27% | 0.273 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.5 | -38.1 | 172.1 | 173 | 0 | 0 | 0 | 0 | 110.7 | H41 Y42 L138 L142 | H41-V45 PolarHBondContact O-N 3.38Å; Y42-V45 HydrophobicContact CD1-CG2 4.48Å; Y42-V45 WeakPolarHBondContact O-CB 3.44Å; Y42-V45 PolarHBondContact O-N 2.83Å; V45-L138 HydrophobicContact CG1-CD2 3.96Å; V45-L138 HydrophobicContact CG1-CG 4.17Å; V45-L138 HydrophobicContact CG2-CD2 4.05Å; V45-L142 HydrophobicContact CB-CD1 4.04Å; V45-L142 HydrophobicContact CG1-CD1 3.99Å |
| 46 | I | 95.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -81.7 | -53.6 | 176.3 | -57.4 | 177 | 0 | 0 | 0 | 111 | Y42 T43 R44 Y127 S130 L139 L142 L154 | Y42-I46 PolarHBondContact O-N 3.12Å; T43-I46 PolarHBondContact O-N 3.05Å; R44-I46 PolarHBondContact O-N 3.4Å; I46-Y127 HydrophobicContact CD1-CE1 4.43Å; I46-Y127 HydrophobicContact CG2-CD1 3.65Å; I46-Y127 HydrophobicContact CG2-CE1 3.97Å; I46-S130 WeakPolarHBondContact CG2-OG 3.46Å; I46-L139 HydrophobicContact CB-CD1 4.22Å; I46-L139 HydrophobicContact CG1-CD1 3.93Å; I46-L139 HydrophobicContact CG2-CD1 4.42Å; I46-L142 HydrophobicContact CD1-CB 4.13Å; I46-L142 HydrophobicContact CG1-CD1 4.49Å; I46-L154 HydrophobicContact CD1-CD2 3.73Å; I46-L154 HydrophobicContact CD1-CG 3.98Å |
| 47 | L | 95.9 | Very high | 96 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -90.6 | -16 | -167.9 | -63.6 | -171.1 | 0 | 0 | 0 | 114.3 | T43 T50 L51 N123 R126 Y127 | T43-L47 HydrophobicContact CG2-CD1 4.04Å; T43-L47 HydrophobicContact CG2-CG 4.49Å; T43-L47 WeakPolarHBondContact O-CB 3.42Å; T43-L47 PolarHBondContact O-N 3.29Å; L47-T50 PolarHBondContact O-OG1 3.32Å; L47-L51 HydrophobicContact CB-CB 4Å; L47-L51 HydrophobicContact CD1-CB 4.22Å; L47-L51 HydrophobicContact CD1-CD1 4.09Å; L47-N123 HydrophobicContact CD1-CB 4.3Å; L47-N123 HydrophobicContact CD2-CB 3.84Å; L47-N123 WeakPolarHBondContact CD2-O 3.39Å; L47-R126 HydrophobicContact CD2-CB 4.14Å; L47-R126 WeakPolarHBondContact O-CD 3.45Å; L47-R126 PolarHBondContact O-NH1 2.81Å; L47-Y127 HydrophobicContact CD1-CE1 4.36Å; L47-Y127 HydrophobicContact CD1-CE2 3.86Å; L47-Y127 VanDerWaalsContact CD1-OH 3.29Å; L47-Y127 WeakPolarHBondContact CD1-OH 3.4Å; L47-Y127 HydrophobicContact CD2-CD1 4.05Å; L47-Y127 HydrophobicContact CD2-CD2 3.82Å; L47-Y127 HydrophobicContact CD2-CE1 3.86Å; L47-Y127 HydrophobicContact CD2-CE2 3.66Å; L47-Y127 HydrophobicContact CD2-CG 4.01Å; L47-Y127 HydrophobicContact CG-CE1 4.1Å; L47-Y127 HydrophobicContact CG-CE2 4.21Å |
| 48 | G | 95.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 25.7 Ų | 25.7 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | -147.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R44 T50 L51 | R44-G48 WeakPolarHBondContact O-CA 3.35Å; R44-G48 PolarHBondContact O-N 2.78Å; G48-T50 PolarHBondContact O-N 2.98Å; G48-L51 PolarHBondContact O-N 3.01Å |
| 49 | S | 95.9 | Very high | 96.3 | Very high | 47 Ų | 47 | 21.3 Ų | 21.3 | 33% | 0.329 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -12.2 | -175.3 | 62.1 | 0 | 0 | 0 | 0 | 115.2 | E35 L51 A52 W53 | E35-S49 WeakPolarHBondContact OE1-CA 3.22Å; E35-S49 WeakPolarHBondContact OE1-CB 3.22Å; S49-L51 PolarHBondContact O-N 3.21Å; S49-A52 WeakPolarHBondContact O-CB 3.4Å; S49-A52 PolarHBondContact O-N 3.09Å; S49-W53 PolarHBondContact O-N 2.81Å |
| 50 | T | 96.8 | Very high | 96.5 | Very high | 16 Ų | 16 | 20.6 Ų | 20.6 | 10% | 0.098 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.8 | -17.7 | 175.5 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | L47 G48 A54 F122 N123 | L47-T50 PolarHBondContact O-OG1 3.32Å; G48-T50 PolarHBondContact O-N 2.98Å; T50-A54 WeakPolarHBondContact O-CB 3.43Å; T50-A54 PolarHBondContact O-N 3.24Å; T50-A54 VanDerWaalsContact O-N 3.12Å; T50-F122 HydrophobicContact CG2-CB 3.93Å; T50-F122 HydrophobicContact CG2-CG 4.46Å; T50-N123 VanDerWaalsContact C-OD1 3.27Å; T50-N123 VanDerWaalsContact CB-OD1 3.23Å; T50-N123 WeakPolarHBondContact CB-OD1 3.37Å; T50-N123 PolarHBondContact O-ND2 3.44Å; T50-N123 VanDerWaalsContact O-ND2 3.11Å; T50-N123 PolarHBondContact O-OD1 2.97Å; T50-N123 PolarHBondContact OG1-OD1 2.92Å |
| 51 | L | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.3 | -55.6 | 164.6 | 175.5 | 62.9 | 0 | 0 | 0 | 110.6 | Y34 F40 T43 R44 L47 G48 S49 W53 A54 R55 N123 V226 | Y34-L51 HydrophobicContact CD1-CD1 4.34Å; Y34-L51 HydrophobicContact CD1-CD2 3.96Å; Y34-L51 HydrophobicContact CD1-CG 3.95Å; F40-L51 HydrophobicContact CB-CD2 4.12Å; F40-L51 HydrophobicContact CD1-CD2 4.16Å; F40-L51 HydrophobicContact CG-CD2 4.41Å; T43-L51 HydrophobicContact CG2-CD1 4.39Å; T43-L51 HydrophobicContact CG2-CD2 3.75Å; R44-L51 HydrophobicContact CG-CD2 4.12Å; L47-L51 HydrophobicContact CB-CB 4Å; L47-L51 HydrophobicContact CD1-CB 4.22Å; L47-L51 HydrophobicContact CD1-CD1 4.09Å; G48-L51 PolarHBondContact O-N 3.01Å; S49-L51 PolarHBondContact O-N 3.21Å; L51-W53 PolarHBondContact O-N 3.5Å; L51-A54 PolarHBondContact O-N 2.88Å; L51-R55 HydrophobicContact CD1-CG 3.94Å; L51-R55 HydrophobicContact CG-CG 4.5Å; L51-R55 VanDerWaalsContact O-CG 3.26Å; L51-R55 WeakPolarHBondContact O-CG 3.43Å; L51-R55 PolarHBondContact O-N 2.97Å; L51-N123 PolarHBondContact N-OD1 3.45Å; L51-V226 HydrophobicContact CD1-CG1 3.63Å |
| 52 | A | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F31 E35 S49 A54 R55 A56 | F31-A52 HydrophobicContact CD2-CB 3.61Å; F31-A52 HydrophobicContact CE2-CB 3.69Å; F31-A52 HydrophobicContact CG-CB 4.05Å; F31-A52 HydrophobicContact CZ-CB 4.2Å; E35-A52 HydrophobicContact CG-CB 3.94Å; E35-A52 WeakPolarHBondContact OE1-CB 3.26Å; S49-A52 WeakPolarHBondContact O-CB 3.4Å; S49-A52 PolarHBondContact O-N 3.09Å; A52-A54 PolarHBondContact O-N 2.58Å; A52-R55 PolarHBondContact O-N 3.43Å; A52-A56 VanDerWaalsContact O-CB 3.24Å; A52-A56 WeakPolarHBondContact O-CB 3.41Å; A52-A56 PolarHBondContact O-N 3.28Å |
| 53 | W | 98.3 | Very high | 96.8 | Very high | 108 Ų | 108 | 21.1 Ų | 21.1 | 41% | 0.409 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -56.1 | -45.8 | 174.4 | -75.7 | 103.2 | 0 | 0 | 0 | 112.8 | F27 F31 S49 L51 S57 I115 A119 | F27-W53 HydrophobicContact CE1-CE3 4.26Å; F27-W53 AromaticContact CE1-CZ3 3.97Å; F27-W53 HydrophobicContact CE1-CZ3 3.97Å; F27-W53 AromaticContact CZ-CE3 3.54Å; F27-W53 HydrophobicContact CZ-CE3 3.54Å; F27-W53 HydrophobicContact CZ-CH2 4.49Å; F27-W53 AromaticContact CZ-CZ3 3.53Å; F27-W53 HydrophobicContact CZ-CZ3 3.53Å; F31-W53 HydrophobicContact CD2-CD2 4.48Å; F31-W53 AromaticContact CE2-CD1 3.69Å; F31-W53 AromaticContact CE2-CD2 3.88Å; F31-W53 HydrophobicContact CE2-CD2 3.88Å; F31-W53 AromaticContact CE2-CE2 3.63Å; F31-W53 AromaticContact CE2-CG 3.88Å; F31-W53 HydrophobicContact CE2-CG 3.88Å; F31-W53 HydrophobicContact CE2-CZ2 4.21Å; F31-W53 AromaticContact CE2-NE1 3.51Å; F31-W53 AromaticContact CZ-NE1 3.91Å; S49-W53 PolarHBondContact O-N 2.81Å; L51-W53 PolarHBondContact O-N 3.5Å; W53-S57 WeakPolarHBondContact O-CB 3.35Å; W53-S57 PolarHBondContact O-N 2.93Å; W53-S57 PolarHBondContact O-OG 2.84Å; W53-I115 HydrophobicContact CE3-CG2 3.94Å; W53-A119 HydrophobicContact CB-CB 3.92Å |
| 54 | A | 97.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.7 | -39 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | T50 L51 A52 S57 A58 H116 A119 | T50-A54 WeakPolarHBondContact O-CB 3.43Å; T50-A54 PolarHBondContact O-N 3.24Å; T50-A54 VanDerWaalsContact O-N 3.12Å; L51-A54 PolarHBondContact O-N 2.88Å; A52-A54 PolarHBondContact O-N 2.58Å; A54-S57 PolarHBondContact O-OG 3.41Å; A54-S57 VanDerWaalsContact O-OG 3.1Å; A54-A58 VanDerWaalsContact O-CB 3.27Å; A54-A58 WeakPolarHBondContact O-CB 3.22Å; A54-A58 PolarHBondContact O-N 2.78Å; A54-A58 VanDerWaalsContact O-N 3.16Å; A54-H116 PolarHBondContact O-ND1 3.14Å; A54-A119 HydrophobicContact CB-CB 3.75Å |
| 55 | R | 96.8 | Very high | 97 | Very high | 51 Ų | 51 | 19.5 Ų | 19.5 | 19% | 0.192 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -80.8 | -38.9 | -175.8 | -61.2 | -54.6 | -61.6 | 175.3 | 0.7 | 113.4 | T30 Y34 L51 A52 A58 L59 | T30-R55 HydrophobicContact CG2-CB 4.3Å; Y34-R55 HydrophobicContact CD1-CB 4.46Å; Y34-R55 HydrophobicContact CD1-CG 4.06Å; Y34-R55 HydrophobicContact CD2-CB 3.42Å; Y34-R55 VanDerWaalsContact CD2-CB 3.42Å; Y34-R55 HydrophobicContact CD2-CG 3.92Å; Y34-R55 HydrophobicContact CE1-CB 4.34Å; Y34-R55 HydrophobicContact CE1-CG 3.77Å; Y34-R55 HydrophobicContact CE2-CB 3.3Å; Y34-R55 HydrophobicContact CE2-CG 3.65Å; Y34-R55 HydrophobicContact CG-CB 4.03Å; Y34-R55 HydrophobicContact CG-CG 4.12Å; Y34-R55 PolarHBondContact OH-NE 3.04Å; L51-R55 HydrophobicContact CD1-CG 3.94Å; L51-R55 HydrophobicContact CG-CG 4.5Å; L51-R55 VanDerWaalsContact O-CG 3.26Å; L51-R55 WeakPolarHBondContact O-CG 3.43Å; L51-R55 PolarHBondContact O-N 2.97Å; A52-R55 PolarHBondContact O-N 3.43Å; R55-A58 PolarHBondContact O-N 2.94Å; R55-L59 PolarHBondContact O-N 2.91Å; R55-L59 VanDerWaalsContact O-N 3.08Å |
| 56 | A | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.2 | -51.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | F27 T30 F31 A52 A58 L59 C60 | F27-A56 HydrophobicContact CD1-CB 4.14Å; F27-A56 HydrophobicContact CD2-CB 3.74Å; F27-A56 HydrophobicContact CE1-CB 4.12Å; F27-A56 HydrophobicContact CE2-CB 3.73Å; F27-A56 HydrophobicContact CG-CB 3.94Å; F27-A56 HydrophobicContact CZ-CB 3.91Å; F27-A56 VanDerWaalsContact O-CB 3.32Å; F27-A56 WeakPolarHBondContact O-CB 3.49Å; T30-A56 HydrophobicContact CG2-CB 4.35Å; F31-A56 HydrophobicContact CB-CB 4.08Å; A52-A56 VanDerWaalsContact O-CB 3.24Å; A52-A56 WeakPolarHBondContact O-CB 3.41Å; A52-A56 PolarHBondContact O-N 3.28Å; A56-A58 VanDerWaalsContact C-N 3.32Å; A56-A58 PolarHBondContact O-N 2.98Å; A56-L59 PolarHBondContact O-N 2.93Å; A56-L59 VanDerWaalsContact O-N 3.16Å; A56-C60 PolarHBondContact O-N 3.32Å; A56-C60 VanDerWaalsContact O-N 3.14Å; A56-C60 PolarHBondContact O-SG 2.88Å; A56-C60 VanDerWaalsContact O-SG 3.42Å |
| 57 | S | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.4 | -36.8 | 175.8 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | W53 A54 L59 C60 L61 H116 | W53-S57 WeakPolarHBondContact O-CB 3.35Å; W53-S57 PolarHBondContact O-N 2.93Å; W53-S57 PolarHBondContact O-OG 2.84Å; A54-S57 PolarHBondContact O-OG 3.41Å; A54-S57 VanDerWaalsContact O-OG 3.1Å; S57-L59 PolarHBondContact O-N 2.95Å; S57-C60 PolarHBondContact O-N 3.47Å; S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 2.82Å; S57-H116 VanDerWaalsContact OG-CA 3.32Å; S57-H116 WeakPolarHBondContact OG-CA 3.39Å; S57-H116 WeakPolarHBondContact OG-CB 3.46Å |
| 58 | A | 96.9 | Very high | 97.1 | Very high | 15 Ų | 15 | 21.6 Ų | 21.6 | 12% | 0.124 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.8 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A54 R55 A56 L61 N62 | A54-A58 VanDerWaalsContact O-CB 3.27Å; A54-A58 WeakPolarHBondContact O-CB 3.22Å; A54-A58 PolarHBondContact O-N 2.78Å; A54-A58 VanDerWaalsContact O-N 3.16Å; R55-A58 PolarHBondContact O-N 2.94Å; A56-A58 VanDerWaalsContact C-N 3.32Å; A56-A58 PolarHBondContact O-N 2.98Å; A58-L61 WeakPolarHBondContact O-CB 3.26Å; A58-L61 PolarHBondContact O-N 2.75Å; A58-N62 PolarHBondContact O-N 2.83Å; A58-N62 PolarHBondContact O-ND2 3.39Å |
| 59 | L | 97.3 | Very high | 97.1 | Very high | 35 Ų | 35 | 21.1 Ų | 21.1 | 18% | 0.183 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.8 | -42.4 | 176.8 | -173.3 | 62.1 | 0 | 0 | 0 | 111.3 | L26 T30 R55 A56 S57 L61 N62 F63 W270 | L26-L59 HydrophobicContact CB-CD2 4.22Å; L26-L59 HydrophobicContact CD2-CD2 3.99Å; T30-L59 WeakPolarHBondContact OG1-CD2 3.42Å; R55-L59 PolarHBondContact O-N 2.91Å; R55-L59 VanDerWaalsContact O-N 3.08Å; A56-L59 PolarHBondContact O-N 2.93Å; A56-L59 VanDerWaalsContact O-N 3.16Å; S57-L59 PolarHBondContact O-N 2.95Å; L59-L61 VanDerWaalsContact C-N 3.3Å; L59-L61 PolarHBondContact O-N 3.44Å; L59-N62 WeakPolarHBondContact O-CB 3.44Å; L59-N62 PolarHBondContact O-N 3.29Å; L59-F63 PolarHBondContact O-N 3.34Å; L59-W270 HydrophobicContact CD1-CH2 4.46Å; L59-W270 HydrophobicContact CD1-CZ2 3.72Å |
| 60 | C | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.1 | -38.6 | 172.9 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | N23 A56 S57 F63 N64 N112 | N23-C60 PolarHBondContact O-SG 3.47Å; N23-C60 VanDerWaalsContact O-SG 3.36Å; A56-C60 PolarHBondContact O-N 3.32Å; A56-C60 VanDerWaalsContact O-N 3.14Å; A56-C60 PolarHBondContact O-SG 2.88Å; A56-C60 VanDerWaalsContact O-SG 3.42Å; S57-C60 PolarHBondContact O-N 3.47Å; C60-F63 PolarHBondContact O-N 2.77Å; C60-N64 PolarHBondContact O-N 3.29Å; C60-N64 PolarHBondContact O-ND2 3.12Å; C60-N112 HydrophobicContact CB-CB 4.4Å; C60-N112 WeakPolarHBondContact CB-OD1 3.35Å |
| 61 | L | 97.8 | Very high | 96.7 | Very high | 22 Ų | 22 | 21.7 Ų | 21.7 | 12% | 0.115 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 172.9 | -78.7 | 169.3 | 0 | 0 | 0 | 111.8 | S57 A58 L59 F63 N64 C65 I109 N112 A113 H116 | S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 2.82Å; A58-L61 WeakPolarHBondContact O-CB 3.26Å; A58-L61 PolarHBondContact O-N 2.75Å; L59-L61 VanDerWaalsContact C-N 3.3Å; L59-L61 PolarHBondContact O-N 3.44Å; L61-F63 VanDerWaalsContact C-N 3.33Å; L61-F63 PolarHBondContact O-N 2.82Å; L61-N64 PolarHBondContact O-N 3.12Å; L61-C65 VanDerWaalsContact O-CB 3.28Å; L61-C65 WeakPolarHBondContact O-CB 3.1Å; L61-C65 PolarHBondContact O-N 2.93Å; L61-C65 PolarHBondContact O-SG 3.41Å; L61-I109 HydrophobicContact CD2-CB 4.45Å; L61-I109 HydrophobicContact CD2-CG2 3.92Å; L61-I109 WeakPolarHBondContact CD2-O 3.35Å; L61-N112 HydrophobicContact CD2-CB 3.92Å; L61-N112 HydrophobicContact CG-CB 3.81Å; L61-A113 HydrophobicContact CD2-CB 4.04Å; L61-H116 HydrophobicContact CD1-CB 3.92Å |
| 62 | N | 96.6 | Very high | 96.4 | Very high | 15 Ų | 15 | 23.4 Ų | 23.4 | 8% | 0.08 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.8 | -46 | 177.5 | -74 | -24.9 | 0 | 0 | 0 | 111.7 | A58 L59 C65 M66 A267 W270 | A58-N62 PolarHBondContact O-N 2.83Å; A58-N62 PolarHBondContact O-ND2 3.39Å; L59-N62 WeakPolarHBondContact O-CB 3.44Å; L59-N62 PolarHBondContact O-N 3.29Å; N62-C65 PolarHBondContact O-N 3.49Å; N62-M66 WeakPolarHBondContact O-CB 3.48Å; N62-M66 PolarHBondContact O-N 3.32Å; N62-A267 WeakPolarHBondContact OD1-CB 3.49Å; N62-W270 HydrophobicContact CB-CB 4.13Å; N62-W270 HydrophobicContact CB-CD2 3.98Å; N62-W270 HydrophobicContact CB-CG 3.69Å |
| 63 | F | 97.7 | Very high | 96.1 | Very high | 25 Ų | 25 | 23.4 Ų | 23.4 | 11% | 0.11 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 177 | 174.2 | -114.1 | 0 | 0 | 0 | 112.3 | W19 V22 N23 L26 L59 C60 L61 M66 L67 W270 | W19-F63 AromaticContact CD1-CE1 3.78Å; V22-F63 HydrophobicContact CB-CE1 4.25Å; V22-F63 HydrophobicContact CB-CZ 4.13Å; V22-F63 HydrophobicContact CG1-CD1 4.32Å; V22-F63 HydrophobicContact CG1-CD2 4.45Å; V22-F63 HydrophobicContact CG1-CE1 3.76Å; V22-F63 HydrophobicContact CG1-CE2 3.92Å; V22-F63 HydrophobicContact CG1-CZ 3.53Å; N23-F63 WeakPolarHBondContact ND2-CE1 3.46Å; L26-F63 HydrophobicContact CD1-CB 3.9Å; L26-F63 HydrophobicContact CD1-CD1 4.25Å; L26-F63 HydrophobicContact CD1-CD2 4.31Å; L26-F63 HydrophobicContact CD1-CG 3.9Å; L59-F63 PolarHBondContact O-N 3.34Å; C60-F63 PolarHBondContact O-N 2.77Å; L61-F63 VanDerWaalsContact C-N 3.33Å; L61-F63 PolarHBondContact O-N 2.82Å; F63-M66 HydrophobicContact CD2-CE 3.85Å; F63-M66 HydrophobicContact CE2-CE 3.99Å; F63-M66 WeakPolarHBondContact O-CB 3.31Å; F63-M66 PolarHBondContact O-N 2.84Å; F63-L67 HydrophobicContact CD1-CD1 4.38Å; F63-L67 HydrophobicContact CE1-CD1 3.78Å; F63-L67 HydrophobicContact CE2-CD1 3.93Å; F63-L67 HydrophobicContact CE2-CG 4.37Å; F63-L67 HydrophobicContact CZ-CD1 3.53Å; F63-L67 HydrophobicContact CZ-CG 4.44Å; F63-L67 WeakPolarHBondContact O-CG 3.44Å; F63-L67 PolarHBondContact O-N 3Å; F63-W270 HydrophobicContact CB-CZ3 4.35Å; F63-W270 HydrophobicContact CD2-CZ3 4.23Å |
| 64 | N | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.7 | -36 | -179.6 | -71 | -64.8 | 0 | 0 | 0 | 112.7 | W19 N23 C60 L61 M66 L67 I68 V105 I109 | W19-N64 WeakPolarHBondContact CZ2-OD1 3.45Å; W19-N64 PolarHBondContact NE1-OD1 3.24Å; N23-N64 PolarHBondContact OD1-ND2 3.15Å; C60-N64 PolarHBondContact O-N 3.29Å; C60-N64 PolarHBondContact O-ND2 3.12Å; L61-N64 PolarHBondContact O-N 3.12Å; N64-M66 VanDerWaalsContact C-N 3.28Å; N64-M66 PolarHBondContact O-N 3.27Å; N64-L67 PolarHBondContact O-N 3.27Å; N64-L67 VanDerWaalsContact O-N 3.11Å; N64-I68 PolarHBondContact O-N 2.94Å; N64-V105 HydrophobicContact CB-CG1 3.85Å; N64-V105 VanDerWaalsContact O-CG1 3.31Å; N64-V105 WeakPolarHBondContact O-CG1 3.41Å; N64-I109 HydrophobicContact CB-CD1 4.25Å; N64-I109 HydrophobicContact CB-CG1 3.55Å |
| 65 | C | 96.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.3 | -29.5 | 174.5 | -67 | 0 | 0 | 0 | 0 | 112.1 | L61 N62 L67 I68 F214 L217 I271 | L61-C65 VanDerWaalsContact O-CB 3.28Å; L61-C65 WeakPolarHBondContact O-CB 3.1Å; L61-C65 PolarHBondContact O-N 2.93Å; L61-C65 PolarHBondContact O-SG 3.41Å; N62-C65 PolarHBondContact O-N 3.49Å; C65-L67 VanDerWaalsContact C-N 3.32Å; C65-I68 WeakPolarHBondContact O-CG2 3.36Å; C65-F214 HydrophobicContact CB-CE1 4.29Å; C65-L217 HydrophobicContact CB-CD2 4.03Å; C65-I271 HydrophobicContact CB-CG2 4.18Å |
| 66 | M | 96.3 | Very high | 94.5 | Very high | 51 Ų | 51 | 21.9 Ų | 21.9 | 25% | 0.251 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 169.7 | 178.5 | -171.3 | 74.6 | 0 | 0 | 111.2 | N62 F63 N64 W270 P274 | N62-M66 WeakPolarHBondContact O-CB 3.48Å; N62-M66 PolarHBondContact O-N 3.32Å; F63-M66 HydrophobicContact CD2-CE 3.85Å; F63-M66 HydrophobicContact CE2-CE 3.99Å; F63-M66 WeakPolarHBondContact O-CB 3.31Å; F63-M66 PolarHBondContact O-N 2.84Å; N64-M66 VanDerWaalsContact C-N 3.28Å; N64-M66 PolarHBondContact O-N 3.27Å; M66-W270 HydrophobicContact CB-CB 4.46Å; M66-W270 HydrophobicContact CB-CE3 4.41Å; M66-W270 WeakPolarHBondContact CB-O 3.42Å; M66-W270 HydrophobicContact CE-CE3 4.43Å; M66-W270 HydrophobicContact CE-CZ3 4.42Å; M66-W270 WeakPolarHBondContact CG-O 3.29Å; M66-W270 HydrophobicContact SD-CE3 3.79Å; M66-W270 HydrophobicContact SD-CZ3 4.23Å; M66-P274 HydrophobicContact CB-CG 4.26Å; M66-P274 HydrophobicContact CG-CG 3.6Å; M66-P274 WeakPolarHBondContact O-CB 3.22Å; M66-P274 WeakPolarHBondContact O-CG 3.31Å |
| 67 | L | 96.3 | Very high | 93.9 | Very high | 30 Ų | 30 | 22.9 Ų | 22.9 | 16% | 0.157 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -80.2 | -31.6 | -175.3 | -65.4 | 179.3 | 0 | 0 | 0 | 114.1 | F63 N64 C65 L69 I70 P71 V105 | F63-L67 HydrophobicContact CD1-CD1 4.38Å; F63-L67 HydrophobicContact CE1-CD1 3.78Å; F63-L67 HydrophobicContact CE2-CD1 3.93Å; F63-L67 HydrophobicContact CE2-CG 4.37Å; F63-L67 HydrophobicContact CZ-CD1 3.53Å; F63-L67 HydrophobicContact CZ-CG 4.44Å; F63-L67 WeakPolarHBondContact O-CG 3.44Å; F63-L67 PolarHBondContact O-N 3Å; N64-L67 PolarHBondContact O-N 3.27Å; N64-L67 VanDerWaalsContact O-N 3.11Å; C65-L67 VanDerWaalsContact C-N 3.32Å; L67-L69 VanDerWaalsContact C-N 3.27Å; L67-L69 PolarHBondContact O-N 3.48Å; L67-L69 VanDerWaalsContact O-N 3.11Å; L67-I70 HydrophobicContact CD2-CD1 4.26Å; L67-I70 PolarHBondContact O-N 3.36Å; L67-I70 VanDerWaalsContact O-N 3.09Å; L67-P71 WeakPolarHBondContact O-CD 3.37Å; L67-V105 HydrophobicContact CB-CG1 4.35Å |
| 68 | I | 96.9 | Very high | 93 | Very high | 16 Ų | 16 | 24.6 Ų | 24.6 | 8% | 0.082 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -29.1 | -164.2 | -166.1 | 64.9 | 0 | 0 | 0 | 115.2 | N64 C65 H102 V105 A106 I109 F214 | N64-I68 PolarHBondContact O-N 2.94Å; C65-I68 WeakPolarHBondContact O-CG2 3.36Å; I68-H102 VanDerWaalsContact CD1-ND1 3.34Å; I68-H102 WeakPolarHBondContact CD1-ND1 3.26Å; I68-H102 WeakPolarHBondContact CD1-O 3.13Å; I68-H102 PolarHBondContact O-ND1 3.47Å; I68-V105 HydrophobicContact CB-CG1 4.1Å; I68-V105 HydrophobicContact CD1-CB 3.84Å; I68-V105 HydrophobicContact CD1-CG1 3.78Å; I68-A106 HydrophobicContact CD1-CB 4.08Å; I68-I109 HydrophobicContact CB-CD1 4.07Å; I68-I109 HydrophobicContact CD1-CD1 4.35Å; I68-I109 HydrophobicContact CG1-CD1 4.14Å; I68-I109 HydrophobicContact CG2-CD1 4.39Å; I68-F214 HydrophobicContact CG2-CE2 4.4Å; I68-F214 HydrophobicContact CG2-CZ 3.75Å |
| 69 | L | 94.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -22.2 | -179.4 | -63.7 | 179.7 | 0 | 0 | 0 | 113.5 | L67 I72 S73 F214 P274 V275 Y278 | L67-L69 VanDerWaalsContact C-N 3.27Å; L67-L69 PolarHBondContact O-N 3.48Å; L67-L69 VanDerWaalsContact O-N 3.11Å; L69-I72 HydrophobicContact CD2-CD1 3.99Å; L69-I72 WeakPolarHBondContact O-CG1 3.17Å; L69-I72 PolarHBondContact O-N 3.43Å; L69-S73 PolarHBondContact O-N 3.46Å; L69-S73 PolarHBondContact O-OG 2.83Å; L69-F214 HydrophobicContact CD1-CE1 4.41Å; L69-F214 HydrophobicContact CD1-CE2 4.09Å; L69-F214 HydrophobicContact CD1-CZ 3.9Å; L69-F214 HydrophobicContact CD2-CE2 3.95Å; L69-F214 HydrophobicContact CD2-CZ 4.25Å; L69-F214 HydrophobicContact CG-CE2 4.11Å; L69-F214 HydrophobicContact CG-CZ 3.91Å; L69-P274 HydrophobicContact CB-CB 4.46Å; L69-P274 HydrophobicContact CD1-CB 4.39Å; L69-V275 HydrophobicContact CD1-CG2 3.92Å; L69-Y278 HydrophobicContact CD1-CG 4.45Å; L69-Y278 HydrophobicContact CD2-CG 4.46Å |
| 70 | I | 91.9 | Very high | 91.6 | Very high | 67 Ų | 67 | 31.9 Ų | 31.9 | 34% | 0.344 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -65.1 | -48.4 | -176.2 | -60.5 | 171.4 | 0 | 0 | 0 | 111.2 | L67 I72 S73 L76 | L67-I70 HydrophobicContact CD2-CD1 4.26Å; L67-I70 PolarHBondContact O-N 3.36Å; L67-I70 VanDerWaalsContact O-N 3.09Å; I70-I72 PolarHBondContact O-N 3.41Å; I70-I72 VanDerWaalsContact O-N 3.17Å; I70-S73 PolarHBondContact O-N 2.98Å; I70-L76 HydrophobicContact CG2-CD2 4.31Å |
| 71 | P | 92 | Very high | 90.6 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -70.6 | -13.2 | -176.3 | -16.2 | 29.3 | 0 | 0 | 0 | 114.3 | L67 I77 N98 F101 H102 | L67-P71 WeakPolarHBondContact O-CD 3.37Å; P71-I77 WeakPolarHBondContact O-CD1 3.41Å; P71-N98 HydrophobicContact CB-CB 3.95Å; P71-N98 VanDerWaalsContact CB-O 3.25Å; P71-N98 WeakPolarHBondContact CB-O 3.24Å; P71-N98 WeakPolarHBondContact O-CB 3.42Å; P71-N98 PolarHBondContact O-ND2 2.86Å; P71-F101 HydrophobicContact CG-CD1 3.75Å; P71-F101 HydrophobicContact CG-CE1 4.38Å; P71-H102 HydrophobicContact CB-CB 4.09Å; P71-H102 HydrophobicContact CG-CB 4.42Å |
| 72 | I | 91.4 | Very high | 89.1 | Confident | 36 Ų | 36 | 34.6 Ų | 34.6 | 19% | 0.185 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -97.1 | -5.6 | 177.4 | 62 | 159.3 | 0 | 0 | 0 | 113.2 | L69 I70 R74 L99 H102 Y278 | L69-I72 HydrophobicContact CD2-CD1 3.99Å; L69-I72 WeakPolarHBondContact O-CG1 3.17Å; L69-I72 PolarHBondContact O-N 3.43Å; I70-I72 PolarHBondContact O-N 3.41Å; I70-I72 VanDerWaalsContact O-N 3.17Å; I72-R74 PolarHBondContact O-N 3.07Å; I72-L99 HydrophobicContact CG2-CD2 4.45Å; I72-H102 HydrophobicContact CG2-CB 4.36Å; I72-H102 WeakPolarHBondContact CG2-ND1 3.5Å; I72-Y278 HydrophobicContact CD1-CD2 4.18Å; I72-Y278 HydrophobicContact CD1-CE2 3.52Å; I72-Y278 HydrophobicContact CG1-CD2 4.48Å; I72-Y278 HydrophobicContact CG1-CE2 4.15Å |
| 73 | S | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -80.1 | 83 | 178.4 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | L69 I70 N75 L76 I77 | L69-S73 PolarHBondContact O-N 3.46Å; L69-S73 PolarHBondContact O-OG 2.83Å; I70-S73 PolarHBondContact O-N 2.98Å; S73-N75 PolarHBondContact O-N 2.75Å; S73-L76 WeakPolarHBondContact O-CB 3.41Å; S73-L76 PolarHBondContact O-N 3.01Å; S73-I77 VanDerWaalsContact O-CG1 3.29Å; S73-I77 WeakPolarHBondContact O-CG1 3.24Å; S73-I77 PolarHBondContact O-N 2.9Å | ||
| 74 | R | 85.1 | Confident | 85.7 | Confident | 68 Ų | 68 | 39.2 Ų | 39.2 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.1 | -35.5 | -171.2 | -63.2 | -175.6 | -176.3 | -176.2 | -0.2 | 113.4 | I72 S78 E281 F389 | I72-R74 PolarHBondContact O-N 3.07Å; R74-S78 VanDerWaalsContact O-CB 3.26Å; R74-S78 WeakPolarHBondContact O-CB 3.2Å; R74-S78 PolarHBondContact O-N 2.76Å; R74-S78 PolarHBondContact O-OG 2.81Å; R74-E281 PolarHBondContact N-OE1 3.06Å; R74-F389 HydrophobicContact CB-CD1 3.82Å; R74-F389 HydrophobicContact CB-CE1 3.7Å |
| 75 | N | 85.8 | Confident | 83.4 | Confident | 18 Ų | 18 | 47.1 Ų | 47.1 | 10% | 0.096 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70 | -42 | 175.9 | -59.4 | -55.1 | 0 | 0 | 0 | 110.7 | S73 I77 S78 F79 E281 R288 | S73-N75 PolarHBondContact O-N 2.75Å; N75-I77 VanDerWaalsContact C-N 3.35Å; N75-I77 PolarHBondContact O-N 2.79Å; N75-S78 PolarHBondContact O-N 2.76Å; N75-F79 VanDerWaalsContact O-CB 3.29Å; N75-F79 WeakPolarHBondContact O-CB 3.41Å; N75-F79 PolarHBondContact O-N 3.22Å; N75-E281 WeakPolarHBondContact CA-OE2 3.36Å; N75-E281 WeakPolarHBondContact CB-OE2 3.47Å; N75-E281 PolarHBondContact N-OE1 2.98Å; N75-E281 PolarHBondContact N-OE2 2.92Å; N75-E281 PolarHBondContact ND2-OE1 2.88Å; N75-E281 PolarHBondContact ND2-OE2 3.05Å; N75-R288 PolarHBondContact OD1-NH1 2.92Å; N75-R288 PolarHBondContact OD1-NH2 3.31Å |
| 76 | L | 86.9 | Confident | 81.3 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 23% | 0.225 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57 | -49.2 | 172.6 | 178.4 | 70.5 | 0 | 0 | 0 | 111.1 | I70 S73 S78 F79 I80 L277 E281 | I70-L76 HydrophobicContact CG2-CD2 4.31Å; S73-L76 WeakPolarHBondContact O-CB 3.41Å; S73-L76 PolarHBondContact O-N 3.01Å; L76-S78 VanDerWaalsContact C-N 3.33Å; L76-S78 PolarHBondContact O-N 2.88Å; L76-F79 WeakPolarHBondContact O-CB 3.32Å; L76-F79 PolarHBondContact O-N 3.36Å; L76-I80 HydrophobicContact CD1-CD1 3.99Å; L76-I80 HydrophobicContact CD1-CG1 4.31Å; L76-I80 HydrophobicContact CD2-CD1 4.31Å; L76-I80 HydrophobicContact CG-CD1 3.8Å; L76-I80 HydrophobicContact CG-CG1 4.44Å; L76-I80 VanDerWaalsContact O-CG1 3.3Å; L76-I80 WeakPolarHBondContact O-CG1 3.42Å; L76-I80 PolarHBondContact O-N 3.02Å; L76-L277 HydrophobicContact CB-CD2 4.45Å; L76-L277 HydrophobicContact CD1-CD1 4.46Å; L76-L277 HydrophobicContact CD2-CD1 3.86Å; L76-L277 HydrophobicContact CD2-CD2 3.75Å; L76-L277 HydrophobicContact CD2-CG 4.41Å; L76-E281 PolarHBondContact N-OE2 3.11Å |
| 77 | I | 86.3 | Confident | 78.9 | Confident | 21 Ų | 21 | 49.2 Ų | 49.2 | 11% | 0.108 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | -179.4 | -68 | 168.8 | 0 | 0 | 0 | 111.1 | P71 S73 N75 I80 R81 L95 N98 | P71-I77 WeakPolarHBondContact O-CD1 3.41Å; S73-I77 VanDerWaalsContact O-CG1 3.29Å; S73-I77 WeakPolarHBondContact O-CG1 3.24Å; S73-I77 PolarHBondContact O-N 2.9Å; N75-I77 VanDerWaalsContact C-N 3.35Å; N75-I77 PolarHBondContact O-N 2.79Å; I77-I80 PolarHBondContact O-N 3.48Å; I77-R81 VanDerWaalsContact O-CB 3.24Å; I77-R81 WeakPolarHBondContact O-CB 3.38Å; I77-R81 PolarHBondContact O-N 3.26Å; I77-L95 HydrophobicContact CG2-CB 4.1Å; I77-N98 HydrophobicContact CD1-CB 3.77Å; I77-N98 WeakPolarHBondContact CD1-ND2 3.4Å |
| 78 | S | 79.4 | Confident | 77.1 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66 | -38.4 | 176.9 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | R74 N75 L76 R81 G82 | R74-S78 VanDerWaalsContact O-CB 3.26Å; R74-S78 WeakPolarHBondContact O-CB 3.2Å; R74-S78 PolarHBondContact O-N 2.76Å; R74-S78 PolarHBondContact O-OG 2.81Å; N75-S78 PolarHBondContact O-N 2.76Å; L76-S78 VanDerWaalsContact C-N 3.33Å; L76-S78 PolarHBondContact O-N 2.88Å; S78-R81 PolarHBondContact O-N 3Å; S78-G82 PolarHBondContact O-N 2.94Å; S78-G82 VanDerWaalsContact O-N 3.09Å |
| 79 | F | 82.8 | Confident | 75.7 | Confident | 142 Ų | 142 | 58.7 Ų | 58.7 | 62% | 0.623 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.4 | -52.1 | 174.3 | 176.2 | -100.5 | 0 | 0 | 0 | 111.1 | N75 L76 R81 G82 T83 | N75-F79 VanDerWaalsContact O-CB 3.29Å; N75-F79 WeakPolarHBondContact O-CB 3.41Å; N75-F79 PolarHBondContact O-N 3.22Å; L76-F79 WeakPolarHBondContact O-CB 3.32Å; L76-F79 PolarHBondContact O-N 3.36Å; F79-R81 VanDerWaalsContact C-N 3.26Å; F79-R81 PolarHBondContact O-N 2.93Å; F79-G82 WeakPolarHBondContact O-CA 3.44Å; F79-G82 PolarHBondContact O-N 3.48Å; F79-T83 HydrophobicContact CD1-CG2 4.22Å; F79-T83 HydrophobicContact CE1-CG2 3.81Å; F79-T83 HydrophobicContact CE2-CG2 4.26Å; F79-T83 HydrophobicContact CZ-CG2 3.83Å; F79-T83 WeakPolarHBondContact O-CG2 3.25Å; F79-T83 PolarHBondContact O-N 3.4Å |
| 80 | I | 82.1 | Confident | 74.6 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 32% | 0.318 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.8 | -41.7 | 178 | -66 | 168.9 | 0 | 0 | 0 | 110.5 | L76 I77 G82 T83 L95 | L76-I80 HydrophobicContact CD1-CD1 3.99Å; L76-I80 HydrophobicContact CD1-CG1 4.31Å; L76-I80 HydrophobicContact CD2-CD1 4.31Å; L76-I80 HydrophobicContact CG-CD1 3.8Å; L76-I80 HydrophobicContact CG-CG1 4.44Å; L76-I80 VanDerWaalsContact O-CG1 3.3Å; L76-I80 WeakPolarHBondContact O-CG1 3.42Å; L76-I80 PolarHBondContact O-N 3.02Å; I77-I80 PolarHBondContact O-N 3.48Å; I80-G82 VanDerWaalsContact C-N 3.27Å; I80-G82 PolarHBondContact O-N 3.02Å; I80-T83 PolarHBondContact O-N 3.35Å; I80-T83 PolarHBondContact O-OG1 3.34Å; I80-L95 HydrophobicContact CB-CD1 4.46Å; I80-L95 HydrophobicContact CG2-CD1 3.93Å |
| 81 | R | 76.7 | Confident | 73.8 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 6% | 0.064 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.4 | -36.3 | 175.6 | -177.4 | -176.6 | 177.1 | 127.7 | 13.7 | 112.8 | I77 S78 F79 R92 L95 D96 A391 T394 | I77-R81 VanDerWaalsContact O-CB 3.24Å; I77-R81 WeakPolarHBondContact O-CB 3.38Å; I77-R81 PolarHBondContact O-N 3.26Å; S78-R81 PolarHBondContact O-N 3Å; F79-R81 VanDerWaalsContact C-N 3.26Å; F79-R81 PolarHBondContact O-N 2.93Å; R81-R92 HydrophobicContact CG-CG 4.47Å; R81-R92 PolarHBondContact O-NE 3.05Å; R81-R92 PolarHBondContact O-NH2 3.04Å; R81-L95 HydrophobicContact CB-CD1 4.17Å; R81-D96 IonicContact CZ-OD1 2.92Å; R81-D96 IonicContact NH1-OD1 3.36Å; R81-D96 PolarHBondContact NH1-OD1 3.2Å; R81-D96 IonicContact NH1-OD2 3.14Å; R81-A391 PolarHBondContact NH2-O 3.28Å; R81-T394 PolarHBondContact NH2-OG1 3.14Å |
| 82 | G | 66.8 | Low | 73.1 | Confident | 63 Ų | 63 | 66.7 Ų | 66.7 | 65% | 0.649 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -78.4 | -25.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S78 F79 I80 | S78-G82 PolarHBondContact O-N 2.94Å; S78-G82 VanDerWaalsContact O-N 3.09Å; F79-G82 WeakPolarHBondContact O-CA 3.44Å; F79-G82 PolarHBondContact O-N 3.48Å; I80-G82 VanDerWaalsContact C-N 3.27Å; I80-G82 PolarHBondContact O-N 3.02Å |
| 83 | T | 69.8 | Low | 72.4 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 23% | 0.233 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -72.2 | 142.9 | 178.9 | 61.5 | 0 | 0 | 0 | 0 | 113 | F79 I80 I85 C86 | F79-T83 HydrophobicContact CD1-CG2 4.22Å; F79-T83 HydrophobicContact CE1-CG2 3.81Å; F79-T83 HydrophobicContact CE2-CG2 4.26Å; F79-T83 HydrophobicContact CZ-CG2 3.83Å; F79-T83 WeakPolarHBondContact O-CG2 3.25Å; F79-T83 PolarHBondContact O-N 3.4Å; I80-T83 PolarHBondContact O-N 3.35Å; I80-T83 PolarHBondContact O-OG1 3.34Å; T83-I85 PolarHBondContact O-N 2.83Å; T83-I85 VanDerWaalsContact O-N 3.17Å; T83-C86 PolarHBondContact O-N 3.25Å; T83-C86 VanDerWaalsContact O-N 3.09Å |
| 84 | S | 53.1 | Low | 72 | Confident | 99 Ų | 99 | 67.3 Ų | 67.3 | 69% | 0.692 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -67.7 | -6.8 | 178.3 | 20.7 | 0 | 0 | 0 | 0 | 114.6 | C86 C87 | S84-C86 PolarHBondContact O-N 3.34Å; S84-C87 VanDerWaalsContact CA-SG 3.58Å; S84-C87 WeakPolarHBondContact O-CB 3.39Å; S84-C87 PolarHBondContact O-N 3.19Å; S84-C87 PolarHBondContact O-SG 3.46Å |
| 85 | I | 49.9 | Very low | 71.9 | Confident | 165 Ų | 165 | 65.9 Ų | 65.9 | 85% | 0.846 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -66.3 | -28.6 | 168.7 | -67 | 168.2 | 0 | 0 | 0 | 110.3 | T83 C87 | T83-I85 PolarHBondContact O-N 2.83Å; T83-I85 VanDerWaalsContact O-N 3.17Å; I85-C87 PolarHBondContact O-N 3.49Å |
| 86 | C | 51.8 | Low | 71.5 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 7% | 0.068 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -89 | 29.3 | 175.8 | -140 | 0 | 0 | 0 | 0 | 112.6 | T83 S84 R88 W91 | T83-C86 PolarHBondContact O-N 3.25Å; T83-C86 VanDerWaalsContact O-N 3.09Å; S84-C86 PolarHBondContact O-N 3.34Å; C86-R88 VanDerWaalsContact C-N 3.3Å; C86-R88 PolarHBondContact O-N 2.84Å; C86-W91 VanDerWaalsContact SG-CB 3.51Å |
| 87 | C | 45.7 | Very low | 71.4 | Confident | 87 Ų | 87 | 67.5 Ų | 67.5 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | trans | -73.1 | 79 | 175 | -80.8 | 0 | 0 | 0 | 0 | 111 | S84 I85 | S84-C87 VanDerWaalsContact CA-SG 3.58Å; S84-C87 WeakPolarHBondContact O-CB 3.39Å; S84-C87 PolarHBondContact O-N 3.19Å; S84-C87 PolarHBondContact O-SG 3.46Å; I85-C87 PolarHBondContact O-N 3.49Å | ||
| 88 | R | 58.8 | Low | 71.5 | Confident | 213 Ų | 213 | 68 Ų | 68 | 80% | 0.804 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 164.2 | 141.3 | 144 | -87.5 | 157.9 | -177.7 | -158.4 | 0.8 | 111.1 | C86 P90 W91 | C86-R88 VanDerWaalsContact C-N 3.3Å; C86-R88 PolarHBondContact O-N 2.84Å; R88-P90 VanDerWaalsContact O-CD 3.23Å; R88-P90 WeakPolarHBondContact O-CD 3.49Å; R88-W91 PolarHBondContact O-N 3.06Å |
| 89 | G | 68.9 | Low | 71.9 | Confident | 32 Ų | 32 | 70.5 Ų | 70.5 | 33% | 0.33 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -40.9 | -39.4 | -164.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | W91 R93 | G89-W91 PolarHBondContact O-N 2.86Å; G89-R93 WeakPolarHBondContact O-CG 3.49Å; G89-R93 PolarHBondContact O-N 2.92Å; G89-R93 PolarHBondContact O-NE 2.88Å |
| 90 | P | 70.9 | Confident | 72.3 | Confident | 60 Ų | 60 | 70.6 Ų | 70.6 | 39% | 0.39 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60 | -38.4 | -178.5 | -25.4 | 34.9 | 0 | 0 | 0 | 114.8 | L11 R88 Q94 | L11-P90 HydrophobicContact CD2-CB 4.26Å; R88-P90 VanDerWaalsContact O-CD 3.23Å; R88-P90 WeakPolarHBondContact O-CD 3.49Å; P90-Q94 PolarHBondContact O-N 3.36Å; P90-Q94 VanDerWaalsContact O-N 3.14Å |
| 91 | W | 75.3 | Confident | 72.8 | Confident | 138 Ų | 138 | 70 Ų | 70 | 52% | 0.523 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.2 | -40 | -177.2 | -75.6 | 101.3 | 0 | 0 | 0 | 112.9 | L11 C86 R88 G89 Q94 L95 | L11-W91 HydrophobicContact CD1-CD2 4.46Å; L11-W91 HydrophobicContact CD1-CH2 4Å; L11-W91 HydrophobicContact CD1-CZ2 3.88Å; L11-W91 HydrophobicContact CD1-CZ3 4.33Å; L11-W91 HydrophobicContact CD2-CB 4.44Å; L11-W91 HydrophobicContact CD2-CD2 3.64Å; L11-W91 HydrophobicContact CD2-CE3 3.82Å; L11-W91 HydrophobicContact CD2-CG 3.93Å; L11-W91 HydrophobicContact CD2-CZ3 4.34Å; C86-W91 VanDerWaalsContact SG-CB 3.51Å; R88-W91 PolarHBondContact O-N 3.06Å; G89-W91 PolarHBondContact O-N 2.86Å; W91-Q94 WeakPolarHBondContact O-CB 3.21Å; W91-Q94 PolarHBondContact O-N 3.46Å; W91-Q94 VanDerWaalsContact O-N 3.16Å; W91-L95 PolarHBondContact O-N 3.37Å; W91-L95 VanDerWaalsContact O-N 3.11Å |
| 92 | R | 76.8 | Confident | 73.7 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 20% | 0.2 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 174.4 | -73.7 | -173.8 | 171.9 | -175.7 | 0.7 | 111.9 | R81 Q94 L95 D96 D395 | R81-R92 HydrophobicContact CG-CG 4.47Å; R81-R92 PolarHBondContact O-NE 3.05Å; R81-R92 PolarHBondContact O-NH2 3.04Å; R92-Q94 PolarHBondContact O-N 2.89Å; R92-L95 WeakPolarHBondContact O-CB 3.39Å; R92-L95 PolarHBondContact O-N 2.96Å; R92-D96 PolarHBondContact O-N 3.26Å; R92-D395 IonicContact NH1-OD1 2.65Å; R92-D395 PolarHBondContact NH1-OD1 2.91Å |
| 93 | R | 76.6 | Confident | 75.1 | Confident | 24 Ų | 24 | 73 Ų | 73 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.9 | -29.3 | 176.3 | -65.9 | -177.8 | -61.6 | 160.5 | 0.4 | 112.8 | L7 N8 G89 N564 | L7-R93 PolarHBondContact O-NH2 2.9Å; N8-R93 PolarHBondContact OD1-NH1 3.43Å; G89-R93 WeakPolarHBondContact O-CG 3.49Å; G89-R93 PolarHBondContact O-N 2.92Å; G89-R93 PolarHBondContact O-NE 2.88Å; R93-N564 VanDerWaalsContact CD-OD1 3.25Å; R93-N564 WeakPolarHBondContact CD-OD1 3.4Å |
| 94 | Q | 82.9 | Confident | 76.3 | Confident | 26 Ų | 26 | 73.8 Ų | 73.8 | 12% | 0.121 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.5 | -38.4 | 175.5 | -178.7 | 62.2 | 15.3 | 0 | 0 | 112.2 | L11 S12 L15 P90 W91 R92 D96 K97 | L11-Q94 HydrophobicContact CD2-CB 3.82Å; L11-Q94 HydrophobicContact CD2-CG 4.23Å; L11-Q94 HydrophobicContact CG-CB 4.48Å; L11-Q94 HydrophobicContact CG-CG 4.47Å; S12-Q94 VanDerWaalsContact CA-OE1 3.24Å; S12-Q94 VanDerWaalsContact CB-OE1 3.24Å; S12-Q94 PolarHBondContact OG-OE1 2.8Å; L15-Q94 HydrophobicContact CD1-CG 3.41Å; L15-Q94 VanDerWaalsContact CD1-CG 3.41Å; P90-Q94 PolarHBondContact O-N 3.36Å; P90-Q94 VanDerWaalsContact O-N 3.14Å; W91-Q94 WeakPolarHBondContact O-CB 3.21Å; W91-Q94 PolarHBondContact O-N 3.46Å; W91-Q94 VanDerWaalsContact O-N 3.16Å; R92-Q94 PolarHBondContact O-N 2.89Å; Q94-D96 PolarHBondContact O-N 3.1Å; Q94-K97 WeakPolarHBondContact O-CB 3.34Å; Q94-K97 PolarHBondContact O-N 3.37Å |
| 95 | L | 82.4 | Confident | 78.5 | Confident | 37 Ų | 37 | 69.1 Ų | 69.1 | 19% | 0.194 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.9 | -33.1 | 174.3 | -66.7 | 174.5 | 0 | 0 | 0 | 111.7 | I77 I80 R81 W91 R92 K97 N98 | I77-L95 HydrophobicContact CG2-CB 4.1Å; I80-L95 HydrophobicContact CB-CD1 4.46Å; I80-L95 HydrophobicContact CG2-CD1 3.93Å; R81-L95 HydrophobicContact CB-CD1 4.17Å; W91-L95 PolarHBondContact O-N 3.37Å; W91-L95 VanDerWaalsContact O-N 3.11Å; R92-L95 WeakPolarHBondContact O-CB 3.39Å; R92-L95 PolarHBondContact O-N 2.96Å; L95-K97 PolarHBondContact O-N 3.36Å; L95-N98 WeakPolarHBondContact O-CB 3.41Å; L95-N98 PolarHBondContact O-N 3.12Å; L95-N98 VanDerWaalsContact O-N 3.12Å |
| 96 | D | 78.8 | Confident | 80.7 | Confident | 60 Ų | 60 | 62 Ų | 62 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -14.3 | 174.9 | -60.6 | -29.7 | 0 | 0 | 0 | 113.4 | R81 R92 Q94 | R81-D96 IonicContact CZ-OD1 2.92Å; R81-D96 IonicContact NH1-OD1 3.36Å; R81-D96 PolarHBondContact NH1-OD1 3.2Å; R81-D96 IonicContact NH1-OD2 3.14Å; R92-D96 PolarHBondContact O-N 3.26Å; Q94-D96 PolarHBondContact O-N 3.1Å |
| 97 | K | 83.3 | Confident | 82.9 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 9.7 | 174.6 | -61.8 | 178.4 | -171.2 | 177.1 | 0 | 112.6 | E9 S12 Q94 L95 L99 K100 F101 | E9-K97 IonicContact OE1-NZ 3.17Å; E9-K97 PolarHBondContact OE1-NZ 2.71Å; E9-K97 VanDerWaalsContact OE1-NZ 3.14Å; E9-K97 IonicContact OE2-NZ 3.15Å; E9-K97 PolarHBondContact OE2-NZ 3.03Å; S12-K97 WeakPolarHBondContact OG-CD 3.2Å; S12-K97 PolarHBondContact OG-NZ 3.04Å; Q94-K97 WeakPolarHBondContact O-CB 3.34Å; Q94-K97 PolarHBondContact O-N 3.37Å; L95-K97 PolarHBondContact O-N 3.36Å; K97-L99 VanDerWaalsContact C-N 3.34Å; K97-L99 PolarHBondContact O-N 3.23Å; K97-K100 HydrophobicContact CB-CD 4.47Å; K97-K100 WeakPolarHBondContact O-CB 3.4Å; K97-K100 PolarHBondContact O-N 3.34Å; K97-F101 PolarHBondContact O-N 3.23Å; K97-F101 VanDerWaalsContact O-N 3.11Å |
| 98 | N | 88.2 | Confident | 85.4 | Confident | 32 Ų | 32 | 65 Ų | 65 | 17% | 0.171 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -47.8 | -47.2 | 179.9 | 63.9 | -22.7 | 0 | 0 | 0 | 114.2 | P71 I77 L95 K100 F101 H102 | P71-N98 HydrophobicContact CB-CB 3.95Å; P71-N98 VanDerWaalsContact CB-O 3.25Å; P71-N98 WeakPolarHBondContact CB-O 3.24Å; P71-N98 WeakPolarHBondContact O-CB 3.42Å; P71-N98 PolarHBondContact O-ND2 2.86Å; I77-N98 HydrophobicContact CD1-CB 3.77Å; I77-N98 WeakPolarHBondContact CD1-ND2 3.4Å; L95-N98 WeakPolarHBondContact O-CB 3.41Å; L95-N98 PolarHBondContact O-N 3.12Å; L95-N98 VanDerWaalsContact O-N 3.12Å; N98-K100 VanDerWaalsContact C-N 3.31Å; N98-K100 PolarHBondContact O-N 3.13Å; N98-F101 PolarHBondContact O-N 3.04Å; N98-F101 VanDerWaalsContact O-N 3.16Å; N98-H102 PolarHBondContact O-N 3.27Å |
| 99 | L | 88.9 | Confident | 87.3 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.4 | -30 | -178.9 | -66.9 | 179.5 | 0 | 0 | 0 | 112.5 | I72 K97 K103 | I72-L99 HydrophobicContact CG2-CD2 4.45Å; K97-L99 VanDerWaalsContact C-N 3.34Å; K97-L99 PolarHBondContact O-N 3.23Å; L99-K103 WeakPolarHBondContact O-CG 2.97Å; L99-K103 PolarHBondContact O-N 3.09Å |
| 100 | K | 90.4 | Very high | 88.7 | Confident | 144 Ų | 144 | 54.9 Ų | 54.9 | 63% | 0.626 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.5 | -42.3 | 172.6 | -64.6 | -179 | 179.4 | 176.6 | 0 | 110.3 | K97 N98 K103 L104 | K97-K100 HydrophobicContact CB-CD 4.47Å; K97-K100 WeakPolarHBondContact O-CB 3.4Å; K97-K100 PolarHBondContact O-N 3.34Å; N98-K100 VanDerWaalsContact C-N 3.31Å; N98-K100 PolarHBondContact O-N 3.13Å; K100-K103 PolarHBondContact O-N 3.33Å; K100-L104 PolarHBondContact O-N 3.38Å |
| 101 | F | 93.6 | Very high | 90 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 176.9 | -172.8 | -114.6 | 0 | 0 | 0 | 111.9 | W19 P71 K97 N98 K103 L104 V105 | W19-F101 HydrophobicContact CB-CE2 4.22Å; W19-F101 HydrophobicContact CB-CZ 4.42Å; W19-F101 HydrophobicContact CD2-CE2 4.42Å; W19-F101 HydrophobicContact CG-CE2 4.06Å; W19-F101 HydrophobicContact CG-CZ 4.18Å; P71-F101 HydrophobicContact CG-CD1 3.75Å; P71-F101 HydrophobicContact CG-CE1 4.38Å; K97-F101 PolarHBondContact O-N 3.23Å; K97-F101 VanDerWaalsContact O-N 3.11Å; N98-F101 PolarHBondContact O-N 3.04Å; N98-F101 VanDerWaalsContact O-N 3.16Å; F101-K103 VanDerWaalsContact C-N 3.34Å; F101-K103 PolarHBondContact O-N 3.33Å; F101-L104 HydrophobicContact CD2-CD2 4.4Å; F101-L104 WeakPolarHBondContact O-CB 3.49Å; F101-L104 PolarHBondContact O-N 3.15Å; F101-L104 VanDerWaalsContact O-N 3.12Å; F101-V105 HydrophobicContact CD1-CG2 4.22Å; F101-V105 HydrophobicContact CD2-CG2 4.44Å; F101-V105 HydrophobicContact CE1-CG2 3.84Å; F101-V105 HydrophobicContact CE2-CG2 4.07Å; F101-V105 HydrophobicContact CZ-CG2 3.75Å; F101-V105 WeakPolarHBondContact O-CG2 3.08Å; F101-V105 PolarHBondContact O-N 3.23Å |
| 102 | H | 95.4 | Very high | 91 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 12% | 0.116 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.4 | -48.6 | 172.1 | 175.2 | 83.2 | 0 | 0 | 0 | 112.2 | I68 P71 I72 N98 L104 V105 A106 | I68-H102 VanDerWaalsContact CD1-ND1 3.34Å; I68-H102 WeakPolarHBondContact CD1-ND1 3.26Å; I68-H102 WeakPolarHBondContact CD1-O 3.13Å; I68-H102 PolarHBondContact O-ND1 3.47Å; P71-H102 HydrophobicContact CB-CB 4.09Å; P71-H102 HydrophobicContact CG-CB 4.42Å; I72-H102 HydrophobicContact CG2-CB 4.36Å; I72-H102 WeakPolarHBondContact CG2-ND1 3.5Å; N98-H102 PolarHBondContact O-N 3.27Å; H102-L104 VanDerWaalsContact C-N 3.34Å; H102-L104 PolarHBondContact O-N 2.91Å; H102-V105 PolarHBondContact O-N 3.31Å; H102-A106 WeakPolarHBondContact O-CB 3.07Å; H102-A106 PolarHBondContact O-N 2.86Å |
| 103 | K | 95.5 | Very high | 92.1 | Very high | 119 Ų | 119 | 48.7 Ų | 48.7 | 52% | 0.517 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 177.2 | -69.3 | 175.3 | -177.3 | -171.9 | 0 | 112.4 | L99 K100 F101 A106 Y107 | L99-K103 WeakPolarHBondContact O-CG 2.97Å; L99-K103 PolarHBondContact O-N 3.09Å; K100-K103 PolarHBondContact O-N 3.33Å; F101-K103 VanDerWaalsContact C-N 3.34Å; F101-K103 PolarHBondContact O-N 3.33Å; K103-A106 WeakPolarHBondContact O-CB 3.41Å; K103-A106 PolarHBondContact O-N 3.14Å; K103-Y107 HydrophobicContact CB-CE2 4.47Å; K103-Y107 WeakPolarHBondContact O-CD2 3.3Å; K103-Y107 PolarHBondContact O-N 3.16Å |
| 104 | L | 95.7 | Very high | 93.1 | Very high | 55 Ų | 55 | 51.8 Ų | 51.8 | 29% | 0.288 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 177.1 | -175.6 | 67 | 0 | 0 | 0 | 111.7 | V16 W19 K100 F101 H102 A106 Y107 G108 | V16-L104 HydrophobicContact CB-CD2 4.49Å; V16-L104 HydrophobicContact CG1-CD2 3.96Å; V16-L104 HydrophobicContact CG2-CD2 3.85Å; W19-L104 HydrophobicContact CE3-CD2 3.86Å; W19-L104 HydrophobicContact CE3-CG 4.24Å; W19-L104 HydrophobicContact CH2-CD1 4.37Å; W19-L104 HydrophobicContact CH2-CD2 4.42Å; W19-L104 HydrophobicContact CH2-CG 3.9Å; W19-L104 HydrophobicContact CZ3-CD1 4.09Å; W19-L104 HydrophobicContact CZ3-CD2 3.7Å; W19-L104 HydrophobicContact CZ3-CG 3.64Å; K100-L104 PolarHBondContact O-N 3.38Å; F101-L104 HydrophobicContact CD2-CD2 4.4Å; F101-L104 WeakPolarHBondContact O-CB 3.49Å; F101-L104 PolarHBondContact O-N 3.15Å; F101-L104 VanDerWaalsContact O-N 3.12Å; H102-L104 VanDerWaalsContact C-N 3.34Å; H102-L104 PolarHBondContact O-N 2.91Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 2.72Å; L104-Y107 PolarHBondContact O-N 3.26Å; L104-G108 PolarHBondContact O-N 2.92Å |
| 105 | V | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | N64 L67 I68 F101 H102 Y107 G108 I109 | N64-V105 HydrophobicContact CB-CG1 3.85Å; N64-V105 VanDerWaalsContact O-CG1 3.31Å; N64-V105 WeakPolarHBondContact O-CG1 3.41Å; L67-V105 HydrophobicContact CB-CG1 4.35Å; I68-V105 HydrophobicContact CB-CG1 4.1Å; I68-V105 HydrophobicContact CD1-CB 3.84Å; I68-V105 HydrophobicContact CD1-CG1 3.78Å; F101-V105 HydrophobicContact CD1-CG2 4.22Å; F101-V105 HydrophobicContact CD2-CG2 4.44Å; F101-V105 HydrophobicContact CE1-CG2 3.84Å; F101-V105 HydrophobicContact CE2-CG2 4.07Å; F101-V105 HydrophobicContact CZ-CG2 3.75Å; F101-V105 WeakPolarHBondContact O-CG2 3.08Å; F101-V105 PolarHBondContact O-N 3.23Å; H102-V105 PolarHBondContact O-N 3.31Å; V105-Y107 PolarHBondContact O-N 3.3Å; V105-G108 CarbonylContact O-C 3.57Å; V105-G108 WeakPolarHBondContact O-CA 3.41Å; V105-G108 PolarHBondContact O-N 3.39Å; V105-G108 VanDerWaalsContact O-N 3.08Å; V105-I109 HydrophobicContact CG1-CD1 4.32Å; V105-I109 WeakPolarHBondContact O-CG1 3.41Å; V105-I109 PolarHBondContact O-N 3.28Å |
| 106 | A | 97.8 | Very high | 94.6 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 13% | 0.132 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I68 H102 K103 L104 G108 I109 A110 M188 | I68-A106 HydrophobicContact CD1-CB 4.08Å; H102-A106 WeakPolarHBondContact O-CB 3.07Å; H102-A106 PolarHBondContact O-N 2.86Å; K103-A106 WeakPolarHBondContact O-CB 3.41Å; K103-A106 PolarHBondContact O-N 3.14Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 2.72Å; A106-G108 VanDerWaalsContact C-N 3.35Å; A106-I109 WeakPolarHBondContact O-CB 2.93Å; A106-I109 PolarHBondContact O-N 3.02Å; A106-A110 PolarHBondContact O-N 3.04Å; A106-M188 HydrophobicContact CB-SD 4.18Å |
| 107 | Y | 97.4 | Very high | 95.4 | Very high | 149 Ų | 149 | 52.9 Ų | 52.9 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.3 | -39.3 | 172.2 | -65.3 | -53.4 | 0 | 0 | 0 | 112.1 | K103 L104 V105 I109 A110 V111 M188 | K103-Y107 HydrophobicContact CB-CE2 4.47Å; K103-Y107 WeakPolarHBondContact O-CD2 3.3Å; K103-Y107 PolarHBondContact O-N 3.16Å; L104-Y107 PolarHBondContact O-N 3.26Å; V105-Y107 PolarHBondContact O-N 3.3Å; Y107-I109 VanDerWaalsContact C-N 3.31Å; Y107-I109 PolarHBondContact O-N 3.22Å; Y107-A110 PolarHBondContact O-N 2.75Å; Y107-V111 WeakPolarHBondContact O-CG2 3.27Å; Y107-V111 PolarHBondContact O-N 2.87Å; Y107-M188 HydrophobicContact CD1-CE 3.93Å; Y107-M188 HydrophobicContact CE1-CE 4.07Å |
| 108 | G | 97.8 | Very high | 96 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L104 V105 A106 N112 | L104-G108 PolarHBondContact O-N 2.92Å; V105-G108 CarbonylContact O-C 3.57Å; V105-G108 WeakPolarHBondContact O-CA 3.41Å; V105-G108 PolarHBondContact O-N 3.39Å; V105-G108 VanDerWaalsContact O-N 3.08Å; A106-G108 VanDerWaalsContact C-N 3.35Å; G108-N112 WeakPolarHBondContact O-CB 3.33Å; G108-N112 PolarHBondContact O-N 2.88Å; G108-N112 VanDerWaalsContact O-N 3.1Å; G108-N112 PolarHBondContact O-ND2 3.4Å |
| 109 | I | 98.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 53.4 Ų | 53.4 | 5% | 0.046 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 173.4 | -66.8 | 170 | 0 | 0 | 0 | 110.2 | L61 N64 I68 V105 A106 Y107 V111 N112 A113 L184 F213 | L61-I109 HydrophobicContact CD2-CB 4.45Å; L61-I109 HydrophobicContact CD2-CG2 3.92Å; L61-I109 WeakPolarHBondContact CD2-O 3.35Å; N64-I109 HydrophobicContact CB-CD1 4.25Å; N64-I109 HydrophobicContact CB-CG1 3.55Å; I68-I109 HydrophobicContact CB-CD1 4.07Å; I68-I109 HydrophobicContact CD1-CD1 4.35Å; I68-I109 HydrophobicContact CG1-CD1 4.14Å; I68-I109 HydrophobicContact CG2-CD1 4.39Å; V105-I109 HydrophobicContact CG1-CD1 4.32Å; V105-I109 WeakPolarHBondContact O-CG1 3.41Å; V105-I109 PolarHBondContact O-N 3.28Å; A106-I109 WeakPolarHBondContact O-CB 2.93Å; A106-I109 PolarHBondContact O-N 3.02Å; Y107-I109 VanDerWaalsContact C-N 3.31Å; Y107-I109 PolarHBondContact O-N 3.22Å; I109-V111 PolarHBondContact O-N 3.24Å; I109-N112 PolarHBondContact O-N 3.08Å; I109-A113 WeakPolarHBondContact O-CB 3.4Å; I109-A113 PolarHBondContact O-N 2.8Å; I109-L184 HydrophobicContact CG2-CD1 4.09Å; I109-L184 HydrophobicContact CG2-CD2 4.33Å; I109-F213 HydrophobicContact CG2-CZ 4.5Å |
| 110 | A | 98.1 | Very high | 96.7 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 20% | 0.198 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | A106 Y107 T114 M188 | A106-A110 PolarHBondContact O-N 3.04Å; Y107-A110 PolarHBondContact O-N 2.75Å; A110-T114 PolarHBondContact O-N 3.33Å; A110-T114 PolarHBondContact O-OG1 3.42Å; A110-M188 HydrophobicContact CB-CE 4.28Å |
| 111 | V | 98 | Very high | 96.8 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 53% | 0.527 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.8 | -51.7 | 177.6 | 171 | 0 | 0 | 0 | 0 | 110.9 | Y107 I109 A113 T114 I115 | Y107-V111 WeakPolarHBondContact O-CG2 3.27Å; Y107-V111 PolarHBondContact O-N 2.87Å; I109-V111 PolarHBondContact O-N 3.24Å; V111-A113 VanDerWaalsContact C-N 3.31Å; V111-A113 PolarHBondContact O-N 2.64Å; V111-T114 PolarHBondContact O-N 3.43Å; V111-I115 HydrophobicContact CG1-CD1 4.09Å; V111-I115 WeakPolarHBondContact O-CG1 3.33Å; V111-I115 PolarHBondContact O-N 3.42Å; V111-I115 VanDerWaalsContact O-N 3.08Å |
| 112 | N | 98.4 | Very high | 96.9 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 10% | 0.096 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.3 | -34.2 | -179.7 | -73.9 | -74.7 | 0 | 0 | 0 | 112.2 | C60 L61 G108 I109 T114 I115 H116 | C60-N112 HydrophobicContact CB-CB 4.4Å; C60-N112 WeakPolarHBondContact CB-OD1 3.35Å; L61-N112 HydrophobicContact CD2-CB 3.92Å; L61-N112 HydrophobicContact CG-CB 3.81Å; G108-N112 WeakPolarHBondContact O-CB 3.33Å; G108-N112 PolarHBondContact O-N 2.88Å; G108-N112 VanDerWaalsContact O-N 3.1Å; G108-N112 PolarHBondContact O-ND2 3.4Å; I109-N112 PolarHBondContact O-N 3.08Å; N112-T114 VanDerWaalsContact C-N 3.34Å; N112-I115 PolarHBondContact O-N 2.95Å; N112-H116 WeakPolarHBondContact O-CB 3.27Å; N112-H116 PolarHBondContact O-N 3.5Å |
| 113 | A | 98.3 | Very high | 96.8 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 13% | 0.132 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L61 I109 V111 H116 V117 L184 | L61-A113 HydrophobicContact CD2-CB 4.04Å; I109-A113 WeakPolarHBondContact O-CB 3.4Å; I109-A113 PolarHBondContact O-N 2.8Å; V111-A113 VanDerWaalsContact C-N 3.31Å; V111-A113 PolarHBondContact O-N 2.64Å; A113-H116 PolarHBondContact O-N 3.27Å; A113-V117 WeakPolarHBondContact O-CB 3.42Å; A113-V117 VanDerWaalsContact O-CG2 3.26Å; A113-V117 WeakPolarHBondContact O-CG2 3.5Å; A113-V117 PolarHBondContact O-N 3.19Å; A113-L184 HydrophobicContact CB-CD2 3.59Å |
| 114 | T | 98 | Very high | 96.6 | Very high | 89 Ų | 89 | 48.2 Ų | 48.2 | 55% | 0.546 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 177.1 | -55 | 0 | 0 | 0 | 0 | 110.9 | A110 V111 N112 H116 V117 V118 | A110-T114 PolarHBondContact O-N 3.33Å; A110-T114 PolarHBondContact O-OG1 3.42Å; V111-T114 PolarHBondContact O-N 3.43Å; N112-T114 VanDerWaalsContact C-N 3.34Å; T114-H116 VanDerWaalsContact C-N 3.31Å; T114-H116 PolarHBondContact O-N 3.32Å; T114-V117 PolarHBondContact O-N 3.47Å; T114-V118 HydrophobicContact CG2-CG2 4.48Å; T114-V118 WeakPolarHBondContact O-CB 3.22Å; T114-V118 VanDerWaalsContact O-CG2 3.25Å; T114-V118 WeakPolarHBondContact O-CG2 3.35Å; T114-V118 PolarHBondContact O-N 3.1Å |
| 115 | I | 98.4 | Very high | 96.4 | Very high | 54 Ų | 54 | 48.2 Ų | 48.2 | 28% | 0.277 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 176.6 | -63.9 | 168.4 | 0 | 0 | 0 | 110.5 | W53 V111 N112 A119 | W53-I115 HydrophobicContact CE3-CG2 3.94Å; V111-I115 HydrophobicContact CG1-CD1 4.09Å; V111-I115 WeakPolarHBondContact O-CG1 3.33Å; V111-I115 PolarHBondContact O-N 3.42Å; V111-I115 VanDerWaalsContact O-N 3.08Å; N112-I115 PolarHBondContact O-N 2.95Å; I115-A119 VanDerWaalsContact O-CB 3.27Å; I115-A119 WeakPolarHBondContact O-CB 3.37Å; I115-A119 PolarHBondContact O-N 3.08Å |
| 116 | H | 97.6 | Very high | 96.1 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -49 | -179.2 | -178.2 | 73.3 | 0 | 0 | 0 | 112.6 | A54 S57 L61 N112 A113 T114 A119 H120 H220 | A54-H116 PolarHBondContact O-ND1 3.14Å; S57-H116 VanDerWaalsContact OG-CA 3.32Å; S57-H116 WeakPolarHBondContact OG-CA 3.39Å; S57-H116 WeakPolarHBondContact OG-CB 3.46Å; L61-H116 HydrophobicContact CD1-CB 3.92Å; N112-H116 WeakPolarHBondContact O-CB 3.27Å; N112-H116 PolarHBondContact O-N 3.5Å; A113-H116 PolarHBondContact O-N 3.27Å; T114-H116 VanDerWaalsContact C-N 3.31Å; T114-H116 PolarHBondContact O-N 3.32Å; H116-A119 PolarHBondContact O-N 3.15Å; H116-H120 AromaticContact CD2-CD2 3.78Å; H116-H120 AromaticContact CE1-CD2 3.15Å; H116-H120 PolarHBondContact CE1-CD2 3.3Å; H116-H120 AromaticContact CE1-NE2 3.02Å; H116-H120 PolarHBondContact CE1-NE2 3.44Å; H116-H120 AromaticContact CG-CD2 3.95Å; H116-H120 AromaticContact ND1-CD2 3.57Å; H116-H120 AromaticContact ND1-NE2 3.72Å; H116-H120 AromaticContact NE2-CD2 3.29Å; H116-H120 PolarHBondContact NE2-CD2 2.98Å; H116-H120 VanDerWaalsContact NE2-CD2 3.29Å; H116-H120 AromaticContact NE2-NE2 3.49Å; H116-H120 PolarHBondContact NE2-NE2 2.92Å; H116-H120 WeakPolarHBondContact O-CB 3.16Å; H116-H120 PolarHBondContact O-CD2 2.86Å; H116-H120 PolarHBondContact O-N 3.49Å; H116-H220 AromaticContact NE2-NE2 3.89Å |
| 117 | V | 96.4 | Very high | 95.9 | Very high | 71 Ų | 71 | 52.4 Ų | 52.4 | 43% | 0.43 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 179.3 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | A113 T114 H120 F121 | A113-V117 WeakPolarHBondContact O-CB 3.42Å; A113-V117 VanDerWaalsContact O-CG2 3.26Å; A113-V117 WeakPolarHBondContact O-CG2 3.5Å; A113-V117 PolarHBondContact O-N 3.19Å; T114-V117 PolarHBondContact O-N 3.47Å; V117-H120 PolarHBondContact O-N 2.92Å; V117-F121 PolarHBondContact O-N 3.46Å |
| 118 | V | 96.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 44% | 0.436 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 177.8 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | T114 H120 F121 F122 | T114-V118 HydrophobicContact CG2-CG2 4.48Å; T114-V118 WeakPolarHBondContact O-CB 3.22Å; T114-V118 VanDerWaalsContact O-CG2 3.25Å; T114-V118 WeakPolarHBondContact O-CG2 3.35Å; T114-V118 PolarHBondContact O-N 3.1Å; V118-H120 VanDerWaalsContact C-N 3.33Å; V118-H120 PolarHBondContact O-N 2.97Å; V118-F121 WeakPolarHBondContact O-CB 3.33Å; V118-F121 PolarHBondContact O-N 3.04Å; V118-F122 HydrophobicContact CG1-CD2 3.92Å; V118-F122 HydrophobicContact CG1-CE2 3.6Å; V118-F122 WeakPolarHBondContact O-CD2 3.23Å; V118-F122 PolarHBondContact O-N 3.2Å; V118-F122 VanDerWaalsContact O-N 3.14Å |
| 119 | A | 97.4 | Very high | 95.2 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 5% | 0.05 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W53 A54 I115 H116 F122 N123 | W53-A119 HydrophobicContact CB-CB 3.92Å; A54-A119 HydrophobicContact CB-CB 3.75Å; I115-A119 VanDerWaalsContact O-CB 3.27Å; I115-A119 WeakPolarHBondContact O-CB 3.37Å; I115-A119 PolarHBondContact O-N 3.08Å; H116-A119 PolarHBondContact O-N 3.15Å; A119-F122 PolarHBondContact O-N 2.89Å; A119-N123 WeakPolarHBondContact O-CB 3.4Å; A119-N123 PolarHBondContact O-N 2.91Å; A119-N123 PolarHBondContact O-ND2 3.34Å |
| 120 | H | 94 | Very high | 94.8 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 24% | 0.241 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.6 | -34.5 | 175.2 | -89 | -65.5 | 0 | 0 | 0 | 113.7 | H116 V117 V118 N123 L124 | H116-H120 AromaticContact CD2-CD2 3.78Å; H116-H120 AromaticContact CE1-CD2 3.15Å; H116-H120 PolarHBondContact CE1-CD2 3.3Å; H116-H120 AromaticContact CE1-NE2 3.02Å; H116-H120 PolarHBondContact CE1-NE2 3.44Å; H116-H120 AromaticContact CG-CD2 3.95Å; H116-H120 AromaticContact ND1-CD2 3.57Å; H116-H120 AromaticContact ND1-NE2 3.72Å; H116-H120 AromaticContact NE2-CD2 3.29Å; H116-H120 PolarHBondContact NE2-CD2 2.98Å; H116-H120 VanDerWaalsContact NE2-CD2 3.29Å; H116-H120 AromaticContact NE2-NE2 3.49Å; H116-H120 PolarHBondContact NE2-NE2 2.92Å; H116-H120 WeakPolarHBondContact O-CB 3.16Å; H116-H120 PolarHBondContact O-CD2 2.86Å; H116-H120 PolarHBondContact O-N 3.49Å; V117-H120 PolarHBondContact O-N 2.92Å; V118-H120 VanDerWaalsContact C-N 3.33Å; V118-H120 PolarHBondContact O-N 2.97Å; H120-N123 PolarHBondContact O-N 3.09Å; H120-L124 WeakPolarHBondContact O-CG 3.38Å; H120-L124 PolarHBondContact O-N 3.14Å |
| 121 | F | 92.8 | Very high | 94.4 | Very high | 125 Ų | 125 | 55.7 Ų | 55.7 | 55% | 0.548 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 172.7 | -178 | -96.7 | 0 | 0 | 0 | 111.2 | V117 V118 N123 L124 E125 | V117-F121 PolarHBondContact O-N 3.46Å; V118-F121 WeakPolarHBondContact O-CB 3.33Å; V118-F121 PolarHBondContact O-N 3.04Å; F121-N123 VanDerWaalsContact C-N 3.34Å; F121-N123 PolarHBondContact O-N 2.78Å; F121-L124 PolarHBondContact O-N 2.89Å; F121-E125 PolarHBondContact O-N 3.44Å; F121-E125 VanDerWaalsContact O-N 3.1Å |
| 122 | F | 94.6 | Very high | 94 | Very high | 103 Ų | 103 | 52 Ų | 52 | 45% | 0.452 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.9 | -38.7 | 173.8 | -74.5 | -69.2 | 0 | 0 | 0 | 112.8 | T50 V118 A119 E125 R126 | T50-F122 HydrophobicContact CG2-CB 3.93Å; T50-F122 HydrophobicContact CG2-CG 4.46Å; V118-F122 HydrophobicContact CG1-CD2 3.92Å; V118-F122 HydrophobicContact CG1-CE2 3.6Å; V118-F122 WeakPolarHBondContact O-CD2 3.23Å; V118-F122 PolarHBondContact O-N 3.2Å; V118-F122 VanDerWaalsContact O-N 3.14Å; A119-F122 PolarHBondContact O-N 2.89Å; F122-E125 PolarHBondContact O-N 3.18Å; F122-R126 WeakPolarHBondContact O-CG 3.4Å; F122-R126 PolarHBondContact O-N 3.41Å |
| 123 | N | 94.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 177.8 | -71.8 | -27.8 | 0 | 0 | 0 | 112 | L47 T50 L51 A119 H120 F121 E125 R126 Y127 | L47-N123 HydrophobicContact CD1-CB 4.3Å; L47-N123 HydrophobicContact CD2-CB 3.84Å; L47-N123 WeakPolarHBondContact CD2-O 3.39Å; T50-N123 VanDerWaalsContact C-OD1 3.27Å; T50-N123 VanDerWaalsContact CB-OD1 3.23Å; T50-N123 WeakPolarHBondContact CB-OD1 3.37Å; T50-N123 PolarHBondContact O-ND2 3.44Å; T50-N123 VanDerWaalsContact O-ND2 3.11Å; T50-N123 PolarHBondContact O-OD1 2.97Å; T50-N123 PolarHBondContact OG1-OD1 2.92Å; L51-N123 PolarHBondContact N-OD1 3.45Å; A119-N123 WeakPolarHBondContact O-CB 3.4Å; A119-N123 PolarHBondContact O-N 2.91Å; A119-N123 PolarHBondContact O-ND2 3.34Å; H120-N123 PolarHBondContact O-N 3.09Å; F121-N123 VanDerWaalsContact C-N 3.34Å; F121-N123 PolarHBondContact O-N 2.78Å; N123-E125 VanDerWaalsContact C-N 3.33Å; N123-R126 PolarHBondContact O-N 2.93Å; N123-Y127 WeakPolarHBondContact O-CD2 3.31Å; N123-Y127 PolarHBondContact O-N 2.97Å |
| 124 | L | 91.3 | Very high | 92.8 | Very high | 29 Ų | 29 | 64.7 Ų | 64.7 | 15% | 0.152 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 175.9 | -75.8 | 171.7 | 0 | 0 | 0 | 111.6 | H120 F121 R126 Y127 R128 T164 E167 L168 | H120-L124 WeakPolarHBondContact O-CG 3.38Å; H120-L124 PolarHBondContact O-N 3.14Å; F121-L124 PolarHBondContact O-N 2.89Å; L124-R126 PolarHBondContact O-N 2.88Å; L124-Y127 PolarHBondContact O-N 3.5Å; L124-R128 WeakPolarHBondContact O-CB 3.36Å; L124-R128 PolarHBondContact O-N 2.87Å; L124-T164 HydrophobicContact CB-CG2 4.02Å; L124-E167 HydrophobicContact CD2-CG 4.27Å; L124-L168 HydrophobicContact CD1-CD1 4.06Å |
| 125 | E | 90.8 | Very high | 92.4 | Very high | 56 Ų | 56 | 60.9 Ų | 60.9 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 177.7 | -172.7 | 55.4 | -151.3 | 0 | 0 | 112 | F121 F122 N123 R128 W129 T164 | F121-E125 PolarHBondContact O-N 3.44Å; F121-E125 VanDerWaalsContact O-N 3.1Å; F122-E125 PolarHBondContact O-N 3.18Å; N123-E125 VanDerWaalsContact C-N 3.33Å; E125-R128 WeakPolarHBondContact O-CB 3.39Å; E125-R128 PolarHBondContact O-N 2.65Å; E125-R128 IonicContact OE1-CZ 3.88Å; E125-R128 IonicContact OE1-NE 3.1Å; E125-R128 PolarHBondContact OE1-NE 2.96Å; E125-R128 IonicContact OE1-NH2 2.71Å; E125-R128 PolarHBondContact OE1-NH2 3.31Å; E125-R128 IonicContact OE2-CZ 3.65Å; E125-R128 IonicContact OE2-NE 2.74Å; E125-R128 PolarHBondContact OE2-NE 3.13Å; E125-R128 VanDerWaalsContact OE2-NE 3.17Å; E125-R128 IonicContact OE2-NH2 3.91Å; E125-R128 PolarHBondContact OE2-NH2 3.11Å; E125-W129 WeakPolarHBondContact O-CB 3.17Å; E125-W129 PolarHBondContact O-N 3.38Å; E125-T164 PolarHBondContact OE2-OG1 3.38Å |
| 126 | R | 92.7 | Very high | 91.9 | Very high | 96 Ų | 96 | 66.1 Ų | 66.1 | 36% | 0.362 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 175.9 | -73.4 | -179 | -178.4 | -158.4 | 6 | 112.8 | L47 F122 N123 L124 R128 W129 S130 | L47-R126 HydrophobicContact CD2-CB 4.14Å; L47-R126 WeakPolarHBondContact O-CD 3.45Å; L47-R126 PolarHBondContact O-NH1 2.81Å; F122-R126 WeakPolarHBondContact O-CG 3.4Å; F122-R126 PolarHBondContact O-N 3.41Å; N123-R126 PolarHBondContact O-N 2.93Å; L124-R126 PolarHBondContact O-N 2.88Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 3.1Å; R126-W129 PolarHBondContact O-N 3.06Å; R126-S130 WeakPolarHBondContact O-CB 3.15Å; R126-S130 PolarHBondContact O-N 2.86Å; R126-S130 PolarHBondContact O-OG 2.8Å |
| 127 | Y | 92 | Very high | 91.7 | Very high | 7 Ų | 7 | 66.4 Ų | 66.4 | 3% | 0.027 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 171.8 | -79.9 | -49.5 | 0 | 0 | 0 | 112.2 | I46 L47 N123 L124 S130 Q131 N155 P156 | I46-Y127 HydrophobicContact CD1-CE1 4.43Å; I46-Y127 HydrophobicContact CG2-CD1 3.65Å; I46-Y127 HydrophobicContact CG2-CE1 3.97Å; L47-Y127 HydrophobicContact CD1-CE1 4.36Å; L47-Y127 HydrophobicContact CD1-CE2 3.86Å; L47-Y127 VanDerWaalsContact CD1-OH 3.29Å; L47-Y127 WeakPolarHBondContact CD1-OH 3.4Å; L47-Y127 HydrophobicContact CD2-CD1 4.05Å; L47-Y127 HydrophobicContact CD2-CD2 3.82Å; L47-Y127 HydrophobicContact CD2-CE1 3.86Å; L47-Y127 HydrophobicContact CD2-CE2 3.66Å; L47-Y127 HydrophobicContact CD2-CG 4.01Å; L47-Y127 HydrophobicContact CG-CE1 4.1Å; L47-Y127 HydrophobicContact CG-CE2 4.21Å; N123-Y127 WeakPolarHBondContact O-CD2 3.31Å; N123-Y127 PolarHBondContact O-N 2.97Å; L124-Y127 PolarHBondContact O-N 3.5Å; Y127-S130 PolarHBondContact O-OG 3Å; Y127-S130 VanDerWaalsContact O-OG 3.05Å; Y127-Q131 PolarHBondContact O-N 2.84Å; Y127-N155 WeakPolarHBondContact CB-OD1 3.5Å; Y127-N155 HydrophobicContact CD1-CB 4.17Å; Y127-N155 WeakPolarHBondContact CD1-OD1 3.43Å; Y127-N155 PolarHBondContact O-ND2 3.2Å; Y127-P156 HydrophobicContact CD2-CG 4.08Å; Y127-P156 HydrophobicContact CE2-CG 4.1Å; Y127-P156 HydrophobicContact CG-CG 4.35Å |
| 128 | R | 90.5 | Very high | 91.4 | Very high | 76 Ų | 76 | 64.1 Ų | 64.1 | 29% | 0.287 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.3 | -47 | 177.2 | -175.1 | -179.7 | 74.2 | 158.9 | 3.6 | 111 | L124 E125 R126 S130 Q131 S132 I157 T164 | L124-R128 WeakPolarHBondContact O-CB 3.36Å; L124-R128 PolarHBondContact O-N 2.87Å; E125-R128 WeakPolarHBondContact O-CB 3.39Å; E125-R128 PolarHBondContact O-N 2.65Å; E125-R128 IonicContact OE1-CZ 3.88Å; E125-R128 IonicContact OE1-NE 3.1Å; E125-R128 PolarHBondContact OE1-NE 2.96Å; E125-R128 IonicContact OE1-NH2 2.71Å; E125-R128 PolarHBondContact OE1-NH2 3.31Å; E125-R128 IonicContact OE2-CZ 3.65Å; E125-R128 IonicContact OE2-NE 2.74Å; E125-R128 PolarHBondContact OE2-NE 3.13Å; E125-R128 VanDerWaalsContact OE2-NE 3.17Å; E125-R128 IonicContact OE2-NH2 3.91Å; E125-R128 PolarHBondContact OE2-NH2 3.11Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 3.1Å; R128-S130 VanDerWaalsContact C-N 3.33Å; R128-S130 PolarHBondContact O-N 3.47Å; R128-Q131 PolarHBondContact O-N 2.85Å; R128-S132 PolarHBondContact O-N 2.91Å; R128-I157 HydrophobicContact CB-CD1 4.11Å; R128-T164 PolarHBondContact NH1-OG1 3.48Å |
| 129 | W | 89.9 | Confident | 91.2 | Very high | 153 Ų | 153 | 62.5 Ų | 62.5 | 58% | 0.58 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 178.3 | -175.5 | -92.6 | 0 | 0 | 0 | 111.8 | E125 R126 Q131 S132 | E125-W129 WeakPolarHBondContact O-CB 3.17Å; E125-W129 PolarHBondContact O-N 3.38Å; R126-W129 PolarHBondContact O-N 3.06Å; W129-Q131 PolarHBondContact O-N 2.87Å; W129-S132 WeakPolarHBondContact O-CB 3.4Å; W129-S132 PolarHBondContact O-N 3.17Å; W129-S132 PolarHBondContact O-OG 2.97Å |
| 130 | S | 91.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.1 | -19.6 | -179 | 74.4 | 0 | 0 | 0 | 0 | 113.9 | I46 R126 Y127 R128 A135 S143 N155 | I46-S130 WeakPolarHBondContact CG2-OG 3.46Å; R126-S130 WeakPolarHBondContact O-CB 3.15Å; R126-S130 PolarHBondContact O-N 2.86Å; R126-S130 PolarHBondContact O-OG 2.8Å; Y127-S130 PolarHBondContact O-OG 3Å; Y127-S130 VanDerWaalsContact O-OG 3.05Å; R128-S130 VanDerWaalsContact C-N 3.33Å; R128-S130 PolarHBondContact O-N 3.47Å; S130-A135 WeakPolarHBondContact O-CB 3.36Å; S130-S143 WeakPolarHBondContact CB-OG 3.24Å; S130-S143 VanDerWaalsContact O-CB 3.3Å; S130-S143 WeakPolarHBondContact O-CB 3.48Å; S130-S143 PolarHBondContact O-OG 3.19Å; S130-S143 PolarHBondContact OG-OG 3.44Å; S130-N155 PolarHBondContact OG-ND2 3.29Å |
| 131 | Q | 89.4 | Confident | 90.8 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -5 | 174 | -165 | 62.7 | 0.2 | 0 | 0 | 113.4 | Y127 R128 W129 S143 R158 | Y127-Q131 PolarHBondContact O-N 2.84Å; R128-Q131 PolarHBondContact O-N 2.85Å; W129-Q131 PolarHBondContact O-N 2.87Å; Q131-S143 PolarHBondContact OE1-O 3.16Å; Q131-R158 PolarHBondContact NE2-O 3.24Å |
| 132 | S | 88.8 | Confident | 90.8 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -68 | 165.2 | -179.3 | 74.4 | 0 | 0 | 0 | 0 | 112.6 | R128 W129 E134 A135 | R128-S132 PolarHBondContact O-N 2.91Å; W129-S132 WeakPolarHBondContact O-CB 3.4Å; W129-S132 PolarHBondContact O-N 3.17Å; W129-S132 PolarHBondContact O-OG 2.97Å; S132-E134 VanDerWaalsContact CB-OE2 3.24Å; S132-E134 WeakPolarHBondContact CB-OE2 3.43Å; S132-E134 PolarHBondContact O-N 3.22Å; S132-E134 PolarHBondContact OG-N 3.18Å; S132-E134 PolarHBondContact OG-OE2 3.26Å; S132-A135 PolarHBondContact O-N 3.42Å; S132-A135 PolarHBondContact OG-N 3.46Å |
| 133 | K | 85.5 | Confident | 90.7 | Very high | 180 Ų | 180 | 50.5 Ų | 50.5 | 78% | 0.783 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -23 | 176.6 | -68.5 | -175.9 | 179.9 | -179.9 | 0 | 111.7 | ||
| 134 | E | 87 | Confident | 90.4 | Very high | 120 Ų | 120 | 56.4 Ų | 56.4 | 56% | 0.561 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -20.1 | -179.2 | -61.3 | 71 | -155.9 | 0 | 0 | 112.1 | S132 Q136 | S132-E134 VanDerWaalsContact CB-OE2 3.24Å; S132-E134 WeakPolarHBondContact CB-OE2 3.43Å; S132-E134 PolarHBondContact O-N 3.22Å; S132-E134 PolarHBondContact OG-N 3.18Å; S132-E134 PolarHBondContact OG-OE2 3.26Å; E134-Q136 PolarHBondContact O-N 2.82Å |
| 135 | A | 88.5 | Confident | 90.3 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | trans | -66.2 | 132.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S130 S132 L139 A140 | S130-A135 WeakPolarHBondContact O-CB 3.36Å; S132-A135 PolarHBondContact O-N 3.42Å; S132-A135 PolarHBondContact OG-N 3.46Å; A135-L139 HydrophobicContact CB-CD2 4.27Å; A135-A140 HydrophobicContact CB-CB 4.1Å; A135-A140 WeakPolarHBondContact O-CB 3.36Å | ||
| 136 | Q | 89.3 | Confident | 90 | Very high | 164 Ų | 164 | 53.6 Ų | 53.6 | 77% | 0.766 | 25% | 0.252 | S | S | * | . | trans | -129.9 | 166.4 | -179.2 | -66.1 | -179.3 | 2.5 | 0 | 0 | 111.7 | E134 | E134-Q136 PolarHBondContact O-N 2.82Š| ||
| 137 | G | 91.6 | Very high | 89.3 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | 63.7 | -146.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L139 A140 A141 Y246 | G137-L139 PolarHBondContact O-N 3.22Å; G137-A140 PolarHBondContact O-N 3.39Å; G137-A140 VanDerWaalsContact O-N 3.17Å; G137-A141 PolarHBondContact O-N 2.79Å; G137-Y246 WeakPolarHBondContact CA-OH 3.17Å |
| 138 | L | 91.8 | Very high | 88.7 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55 | -38.1 | -177.7 | 179.1 | 64.8 | 0 | 0 | 0 | 113 | Y42 V45 A140 A141 L142 R243 Y246 W249 | Y42-L138 HydrophobicContact CD1-CD1 4.48Å; Y42-L138 HydrophobicContact CE1-CD1 4.14Å; Y42-L138 HydrophobicContact CE1-CD2 4.38Å; V45-L138 HydrophobicContact CG1-CD2 3.96Å; V45-L138 HydrophobicContact CG1-CG 4.17Å; V45-L138 HydrophobicContact CG2-CD2 4.05Å; L138-A140 VanDerWaalsContact C-N 3.35Å; L138-A140 PolarHBondContact O-N 3.39Å; L138-A141 PolarHBondContact O-N 3.27Å; L138-L142 HydrophobicContact CD1-CD1 4.11Å; L138-L142 HydrophobicContact CD1-CG 4.09Å; L138-L142 HydrophobicContact CG-CD1 3.94Å; L138-L142 HydrophobicContact CG-CG 4.36Å; L138-L142 WeakPolarHBondContact O-CB 3.45Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 2.84Å; L138-R243 HydrophobicContact CD2-CG 3.55Å; L138-Y246 HydrophobicContact CB-CD1 4.21Å; L138-Y246 HydrophobicContact CB-CG 4.42Å; L138-Y246 HydrophobicContact CD1-CG 4.26Å; L138-W249 HydrophobicContact CD1-CH2 3.51Å; L138-W249 HydrophobicContact CD1-CZ2 3.77Å |
| 139 | L | 92.8 | Very high | 87.6 | Confident | 39 Ų | 39 | 60 Ų | 60 | 20% | 0.204 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 179.9 | -175.9 | 74.3 | 0 | 0 | 0 | 111.9 | I46 A135 G137 S143 | I46-L139 HydrophobicContact CB-CD1 4.22Å; I46-L139 HydrophobicContact CG1-CD1 3.93Å; I46-L139 HydrophobicContact CG2-CD1 4.42Å; A135-L139 HydrophobicContact CB-CD2 4.27Å; G137-L139 PolarHBondContact O-N 3.22Å; L139-S143 PolarHBondContact O-N 2.82Å; L139-S143 PolarHBondContact O-OG 3.28Å |
| 140 | A | 91.1 | Very high | 86.9 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.3 | -38.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A135 G137 L138 S143 K144 | A135-A140 HydrophobicContact CB-CB 4.1Å; A135-A140 WeakPolarHBondContact O-CB 3.36Å; G137-A140 PolarHBondContact O-N 3.39Å; G137-A140 VanDerWaalsContact O-N 3.17Å; L138-A140 VanDerWaalsContact C-N 3.35Å; L138-A140 PolarHBondContact O-N 3.39Å; A140-S143 PolarHBondContact O-N 3.5Å; A140-K144 WeakPolarHBondContact O-CB 3.48Å; A140-K144 VanDerWaalsContact O-CG 3.28Å; A140-K144 WeakPolarHBondContact O-CG 3.22Å; A140-K144 PolarHBondContact O-N 2.65Å; A140-K144 VanDerWaalsContact O-N 3.14Å |
| 141 | A | 91.3 | Very high | 86.6 | Confident | 26 Ų | 26 | 64.9 Ų | 64.9 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59 | -49.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | G137 L138 S143 K144 L145 Y246 W249 | G137-A141 PolarHBondContact O-N 2.79Å; L138-A141 PolarHBondContact O-N 3.27Å; A141-S143 VanDerWaalsContact C-N 3.34Å; A141-S143 PolarHBondContact O-N 2.84Å; A141-K144 PolarHBondContact O-N 3.23Å; A141-L145 PolarHBondContact O-N 2.71Å; A141-Y246 HydrophobicContact CB-CD2 3.84Å; A141-W249 HydrophobicContact CB-CZ3 4.4Å |
| 142 | L | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 178.5 | -73.1 | 170 | 0 | 0 | 0 | 113.4 | Y42 V45 I46 L138 L145 L154 W249 F260 | Y42-L142 HydrophobicContact CD1-CD1 3.85Å; Y42-L142 HydrophobicContact CD1-CD2 3.92Å; Y42-L142 HydrophobicContact CD1-CG 4.43Å; Y42-L142 HydrophobicContact CD2-CD2 4.43Å; Y42-L142 HydrophobicContact CG-CD1 4.25Å; Y42-L142 HydrophobicContact CG-CD2 3.81Å; V45-L142 HydrophobicContact CB-CD1 4.04Å; V45-L142 HydrophobicContact CG1-CD1 3.99Å; I46-L142 HydrophobicContact CD1-CB 4.13Å; I46-L142 HydrophobicContact CG1-CD1 4.49Å; L138-L142 HydrophobicContact CD1-CD1 4.11Å; L138-L142 HydrophobicContact CD1-CG 4.09Å; L138-L142 HydrophobicContact CG-CD1 3.94Å; L138-L142 HydrophobicContact CG-CG 4.36Å; L138-L142 WeakPolarHBondContact O-CB 3.45Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 2.84Å; L142-L145 HydrophobicContact CD2-CD1 4.26Å; L142-L154 HydrophobicContact CB-CD2 4.34Å; L142-L154 HydrophobicContact CD1-CD2 4.43Å; L142-L154 HydrophobicContact CD2-CD2 4.15Å; L142-W249 HydrophobicContact CD2-CH2 3.65Å; L142-W249 HydrophobicContact CD2-CZ3 3.99Å; L142-W249 HydrophobicContact CG-CH2 4.15Å; L142-W249 HydrophobicContact CG-CZ3 4.5Å; L142-F260 HydrophobicContact CD2-CZ 4.08Å |
| 143 | S | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73.1 | -30 | -178 | -57.6 | 0 | 0 | 0 | 0 | 112.6 | S130 Q131 L139 A140 A141 N155 R158 | S130-S143 WeakPolarHBondContact CB-OG 3.24Å; S130-S143 VanDerWaalsContact O-CB 3.3Å; S130-S143 WeakPolarHBondContact O-CB 3.48Å; S130-S143 PolarHBondContact O-OG 3.19Å; S130-S143 PolarHBondContact OG-OG 3.44Å; Q131-S143 PolarHBondContact OE1-O 3.16Å; L139-S143 PolarHBondContact O-N 2.82Å; L139-S143 PolarHBondContact O-OG 3.28Å; A140-S143 PolarHBondContact O-N 3.5Å; A141-S143 VanDerWaalsContact C-N 3.34Å; A141-S143 PolarHBondContact O-N 2.84Å; S143-N155 PolarHBondContact OG-ND2 2.8Å; S143-R158 PolarHBondContact O-NH1 3.28Å |
| 144 | K | 88.9 | Confident | 87 | Confident | 129 Ų | 129 | 58.6 Ų | 58.6 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -80.6 | -11.7 | 179.3 | -69.4 | 172.7 | -175 | 176.4 | 0 | 114.5 | A140 A141 N147 | A140-K144 WeakPolarHBondContact O-CB 3.48Å; A140-K144 VanDerWaalsContact O-CG 3.28Å; A140-K144 WeakPolarHBondContact O-CG 3.22Å; A140-K144 PolarHBondContact O-N 2.65Å; A140-K144 VanDerWaalsContact O-N 3.14Å; A141-K144 PolarHBondContact O-N 3.23Å; K144-N147 PolarHBondContact O-ND2 2.93Å |
| 145 | L | 89 | Confident | 87.2 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | trans | -62.6 | 139.8 | 175.4 | -65.8 | 178.6 | 0 | 0 | 0 | 111.5 | A141 L142 R158 W249 V257 P258 F260 | A141-L145 PolarHBondContact O-N 2.71Å; L142-L145 HydrophobicContact CD2-CD1 4.26Å; L145-R158 PolarHBondContact O-NH1 2.62Å; L145-R158 PolarHBondContact O-NH2 2.88Å; L145-W249 HydrophobicContact CD1-CZ3 4.2Å; L145-V257 HydrophobicContact CD1-CG1 4.47Å; L145-V257 HydrophobicContact CD2-CG1 3.65Å; L145-P258 HydrophobicContact CD1-CG 4.16Å; L145-F260 HydrophobicContact CD1-CE2 3.76Å | ||
| 146 | G | 83.6 | Confident | 87.2 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | trans | 92.8 | 32.5 | 171 | 0 | 0 | 0 | 0 | 0 | 115.8 | T148 E151 S152 R158 | G146-T148 VanDerWaalsContact C-N 3.28Å; G146-E151 WeakPolarHBondContact CA-OE2 3.2Å; G146-E151 PolarHBondContact N-OE2 3Å; G146-S152 WeakPolarHBondContact CA-O 3.39Å; G146-R158 PolarHBondContact O-NH2 3.01Å | ||
| 147 | N | 79.3 | Confident | 87.1 | Confident | 115 Ų | 115 | 45.9 Ų | 45.9 | 62% | 0.615 | 26% | 0.257 | S | S | * | . | trans | -80.1 | -10.6 | -178.8 | -75.2 | -25.3 | 0 | 0 | 0 | 113.3 | K144 E151 R158 | K144-N147 PolarHBondContact O-ND2 2.93Å; N147-E151 PolarHBondContact N-OE2 3.25Å; N147-R158 PolarHBondContact OD1-NH2 3.14Å | ||
| 148 | T | 78.7 | Confident | 86.7 | Confident | 67 Ų | 67 | 47.2 Ų | 47.2 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -108.8 | 155.7 | 179.1 | 68 | 0 | 0 | 0 | 0 | 111.5 | G146 N150 E151 | G146-T148 VanDerWaalsContact C-N 3.28Å; T148-N150 PolarHBondContact O-N 2.76Å; T148-E151 PolarHBondContact O-N 2.79Å; T148-E151 WeakPolarHBondContact OG1-CG 3.35Å; T148-E151 PolarHBondContact OG1-OE1 2.77Å |
| 149 | P | 67.4 | Low | 85.8 | Confident | 133 Ų | 133 | 49.9 Ų | 49.9 | 86% | 0.864 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -9.9 | -170.7 | -23.8 | 34 | 0 | 0 | 0 | 117 | ||
| 150 | N | 75.9 | Confident | 84.6 | Confident | 163 Ų | 163 | 53 Ų | 53 | 87% | 0.872 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | 1.2 | -176.6 | -71.4 | -18.7 | 0 | 0 | 0 | 113.7 | T148 | T148-N150 PolarHBondContact O-N 2.76Š|
| 151 | E | 83.6 | Confident | 83.5 | Confident | 94 Ų | 94 | 57.7 Ų | 57.7 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -87.3 | 143.4 | 176.2 | -79.6 | 168.4 | -148.3 | 0 | 0 | 110.8 | G146 N147 T148 | G146-E151 WeakPolarHBondContact CA-OE2 3.2Å; G146-E151 PolarHBondContact N-OE2 3Å; N147-E151 PolarHBondContact N-OE2 3.25Å; T148-E151 PolarHBondContact O-N 2.79Å; T148-E151 WeakPolarHBondContact OG1-CG 3.35Å; T148-E151 PolarHBondContact OG1-OE1 2.77Å |
| 152 | S | 89.6 | Confident | 82.3 | Confident | 19 Ų | 19 | 58.1 Ų | 58.1 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | trans | -70.9 | 150.8 | 168.2 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | G146 Q259 F260 | G146-S152 WeakPolarHBondContact CA-O 3.39Å; S152-Q259 VanDerWaalsContact OG-CA 3.24Å; S152-Q259 WeakPolarHBondContact OG-CA 3.43Å; S152-Q259 PolarHBondContact OG-OE1 3.45Å; S152-F260 WeakPolarHBondContact CB-O 3.49Å; S152-F260 PolarHBondContact OG-N 3.5Å | ||
| 153 | Y | 91.2 | Very high | 81.6 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 28% | 0.275 | 34% | 0.335 | S | S | . | . | trans | -127.3 | 155.1 | 176 | 64.8 | -90.7 | 0 | 0 | 0 | 110.3 | N155 P156 R227 F260 | Y153-N155 WeakPolarHBondContact CD2-O 3.4Å; Y153-P156 HydrophobicContact CE2-CB 4.29Å; Y153-R227 WeakPolarHBondContact O-CD 3.35Å; Y153-R227 PolarHBondContact O-NE 3.26Å; Y153-R227 PolarHBondContact OH-NH1 3.35Å; Y153-F260 WeakPolarHBondContact O-CB 3.36Å | ||
| 154 | L | 92.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -103.7 | -49 | 170.5 | -177.8 | 58.4 | 0 | 0 | 0 | 111.5 | T43 I46 L142 P156 R227 F260 | T43-L154 HydrophobicContact CG2-CD1 4.21Å; T43-L154 WeakPolarHBondContact OG1-CD1 3.36Å; I46-L154 HydrophobicContact CD1-CD2 3.73Å; I46-L154 HydrophobicContact CD1-CG 3.98Å; L142-L154 HydrophobicContact CB-CD2 4.34Å; L142-L154 HydrophobicContact CD1-CD2 4.43Å; L142-L154 HydrophobicContact CD2-CD2 4.15Å; L154-P156 WeakPolarHBondContact O-CD 3.48Å; L154-R227 HydrophobicContact CD1-CB 4.22Å; L154-F260 HydrophobicContact CB-CD1 4.29Å; L154-F260 HydrophobicContact CB-CD2 3.92Å; L154-F260 HydrophobicContact CB-CE1 4.37Å; L154-F260 HydrophobicContact CB-CE2 4.01Å; L154-F260 HydrophobicContact CB-CG 4.07Å; L154-F260 HydrophobicContact CB-CZ 4.23Å; L154-F260 HydrophobicContact CD1-CD1 3.76Å; L154-F260 HydrophobicContact CD1-CE1 4.01Å; L154-F260 HydrophobicContact CD1-CG 4.21Å; L154-F260 HydrophobicContact CD2-CD1 4.48Å; L154-F260 HydrophobicContact CD2-CE1 3.93Å; L154-F260 HydrophobicContact CD2-CZ 3.95Å; L154-F260 HydrophobicContact CG-CD1 4.39Å; L154-F260 HydrophobicContact CG-CE1 4.33Å |
| 155 | N | 92 | Very high | 80.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -81.8 | 117.6 | 177.2 | -169.3 | -12.6 | 0 | 0 | 0 | 110.6 | Y127 S130 S143 Y153 I157 R158 | Y127-N155 WeakPolarHBondContact CB-OD1 3.5Å; Y127-N155 HydrophobicContact CD1-CB 4.17Å; Y127-N155 WeakPolarHBondContact CD1-OD1 3.43Å; Y127-N155 PolarHBondContact O-ND2 3.2Å; S130-N155 PolarHBondContact OG-ND2 3.29Å; S143-N155 PolarHBondContact OG-ND2 2.8Å; Y153-N155 WeakPolarHBondContact CD2-O 3.4Å; N155-I157 PolarHBondContact O-N 2.99Å; N155-I157 WeakPolarHBondContact OD1-CB 3.21Å; N155-I157 PolarHBondContact OD1-N 3.37Å; N155-R158 PolarHBondContact O-NH1 3.18Å; N155-R158 VanDerWaalsContact O-NH1 3.14Å | ||
| 156 | P | 87.9 | Confident | 80.3 | Confident | 17 Ų | 17 | 63.6 Ų | 63.6 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -66.7 | -25.2 | 176.6 | 29.5 | -36.8 | 0 | 0 | 0 | 112.7 | Y127 Y153 L154 R158 I225 | Y127-P156 HydrophobicContact CD2-CG 4.08Å; Y127-P156 HydrophobicContact CE2-CG 4.1Å; Y127-P156 HydrophobicContact CG-CG 4.35Å; Y153-P156 HydrophobicContact CE2-CB 4.29Å; L154-P156 WeakPolarHBondContact O-CD 3.48Å; P156-R158 PolarHBondContact O-N 3.19Å; P156-I225 HydrophobicContact CB-CG2 4.12Å; P156-I225 HydrophobicContact CG-CG2 3.82Å |
| 157 | I | 87.1 | Confident | 80.2 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | trans | -80 | 106.5 | 179.4 | -57 | -177.2 | 0 | 0 | 0 | 108.9 | R128 N155 E167 | R128-I157 HydrophobicContact CB-CD1 4.11Å; N155-I157 PolarHBondContact O-N 2.99Å; N155-I157 WeakPolarHBondContact OD1-CB 3.21Å; N155-I157 PolarHBondContact OD1-N 3.37Å; I157-E167 HydrophobicContact CD1-CG 4.09Å; I157-E167 HydrophobicContact CG1-CG 3.85Å | ||
| 158 | R | 82.4 | Confident | 80.5 | Confident | 56 Ų | 56 | 60.8 Ų | 60.8 | 21% | 0.211 | 33% | 0.334 | C | S | . | . | trans | -91.6 | -30.8 | -172.4 | -55.5 | -50.3 | -56.8 | 167.5 | 2.3 | 114.8 | Q131 S143 L145 G146 N147 N155 P156 | Q131-R158 PolarHBondContact NE2-O 3.24Å; S143-R158 PolarHBondContact O-NH1 3.28Å; L145-R158 PolarHBondContact O-NH1 2.62Å; L145-R158 PolarHBondContact O-NH2 2.88Å; G146-R158 PolarHBondContact O-NH2 3.01Å; N147-R158 PolarHBondContact OD1-NH2 3.14Å; N155-R158 PolarHBondContact O-NH1 3.18Å; N155-R158 VanDerWaalsContact O-NH1 3.14Å; P156-R158 PolarHBondContact O-N 3.19Å | ||
| 159 | T | 73.5 | Confident | 81 | Confident | 79 Ų | 79 | 63 Ų | 63 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -125.6 | 140.6 | -175.3 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | M162 | T159-M162 WeakPolarHBondContact O-CG 3.01Å; T159-M162 WeakPolarHBondContact OG1-CE 3.47Å |
| 160 | F | 68.3 | Low | 81.9 | Confident | 105 Ų | 105 | 65.1 Ų | 65.1 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 139.9 | 168.1 | -171.2 | -93.3 | 0 | 0 | 0 | 108.9 | ||
| 161 | P | 66.4 | Low | 82.6 | Confident | 105 Ų | 105 | 58.5 Ų | 58.5 | 68% | 0.682 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -99.8 | 95.2 | 8.4 | 35.2 | -28.2 | 0 | 0 | 0 | 112.3 | ||
| 162 | M | 66.1 | Low | 83 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 17% | 0.167 | 30% | 0.3 | C | S | . | . | trans | -89.3 | 135.4 | 167.6 | -74.7 | -154 | -143.9 | 0 | 0 | 110.7 | T159 | T159-M162 WeakPolarHBondContact O-CG 3.01Å; T159-M162 WeakPolarHBondContact OG1-CE 3.47Å | ||
| 163 | N | 78.9 | Confident | 83.1 | Confident | 97 Ų | 97 | 58.5 Ų | 58.5 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | trans | -78.3 | 147.5 | 170.8 | -69.1 | -20.6 | 0 | 0 | 0 | 110.3 | T165 T166 E167 | N163-T165 PolarHBondContact O-N 3.48Å; N163-T166 WeakPolarHBondContact O-CB 3.39Å; N163-T166 PolarHBondContact O-N 3.48Å; N163-E167 PolarHBondContact O-N 3.19Å | ||
| 164 | T | 78 | Confident | 83.2 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 14% | 0.135 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.1 | -35.4 | 179.9 | -47 | 0 | 0 | 0 | 0 | 112.2 | L124 E125 R128 E167 L168 | L124-T164 HydrophobicContact CB-CG2 4.02Å; E125-T164 PolarHBondContact OE2-OG1 3.38Å; R128-T164 PolarHBondContact NH1-OG1 3.48Å; T164-E167 PolarHBondContact O-N 3.48Å; T164-L168 WeakPolarHBondContact O-CB 3.33Å; T164-L168 PolarHBondContact O-N 3.45Å; T164-L168 VanDerWaalsContact O-N 3.09Å |
| 165 | T | 82 | Confident | 83.3 | Confident | 92 Ų | 92 | 58.4 Ų | 58.4 | 56% | 0.564 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.2 | -40.2 | 175.7 | 45.5 | 0 | 0 | 0 | 0 | 112.9 | N163 E167 L168 L169 | N163-T165 PolarHBondContact O-N 3.48Å; T165-E167 VanDerWaalsContact C-N 3.33Å; T165-E167 PolarHBondContact O-N 3.42Å; T165-L168 PolarHBondContact O-N 3.49Å; T165-L169 WeakPolarHBondContact O-CG 3.34Å; T165-L169 PolarHBondContact O-N 2.92Å; T165-L169 VanDerWaalsContact O-N 3.14Å |
| 166 | T | 83.3 | Confident | 83.5 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 31% | 0.307 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 177.9 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | N163 L169 R170 | N163-T166 WeakPolarHBondContact O-CB 3.39Å; N163-T166 PolarHBondContact O-N 3.48Å; T166-L169 PolarHBondContact O-N 3.42Å; T166-R170 WeakPolarHBondContact O-CG 3.43Å; T166-R170 PolarHBondContact O-N 2.93Å; T166-R170 VanDerWaalsContact O-N 3.13Å |
| 167 | E | 81.3 | Confident | 83.8 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 7% | 0.07 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 178 | -171.5 | 61.3 | -158.5 | 0 | 0 | 112.1 | L124 I157 N163 T164 T165 L169 R170 T171 | L124-E167 HydrophobicContact CD2-CG 4.27Å; I157-E167 HydrophobicContact CD1-CG 4.09Å; I157-E167 HydrophobicContact CG1-CG 3.85Å; N163-E167 PolarHBondContact O-N 3.19Å; T164-E167 PolarHBondContact O-N 3.48Å; T165-E167 VanDerWaalsContact C-N 3.33Å; T165-E167 PolarHBondContact O-N 3.42Å; E167-L169 PolarHBondContact O-N 3.39Å; E167-R170 PolarHBondContact O-N 2.64Å; E167-T171 HydrophobicContact CG-CG2 4.35Å; E167-T171 WeakPolarHBondContact O-CG2 3.32Å; E167-T171 PolarHBondContact O-N 2.77Å; E167-T171 VanDerWaalsContact O-N 3.15Å; E167-T171 PolarHBondContact O-OG1 2.93Å; E167-T171 VanDerWaalsContact O-OG1 3.1Å; E167-T171 WeakPolarHBondContact OE1-CG2 3.3Å |
| 168 | L | 84.8 | Confident | 84.3 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.5 | -38.2 | 175.4 | -172.7 | 71.1 | 0 | 0 | 0 | 111.9 | L124 T164 T165 G174 V175 L178 | L124-L168 HydrophobicContact CD1-CD1 4.06Å; T164-L168 WeakPolarHBondContact O-CB 3.33Å; T164-L168 PolarHBondContact O-N 3.45Å; T164-L168 VanDerWaalsContact O-N 3.09Å; T165-L168 PolarHBondContact O-N 3.49Å; L168-G174 CarbonylContact O-C 3.52Å; L168-G174 WeakPolarHBondContact O-CA 3.25Å; L168-V175 PolarHBondContact O-N 3.15Å; L168-V175 VanDerWaalsContact O-N 3.15Å; L168-L178 HydrophobicContact CD2-CD1 3.75Å; L168-L178 HydrophobicContact CD2-CD2 3.94Å; L168-L178 HydrophobicContact CD2-CG 3.94Å; L168-L178 HydrophobicContact CG-CD1 4.01Å; L168-L178 HydrophobicContact CG-CG 4.26Å |
| 169 | L | 89.3 | Confident | 85 | Confident | 113 Ų | 113 | 62.2 Ų | 62.2 | 59% | 0.592 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -84.5 | -15 | -178.4 | -66 | 176.1 | 0 | 0 | 0 | 114.3 | T165 T166 E167 V175 L178 | T165-L169 WeakPolarHBondContact O-CG 3.34Å; T165-L169 PolarHBondContact O-N 2.92Å; T165-L169 VanDerWaalsContact O-N 3.14Å; T166-L169 PolarHBondContact O-N 3.42Å; E167-L169 PolarHBondContact O-N 3.39Å; L169-V175 WeakPolarHBondContact O-CG2 3.36Å; L169-L178 HydrophobicContact CD2-CD1 3.77Å |
| 170 | R | 87.3 | Confident | 86.2 | Confident | 177 Ų | 177 | 59.4 Ų | 59.4 | 67% | 0.668 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -91.9 | -29.1 | 177.7 | -77.5 | -178.1 | 174.3 | -171.5 | -2.7 | 113.3 | T166 E167 | T166-R170 WeakPolarHBondContact O-CG 3.43Å; T166-R170 PolarHBondContact O-N 2.93Å; T166-R170 VanDerWaalsContact O-N 3.13Å; E167-R170 PolarHBondContact O-N 2.64Å |
| 171 | T | 89.1 | Confident | 87.5 | Confident | 24 Ų | 24 | 56.2 Ų | 56.2 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -85.2 | 141.7 | -177 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | E167 A173 G174 V175 I225 | E167-T171 HydrophobicContact CG-CG2 4.35Å; E167-T171 WeakPolarHBondContact O-CG2 3.32Å; E167-T171 PolarHBondContact O-N 2.77Å; E167-T171 VanDerWaalsContact O-N 3.15Å; E167-T171 PolarHBondContact O-OG1 2.93Å; E167-T171 VanDerWaalsContact O-OG1 3.1Å; E167-T171 WeakPolarHBondContact OE1-CG2 3.3Å; T171-A173 VanDerWaalsContact C-N 3.26Å; T171-A173 PolarHBondContact O-N 3.28Å; T171-G174 PolarHBondContact O-N 3.46Å; T171-G174 VanDerWaalsContact O-N 3.16Å; T171-G174 PolarHBondContact OG1-N 3.33Å; T171-V175 PolarHBondContact O-N 3.37Å; T171-I225 HydrophobicContact CG2-CD1 3.96Å |
| 172 | I | 91.9 | Very high | 89 | Confident | 92 Ų | 92 | 56.4 Ų | 56.4 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.1 | -46 | 174.8 | -64.4 | 173.6 | 0 | 0 | 0 | 110.1 | G174 T176 | I172-G174 VanDerWaalsContact C-N 3.35Å; I172-G174 PolarHBondContact O-N 3.47Å; I172-T176 HydrophobicContact CG2-CG2 4.23Å; I172-T176 VanDerWaalsContact O-CB 3.32Å; I172-T176 WeakPolarHBondContact O-CB 3.42Å; I172-T176 VanDerWaalsContact O-CG2 3.23Å; I172-T176 WeakPolarHBondContact O-CG2 3.47Å; I172-T176 PolarHBondContact O-N 3.34Å; I172-T176 PolarHBondContact O-OG1 3.43Å |
| 173 | A | 92.1 | Very high | 90.6 | Very high | 22 Ų | 22 | 55 Ų | 55 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.1 | -37.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T171 T176 G177 H220 I225 | T171-A173 VanDerWaalsContact C-N 3.26Å; T171-A173 PolarHBondContact O-N 3.28Å; A173-T176 PolarHBondContact O-OG1 3.33Å; A173-G177 WeakPolarHBondContact O-CA 3.44Å; A173-G177 PolarHBondContact O-N 3.48Å; A173-H220 PolarHBondContact O-CE1 3.44Å; A173-H220 PolarHBondContact O-ND1 2.67Å; A173-H220 VanDerWaalsContact O-ND1 3.16Å; A173-I225 HydrophobicContact CB-CD1 3.49Å; A173-I225 VanDerWaalsContact CB-CD1 3.49Å; A173-I225 HydrophobicContact CB-CG1 4.32Å |
| 174 | G | 92.6 | Very high | 91.5 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.5 | -49.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L168 T171 I172 G177 L178 | L168-G174 CarbonylContact O-C 3.52Å; L168-G174 WeakPolarHBondContact O-CA 3.25Å; T171-G174 PolarHBondContact O-N 3.46Å; T171-G174 VanDerWaalsContact O-N 3.16Å; T171-G174 PolarHBondContact OG1-N 3.33Å; I172-G174 VanDerWaalsContact C-N 3.35Å; I172-G174 PolarHBondContact O-N 3.47Å; G174-G177 PolarHBondContact O-N 2.98Å; G174-L178 WeakPolarHBondContact O-CG 3.28Å; G174-L178 PolarHBondContact O-N 3.25Å |
| 175 | V | 94.7 | Very high | 92.4 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -49.5 | 178.2 | 175.9 | 0 | 0 | 0 | 0 | 111 | L168 L169 T171 G177 L178 V179 | L168-V175 PolarHBondContact O-N 3.15Å; L168-V175 VanDerWaalsContact O-N 3.15Å; L169-V175 WeakPolarHBondContact O-CG2 3.36Å; T171-V175 PolarHBondContact O-N 3.37Å; V175-G177 VanDerWaalsContact C-N 3.31Å; V175-G177 PolarHBondContact O-N 3.43Å; V175-L178 PolarHBondContact O-N 2.89Å; V175-V179 WeakPolarHBondContact O-CG2 3.34Å; V175-V179 PolarHBondContact O-N 2.73Å |
| 176 | T | 96.1 | Very high | 93.1 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 178.9 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | I172 A173 L178 V179 I180 I219 H220 | I172-T176 HydrophobicContact CG2-CG2 4.23Å; I172-T176 VanDerWaalsContact O-CB 3.32Å; I172-T176 WeakPolarHBondContact O-CB 3.42Å; I172-T176 VanDerWaalsContact O-CG2 3.23Å; I172-T176 WeakPolarHBondContact O-CG2 3.47Å; I172-T176 PolarHBondContact O-N 3.34Å; I172-T176 PolarHBondContact O-OG1 3.43Å; A173-T176 PolarHBondContact O-OG1 3.33Å; T176-L178 VanDerWaalsContact C-N 3.34Å; T176-L178 PolarHBondContact O-N 2.89Å; T176-V179 PolarHBondContact O-N 3.38Å; T176-I180 WeakPolarHBondContact O-CB 3.25Å; T176-I180 WeakPolarHBondContact O-CD1 3.46Å; T176-I180 WeakPolarHBondContact O-CG1 3.19Å; T176-I180 PolarHBondContact O-N 3.42Å; T176-I219 HydrophobicContact CG2-CD1 3.71Å; T176-I219 HydrophobicContact CG2-CG1 3.77Å; T176-H220 WeakPolarHBondContact OG1-CA 3.39Å; T176-H220 PolarHBondContact OG1-ND1 3.23Å |
| 177 | G | 95.6 | Very high | 93.8 | Very high | 17 Ų | 17 | 52 Ų | 52 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A173 G174 V175 S181 H220 | A173-G177 WeakPolarHBondContact O-CA 3.44Å; A173-G177 PolarHBondContact O-N 3.48Å; G174-G177 PolarHBondContact O-N 2.98Å; V175-G177 VanDerWaalsContact C-N 3.31Å; V175-G177 PolarHBondContact O-N 3.43Å; G177-S181 VanDerWaalsContact O-CB 3.32Å; G177-S181 WeakPolarHBondContact O-CB 2.91Å; G177-S181 PolarHBondContact O-N 3.07Å; G177-S181 PolarHBondContact O-OG 3.06Å; G177-H220 PolarHBondContact N-ND1 3.36Å |
| 178 | L | 96.1 | Very high | 94.5 | Very high | 79 Ų | 79 | 53.5 Ų | 53.5 | 41% | 0.414 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 173.7 | -75.1 | 174.3 | 0 | 0 | 0 | 112 | L168 L169 G174 V175 T176 I180 S181 L182 | L168-L178 HydrophobicContact CD2-CD1 3.75Å; L168-L178 HydrophobicContact CD2-CD2 3.94Å; L168-L178 HydrophobicContact CD2-CG 3.94Å; L168-L178 HydrophobicContact CG-CD1 4.01Å; L168-L178 HydrophobicContact CG-CG 4.26Å; L169-L178 HydrophobicContact CD2-CD1 3.77Å; G174-L178 WeakPolarHBondContact O-CG 3.28Å; G174-L178 PolarHBondContact O-N 3.25Å; V175-L178 PolarHBondContact O-N 2.89Å; T176-L178 VanDerWaalsContact C-N 3.34Å; T176-L178 PolarHBondContact O-N 2.89Å; L178-I180 PolarHBondContact O-N 2.95Å; L178-S181 PolarHBondContact O-N 3.16Å; L178-L182 WeakPolarHBondContact O-CB 3.31Å; L178-L182 PolarHBondContact O-N 2.62Å |
| 179 | V | 97.8 | Very high | 95 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 34% | 0.339 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 111 | V175 T176 S181 L182 A183 V212 S216 | V175-V179 WeakPolarHBondContact O-CG2 3.34Å; V175-V179 PolarHBondContact O-N 2.73Å; T176-V179 PolarHBondContact O-N 3.38Å; V179-S181 PolarHBondContact O-N 2.89Å; V179-L182 PolarHBondContact O-N 3.49Å; V179-A183 VanDerWaalsContact O-CB 3.29Å; V179-A183 WeakPolarHBondContact O-CB 3.33Å; V179-A183 PolarHBondContact O-N 3.46Å; V179-V212 HydrophobicContact CG1-CG1 3.73Å; V179-S216 WeakPolarHBondContact CG1-OG 3.45Å |
| 180 | I | 97.9 | Very high | 95.3 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 176.4 | -68.4 | 162.9 | 0 | 0 | 0 | 110.8 | T176 L178 A183 L184 F213 S216 L217 H220 | T176-I180 WeakPolarHBondContact O-CB 3.25Å; T176-I180 WeakPolarHBondContact O-CD1 3.46Å; T176-I180 WeakPolarHBondContact O-CG1 3.19Å; T176-I180 PolarHBondContact O-N 3.42Å; L178-I180 PolarHBondContact O-N 2.95Å; I180-A183 PolarHBondContact O-N 2.69Å; I180-L184 WeakPolarHBondContact O-CB 3.34Å; I180-L184 PolarHBondContact O-N 3.05Å; I180-F213 HydrophobicContact CG2-CD2 3.73Å; I180-F213 HydrophobicContact CG2-CE2 3.52Å; I180-F213 HydrophobicContact CG2-CZ 4.37Å; I180-S216 VanDerWaalsContact CG1-CB 3.49Å; I180-L217 HydrophobicContact CD1-CB 4.26Å; I180-L217 HydrophobicContact CD1-CD1 4.42Å; I180-H220 HydrophobicContact CD1-CB 3.81Å |
| 181 | S | 97.4 | Very high | 95.6 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | -179.1 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | G177 L178 V179 L184 V185 | G177-S181 VanDerWaalsContact O-CB 3.32Å; G177-S181 WeakPolarHBondContact O-CB 2.91Å; G177-S181 PolarHBondContact O-N 3.07Å; G177-S181 PolarHBondContact O-OG 3.06Å; L178-S181 PolarHBondContact O-N 3.16Å; V179-S181 PolarHBondContact O-N 2.89Å; S181-L184 PolarHBondContact O-N 2.95Å; S181-V185 WeakPolarHBondContact O-CG2 3.22Å; S181-V185 PolarHBondContact O-N 3.11Å |
| 182 | L | 97.6 | Very high | 95.8 | Very high | 110 Ų | 110 | 44.5 Ų | 44.5 | 58% | 0.576 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.5 | -46.8 | 176.5 | 178.9 | 61.7 | 0 | 0 | 0 | 111.1 | L178 V179 L184 V185 L186 | L178-L182 WeakPolarHBondContact O-CB 3.31Å; L178-L182 PolarHBondContact O-N 2.62Å; V179-L182 PolarHBondContact O-N 3.49Å; L182-L184 VanDerWaalsContact C-N 3.32Å; L182-L184 PolarHBondContact O-N 3.19Å; L182-V185 PolarHBondContact O-N 3.18Å; L182-L186 HydrophobicContact CD1-CD1 4.34Å; L182-L186 HydrophobicContact CD1-CG 4.35Å; L182-L186 HydrophobicContact CG-CD1 4.19Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 3.47Å |
| 183 | A | 98.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.6 | -46.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V179 I180 V185 L186 I187 V209 F213 | V179-A183 VanDerWaalsContact O-CB 3.29Å; V179-A183 WeakPolarHBondContact O-CB 3.33Å; V179-A183 PolarHBondContact O-N 3.46Å; I180-A183 PolarHBondContact O-N 2.69Å; A183-V185 PolarHBondContact O-N 3.11Å; A183-L186 PolarHBondContact O-N 2.98Å; A183-I187 WeakPolarHBondContact O-CB 3.22Å; A183-I187 WeakPolarHBondContact O-CD1 3.46Å; A183-I187 WeakPolarHBondContact O-CG1 3.3Å; A183-I187 PolarHBondContact O-N 3.5Å; A183-V209 HydrophobicContact CB-CG1 3.7Å; A183-F213 HydrophobicContact CB-CB 4.13Å |
| 184 | L | 97.9 | Very high | 95.5 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.8 | -44 | 178.7 | -177.5 | 62.2 | 0 | 0 | 0 | 111.9 | I109 A113 I180 S181 L182 I187 M188 F213 | I109-L184 HydrophobicContact CG2-CD1 4.09Å; I109-L184 HydrophobicContact CG2-CD2 4.33Å; A113-L184 HydrophobicContact CB-CD2 3.59Å; I180-L184 WeakPolarHBondContact O-CB 3.34Å; I180-L184 PolarHBondContact O-N 3.05Å; S181-L184 PolarHBondContact O-N 2.95Å; L182-L184 VanDerWaalsContact C-N 3.32Å; L182-L184 PolarHBondContact O-N 3.19Å; L184-I187 PolarHBondContact O-N 3.16Å; L184-M188 HydrophobicContact CD1-CG 3.86Å; L184-M188 HydrophobicContact CG-CG 4.25Å; L184-M188 WeakPolarHBondContact O-CB 3.48Å; L184-M188 WeakPolarHBondContact O-CG 3.45Å; L184-M188 PolarHBondContact O-N 2.94Å; L184-F213 HydrophobicContact CB-CD2 4.44Å; L184-F213 HydrophobicContact CB-CE2 4.29Å; L184-F213 HydrophobicContact CD1-CE2 4.42Å |
| 185 | V | 97.7 | Very high | 95.3 | Very high | 86 Ų | 86 | 53.6 Ų | 53.6 | 52% | 0.521 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 177.3 | 170 | 0 | 0 | 0 | 0 | 111.1 | S181 L182 A183 I187 M188 T189 | S181-V185 WeakPolarHBondContact O-CG2 3.22Å; S181-V185 PolarHBondContact O-N 3.11Å; L182-V185 PolarHBondContact O-N 3.18Å; A183-V185 PolarHBondContact O-N 3.11Å; V185-I187 PolarHBondContact O-N 3.3Å; V185-M188 PolarHBondContact O-N 3.18Å; V185-T189 HydrophobicContact CG1-CG2 4.18Å; V185-T189 WeakPolarHBondContact O-CB 3.18Å; V185-T189 VanDerWaalsContact O-CG2 3.26Å; V185-T189 WeakPolarHBondContact O-CG2 3.43Å; V185-T189 PolarHBondContact O-N 3.13Å; V185-T189 PolarHBondContact O-OG1 3.18Å |
| 186 | L | 96.9 | Very high | 94.9 | Very high | 72 Ų | 72 | 54.9 Ų | 54.9 | 38% | 0.377 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 178 | -69.4 | 173.4 | 0 | 0 | 0 | 111.7 | L182 A183 T189 S190 | L182-L186 HydrophobicContact CD1-CD1 4.34Å; L182-L186 HydrophobicContact CD1-CG 4.35Å; L182-L186 HydrophobicContact CG-CD1 4.19Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 3.47Å; A183-L186 PolarHBondContact O-N 2.98Å; L186-T189 PolarHBondContact O-OG1 3.43Å; L186-S190 WeakPolarHBondContact O-CB 3.37Å; L186-S190 PolarHBondContact O-N 3.44Å; L186-S190 PolarHBondContact O-OG 3.04Å; L186-S190 VanDerWaalsContact O-OG 3.07Å |
| 187 | I | 97.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 9% | 0.087 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 178.3 | -67.9 | 163.8 | 0 | 0 | 0 | 110.8 | A183 L184 V185 S190 S191 V209 F210 | A183-I187 WeakPolarHBondContact O-CB 3.22Å; A183-I187 WeakPolarHBondContact O-CD1 3.46Å; A183-I187 WeakPolarHBondContact O-CG1 3.3Å; A183-I187 PolarHBondContact O-N 3.5Å; L184-I187 PolarHBondContact O-N 3.16Å; V185-I187 PolarHBondContact O-N 3.3Å; I187-S190 PolarHBondContact O-OG 3.41Å; I187-S191 WeakPolarHBondContact O-CB 3.43Å; I187-S191 PolarHBondContact O-N 2.81Å; I187-S191 PolarHBondContact O-OG 2.73Å; I187-V209 HydrophobicContact CD1-CB 4.45Å; I187-V209 HydrophobicContact CG1-CB 4.3Å; I187-F210 HydrophobicContact CD1-CB 4.19Å |
| 188 | M | 96.5 | Very high | 93.6 | Very high | 46 Ų | 46 | 63.6 Ų | 63.6 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.7 | -41.1 | -174.5 | -71.2 | -59.9 | -66 | 0 | 0 | 112.5 | A106 Y107 A110 L184 V185 S191 | A106-M188 HydrophobicContact CB-SD 4.18Å; Y107-M188 HydrophobicContact CD1-CE 3.93Å; Y107-M188 HydrophobicContact CE1-CE 4.07Å; A110-M188 HydrophobicContact CB-CE 4.28Å; L184-M188 HydrophobicContact CD1-CG 3.86Å; L184-M188 HydrophobicContact CG-CG 4.25Å; L184-M188 WeakPolarHBondContact O-CB 3.48Å; L184-M188 WeakPolarHBondContact O-CG 3.45Å; L184-M188 PolarHBondContact O-N 2.94Å; V185-M188 PolarHBondContact O-N 3.18Å; M188-S191 PolarHBondContact O-N 3.14Å |
| 189 | T | 95.4 | Very high | 93 | Very high | 70 Ų | 70 | 62.2 Ų | 62.2 | 43% | 0.429 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.9 | -49.8 | -180 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | V185 L186 S191 T192 I195 | V185-T189 HydrophobicContact CG1-CG2 4.18Å; V185-T189 WeakPolarHBondContact O-CB 3.18Å; V185-T189 VanDerWaalsContact O-CG2 3.26Å; V185-T189 WeakPolarHBondContact O-CG2 3.43Å; V185-T189 PolarHBondContact O-N 3.13Å; V185-T189 PolarHBondContact O-OG1 3.18Å; L186-T189 PolarHBondContact O-OG1 3.43Å; T189-S191 PolarHBondContact O-N 3.09Å; T189-T192 WeakPolarHBondContact O-CB 3.42Å; T189-T192 VanDerWaalsContact O-CG2 3.28Å; T189-T192 WeakPolarHBondContact O-CG2 3.28Å; T189-T192 PolarHBondContact O-N 3.11Å; T189-T192 PolarHBondContact O-OG1 3.29Å; T189-I195 WeakPolarHBondContact O-CD1 3.34Å |
| 190 | S | 94.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 64.1 Ų | 64.1 | 3% | 0.028 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.7 | -25 | 179.4 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | L186 I187 T192 T206 | L186-S190 WeakPolarHBondContact O-CB 3.37Å; L186-S190 PolarHBondContact O-N 3.44Å; L186-S190 PolarHBondContact O-OG 3.04Å; L186-S190 VanDerWaalsContact O-OG 3.07Å; I187-S190 PolarHBondContact O-OG 3.41Å; S190-T192 VanDerWaalsContact C-N 3.27Å; S190-T192 PolarHBondContact O-N 3.5Å; S190-T206 WeakPolarHBondContact CB-OG1 3.41Å; S190-T206 PolarHBondContact OG-OG1 2.73Å |
| 191 | S | 94.6 | Very high | 91.5 | Very high | 39 Ų | 39 | 65.9 Ų | 65.9 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 0.1 | 179.2 | -59.4 | 0 | 0 | 0 | 0 | 114.4 | I187 M188 T189 H207 | I187-S191 WeakPolarHBondContact O-CB 3.43Å; I187-S191 PolarHBondContact O-N 2.81Å; I187-S191 PolarHBondContact O-OG 2.73Å; M188-S191 PolarHBondContact O-N 3.14Å; T189-S191 PolarHBondContact O-N 3.09Å; S191-H207 PolarHBondContact OG-ND1 2.73Å |
| 192 | T | 93.3 | Very high | 91.1 | Very high | 63 Ų | 63 | 68.3 Ų | 68.3 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -64.3 | 150.1 | 174.9 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | T189 S190 F194 I195 R196 | T189-T192 WeakPolarHBondContact O-CB 3.42Å; T189-T192 VanDerWaalsContact O-CG2 3.28Å; T189-T192 WeakPolarHBondContact O-CG2 3.28Å; T189-T192 PolarHBondContact O-N 3.11Å; T189-T192 PolarHBondContact O-OG1 3.29Å; S190-T192 VanDerWaalsContact C-N 3.27Å; S190-T192 PolarHBondContact O-N 3.5Å; T192-F194 PolarHBondContact O-N 2.79Å; T192-I195 PolarHBondContact O-N 2.93Å; T192-R196 WeakPolarHBondContact O-CB 3.49Å; T192-R196 PolarHBondContact O-N 3.09Å |
| 193 | E | 88.3 | Confident | 90.7 | Very high | 98 Ų | 98 | 64.6 Ų | 64.6 | 46% | 0.458 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.1 | -35 | -177.8 | -175.9 | 164.9 | -163.6 | 0 | 0 | 112 | Q197 K538 | E193-Q197 HydrophobicContact CG-CG 4.4Å; E193-Q197 WeakPolarHBondContact O-CB 3.31Å; E193-Q197 WeakPolarHBondContact O-CG 3.4Å; E193-Q197 PolarHBondContact O-N 3.45Å; E193-Q197 VanDerWaalsContact O-N 3.13Å; E193-Q197 PolarHBondContact OE1-NE2 3.23Å; E193-Q197 VanDerWaalsContact OE1-NE2 3.14Å; E193-K538 IonicContact OE1-NZ 3.32Å; E193-K538 PolarHBondContact OE1-NZ 2.84Å; E193-K538 IonicContact OE2-NZ 3.98Å |
| 194 | F | 89.3 | Confident | 90.1 | Very high | 167 Ų | 167 | 67.6 Ų | 67.6 | 73% | 0.732 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.5 | -55.4 | 177.2 | -179 | -100.8 | 0 | 0 | 0 | 112.1 | T192 Q197 A198 | T192-F194 PolarHBondContact O-N 2.79Å; F194-Q197 PolarHBondContact O-N 3.33Å; F194-A198 PolarHBondContact O-N 2.81Å; F194-A198 VanDerWaalsContact O-N 3.12Å |
| 195 | I | 88.6 | Confident | 89.8 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | -177.9 | -68.9 | 172.7 | 0 | 0 | 0 | 110.9 | T189 T192 Q197 A198 S199 L202 | T189-I195 WeakPolarHBondContact O-CD1 3.34Å; T192-I195 PolarHBondContact O-N 2.93Å; I195-Q197 PolarHBondContact O-N 3.05Å; I195-A198 PolarHBondContact O-N 3.24Å; I195-S199 PolarHBondContact O-N 3.34Å; I195-L202 HydrophobicContact CG2-CD2 4.05Å |
| 196 | R | 86 | Confident | 89.6 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.2 | -28 | -179.5 | -169.9 | -169.1 | 63.2 | 75.9 | 9.8 | 113.2 | T192 Y200 F203 | T192-R196 WeakPolarHBondContact O-CB 3.49Å; T192-R196 PolarHBondContact O-N 3.09Å; R196-Y200 HydrophobicContact CG-CD2 4.1Å; R196-F203 HydrophobicContact CB-CB 4.34Å; R196-F203 HydrophobicContact CB-CG 4.39Å; R196-F203 HydrophobicContact CG-CB 4.17Å; R196-F203 HydrophobicContact CG-CD1 3.91Å; R196-F203 HydrophobicContact CG-CD2 4.37Å; R196-F203 HydrophobicContact CG-CE1 4.44Å; R196-F203 HydrophobicContact CG-CG 3.86Å |
| 197 | Q | 79.3 | Confident | 89.5 | Confident | 130 Ų | 130 | 65.3 Ų | 65.3 | 61% | 0.607 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -79.7 | -30.7 | 173.8 | -76.8 | 175.9 | -3.2 | 0 | 0 | 112.5 | E193 F194 I195 | E193-Q197 HydrophobicContact CG-CG 4.4Å; E193-Q197 WeakPolarHBondContact O-CB 3.31Å; E193-Q197 WeakPolarHBondContact O-CG 3.4Å; E193-Q197 PolarHBondContact O-N 3.45Å; E193-Q197 VanDerWaalsContact O-N 3.13Å; E193-Q197 PolarHBondContact OE1-NE2 3.23Å; E193-Q197 VanDerWaalsContact OE1-NE2 3.14Å; F194-Q197 PolarHBondContact O-N 3.33Å; I195-Q197 PolarHBondContact O-N 3.05Å |
| 198 | A | 83.9 | Confident | 89.3 | Confident | 80 Ų | 80 | 66.8 Ų | 66.8 | 66% | 0.661 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -81.2 | -40.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F194 I195 | F194-A198 PolarHBondContact O-N 2.81Å; F194-A198 VanDerWaalsContact O-N 3.12Å; I195-A198 PolarHBondContact O-N 3.24Å |
| 199 | S | 83.6 | Confident | 89.3 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | trans | -147.1 | 103.7 | 178.2 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | I195 L202 F203 | I195-S199 PolarHBondContact O-N 3.34Å; S199-L202 WeakPolarHBondContact OG-CB 3.41Å; S199-L202 PolarHBondContact OG-N 3.13Å; S199-F203 PolarHBondContact O-N 2.62Å | ||
| 200 | Y | 80.7 | Confident | 89.4 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 177 | -172.9 | -95.7 | 0 | 0 | 0 | 112 | R196 L202 F203 W204 | R196-Y200 HydrophobicContact CG-CD2 4.1Å; Y200-L202 PolarHBondContact O-N 3.32Å; Y200-F203 AromaticContact CD2-CD1 3.9Å; Y200-F203 HydrophobicContact CD2-CD1 3.9Å; Y200-F203 HydrophobicContact CD2-CE1 4.39Å; Y200-F203 AromaticContact CE2-CD1 3.71Å; Y200-F203 HydrophobicContact CE2-CD1 3.71Å; Y200-F203 AromaticContact CE2-CE1 3.74Å; Y200-F203 HydrophobicContact CE2-CE1 3.74Å; Y200-F203 HydrophobicContact CG-CD1 4.47Å; Y200-F203 AromaticContact CZ-CE1 3.99Å; Y200-F203 WeakPolarHBondContact O-CB 3.33Å; Y200-F203 PolarHBondContact O-N 2.95Å; Y200-W204 HydrophobicContact CE1-CB 4.32Å; Y200-W204 PolarHBondContact O-N 3.12Å |
| 201 | E | 84 | Confident | 89.4 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 178.3 | -69.6 | -50.6 | 100.6 | 0 | 0 | 112.6 | F203 W204 C205 E334 | E201-F203 VanDerWaalsContact C-N 3.31Å; E201-F203 PolarHBondContact O-N 3.38Å; E201-W204 PolarHBondContact O-N 3.4Å; E201-C205 WeakPolarHBondContact O-CB 3.43Å; E201-C205 PolarHBondContact O-N 3.21Å; E201-C205 PolarHBondContact O-SG 3.41Å; E201-E334 VanDerWaalsContact OE1-CD 3.28Å; E201-E334 WeakPolarHBondContact OE1-CG 3.24Å |
| 202 | L | 88.3 | Confident | 89.5 | Confident | 88 Ų | 88 | 70.2 Ų | 70.2 | 46% | 0.461 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 176.5 | 178.5 | 62.5 | 0 | 0 | 0 | 111.3 | I195 S199 Y200 T206 | I195-L202 HydrophobicContact CG2-CD2 4.05Å; S199-L202 WeakPolarHBondContact OG-CB 3.41Å; S199-L202 PolarHBondContact OG-N 3.13Å; Y200-L202 PolarHBondContact O-N 3.32Å; L202-T206 HydrophobicContact CD1-CG2 3.87Å; L202-T206 WeakPolarHBondContact O-CB 3.37Å; L202-T206 WeakPolarHBondContact O-CG2 3.29Å; L202-T206 PolarHBondContact O-N 2.9Å; L202-T206 VanDerWaalsContact O-N 3.1Å; L202-T206 PolarHBondContact O-OG1 3.49Å |
| 203 | F | 89.8 | Confident | 89.7 | Confident | 33 Ų | 33 | 68 Ų | 68 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.5 | -52.7 | 173.1 | 154.1 | -102.8 | 0 | 0 | 0 | 110.4 | R196 S199 Y200 E201 C205 T206 H207 | R196-F203 HydrophobicContact CB-CB 4.34Å; R196-F203 HydrophobicContact CB-CG 4.39Å; R196-F203 HydrophobicContact CG-CB 4.17Å; R196-F203 HydrophobicContact CG-CD1 3.91Å; R196-F203 HydrophobicContact CG-CD2 4.37Å; R196-F203 HydrophobicContact CG-CE1 4.44Å; R196-F203 HydrophobicContact CG-CG 3.86Å; S199-F203 PolarHBondContact O-N 2.62Å; Y200-F203 AromaticContact CD2-CD1 3.9Å; Y200-F203 HydrophobicContact CD2-CD1 3.9Å; Y200-F203 HydrophobicContact CD2-CE1 4.39Å; Y200-F203 AromaticContact CE2-CD1 3.71Å; Y200-F203 HydrophobicContact CE2-CD1 3.71Å; Y200-F203 AromaticContact CE2-CE1 3.74Å; Y200-F203 HydrophobicContact CE2-CE1 3.74Å; Y200-F203 HydrophobicContact CG-CD1 4.47Å; Y200-F203 AromaticContact CZ-CE1 3.99Å; Y200-F203 WeakPolarHBondContact O-CB 3.33Å; Y200-F203 PolarHBondContact O-N 2.95Å; E201-F203 VanDerWaalsContact C-N 3.31Å; E201-F203 PolarHBondContact O-N 3.38Å; F203-C205 PolarHBondContact O-N 3.11Å; F203-T206 PolarHBondContact O-OG1 3.14Å; F203-H207 HydrophobicContact CD2-CB 4.47Å; F203-H207 HydrophobicContact CE2-CB 4.2Å; F203-H207 AromaticContact CE2-ND1 3.76Å; F203-H207 WeakPolarHBondContact O-CB 3.48Å; F203-H207 PolarHBondContact O-N 3.15Å |
| 204 | W | 86.4 | Confident | 90.1 | Very high | 67 Ų | 67 | 64.2 Ų | 64.2 | 25% | 0.254 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -48.7 | -174.5 | -172.2 | 98.9 | 0 | 0 | 0 | 111.7 | Y200 E201 H207 H208 L333 | Y200-W204 HydrophobicContact CE1-CB 4.32Å; Y200-W204 PolarHBondContact O-N 3.12Å; E201-W204 PolarHBondContact O-N 3.4Å; W204-H207 PolarHBondContact O-N 3.1Å; W204-H208 AromaticContact CD2-CE1 3.54Å; W204-H208 AromaticContact CD2-ND1 3.7Å; W204-H208 AromaticContact CE2-CE1 3.2Å; W204-H208 AromaticContact CE2-ND1 3.85Å; W204-H208 AromaticContact CE3-CE1 3.95Å; W204-H208 AromaticContact CE3-ND1 3.76Å; W204-H208 AromaticContact CH2-CE1 3.72Å; W204-H208 AromaticContact CZ2-CE1 3.31Å; W204-H208 WeakPolarHBondContact CZ2-CE1 3.38Å; W204-H208 AromaticContact CZ2-NE2 3.81Å; W204-H208 AromaticContact CZ3-ND1 3.93Å; W204-H208 AromaticContact NE1-CE1 3.66Å; W204-H208 PolarHBondContact O-N 3.23Å; W204-H208 PolarHBondContact O-ND1 3.43Å; W204-L333 HydrophobicContact CH2-CB 4.35Å; W204-L333 HydrophobicContact CH2-CD2 4.17Å; W204-L333 HydrophobicContact CZ3-CB 4.38Å; W204-L333 HydrophobicContact CZ3-CD1 4.23Å; W204-L333 HydrophobicContact CZ3-CD2 4.49Å |
| 205 | C | 90.2 | Very high | 90.4 | Very high | 62 Ų | 62 | 61.8 Ų | 61.8 | 42% | 0.419 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -50 | -179.7 | -76.5 | 0 | 0 | 0 | 0 | 112.1 | E201 F203 H207 H208 | E201-C205 WeakPolarHBondContact O-CB 3.43Å; E201-C205 PolarHBondContact O-N 3.21Å; E201-C205 PolarHBondContact O-SG 3.41Å; F203-C205 PolarHBondContact O-N 3.11Å; C205-H207 VanDerWaalsContact C-N 3.33Å; C205-H207 PolarHBondContact O-N 3.18Å; C205-H208 PolarHBondContact O-N 2.92Å |
| 206 | T | 94.2 | Very high | 90.8 | Very high | 26 Ų | 26 | 60.3 Ų | 60.3 | 16% | 0.16 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.6 | -28.1 | -178.2 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | S190 L202 F203 H208 V209 | S190-T206 WeakPolarHBondContact CB-OG1 3.41Å; S190-T206 PolarHBondContact OG-OG1 2.73Å; L202-T206 HydrophobicContact CD1-CG2 3.87Å; L202-T206 WeakPolarHBondContact O-CB 3.37Å; L202-T206 WeakPolarHBondContact O-CG2 3.29Å; L202-T206 PolarHBondContact O-N 2.9Å; L202-T206 VanDerWaalsContact O-N 3.1Å; L202-T206 PolarHBondContact O-OG1 3.49Å; F203-T206 PolarHBondContact O-OG1 3.14Å; T206-H208 VanDerWaalsContact C-N 3.27Å; T206-H208 PolarHBondContact O-N 3.07Å; T206-V209 WeakPolarHBondContact O-CB 3.44Å; T206-V209 WeakPolarHBondContact O-CG2 3.48Å; T206-V209 PolarHBondContact O-N 2.99Å; T206-V209 VanDerWaalsContact O-N 3.15Å |
| 207 | H | 95 | Very high | 91.2 | Very high | 45 Ų | 45 | 57 Ų | 57 | 21% | 0.208 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -32.9 | 174.6 | -155.1 | 83.2 | 0 | 0 | 0 | 111.5 | S191 F203 W204 C205 V209 F210 | S191-H207 PolarHBondContact OG-ND1 2.73Å; F203-H207 HydrophobicContact CD2-CB 4.47Å; F203-H207 HydrophobicContact CE2-CB 4.2Å; F203-H207 AromaticContact CE2-ND1 3.76Å; F203-H207 WeakPolarHBondContact O-CB 3.48Å; F203-H207 PolarHBondContact O-N 3.15Å; W204-H207 PolarHBondContact O-N 3.1Å; C205-H207 VanDerWaalsContact C-N 3.33Å; C205-H207 PolarHBondContact O-N 3.18Å; H207-V209 PolarHBondContact O-N 3.02Å; H207-V209 VanDerWaalsContact O-N 3.16Å; H207-F210 WeakPolarHBondContact O-CB 3.1Å; H207-F210 WeakPolarHBondContact O-CD1 3.33Å; H207-F210 PolarHBondContact O-N 3.09Å; H207-F210 VanDerWaalsContact O-N 3.09Å |
| 208 | H | 93.9 | Very high | 92 | Very high | 48 Ų | 48 | 52.1 Ų | 52.1 | 22% | 0.222 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -12.5 | 175.6 | -76.6 | 82 | 0 | 0 | 0 | 114.6 | W204 C205 T206 F210 I211 | W204-H208 AromaticContact CD2-CE1 3.54Å; W204-H208 AromaticContact CD2-ND1 3.7Å; W204-H208 AromaticContact CE2-CE1 3.2Å; W204-H208 AromaticContact CE2-ND1 3.85Å; W204-H208 AromaticContact CE3-CE1 3.95Å; W204-H208 AromaticContact CE3-ND1 3.76Å; W204-H208 AromaticContact CH2-CE1 3.72Å; W204-H208 AromaticContact CZ2-CE1 3.31Å; W204-H208 WeakPolarHBondContact CZ2-CE1 3.38Å; W204-H208 AromaticContact CZ2-NE2 3.81Å; W204-H208 AromaticContact CZ3-ND1 3.93Å; W204-H208 AromaticContact NE1-CE1 3.66Å; W204-H208 PolarHBondContact O-N 3.23Å; W204-H208 PolarHBondContact O-ND1 3.43Å; C205-H208 PolarHBondContact O-N 2.92Å; T206-H208 VanDerWaalsContact C-N 3.27Å; T206-H208 PolarHBondContact O-N 3.07Å; H208-F210 AromaticContact CD2-CE1 3.92Å; H208-F210 PolarHBondContact O-N 3.21Å; H208-I211 WeakPolarHBondContact O-CG1 3.23Å; H208-I211 PolarHBondContact O-N 2.92Å |
| 209 | V | 96.6 | Very high | 92.5 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -11 | 169.2 | -176 | 0 | 0 | 0 | 0 | 111.3 | A183 I187 T206 H207 I211 V212 F213 | A183-V209 HydrophobicContact CB-CG1 3.7Å; I187-V209 HydrophobicContact CD1-CB 4.45Å; I187-V209 HydrophobicContact CG1-CB 4.3Å; T206-V209 WeakPolarHBondContact O-CB 3.44Å; T206-V209 WeakPolarHBondContact O-CG2 3.48Å; T206-V209 PolarHBondContact O-N 2.99Å; T206-V209 VanDerWaalsContact O-N 3.15Å; H207-V209 PolarHBondContact O-N 3.02Å; H207-V209 VanDerWaalsContact O-N 3.16Å; V209-I211 PolarHBondContact O-N 3.04Å; V209-V212 HydrophobicContact CG1-CB 4.27Å; V209-V212 WeakPolarHBondContact O-CB 3.1Å; V209-V212 PolarHBondContact O-N 2.89Å; V209-F213 PolarHBondContact O-N 3.16Å |
| 210 | F | 95.8 | Very high | 93 | Very high | 34 Ų | 34 | 51.1 Ų | 51.1 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -51.1 | -30.4 | 168.1 | 83.7 | -100.4 | 0 | 0 | 0 | 112.6 | I187 H207 H208 F213 F214 Y278 | I187-F210 HydrophobicContact CD1-CB 4.19Å; H207-F210 WeakPolarHBondContact O-CB 3.1Å; H207-F210 WeakPolarHBondContact O-CD1 3.33Å; H207-F210 PolarHBondContact O-N 3.09Å; H207-F210 VanDerWaalsContact O-N 3.09Å; H208-F210 AromaticContact CD2-CE1 3.92Å; H208-F210 PolarHBondContact O-N 3.21Å; F210-F213 WeakPolarHBondContact O-CB 3.34Å; F210-F213 PolarHBondContact O-N 3.48Å; F210-F214 AromaticContact CD2-CD2 3.99Å; F210-F214 HydrophobicContact CD2-CD2 3.99Å; F210-F214 HydrophobicContact CD2-CE2 4.3Å; F210-F214 VanDerWaalsContact O-CD2 3.3Å; F210-F214 WeakPolarHBondContact O-CD2 3.22Å; F210-F214 PolarHBondContact O-N 3.42Å; F210-Y278 AromaticContact CE2-CE1 3.77Å; F210-Y278 HydrophobicContact CE2-CE1 3.77Å; F210-Y278 AromaticContact CZ-CE1 3.59Å; F210-Y278 HydrophobicContact CZ-CE1 3.59Å; F210-Y278 AromaticContact CZ-CZ 3.96Å; F210-Y278 WeakPolarHBondContact CZ-OH 3.31Å |
| 211 | I | 95.7 | Very high | 93.5 | Very high | 90 Ų | 90 | 47.9 Ų | 47.9 | 46% | 0.462 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 177.1 | -62.3 | 171 | 0 | 0 | 0 | 110.1 | H208 V209 F213 F214 L215 | H208-I211 WeakPolarHBondContact O-CG1 3.23Å; H208-I211 PolarHBondContact O-N 2.92Å; V209-I211 PolarHBondContact O-N 3.04Å; I211-F213 VanDerWaalsContact C-N 3.33Å; I211-F213 PolarHBondContact O-N 2.74Å; I211-F214 PolarHBondContact O-N 2.91Å; I211-L215 HydrophobicContact CG2-CD1 4.08Å; I211-L215 WeakPolarHBondContact O-CG 3.31Å; I211-L215 PolarHBondContact O-N 2.75Å |
| 212 | V | 97.1 | Very high | 93.8 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 110 | V179 V209 F214 L215 S216 | V179-V212 HydrophobicContact CG1-CG1 3.73Å; V209-V212 HydrophobicContact CG1-CB 4.27Å; V209-V212 WeakPolarHBondContact O-CB 3.1Å; V209-V212 PolarHBondContact O-N 2.89Å; V212-F214 PolarHBondContact O-N 2.9Å; V212-L215 PolarHBondContact O-N 3.09Å; V212-S216 WeakPolarHBondContact O-CB 3.34Å; V212-S216 PolarHBondContact O-N 3.27Å; V212-S216 PolarHBondContact O-OG 2.96Å; V212-S216 VanDerWaalsContact O-OG 3.13Å |
| 213 | F | 97.5 | Very high | 93.8 | Very high | 16 Ų | 16 | 47 Ų | 47 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -53.6 | -51.2 | 176.2 | 174.4 | -86.5 | 0 | 0 | 0 | 112.4 | I109 I180 A183 L184 V209 F210 I211 L217 | I109-F213 HydrophobicContact CG2-CZ 4.5Å; I180-F213 HydrophobicContact CG2-CD2 3.73Å; I180-F213 HydrophobicContact CG2-CE2 3.52Å; I180-F213 HydrophobicContact CG2-CZ 4.37Å; A183-F213 HydrophobicContact CB-CB 4.13Å; L184-F213 HydrophobicContact CB-CD2 4.44Å; L184-F213 HydrophobicContact CB-CE2 4.29Å; L184-F213 HydrophobicContact CD1-CE2 4.42Å; V209-F213 PolarHBondContact O-N 3.16Å; F210-F213 WeakPolarHBondContact O-CB 3.34Å; F210-F213 PolarHBondContact O-N 3.48Å; I211-F213 VanDerWaalsContact C-N 3.33Å; I211-F213 PolarHBondContact O-N 2.74Å; F213-L217 HydrophobicContact CE1-CD2 4.02Å; F213-L217 HydrophobicContact CZ-CD2 4.46Å; F213-L217 WeakPolarHBondContact O-CB 2.96Å; F213-L217 PolarHBondContact O-N 3.26Å |
| 214 | F | 96.7 | Very high | 93.9 | Very high | 19 Ų | 19 | 50.3 Ų | 50.3 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.8 | -37.6 | -178.3 | -84.6 | -77.4 | 0 | 0 | 0 | 113.1 | C65 I68 L69 F210 I211 V212 L217 A218 I271 V275 | C65-F214 HydrophobicContact CB-CE1 4.29Å; I68-F214 HydrophobicContact CG2-CE2 4.4Å; I68-F214 HydrophobicContact CG2-CZ 3.75Å; L69-F214 HydrophobicContact CD1-CE1 4.41Å; L69-F214 HydrophobicContact CD1-CE2 4.09Å; L69-F214 HydrophobicContact CD1-CZ 3.9Å; L69-F214 HydrophobicContact CD2-CE2 3.95Å; L69-F214 HydrophobicContact CD2-CZ 4.25Å; L69-F214 HydrophobicContact CG-CE2 4.11Å; L69-F214 HydrophobicContact CG-CZ 3.91Å; F210-F214 AromaticContact CD2-CD2 3.99Å; F210-F214 HydrophobicContact CD2-CD2 3.99Å; F210-F214 HydrophobicContact CD2-CE2 4.3Å; F210-F214 VanDerWaalsContact O-CD2 3.3Å; F210-F214 WeakPolarHBondContact O-CD2 3.22Å; F210-F214 PolarHBondContact O-N 3.42Å; I211-F214 PolarHBondContact O-N 2.91Å; V212-F214 PolarHBondContact O-N 2.9Å; F214-L217 PolarHBondContact O-N 2.98Å; F214-A218 PolarHBondContact O-N 3.32Å; F214-I271 HydrophobicContact CD1-CB 4.08Å; F214-I271 HydrophobicContact CD1-CD1 4.09Å; F214-I271 HydrophobicContact CD1-CG2 4.01Å; F214-I271 HydrophobicContact CE1-CB 4.16Å; F214-I271 HydrophobicContact CE1-CG2 3.84Å; F214-V275 HydrophobicContact CD1-CG2 4.12Å; F214-V275 HydrophobicContact CE1-CG2 4.48Å; F214-V275 HydrophobicContact CG-CG2 4.43Å |
| 215 | L | 95.4 | Very high | 93.9 | Very high | 117 Ų | 117 | 49 Ų | 49 | 61% | 0.613 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.6 | -47.8 | 175.2 | -72.3 | 175.2 | 0 | 0 | 0 | 111.1 | I211 V212 A218 I219 | I211-L215 HydrophobicContact CG2-CD1 4.08Å; I211-L215 WeakPolarHBondContact O-CG 3.31Å; I211-L215 PolarHBondContact O-N 2.75Å; V212-L215 PolarHBondContact O-N 3.09Å; L215-A218 PolarHBondContact O-N 2.88Å; L215-I219 PolarHBondContact O-N 3Å |
| 216 | S | 96.3 | Very high | 93.9 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 176.2 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | V179 I180 V212 A218 I219 H220 | V179-S216 WeakPolarHBondContact CG1-OG 3.45Å; I180-S216 VanDerWaalsContact CG1-CB 3.49Å; V212-S216 WeakPolarHBondContact O-CB 3.34Å; V212-S216 PolarHBondContact O-N 3.27Å; V212-S216 PolarHBondContact O-OG 2.96Å; V212-S216 VanDerWaalsContact O-OG 3.13Å; S216-A218 VanDerWaalsContact C-N 3.33Å; S216-A218 PolarHBondContact O-N 2.83Å; S216-I219 VanDerWaalsContact O-CG1 3.26Å; S216-I219 WeakPolarHBondContact O-CG1 3.21Å; S216-I219 PolarHBondContact O-N 2.71Å; S216-H220 WeakPolarHBondContact O-CB 3.16Å; S216-H220 PolarHBondContact O-N 3Å |
| 217 | L | 95.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.089 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 177 | -178.1 | 62.9 | 0 | 0 | 0 | 112.5 | C65 I180 F213 F214 I219 H220 I271 | C65-L217 HydrophobicContact CB-CD2 4.03Å; I180-L217 HydrophobicContact CD1-CB 4.26Å; I180-L217 HydrophobicContact CD1-CD1 4.42Å; F213-L217 HydrophobicContact CE1-CD2 4.02Å; F213-L217 HydrophobicContact CZ-CD2 4.46Å; F213-L217 WeakPolarHBondContact O-CB 2.96Å; F213-L217 PolarHBondContact O-N 3.26Å; F214-L217 PolarHBondContact O-N 2.98Å; L217-I219 VanDerWaalsContact C-N 3.27Å; L217-I219 PolarHBondContact O-N 3.37Å; L217-H220 PolarHBondContact O-N 3.34Å; L217-I271 HydrophobicContact CD2-CG2 4.16Å |
| 218 | A | 94.5 | Very high | 93.8 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 22% | 0.223 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -38 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F214 L215 S216 I271 | F214-A218 PolarHBondContact O-N 3.32Å; L215-A218 PolarHBondContact O-N 2.88Å; S216-A218 VanDerWaalsContact C-N 3.33Å; S216-A218 PolarHBondContact O-N 2.83Å; A218-I271 HydrophobicContact CB-CD1 3.96Å |
| 219 | I | 94.6 | Very high | 93.9 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -94.4 | -14.2 | -177.7 | 65 | 169.2 | 0 | 0 | 0 | 113.8 | T176 L215 S216 L217 G221 M222 | T176-I219 HydrophobicContact CG2-CD1 3.71Å; T176-I219 HydrophobicContact CG2-CG1 3.77Å; L215-I219 PolarHBondContact O-N 3Å; S216-I219 VanDerWaalsContact O-CG1 3.26Å; S216-I219 WeakPolarHBondContact O-CG1 3.21Å; S216-I219 PolarHBondContact O-N 2.71Å; L217-I219 VanDerWaalsContact C-N 3.27Å; L217-I219 PolarHBondContact O-N 3.37Å; I219-G221 VanDerWaalsContact C-N 3.26Å; I219-G221 PolarHBondContact O-N 3.4Å; I219-G221 VanDerWaalsContact O-N 3.15Å; I219-M222 HydrophobicContact CB-CE 4.25Å; I219-M222 HydrophobicContact CB-CG 4.43Å; I219-M222 HydrophobicContact CB-SD 3.79Å; I219-M222 HydrophobicContact CG2-CE 3.76Å; I219-M222 HydrophobicContact CG2-SD 3.79Å; I219-M222 VanDerWaalsContact O-CB 3.25Å; I219-M222 WeakPolarHBondContact O-CB 3.25Å; I219-M222 WeakPolarHBondContact O-CG 3.21Å; I219-M222 PolarHBondContact O-N 3.18Å |
| 220 | H | 94.6 | Very high | 93.7 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 17% | 0.167 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.1 | -40.1 | -173.1 | 180 | 63.9 | 0 | 0 | 0 | 113.8 | H116 A173 T176 G177 I180 S216 L217 M222 | H116-H220 AromaticContact NE2-NE2 3.89Å; A173-H220 PolarHBondContact O-CE1 3.44Å; A173-H220 PolarHBondContact O-ND1 2.67Å; A173-H220 VanDerWaalsContact O-ND1 3.16Å; T176-H220 WeakPolarHBondContact OG1-CA 3.39Å; T176-H220 PolarHBondContact OG1-ND1 3.23Å; G177-H220 PolarHBondContact N-ND1 3.36Å; I180-H220 HydrophobicContact CD1-CB 3.81Å; S216-H220 WeakPolarHBondContact O-CB 3.16Å; S216-H220 PolarHBondContact O-N 3Å; L217-H220 PolarHBondContact O-N 3.34Å; H220-M222 VanDerWaalsContact C-N 3.34Å; H220-M222 PolarHBondContact O-N 2.92Å |
| 221 | G | 91 | Very high | 93.6 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -79.7 | -7.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | I219 G223 R224 | I219-G221 VanDerWaalsContact C-N 3.26Å; I219-G221 PolarHBondContact O-N 3.4Å; I219-G221 VanDerWaalsContact O-N 3.15Å; G221-G223 PolarHBondContact O-N 3.39Å; G221-R224 PolarHBondContact O-N 3.01Å; G221-R224 VanDerWaalsContact O-N 3.13Å |
| 222 | M | 91.4 | Very high | 93.4 | Very high | 103 Ų | 103 | 49.8 Ų | 49.8 | 51% | 0.507 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -66.5 | -22.2 | -172.2 | -69.8 | -178.2 | 175.3 | 0 | 0 | 113.4 | I219 H220 R224 | I219-M222 HydrophobicContact CB-CE 4.25Å; I219-M222 HydrophobicContact CB-CG 4.43Å; I219-M222 HydrophobicContact CB-SD 3.79Å; I219-M222 HydrophobicContact CG2-CE 3.76Å; I219-M222 HydrophobicContact CG2-SD 3.79Å; I219-M222 VanDerWaalsContact O-CB 3.25Å; I219-M222 WeakPolarHBondContact O-CB 3.25Å; I219-M222 WeakPolarHBondContact O-CG 3.21Å; I219-M222 PolarHBondContact O-N 3.18Å; H220-M222 VanDerWaalsContact C-N 3.34Å; H220-M222 PolarHBondContact O-N 2.92Å; M222-R224 PolarHBondContact O-N 2.85Å |
| 223 | G | 87.4 | Confident | 93.2 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 24% | 0.237 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -68.7 | -12.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G221 I225 | G221-G223 PolarHBondContact O-N 3.39Å; G223-I225 PolarHBondContact O-N 3.11Å |
| 224 | R | 91.4 | Very high | 92.9 | Very high | 102 Ų | 102 | 47.7 Ų | 47.7 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | trans | 44.5 | 39.6 | 177.9 | -52.6 | -172.2 | -172.8 | 178.4 | -0.6 | 114.4 | G221 M222 V226 G262 E264 | G221-R224 PolarHBondContact O-N 3.01Å; G221-R224 VanDerWaalsContact O-N 3.13Å; M222-R224 PolarHBondContact O-N 2.85Å; R224-V226 VanDerWaalsContact C-N 3.3Å; R224-V226 PolarHBondContact O-N 3.25Å; R224-G262 WeakPolarHBondContact O-CA 3.37Å; R224-E264 IonicContact CZ-OE1 2.97Å; R224-E264 IonicContact CZ-OE2 2.94Å; R224-E264 IonicContact NE-OE1 2.97Å; R224-E264 IonicContact NE-OE2 3.8Å; R224-E264 IonicContact NH1-OE1 2.66Å; R224-E264 PolarHBondContact NH1-OE1 3.16Å; R224-E264 IonicContact NH1-OE2 2.7Å; R224-E264 IonicContact NH2-OE1 3.97Å; R224-E264 PolarHBondContact NH2-OE1 3.12Å; R224-E264 IonicContact NH2-OE2 2.95Å; R224-E264 PolarHBondContact NH2-OE2 3.47Å | ||
| 225 | I | 88.1 | Confident | 92.6 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | trans | -69.3 | -27.8 | -172.6 | -58.8 | -176.4 | 0 | 0 | 0 | 112.2 | P156 T171 A173 G223 R227 | P156-I225 HydrophobicContact CB-CG2 4.12Å; P156-I225 HydrophobicContact CG-CG2 3.82Å; T171-I225 HydrophobicContact CG2-CD1 3.96Å; A173-I225 HydrophobicContact CB-CD1 3.49Å; A173-I225 VanDerWaalsContact CB-CD1 3.49Å; A173-I225 HydrophobicContact CB-CG1 4.32Å; G223-I225 PolarHBondContact O-N 3.11Å; I225-R227 PolarHBondContact O-N 3.23Å | ||
| 226 | V | 90.2 | Very high | 92.4 | Very high | 15 Ų | 15 | 51.6 Ų | 51.6 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -84.3 | 111.1 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | F40 L51 R224 K263 | F40-V226 HydrophobicContact CE1-CG1 4.26Å; L51-V226 HydrophobicContact CD1-CG1 3.63Å; R224-V226 VanDerWaalsContact C-N 3.3Å; R224-V226 PolarHBondContact O-N 3.25Å; V226-K263 PolarHBondContact O-N 3.32Å; V226-K263 VanDerWaalsContact O-N 3.11Å |
| 227 | R | 93.2 | Very high | 92.2 | Very high | 33 Ų | 33 | 50.9 Ų | 50.9 | 13% | 0.125 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 145.8 | -174.4 | -51.7 | 179.7 | 72.2 | 90.7 | -1.4 | 110.5 | T43 Y153 L154 I225 F260 S261 | T43-R227 WeakPolarHBondContact CG2-O 3.41Å; T43-R227 PolarHBondContact OG1-O 2.99Å; Y153-R227 WeakPolarHBondContact O-CD 3.35Å; Y153-R227 PolarHBondContact O-NE 3.26Å; Y153-R227 PolarHBondContact OH-NH1 3.35Å; L154-R227 HydrophobicContact CD1-CB 4.22Å; I225-R227 PolarHBondContact O-N 3.23Å; R227-F260 HydrophobicContact CB-CB 4.4Å; R227-F260 PolarHBondContact NH2-O 2.98Å; R227-S261 VanDerWaalsContact CA-O 3.25Å; R227-S261 WeakPolarHBondContact CA-O 3.4Å |
| 228 | G | 93.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 163.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | S39 F260 S261 | S39-G228 CarbonylContact O-C 3.59Å; S39-G228 WeakPolarHBondContact O-CA 3.4Å; G228-F260 CarbonylContact O-C 3.55Å; G228-F260 VanDerWaalsContact O-CA 3.3Å; G228-F260 WeakPolarHBondContact O-CA 3.49Å; G228-S261 PolarHBondContact N-O 3.07Å; G228-S261 PolarHBondContact O-N 3.34Å |
| 229 | Q | 94.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 138 | 174.9 | -167.7 | 170.7 | 6.1 | 0 | 0 | 109.9 | S39 S233 L234 H237 Q259 F260 | S39-Q229 PolarHBondContact O-N 3.22Å; Q229-S233 PolarHBondContact NE2-OG 3.36Å; Q229-L234 HydrophobicContact CB-CD2 4.22Å; Q229-L234 HydrophobicContact CB-CG 4.28Å; Q229-L234 HydrophobicContact CG-CD2 4.09Å; Q229-L234 HydrophobicContact CG-CG 4.05Å; Q229-H237 PolarHBondContact NE2-CD2 2.98Å; Q229-Q259 CarbonylContact C-O 3.51Å; Q229-Q259 VanDerWaalsContact CA-O 3.3Å; Q229-Q259 WeakPolarHBondContact CA-O 3.35Å; Q229-F260 HydrophobicContact CB-CD1 4.29Å; Q229-F260 HydrophobicContact CB-CE1 4.17Å |
| 230 | T | 93.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 19% | 0.19 | 30% | 0.302 | C | S | . | . | trans | -72.4 | 154.5 | 179.9 | 65.6 | 0 | 0 | 0 | 0 | 111.2 | D232 S233 L234 Q259 | T230-D232 VanDerWaalsContact C-N 3.28Å; T230-D232 PolarHBondContact O-N 2.97Å; T230-S233 CarbonylContact O-C 3.56Å; T230-S233 WeakPolarHBondContact O-CA 3.37Å; T230-S233 WeakPolarHBondContact O-CB 3.45Å; T230-S233 PolarHBondContact O-N 3.27Å; T230-S233 VanDerWaalsContact OG1-CB 3.28Å; T230-S233 WeakPolarHBondContact OG1-CB 3.37Å; T230-S233 PolarHBondContact OG1-N 3.06Å; T230-L234 WeakPolarHBondContact O-CG 3.26Å; T230-L234 PolarHBondContact O-N 3.05Å; T230-Q259 PolarHBondContact N-O 3.49Å | ||
| 231 | Q | 92.2 | Very high | 91.1 | Very high | 144 Ų | 144 | 56.7 Ų | 56.7 | 67% | 0.673 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.5 | -39.2 | 178.9 | -163.3 | 64.3 | 14.3 | 0 | 0 | 112.3 | S233 L234 S235 | Q231-S233 VanDerWaalsContact C-N 3.26Å; Q231-S233 PolarHBondContact O-N 3.14Å; Q231-L234 PolarHBondContact O-N 2.84Å; Q231-S235 PolarHBondContact O-N 2.84Å; Q231-S235 VanDerWaalsContact O-N 3.15Å |
| 232 | D | 91.9 | Very high | 91.1 | Very high | 126 Ų | 126 | 55.4 Ų | 55.4 | 67% | 0.674 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.8 | -32.5 | 175.1 | -56.3 | -31.8 | 0 | 0 | 0 | 112 | T230 S235 L236 | T230-D232 VanDerWaalsContact C-N 3.28Å; T230-D232 PolarHBondContact O-N 2.97Å; D232-S235 PolarHBondContact O-OG 3.16Å; D232-L236 WeakPolarHBondContact O-CG 3.2Å |
| 233 | S | 92.2 | Very high | 91 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75 | -38.1 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | Q229 T230 Q231 S235 L236 H237 P258 Q259 | Q229-S233 PolarHBondContact NE2-OG 3.36Å; T230-S233 CarbonylContact O-C 3.56Å; T230-S233 WeakPolarHBondContact O-CA 3.37Å; T230-S233 WeakPolarHBondContact O-CB 3.45Å; T230-S233 PolarHBondContact O-N 3.27Å; T230-S233 VanDerWaalsContact OG1-CB 3.28Å; T230-S233 WeakPolarHBondContact OG1-CB 3.37Å; T230-S233 PolarHBondContact OG1-N 3.06Å; Q231-S233 VanDerWaalsContact C-N 3.26Å; Q231-S233 PolarHBondContact O-N 3.14Å; S233-S235 VanDerWaalsContact C-N 3.29Å; S233-S235 PolarHBondContact O-N 3.42Å; S233-L236 PolarHBondContact O-N 3.33Å; S233-H237 WeakPolarHBondContact O-CA 3.39Å; S233-H237 WeakPolarHBondContact O-CB 3.4Å; S233-H237 PolarHBondContact O-N 2.66Å; S233-P258 WeakPolarHBondContact OG-CA 3.41Å; S233-Q259 PolarHBondContact OG-N 3.39Å |
| 234 | L | 92.3 | Very high | 91.1 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.4 | -34.9 | 177.8 | -73.3 | 168.1 | 0 | 0 | 0 | 112.7 | Q229 T230 Q231 L236 I239 | Q229-L234 HydrophobicContact CB-CD2 4.22Å; Q229-L234 HydrophobicContact CB-CG 4.28Å; Q229-L234 HydrophobicContact CG-CD2 4.09Å; Q229-L234 HydrophobicContact CG-CG 4.05Å; T230-L234 WeakPolarHBondContact O-CG 3.26Å; T230-L234 PolarHBondContact O-N 3.05Å; Q231-L234 PolarHBondContact O-N 2.84Å; L234-L236 VanDerWaalsContact C-N 3.35Å; L234-I239 HydrophobicContact CD2-CD1 3.48Å; L234-I239 VanDerWaalsContact CD2-CD1 3.48Å; L234-I239 HydrophobicContact CD2-CG1 4.28Å |
| 235 | S | 91.2 | Very high | 91 | Very high | 96 Ų | 96 | 59 Ų | 59 | 67% | 0.671 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -71.6 | -28.9 | 177.4 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | Q231 D232 S233 | Q231-S235 PolarHBondContact O-N 2.84Å; Q231-S235 VanDerWaalsContact O-N 3.15Å; D232-S235 PolarHBondContact O-OG 3.16Å; S233-S235 VanDerWaalsContact C-N 3.29Å; S233-S235 PolarHBondContact O-N 3.42Å |
| 236 | L | 91.2 | Very high | 91.1 | Very high | 123 Ų | 123 | 61.5 Ų | 61.5 | 64% | 0.644 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -96.9 | -25 | -178.8 | -63.9 | 175.3 | 0 | 0 | 0 | 113.6 | D232 S233 L234 P256 | D232-L236 WeakPolarHBondContact O-CG 3.2Å; S233-L236 PolarHBondContact O-N 3.33Å; L234-L236 VanDerWaalsContact C-N 3.35Å; L236-P256 HydrophobicContact CB-CG 4.01Å; L236-P256 WeakPolarHBondContact O-CD 3.49Å |
| 237 | H | 90.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -117.5 | 95.8 | -174.2 | -177.3 | 102.9 | 0 | 0 | 0 | 109.9 | Y42 Q229 S233 I239 C242 W249 P256 | Y42-H237 AromaticContact CE2-CD2 3.84Å; Y42-H237 AromaticContact CE2-NE2 3.36Å; Y42-H237 WeakPolarHBondContact CE2-NE2 3.26Å; Y42-H237 AromaticContact CZ-NE2 3.4Å; Y42-H237 PolarHBondContact OH-NE2 2.98Å; Q229-H237 PolarHBondContact NE2-CD2 2.98Å; S233-H237 WeakPolarHBondContact O-CA 3.39Å; S233-H237 WeakPolarHBondContact O-CB 3.4Å; S233-H237 PolarHBondContact O-N 2.66Å; H237-I239 PolarHBondContact O-N 3.36Å; H237-I239 VanDerWaalsContact O-N 3.12Å; H237-C242 WeakPolarHBondContact CE1-CB 3.42Å; H237-C242 VanDerWaalsContact NE2-CB 3.33Å; H237-C242 WeakPolarHBondContact NE2-CB 3.39Å; H237-W249 AromaticContact CE1-CD1 3.99Å; H237-W249 AromaticContact CE1-CE2 3.73Å; H237-W249 AromaticContact CE1-NE1 3.46Å; H237-W249 PolarHBondContact CE1-NE1 3.31Å; H237-P256 PolarHBondContact ND1-O 3.05Å |
| 238 | N | 89.8 | Confident | 90.6 | Very high | 89 Ų | 89 | 66.4 Ų | 66.4 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | trans | -71.9 | 107.2 | 176.8 | -174.8 | -25.5 | 0 | 0 | 0 | 110.3 | T240 V241 C242 | N238-T240 VanDerWaalsContact C-N 3.28Å; N238-T240 PolarHBondContact O-N 3.06Å; N238-T240 PolarHBondContact OD1-N 3.48Å; N238-T240 VanDerWaalsContact OD1-N 3.1Å; N238-T240 PolarHBondContact OD1-OG1 3.09Å; N238-V241 PolarHBondContact O-N 3.2Å; N238-C242 VanDerWaalsContact O-CB 3.25Å; N238-C242 WeakPolarHBondContact O-CB 3.44Å; N238-C242 PolarHBondContact O-N 3.42Å; N238-C242 PolarHBondContact O-SG 3.09Å | ||
| 239 | I | 89.9 | Confident | 90.3 | Very high | 15 Ų | 15 | 66.8 Ų | 66.8 | 8% | 0.077 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.6 | -42 | -175.6 | -64.8 | 163.2 | 0 | 0 | 0 | 111.7 | E38 H41 Y42 L234 H237 V241 R243 | E38-I239 HydrophobicContact CB-CD1 3.92Å; E38-I239 WeakPolarHBondContact O-CD1 3.5Å; H41-I239 HydrophobicContact CB-CD1 4.29Å; H41-I239 HydrophobicContact CB-CG2 4.21Å; H41-I239 VanDerWaalsContact CD2-CG2 3.43Å; H41-I239 WeakPolarHBondContact CD2-CG2 3.38Å; Y42-I239 HydrophobicContact CE2-CG1 4.28Å; L234-I239 HydrophobicContact CD2-CD1 3.48Å; L234-I239 VanDerWaalsContact CD2-CD1 3.48Å; L234-I239 HydrophobicContact CD2-CG1 4.28Å; H237-I239 PolarHBondContact O-N 3.36Å; H237-I239 VanDerWaalsContact O-N 3.12Å; I239-V241 PolarHBondContact O-N 3.39Å; I239-R243 WeakPolarHBondContact O-CB 3.31Å; I239-R243 PolarHBondContact O-N 3.18Å |
| 240 | T | 88 | Confident | 89.6 | Confident | 100 Ų | 100 | 74.5 Ų | 74.5 | 61% | 0.613 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.3 | -31.4 | -174.9 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | N238 | N238-T240 VanDerWaalsContact C-N 3.28Å; N238-T240 PolarHBondContact O-N 3.06Å; N238-T240 PolarHBondContact OD1-N 3.48Å; N238-T240 VanDerWaalsContact OD1-N 3.1Å; N238-T240 PolarHBondContact OD1-OG1 3.09Å |
| 241 | V | 88.8 | Confident | 88.8 | Confident | 70 Ų | 70 | 78.4 Ų | 78.4 | 42% | 0.424 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -96.9 | -44.6 | -179.5 | 178.9 | 0 | 0 | 0 | 0 | 111 | N238 I239 R243 | N238-V241 PolarHBondContact O-N 3.2Å; I239-V241 PolarHBondContact O-N 3.39Å; V241-R243 VanDerWaalsContact C-N 3.35Å; V241-R243 PolarHBondContact O-N 2.87Å |
| 242 | C | 90.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.007 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -77.4 | -21.5 | -170.7 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | H237 N238 D244 R245 Y246 W249 C255 | H237-C242 WeakPolarHBondContact CE1-CB 3.42Å; H237-C242 VanDerWaalsContact NE2-CB 3.33Å; H237-C242 WeakPolarHBondContact NE2-CB 3.39Å; N238-C242 VanDerWaalsContact O-CB 3.25Å; N238-C242 WeakPolarHBondContact O-CB 3.44Å; N238-C242 PolarHBondContact O-N 3.42Å; N238-C242 PolarHBondContact O-SG 3.09Å; C242-D244 VanDerWaalsContact C-N 3.31Å; C242-D244 PolarHBondContact O-N 3.33Å; C242-R245 CarbonylContact O-C 3.5Å; C242-R245 PolarHBondContact O-N 3.45Å; C242-Y246 PolarHBondContact O-N 3.07Å; C242-W249 PolarHBondContact O-NE1 3.46Å; C242-C255 WeakPolarHBondContact CA-SG 3.36Å; C242-C255 HydrophobicContact CB-CB 3.72Å; C242-C255 WeakPolarHBondContact CB-SG 3.43Å; C242-C255 WeakPolarHBondContact SG-CA 3.46Å; C242-C255 WeakPolarHBondContact SG-CB 3.24Å; C242-C255 CovalentContact SG-SG 2.04Å; C242-C255 PolarHBondContact SG-SG 3Å |
| 243 | R | 89.7 | Confident | 87.5 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -44.1 | 174 | 176.2 | -169.3 | 174.3 | 177.1 | -5.4 | 112.2 | Y42 L138 I239 V241 | Y42-R243 HydrophobicContact CE1-CB 4.24Å; Y42-R243 HydrophobicContact CE1-CG 4.35Å; Y42-R243 WeakPolarHBondContact OH-CA 3.25Å; Y42-R243 PolarHBondContact OH-N 3.02Å; L138-R243 HydrophobicContact CD2-CG 3.55Å; I239-R243 WeakPolarHBondContact O-CB 3.31Å; I239-R243 PolarHBondContact O-N 3.18Å; V241-R243 VanDerWaalsContact C-N 3.35Å; V241-R243 PolarHBondContact O-N 2.87Å |
| 244 | D | 89.7 | Confident | 87 | Confident | 122 Ų | 122 | 79.1 Ų | 79.1 | 65% | 0.652 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -19.9 | -175.7 | -63.2 | -28.3 | 0 | 0 | 0 | 112 | C242 | C242-D244 VanDerWaalsContact C-N 3.31Å; C242-D244 PolarHBondContact O-N 3.33Å |
| 245 | R | 90.3 | Very high | 86.7 | Confident | 75 Ų | 75 | 77.8 Ų | 77.8 | 28% | 0.283 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 34.4 | 176.6 | -62.8 | 176.4 | 70.4 | -175 | 3.2 | 112.9 | C242 A247 E248 | C242-R245 CarbonylContact O-C 3.5Å; C242-R245 PolarHBondContact O-N 3.45Å; R245-A247 PolarHBondContact O-N 2.97Å; R245-A247 VanDerWaalsContact O-N 3.14Å; R245-E248 IonicContact CZ-OE2 3.19Å; R245-E248 IonicContact NE-OE1 3.66Å; R245-E248 IonicContact NE-OE2 2.96Å; R245-E248 PolarHBondContact NE-OE2 3.37Å; R245-E248 IonicContact NH2-OE2 2.64Å; R245-E248 PolarHBondContact NH2-OE2 2.97Å; R245-E248 PolarHBondContact O-N 3.36Å |
| 246 | Y | 88.4 | Confident | 86.7 | Confident | 93 Ų | 93 | 75.4 Ų | 75.4 | 37% | 0.365 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -60.9 | -24.6 | -175.9 | 66.8 | -90.4 | 0 | 0 | 0 | 114.7 | G137 L138 A141 C242 E248 | G137-Y246 WeakPolarHBondContact CA-OH 3.17Å; L138-Y246 HydrophobicContact CB-CD1 4.21Å; L138-Y246 HydrophobicContact CB-CG 4.42Å; L138-Y246 HydrophobicContact CD1-CG 4.26Å; A141-Y246 HydrophobicContact CB-CD2 3.84Å; C242-Y246 PolarHBondContact O-N 3.07Å; Y246-E248 PolarHBondContact O-N 2.81Å |
| 247 | A | 86.3 | Confident | 86.6 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 70% | 0.702 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -70.3 | -18 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R245 | R245-A247 PolarHBondContact O-N 2.97Å; R245-A247 VanDerWaalsContact O-N 3.14Å |
| 248 | E | 87 | Confident | 86.7 | Confident | 65 Ų | 65 | 71.4 Ų | 71.4 | 30% | 0.304 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -104.2 | 1.7 | -173 | -62.7 | 173.3 | -144 | 0 | 0 | 113.3 | R245 Y246 Q250 T251 V252 | R245-E248 IonicContact CZ-OE2 3.19Å; R245-E248 IonicContact NE-OE1 3.66Å; R245-E248 IonicContact NE-OE2 2.96Å; R245-E248 PolarHBondContact NE-OE2 3.37Å; R245-E248 IonicContact NH2-OE2 2.64Å; R245-E248 PolarHBondContact NH2-OE2 2.97Å; R245-E248 PolarHBondContact O-N 3.36Å; Y246-E248 PolarHBondContact O-N 2.81Å; E248-Q250 PolarHBondContact O-N 2.9Å; E248-T251 WeakPolarHBondContact CA-OG1 3.33Å; E248-T251 PolarHBondContact O-N 3.27Å; E248-T251 PolarHBondContact O-OG1 3.31Å; E248-V252 HydrophobicContact CB-CB 4.4Å; E248-V252 HydrophobicContact CB-CG2 4Å; E248-V252 HydrophobicContact CG-CG2 4.42Å; E248-V252 PolarHBondContact O-N 3.34Å |
| 249 | W | 87.5 | Confident | 86.9 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 5% | 0.049 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.3 | -173.4 | -74 | -11.5 | 0 | 0 | 0 | 115.1 | Y42 L138 A141 L142 L145 H237 C242 C255 V257 P258 | Y42-W249 HydrophobicContact CE1-CH2 4.39Å; Y42-W249 HydrophobicContact CE1-CZ2 4.2Å; Y42-W249 AromaticContact CZ-CZ2 3.99Å; L138-W249 HydrophobicContact CD1-CH2 3.51Å; L138-W249 HydrophobicContact CD1-CZ2 3.77Å; A141-W249 HydrophobicContact CB-CZ3 4.4Å; L142-W249 HydrophobicContact CD2-CH2 3.65Å; L142-W249 HydrophobicContact CD2-CZ3 3.99Å; L142-W249 HydrophobicContact CG-CH2 4.15Å; L142-W249 HydrophobicContact CG-CZ3 4.5Å; L145-W249 HydrophobicContact CD1-CZ3 4.2Å; H237-W249 AromaticContact CE1-CD1 3.99Å; H237-W249 AromaticContact CE1-CE2 3.73Å; H237-W249 AromaticContact CE1-NE1 3.46Å; H237-W249 PolarHBondContact CE1-NE1 3.31Å; C242-W249 PolarHBondContact O-NE1 3.46Å; W249-C255 CarbonylContact C-O 3.57Å; W249-C255 VanDerWaalsContact CA-O 3.25Å; W249-C255 WeakPolarHBondContact CA-O 3.45Å; W249-V257 HydrophobicContact CB-CG2 4.15Å; W249-V257 WeakPolarHBondContact O-CG2 3.11Å; W249-V257 PolarHBondContact O-N 3.04Å; W249-P258 HydrophobicContact CE3-CG 4.25Å; W249-P258 HydrophobicContact CH2-CG 4.1Å; W249-P258 HydrophobicContact CZ2-CG 4.38Å; W249-P258 HydrophobicContact CZ3-CG 4.03Å |
| 250 | Q | 79.4 | Confident | 87.1 | Confident | 170 Ų | 170 | 70.2 Ų | 70.2 | 79% | 0.794 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -14.3 | -179.6 | -66.3 | -179.1 | -12.8 | 0 | 0 | 113.1 | E248 V257 | E248-Q250 PolarHBondContact O-N 2.9Å; Q250-V257 HydrophobicContact CG-CG2 3.8Å |
| 251 | T | 78.7 | Confident | 87.4 | Confident | 113 Ų | 113 | 68.3 Ų | 68.3 | 69% | 0.693 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -28.2 | -168.4 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | E248 | E248-T251 WeakPolarHBondContact CA-OG1 3.33Å; E248-T251 PolarHBondContact O-N 3.27Å; E248-T251 PolarHBondContact O-OG1 3.31Å |
| 252 | V | 77.4 | Confident | 87.5 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | trans | -116.9 | 123.2 | -175.1 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | E248 Q254 C255 | E248-V252 HydrophobicContact CB-CB 4.4Å; E248-V252 HydrophobicContact CB-CG2 4Å; E248-V252 HydrophobicContact CG-CG2 4.42Å; E248-V252 PolarHBondContact O-N 3.34Å; V252-Q254 HydrophobicContact CG1-CB 3.86Å; V252-Q254 PolarHBondContact O-N 3.37Å; V252-C255 PolarHBondContact O-N 3.24Å; V252-C255 VanDerWaalsContact O-N 3.17Å | ||
| 253 | A | 77.8 | Confident | 87.3 | Confident | 104 Ų | 104 | 69.4 Ų | 69.4 | 86% | 0.86 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C255 | A253-C255 VanDerWaalsContact C-N 3.27Å; A253-C255 PolarHBondContact O-N 3.02Å |
| 254 | Q | 83.2 | Confident | 87.3 | Confident | 141 Ų | 141 | 69.4 Ų | 69.4 | 66% | 0.659 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.2 | -178.7 | -133.9 | 168.2 | 27.3 | 0 | 0 | 113.7 | V252 | V252-Q254 HydrophobicContact CG1-CB 3.86Å; V252-Q254 PolarHBondContact O-N 3.37Å |
| 255 | C | 86.3 | Confident | 87.3 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.02 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -138.9 | 78.8 | 177.6 | -77.6 | 0 | 0 | 0 | 0 | 110.4 | C242 W249 V252 A253 | C242-C255 WeakPolarHBondContact CA-SG 3.36Å; C242-C255 HydrophobicContact CB-CB 3.72Å; C242-C255 WeakPolarHBondContact CB-SG 3.43Å; C242-C255 WeakPolarHBondContact SG-CA 3.46Å; C242-C255 WeakPolarHBondContact SG-CB 3.24Å; C242-C255 CovalentContact SG-SG 2.04Å; C242-C255 PolarHBondContact SG-SG 3Å; W249-C255 CarbonylContact C-O 3.57Å; W249-C255 VanDerWaalsContact CA-O 3.25Å; W249-C255 WeakPolarHBondContact CA-O 3.45Å; V252-C255 PolarHBondContact O-N 3.24Å; V252-C255 VanDerWaalsContact O-N 3.17Å; A253-C255 VanDerWaalsContact C-N 3.27Å; A253-C255 PolarHBondContact O-N 3.02Å |
| 256 | P | 89.9 | Confident | 87.3 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 154.8 | 178.7 | 27.8 | -34 | 0 | 0 | 0 | 111.4 | L236 H237 | L236-P256 HydrophobicContact CB-CG 4.01Å; L236-P256 WeakPolarHBondContact O-CD 3.49Å; H237-P256 PolarHBondContact ND1-O 3.05Å |
| 257 | V | 90.3 | Very high | 87.4 | Confident | 40 Ų | 40 | 58.9 Ų | 58.9 | 24% | 0.242 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 125.7 | 178.4 | -179.1 | 0 | 0 | 0 | 0 | 111 | L145 W249 Q250 Q259 | L145-V257 HydrophobicContact CD1-CG1 4.47Å; L145-V257 HydrophobicContact CD2-CG1 3.65Å; W249-V257 HydrophobicContact CB-CG2 4.15Å; W249-V257 WeakPolarHBondContact O-CG2 3.11Å; W249-V257 PolarHBondContact O-N 3.04Å; Q250-V257 HydrophobicContact CG-CG2 3.8Å; V257-Q259 PolarHBondContact O-NE2 3.07Å; V257-Q259 VanDerWaalsContact O-NE2 3.13Å |
| 258 | P | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 137.5 | -177.7 | 26.3 | -33.3 | 0 | 0 | 0 | 111.1 | Y42 L145 S233 W249 F260 | Y42-P258 HydrophobicContact CD2-CB 4.3Å; Y42-P258 HydrophobicContact CD2-CG 4.47Å; Y42-P258 HydrophobicContact CE2-CB 4.08Å; Y42-P258 HydrophobicContact CE2-CG 4.23Å; L145-P258 HydrophobicContact CD1-CG 4.16Å; S233-P258 WeakPolarHBondContact OG-CA 3.41Å; W249-P258 HydrophobicContact CE3-CG 4.25Å; W249-P258 HydrophobicContact CH2-CG 4.1Å; W249-P258 HydrophobicContact CZ2-CG 4.38Å; W249-P258 HydrophobicContact CZ3-CG 4.03Å; P258-F260 HydrophobicContact CB-CE2 4.01Å; P258-F260 HydrophobicContact CB-CZ 3.89Å; P258-F260 HydrophobicContact CG-CE2 3.94Å; P258-F260 HydrophobicContact CG-CZ 3.98Å; P258-F260 WeakPolarHBondContact O-CE2 3.41Å |
| 259 | Q | 93.6 | Very high | 88 | Confident | 75 Ų | 75 | 63.2 Ų | 63.2 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | trans | -104.5 | 137.3 | 180 | -57.2 | -61 | -43.8 | 0 | 0 | 111.8 | S152 Q229 T230 S233 V257 | S152-Q259 VanDerWaalsContact OG-CA 3.24Å; S152-Q259 WeakPolarHBondContact OG-CA 3.43Å; S152-Q259 PolarHBondContact OG-OE1 3.45Å; Q229-Q259 CarbonylContact C-O 3.51Å; Q229-Q259 VanDerWaalsContact CA-O 3.3Å; Q229-Q259 WeakPolarHBondContact CA-O 3.35Å; T230-Q259 PolarHBondContact N-O 3.49Å; S233-Q259 PolarHBondContact OG-N 3.39Å; V257-Q259 PolarHBondContact O-NE2 3.07Å; V257-Q259 VanDerWaalsContact O-NE2 3.13Å | ||
| 260 | F | 94.3 | Very high | 88.3 | Confident | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.3 | -173.9 | -59.2 | -81.5 | 0 | 0 | 0 | 113.1 | Y42 L142 L145 S152 Y153 L154 R227 G228 Q229 P258 | Y42-F260 HydrophobicContact CD2-CE1 4.2Å; Y42-F260 AromaticContact CD2-CZ 3.98Å; Y42-F260 HydrophobicContact CD2-CZ 3.98Å; Y42-F260 HydrophobicContact CG-CZ 4.32Å; L142-F260 HydrophobicContact CD2-CZ 4.08Å; L145-F260 HydrophobicContact CD1-CE2 3.76Å; S152-F260 WeakPolarHBondContact CB-O 3.49Å; S152-F260 PolarHBondContact OG-N 3.5Å; Y153-F260 WeakPolarHBondContact O-CB 3.36Å; L154-F260 HydrophobicContact CB-CD1 4.29Å; L154-F260 HydrophobicContact CB-CD2 3.92Å; L154-F260 HydrophobicContact CB-CE1 4.37Å; L154-F260 HydrophobicContact CB-CE2 4.01Å; L154-F260 HydrophobicContact CB-CG 4.07Å; L154-F260 HydrophobicContact CB-CZ 4.23Å; L154-F260 HydrophobicContact CD1-CD1 3.76Å; L154-F260 HydrophobicContact CD1-CE1 4.01Å; L154-F260 HydrophobicContact CD1-CG 4.21Å; L154-F260 HydrophobicContact CD2-CD1 4.48Å; L154-F260 HydrophobicContact CD2-CE1 3.93Å; L154-F260 HydrophobicContact CD2-CZ 3.95Å; L154-F260 HydrophobicContact CG-CD1 4.39Å; L154-F260 HydrophobicContact CG-CE1 4.33Å; R227-F260 HydrophobicContact CB-CB 4.4Å; R227-F260 PolarHBondContact NH2-O 2.98Å; G228-F260 CarbonylContact O-C 3.55Å; G228-F260 VanDerWaalsContact O-CA 3.3Å; G228-F260 WeakPolarHBondContact O-CA 3.49Å; Q229-F260 HydrophobicContact CB-CD1 4.29Å; Q229-F260 HydrophobicContact CB-CE1 4.17Å; P258-F260 HydrophobicContact CB-CE2 4.01Å; P258-F260 HydrophobicContact CB-CZ 3.89Å; P258-F260 HydrophobicContact CG-CE2 3.94Å; P258-F260 HydrophobicContact CG-CZ 3.98Å; P258-F260 WeakPolarHBondContact O-CE2 3.41Å |
| 261 | S | 93.3 | Very high | 89 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 42% | 0.42 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 146.5 | 172 | 70.6 | 0 | 0 | 0 | 0 | 111.4 | R227 G228 | R227-S261 VanDerWaalsContact CA-O 3.25Å; R227-S261 WeakPolarHBondContact CA-O 3.4Å; G228-S261 PolarHBondContact N-O 3.07Å; G228-S261 PolarHBondContact O-N 3.34Å |
| 262 | G | 90.5 | Very high | 89.8 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 11% | 0.113 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 138.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R224 | R224-G262 WeakPolarHBondContact O-CA 3.37Å |
| 263 | K | 87.1 | Confident | 90.5 | Very high | 84 Ų | 84 | 57.5 Ų | 57.5 | 37% | 0.365 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -66 | 138.3 | 179.2 | -170 | 166.9 | -178.5 | 164.7 | 0 | 110.8 | Y34 V226 | Y34-K263 WeakPolarHBondContact OH-CD 3.47Å; Y34-K263 PolarHBondContact OH-NZ 3.01Å; Y34-K263 VanDerWaalsContact OH-NZ 3.13Å; V226-K263 PolarHBondContact O-N 3.32Å; V226-K263 VanDerWaalsContact O-N 3.11Å |
| 264 | E | 90.1 | Very high | 91.2 | Very high | 106 Ų | 106 | 53.2 Ų | 53.2 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 140.2 | 176.6 | -69.7 | -63.2 | 152.5 | 0 | 0 | 112 | R224 S266 | R224-E264 IonicContact CZ-OE1 2.97Å; R224-E264 IonicContact CZ-OE2 2.94Å; R224-E264 IonicContact NE-OE1 2.97Å; R224-E264 IonicContact NE-OE2 3.8Å; R224-E264 IonicContact NH1-OE1 2.66Å; R224-E264 PolarHBondContact NH1-OE1 3.16Å; R224-E264 IonicContact NH1-OE2 2.7Å; R224-E264 IonicContact NH2-OE1 3.97Å; R224-E264 PolarHBondContact NH2-OE1 3.12Å; R224-E264 IonicContact NH2-OE2 2.95Å; R224-E264 PolarHBondContact NH2-OE2 3.47Å; E264-S266 PolarHBondContact O-N 3.31Å |
| 265 | P | 89.9 | Confident | 91.7 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 129.2 | 176.3 | 27 | -32.7 | 0 | 0 | 0 | 110.4 | W268 | P265-W268 PolarHBondContact O-NE1 3.45Š|
| 266 | S | 89.6 | Confident | 92.1 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | trans | -110.3 | -19.3 | 179.2 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | E264 W268 K269 W270 | E264-S266 PolarHBondContact O-N 3.31Å; S266-W268 VanDerWaalsContact C-N 3.31Å; S266-W268 PolarHBondContact O-N 3.3Å; S266-K269 VanDerWaalsContact O-CB 3.28Å; S266-K269 WeakPolarHBondContact O-CB 3.47Å; S266-K269 PolarHBondContact O-N 3.41Å; S266-W270 VanDerWaalsContact O-CD1 3.27Å | ||
| 267 | A | 91.3 | Very high | 92.3 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.5 | -43.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N62 K269 W270 I271 | N62-A267 WeakPolarHBondContact OD1-CB 3.49Å; A267-K269 PolarHBondContact O-N 2.93Å; A267-W270 WeakPolarHBondContact O-CB 3.4Å; A267-W270 PolarHBondContact O-N 3.06Å; A267-I271 PolarHBondContact O-N 3.31Å |
| 268 | W | 91.3 | Very high | 92.4 | Very high | 112 Ų | 112 | 52.5 Ų | 52.5 | 42% | 0.424 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.2 | -33.2 | 177.8 | 70.1 | -93.5 | 0 | 0 | 0 | 113 | P265 S266 W270 I271 L272 | P265-W268 PolarHBondContact O-NE1 3.45Å; S266-W268 VanDerWaalsContact C-N 3.31Å; S266-W268 PolarHBondContact O-N 3.3Å; W268-W270 VanDerWaalsContact C-N 3.32Å; W268-W270 PolarHBondContact O-N 2.86Å; W268-I271 PolarHBondContact O-N 3.5Å; W268-L272 HydrophobicContact CZ3-CD2 4.33Å; W268-L272 VanDerWaalsContact O-CB 3.26Å; W268-L272 WeakPolarHBondContact O-CB 3.49Å; W268-L272 PolarHBondContact O-N 3.49Å |
| 269 | K | 93.4 | Very high | 92.4 | Very high | 129 Ų | 129 | 54.7 Ų | 54.7 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.1 | -35.7 | 178.6 | -56.7 | -179.1 | -179.8 | -179.7 | 0 | 111.7 | S266 A267 | S266-K269 VanDerWaalsContact O-CB 3.28Å; S266-K269 WeakPolarHBondContact O-CB 3.47Å; S266-K269 PolarHBondContact O-N 3.41Å; A267-K269 PolarHBondContact O-N 2.93Å |
| 270 | W | 94.9 | Very high | 92.4 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -74.7 | -37.3 | 179.5 | -68 | 89 | 0 | 0 | 0 | 112.4 | L59 N62 F63 M66 S266 A267 W268 P274 | L59-W270 HydrophobicContact CD1-CH2 4.46Å; L59-W270 HydrophobicContact CD1-CZ2 3.72Å; N62-W270 HydrophobicContact CB-CB 4.13Å; N62-W270 HydrophobicContact CB-CD2 3.98Å; N62-W270 HydrophobicContact CB-CG 3.69Å; F63-W270 HydrophobicContact CB-CZ3 4.35Å; F63-W270 HydrophobicContact CD2-CZ3 4.23Å; M66-W270 HydrophobicContact CB-CB 4.46Å; M66-W270 HydrophobicContact CB-CE3 4.41Å; M66-W270 WeakPolarHBondContact CB-O 3.42Å; M66-W270 HydrophobicContact CE-CE3 4.43Å; M66-W270 HydrophobicContact CE-CZ3 4.42Å; M66-W270 WeakPolarHBondContact CG-O 3.29Å; M66-W270 HydrophobicContact SD-CE3 3.79Å; M66-W270 HydrophobicContact SD-CZ3 4.23Å; S266-W270 VanDerWaalsContact O-CD1 3.27Å; A267-W270 WeakPolarHBondContact O-CB 3.4Å; A267-W270 PolarHBondContact O-N 3.06Å; W268-W270 VanDerWaalsContact C-N 3.32Å; W268-W270 PolarHBondContact O-N 2.86Å; W270-P274 WeakPolarHBondContact O-CD 3.26Å |
| 271 | I | 94.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -91.9 | -19.3 | -173.8 | 65.1 | 174.8 | 0 | 0 | 0 | 113.8 | C65 F214 L217 A218 A267 W268 G273 P274 V275 | C65-I271 HydrophobicContact CB-CG2 4.18Å; F214-I271 HydrophobicContact CD1-CB 4.08Å; F214-I271 HydrophobicContact CD1-CD1 4.09Å; F214-I271 HydrophobicContact CD1-CG2 4.01Å; F214-I271 HydrophobicContact CE1-CB 4.16Å; F214-I271 HydrophobicContact CE1-CG2 3.84Å; L217-I271 HydrophobicContact CD2-CG2 4.16Å; A218-I271 HydrophobicContact CB-CD1 3.96Å; A267-I271 PolarHBondContact O-N 3.31Å; W268-I271 PolarHBondContact O-N 3.5Å; I271-G273 PolarHBondContact O-N 2.9Å; I271-P274 WeakPolarHBondContact O-CD 3.37Å; I271-V275 HydrophobicContact CB-CG2 4.4Å; I271-V275 VanDerWaalsContact O-CB 3.29Å; I271-V275 WeakPolarHBondContact O-CB 3.37Å; I271-V275 WeakPolarHBondContact O-CG2 3.17Å; I271-V275 PolarHBondContact O-N 2.92Å |
| 272 | L | 93.6 | Very high | 92.1 | Very high | 97 Ų | 97 | 56.2 Ų | 56.2 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.8 | -53.7 | -175.3 | 179.2 | 62.8 | 0 | 0 | 0 | 112.6 | W268 V275 V276 | W268-L272 HydrophobicContact CZ3-CD2 4.33Å; W268-L272 VanDerWaalsContact O-CB 3.26Å; W268-L272 WeakPolarHBondContact O-CB 3.49Å; W268-L272 PolarHBondContact O-N 3.49Å; L272-V275 PolarHBondContact O-N 3.19Å; L272-V276 HydrophobicContact CD1-CG2 4.08Å; L272-V276 WeakPolarHBondContact O-CB 3.44Å; L272-V276 VanDerWaalsContact O-CG2 3.27Å; L272-V276 WeakPolarHBondContact O-CG2 3.19Å; L272-V276 PolarHBondContact O-N 3.01Å |
| 273 | G | 93.4 | Very high | 92.1 | Very high | 46 Ų | 46 | 59.8 Ų | 59.8 | 47% | 0.474 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.4 | -54.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I271 V275 V276 L277 | I271-G273 PolarHBondContact O-N 2.9Å; G273-V275 PolarHBondContact O-N 3.46Å; G273-V276 PolarHBondContact O-N 3.26Å; G273-L277 WeakPolarHBondContact O-CB 3.32Å; G273-L277 PolarHBondContact O-N 2.93Å |
| 274 | P | 92.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 177.3 | -26.3 | 34.2 | 0 | 0 | 0 | 114.2 | M66 L69 W270 I271 L277 Y278 | M66-P274 HydrophobicContact CB-CG 4.26Å; M66-P274 HydrophobicContact CG-CG 3.6Å; M66-P274 WeakPolarHBondContact O-CB 3.22Å; M66-P274 WeakPolarHBondContact O-CG 3.31Å; L69-P274 HydrophobicContact CB-CB 4.46Å; L69-P274 HydrophobicContact CD1-CB 4.39Å; W270-P274 WeakPolarHBondContact O-CD 3.26Å; I271-P274 WeakPolarHBondContact O-CD 3.37Å; P274-L277 PolarHBondContact O-N 3.37Å; P274-Y278 WeakPolarHBondContact O-CB 3.48Å; P274-Y278 PolarHBondContact O-N 3.13Å |
| 275 | V | 93.8 | Very high | 92 | Very high | 56 Ų | 56 | 55.7 Ų | 55.7 | 34% | 0.339 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 177.5 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | L69 F214 I271 L272 G273 Y278 A279 | L69-V275 HydrophobicContact CD1-CG2 3.92Å; F214-V275 HydrophobicContact CD1-CG2 4.12Å; F214-V275 HydrophobicContact CE1-CG2 4.48Å; F214-V275 HydrophobicContact CG-CG2 4.43Å; I271-V275 HydrophobicContact CB-CG2 4.4Å; I271-V275 VanDerWaalsContact O-CB 3.29Å; I271-V275 WeakPolarHBondContact O-CB 3.37Å; I271-V275 WeakPolarHBondContact O-CG2 3.17Å; I271-V275 PolarHBondContact O-N 2.92Å; L272-V275 PolarHBondContact O-N 3.19Å; G273-V275 PolarHBondContact O-N 3.46Å; V275-Y278 PolarHBondContact O-N 3.32Å; V275-A279 WeakPolarHBondContact O-CB 3.34Å; V275-A279 PolarHBondContact O-N 2.93Å |
| 276 | V | 94.2 | Very high | 91.9 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 175.3 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | L272 G273 Y278 A279 C280 | L272-V276 HydrophobicContact CD1-CG2 4.08Å; L272-V276 WeakPolarHBondContact O-CB 3.44Å; L272-V276 VanDerWaalsContact O-CG2 3.27Å; L272-V276 WeakPolarHBondContact O-CG2 3.19Å; L272-V276 PolarHBondContact O-N 3.01Å; G273-V276 PolarHBondContact O-N 3.26Å; V276-Y278 VanDerWaalsContact C-N 3.3Å; V276-Y278 PolarHBondContact O-N 3.43Å; V276-A279 WeakPolarHBondContact O-CB 3.42Å; V276-A279 PolarHBondContact O-N 2.81Å; V276-C280 PolarHBondContact O-N 3.47Å; V276-C280 PolarHBondContact O-SG 3.47Å; V276-C280 VanDerWaalsContact O-SG 3.38Å |
| 277 | L | 92.9 | Very high | 91.8 | Very high | 63 Ų | 63 | 67.7 Ų | 67.7 | 33% | 0.33 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 177.1 | -173.2 | 149.5 | 0 | 0 | 0 | 111.4 | L76 G273 P274 C280 E281 | L76-L277 HydrophobicContact CB-CD2 4.45Å; L76-L277 HydrophobicContact CD1-CD1 4.46Å; L76-L277 HydrophobicContact CD2-CD1 3.86Å; L76-L277 HydrophobicContact CD2-CD2 3.75Å; L76-L277 HydrophobicContact CD2-CG 4.41Å; G273-L277 WeakPolarHBondContact O-CB 3.32Å; G273-L277 PolarHBondContact O-N 2.93Å; P274-L277 PolarHBondContact O-N 3.37Å; L277-C280 WeakPolarHBondContact O-CB 3.35Å; L277-C280 PolarHBondContact O-N 3.09Å; L277-E281 PolarHBondContact O-N 2.7Å |
| 278 | Y | 93.3 | Very high | 91.4 | Very high | 18 Ų | 18 | 70 Ų | 70 | 7% | 0.071 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.9 | -32.6 | 178.8 | -178.3 | -103.3 | 0 | 0 | 0 | 112.5 | L69 I72 F210 P274 V275 V276 E281 R282 | L69-Y278 HydrophobicContact CD1-CG 4.45Å; L69-Y278 HydrophobicContact CD2-CG 4.46Å; I72-Y278 HydrophobicContact CD1-CD2 4.18Å; I72-Y278 HydrophobicContact CD1-CE2 3.52Å; I72-Y278 HydrophobicContact CG1-CD2 4.48Å; I72-Y278 HydrophobicContact CG1-CE2 4.15Å; F210-Y278 AromaticContact CE2-CE1 3.77Å; F210-Y278 HydrophobicContact CE2-CE1 3.77Å; F210-Y278 AromaticContact CZ-CE1 3.59Å; F210-Y278 HydrophobicContact CZ-CE1 3.59Å; F210-Y278 AromaticContact CZ-CZ 3.96Å; F210-Y278 WeakPolarHBondContact CZ-OH 3.31Å; P274-Y278 WeakPolarHBondContact O-CB 3.48Å; P274-Y278 PolarHBondContact O-N 3.13Å; V275-Y278 PolarHBondContact O-N 3.32Å; V276-Y278 VanDerWaalsContact C-N 3.3Å; V276-Y278 PolarHBondContact O-N 3.43Å; Y278-E281 WeakPolarHBondContact O-CB 3.1Å; Y278-E281 PolarHBondContact O-N 3.28Å; Y278-R282 HydrophobicContact CD1-CG 4.3Å; Y278-R282 HydrophobicContact CE1-CG 4.01Å; Y278-R282 VanDerWaalsContact CZ-NE 3.3Å; Y278-R282 WeakPolarHBondContact O-CG 3.21Å; Y278-R282 PolarHBondContact O-N 3.17Å; Y278-R282 PolarHBondContact OH-NE 3.43Å; Y278-R282 VanDerWaalsContact OH-NE 3.14Å; Y278-R282 PolarHBondContact OH-NH2 3.47Å |
| 279 | A | 92.7 | Very high | 91 | Very high | 45 Ų | 45 | 67.4 Ų | 67.4 | 37% | 0.372 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | V275 V276 E281 R282 I283 | V275-A279 WeakPolarHBondContact O-CB 3.34Å; V275-A279 PolarHBondContact O-N 2.93Å; V276-A279 WeakPolarHBondContact O-CB 3.42Å; V276-A279 PolarHBondContact O-N 2.81Å; A279-E281 PolarHBondContact O-N 3.24Å; A279-R282 PolarHBondContact O-N 3.32Å; A279-R282 VanDerWaalsContact O-N 3.1Å; A279-I283 WeakPolarHBondContact O-CG1 3.48Å; A279-I283 PolarHBondContact O-N 2.92Å |
| 280 | C | 93.1 | Very high | 90.5 | Very high | 66 Ų | 66 | 66.3 Ų | 66.3 | 45% | 0.446 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 172.9 | -66.2 | 0 | 0 | 0 | 0 | 112.1 | V276 L277 R282 I283 I284 | V276-C280 PolarHBondContact O-N 3.47Å; V276-C280 PolarHBondContact O-SG 3.47Å; V276-C280 VanDerWaalsContact O-SG 3.38Å; L277-C280 WeakPolarHBondContact O-CB 3.35Å; L277-C280 PolarHBondContact O-N 3.09Å; C280-R282 VanDerWaalsContact C-N 3.27Å; C280-R282 PolarHBondContact O-N 3.46Å; C280-I283 PolarHBondContact O-N 2.88Å; C280-I284 WeakPolarHBondContact O-CG1 3.48Å; C280-I284 PolarHBondContact O-N 3.35Å |
| 281 | E | 90.9 | Very high | 90 | Very high | 6 Ų | 6 | 68.4 Ų | 68.4 | 3% | 0.028 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.6 | -42.9 | 172.9 | 169.8 | 83.1 | -169.1 | 0 | 0 | 111.4 | R74 N75 L76 L277 Y278 A279 R285 | R74-E281 PolarHBondContact N-OE1 3.06Å; N75-E281 WeakPolarHBondContact CA-OE2 3.36Å; N75-E281 WeakPolarHBondContact CB-OE2 3.47Å; N75-E281 PolarHBondContact N-OE1 2.98Å; N75-E281 PolarHBondContact N-OE2 2.92Å; N75-E281 PolarHBondContact ND2-OE1 2.88Å; N75-E281 PolarHBondContact ND2-OE2 3.05Å; L76-E281 PolarHBondContact N-OE2 3.11Å; L277-E281 PolarHBondContact O-N 2.7Å; Y278-E281 WeakPolarHBondContact O-CB 3.1Å; Y278-E281 PolarHBondContact O-N 3.28Å; A279-E281 PolarHBondContact O-N 3.24Å; E281-R285 WeakPolarHBondContact O-CG 3.48Å; E281-R285 PolarHBondContact O-N 2.96Å; E281-R285 IonicContact OE1-CZ 4Å; E281-R285 IonicContact OE1-NE 3.92Å; E281-R285 PolarHBondContact OE1-NE 3.41Å; E281-R285 VanDerWaalsContact OE1-NE 3.1Å; E281-R285 IonicContact OE1-NH2 3.98Å; E281-R285 PolarHBondContact OE1-NH2 3.29Å |
| 282 | R | 90.4 | Very high | 89.5 | Confident | 100 Ų | 100 | 74.5 Ų | 74.5 | 38% | 0.377 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.9 | -38.4 | 179 | -68.6 | -63.3 | -178.6 | 167.2 | 1.3 | 113.1 | Y278 A279 C280 R285 F286 | Y278-R282 HydrophobicContact CD1-CG 4.3Å; Y278-R282 HydrophobicContact CE1-CG 4.01Å; Y278-R282 VanDerWaalsContact CZ-NE 3.3Å; Y278-R282 WeakPolarHBondContact O-CG 3.21Å; Y278-R282 PolarHBondContact O-N 3.17Å; Y278-R282 PolarHBondContact OH-NE 3.43Å; Y278-R282 VanDerWaalsContact OH-NE 3.14Å; Y278-R282 PolarHBondContact OH-NH2 3.47Å; A279-R282 PolarHBondContact O-N 3.32Å; A279-R282 VanDerWaalsContact O-N 3.1Å; C280-R282 VanDerWaalsContact C-N 3.27Å; C280-R282 PolarHBondContact O-N 3.46Å; R282-R285 PolarHBondContact O-N 3.09Å; R282-F286 WeakPolarHBondContact O-CB 3.2Å; R282-F286 PolarHBondContact O-N 2.81Å |
| 283 | I | 91 | Very high | 89.2 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.1 | -67.8 | 164.6 | 0 | 0 | 0 | 110.5 | A279 C280 R285 F286 W287 | A279-I283 WeakPolarHBondContact O-CG1 3.48Å; A279-I283 PolarHBondContact O-N 2.92Å; C280-I283 PolarHBondContact O-N 2.88Å; I283-R285 VanDerWaalsContact C-N 3.31Å; I283-R285 PolarHBondContact O-N 3.47Å; I283-F286 WeakPolarHBondContact O-CB 3.25Å; I283-F286 PolarHBondContact O-N 3.41Å; I283-W287 HydrophobicContact CG2-CD2 4.3Å; I283-W287 HydrophobicContact CG2-CZ2 3.97Å; I283-W287 PolarHBondContact O-N 3.46Å |
| 284 | I | 88.6 | Confident | 89 | Confident | 67 Ų | 67 | 71.1 Ų | 71.1 | 34% | 0.344 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 177.4 | -68 | 165.9 | 0 | 0 | 0 | 110.9 | C280 W287 R288 | C280-I284 WeakPolarHBondContact O-CG1 3.48Å; C280-I284 PolarHBondContact O-N 3.35Å; I284-W287 PolarHBondContact O-N 3.32Å; I284-R288 PolarHBondContact O-N 3.08Å; I284-R288 VanDerWaalsContact O-N 3.11Å |
| 285 | R | 87.3 | Confident | 88.8 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 177.8 | -68.8 | -175 | -169.1 | -158 | 9.3 | 112.3 | E281 R282 I283 W287 R288 F289 D386 | E281-R285 WeakPolarHBondContact O-CG 3.48Å; E281-R285 PolarHBondContact O-N 2.96Å; E281-R285 IonicContact OE1-CZ 4Å; E281-R285 IonicContact OE1-NE 3.92Å; E281-R285 PolarHBondContact OE1-NE 3.41Å; E281-R285 VanDerWaalsContact OE1-NE 3.1Å; E281-R285 IonicContact OE1-NH2 3.98Å; E281-R285 PolarHBondContact OE1-NH2 3.29Å; R282-R285 PolarHBondContact O-N 3.09Å; I283-R285 VanDerWaalsContact C-N 3.31Å; I283-R285 PolarHBondContact O-N 3.47Å; R285-W287 VanDerWaalsContact C-N 3.32Å; R285-W287 PolarHBondContact O-N 2.87Å; R285-R288 PolarHBondContact O-N 3.44Å; R285-F289 PolarHBondContact O-N 3.12Å; R285-D386 WeakPolarHBondContact CD-OD2 3.12Å; R285-D386 WeakPolarHBondContact CG-OD2 3.34Å; R285-D386 IonicContact NE-OD2 3.34Å |
| 286 | F | 87.2 | Confident | 88.5 | Confident | 125 Ų | 125 | 72.7 Ų | 72.7 | 55% | 0.548 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 175.8 | -178.7 | -101.6 | 0 | 0 | 0 | 111.6 | R282 I283 R288 F289 Q290 | R282-F286 WeakPolarHBondContact O-CB 3.2Å; R282-F286 PolarHBondContact O-N 2.81Å; I283-F286 WeakPolarHBondContact O-CB 3.25Å; I283-F286 PolarHBondContact O-N 3.41Å; F286-R288 PolarHBondContact O-N 3.42Å; F286-F289 WeakPolarHBondContact O-CB 3.38Å; F286-F289 PolarHBondContact O-N 3.11Å; F286-Q290 PolarHBondContact O-N 3.01Å |
| 287 | W | 86.5 | Confident | 88.1 | Confident | 183 Ų | 183 | 74.6 Ų | 74.6 | 69% | 0.693 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.1 | -38.8 | 175 | -67.9 | -4 | 0 | 0 | 0 | 112.8 | I283 I284 R285 Q290 | I283-W287 HydrophobicContact CG2-CD2 4.3Å; I283-W287 HydrophobicContact CG2-CZ2 3.97Å; I283-W287 PolarHBondContact O-N 3.46Å; I284-W287 PolarHBondContact O-N 3.32Å; R285-W287 VanDerWaalsContact C-N 3.32Å; R285-W287 PolarHBondContact O-N 2.87Å; W287-Q290 PolarHBondContact O-N 3.42Å |
| 288 | R | 83.6 | Confident | 87.9 | Confident | 61 Ų | 61 | 73.1 Ų | 73.1 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.7 | -36.6 | 174.8 | -70.6 | -177.7 | -169.4 | 157.2 | 2.9 | 113 | N75 I284 R285 F286 Q290 Q291 D386 | N75-R288 PolarHBondContact OD1-NH1 2.92Å; N75-R288 PolarHBondContact OD1-NH2 3.31Å; I284-R288 PolarHBondContact O-N 3.08Å; I284-R288 VanDerWaalsContact O-N 3.11Å; R285-R288 PolarHBondContact O-N 3.44Å; F286-R288 PolarHBondContact O-N 3.42Å; R288-Q290 PolarHBondContact O-N 3.08Å; R288-Q291 VanDerWaalsContact O-CB 3.23Å; R288-Q291 WeakPolarHBondContact O-CB 3.41Å; R288-Q291 WeakPolarHBondContact O-CG 3.06Å; R288-Q291 PolarHBondContact O-N 2.8Å; R288-D386 WeakPolarHBondContact CD-OD1 3.21Å; R288-D386 IonicContact NH1-OD1 3.17Å; R288-D386 PolarHBondContact NH1-OD1 3.11Å; R288-D386 VanDerWaalsContact NH1-OD1 3.15Å |
| 289 | F | 83.1 | Confident | 87.5 | Confident | 57 Ų | 57 | 74 Ų | 74 | 25% | 0.25 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.9 | -30.1 | 176 | 174.7 | -105.6 | 0 | 0 | 0 | 113 | R285 F286 Q291 W335 R382 A384 | R285-F289 PolarHBondContact O-N 3.12Å; F286-F289 WeakPolarHBondContact O-CB 3.38Å; F286-F289 PolarHBondContact O-N 3.11Å; F289-Q291 PolarHBondContact O-N 2.92Å; F289-W335 AromaticContact CD2-CH2 3.64Å; F289-W335 HydrophobicContact CD2-CH2 3.64Å; F289-W335 AromaticContact CD2-CZ2 3.43Å; F289-W335 HydrophobicContact CD2-CZ2 3.43Å; F289-W335 VanDerWaalsContact CD2-CZ2 3.43Å; F289-W335 HydrophobicContact CE2-CH2 4.35Å; F289-W335 AromaticContact CE2-CZ2 3.96Å; F289-W335 HydrophobicContact CE2-CZ2 3.96Å; F289-W335 HydrophobicContact CG-CZ2 4.36Å; F289-R382 PolarHBondContact O-NH2 3.47Å; F289-A384 HydrophobicContact CD2-CB 3.56Å; F289-A384 HydrophobicContact CE2-CB 3.61Å |
| 290 | Q | 82.8 | Confident | 87 | Confident | 107 Ų | 107 | 75.1 Ų | 75.1 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -7.7 | 176.7 | -61.1 | -62.7 | -27.4 | 0 | 0 | 113.4 | F286 W287 R288 E292 | F286-Q290 PolarHBondContact O-N 3.01Å; W287-Q290 PolarHBondContact O-N 3.42Å; R288-Q290 PolarHBondContact O-N 3.08Å; Q290-E292 PolarHBondContact O-N 3.4Å |
| 291 | Q | 83.4 | Confident | 86.4 | Confident | 116 Ų | 116 | 73.8 Ų | 73.8 | 54% | 0.542 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -70.4 | 132 | 178.2 | -64.7 | -179.7 | -22.3 | 0 | 0 | 110.6 | R288 F289 V293 | R288-Q291 VanDerWaalsContact O-CB 3.23Å; R288-Q291 WeakPolarHBondContact O-CB 3.41Å; R288-Q291 WeakPolarHBondContact O-CG 3.06Å; R288-Q291 PolarHBondContact O-N 2.8Å; F289-Q291 PolarHBondContact O-N 2.92Å; Q291-V293 PolarHBondContact O-N 3.42Å |
| 292 | E | 84.1 | Confident | 85.6 | Confident | 135 Ų | 135 | 76 Ų | 76 | 63% | 0.631 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 121.2 | 175.7 | -172.4 | -168.4 | -152.7 | 0 | 0 | 110.3 | Q290 V294 R313 | Q290-E292 PolarHBondContact O-N 3.4Å; E292-V294 HydrophobicContact CG-CG2 4.43Å; E292-R313 IonicContact OE2-CZ 3.63Å; E292-R313 IonicContact OE2-NH1 2.72Å; E292-R313 PolarHBondContact OE2-NH1 3.39Å; E292-R313 IonicContact OE2-NH2 2.88Å |
| 293 | V | 87.6 | Confident | 84.9 | Confident | 26 Ų | 26 | 72.5 Ų | 72.5 | 16% | 0.158 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -101 | 117.1 | 175 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | Q291 M310 F349 V385 | Q291-V293 PolarHBondContact O-N 3.42Å; V293-M310 HydrophobicContact CG1-CB 4.05Å; V293-M310 HydrophobicContact CG1-CG 3.73Å; V293-M310 HydrophobicContact CG1-SD 3.7Å; V293-F349 HydrophobicContact CG1-CZ 4.48Å; V293-V385 HydrophobicContact CG1-CG2 4.09Å; V293-V385 HydrophobicContact CG2-CB 3.86Å; V293-V385 HydrophobicContact CG2-CG2 3.77Å |
| 294 | V | 88.9 | Confident | 84.2 | Confident | 46 Ų | 46 | 70.2 Ų | 70.2 | 28% | 0.279 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -97.8 | 117.5 | 178 | -178 | 0 | 0 | 0 | 0 | 109 | E292 M310 K311 | E292-V294 HydrophobicContact CG-CG2 4.43Å; V294-M310 WeakPolarHBondContact O-CA 3.4Å; V294-K311 HydrophobicContact CB-CB 4.19Å; V294-K311 PolarHBondContact O-N 3.14Å |
| 295 | I | 89.3 | Confident | 84 | Confident | 25 Ų | 25 | 67.4 Ų | 67.4 | 13% | 0.128 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.7 | 172.4 | -61.3 | 145.7 | 0 | 0 | 0 | 108.1 | V298 H309 F367 L380 L383 | I295-V298 HydrophobicContact CG2-CG2 3.89Å; I295-H309 CarbonylContact C-O 3.55Å; I295-H309 WeakPolarHBondContact CA-O 3.36Å; I295-F367 HydrophobicContact CD1-CE1 3.61Å; I295-F367 HydrophobicContact CD1-CZ 3.97Å; I295-F367 HydrophobicContact CG1-CE1 4.43Å; I295-L380 HydrophobicContact CB-CD1 4.32Å; I295-L380 HydrophobicContact CD1-CB 4.16Å; I295-L380 HydrophobicContact CD1-CD1 4.38Å; I295-L380 HydrophobicContact CG2-CD1 3.91Å; I295-L383 HydrophobicContact CD1-CD1 4.06Å; I295-L383 HydrophobicContact CD1-CG 4.28Å; I295-L383 HydrophobicContact CG1-CD1 4.19Å |
| 296 | T | 87.2 | Confident | 84 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -33.3 | -179.1 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | H309 K311 | T296-H309 PolarHBondContact N-O 3.3Å; T296-H309 VanDerWaalsContact OG1-CB 3.24Å; T296-H309 WeakPolarHBondContact OG1-CB 3.44Å; T296-H309 PolarHBondContact OG1-O 2.79Å; T296-K311 HydrophobicContact CG2-CB 3.93Å |
| 297 | K | 87.1 | Confident | 84 | Confident | 120 Ų | 120 | 60.9 Ų | 60.9 | 52% | 0.522 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 144.7 | -177.4 | -167.2 | 179.2 | -177.8 | -174.4 | 0 | 110.4 | V299 H309 | K297-V299 HydrophobicContact CD-CG2 3.87Å; K297-V299 HydrophobicContact CG-CG2 3.95Å; K297-H309 HydrophobicContact CB-CB 3.91Å; K297-H309 PolarHBondContact O-N 3.22Å |
| 298 | V | 87.4 | Confident | 84.3 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.4 | 171.2 | -178.1 | 0 | 0 | 0 | 0 | 107.1 | I295 V306 E307 L308 F367 L380 | I295-V298 HydrophobicContact CG2-CG2 3.89Å; V298-V306 HydrophobicContact CG1-CG1 3.75Å; V298-E307 WeakPolarHBondContact CA-O 3.46Å; V298-L308 HydrophobicContact CB-CD2 4.41Å; V298-L308 HydrophobicContact CG1-CD2 3.97Å; V298-L308 HydrophobicContact CG2-CD2 3.9Å; V298-F367 HydrophobicContact CG1-CB 4.36Å; V298-F367 HydrophobicContact CG2-CD1 3.94Å; V298-L380 HydrophobicContact CG2-CD1 4.04Å |
| 299 | V | 85.3 | Confident | 84.7 | Confident | 35 Ų | 35 | 50.4 Ų | 50.4 | 21% | 0.212 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 121.3 | 180 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | K297 V306 E307 | K297-V299 HydrophobicContact CD-CG2 3.87Å; K297-V299 HydrophobicContact CG-CG2 3.95Å; V299-V306 WeakPolarHBondContact O-CA 3.41Å; V299-E307 HydrophobicContact CB-CB 4.23Å; V299-E307 PolarHBondContact N-O 3.01Å; V299-E307 PolarHBondContact O-N 3.32Å |
| 300 | S | 82.7 | Confident | 85.1 | Confident | 69 Ų | 69 | 47.7 Ų | 47.7 | 48% | 0.483 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 127.1 | 172.9 | -59.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 301 | H | 79.8 | Confident | 85.5 | Confident | 39 Ų | 39 | 48 Ų | 48 | 18% | 0.181 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 155.6 | 176.8 | -68.6 | -76.8 | 0 | 0 | 0 | 110.3 | V305 E307 H352 W451 | H301-V305 WeakPolarHBondContact CA-O 3.35Å; H301-V305 HydrophobicContact CB-CB 4.06Å; H301-V305 HydrophobicContact CB-CG1 4.4Å; H301-V305 WeakPolarHBondContact CB-O 3.38Å; H301-V305 PolarHBondContact N-O 3.23Å; H301-V305 PolarHBondContact O-N 2.87Å; H301-E307 IonicContact CE1-OE2 3.82Å; H301-E307 IonicContact NE2-OE2 3.04Å; H301-E307 PolarHBondContact NE2-OE2 3.41Å; H301-H352 AromaticContact NE2-NE2 3.74Å; H301-W451 HydrophobicContact CB-CB 4.46Å; H301-W451 WeakPolarHBondContact ND1-CB 3.43Å |
| 302 | P | 75.4 | Confident | 85.8 | Confident | 51 Ų | 51 | 45 Ų | 45 | 33% | 0.331 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 158.9 | 171.5 | -23.5 | 31.3 | 0 | 0 | 0 | 112.8 | G304 E450 | P302-G304 VanDerWaalsContact C-N 3.32Å; P302-G304 PolarHBondContact O-N 3.1Å; P302-E450 HydrophobicContact CG-CB 4.49Å; P302-E450 WeakPolarHBondContact CG-OE2 3.32Å |
| 303 | S | 74.4 | Confident | 85.8 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 25 | -179.9 | -46.3 | 0 | 0 | 0 | 0 | 115.5 | R447 | S303-R447 WeakPolarHBondContact OG-CB 3.31Š|
| 304 | G | 77.3 | Confident | 85.5 | Confident | 39 Ų | 39 | 47.9 Ų | 47.9 | 40% | 0.402 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 46.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P302 R354 A355 L364 | P302-G304 VanDerWaalsContact C-N 3.32Å; P302-G304 PolarHBondContact O-N 3.1Å; G304-R354 WeakPolarHBondContact O-CA 3.37Å; G304-A355 PolarHBondContact O-N 2.97Å; G304-A355 VanDerWaalsContact O-N 3.12Å; G304-L364 VanDerWaalsContact O-CD2 3.3Å; G304-L364 WeakPolarHBondContact O-CD2 3.39Å |
| 305 | V | 82.9 | Confident | 85.3 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 132.2 | 177 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | H301 H352 I353 R354 | H301-V305 WeakPolarHBondContact CA-O 3.35Å; H301-V305 HydrophobicContact CB-CB 4.06Å; H301-V305 HydrophobicContact CB-CG1 4.4Å; H301-V305 WeakPolarHBondContact CB-O 3.38Å; H301-V305 PolarHBondContact N-O 3.23Å; H301-V305 PolarHBondContact O-N 2.87Å; V305-H352 HydrophobicContact CG1-CB 4.12Å; V305-I353 CarbonylContact C-O 3.57Å; V305-I353 VanDerWaalsContact CA-O 3.3Å; V305-I353 WeakPolarHBondContact CA-O 3.32Å; V305-R354 HydrophobicContact CG2-CB 4.03Å; V305-R354 HydrophobicContact CG2-CG 4.03Å |
| 306 | V | 87.3 | Confident | 85.2 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.024 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.6 | 171.8 | 169.6 | 0 | 0 | 0 | 0 | 109.4 | V298 V299 L308 H352 I353 L364 A369 | V298-V306 HydrophobicContact CG1-CG1 3.75Å; V299-V306 WeakPolarHBondContact O-CA 3.41Å; V306-L308 HydrophobicContact CG1-CD2 3.75Å; V306-L308 HydrophobicContact CG1-CG 4.16Å; V306-H352 WeakPolarHBondContact O-CA 3.34Å; V306-I353 PolarHBondContact N-O 2.82Å; V306-I353 PolarHBondContact O-N 2.97Å; V306-L364 HydrophobicContact CB-CD1 4.4Å; V306-L364 HydrophobicContact CB-CG 4.13Å; V306-L364 HydrophobicContact CG2-CD1 4.47Å; V306-L364 HydrophobicContact CG2-CD2 4.07Å; V306-L364 HydrophobicContact CG2-CG 3.68Å; V306-A369 HydrophobicContact CG2-CB 3.55Å |
| 307 | E | 88.8 | Confident | 85.2 | Confident | 21 Ų | 21 | 52 Ų | 52 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123.8 | 170.4 | 178.1 | -177.2 | -165.9 | 0 | 0 | 109.8 | V298 V299 H301 H309 S350 V351 H352 | V298-E307 WeakPolarHBondContact CA-O 3.46Å; V299-E307 HydrophobicContact CB-CB 4.23Å; V299-E307 PolarHBondContact N-O 3.01Å; V299-E307 PolarHBondContact O-N 3.32Å; H301-E307 IonicContact CE1-OE2 3.82Å; H301-E307 IonicContact NE2-OE2 3.04Å; H301-E307 PolarHBondContact NE2-OE2 3.41Å; E307-H309 IonicContact OE1-CD2 3.46Å; E307-H309 PolarHBondContact OE1-CD2 3.48Å; E307-H309 IonicContact OE1-CE1 3.87Å; E307-H309 IonicContact OE1-NE2 2.75Å; E307-H309 PolarHBondContact OE1-NE2 3.4Å; E307-H309 IonicContact OE2-NE2 3.67Å; E307-S350 PolarHBondContact OE1-OG 3.44Å; E307-V351 WeakPolarHBondContact CA-O 3.5Å; E307-H352 VanDerWaalsContact CG-CE1 3.44Å; E307-H352 WeakPolarHBondContact CG-CE1 3.33Å; E307-H352 IonicContact OE1-CE1 3.29Å; E307-H352 PolarHBondContact OE1-CE1 2.99Å; E307-H352 VanDerWaalsContact OE1-CE1 3.29Å; E307-H352 IonicContact OE1-NE2 3.93Å; E307-H352 IonicContact OE2-CE1 3.8Å; E307-H352 IonicContact OE2-NE2 3.66Å |
| 308 | L | 91.1 | Very high | 85.1 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.5 | 177.6 | -61.2 | 178.2 | 0 | 0 | 0 | 109.6 | V298 V306 S350 V351 I353 F367 L383 | V298-L308 HydrophobicContact CB-CD2 4.41Å; V298-L308 HydrophobicContact CG1-CD2 3.97Å; V298-L308 HydrophobicContact CG2-CD2 3.9Å; V306-L308 HydrophobicContact CG1-CD2 3.75Å; V306-L308 HydrophobicContact CG1-CG 4.16Å; L308-S350 WeakPolarHBondContact O-CA 3.44Å; L308-S350 VanDerWaalsContact O-CB 3.26Å; L308-S350 WeakPolarHBondContact O-CB 3.35Å; L308-V351 HydrophobicContact CB-CG2 4.09Å; L308-V351 HydrophobicContact CD1-CG2 4.46Å; L308-V351 PolarHBondContact N-O 3.04Å; L308-V351 PolarHBondContact O-N 2.54Å; L308-I353 HydrophobicContact CD1-CD1 3.81Å; L308-F367 HydrophobicContact CD1-CE1 4.41Å; L308-F367 HydrophobicContact CD2-CD1 3.5Å; L308-F367 VanDerWaalsContact CD2-CD1 3.5Å; L308-F367 HydrophobicContact CD2-CE1 3.82Å; L308-F367 HydrophobicContact CD2-CG 4.12Å; L308-L383 HydrophobicContact CD1-CD1 4.03Å |
| 309 | H | 91.9 | Very high | 85.1 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 10% | 0.102 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.1 | 173.1 | -67 | -167.4 | 0 | 0 | 0 | 109.9 | I295 T296 K297 E307 F348 S350 | I295-H309 CarbonylContact C-O 3.55Å; I295-H309 WeakPolarHBondContact CA-O 3.36Å; T296-H309 PolarHBondContact N-O 3.3Å; T296-H309 VanDerWaalsContact OG1-CB 3.24Å; T296-H309 WeakPolarHBondContact OG1-CB 3.44Å; T296-H309 PolarHBondContact OG1-O 2.79Å; K297-H309 HydrophobicContact CB-CB 3.91Å; K297-H309 PolarHBondContact O-N 3.22Å; E307-H309 IonicContact OE1-CD2 3.46Å; E307-H309 PolarHBondContact OE1-CD2 3.48Å; E307-H309 IonicContact OE1-CE1 3.87Å; E307-H309 IonicContact OE1-NE2 2.75Å; E307-H309 PolarHBondContact OE1-NE2 3.4Å; E307-H309 IonicContact OE2-NE2 3.67Å; H309-F348 HydrophobicContact CB-CD2 4.14Å; H309-F348 AromaticContact CD2-CE2 3.93Å; H309-F348 AromaticContact CE1-CE2 3.57Å; H309-F348 AromaticContact CE1-CZ 3.77Å; H309-F348 AromaticContact CG-CD2 3.83Å; H309-F348 AromaticContact CG-CE2 3.93Å; H309-F348 AromaticContact ND1-CD2 3.88Å; H309-F348 AromaticContact ND1-CE2 3.73Å; H309-F348 AromaticContact NE2-CE2 3.7Å; H309-S350 VanDerWaalsContact CD2-CB 3.5Å; H309-S350 WeakPolarHBondContact CD2-CB 3.11Å |
| 310 | M | 92.4 | Very high | 85 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.2 | -178.5 | -67.7 | 163.1 | -80 | 0 | 0 | 110.5 | V293 V294 K312 I323 F348 F349 V351 V385 | V293-M310 HydrophobicContact CG1-CB 4.05Å; V293-M310 HydrophobicContact CG1-CG 3.73Å; V293-M310 HydrophobicContact CG1-SD 3.7Å; V294-M310 WeakPolarHBondContact O-CA 3.4Å; M310-K312 PolarHBondContact O-N 3.44Å; M310-I323 HydrophobicContact CE-CD1 4.23Å; M310-F348 WeakPolarHBondContact O-CA 3.39Å; M310-F348 WeakPolarHBondContact O-CB 3.23Å; M310-F349 HydrophobicContact CB-CD1 4.13Å; M310-F349 HydrophobicContact CB-CD2 4.08Å; M310-F349 HydrophobicContact CB-CE1 3.66Å; M310-F349 HydrophobicContact CB-CE2 3.62Å; M310-F349 HydrophobicContact CB-CG 4.33Å; M310-F349 HydrophobicContact CB-CZ 3.39Å; M310-F349 HydrophobicContact CE-CD2 3.7Å; M310-F349 HydrophobicContact CE-CE2 3.43Å; M310-F349 VanDerWaalsContact CE-CE2 3.43Å; M310-F349 HydrophobicContact CE-CZ 4.36Å; M310-F349 HydrophobicContact CG-CE2 4.17Å; M310-F349 HydrophobicContact CG-CZ 4.22Å; M310-F349 PolarHBondContact N-O 2.87Å; M310-F349 WeakPolarHBondContact O-CD1 3.31Å; M310-F349 PolarHBondContact O-N 3.28Å; M310-F349 HydrophobicContact SD-CD2 4.32Å; M310-F349 HydrophobicContact SD-CE2 3.48Å; M310-F349 WeakPolarHBondContact SD-CE2 3.42Å; M310-F349 HydrophobicContact SD-CZ 3.89Å; M310-V351 HydrophobicContact CE-CG1 4.34Å; M310-V351 HydrophobicContact CE-CG2 3.91Å; M310-V385 HydrophobicContact SD-CG2 4Å |
| 311 | K | 91.4 | Very high | 85.3 | Confident | 112 Ų | 112 | 43.1 Ų | 43.1 | 49% | 0.487 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 128.2 | -178.1 | -170.3 | 169.2 | -174.9 | 166.3 | 0 | 111.4 | V294 T296 R313 F349 | V294-K311 HydrophobicContact CB-CB 4.19Å; V294-K311 PolarHBondContact O-N 3.14Å; T296-K311 HydrophobicContact CG2-CB 3.93Å; K311-R313 HydrophobicContact CD-CG 4.47Å; K311-R313 HydrophobicContact CG-CG 4.29Å; K311-R313 PolarHBondContact O-N 3.05Å; K311-F349 WeakPolarHBondContact O-CE1 3.41Å |
| 312 | K | 88.7 | Confident | 85.7 | Confident | 54 Ų | 54 | 43 Ų | 43 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | trans | -86.2 | 86.8 | -179.6 | -166.5 | -174.2 | 179.4 | -171 | 0 | 111.5 | M310 G314 F315 P344 E346 D347 F349 | M310-K312 PolarHBondContact O-N 3.44Å; K312-G314 PolarHBondContact O-N 3.28Å; K312-F315 WeakPolarHBondContact CE-O 3.39Å; K312-F315 HydrophobicContact CG-CB 3.96Å; K312-F315 HydrophobicContact CG-CD1 4.47Å; K312-F315 WeakPolarHBondContact CG-O 3.36Å; K312-P344 PolarHBondContact NZ-O 3.42Å; K312-E346 WeakPolarHBondContact CD-O 3.5Å; K312-E346 PolarHBondContact NZ-O 3.44Å; K312-D347 WeakPolarHBondContact CB-O 3.44Å; K312-F349 HydrophobicContact CB-CD1 4.2Å | ||
| 313 | R | 84.5 | Confident | 86.5 | Confident | 145 Ų | 145 | 40.5 Ų | 40.5 | 55% | 0.547 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -90.9 | 86.6 | 176 | -68.9 | -178.4 | 177.4 | 167.2 | -0.5 | 111.3 | E292 K311 F315 | E292-R313 IonicContact OE2-CZ 3.63Å; E292-R313 IonicContact OE2-NH1 2.72Å; E292-R313 PolarHBondContact OE2-NH1 3.39Å; E292-R313 IonicContact OE2-NH2 2.88Å; K311-R313 HydrophobicContact CD-CG 4.47Å; K311-R313 HydrophobicContact CG-CG 4.29Å; K311-R313 PolarHBondContact O-N 3.05Å; R313-F315 PolarHBondContact O-N 3.02Å; R313-F315 VanDerWaalsContact O-N 3.12Å |
| 314 | G | 81.4 | Confident | 87.2 | Confident | 77 Ų | 77 | 39.8 Ų | 39.8 | 79% | 0.794 | 21% | 0.211 | S | C | * | . | S | Bend | trans | 68.8 | 7.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K312 K316 | K312-G314 PolarHBondContact O-N 3.28Å; G314-K316 PolarHBondContact O-N 2.97Å |
| 315 | F | 85.3 | Confident | 87.9 | Confident | 29 Ų | 29 | 38 Ų | 38 | 13% | 0.127 | 19% | 0.193 | C | C | . | . | trans | -74.3 | 115.8 | 177.7 | -176.8 | -102.5 | 0 | 0 | 0 | 110.5 | K312 R313 M317 I323 L340 F349 P388 | K312-F315 WeakPolarHBondContact CE-O 3.39Å; K312-F315 HydrophobicContact CG-CB 3.96Å; K312-F315 HydrophobicContact CG-CD1 4.47Å; K312-F315 WeakPolarHBondContact CG-O 3.36Å; R313-F315 PolarHBondContact O-N 3.02Å; R313-F315 VanDerWaalsContact O-N 3.12Å; F315-M317 HydrophobicContact CD1-CB 4.24Å; F315-M317 HydrophobicContact CD1-SD 4.38Å; F315-M317 HydrophobicContact CE1-CB 3.78Å; F315-M317 HydrophobicContact CE1-CG 4.39Å; F315-M317 HydrophobicContact CE1-SD 4.07Å; F315-I323 HydrophobicContact CE2-CG2 4.5Å; F315-I323 HydrophobicContact CZ-CG2 3.79Å; F315-L340 HydrophobicContact CE1-CD1 4.04Å; F315-L340 HydrophobicContact CZ-CD1 4.25Å; F315-F349 HydrophobicContact CD1-CB 4.39Å; F315-F349 AromaticContact CD1-CD1 3.91Å; F315-F349 HydrophobicContact CD1-CD1 3.91Å; F315-F349 HydrophobicContact CD1-CE1 4.33Å; F315-F349 HydrophobicContact CD1-CG 4.09Å; F315-F349 HydrophobicContact CE1-CB 4.33Å; F315-F349 HydrophobicContact CE1-CD1 4.33Å; F315-F349 HydrophobicContact CE1-CD2 4.3Å; F315-F349 HydrophobicContact CE1-CG 4.08Å; F315-F349 HydrophobicContact CG-CD1 4.47Å; F315-P388 HydrophobicContact CE1-CG 4.43Å; F315-P388 HydrophobicContact CE2-CB 4.42Å; F315-P388 VanDerWaalsContact CE2-CD 3.43Å; F315-P388 HydrophobicContact CE2-CG 4.07Å; F315-P388 HydrophobicContact CZ-CB 3.83Å; F315-P388 HydrophobicContact CZ-CG 3.8Å | ||
| 316 | K | 86.1 | Confident | 88.3 | Confident | 187 Ų | 187 | 37.9 Ų | 37.9 | 81% | 0.813 | 19% | 0.191 | S | C | * | . | trans | -100.3 | 118.5 | 179 | -66.4 | -176.2 | -179.1 | -179.3 | 0 | 109.6 | G314 P388 | G314-K316 PolarHBondContact O-N 2.97Å; K316-P388 WeakPolarHBondContact O-CG 3.37Å | ||
| 317 | M | 87.8 | Confident | 88.5 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 9% | 0.089 | 19% | 0.19 | C | C | . | . | trans | -124.8 | 158.7 | 179.8 | 68.3 | -172 | -176.9 | 0 | 0 | 112.1 | F315 L340 S342 A343 P344 F349 P388 | F315-M317 HydrophobicContact CD1-CB 4.24Å; F315-M317 HydrophobicContact CD1-SD 4.38Å; F315-M317 HydrophobicContact CE1-CB 3.78Å; F315-M317 HydrophobicContact CE1-CG 4.39Å; F315-M317 HydrophobicContact CE1-SD 4.07Å; M317-L340 HydrophobicContact CB-CD1 3.7Å; M317-L340 HydrophobicContact CG-CD1 4.35Å; M317-L340 HydrophobicContact SD-CD1 3.87Å; M317-S342 WeakPolarHBondContact CE-OG 3.25Å; M317-A343 VanDerWaalsContact CE-C 3.42Å; M317-A343 WeakPolarHBondContact CE-O 3.3Å; M317-P344 HydrophobicContact CG-CB 4.47Å; M317-P344 WeakPolarHBondContact O-CB 3.42Å; M317-P344 WeakPolarHBondContact O-CG 3.38Å; M317-F349 HydrophobicContact CE-CB 4.03Å; M317-F349 HydrophobicContact SD-CB 3.6Å; M317-P388 HydrophobicContact CB-CG 4.4Å | ||
| 318 | A | 86.3 | Confident | 88.3 | Confident | 31 Ų | 31 | 39.8 Ų | 39.8 | 26% | 0.256 | 21% | 0.207 | S | C | . | . | trans | -123.2 | 156.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | G320 Q321 T394 | A318-G320 PolarHBondContact O-N 3.1Å; A318-Q321 HydrophobicContact CB-CG 4.1Å; A318-Q321 WeakPolarHBondContact O-CB 3.45Å; A318-Q321 WeakPolarHBondContact O-CG 3.29Å; A318-Q321 PolarHBondContact O-N 3.46Å; A318-T394 HydrophobicContact CB-CG2 4Å | ||
| 319 | P | 87.1 | Confident | 88.1 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 139.1 | -176.9 | -19.7 | 33.5 | 0 | 0 | 0 | 111.8 | Q321 P344 F397 A416 L417 S420 | P319-Q321 PolarHBondContact O-N 3.36Å; P319-P344 HydrophobicContact CG-CG 3.86Å; P319-F397 HydrophobicContact CG-CE2 4.36Å; P319-A416 HydrophobicContact CB-CB 4.38Å; P319-L417 HydrophobicContact CB-CB 4.34Å; P319-L417 HydrophobicContact CB-CD1 4.41Å; P319-S420 VanDerWaalsContact CG-CB 3.4Å; P319-S420 WeakPolarHBondContact CG-OG 3.37Å |
| 320 | G | 83.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -10.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A318 A391 | A318-G320 PolarHBondContact O-N 3.1Å; G320-A391 VanDerWaalsContact C-CB 3.44Å; G320-A391 WeakPolarHBondContact O-CB 3.38Å |
| 321 | Q | 87.9 | Confident | 87.5 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | trans | -60.4 | 154.2 | 171.3 | -69.8 | -169.2 | -55 | 0 | 0 | 111 | A318 P319 L340 P388 F389 T394 | A318-Q321 HydrophobicContact CB-CG 4.1Å; A318-Q321 WeakPolarHBondContact O-CB 3.45Å; A318-Q321 WeakPolarHBondContact O-CG 3.29Å; A318-Q321 PolarHBondContact O-N 3.46Å; P319-Q321 PolarHBondContact O-N 3.36Å; Q321-L340 HydrophobicContact CB-CD1 4.24Å; Q321-L340 WeakPolarHBondContact O-CB 3.42Å; Q321-L340 WeakPolarHBondContact O-CG 3.31Å; Q321-L340 PolarHBondContact O-N 3.06Å; Q321-P388 HydrophobicContact CB-CB 4.06Å; Q321-F389 WeakPolarHBondContact CA-O 3.21Å; Q321-F389 WeakPolarHBondContact CB-O 3.19Å; Q321-F389 VanDerWaalsContact CG-O 3.25Å; Q321-F389 WeakPolarHBondContact CG-O 3.29Å; Q321-T394 HydrophobicContact CG-CG2 4.36Å | ||
| 322 | Y | 88.6 | Confident | 87 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 160.5 | 177.7 | 71.4 | -85.8 | 0 | 0 | 0 | 110.9 | P337 F338 F389 F568 | Y322-P337 HydrophobicContact CD2-CB 3.95Å; Y322-P337 HydrophobicContact CE2-CB 4.2Å; Y322-F338 CarbonylContact C-O 3.53Å; Y322-F338 VanDerWaalsContact CA-O 3.3Å; Y322-F338 WeakPolarHBondContact CA-O 3.45Å; Y322-F338 WeakPolarHBondContact CB-O 3.26Å; Y322-F389 HydrophobicContact CD1-CB 4.15Å; Y322-F389 HydrophobicContact CD2-CB 4.42Å; Y322-F389 HydrophobicContact CD2-CD2 4.17Å; Y322-F389 HydrophobicContact CE1-CB 3.63Å; Y322-F389 HydrophobicContact CE2-CB 3.94Å; Y322-F389 AromaticContact CE2-CD2 3.69Å; Y322-F389 HydrophobicContact CE2-CD2 3.69Å; Y322-F389 HydrophobicContact CE2-CG 4.16Å; Y322-F389 PolarHBondContact N-O 3.43Å; Y322-F389 PolarHBondContact O-N 3.27Å; Y322-F568 HydrophobicContact CD1-CD1 4.15Å; Y322-F568 AromaticContact CD1-CE1 3.98Å; Y322-F568 HydrophobicContact CD1-CE1 3.98Å; Y322-F568 HydrophobicContact CG-CD1 4.12Å; Y322-F568 HydrophobicContact CG-CE1 4.11Å |
| 323 | I | 91.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 157.1 | 174 | 57.1 | 169.3 | 0 | 0 | 0 | 109.4 | M310 F315 V325 P337 F338 L340 F349 V351 V385 D386 P388 | M310-I323 HydrophobicContact CE-CD1 4.23Å; F315-I323 HydrophobicContact CE2-CG2 4.5Å; F315-I323 HydrophobicContact CZ-CG2 3.79Å; I323-V325 HydrophobicContact CD1-CG2 3.82Å; I323-V325 HydrophobicContact CG1-CG2 4.09Å; I323-P337 CarbonylContact O-C 3.59Å; I323-P337 WeakPolarHBondContact O-CA 3.5Å; I323-F338 PolarHBondContact N-O 3.15Å; I323-F338 PolarHBondContact O-N 3.5Å; I323-L340 HydrophobicContact CD1-CD2 4.05Å; I323-L340 HydrophobicContact CG1-CD2 4.12Å; I323-L340 HydrophobicContact CG2-CD1 4.15Å; I323-L340 HydrophobicContact CG2-CD2 3.92Å; I323-L340 HydrophobicContact CG2-CG 4.15Å; I323-F349 HydrophobicContact CD1-CD2 4.34Å; I323-F349 HydrophobicContact CD1-CE2 4.01Å; I323-V351 HydrophobicContact CD1-CG1 3.71Å; I323-V351 HydrophobicContact CG1-CG1 3.93Å; I323-V385 HydrophobicContact CB-CG1 3.98Å; I323-V385 HydrophobicContact CD1-CG1 3.8Å; I323-V385 HydrophobicContact CD1-CG2 4.18Å; I323-V385 HydrophobicContact CG1-CG1 4.48Å; I323-V385 HydrophobicContact CG2-CG1 4.04Å; I323-D386 CarbonylContact C-O 3.16Å; I323-D386 WeakPolarHBondContact CA-O 3.29Å; I323-P388 HydrophobicContact CG2-CB 4.5Å |
| 324 | L | 90.6 | Very high | 86.5 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.3 | 164.2 | -66.2 | 169.5 | 0 | 0 | 0 | 108.2 | W335 H336 P337 V385 D386 F389 | L324-W335 HydrophobicContact CB-CB 4.32Å; L324-W335 HydrophobicContact CB-CD2 4.48Å; L324-W335 HydrophobicContact CB-CE3 3.68Å; L324-W335 HydrophobicContact CB-CZ3 4.39Å; L324-W335 HydrophobicContact CD1-CB 4.49Å; L324-W335 HydrophobicContact CD2-CB 4.45Å; L324-H336 WeakPolarHBondContact CA-O 3.3Å; L324-P337 HydrophobicContact CD2-CB 3.87Å; L324-V385 WeakPolarHBondContact O-CA 3.38Å; L324-D386 HydrophobicContact CB-CB 4.33Å; L324-D386 PolarHBondContact N-O 3.31Å; L324-D386 PolarHBondContact O-N 3.42Å; L324-F389 HydrophobicContact CD1-CE2 3.83Å; L324-F389 HydrophobicContact CD1-CZ 4.33Å; L324-F389 HydrophobicContact CG-CD2 4.5Å; L324-F389 HydrophobicContact CG-CE2 3.89Å |
| 325 | V | 91.5 | Very high | 86.7 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.7 | 176.9 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | I323 H336 F338 W359 L383 A384 | I323-V325 HydrophobicContact CD1-CG2 3.82Å; I323-V325 HydrophobicContact CG1-CG2 4.09Å; V325-H336 PolarHBondContact N-O 3.14Å; V325-H336 PolarHBondContact O-N 3.31Å; V325-F338 HydrophobicContact CB-CD2 3.89Å; V325-F338 HydrophobicContact CB-CE2 4.16Å; V325-F338 HydrophobicContact CG2-CD2 3.79Å; V325-W359 HydrophobicContact CG1-CH2 4.38Å; V325-L383 HydrophobicContact CG1-CD1 4.43Å; V325-L383 HydrophobicContact CG1-CD2 3.88Å; V325-A384 WeakPolarHBondContact CA-O 3.26Å |
| 326 | Q | 91.9 | Very high | 86.8 | Confident | 5 Ų | 5 | 40 Ų | 40 | 2% | 0.023 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.3 | 170.9 | 179.1 | -82.6 | -22.7 | 0 | 0 | 108.8 | S328 S331 E334 W335 L383 A384 | Q326-S328 VanDerWaalsContact NE2-CA 3.29Å; Q326-S331 PolarHBondContact NE2-O 2.83Å; Q326-E334 WeakPolarHBondContact CB-O 3.12Å; Q326-E334 WeakPolarHBondContact CG-O 3.05Å; Q326-W335 HydrophobicContact CB-CD2 3.59Å; Q326-W335 HydrophobicContact CB-CE3 3.57Å; Q326-W335 HydrophobicContact CB-CG 4.21Å; Q326-W335 HydrophobicContact CB-CH2 4.04Å; Q326-W335 HydrophobicContact CB-CZ2 3.98Å; Q326-W335 HydrophobicContact CB-CZ3 3.81Å; Q326-W335 HydrophobicContact CG-CD2 4.36Å; Q326-W335 HydrophobicContact CG-CZ2 4.48Å; Q326-L383 WeakPolarHBondContact O-CA 3.32Å; Q326-A384 HydrophobicContact CB-CB 4.4Å; Q326-A384 PolarHBondContact N-O 2.95Å; Q326-A384 PolarHBondContact O-N 3.3Å |
| 327 | C | 89.9 | Confident | 87 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 108.3 | 179.6 | -177 | 0 | 0 | 0 | 0 | 109.5 | A329 I330 S331 W359 L363 L383 | C327-A329 PolarHBondContact O-N 2.98Å; C327-I330 HydrophobicContact CB-CB 4.47Å; C327-I330 HydrophobicContact CB-CD1 3.9Å; C327-I330 HydrophobicContact CB-CG1 4.25Å; C327-I330 PolarHBondContact O-N 3.19Å; C327-S331 PolarHBondContact O-N 3.38Å; C327-W359 HydrophobicContact CB-CZ2 3.9Å; C327-L363 HydrophobicContact CB-CD1 3.75Å; C327-L383 HydrophobicContact CB-CD2 3.74Å |
| 328 | S | 85.7 | Confident | 87.1 | Confident | 64 Ų | 64 | 33.6 Ų | 33.6 | 45% | 0.448 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.8 | -175.3 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | Q326 I330 R382 | Q326-S328 VanDerWaalsContact NE2-CA 3.29Å; S328-I330 VanDerWaalsContact C-N 3.29Å; S328-R382 PolarHBondContact N-O 3.32Å; S328-R382 PolarHBondContact OG-O 2.83Å |
| 329 | A | 86.6 | Confident | 87.3 | Confident | 72 Ų | 72 | 32.6 Ų | 32.6 | 60% | 0.595 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -20.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C327 P381 | C327-A329 PolarHBondContact O-N 2.98Å; A329-P381 HydrophobicContact CB-CB 3.62Å |
| 330 | I | 86.4 | Confident | 87.5 | Confident | 55 Ų | 55 | 32.2 Ų | 32.2 | 28% | 0.282 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -55.8 | -177.9 | -55.9 | 169.1 | 0 | 0 | 0 | 109.8 | C327 S328 W359 A362 L363 | C327-I330 HydrophobicContact CB-CB 4.47Å; C327-I330 HydrophobicContact CB-CD1 3.9Å; C327-I330 HydrophobicContact CB-CG1 4.25Å; C327-I330 PolarHBondContact O-N 3.19Å; S328-I330 VanDerWaalsContact C-N 3.29Å; I330-W359 HydrophobicContact CG2-CG 4.22Å; I330-A362 HydrophobicContact CD1-CB 4.22Å; I330-A362 HydrophobicContact CG1-CB 4.34Å; I330-A362 HydrophobicContact CG2-CB 4.01Å; I330-L363 VanDerWaalsContact CD1-CA 3.45Å; I330-L363 HydrophobicContact CD1-CB 3.7Å; I330-L363 HydrophobicContact CD1-CD1 3.63Å; I330-L363 HydrophobicContact CD1-CG 4.29Å |
| 331 | S | 84.9 | Confident | 87.8 | Confident | 20 Ų | 20 | 32.2 Ų | 32.2 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | trans | -153.7 | 131.9 | -179.3 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | Q326 C327 L333 E334 | Q326-S331 PolarHBondContact NE2-O 2.83Å; C327-S331 PolarHBondContact O-N 3.38Å; S331-L333 VanDerWaalsContact C-N 3.32Å; S331-L333 PolarHBondContact OG-N 3.38Å; S331-E334 WeakPolarHBondContact OG-CB 3.32Å; S331-E334 WeakPolarHBondContact OG-CG 3.46Å; S331-E334 PolarHBondContact OG-N 3.13Å; S331-E334 PolarHBondContact OG-OE1 3.25Å | ||
| 332 | S | 82.2 | Confident | 88 | Confident | 88 Ų | 88 | 30.9 Ų | 30.9 | 62% | 0.615 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -78.6 | -15.6 | 179.9 | 57 | 0 | 0 | 0 | 0 | 113.7 | ||
| 333 | L | 78.8 | Confident | 88 | Confident | 79 Ų | 79 | 29.1 Ų | 29.1 | 41% | 0.414 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -110.1 | -25.6 | -172.1 | -60.9 | 177.4 | 0 | 0 | 0 | 113.1 | W204 S331 W335 | W204-L333 HydrophobicContact CH2-CB 4.35Å; W204-L333 HydrophobicContact CH2-CD2 4.17Å; W204-L333 HydrophobicContact CZ3-CB 4.38Å; W204-L333 HydrophobicContact CZ3-CD1 4.23Å; W204-L333 HydrophobicContact CZ3-CD2 4.49Å; S331-L333 VanDerWaalsContact C-N 3.32Å; S331-L333 PolarHBondContact OG-N 3.38Å; L333-W335 VanDerWaalsContact O-CD1 3.28Å |
| 334 | E | 82.8 | Confident | 87.9 | Confident | 29 Ų | 29 | 30.6 Ų | 30.6 | 14% | 0.136 | 18% | 0.182 | C | C | . | . | trans | -80.1 | 129.7 | -173.1 | -78.2 | 176.9 | -126.7 | 0 | 0 | 113.7 | E201 Q326 S331 H336 | E201-E334 VanDerWaalsContact OE1-CD 3.28Å; E201-E334 WeakPolarHBondContact OE1-CG 3.24Å; Q326-E334 WeakPolarHBondContact CB-O 3.12Å; Q326-E334 WeakPolarHBondContact CG-O 3.05Å; S331-E334 WeakPolarHBondContact OG-CB 3.32Å; S331-E334 WeakPolarHBondContact OG-CG 3.46Å; S331-E334 PolarHBondContact OG-N 3.13Å; S331-E334 PolarHBondContact OG-OE1 3.25Å; E334-H336 IonicContact OE2-CD2 3.34Å; E334-H336 IonicContact OE2-CE1 3.36Å; E334-H336 IonicContact OE2-NE2 3.62Å; E334-H336 PolarHBondContact OE2-NE2 3.36Å | ||
| 335 | W | 86.6 | Confident | 87.8 | Confident | 63 Ų | 63 | 32.9 Ų | 32.9 | 24% | 0.239 | 19% | 0.193 | C | C | . | . | trans | -121.9 | 117.8 | 175.5 | -71.8 | 85.9 | 0 | 0 | 0 | 109.9 | F289 L324 Q326 L333 A384 D386 | F289-W335 AromaticContact CD2-CH2 3.64Å; F289-W335 HydrophobicContact CD2-CH2 3.64Å; F289-W335 AromaticContact CD2-CZ2 3.43Å; F289-W335 HydrophobicContact CD2-CZ2 3.43Å; F289-W335 VanDerWaalsContact CD2-CZ2 3.43Å; F289-W335 HydrophobicContact CE2-CH2 4.35Å; F289-W335 AromaticContact CE2-CZ2 3.96Å; F289-W335 HydrophobicContact CE2-CZ2 3.96Å; F289-W335 HydrophobicContact CG-CZ2 4.36Å; L324-W335 HydrophobicContact CB-CB 4.32Å; L324-W335 HydrophobicContact CB-CD2 4.48Å; L324-W335 HydrophobicContact CB-CE3 3.68Å; L324-W335 HydrophobicContact CB-CZ3 4.39Å; L324-W335 HydrophobicContact CD1-CB 4.49Å; L324-W335 HydrophobicContact CD2-CB 4.45Å; Q326-W335 HydrophobicContact CB-CD2 3.59Å; Q326-W335 HydrophobicContact CB-CE3 3.57Å; Q326-W335 HydrophobicContact CB-CG 4.21Å; Q326-W335 HydrophobicContact CB-CH2 4.04Å; Q326-W335 HydrophobicContact CB-CZ2 3.98Å; Q326-W335 HydrophobicContact CB-CZ3 3.81Å; Q326-W335 HydrophobicContact CG-CD2 4.36Å; Q326-W335 HydrophobicContact CG-CZ2 4.48Å; L333-W335 VanDerWaalsContact O-CD1 3.28Å; W335-A384 HydrophobicContact CH2-CB 3.79Å; W335-A384 HydrophobicContact CZ3-CB 4.29Å; W335-D386 HydrophobicContact CE3-CB 4.41Å; W335-D386 HydrophobicContact CH2-CB 4.24Å; W335-D386 HydrophobicContact CZ3-CB 3.85Å | ||
| 336 | H | 87.3 | Confident | 87.7 | Confident | 41 Ų | 41 | 34 Ų | 34 | 19% | 0.19 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.9 | -176 | -70 | -90.5 | 0 | 0 | 0 | 111.1 | L324 V325 E334 F338 W359 | L324-H336 WeakPolarHBondContact CA-O 3.3Å; V325-H336 PolarHBondContact N-O 3.14Å; V325-H336 PolarHBondContact O-N 3.31Å; E334-H336 IonicContact OE2-CD2 3.34Å; E334-H336 IonicContact OE2-CE1 3.36Å; E334-H336 IonicContact OE2-NE2 3.62Å; E334-H336 PolarHBondContact OE2-NE2 3.36Å; H336-F338 HydrophobicContact CB-CD2 4.47Å; H336-F338 HydrophobicContact CB-CE2 3.58Å; H336-F338 HydrophobicContact CB-CZ 3.9Å; H336-F338 WeakPolarHBondContact O-CD2 3.43Å; H336-W359 HydrophobicContact CB-CE3 4.12Å; H336-W359 HydrophobicContact CB-CH2 4.2Å; H336-W359 HydrophobicContact CB-CZ3 3.91Å; H336-W359 AromaticContact CD2-CD1 3.81Å; H336-W359 AromaticContact CD2-CD2 3.2Å; H336-W359 AromaticContact CD2-CE2 3.32Å; H336-W359 AromaticContact CD2-CE3 3.54Å; H336-W359 AromaticContact CD2-CG 3.57Å; H336-W359 AromaticContact CD2-CZ2 3.79Å; H336-W359 AromaticContact CD2-CZ3 3.99Å; H336-W359 AromaticContact CD2-NE1 3.68Å; H336-W359 AromaticContact CE1-CG 3.87Å; H336-W359 AromaticContact CG-CD2 3.86Å; H336-W359 AromaticContact CG-CE3 3.7Å; H336-W359 AromaticContact CG-CZ3 4Å; H336-W359 AromaticContact NE2-CD1 3.42Å; H336-W359 AromaticContact NE2-CD2 3.38Å; H336-W359 AromaticContact NE2-CE2 3.79Å; H336-W359 AromaticContact NE2-CE3 3.97Å; H336-W359 AromaticContact NE2-CG 3.17Å; H336-W359 AromaticContact NE2-NE1 3.77Å |
| 337 | P | 88.8 | Confident | 87.6 | Confident | 45 Ų | 45 | 40.8 Ų | 40.8 | 29% | 0.292 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 129.9 | -179.1 | 30.7 | -32.6 | 0 | 0 | 0 | 112 | Y322 I323 L324 | Y322-P337 HydrophobicContact CD2-CB 3.95Å; Y322-P337 HydrophobicContact CE2-CB 4.2Å; I323-P337 CarbonylContact O-C 3.59Å; I323-P337 WeakPolarHBondContact O-CA 3.5Å; L324-P337 HydrophobicContact CD2-CB 3.87Å |
| 338 | F | 90.6 | Very high | 87.7 | Confident | 24 Ų | 24 | 43.2 Ų | 43.2 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.2 | 173.7 | -62.5 | -71.7 | 0 | 0 | 0 | 111.7 | Y322 I323 V325 H336 V351 I353 W359 T360 | Y322-F338 CarbonylContact C-O 3.53Å; Y322-F338 VanDerWaalsContact CA-O 3.3Å; Y322-F338 WeakPolarHBondContact CA-O 3.45Å; Y322-F338 WeakPolarHBondContact CB-O 3.26Å; I323-F338 PolarHBondContact N-O 3.15Å; I323-F338 PolarHBondContact O-N 3.5Å; V325-F338 HydrophobicContact CB-CD2 3.89Å; V325-F338 HydrophobicContact CB-CE2 4.16Å; V325-F338 HydrophobicContact CG2-CD2 3.79Å; H336-F338 HydrophobicContact CB-CD2 4.47Å; H336-F338 HydrophobicContact CB-CE2 3.58Å; H336-F338 HydrophobicContact CB-CZ 3.9Å; H336-F338 WeakPolarHBondContact O-CD2 3.43Å; F338-V351 HydrophobicContact CB-CB 3.99Å; F338-V351 HydrophobicContact CB-CG1 3.89Å; F338-I353 HydrophobicContact CD1-CB 4.48Å; F338-I353 HydrophobicContact CD1-CD1 4.31Å; F338-I353 HydrophobicContact CD1-CG1 3.76Å; F338-I353 HydrophobicContact CD1-CG2 4.43Å; F338-I353 HydrophobicContact CD2-CD1 4.11Å; F338-I353 HydrophobicContact CD2-CG1 4.42Å; F338-I353 HydrophobicContact CE1-CB 4.18Å; F338-I353 HydrophobicContact CE1-CD1 4.22Å; F338-I353 HydrophobicContact CE1-CG1 3.81Å; F338-I353 HydrophobicContact CE1-CG2 3.66Å; F338-I353 HydrophobicContact CE2-CD1 3.99Å; F338-I353 HydrophobicContact CE2-CG1 4.44Å; F338-I353 HydrophobicContact CG-CD1 4.27Å; F338-I353 HydrophobicContact CG-CG1 4.08Å; F338-I353 HydrophobicContact CZ-CD1 4.05Å; F338-I353 HydrophobicContact CZ-CG1 4.16Å; F338-I353 HydrophobicContact CZ-CG2 3.87Å; F338-W359 HydrophobicContact CE2-CH2 4.06Å; F338-W359 AromaticContact CE2-CZ3 3.67Å; F338-W359 HydrophobicContact CE2-CZ3 3.67Å; F338-W359 HydrophobicContact CZ-CE3 4.47Å; F338-W359 AromaticContact CZ-CZ3 3.71Å; F338-W359 HydrophobicContact CZ-CZ3 3.71Å; F338-T360 HydrophobicContact CZ-CG2 4.21Å |
| 339 | T | 90.4 | Very high | 88.1 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 137.5 | 178.8 | -46.2 | 0 | 0 | 0 | 0 | 111.2 | T341 P413 F568 | T339-T341 PolarHBondContact O-N 2.6Å; T339-P413 VanDerWaalsContact CG2-CA 3.49Å; T339-P413 HydrophobicContact CG2-CB 3.65Å; T339-P413 HydrophobicContact CG2-CG 4.39Å; T339-F568 HydrophobicContact CG2-CE1 4.41Å; T339-F568 HydrophobicContact CG2-CZ 3.95Å; T339-F568 VanDerWaalsContact OG1-CE1 3.3Å; T339-F568 WeakPolarHBondContact OG1-CE1 3.15Å; T339-F568 VanDerWaalsContact OG1-CE2 3.27Å; T339-F568 WeakPolarHBondContact OG1-CE2 3.35Å; T339-F568 WeakPolarHBondContact OG1-CZ 3.42Å |
| 340 | L | 91.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 123.2 | 171.9 | -63.4 | 169.9 | 0 | 0 | 0 | 109.4 | F315 M317 Q321 I323 F349 S350 V351 P388 A416 | F315-L340 HydrophobicContact CE1-CD1 4.04Å; F315-L340 HydrophobicContact CZ-CD1 4.25Å; M317-L340 HydrophobicContact CB-CD1 3.7Å; M317-L340 HydrophobicContact CG-CD1 4.35Å; M317-L340 HydrophobicContact SD-CD1 3.87Å; Q321-L340 HydrophobicContact CB-CD1 4.24Å; Q321-L340 WeakPolarHBondContact O-CB 3.42Å; Q321-L340 WeakPolarHBondContact O-CG 3.31Å; Q321-L340 PolarHBondContact O-N 3.06Å; I323-L340 HydrophobicContact CD1-CD2 4.05Å; I323-L340 HydrophobicContact CG1-CD2 4.12Å; I323-L340 HydrophobicContact CG2-CD1 4.15Å; I323-L340 HydrophobicContact CG2-CD2 3.92Å; I323-L340 HydrophobicContact CG2-CG 4.15Å; L340-F349 HydrophobicContact CD2-CB 4.23Å; L340-F349 HydrophobicContact CD2-CD2 3.84Å; L340-F349 HydrophobicContact CD2-CG 4.47Å; L340-S350 WeakPolarHBondContact CA-O 3.32Å; L340-V351 HydrophobicContact CD2-CG1 4.22Å; L340-P388 HydrophobicContact CD1-CB 4.15Å; L340-A416 VanDerWaalsContact O-CB 3.25Å; L340-A416 WeakPolarHBondContact O-CB 3.39Å |
| 341 | T | 90.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | trans | -99.7 | -18.7 | -179 | 47.2 | 0 | 0 | 0 | 0 | 113.2 | T339 S350 H352 T412 A416 | T339-T341 PolarHBondContact O-N 2.6Å; T341-S350 PolarHBondContact N-O 3.47Å; T341-S350 VanDerWaalsContact OG1-C 3.31Å; T341-S350 PolarHBondContact OG1-O 3.39Å; T341-S350 VanDerWaalsContact OG1-O 3.06Å; T341-S350 PolarHBondContact OG1-OG 3.27Å; T341-H352 VanDerWaalsContact CB-ND1 3.31Å; T341-H352 WeakPolarHBondContact CB-ND1 3.38Å; T341-H352 HydrophobicContact CG2-CB 4.09Å; T341-H352 VanDerWaalsContact CG2-ND1 3.31Å; T341-H352 WeakPolarHBondContact CG2-ND1 3.3Å; T341-H352 PolarHBondContact OG1-CE1 3.4Å; T341-H352 PolarHBondContact OG1-ND1 2.89Å; T341-T412 HydrophobicContact CG2-CG2 4.11Å; T341-A416 WeakPolarHBondContact O-CA 3.36Å; T341-A416 PolarHBondContact O-N 2.86Å | ||
| 342 | S | 90.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -75.6 | 149.9 | 173.2 | 51 | 0 | 0 | 0 | 0 | 112.7 | M317 E346 F349 S350 A416 | M317-S342 WeakPolarHBondContact CE-OG 3.25Å; S342-E346 WeakPolarHBondContact CA-OE2 3.45Å; S342-E346 WeakPolarHBondContact CB-OE2 3.42Å; S342-F349 WeakPolarHBondContact OG-CA 3.35Å; S342-S350 PolarHBondContact OG-N 3.44Å; S342-A416 WeakPolarHBondContact O-CB 3.38Å |
| 343 | A | 89.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -80.5 | 148.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M317 Q345 E346 K419 Y423 | M317-A343 VanDerWaalsContact CE-C 3.42Å; M317-A343 WeakPolarHBondContact CE-O 3.3Å; A343-Q345 PolarHBondContact O-N 2.85Å; A343-E346 HydrophobicContact CB-CG 4.28Å; A343-E346 PolarHBondContact N-OE2 3.27Å; A343-E346 WeakPolarHBondContact O-CB 3.45Å; A343-E346 PolarHBondContact O-N 3.04Å; A343-K419 HydrophobicContact CB-CB 3.7Å; A343-K419 HydrophobicContact CB-CD 4.43Å; A343-Y423 HydrophobicContact CB-CD2 3.88Å; A343-Y423 HydrophobicContact CB-CE2 3.8Å | ||
| 344 | P | 88.3 | Confident | 89.5 | Confident | 30 Ų | 30 | 31.4 Ų | 31.4 | 20% | 0.195 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -21.8 | 175.9 | -27.1 | 34.8 | 0 | 0 | 0 | 115.3 | K312 M317 P319 | K312-P344 PolarHBondContact NZ-O 3.42Å; M317-P344 HydrophobicContact CG-CB 4.47Å; M317-P344 WeakPolarHBondContact O-CB 3.42Å; M317-P344 WeakPolarHBondContact O-CG 3.38Å; P319-P344 HydrophobicContact CG-CG 3.86Å |
| 345 | Q | 88.4 | Confident | 89.5 | Confident | 61 Ų | 61 | 32.3 Ų | 32.3 | 29% | 0.285 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -14.6 | 179.4 | -64.8 | 81.8 | -1.1 | 0 | 0 | 113.3 | A343 Y423 | A343-Q345 PolarHBondContact O-N 2.85Å; Q345-Y423 HydrophobicContact CB-CD1 3.91Å; Q345-Y423 HydrophobicContact CB-CD2 3.77Å; Q345-Y423 HydrophobicContact CB-CE1 4.13Å; Q345-Y423 HydrophobicContact CB-CE2 4.02Å; Q345-Y423 HydrophobicContact CB-CG 3.73Å; Q345-Y423 HydrophobicContact CG-CD1 4.21Å; Q345-Y423 HydrophobicContact CG-CD2 4.12Å; Q345-Y423 HydrophobicContact CG-CG 3.79Å |
| 346 | E | 89.3 | Confident | 89.1 | Confident | 24 Ų | 24 | 33.9 Ų | 33.9 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -77 | 151 | 176.7 | -66 | 170.9 | 160.5 | 0 | 0 | 110.8 | K312 S342 A343 F348 K419 Y423 | K312-E346 WeakPolarHBondContact CD-O 3.5Å; K312-E346 PolarHBondContact NZ-O 3.44Å; S342-E346 WeakPolarHBondContact CA-OE2 3.45Å; S342-E346 WeakPolarHBondContact CB-OE2 3.42Å; A343-E346 HydrophobicContact CB-CG 4.28Å; A343-E346 PolarHBondContact N-OE2 3.27Å; A343-E346 WeakPolarHBondContact O-CB 3.45Å; A343-E346 PolarHBondContact O-N 3.04Å; E346-F348 VanDerWaalsContact C-N 3.26Å; E346-F348 HydrophobicContact CB-CD1 4.35Å; E346-F348 HydrophobicContact CB-CE1 4.16Å; E346-F348 HydrophobicContact CB-CZ 4.49Å; E346-F348 HydrophobicContact CG-CE1 4.47Å; E346-F348 PolarHBondContact O-N 2.9Å; E346-K419 IonicContact OE1-NZ 3.64Å; E346-K419 PolarHBondContact OE1-NZ 3.45Å; E346-K419 IonicContact OE2-NZ 2.86Å; E346-Y423 HydrophobicContact CG-CE2 4.33Å |
| 347 | D | 90.8 | Very high | 88.8 | Confident | 149 Ų | 149 | 33.7 Ų | 33.7 | 80% | 0.797 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -78.8 | -8.3 | -178.9 | -67.3 | -34.8 | 0 | 0 | 0 | 113.8 | K312 | K312-D347 WeakPolarHBondContact CB-O 3.44Š|
| 348 | F | 92.3 | Very high | 88.5 | Confident | 50 Ų | 50 | 38.2 Ų | 38.2 | 22% | 0.219 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 166.3 | 173.9 | 64.1 | -86.8 | 0 | 0 | 0 | 109.4 | H309 M310 E346 | H309-F348 HydrophobicContact CB-CD2 4.14Å; H309-F348 AromaticContact CD2-CE2 3.93Å; H309-F348 AromaticContact CE1-CE2 3.57Å; H309-F348 AromaticContact CE1-CZ 3.77Å; H309-F348 AromaticContact CG-CD2 3.83Å; H309-F348 AromaticContact CG-CE2 3.93Å; H309-F348 AromaticContact ND1-CD2 3.88Å; H309-F348 AromaticContact ND1-CE2 3.73Å; H309-F348 AromaticContact NE2-CE2 3.7Å; M310-F348 WeakPolarHBondContact O-CA 3.39Å; M310-F348 WeakPolarHBondContact O-CB 3.23Å; E346-F348 VanDerWaalsContact C-N 3.26Å; E346-F348 HydrophobicContact CB-CD1 4.35Å; E346-F348 HydrophobicContact CB-CE1 4.16Å; E346-F348 HydrophobicContact CB-CZ 4.49Å; E346-F348 HydrophobicContact CG-CE1 4.47Å; E346-F348 PolarHBondContact O-N 2.9Å |
| 349 | F | 93.4 | Very high | 88.4 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142.9 | 162.8 | 66.6 | -85.2 | 0 | 0 | 0 | 109.7 | V293 M310 K311 K312 F315 M317 I323 L340 S342 V385 | V293-F349 HydrophobicContact CG1-CZ 4.48Å; M310-F349 HydrophobicContact CB-CD1 4.13Å; M310-F349 HydrophobicContact CB-CD2 4.08Å; M310-F349 HydrophobicContact CB-CE1 3.66Å; M310-F349 HydrophobicContact CB-CE2 3.62Å; M310-F349 HydrophobicContact CB-CG 4.33Å; M310-F349 HydrophobicContact CB-CZ 3.39Å; M310-F349 HydrophobicContact CE-CD2 3.7Å; M310-F349 HydrophobicContact CE-CE2 3.43Å; M310-F349 VanDerWaalsContact CE-CE2 3.43Å; M310-F349 HydrophobicContact CE-CZ 4.36Å; M310-F349 HydrophobicContact CG-CE2 4.17Å; M310-F349 HydrophobicContact CG-CZ 4.22Å; M310-F349 PolarHBondContact N-O 2.87Å; M310-F349 WeakPolarHBondContact O-CD1 3.31Å; M310-F349 PolarHBondContact O-N 3.28Å; M310-F349 HydrophobicContact SD-CD2 4.32Å; M310-F349 HydrophobicContact SD-CE2 3.48Å; M310-F349 WeakPolarHBondContact SD-CE2 3.42Å; M310-F349 HydrophobicContact SD-CZ 3.89Å; K311-F349 WeakPolarHBondContact O-CE1 3.41Å; K312-F349 HydrophobicContact CB-CD1 4.2Å; F315-F349 HydrophobicContact CD1-CB 4.39Å; F315-F349 AromaticContact CD1-CD1 3.91Å; F315-F349 HydrophobicContact CD1-CD1 3.91Å; F315-F349 HydrophobicContact CD1-CE1 4.33Å; F315-F349 HydrophobicContact CD1-CG 4.09Å; F315-F349 HydrophobicContact CE1-CB 4.33Å; F315-F349 HydrophobicContact CE1-CD1 4.33Å; F315-F349 HydrophobicContact CE1-CD2 4.3Å; F315-F349 HydrophobicContact CE1-CG 4.08Å; F315-F349 HydrophobicContact CG-CD1 4.47Å; M317-F349 HydrophobicContact CE-CB 4.03Å; M317-F349 HydrophobicContact SD-CB 3.6Å; I323-F349 HydrophobicContact CD1-CD2 4.34Å; I323-F349 HydrophobicContact CD1-CE2 4.01Å; L340-F349 HydrophobicContact CD2-CB 4.23Å; L340-F349 HydrophobicContact CD2-CD2 3.84Å; L340-F349 HydrophobicContact CD2-CG 4.47Å; S342-F349 WeakPolarHBondContact OG-CA 3.35Å; F349-V385 HydrophobicContact CE2-CG1 4.4Å; F349-V385 HydrophobicContact CE2-CG2 4.47Å |
| 350 | S | 92.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 154.6 | -177.7 | 72.3 | 0 | 0 | 0 | 0 | 113.6 | E307 L308 H309 L340 T341 S342 | E307-S350 PolarHBondContact OE1-OG 3.44Å; L308-S350 WeakPolarHBondContact O-CA 3.44Å; L308-S350 VanDerWaalsContact O-CB 3.26Å; L308-S350 WeakPolarHBondContact O-CB 3.35Å; H309-S350 VanDerWaalsContact CD2-CB 3.5Å; H309-S350 WeakPolarHBondContact CD2-CB 3.11Å; L340-S350 WeakPolarHBondContact CA-O 3.32Å; T341-S350 PolarHBondContact N-O 3.47Å; T341-S350 VanDerWaalsContact OG1-C 3.31Å; T341-S350 PolarHBondContact OG1-O 3.39Å; T341-S350 VanDerWaalsContact OG1-O 3.06Å; T341-S350 PolarHBondContact OG1-OG 3.27Å; S342-S350 PolarHBondContact OG-N 3.44Å |
| 351 | V | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143.8 | 172 | -65 | 0 | 0 | 0 | 0 | 109.6 | E307 L308 M310 I323 F338 L340 I353 | E307-V351 WeakPolarHBondContact CA-O 3.5Å; L308-V351 HydrophobicContact CB-CG2 4.09Å; L308-V351 HydrophobicContact CD1-CG2 4.46Å; L308-V351 PolarHBondContact N-O 3.04Å; L308-V351 PolarHBondContact O-N 2.54Å; M310-V351 HydrophobicContact CE-CG1 4.34Å; M310-V351 HydrophobicContact CE-CG2 3.91Å; I323-V351 HydrophobicContact CD1-CG1 3.71Å; I323-V351 HydrophobicContact CG1-CG1 3.93Å; F338-V351 HydrophobicContact CB-CB 3.99Å; F338-V351 HydrophobicContact CB-CG1 3.89Å; L340-V351 HydrophobicContact CD2-CG1 4.22Å; V351-I353 HydrophobicContact CG2-CD1 3.99Å; V351-I353 HydrophobicContact CG2-CG1 4.08Å |
| 352 | H | 89.1 | Confident | 87.9 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 7% | 0.069 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.2 | 172 | -72.2 | 61 | 0 | 0 | 0 | 109.2 | H301 V305 V306 E307 T341 T412 W451 | H301-H352 AromaticContact NE2-NE2 3.74Å; V305-H352 HydrophobicContact CG1-CB 4.12Å; V306-H352 WeakPolarHBondContact O-CA 3.34Å; E307-H352 VanDerWaalsContact CG-CE1 3.44Å; E307-H352 WeakPolarHBondContact CG-CE1 3.33Å; E307-H352 IonicContact OE1-CE1 3.29Å; E307-H352 PolarHBondContact OE1-CE1 2.99Å; E307-H352 VanDerWaalsContact OE1-CE1 3.29Å; E307-H352 IonicContact OE1-NE2 3.93Å; E307-H352 IonicContact OE2-CE1 3.8Å; E307-H352 IonicContact OE2-NE2 3.66Å; T341-H352 VanDerWaalsContact CB-ND1 3.31Å; T341-H352 WeakPolarHBondContact CB-ND1 3.38Å; T341-H352 HydrophobicContact CG2-CB 4.09Å; T341-H352 VanDerWaalsContact CG2-ND1 3.31Å; T341-H352 WeakPolarHBondContact CG2-ND1 3.3Å; T341-H352 PolarHBondContact OG1-CE1 3.4Å; T341-H352 PolarHBondContact OG1-ND1 2.89Å; H352-T412 HydrophobicContact CB-CG2 4Å; H352-W451 AromaticContact CD2-CE3 3.81Å; H352-W451 AromaticContact CD2-CZ3 3.8Å; H352-W451 AromaticContact NE2-CE3 3.48Å; H352-W451 AromaticContact NE2-CZ3 3.51Å |
| 353 | I | 88.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.4 | -174.1 | -54.9 | -179.1 | 0 | 0 | 0 | 108.3 | V305 V306 L308 F338 V351 T360 L363 L364 | V305-I353 CarbonylContact C-O 3.57Å; V305-I353 VanDerWaalsContact CA-O 3.3Å; V305-I353 WeakPolarHBondContact CA-O 3.32Å; V306-I353 PolarHBondContact N-O 2.82Å; V306-I353 PolarHBondContact O-N 2.97Å; L308-I353 HydrophobicContact CD1-CD1 3.81Å; F338-I353 HydrophobicContact CD1-CB 4.48Å; F338-I353 HydrophobicContact CD1-CD1 4.31Å; F338-I353 HydrophobicContact CD1-CG1 3.76Å; F338-I353 HydrophobicContact CD1-CG2 4.43Å; F338-I353 HydrophobicContact CD2-CD1 4.11Å; F338-I353 HydrophobicContact CD2-CG1 4.42Å; F338-I353 HydrophobicContact CE1-CB 4.18Å; F338-I353 HydrophobicContact CE1-CD1 4.22Å; F338-I353 HydrophobicContact CE1-CG1 3.81Å; F338-I353 HydrophobicContact CE1-CG2 3.66Å; F338-I353 HydrophobicContact CE2-CD1 3.99Å; F338-I353 HydrophobicContact CE2-CG1 4.44Å; F338-I353 HydrophobicContact CG-CD1 4.27Å; F338-I353 HydrophobicContact CG-CG1 4.08Å; F338-I353 HydrophobicContact CZ-CD1 4.05Å; F338-I353 HydrophobicContact CZ-CG1 4.16Å; F338-I353 HydrophobicContact CZ-CG2 3.87Å; V351-I353 HydrophobicContact CG2-CD1 3.99Å; V351-I353 HydrophobicContact CG2-CG1 4.08Å; I353-T360 HydrophobicContact CG2-CG2 4.2Å; I353-L363 HydrophobicContact CD1-CD2 3.36Å; I353-L363 HydrophobicContact CG2-CD2 4.17Å; I353-L364 HydrophobicContact CB-CD1 4.31Å; I353-L364 HydrophobicContact CG2-CD1 3.82Å |
| 354 | R | 85.9 | Confident | 87.8 | Confident | 107 Ų | 107 | 42 Ų | 42 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 141.6 | 174.5 | -173.8 | -180 | 177.9 | -178.8 | 1.7 | 109.8 | G304 V305 A356 I409 | G304-R354 WeakPolarHBondContact O-CA 3.37Å; V305-R354 HydrophobicContact CG2-CB 4.03Å; V305-R354 HydrophobicContact CG2-CG 4.03Å; R354-A356 PolarHBondContact O-N 3.42Å; R354-I409 HydrophobicContact CB-CD1 4.05Å; R354-I409 HydrophobicContact CB-CG1 4.26Å |
| 355 | A | 82.6 | Confident | 87.7 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 40% | 0.397 | 27% | 0.273 | S | S | . | . | trans | -61.4 | 107.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G304 L364 | G304-A355 PolarHBondContact O-N 2.97Å; G304-A355 VanDerWaalsContact O-N 3.12Å; A355-L364 HydrophobicContact CB-CD2 4.03Å | ||
| 356 | A | 78.4 | Confident | 87.5 | Confident | 96 Ų | 96 | 45.8 Ų | 45.8 | 79% | 0.793 | 27% | 0.273 | S | S | * | . | trans | -131.2 | -11.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R354 T360 | R354-A356 PolarHBondContact O-N 3.42Å; A356-T360 PolarHBondContact N-OG1 3.22Å | ||
| 357 | G | 80.9 | Confident | 87.3 | Confident | 37 Ų | 37 | 45.1 Ų | 45.1 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -162.8 | 178.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | W359 T360 A361 | G357-W359 PolarHBondContact O-N 2.94Å; G357-T360 PolarHBondContact N-OG1 3Å; G357-T360 PolarHBondContact O-N 3.44Å; G357-T360 PolarHBondContact O-OG1 3.19Å; G357-A361 WeakPolarHBondContact O-CB 3.35Å; G357-A361 PolarHBondContact O-N 3.4Å |
| 358 | D | 83.4 | Confident | 86.6 | Confident | 139 Ų | 139 | 38.9 Ų | 38.9 | 74% | 0.743 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -50.6 | -53.7 | 179.4 | 53.9 | -10.9 | 0 | 0 | 0 | 113.1 | T360 A361 A362 | D358-T360 PolarHBondContact O-N 2.95Å; D358-A361 PolarHBondContact O-N 3.09Å; D358-A362 WeakPolarHBondContact O-CB 3.35Å; D358-A362 PolarHBondContact O-N 3.02Å |
| 359 | W | 87.4 | Confident | 85.2 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63 | -44.4 | -178.8 | -173.2 | 97 | 0 | 0 | 0 | 112.2 | V325 C327 I330 H336 F338 G357 A361 A362 L363 | V325-W359 HydrophobicContact CG1-CH2 4.38Å; C327-W359 HydrophobicContact CB-CZ2 3.9Å; I330-W359 HydrophobicContact CG2-CG 4.22Å; H336-W359 HydrophobicContact CB-CE3 4.12Å; H336-W359 HydrophobicContact CB-CH2 4.2Å; H336-W359 HydrophobicContact CB-CZ3 3.91Å; H336-W359 AromaticContact CD2-CD1 3.81Å; H336-W359 AromaticContact CD2-CD2 3.2Å; H336-W359 AromaticContact CD2-CE2 3.32Å; H336-W359 AromaticContact CD2-CE3 3.54Å; H336-W359 AromaticContact CD2-CG 3.57Å; H336-W359 AromaticContact CD2-CZ2 3.79Å; H336-W359 AromaticContact CD2-CZ3 3.99Å; H336-W359 AromaticContact CD2-NE1 3.68Å; H336-W359 AromaticContact CE1-CG 3.87Å; H336-W359 AromaticContact CG-CD2 3.86Å; H336-W359 AromaticContact CG-CE3 3.7Å; H336-W359 AromaticContact CG-CZ3 4Å; H336-W359 AromaticContact NE2-CD1 3.42Å; H336-W359 AromaticContact NE2-CD2 3.38Å; H336-W359 AromaticContact NE2-CE2 3.79Å; H336-W359 AromaticContact NE2-CE3 3.97Å; H336-W359 AromaticContact NE2-CG 3.17Å; H336-W359 AromaticContact NE2-NE1 3.77Å; F338-W359 HydrophobicContact CE2-CH2 4.06Å; F338-W359 AromaticContact CE2-CZ3 3.67Å; F338-W359 HydrophobicContact CE2-CZ3 3.67Å; F338-W359 HydrophobicContact CZ-CE3 4.47Å; F338-W359 AromaticContact CZ-CZ3 3.71Å; F338-W359 HydrophobicContact CZ-CZ3 3.71Å; G357-W359 PolarHBondContact O-N 2.94Å; W359-A361 VanDerWaalsContact C-N 3.35Å; W359-A361 PolarHBondContact O-N 3.5Å; W359-A362 PolarHBondContact O-N 3.3Å; W359-L363 HydrophobicContact CE3-CB 4.46Å; W359-L363 HydrophobicContact CH2-CD1 4.01Å; W359-L363 HydrophobicContact CH2-CD2 3.89Å; W359-L363 HydrophobicContact CH2-CG 4.4Å; W359-L363 HydrophobicContact CZ2-CD1 4.36Å; W359-L363 HydrophobicContact CZ3-CB 4.26Å; W359-L363 HydrophobicContact CZ3-CD1 4.47Å; W359-L363 HydrophobicContact CZ3-CD2 3.73Å; W359-L363 HydrophobicContact CZ3-CG 4.38Å; W359-L363 WeakPolarHBondContact O-CB 3.41Å; W359-L363 PolarHBondContact O-N 2.86Å |
| 360 | T | 88.3 | Confident | 83.4 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.1 | -34.6 | 179.2 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | F338 I353 A356 G357 D358 L363 L364 | F338-T360 HydrophobicContact CZ-CG2 4.21Å; I353-T360 HydrophobicContact CG2-CG2 4.2Å; A356-T360 PolarHBondContact N-OG1 3.22Å; G357-T360 PolarHBondContact N-OG1 3Å; G357-T360 PolarHBondContact O-N 3.44Å; G357-T360 PolarHBondContact O-OG1 3.19Å; D358-T360 PolarHBondContact O-N 2.95Å; T360-L363 PolarHBondContact O-N 3.41Å; T360-L364 WeakPolarHBondContact O-CD1 3.44Å; T360-L364 PolarHBondContact O-N 3.2Å |
| 361 | A | 86.9 | Confident | 81.6 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.6 | -47.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G357 D358 W359 L363 L364 E365 | G357-A361 WeakPolarHBondContact O-CB 3.35Å; G357-A361 PolarHBondContact O-N 3.4Å; D358-A361 PolarHBondContact O-N 3.09Å; W359-A361 VanDerWaalsContact C-N 3.35Å; W359-A361 PolarHBondContact O-N 3.5Å; A361-L363 PolarHBondContact O-N 3.48Å; A361-L364 PolarHBondContact O-N 3.16Å; A361-L364 VanDerWaalsContact O-N 3.09Å; A361-E365 PolarHBondContact O-N 3Å |
| 362 | A | 87.3 | Confident | 79.4 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.6 | -35.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I330 D358 W359 A366 | I330-A362 HydrophobicContact CD1-CB 4.22Å; I330-A362 HydrophobicContact CG1-CB 4.34Å; I330-A362 HydrophobicContact CG2-CB 4.01Å; D358-A362 WeakPolarHBondContact O-CB 3.35Å; D358-A362 PolarHBondContact O-N 3.02Å; W359-A362 PolarHBondContact O-N 3.3Å; A362-A366 VanDerWaalsContact O-CB 3.26Å; A362-A366 WeakPolarHBondContact O-CB 3.13Å; A362-A366 PolarHBondContact O-N 2.96Å |
| 363 | L | 89.2 | Confident | 77.6 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.016 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 173.6 | -168.8 | 81.2 | 0 | 0 | 0 | 111.6 | C327 I330 I353 W359 T360 A361 E365 A366 F367 L383 | C327-L363 HydrophobicContact CB-CD1 3.75Å; I330-L363 VanDerWaalsContact CD1-CA 3.45Å; I330-L363 HydrophobicContact CD1-CB 3.7Å; I330-L363 HydrophobicContact CD1-CD1 3.63Å; I330-L363 HydrophobicContact CD1-CG 4.29Å; I353-L363 HydrophobicContact CD1-CD2 3.36Å; I353-L363 HydrophobicContact CG2-CD2 4.17Å; W359-L363 HydrophobicContact CE3-CB 4.46Å; W359-L363 HydrophobicContact CH2-CD1 4.01Å; W359-L363 HydrophobicContact CH2-CD2 3.89Å; W359-L363 HydrophobicContact CH2-CG 4.4Å; W359-L363 HydrophobicContact CZ2-CD1 4.36Å; W359-L363 HydrophobicContact CZ3-CB 4.26Å; W359-L363 HydrophobicContact CZ3-CD1 4.47Å; W359-L363 HydrophobicContact CZ3-CD2 3.73Å; W359-L363 HydrophobicContact CZ3-CG 4.38Å; W359-L363 WeakPolarHBondContact O-CB 3.41Å; W359-L363 PolarHBondContact O-N 2.86Å; T360-L363 PolarHBondContact O-N 3.41Å; A361-L363 PolarHBondContact O-N 3.48Å; L363-E365 VanDerWaalsContact C-N 3.29Å; L363-E365 PolarHBondContact O-N 3.45Å; L363-A366 PolarHBondContact O-N 2.82Å; L363-F367 HydrophobicContact CD1-CD2 3.89Å; L363-F367 HydrophobicContact CD1-CE2 3.53Å; L363-F367 HydrophobicContact CG-CD2 3.98Å; L363-F367 HydrophobicContact CG-CE2 4.1Å; L363-F367 WeakPolarHBondContact O-CD2 3.16Å; L363-F367 PolarHBondContact O-N 3.09Å; L363-L383 HydrophobicContact CD1-CD2 4.26Å |
| 364 | L | 87.9 | Confident | 76 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 7% | 0.068 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63 | -38.9 | 179 | -92.9 | 70.4 | 0 | 0 | 0 | 111.7 | G304 V306 I353 A355 T360 A361 F367 G368 A369 | G304-L364 VanDerWaalsContact O-CD2 3.3Å; G304-L364 WeakPolarHBondContact O-CD2 3.39Å; V306-L364 HydrophobicContact CB-CD1 4.4Å; V306-L364 HydrophobicContact CB-CG 4.13Å; V306-L364 HydrophobicContact CG2-CD1 4.47Å; V306-L364 HydrophobicContact CG2-CD2 4.07Å; V306-L364 HydrophobicContact CG2-CG 3.68Å; I353-L364 HydrophobicContact CB-CD1 4.31Å; I353-L364 HydrophobicContact CG2-CD1 3.82Å; A355-L364 HydrophobicContact CB-CD2 4.03Å; T360-L364 WeakPolarHBondContact O-CD1 3.44Å; T360-L364 PolarHBondContact O-N 3.2Å; A361-L364 PolarHBondContact O-N 3.16Å; A361-L364 VanDerWaalsContact O-N 3.09Å; L364-F367 PolarHBondContact O-N 3.17Å; L364-G368 PolarHBondContact O-N 3.02Å; L364-A369 HydrophobicContact CB-CB 4Å; L364-A369 HydrophobicContact CD2-CB 4.48Å; L364-A369 HydrophobicContact CG-CB 4.28Å; L364-A369 VanDerWaalsContact O-CB 3.26Å; L364-A369 WeakPolarHBondContact O-CB 3.46Å; L364-A369 PolarHBondContact O-N 3.14Å |
| 365 | E | 86 | Confident | 74.7 | Confident | 137 Ų | 137 | 66.3 Ų | 66.3 | 64% | 0.64 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.6 | -48.9 | 174 | -171.5 | -178.8 | 175.3 | 0 | 0 | 111.6 | A361 L363 F367 G368 | A361-E365 PolarHBondContact O-N 3Å; L363-E365 VanDerWaalsContact C-N 3.29Å; L363-E365 PolarHBondContact O-N 3.45Å; E365-F367 PolarHBondContact O-N 3.25Å; E365-F367 VanDerWaalsContact O-N 3.16Å; E365-G368 PolarHBondContact O-N 3.32Å |
| 366 | A | 85.5 | Confident | 73.8 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 26% | 0.264 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.7 | -24.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A362 L363 P381 | A362-A366 VanDerWaalsContact O-CB 3.26Å; A362-A366 WeakPolarHBondContact O-CB 3.13Å; A362-A366 PolarHBondContact O-N 2.96Å; L363-A366 PolarHBondContact O-N 2.82Å; A366-P381 HydrophobicContact CB-CG 4.23Å |
| 367 | F | 84.4 | Confident | 73.1 | Confident | 10 Ų | 10 | 68 Ų | 68 | 4% | 0.044 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 7.8 | 177.1 | -78.8 | -98.8 | 0 | 0 | 0 | 113.5 | I295 V298 L308 L363 L364 E365 L380 P381 L383 | I295-F367 HydrophobicContact CD1-CE1 3.61Å; I295-F367 HydrophobicContact CD1-CZ 3.97Å; I295-F367 HydrophobicContact CG1-CE1 4.43Å; V298-F367 HydrophobicContact CG1-CB 4.36Å; V298-F367 HydrophobicContact CG2-CD1 3.94Å; L308-F367 HydrophobicContact CD1-CE1 4.41Å; L308-F367 HydrophobicContact CD2-CD1 3.5Å; L308-F367 VanDerWaalsContact CD2-CD1 3.5Å; L308-F367 HydrophobicContact CD2-CE1 3.82Å; L308-F367 HydrophobicContact CD2-CG 4.12Å; L363-F367 HydrophobicContact CD1-CD2 3.89Å; L363-F367 HydrophobicContact CD1-CE2 3.53Å; L363-F367 HydrophobicContact CG-CD2 3.98Å; L363-F367 HydrophobicContact CG-CE2 4.1Å; L363-F367 WeakPolarHBondContact O-CD2 3.16Å; L363-F367 PolarHBondContact O-N 3.09Å; L364-F367 PolarHBondContact O-N 3.17Å; E365-F367 PolarHBondContact O-N 3.25Å; E365-F367 VanDerWaalsContact O-N 3.16Å; F367-L380 HydrophobicContact CD1-CD2 3.98Å; F367-L380 HydrophobicContact CE1-CD2 4.37Å; F367-P381 HydrophobicContact CD2-CG 4.03Å; F367-P381 HydrophobicContact CE2-CG 3.4Å; F367-P381 HydrophobicContact CZ-CG 3.71Å; F367-L383 HydrophobicContact CE1-CD1 4.23Å; F367-L383 HydrophobicContact CE2-CD2 4.13Å; F367-L383 HydrophobicContact CZ-CD1 3.68Å; F367-L383 HydrophobicContact CZ-CD2 3.88Å; F367-L383 HydrophobicContact CZ-CG 3.79Å |
| 368 | G | 75.1 | Confident | 72.3 | Confident | 19 Ų | 19 | 75.8 Ų | 75.8 | 20% | 0.196 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 29.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L364 E365 E370 | L364-G368 PolarHBondContact O-N 3.02Å; E365-G368 PolarHBondContact O-N 3.32Å; G368-E370 PolarHBondContact O-N 3.29Å |
| 369 | A | 63.6 | Low | 72 | Confident | 31 Ų | 31 | 78.2 Ų | 78.2 | 26% | 0.256 | 43% | 0.428 | S | S | . | . | trans | -65.8 | -21.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V306 L364 G371 | V306-A369 HydrophobicContact CG2-CB 3.55Å; L364-A369 HydrophobicContact CB-CB 4Å; L364-A369 HydrophobicContact CD2-CB 4.48Å; L364-A369 HydrophobicContact CG-CB 4.28Å; L364-A369 VanDerWaalsContact O-CB 3.26Å; L364-A369 WeakPolarHBondContact O-CB 3.46Å; L364-A369 PolarHBondContact O-N 3.14Å; A369-G371 PolarHBondContact O-N 3.17Å | ||
| 370 | E | 55.6 | Low | 71.7 | Confident | 163 Ų | 163 | 79.2 Ų | 79.2 | 76% | 0.762 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -96.8 | 55.1 | -177.1 | -65.7 | -165.1 | 164.8 | 0 | 0 | 113.8 | G368 Q372 | G368-E370 PolarHBondContact O-N 3.29Å; E370-Q372 PolarHBondContact O-N 3.32Å |
| 371 | G | 54 | Low | 71.6 | Confident | 82 Ų | 82 | 79.3 Ų | 79.3 | 85% | 0.845 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 67.6 | 5.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | A369 | A369-G371 PolarHBondContact O-N 3.17Š|
| 372 | Q | 47.1 | Very low | 71.6 | Confident | 151 Ų | 151 | 83.1 Ų | 83.1 | 71% | 0.706 | 44% | 0.439 | S | S | * | . | trans | -81.1 | 139.8 | 167.6 | -69.4 | -174.6 | -1.1 | 0 | 0 | 109.6 | E370 | E370-Q372 PolarHBondContact O-N 3.32Š| ||
| 373 | A | 52 | Low | 71.7 | Confident | 87 Ų | 87 | 81.6 Ų | 81.6 | 72% | 0.719 | 43% | 0.426 | S | S | * | . | trans | -40 | 140.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q375 | A373-Q375 PolarHBondContact O-N 3.43Š| ||
| 374 | L | 54.1 | Low | 71.8 | Confident | 168 Ų | 168 | 81.5 Ų | 81.5 | 88% | 0.88 | 43% | 0.425 | S | S | * | . | trans | -36.3 | 105 | 172.7 | -83.7 | 160.1 | 0 | 0 | 0 | 109.6 | E376 | L374-E376 PolarHBondContact O-N 2.92Š| ||
| 375 | Q | 59.6 | Low | 72 | Confident | 75 Ų | 75 | 81.4 Ų | 81.4 | 35% | 0.35 | 43% | 0.425 | S | S | . | . | trans | -68.1 | 131.6 | 178.7 | -73.5 | -170.4 | 1.7 | 0 | 0 | 108.1 | A373 L380 | A373-Q375 PolarHBondContact O-N 3.43Å; Q375-L380 HydrophobicContact CB-CD2 4.39Å | ||
| 376 | E | 63.6 | Low | 72.1 | Confident | 100 Ų | 100 | 75.1 Ų | 75.1 | 47% | 0.467 | 40% | 0.396 | S | S | . | . | trans | -55.3 | 141.1 | 175 | -68.5 | -66.1 | 169.8 | 0 | 0 | 110.7 | L374 W378 R379 | L374-E376 PolarHBondContact O-N 2.92Å; E376-W378 HydrophobicContact CB-CD2 4.04Å; E376-W378 HydrophobicContact CB-CG 4.37Å; E376-W378 HydrophobicContact CB-CH2 4.39Å; E376-W378 HydrophobicContact CB-CZ2 3.59Å; E376-W378 VanDerWaalsContact CB-NE1 3.29Å; E376-W378 HydrophobicContact CG-CZ2 3.67Å; E376-W378 PolarHBondContact O-N 3.26Å; E376-W378 WeakPolarHBondContact OE2-CH2 3.36Å; E376-W378 WeakPolarHBondContact OE2-CZ2 3.23Å; E376-R379 PolarHBondContact O-N 3.49Å | ||
| 377 | P | 62.8 | Low | 72.2 | Confident | 79 Ų | 79 | 74 Ų | 74 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -53.7 | -28.8 | -170.9 | -27.9 | 34.1 | 0 | 0 | 0 | 115.3 | R379 L380 | P377-R379 VanDerWaalsContact C-N 3.34Å; P377-L380 PolarHBondContact O-N 3.29Å |
| 378 | W | 65.6 | Low | 72.3 | Confident | 200 Ų | 200 | 74.9 Ų | 74.9 | 76% | 0.758 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -76.7 | -12.2 | 178.4 | 41.6 | 81.4 | 0 | 0 | 0 | 114.9 | E376 | E376-W378 HydrophobicContact CB-CD2 4.04Å; E376-W378 HydrophobicContact CB-CG 4.37Å; E376-W378 HydrophobicContact CB-CH2 4.39Å; E376-W378 HydrophobicContact CB-CZ2 3.59Å; E376-W378 VanDerWaalsContact CB-NE1 3.29Å; E376-W378 HydrophobicContact CG-CZ2 3.67Å; E376-W378 PolarHBondContact O-N 3.26Å; E376-W378 WeakPolarHBondContact OE2-CH2 3.36Å; E376-W378 WeakPolarHBondContact OE2-CZ2 3.23Å |
| 379 | R | 75.4 | Confident | 72.7 | Confident | 190 Ų | 190 | 74.1 Ų | 74.1 | 72% | 0.717 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -90.3 | -13.9 | 173.2 | -67.8 | -172.2 | 176.3 | -172.9 | 0.6 | 112.9 | E376 P377 | E376-R379 PolarHBondContact O-N 3.49Å; P377-R379 VanDerWaalsContact C-N 3.34Å |
| 380 | L | 82.2 | Confident | 73.1 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 15% | 0.152 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -65.6 | 138.8 | 179.7 | -65.2 | 174.4 | 0 | 0 | 0 | 110.4 | I295 V298 F367 Q375 P377 | I295-L380 HydrophobicContact CB-CD1 4.32Å; I295-L380 HydrophobicContact CD1-CB 4.16Å; I295-L380 HydrophobicContact CD1-CD1 4.38Å; I295-L380 HydrophobicContact CG2-CD1 3.91Å; V298-L380 HydrophobicContact CG2-CD1 4.04Å; F367-L380 HydrophobicContact CD1-CD2 3.98Å; F367-L380 HydrophobicContact CE1-CD2 4.37Å; Q375-L380 HydrophobicContact CB-CD2 4.39Å; P377-L380 PolarHBondContact O-N 3.29Å |
| 381 | P | 86.3 | Confident | 73.9 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 147.6 | -179.4 | 29.3 | -36 | 0 | 0 | 0 | 110.9 | A329 A366 F367 L383 | A329-P381 HydrophobicContact CB-CB 3.62Å; A366-P381 HydrophobicContact CB-CG 4.23Å; F367-P381 HydrophobicContact CD2-CG 4.03Å; F367-P381 HydrophobicContact CE2-CG 3.4Å; F367-P381 HydrophobicContact CZ-CG 3.71Å; P381-L383 PolarHBondContact O-N 2.91Å |
| 382 | R | 86.9 | Confident | 74.9 | Confident | 126 Ų | 126 | 62.1 Ų | 62.1 | 48% | 0.475 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 127.7 | 176.5 | 178.9 | -177 | 166.8 | -158.3 | -3.2 | 110.5 | F289 S328 | F289-R382 PolarHBondContact O-NH2 3.47Å; S328-R382 PolarHBondContact N-O 3.32Å; S328-R382 PolarHBondContact OG-O 2.83Å |
| 383 | L | 90.1 | Very high | 76.6 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 141 | 168.6 | -63.6 | 178.7 | 0 | 0 | 0 | 111.1 | I295 L308 V325 Q326 C327 L363 F367 P381 | I295-L383 HydrophobicContact CD1-CD1 4.06Å; I295-L383 HydrophobicContact CD1-CG 4.28Å; I295-L383 HydrophobicContact CG1-CD1 4.19Å; L308-L383 HydrophobicContact CD1-CD1 4.03Å; V325-L383 HydrophobicContact CG1-CD1 4.43Å; V325-L383 HydrophobicContact CG1-CD2 3.88Å; Q326-L383 WeakPolarHBondContact O-CA 3.32Å; C327-L383 HydrophobicContact CB-CD2 3.74Å; L363-L383 HydrophobicContact CD1-CD2 4.26Å; F367-L383 HydrophobicContact CE1-CD1 4.23Å; F367-L383 HydrophobicContact CE2-CD2 4.13Å; F367-L383 HydrophobicContact CZ-CD1 3.68Å; F367-L383 HydrophobicContact CZ-CD2 3.88Å; F367-L383 HydrophobicContact CZ-CG 3.79Å; P381-L383 PolarHBondContact O-N 2.91Å |
| 384 | A | 91.1 | Very high | 77.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 141.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | F289 V325 Q326 W335 | F289-A384 HydrophobicContact CD2-CB 3.56Å; F289-A384 HydrophobicContact CE2-CB 3.61Å; V325-A384 WeakPolarHBondContact CA-O 3.26Å; Q326-A384 HydrophobicContact CB-CB 4.4Å; Q326-A384 PolarHBondContact N-O 2.95Å; Q326-A384 PolarHBondContact O-N 3.3Å; W335-A384 HydrophobicContact CH2-CB 3.79Å; W335-A384 HydrophobicContact CZ3-CB 4.29Å |
| 385 | V | 90.5 | Very high | 79.1 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.6 | -177.4 | 171 | 0 | 0 | 0 | 0 | 109.5 | V293 M310 I323 L324 F349 | V293-V385 HydrophobicContact CG1-CG2 4.09Å; V293-V385 HydrophobicContact CG2-CB 3.86Å; V293-V385 HydrophobicContact CG2-CG2 3.77Å; M310-V385 HydrophobicContact SD-CG2 4Å; I323-V385 HydrophobicContact CB-CG1 3.98Å; I323-V385 HydrophobicContact CD1-CG1 3.8Å; I323-V385 HydrophobicContact CD1-CG2 4.18Å; I323-V385 HydrophobicContact CG1-CG1 4.48Å; I323-V385 HydrophobicContact CG2-CG1 4.04Å; L324-V385 WeakPolarHBondContact O-CA 3.38Å; F349-V385 HydrophobicContact CE2-CG1 4.4Å; F349-V385 HydrophobicContact CE2-CG2 4.47Å |
| 386 | D | 88.9 | Confident | 80.3 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.032 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.3 | 169.8 | -177 | 21.2 | 0 | 0 | 0 | 110 | R285 R288 I323 L324 W335 F389 | R285-D386 WeakPolarHBondContact CD-OD2 3.12Å; R285-D386 WeakPolarHBondContact CG-OD2 3.34Å; R285-D386 IonicContact NE-OD2 3.34Å; R288-D386 WeakPolarHBondContact CD-OD1 3.21Å; R288-D386 IonicContact NH1-OD1 3.17Å; R288-D386 PolarHBondContact NH1-OD1 3.11Å; R288-D386 VanDerWaalsContact NH1-OD1 3.15Å; I323-D386 CarbonylContact C-O 3.16Å; I323-D386 WeakPolarHBondContact CA-O 3.29Å; L324-D386 HydrophobicContact CB-CB 4.33Å; L324-D386 PolarHBondContact N-O 3.31Å; L324-D386 PolarHBondContact O-N 3.42Å; W335-D386 HydrophobicContact CE3-CB 4.41Å; W335-D386 HydrophobicContact CH2-CB 4.24Å; W335-D386 HydrophobicContact CZ3-CB 3.85Å; D386-F389 VanDerWaalsContact O-CE2 3.31Å; D386-F389 WeakPolarHBondContact O-CE2 3.33Å; D386-F389 WeakPolarHBondContact OD2-CZ 3.48Å |
| 387 | G | 86.9 | Confident | 81.4 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.9 | -166.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 388 | P | 87.4 | Confident | 82.4 | Confident | 29 Ų | 29 | 38.3 Ų | 38.3 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -82.8 | 148.1 | 4 | 28.7 | -23.3 | 0 | 0 | 0 | 112.7 | F315 K316 M317 Q321 I323 L340 | F315-P388 HydrophobicContact CE1-CG 4.43Å; F315-P388 HydrophobicContact CE2-CB 4.42Å; F315-P388 VanDerWaalsContact CE2-CD 3.43Å; F315-P388 HydrophobicContact CE2-CG 4.07Å; F315-P388 HydrophobicContact CZ-CB 3.83Å; F315-P388 HydrophobicContact CZ-CG 3.8Å; K316-P388 WeakPolarHBondContact O-CG 3.37Å; M317-P388 HydrophobicContact CB-CG 4.4Å; Q321-P388 HydrophobicContact CB-CB 4.06Å; I323-P388 HydrophobicContact CG2-CB 4.5Å; L340-P388 HydrophobicContact CD1-CB 4.15Å |
| 389 | F | 82.8 | Confident | 83.5 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 144.1 | 176.4 | -61.2 | -67.4 | 0 | 0 | 0 | 111.3 | R74 Q321 Y322 L324 D386 | R74-F389 HydrophobicContact CB-CD1 3.82Å; R74-F389 HydrophobicContact CB-CE1 3.7Å; Q321-F389 WeakPolarHBondContact CA-O 3.21Å; Q321-F389 WeakPolarHBondContact CB-O 3.19Å; Q321-F389 VanDerWaalsContact CG-O 3.25Å; Q321-F389 WeakPolarHBondContact CG-O 3.29Å; Y322-F389 HydrophobicContact CD1-CB 4.15Å; Y322-F389 HydrophobicContact CD2-CB 4.42Å; Y322-F389 HydrophobicContact CD2-CD2 4.17Å; Y322-F389 HydrophobicContact CE1-CB 3.63Å; Y322-F389 HydrophobicContact CE2-CB 3.94Å; Y322-F389 AromaticContact CE2-CD2 3.69Å; Y322-F389 HydrophobicContact CE2-CD2 3.69Å; Y322-F389 HydrophobicContact CE2-CG 4.16Å; Y322-F389 PolarHBondContact N-O 3.43Å; Y322-F389 PolarHBondContact O-N 3.27Å; L324-F389 HydrophobicContact CD1-CE2 3.83Å; L324-F389 HydrophobicContact CD1-CZ 4.33Å; L324-F389 HydrophobicContact CG-CD2 4.5Å; L324-F389 HydrophobicContact CG-CE2 3.89Å; D386-F389 VanDerWaalsContact O-CE2 3.31Å; D386-F389 WeakPolarHBondContact O-CE2 3.33Å; D386-F389 WeakPolarHBondContact OD2-CZ 3.48Å |
| 390 | G | 72.3 | Confident | 84.2 | Confident | 17 Ų | 17 | 22.2 Ų | 22.2 | 18% | 0.175 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 144.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 391 | A | 73.5 | Confident | 84.8 | Confident | 4 Ų | 4 | 20.9 Ų | 20.9 | 3% | 0.033 | 11% | 0.108 | C | C | . | . | trans | -137.7 | 145.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | R81 G320 L393 T394 | R81-A391 PolarHBondContact NH2-O 3.28Å; G320-A391 VanDerWaalsContact C-CB 3.44Å; G320-A391 WeakPolarHBondContact O-CB 3.38Å; A391-L393 PolarHBondContact O-N 2.97Å; A391-T394 WeakPolarHBondContact O-CG2 3.48Å; A391-T394 PolarHBondContact O-N 3.3Å; A391-T394 PolarHBondContact O-OG1 2.65Å; A391-T394 VanDerWaalsContact O-OG1 3.11Å | ||
| 392 | A | 74.9 | Confident | 85.1 | Confident | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.033 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -60.5 | -24.4 | -172 | 0 | 0 | 0 | 0 | 0 | 112.7 | T394 D395 F533 N564 E566 | A392-T394 PolarHBondContact O-N 3.39Å; A392-T394 VanDerWaalsContact O-N 3.11Å; A392-D395 WeakPolarHBondContact O-CB 3.41Å; A392-D395 PolarHBondContact O-N 3.01Å; A392-F533 WeakPolarHBondContact O-CE1 3.48Å; A392-N564 HydrophobicContact CB-CB 4.18Å; A392-E566 VanDerWaalsContact CA-OE1 3.3Å; A392-E566 WeakPolarHBondContact CA-OE1 3.47Å; A392-E566 WeakPolarHBondContact CB-OE1 3.12Å; A392-E566 PolarHBondContact N-OE1 3.21Å; A392-E566 PolarHBondContact N-OE2 2.68Å |
| 393 | L | 82.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -63.1 | -19.4 | -179.2 | -157.7 | 68.5 | 0 | 0 | 0 | 113.9 | A391 D395 V396 P413 F414 L417 F533 E566 | A391-L393 PolarHBondContact O-N 2.97Å; L393-D395 PolarHBondContact O-N 3.37Å; L393-D395 VanDerWaalsContact O-N 3.09Å; L393-V396 HydrophobicContact CD1-CG2 3.53Å; L393-V396 HydrophobicContact CG-CG2 3.93Å; L393-V396 WeakPolarHBondContact O-CB 3.07Å; L393-V396 WeakPolarHBondContact O-CG2 3.47Å; L393-V396 PolarHBondContact O-N 2.92Å; L393-V396 VanDerWaalsContact O-N 3.16Å; L393-P413 HydrophobicContact CD2-CB 3.84Å; L393-P413 VanDerWaalsContact CD2-O 3.22Å; L393-P413 WeakPolarHBondContact CD2-O 3.37Å; L393-F414 HydrophobicContact CD1-CD1 3.87Å; L393-F414 HydrophobicContact CD1-CE1 3.46Å; L393-F414 VanDerWaalsContact CD1-CE1 3.46Å; L393-F414 HydrophobicContact CD1-CZ 4.28Å; L393-F414 HydrophobicContact CD2-CD1 4.1Å; L393-F414 HydrophobicContact CD2-CE1 4.39Å; L393-L417 HydrophobicContact CD1-CD2 3.94Å; L393-L417 HydrophobicContact CD2-CB 3.83Å; L393-L417 HydrophobicContact CD2-CD2 4.05Å; L393-L417 HydrophobicContact CD2-CG 4.41Å; L393-L417 HydrophobicContact CG-CB 4.43Å; L393-L417 HydrophobicContact CG-CD1 4.47Å; L393-L417 HydrophobicContact CG-CD2 4.01Å; L393-F533 HydrophobicContact CD1-CB 3.7Å; L393-F533 HydrophobicContact CD1-CD1 3.93Å; L393-F533 HydrophobicContact CD1-CG 3.86Å; L393-E566 WeakPolarHBondContact CA-OE1 3.44Å; L393-E566 WeakPolarHBondContact CB-OE1 3.04Å; L393-E566 PolarHBondContact N-OE1 3.25Å |
| 394 | T | 76.9 | Confident | 85.8 | Confident | 26 Ų | 26 | 14 Ų | 14 | 16% | 0.16 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -58.3 | -24.2 | 171.5 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | R81 A318 Q321 A391 A392 V396 | R81-T394 PolarHBondContact NH2-OG1 3.14Å; A318-T394 HydrophobicContact CB-CG2 4Å; Q321-T394 HydrophobicContact CG-CG2 4.36Å; A391-T394 WeakPolarHBondContact O-CG2 3.48Å; A391-T394 PolarHBondContact O-N 3.3Å; A391-T394 PolarHBondContact O-OG1 2.65Å; A391-T394 VanDerWaalsContact O-OG1 3.11Å; A392-T394 PolarHBondContact O-N 3.39Å; A392-T394 VanDerWaalsContact O-N 3.11Å; T394-V396 VanDerWaalsContact C-N 3.32Å; T394-V396 PolarHBondContact O-N 3.2Å |
| 395 | D | 80.9 | Confident | 86 | Confident | 7 Ų | 7 | 14 Ų | 14 | 4% | 0.037 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -83.7 | -5 | -175.9 | -65.3 | -17.8 | 0 | 0 | 0 | 113.4 | R92 A392 L393 F397 H398 Y399 F533 | R92-D395 IonicContact NH1-OD1 2.65Å; R92-D395 PolarHBondContact NH1-OD1 2.91Å; A392-D395 WeakPolarHBondContact O-CB 3.41Å; A392-D395 PolarHBondContact O-N 3.01Å; L393-D395 PolarHBondContact O-N 3.37Å; L393-D395 VanDerWaalsContact O-N 3.09Å; D395-F397 PolarHBondContact O-N 3.45Å; D395-H398 WeakPolarHBondContact CA-ND1 3.42Å; D395-H398 WeakPolarHBondContact O-CB 3.28Å; D395-H398 PolarHBondContact O-N 3.1Å; D395-H398 PolarHBondContact O-ND1 3.22Å; D395-H398 IonicContact OD1-CE1 3.94Å; D395-H398 IonicContact OD1-ND1 3.01Å; D395-Y399 WeakPolarHBondContact O-CD2 3.34Å; D395-F533 HydrophobicContact CB-CE1 4.37Å; D395-F533 HydrophobicContact CB-CZ 4.46Å |
| 396 | V | 86.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -50.5 | -43.6 | 178.2 | 167 | 0 | 0 | 0 | 0 | 112.3 | L393 T394 H398 Y399 S402 L417 L434 F533 | L393-V396 HydrophobicContact CD1-CG2 3.53Å; L393-V396 HydrophobicContact CG-CG2 3.93Å; L393-V396 WeakPolarHBondContact O-CB 3.07Å; L393-V396 WeakPolarHBondContact O-CG2 3.47Å; L393-V396 PolarHBondContact O-N 2.92Å; L393-V396 VanDerWaalsContact O-N 3.16Å; T394-V396 VanDerWaalsContact C-N 3.32Å; T394-V396 PolarHBondContact O-N 3.2Å; V396-H398 PolarHBondContact O-N 3.41Å; V396-H398 VanDerWaalsContact O-N 3.11Å; V396-Y399 PolarHBondContact O-N 3.28Å; V396-S402 PolarHBondContact O-OG 2.92Å; V396-L417 HydrophobicContact CB-CD1 3.94Å; V396-L417 HydrophobicContact CB-CD2 4.41Å; V396-L417 HydrophobicContact CG1-CD1 3.89Å; V396-L417 HydrophobicContact CG1-CD2 4.1Å; V396-L417 HydrophobicContact CG2-CD1 4.12Å; V396-L417 HydrophobicContact CG2-CD2 3.87Å; V396-L434 HydrophobicContact CG1-CD2 3.96Å; V396-F533 HydrophobicContact CB-CE2 4.15Å; V396-F533 HydrophobicContact CB-CZ 4.21Å; V396-F533 HydrophobicContact CG2-CD1 3.98Å; V396-F533 HydrophobicContact CG2-CD2 3.58Å; V396-F533 HydrophobicContact CG2-CE1 3.89Å; V396-F533 HydrophobicContact CG2-CE2 3.48Å; V396-F533 VanDerWaalsContact CG2-CE2 3.48Å; V396-F533 HydrophobicContact CG2-CG 3.83Å; V396-F533 HydrophobicContact CG2-CZ 3.63Å |
| 397 | F | 85.1 | Confident | 86.2 | Confident | 28 Ų | 28 | 13.9 Ų | 13.9 | 12% | 0.123 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -69.1 | -8.4 | -178 | -59 | -73.5 | 0 | 0 | 0 | 114.2 | P319 D395 L417 I421 K424 L432 L434 | P319-F397 HydrophobicContact CG-CE2 4.36Å; D395-F397 PolarHBondContact O-N 3.45Å; F397-L417 HydrophobicContact CE2-CD1 4.04Å; F397-L417 HydrophobicContact CZ-CD1 3.97Å; F397-I421 HydrophobicContact CE1-CG1 3.68Å; F397-I421 HydrophobicContact CZ-CG1 3.99Å; F397-K424 HydrophobicContact CD1-CD 4.39Å; F397-K424 HydrophobicContact CE1-CD 3.88Å; F397-K424 HydrophobicContact CZ-CD 4.01Å; F397-L432 HydrophobicContact CD1-CD2 4.09Å; F397-L434 HydrophobicContact CD1-CD2 4.23Å |
| 398 | H | 85.3 | Confident | 86.2 | Confident | 99 Ų | 99 | 14.6 Ų | 14.6 | 46% | 0.458 | 9% | 0.089 | S | C | . | . | G | 310 helix | trans | -89.9 | -10.3 | 179.2 | -60.2 | 83.1 | 0 | 0 | 0 | 113.4 | D395 V396 K433 | D395-H398 WeakPolarHBondContact CA-ND1 3.42Å; D395-H398 WeakPolarHBondContact O-CB 3.28Å; D395-H398 PolarHBondContact O-N 3.1Å; D395-H398 PolarHBondContact O-ND1 3.22Å; D395-H398 IonicContact OD1-CE1 3.94Å; D395-H398 IonicContact OD1-ND1 3.01Å; V396-H398 PolarHBondContact O-N 3.41Å; V396-H398 VanDerWaalsContact O-N 3.11Å; H398-K433 VanDerWaalsContact O-CD 3.31Å; H398-K433 WeakPolarHBondContact O-CD 3.45Å; H398-K433 WeakPolarHBondContact O-CE 3.48Å; H398-K433 PolarHBondContact O-NZ 3.01Å |
| 399 | Y | 88.6 | Confident | 86 | Confident | 23 Ų | 23 | 16.5 Ų | 16.5 | 9% | 0.09 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -102.9 | 139 | 178.3 | -64 | -83.4 | 0 | 0 | 0 | 110.4 | D395 V396 V401 L434 F533 Y562 | D395-Y399 WeakPolarHBondContact O-CD2 3.34Å; V396-Y399 PolarHBondContact O-N 3.28Å; Y399-V401 VanDerWaalsContact C-N 3.28Å; Y399-V401 WeakPolarHBondContact CB-O 3.36Å; Y399-V401 PolarHBondContact O-N 3.39Å; Y399-L434 VanDerWaalsContact O-CA 3.31Å; Y399-L434 WeakPolarHBondContact O-CA 3.46Å; Y399-L434 VanDerWaalsContact O-CD1 3.31Å; Y399-L434 WeakPolarHBondContact O-CD1 3.43Å; Y399-F533 HydrophobicContact CD2-CE2 4.05Å; Y399-F533 AromaticContact CD2-CZ 3.8Å; Y399-F533 HydrophobicContact CD2-CZ 3.8Å; Y399-F533 HydrophobicContact CE2-CE2 4.31Å; Y399-F533 AromaticContact CE2-CZ 3.72Å; Y399-F533 HydrophobicContact CE2-CZ 3.72Å; Y399-Y562 HydrophobicContact CD1-CD2 4.28Å; Y399-Y562 AromaticContact CE1-CD2 3.5Å; Y399-Y562 HydrophobicContact CE1-CD2 3.5Å; Y399-Y562 HydrophobicContact CE1-CE2 4.24Å; Y399-Y562 AromaticContact CE1-CG 3.81Å; Y399-Y562 HydrophobicContact CE1-CG 3.81Å; Y399-Y562 WeakPolarHBondContact OH-CB 3.46Å |
| 400 | P | 90.4 | Very high | 86.2 | Confident | 28 Ų | 28 | 16.8 Ų | 16.8 | 18% | 0.182 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -62.5 | -38.2 | 171.5 | 26.5 | -34.8 | 0 | 0 | 0 | 112 | K433 S435 K436 S529 | P400-K433 WeakPolarHBondContact CA-O 3.19Å; P400-S435 PolarHBondContact O-N 3.4Å; P400-S435 PolarHBondContact O-OG 3.43Å; P400-S435 VanDerWaalsContact O-OG 3.04Å; P400-K436 PolarHBondContact O-N 3.37Å; P400-S529 VanDerWaalsContact CD-O 3.24Å; P400-S529 WeakPolarHBondContact CD-O 3.3Å; P400-S529 WeakPolarHBondContact CG-O 3.43Å |
| 401 | V | 93.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.3 | 177.8 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | Y399 K436 Y438 H525 I530 G531 | Y399-V401 VanDerWaalsContact C-N 3.28Å; Y399-V401 WeakPolarHBondContact CB-O 3.36Å; Y399-V401 PolarHBondContact O-N 3.39Å; V401-K436 WeakPolarHBondContact CA-O 3.48Å; V401-K436 HydrophobicContact CG1-CB 4.35Å; V401-K436 HydrophobicContact CG2-CB 4.38Å; V401-Y438 HydrophobicContact CG1-CD2 3.98Å; V401-Y438 HydrophobicContact CG1-CE2 3.81Å; V401-H525 HydrophobicContact CG2-CB 4.34Å; V401-I530 HydrophobicContact CB-CG1 4.2Å; V401-I530 HydrophobicContact CB-CG2 4.36Å; V401-I530 HydrophobicContact CG1-CG2 4.18Å; V401-I530 WeakPolarHBondContact O-CA 3.21Å; V401-G531 PolarHBondContact O-N 2.92Å |
| 402 | S | 94.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.9 | 176.1 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | V396 L434 K436 V437 Y438 G531 | V396-S402 PolarHBondContact O-OG 2.92Å; S402-L434 WeakPolarHBondContact OG-CD1 3.36Å; S402-K436 PolarHBondContact N-O 2.88Å; S402-V437 WeakPolarHBondContact O-CA 3.32Å; S402-Y438 PolarHBondContact O-N 3.27Å; S402-G531 CarbonylContact C-O 3.54Å; S402-G531 WeakPolarHBondContact CA-O 3.31Å |
| 403 | V | 95.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 107.3 | 176.3 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | I405 Y438 Y440 I521 I530 G531 V532 F533 | V403-I405 HydrophobicContact CG1-CD1 3.95Å; V403-I405 HydrophobicContact CG1-CG1 3.91Å; V403-Y438 CarbonylContact C-O 3.56Å; V403-Y438 WeakPolarHBondContact CA-O 3.43Å; V403-Y438 HydrophobicContact CG2-CD2 4.25Å; V403-Y440 HydrophobicContact CG1-CD2 3.98Å; V403-Y440 HydrophobicContact CG1-CE2 3.87Å; V403-I521 HydrophobicContact CG1-CD1 4.47Å; V403-I521 HydrophobicContact CG2-CD1 4Å; V403-I521 HydrophobicContact CG2-CG2 4.39Å; V403-I530 HydrophobicContact CG2-CG2 3.71Å; V403-G531 PolarHBondContact N-O 3.24Å; V403-V532 HydrophobicContact CB-CG2 4.27Å; V403-V532 CarbonylContact O-C 3.58Å; V403-V532 WeakPolarHBondContact O-CA 3.36Å; V403-F533 PolarHBondContact O-N 2.83Å |
| 404 | C | 95.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115.2 | -178.5 | -67.1 | 0 | 0 | 0 | 0 | 109.1 | F414 Y438 F439 Y440 | C404-F414 HydrophobicContact CB-CD1 3.51Å; C404-F414 HydrophobicContact CB-CE1 3.38Å; C404-F414 HydrophobicContact CB-CG 4.48Å; C404-F414 HydrophobicContact CB-CZ 4.27Å; C404-Y438 PolarHBondContact N-O 3.1Å; C404-F439 HydrophobicContact CB-CD2 3.86Å; C404-F439 CarbonylContact O-C 3.55Å; C404-F439 WeakPolarHBondContact O-CA 3.5Å; C404-Y440 PolarHBondContact O-N 3.37Å |
| 405 | I | 95.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 115.4 | -176.5 | -55.6 | 167.4 | 0 | 0 | 0 | 109.3 | V403 Y440 I442 W514 V532 F533 F534 C535 L544 | V403-I405 HydrophobicContact CG1-CD1 3.95Å; V403-I405 HydrophobicContact CG1-CG1 3.91Å; I405-Y440 WeakPolarHBondContact CA-O 3.45Å; I405-Y440 HydrophobicContact CG1-CD2 4.07Å; I405-Y440 HydrophobicContact CG1-CG 4.41Å; I405-I442 HydrophobicContact CG2-CD1 4.17Å; I405-W514 HydrophobicContact CB-CH2 4.37Å; I405-W514 HydrophobicContact CD1-CE3 4.4Å; I405-W514 HydrophobicContact CD1-CH2 3.72Å; I405-W514 HydrophobicContact CD1-CZ3 3.64Å; I405-W514 HydrophobicContact CG1-CH2 3.94Å; I405-W514 HydrophobicContact CG1-CZ3 4.14Å; I405-W514 HydrophobicContact CG2-CH2 3.5Å; I405-W514 VanDerWaalsContact CG2-CH2 3.5Å; I405-W514 HydrophobicContact CG2-CZ2 3.89Å; I405-W514 HydrophobicContact CG2-CZ3 4.49Å; I405-V532 HydrophobicContact CD1-CG1 4.05Å; I405-F533 PolarHBondContact N-O 2.68Å; I405-F534 HydrophobicContact CB-CD2 3.96Å; I405-F534 HydrophobicContact CG2-CD2 3.76Å; I405-F534 HydrophobicContact CG2-CE2 4.12Å; I405-F534 WeakPolarHBondContact O-CA 3.43Å; I405-F534 WeakPolarHBondContact O-CD2 3.39Å; I405-C535 PolarHBondContact O-N 3Å; I405-L544 HydrophobicContact CB-CD1 4.34Å; I405-L544 HydrophobicContact CD1-CD1 3.8Å; I405-L544 HydrophobicContact CD1-CD2 3.62Å; I405-L544 HydrophobicContact CD1-CG 4.33Å; I405-L544 HydrophobicContact CG2-CD1 4.02Å |
| 406 | A | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 141.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V411 F414 Y440 I442 | A406-V411 HydrophobicContact CB-CB 3.88Å; A406-V411 HydrophobicContact CB-CG2 3.93Å; A406-F414 HydrophobicContact CB-CD2 3.75Å; A406-F414 HydrophobicContact CB-CE2 3.84Å; A406-Y440 PolarHBondContact N-O 2.67Å; A406-I442 PolarHBondContact O-N 2.87Å |
| 407 | A | 91.1 | Very high | 89.9 | Confident | 14 Ų | 14 | 14.7 Ų | 14.7 | 12% | 0.116 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 126.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I409 G410 I442 C535 L540 | A407-I409 PolarHBondContact O-N 2.82Å; A407-G410 PolarHBondContact O-N 2.87Å; A407-G410 VanDerWaalsContact O-N 3.12Å; A407-I442 CarbonylContact C-O 3.57Å; A407-I442 VanDerWaalsContact CA-O 3.26Å; A407-I442 WeakPolarHBondContact CA-O 3.38Å; A407-C535 PolarHBondContact N-O 3.36Å; A407-L540 HydrophobicContact CB-CD2 4.17Å |
| 408 | G | 86.9 | Confident | 90.1 | Very high | 24 Ų | 24 | 13.5 Ų | 13.5 | 25% | 0.247 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | 57.5 | -131.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G410 V411 W441 I442 | G408-G410 PolarHBondContact O-N 2.79Å; G408-G410 VanDerWaalsContact O-N 3.15Å; G408-V411 PolarHBondContact O-N 3.3Å; G408-W441 PolarHBondContact O-NE1 3.47Å; G408-I442 PolarHBondContact N-O 3.25Å |
| 409 | I | 82.7 | Confident | 90.2 | Very high | 69 Ų | 69 | 10.7 Ų | 10.7 | 35% | 0.354 | 6% | 0.064 | S | C | . | . | G | 310 helix | trans | -65.4 | -12.9 | 177.8 | -160.8 | 63.2 | 0 | 0 | 0 | 113.2 | R354 A407 V411 T412 | R354-I409 HydrophobicContact CB-CD1 4.05Å; R354-I409 HydrophobicContact CB-CG1 4.26Å; A407-I409 PolarHBondContact O-N 2.82Å; I409-V411 PolarHBondContact O-N 2.77Å; I409-T412 HydrophobicContact CD1-CG2 4.06Å; I409-T412 HydrophobicContact CG1-CG2 4.27Å; I409-T412 WeakPolarHBondContact O-CG2 3.18Å; I409-T412 PolarHBondContact O-N 2.75Å; I409-T412 PolarHBondContact O-OG1 3.13Å; I409-T412 VanDerWaalsContact O-OG1 3.12Å |
| 410 | G | 86 | Confident | 90.2 | Very high | 7 Ų | 7 | 9.6 Ų | 9.6 | 7% | 0.072 | 6% | 0.06 | C | C | . | . | G | 310 helix | trans | -63.4 | -0.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A407 G408 T412 P413 C535 | A407-G410 PolarHBondContact O-N 2.87Å; A407-G410 VanDerWaalsContact O-N 3.12Å; G408-G410 PolarHBondContact O-N 2.79Å; G408-G410 VanDerWaalsContact O-N 3.15Å; G410-T412 VanDerWaalsContact C-N 3.33Å; G410-P413 WeakPolarHBondContact O-CD 3.4Å; G410-P413 WeakPolarHBondContact O-CG 3.32Å; G410-C535 VanDerWaalsContact CA-SG 3.53Å; G410-C535 VanDerWaalsContact O-CB 3.23Å; G410-C535 WeakPolarHBondContact O-CB 3.21Å |
| 411 | V | 88.3 | Confident | 90 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.006 | 5% | 0.053 | C | C | . | . | G | 310 helix | trans | -72.6 | -24.8 | 173.3 | 78.4 | 0 | 0 | 0 | 0 | 113.4 | A406 G408 I409 F414 A415 F439 W441 W451 F452 | A406-V411 HydrophobicContact CB-CB 3.88Å; A406-V411 HydrophobicContact CB-CG2 3.93Å; G408-V411 PolarHBondContact O-N 3.3Å; I409-V411 PolarHBondContact O-N 2.77Å; V411-F414 WeakPolarHBondContact O-CA 3.19Å; V411-F414 WeakPolarHBondContact O-CB 3.27Å; V411-F414 PolarHBondContact O-N 3.27Å; V411-A415 PolarHBondContact O-N 3.49Å; V411-F439 HydrophobicContact CG2-CE2 4.4Å; V411-F439 HydrophobicContact CG2-CZ 3.71Å; V411-W441 HydrophobicContact CB-CD2 4.33Å; V411-W441 HydrophobicContact CB-CG 4.47Å; V411-W441 HydrophobicContact CB-CZ2 4.17Å; V411-W441 HydrophobicContact CG1-CH2 4.39Å; V411-W441 HydrophobicContact CG1-CZ2 3.76Å; V411-W441 HydrophobicContact CG2-CD2 3.8Å; V411-W441 HydrophobicContact CG2-CE3 4.28Å; V411-W441 HydrophobicContact CG2-CG 3.97Å; V411-W441 HydrophobicContact CG2-CZ2 4.25Å; V411-W451 HydrophobicContact CG1-CH2 4.22Å; V411-W451 HydrophobicContact CG1-CZ2 3.64Å; V411-F452 HydrophobicContact CG1-CD2 4.36Å; V411-F452 HydrophobicContact CG2-CD1 4.27Å; V411-F452 HydrophobicContact CG2-CD2 3.97Å; V411-F452 HydrophobicContact CG2-CE1 3.95Å; V411-F452 HydrophobicContact CG2-CE2 3.6Å; V411-F452 HydrophobicContact CG2-CG 4.28Å; V411-F452 HydrophobicContact CG2-CZ 3.59Å |
| 412 | T | 88.4 | Confident | 89.5 | Confident | 11 Ų | 11 | 10.7 Ų | 10.7 | 7% | 0.067 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -50.7 | -46.9 | -175.9 | 51.3 | 0 | 0 | 0 | 0 | 115.3 | T341 H352 I409 G410 F414 A415 W451 | T341-T412 HydrophobicContact CG2-CG2 4.11Å; H352-T412 HydrophobicContact CB-CG2 4Å; I409-T412 HydrophobicContact CD1-CG2 4.06Å; I409-T412 HydrophobicContact CG1-CG2 4.27Å; I409-T412 WeakPolarHBondContact O-CG2 3.18Å; I409-T412 PolarHBondContact O-N 2.75Å; I409-T412 PolarHBondContact O-OG1 3.13Å; I409-T412 VanDerWaalsContact O-OG1 3.12Å; G410-T412 VanDerWaalsContact C-N 3.33Å; T412-F414 PolarHBondContact O-N 2.87Å; T412-A415 WeakPolarHBondContact O-CB 3.29Å; T412-A415 PolarHBondContact O-N 3.47Å; T412-A415 VanDerWaalsContact O-N 3.15Å; T412-W451 HydrophobicContact CG2-CH2 4.37Å; T412-W451 HydrophobicContact CG2-CZ2 4.38Å |
| 413 | P | 89.3 | Confident | 89 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59 | -32.7 | 175.3 | 19.5 | -32.5 | 0 | 0 | 0 | 113.6 | T339 L393 G410 A415 L417 C535 F568 | T339-P413 VanDerWaalsContact CG2-CA 3.49Å; T339-P413 HydrophobicContact CG2-CB 3.65Å; T339-P413 HydrophobicContact CG2-CG 4.39Å; L393-P413 HydrophobicContact CD2-CB 3.84Å; L393-P413 VanDerWaalsContact CD2-O 3.22Å; L393-P413 WeakPolarHBondContact CD2-O 3.37Å; G410-P413 WeakPolarHBondContact O-CD 3.4Å; G410-P413 WeakPolarHBondContact O-CG 3.32Å; P413-A415 VanDerWaalsContact C-N 3.34Å; P413-L417 PolarHBondContact O-N 2.82Å; P413-C535 HydrophobicContact CG-CB 4.09Å; P413-F568 HydrophobicContact CG-CE2 4.37Å; P413-F568 HydrophobicContact CG-CZ 4.41Å |
| 414 | F | 90.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -77.3 | -21.5 | -178.5 | -59.2 | -78.4 | 0 | 0 | 0 | 112.6 | L393 C404 A406 V411 T412 L417 L418 F439 F533 C535 | L393-F414 HydrophobicContact CD1-CD1 3.87Å; L393-F414 HydrophobicContact CD1-CE1 3.46Å; L393-F414 VanDerWaalsContact CD1-CE1 3.46Å; L393-F414 HydrophobicContact CD1-CZ 4.28Å; L393-F414 HydrophobicContact CD2-CD1 4.1Å; L393-F414 HydrophobicContact CD2-CE1 4.39Å; C404-F414 HydrophobicContact CB-CD1 3.51Å; C404-F414 HydrophobicContact CB-CE1 3.38Å; C404-F414 HydrophobicContact CB-CG 4.48Å; C404-F414 HydrophobicContact CB-CZ 4.27Å; A406-F414 HydrophobicContact CB-CD2 3.75Å; A406-F414 HydrophobicContact CB-CE2 3.84Å; V411-F414 WeakPolarHBondContact O-CA 3.19Å; V411-F414 WeakPolarHBondContact O-CB 3.27Å; V411-F414 PolarHBondContact O-N 3.27Å; T412-F414 PolarHBondContact O-N 2.87Å; F414-L417 HydrophobicContact CD1-CD2 4.03Å; F414-L417 PolarHBondContact O-N 3.5Å; F414-L418 WeakPolarHBondContact O-CB 3.35Å; F414-L418 VanDerWaalsContact O-CG 3.27Å; F414-L418 WeakPolarHBondContact O-CG 3.46Å; F414-L418 PolarHBondContact O-N 3.06Å; F414-F439 HydrophobicContact CB-CD2 4.39Å; F414-F439 HydrophobicContact CB-CE2 3.62Å; F414-F439 HydrophobicContact CB-CZ 4.48Å; F414-F439 HydrophobicContact CD2-CE2 4.44Å; F414-F439 AromaticContact CG-CE2 3.97Å; F414-F439 HydrophobicContact CG-CE2 3.97Å; F414-F533 HydrophobicContact CE1-CB 4.04Å; F414-F533 HydrophobicContact CZ-CB 4.31Å; F414-C535 HydrophobicContact CE2-CB 3.84Å; F414-C535 HydrophobicContact CZ-CB 4.49Å |
| 415 | A | 89 | Confident | 87.4 | Confident | 2 Ų | 2 | 17 Ų | 17 | 2% | 0.017 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.9 | -52.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | V411 T412 P413 L417 L418 K419 W451 F452 L455 | V411-A415 PolarHBondContact O-N 3.49Å; T412-A415 WeakPolarHBondContact O-CB 3.29Å; T412-A415 PolarHBondContact O-N 3.47Å; T412-A415 VanDerWaalsContact O-N 3.15Å; P413-A415 VanDerWaalsContact C-N 3.34Å; A415-L417 VanDerWaalsContact C-N 3.28Å; A415-L417 PolarHBondContact O-N 2.99Å; A415-L418 PolarHBondContact O-N 3.02Å; A415-K419 WeakPolarHBondContact O-CG 3.32Å; A415-K419 PolarHBondContact O-N 3.32Å; A415-K419 VanDerWaalsContact O-N 3.1Å; A415-W451 HydrophobicContact CB-CH2 4.25Å; A415-W451 HydrophobicContact CB-CZ3 4.29Å; A415-F452 HydrophobicContact CB-CD2 4.21Å; A415-F452 HydrophobicContact CB-CE2 3.72Å; A415-L455 HydrophobicContact CB-CD2 4.02Å |
| 416 | A | 89.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.8 | -37.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | P319 L340 T341 S342 S420 | P319-A416 HydrophobicContact CB-CB 4.38Å; L340-A416 VanDerWaalsContact O-CB 3.25Å; L340-A416 WeakPolarHBondContact O-CB 3.39Å; T341-A416 WeakPolarHBondContact O-CA 3.36Å; T341-A416 PolarHBondContact O-N 2.86Å; S342-A416 WeakPolarHBondContact O-CB 3.38Å; A416-S420 VanDerWaalsContact O-CB 3.25Å; A416-S420 WeakPolarHBondContact O-CB 3.27Å; A416-S420 PolarHBondContact O-N 3.41Å |
| 417 | L | 89.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64 | -51.9 | 177.5 | 176.3 | 71.5 | 0 | 0 | 0 | 111.8 | P319 L393 V396 F397 P413 F414 A415 K419 S420 I421 | P319-L417 HydrophobicContact CB-CB 4.34Å; P319-L417 HydrophobicContact CB-CD1 4.41Å; L393-L417 HydrophobicContact CD1-CD2 3.94Å; L393-L417 HydrophobicContact CD2-CB 3.83Å; L393-L417 HydrophobicContact CD2-CD2 4.05Å; L393-L417 HydrophobicContact CD2-CG 4.41Å; L393-L417 HydrophobicContact CG-CB 4.43Å; L393-L417 HydrophobicContact CG-CD1 4.47Å; L393-L417 HydrophobicContact CG-CD2 4.01Å; V396-L417 HydrophobicContact CB-CD1 3.94Å; V396-L417 HydrophobicContact CB-CD2 4.41Å; V396-L417 HydrophobicContact CG1-CD1 3.89Å; V396-L417 HydrophobicContact CG1-CD2 4.1Å; V396-L417 HydrophobicContact CG2-CD1 4.12Å; V396-L417 HydrophobicContact CG2-CD2 3.87Å; F397-L417 HydrophobicContact CE2-CD1 4.04Å; F397-L417 HydrophobicContact CZ-CD1 3.97Å; P413-L417 PolarHBondContact O-N 2.82Å; F414-L417 HydrophobicContact CD1-CD2 4.03Å; F414-L417 PolarHBondContact O-N 3.5Å; A415-L417 VanDerWaalsContact C-N 3.28Å; A415-L417 PolarHBondContact O-N 2.99Å; L417-K419 VanDerWaalsContact C-N 3.35Å; L417-K419 PolarHBondContact O-N 3.16Å; L417-S420 CarbonylContact O-C 3.42Å; L417-S420 PolarHBondContact O-N 2.93Å; L417-S420 VanDerWaalsContact O-N 3.13Å; L417-I421 HydrophobicContact CD1-CD1 4.11Å; L417-I421 HydrophobicContact CD1-CG1 4.3Å; L417-I421 HydrophobicContact CD2-CD1 4.3Å; L417-I421 HydrophobicContact CG-CD1 3.78Å; L417-I421 HydrophobicContact CG-CG1 4.36Å; L417-I421 VanDerWaalsContact O-CG1 3.31Å; L417-I421 WeakPolarHBondContact O-CG1 3.26Å; L417-I421 PolarHBondContact O-N 3.31Å |
| 418 | L | 89 | Confident | 84 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -42.6 | -176.7 | -70.8 | 176.3 | 0 | 0 | 0 | 111.3 | F414 A415 S420 I421 W422 F439 F452 L456 L459 L472 | F414-L418 WeakPolarHBondContact O-CB 3.35Å; F414-L418 VanDerWaalsContact O-CG 3.27Å; F414-L418 WeakPolarHBondContact O-CG 3.46Å; F414-L418 PolarHBondContact O-N 3.06Å; A415-L418 PolarHBondContact O-N 3.02Å; L418-S420 PolarHBondContact O-N 3.15Å; L418-I421 HydrophobicContact CD2-CD1 4.44Å; L418-I421 WeakPolarHBondContact O-CB 3.5Å; L418-I421 PolarHBondContact O-N 2.96Å; L418-W422 PolarHBondContact O-N 3.32Å; L418-W422 VanDerWaalsContact O-N 3.09Å; L418-F439 HydrophobicContact CD1-CD2 4.35Å; L418-F439 HydrophobicContact CD1-CE2 4.34Å; L418-F439 HydrophobicContact CD1-CG 4.49Å; L418-F439 HydrophobicContact CD1-CZ 4.43Å; L418-F452 HydrophobicContact CD1-CE1 4.19Å; L418-F452 HydrophobicContact CD1-CZ 3.68Å; L418-L456 HydrophobicContact CD1-CD2 3.89Å; L418-L459 HydrophobicContact CB-CD1 3.63Å; L418-L459 HydrophobicContact CD1-CD1 4.32Å; L418-L459 HydrophobicContact CG-CD1 4.49Å; L418-L472 HydrophobicContact CD2-CD1 3.78Å; L418-L472 HydrophobicContact CD2-CD2 4.08Å |
| 419 | K | 88.9 | Confident | 82.5 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 17% | 0.17 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 170.7 | -70.4 | 179.6 | 170.6 | -163.8 | 0 | 111.8 | A343 E346 A415 L417 I421 W422 Y423 L455 | A343-K419 HydrophobicContact CB-CB 3.7Å; A343-K419 HydrophobicContact CB-CD 4.43Å; E346-K419 IonicContact OE1-NZ 3.64Å; E346-K419 PolarHBondContact OE1-NZ 3.45Å; E346-K419 IonicContact OE2-NZ 2.86Å; A415-K419 WeakPolarHBondContact O-CG 3.32Å; A415-K419 PolarHBondContact O-N 3.32Å; A415-K419 VanDerWaalsContact O-N 3.1Å; L417-K419 VanDerWaalsContact C-N 3.35Å; L417-K419 PolarHBondContact O-N 3.16Å; K419-I421 VanDerWaalsContact C-N 3.34Å; K419-I421 PolarHBondContact O-N 3.33Å; K419-W422 WeakPolarHBondContact O-CB 3.31Å; K419-W422 PolarHBondContact O-N 3.15Å; K419-Y423 WeakPolarHBondContact O-CD2 3.43Å; K419-Y423 PolarHBondContact O-N 3.46Å; K419-L455 HydrophobicContact CD-CD1 4.33Å; K419-L455 HydrophobicContact CG-CD1 3.56Å; K419-L455 HydrophobicContact CG-CD2 4.26Å |
| 420 | S | 88.5 | Confident | 81.6 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66 | -34.4 | 179.6 | 179.2 | 0 | 0 | 0 | 0 | 113.2 | P319 A416 L417 L418 W422 K424 | P319-S420 VanDerWaalsContact CG-CB 3.4Å; P319-S420 WeakPolarHBondContact CG-OG 3.37Å; A416-S420 VanDerWaalsContact O-CB 3.25Å; A416-S420 WeakPolarHBondContact O-CB 3.27Å; A416-S420 PolarHBondContact O-N 3.41Å; L417-S420 CarbonylContact O-C 3.42Å; L417-S420 PolarHBondContact O-N 2.93Å; L417-S420 VanDerWaalsContact O-N 3.13Å; L418-S420 PolarHBondContact O-N 3.15Å; S420-W422 VanDerWaalsContact C-N 3.31Å; S420-K424 WeakPolarHBondContact O-CB 3.48Å; S420-K424 WeakPolarHBondContact O-CG 2.87Å; S420-K424 PolarHBondContact O-N 2.96Å; S420-K424 VanDerWaalsContact O-N 3.11Å |
| 421 | I | 85 | Confident | 80.6 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 173 | -76.4 | 166.9 | 0 | 0 | 0 | 108.7 | F397 L417 L418 K419 K424 C425 L434 V437 F471 | F397-I421 HydrophobicContact CE1-CG1 3.68Å; F397-I421 HydrophobicContact CZ-CG1 3.99Å; L417-I421 HydrophobicContact CD1-CD1 4.11Å; L417-I421 HydrophobicContact CD1-CG1 4.3Å; L417-I421 HydrophobicContact CD2-CD1 4.3Å; L417-I421 HydrophobicContact CG-CD1 3.78Å; L417-I421 HydrophobicContact CG-CG1 4.36Å; L417-I421 VanDerWaalsContact O-CG1 3.31Å; L417-I421 WeakPolarHBondContact O-CG1 3.26Å; L417-I421 PolarHBondContact O-N 3.31Å; L418-I421 HydrophobicContact CD2-CD1 4.44Å; L418-I421 WeakPolarHBondContact O-CB 3.5Å; L418-I421 PolarHBondContact O-N 2.96Å; K419-I421 VanDerWaalsContact C-N 3.34Å; K419-I421 PolarHBondContact O-N 3.33Å; I421-K424 PolarHBondContact O-N 3.4Å; I421-C425 WeakPolarHBondContact O-CB 3.25Å; I421-C425 PolarHBondContact O-N 3.36Å; I421-C425 PolarHBondContact O-SG 3.23Å; I421-L434 HydrophobicContact CD1-CD2 4.23Å; I421-L434 HydrophobicContact CG1-CD2 4.37Å; I421-V437 HydrophobicContact CD1-CG2 4.12Å; I421-F471 HydrophobicContact CG2-CD1 4.31Å; I421-F471 HydrophobicContact CG2-CE1 3.41Å; I421-F471 VanDerWaalsContact CG2-CE1 3.41Å; I421-F471 HydrophobicContact CG2-CZ 3.96Å |
| 422 | W | 82.8 | Confident | 80 | Confident | 45 Ų | 45 | 47.2 Ų | 47.2 | 17% | 0.17 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60 | -48.8 | 179 | 164.7 | 62.2 | 0 | 0 | 0 | 113 | L418 K419 S420 K424 C425 S426 L459 | L418-W422 PolarHBondContact O-N 3.32Å; L418-W422 VanDerWaalsContact O-N 3.09Å; K419-W422 WeakPolarHBondContact O-CB 3.31Å; K419-W422 PolarHBondContact O-N 3.15Å; S420-W422 VanDerWaalsContact C-N 3.31Å; W422-K424 VanDerWaalsContact C-N 3.32Å; W422-K424 PolarHBondContact O-N 3.49Å; W422-C425 PolarHBondContact O-N 3.45Å; W422-S426 PolarHBondContact NE1-OG 3Å; W422-S426 WeakPolarHBondContact O-CB 3.36Å; W422-S426 PolarHBondContact O-N 3.45Å; W422-S426 PolarHBondContact O-OG 3.34Å; W422-L459 HydrophobicContact CB-CD2 3.4Å; W422-L459 VanDerWaalsContact CB-CD2 3.4Å; W422-L459 HydrophobicContact CG-CD2 3.94Å |
| 423 | Y | 84.4 | Confident | 79.8 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 25% | 0.247 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.7 | -48 | 176.3 | -78.7 | -68.7 | 0 | 0 | 0 | 111.6 | A343 Q345 E346 K419 C425 S426 E427 | A343-Y423 HydrophobicContact CB-CD2 3.88Å; A343-Y423 HydrophobicContact CB-CE2 3.8Å; Q345-Y423 HydrophobicContact CB-CD1 3.91Å; Q345-Y423 HydrophobicContact CB-CD2 3.77Å; Q345-Y423 HydrophobicContact CB-CE1 4.13Å; Q345-Y423 HydrophobicContact CB-CE2 4.02Å; Q345-Y423 HydrophobicContact CB-CG 3.73Å; Q345-Y423 HydrophobicContact CG-CD1 4.21Å; Q345-Y423 HydrophobicContact CG-CD2 4.12Å; Q345-Y423 HydrophobicContact CG-CG 3.79Å; E346-Y423 HydrophobicContact CG-CE2 4.33Å; K419-Y423 WeakPolarHBondContact O-CD2 3.43Å; K419-Y423 PolarHBondContact O-N 3.46Å; Y423-C425 VanDerWaalsContact C-N 3.34Å; Y423-C425 PolarHBondContact O-N 3.1Å; Y423-S426 PolarHBondContact O-N 3.24Å; Y423-S426 VanDerWaalsContact O-N 3.17Å; Y423-E427 PolarHBondContact O-N 3.04Å; Y423-E427 VanDerWaalsContact O-N 3.16Å |
| 424 | K | 81.6 | Confident | 79.7 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.9 | -31.2 | 179.6 | -70.9 | -176.7 | 175.3 | -164.1 | 0 | 113.6 | F397 S420 I421 W422 S426 L432 | F397-K424 HydrophobicContact CD1-CD 4.39Å; F397-K424 HydrophobicContact CE1-CD 3.88Å; F397-K424 HydrophobicContact CZ-CD 4.01Å; S420-K424 WeakPolarHBondContact O-CB 3.48Å; S420-K424 WeakPolarHBondContact O-CG 2.87Å; S420-K424 PolarHBondContact O-N 2.96Å; S420-K424 VanDerWaalsContact O-N 3.11Å; I421-K424 PolarHBondContact O-N 3.4Å; W422-K424 VanDerWaalsContact C-N 3.32Å; W422-K424 PolarHBondContact O-N 3.49Å; K424-S426 VanDerWaalsContact C-N 3.31Å; K424-L432 HydrophobicContact CB-CD1 4.02Å; K424-L432 HydrophobicContact CB-CD2 4.27Å; K424-L432 HydrophobicContact CD-CD2 4.05Å |
| 425 | C | 75.4 | Confident | 79.6 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 10% | 0.095 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.4 | -23.3 | 174.9 | -75.1 | 0 | 0 | 0 | 0 | 112.8 | I421 W422 Y423 K468 | I421-C425 WeakPolarHBondContact O-CB 3.25Å; I421-C425 PolarHBondContact O-N 3.36Å; I421-C425 PolarHBondContact O-SG 3.23Å; W422-C425 PolarHBondContact O-N 3.45Å; Y423-C425 VanDerWaalsContact C-N 3.34Å; Y423-C425 PolarHBondContact O-N 3.1Å; C425-K468 PolarHBondContact O-NZ 2.93Å |
| 426 | S | 74 | Confident | 79.7 | Confident | 51 Ų | 51 | 58 Ų | 58 | 36% | 0.357 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -85.9 | -24.3 | 179 | -56.6 | 0 | 0 | 0 | 0 | 112.6 | W422 Y423 K424 A428 Q466 | W422-S426 PolarHBondContact NE1-OG 3Å; W422-S426 WeakPolarHBondContact O-CB 3.36Å; W422-S426 PolarHBondContact O-N 3.45Å; W422-S426 PolarHBondContact O-OG 3.34Å; Y423-S426 PolarHBondContact O-N 3.24Å; Y423-S426 VanDerWaalsContact O-N 3.17Å; K424-S426 VanDerWaalsContact C-N 3.31Å; S426-A428 PolarHBondContact O-N 3.02Å; S426-Q466 PolarHBondContact OG-NE2 2.98Å |
| 427 | E | 78.1 | Confident | 79.8 | Confident | 101 Ų | 101 | 58 Ų | 58 | 47% | 0.472 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -75.3 | 118.2 | 172.9 | -74.2 | 173.8 | 179.3 | 0 | 0 | 111.3 | Y423 Q429 T430 | Y423-E427 PolarHBondContact O-N 3.04Å; Y423-E427 VanDerWaalsContact O-N 3.16Å; E427-Q429 PolarHBondContact O-N 3.45Å; E427-Q429 VanDerWaalsContact O-N 3.09Å; E427-T430 PolarHBondContact O-N 3.15Å |
| 428 | A | 56.2 | Low | 80 | Confident | 111 Ų | 111 | 59.3 Ų | 59.3 | 92% | 0.917 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S426 | S426-A428 PolarHBondContact O-N 3.02Š|
| 429 | Q | 55.3 | Low | 80.3 | Confident | 190 Ų | 190 | 59.2 Ų | 59.2 | 89% | 0.888 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -4.4 | -173.7 | -76.2 | 178.5 | -17 | 0 | 0 | 114.8 | E427 | E427-Q429 PolarHBondContact O-N 3.45Å; E427-Q429 VanDerWaalsContact O-N 3.09Å |
| 430 | T | 63.3 | Low | 80.5 | Confident | 57 Ų | 57 | 57.4 Ų | 57.4 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | trans | -101.9 | 99.1 | -172.3 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | E427 L432 | E427-T430 PolarHBondContact O-N 3.15Å; T430-L432 HydrophobicContact CG2-CD2 3.81Å; T430-L432 HydrophobicContact CG2-CG 4.26Å; T430-L432 PolarHBondContact O-N 3.39Å; T430-L432 VanDerWaalsContact O-N 3.13Å | ||
| 431 | Q | 65.2 | Low | 80.7 | Confident | 195 Ų | 195 | 57.5 Ų | 57.5 | 91% | 0.911 | 30% | 0.299 | S | S | * | . | trans | -73.4 | 101.8 | 167.7 | -74.5 | -166.8 | -9.3 | 0 | 0 | 110.3 | ||||
| 432 | L | 75.2 | Confident | 81.1 | Confident | 43 Ų | 43 | 58 Ų | 58 | 23% | 0.225 | 30% | 0.302 | C | S | . | . | trans | -80.6 | 133.1 | 173 | -63 | 175.6 | 0 | 0 | 0 | 110.1 | F397 K424 T430 L434 | F397-L432 HydrophobicContact CD1-CD2 4.09Å; K424-L432 HydrophobicContact CB-CD1 4.02Å; K424-L432 HydrophobicContact CB-CD2 4.27Å; K424-L432 HydrophobicContact CD-CD2 4.05Å; T430-L432 HydrophobicContact CG2-CD2 3.81Å; T430-L432 HydrophobicContact CG2-CG 4.26Å; T430-L432 PolarHBondContact O-N 3.39Å; T430-L432 VanDerWaalsContact O-N 3.13Å; L432-L434 PolarHBondContact O-N 3.02Å | ||
| 433 | K | 84.9 | Confident | 81.4 | Confident | 136 Ų | 136 | 56.3 Ų | 56.3 | 59% | 0.591 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -64.4 | -31.1 | 167.8 | -175.7 | 173.5 | 175.8 | -160.8 | 0 | 111.7 | H398 P400 S435 | H398-K433 VanDerWaalsContact O-CD 3.31Å; H398-K433 WeakPolarHBondContact O-CD 3.45Å; H398-K433 WeakPolarHBondContact O-CE 3.48Å; H398-K433 PolarHBondContact O-NZ 3.01Å; P400-K433 WeakPolarHBondContact CA-O 3.19Å; K433-S435 PolarHBondContact O-N 3.22Å |
| 434 | L | 87.5 | Confident | 81.5 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | trans | -67.9 | 118.1 | 177.7 | -177.3 | 68.9 | 0 | 0 | 0 | 110.7 | V396 F397 Y399 S402 I421 L432 V437 F471 | V396-L434 HydrophobicContact CG1-CD2 3.96Å; F397-L434 HydrophobicContact CD1-CD2 4.23Å; Y399-L434 VanDerWaalsContact O-CA 3.31Å; Y399-L434 WeakPolarHBondContact O-CA 3.46Å; Y399-L434 VanDerWaalsContact O-CD1 3.31Å; Y399-L434 WeakPolarHBondContact O-CD1 3.43Å; S402-L434 WeakPolarHBondContact OG-CD1 3.36Å; I421-L434 HydrophobicContact CD1-CD2 4.23Å; I421-L434 HydrophobicContact CG1-CD2 4.37Å; L432-L434 PolarHBondContact O-N 3.02Å; L434-V437 HydrophobicContact CD1-CG2 3.98Å; L434-V437 HydrophobicContact CD2-CG2 3.67Å; L434-V437 HydrophobicContact CG-CG2 3.99Å; L434-F471 HydrophobicContact CD2-CZ 4.08Å; L434-F471 HydrophobicContact CG-CZ 4.08Å; L434-F471 WeakPolarHBondContact O-CE2 3.29Å | ||
| 435 | S | 87.2 | Confident | 81.6 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | trans | -110.3 | -26.9 | 179.9 | 61 | 0 | 0 | 0 | 0 | 113.5 | P400 K433 F471 | P400-S435 PolarHBondContact O-N 3.4Å; P400-S435 PolarHBondContact O-OG 3.43Å; P400-S435 VanDerWaalsContact O-OG 3.04Å; K433-S435 PolarHBondContact O-N 3.22Å; S435-F471 VanDerWaalsContact O-CD2 3.28Å; S435-F471 WeakPolarHBondContact O-CD2 3.37Å | ||
| 436 | K | 91.4 | Very high | 81.8 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 134 | -177 | -174.8 | 67.7 | 176.9 | 172.8 | 0 | 111.9 | P400 V401 S402 Y438 H470 S473 | P400-K436 PolarHBondContact O-N 3.37Å; V401-K436 WeakPolarHBondContact CA-O 3.48Å; V401-K436 HydrophobicContact CG1-CB 4.35Å; V401-K436 HydrophobicContact CG2-CB 4.38Å; S402-K436 PolarHBondContact N-O 2.88Å; K436-Y438 HydrophobicContact CG-CD2 4.17Å; K436-Y438 HydrophobicContact CG-CE2 3.6Å; K436-H470 WeakPolarHBondContact CD-O 3.44Å; K436-H470 WeakPolarHBondContact CE-O 3.3Å; K436-H470 PolarHBondContact NZ-O 3.49Å; K436-S473 PolarHBondContact NZ-OG 3.17Å |
| 437 | V | 92.4 | Very high | 82 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124 | 174.1 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | S402 I421 L434 F471 L472 S473 | S402-V437 WeakPolarHBondContact O-CA 3.32Å; I421-V437 HydrophobicContact CD1-CG2 4.12Å; L434-V437 HydrophobicContact CD1-CG2 3.98Å; L434-V437 HydrophobicContact CD2-CG2 3.67Å; L434-V437 HydrophobicContact CG-CG2 3.99Å; V437-F471 HydrophobicContact CG2-CE1 3.78Å; V437-F471 HydrophobicContact CG2-CZ 4.26Å; V437-F471 PolarHBondContact N-O 3.01Å; V437-L472 HydrophobicContact CB-CD1 3.88Å; V437-L472 HydrophobicContact CG1-CD1 3.71Å; V437-S473 PolarHBondContact O-N 3.13Å |
| 438 | Y | 94.4 | Very high | 81.9 | Confident | 29 Ų | 29 | 60.8 Ų | 60.8 | 11% | 0.114 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 119.3 | 165.9 | -64 | -90.1 | 0 | 0 | 0 | 108.4 | V401 S402 V403 C404 K436 S473 I521 H525 | V401-Y438 HydrophobicContact CG1-CD2 3.98Å; V401-Y438 HydrophobicContact CG1-CE2 3.81Å; S402-Y438 PolarHBondContact O-N 3.27Å; V403-Y438 CarbonylContact C-O 3.56Å; V403-Y438 WeakPolarHBondContact CA-O 3.43Å; V403-Y438 HydrophobicContact CG2-CD2 4.25Å; C404-Y438 PolarHBondContact N-O 3.1Å; K436-Y438 HydrophobicContact CG-CD2 4.17Å; K436-Y438 HydrophobicContact CG-CE2 3.6Å; Y438-S473 CarbonylContact C-O 3.52Å; Y438-S473 WeakPolarHBondContact CA-O 3.38Å; Y438-I521 HydrophobicContact CE1-CG1 4.43Å; Y438-I521 HydrophobicContact CE2-CG1 4.39Å; Y438-I521 HydrophobicContact CG-CD1 4.44Å; Y438-H525 AromaticContact CE2-NE2 3.57Å; Y438-H525 AromaticContact CZ-NE2 3.7Å; Y438-H525 PolarHBondContact OH-NE2 2.64Å |
| 439 | F | 93.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.7 | 178.2 | 179.3 | -105.4 | 0 | 0 | 0 | 109.4 | C404 V411 F414 L418 W441 F452 L456 L472 S473 Y474 H475 | C404-F439 HydrophobicContact CB-CD2 3.86Å; C404-F439 CarbonylContact O-C 3.55Å; C404-F439 WeakPolarHBondContact O-CA 3.5Å; V411-F439 HydrophobicContact CG2-CE2 4.4Å; V411-F439 HydrophobicContact CG2-CZ 3.71Å; F414-F439 HydrophobicContact CB-CD2 4.39Å; F414-F439 HydrophobicContact CB-CE2 3.62Å; F414-F439 HydrophobicContact CB-CZ 4.48Å; F414-F439 HydrophobicContact CD2-CE2 4.44Å; F414-F439 AromaticContact CG-CE2 3.97Å; F414-F439 HydrophobicContact CG-CE2 3.97Å; L418-F439 HydrophobicContact CD1-CD2 4.35Å; L418-F439 HydrophobicContact CD1-CE2 4.34Å; L418-F439 HydrophobicContact CD1-CG 4.49Å; L418-F439 HydrophobicContact CD1-CZ 4.43Å; F439-W441 HydrophobicContact CE1-CB 3.78Å; F439-W441 HydrophobicContact CZ-CB 3.98Å; F439-F452 AromaticContact CE1-CE1 3.49Å; F439-F452 HydrophobicContact CE1-CE1 3.49Å; F439-F452 VanDerWaalsContact CE1-CE1 3.49Å; F439-F452 AromaticContact CE1-CZ 3.99Å; F439-F452 HydrophobicContact CE1-CZ 3.99Å; F439-F452 HydrophobicContact CE2-CZ 4.23Å; F439-F452 AromaticContact CZ-CE1 3.45Å; F439-F452 HydrophobicContact CZ-CE1 3.45Å; F439-F452 VanDerWaalsContact CZ-CE1 3.45Å; F439-F452 AromaticContact CZ-CZ 3.47Å; F439-F452 HydrophobicContact CZ-CZ 3.47Å; F439-F452 VanDerWaalsContact CZ-CZ 3.47Å; F439-L456 HydrophobicContact CD1-CD2 4.36Å; F439-L456 HydrophobicContact CE1-CD1 4.37Å; F439-L456 HydrophobicContact CE1-CD2 4.37Å; F439-L472 HydrophobicContact CB-CD1 4.12Å; F439-S473 PolarHBondContact N-O 3.35Å; F439-Y474 CarbonylContact O-C 3.53Å; F439-Y474 VanDerWaalsContact O-CA 3.25Å; F439-Y474 WeakPolarHBondContact O-CA 3.28Å; F439-H475 PolarHBondContact O-N 3.05Å |
| 440 | Y | 94.3 | Very high | 83.8 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.6 | 177.2 | -67 | -93.1 | 0 | 0 | 0 | 108.3 | V403 C404 I405 A406 H475 F477 W514 E517 I521 | V403-Y440 HydrophobicContact CG1-CD2 3.98Å; V403-Y440 HydrophobicContact CG1-CE2 3.87Å; C404-Y440 PolarHBondContact O-N 3.37Å; I405-Y440 WeakPolarHBondContact CA-O 3.45Å; I405-Y440 HydrophobicContact CG1-CD2 4.07Å; I405-Y440 HydrophobicContact CG1-CG 4.41Å; A406-Y440 PolarHBondContact N-O 2.67Å; Y440-H475 WeakPolarHBondContact CA-O 3.44Å; Y440-H475 HydrophobicContact CD1-CB 3.78Å; Y440-H475 HydrophobicContact CE1-CB 3.88Å; Y440-H475 AromaticContact CE1-CG 3.82Å; Y440-H475 AromaticContact CE1-ND1 3.62Å; Y440-H475 AromaticContact CZ-ND1 3.71Å; Y440-F477 HydrophobicContact CD1-CD2 4.5Å; Y440-F477 AromaticContact CD1-CE2 3.81Å; Y440-F477 HydrophobicContact CD1-CE2 3.81Å; Y440-F477 HydrophobicContact CE1-CE2 4.26Å; Y440-W514 HydrophobicContact CD1-CH2 4.33Å; Y440-W514 HydrophobicContact CD1-CZ3 4.17Å; Y440-W514 HydrophobicContact CD2-CZ3 4.44Å; Y440-W514 HydrophobicContact CG-CH2 4.19Å; Y440-W514 HydrophobicContact CG-CZ3 4.15Å; Y440-E517 HydrophobicContact CE1-CG 4.22Å; Y440-E517 PolarHBondContact OH-OE2 2.89Å; Y440-E517 VanDerWaalsContact OH-OE2 3.05Å; Y440-I521 HydrophobicContact CE2-CD1 4.46Å |
| 441 | W | 92.8 | Very high | 84.3 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 120.5 | 174.1 | -175.3 | 21.1 | 0 | 0 | 0 | 111.1 | G408 V411 F439 A448 F449 F452 H475 I476 F477 | G408-W441 PolarHBondContact O-NE1 3.47Å; V411-W441 HydrophobicContact CB-CD2 4.33Å; V411-W441 HydrophobicContact CB-CG 4.47Å; V411-W441 HydrophobicContact CB-CZ2 4.17Å; V411-W441 HydrophobicContact CG1-CH2 4.39Å; V411-W441 HydrophobicContact CG1-CZ2 3.76Å; V411-W441 HydrophobicContact CG2-CD2 3.8Å; V411-W441 HydrophobicContact CG2-CE3 4.28Å; V411-W441 HydrophobicContact CG2-CG 3.97Å; V411-W441 HydrophobicContact CG2-CZ2 4.25Å; F439-W441 HydrophobicContact CE1-CB 3.78Å; F439-W441 HydrophobicContact CZ-CB 3.98Å; W441-A448 WeakPolarHBondContact CH2-O 3.48Å; W441-F449 AromaticContact CD2-CD1 3.78Å; W441-F449 HydrophobicContact CD2-CD1 3.78Å; W441-F449 AromaticContact CD2-CE1 3.66Å; W441-F449 HydrophobicContact CD2-CE1 3.66Å; W441-F449 AromaticContact CE2-CD1 3.88Å; W441-F449 AromaticContact CE2-CE1 3.85Å; W441-F449 AromaticContact CE3-CD1 3.49Å; W441-F449 HydrophobicContact CE3-CD1 3.49Å; W441-F449 VanDerWaalsContact CE3-CD1 3.49Å; W441-F449 AromaticContact CE3-CE1 3.79Å; W441-F449 HydrophobicContact CE3-CE1 3.79Å; W441-F449 HydrophobicContact CG-CE1 4.19Å; W441-F449 HydrophobicContact CH2-CB 4.36Å; W441-F449 AromaticContact CH2-CD1 3.53Å; W441-F449 HydrophobicContact CH2-CD1 3.53Å; W441-F449 HydrophobicContact CH2-CE1 4.33Å; W441-F449 HydrophobicContact CH2-CG 4.39Å; W441-F449 AromaticContact CZ2-CD1 3.77Å; W441-F449 HydrophobicContact CZ2-CD1 3.77Å; W441-F449 HydrophobicContact CZ2-CE1 4.17Å; W441-F449 HydrophobicContact CZ3-CB 4.3Å; W441-F449 AromaticContact CZ3-CD1 3.37Å; W441-F449 HydrophobicContact CZ3-CD1 3.37Å; W441-F449 HydrophobicContact CZ3-CE1 4.13Å; W441-F449 HydrophobicContact CZ3-CG 4.31Å; W441-F452 AromaticContact CE3-CD1 3.64Å; W441-F452 HydrophobicContact CE3-CD1 3.64Å; W441-F452 HydrophobicContact CE3-CE1 4.18Å; W441-F452 HydrophobicContact CE3-CG 4.28Å; W441-F452 HydrophobicContact CH2-CB 3.42Å; W441-F452 VanDerWaalsContact CH2-CB 3.42Å; W441-F452 HydrophobicContact CH2-CD1 4.07Å; W441-F452 AromaticContact CH2-CG 3.89Å; W441-F452 HydrophobicContact CH2-CG 3.89Å; W441-F452 HydrophobicContact CZ3-CB 3.42Å; W441-F452 VanDerWaalsContact CZ3-CB 3.42Å; W441-F452 AromaticContact CZ3-CD1 3.3Å; W441-F452 HydrophobicContact CZ3-CD1 3.3Å; W441-F452 HydrophobicContact CZ3-CE1 4.26Å; W441-F452 AromaticContact CZ3-CG 3.59Å; W441-F452 HydrophobicContact CZ3-CG 3.59Å; W441-H475 PolarHBondContact N-O 2.83Å; W441-I476 CarbonylContact O-C 3.57Å; W441-I476 WeakPolarHBondContact O-CA 3.41Å; W441-F477 PolarHBondContact O-N 3.44Å |
| 442 | I | 92.8 | Very high | 84.9 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.4 | -176.3 | -56.9 | 148.6 | 0 | 0 | 0 | 108.2 | I405 A406 A407 G408 F477 T479 P512 W514 L540 | I405-I442 HydrophobicContact CG2-CD1 4.17Å; A406-I442 PolarHBondContact O-N 2.87Å; A407-I442 CarbonylContact C-O 3.57Å; A407-I442 VanDerWaalsContact CA-O 3.26Å; A407-I442 WeakPolarHBondContact CA-O 3.38Å; G408-I442 PolarHBondContact N-O 3.25Å; I442-F477 WeakPolarHBondContact CA-O 3.36Å; I442-F477 HydrophobicContact CB-CB 4.43Å; I442-F477 HydrophobicContact CG1-CB 4Å; I442-F477 HydrophobicContact CG1-CD2 4.49Å; I442-F477 HydrophobicContact CG1-CG 4.49Å; I442-F477 HydrophobicContact CG2-CB 4.42Å; I442-T479 HydrophobicContact CG2-CG2 3.63Å; I442-P512 HydrophobicContact CD1-CG 3.87Å; I442-P512 HydrophobicContact CG1-CG 3.91Å; I442-W514 HydrophobicContact CD1-CH2 3.94Å; I442-W514 HydrophobicContact CD1-CZ2 3.46Å; I442-W514 VanDerWaalsContact CD1-CZ2 3.46Å; I442-L540 HydrophobicContact CD1-CD2 3.97Å |
| 443 | C | 89.1 | Confident | 85 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 158.8 | 177.4 | -157.7 | 0 | 0 | 0 | 0 | 111.6 | D445 F449 F477 T479 | C443-D445 PolarHBondContact SG-O 3.26Å; C443-F449 HydrophobicContact CB-CD1 4.28Å; C443-F449 HydrophobicContact CB-CE1 3.41Å; C443-F449 VanDerWaalsContact CB-CE1 3.41Å; C443-F449 HydrophobicContact CB-CE2 4.18Å; C443-F449 HydrophobicContact CB-CZ 3.35Å; C443-F477 PolarHBondContact N-O 3.45Å; C443-T479 PolarHBondContact O-N 3.34Å; C443-T479 PolarHBondContact O-OG1 3.45Å |
| 444 | R | 86.9 | Confident | 84.7 | Confident | 178 Ų | 178 | 37.6 Ų | 37.6 | 67% | 0.672 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -99.3 | -25.6 | 171.7 | -71.6 | 178.5 | 65.1 | 85.8 | -2.2 | 112.6 | T479 | R444-T479 VanDerWaalsContact CG-OG1 3.25Å; R444-T479 WeakPolarHBondContact CG-OG1 3.48Å |
| 445 | D | 82.8 | Confident | 84.4 | Confident | 39 Ų | 39 | 38.4 Ų | 38.4 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | trans | -108.3 | 122.9 | -178.4 | -169.9 | -17.2 | 0 | 0 | 0 | 108.3 | C443 R447 A448 | C443-D445 PolarHBondContact SG-O 3.26Å; D445-R447 VanDerWaalsContact C-N 3.31Å; D445-R447 WeakPolarHBondContact OD1-CB 3.27Å; D445-R447 PolarHBondContact OD1-N 2.95Å; D445-R447 IonicContact OD1-NE 3.28Å; D445-R447 PolarHBondContact OD1-NE 3.35Å; D445-R447 IonicContact OD1-NH2 3.92Å; D445-R447 IonicContact OD2-CZ 3.72Å; D445-R447 IonicContact OD2-NE 3.57Å; D445-R447 IonicContact OD2-NH2 2.99Å; D445-R447 PolarHBondContact OD2-NH2 2.94Å; D445-A448 HydrophobicContact CB-CB 4.36Å; D445-A448 WeakPolarHBondContact O-CB 3.48Å; D445-A448 PolarHBondContact O-N 3.32Å | ||
| 446 | A | 79.5 | Confident | 84.2 | Confident | 13 Ų | 13 | 35 Ų | 35 | 11% | 0.107 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -65.1 | -34.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A448 F449 L478 I500 | A446-A448 PolarHBondContact O-N 2.62Å; A446-F449 VanDerWaalsContact O-CB 3.27Å; A446-F449 WeakPolarHBondContact O-CB 3.49Å; A446-F449 WeakPolarHBondContact O-CD2 3.45Å; A446-F449 PolarHBondContact O-N 3.47Å; A446-L478 HydrophobicContact CB-CD1 4.2Å; A446-L478 HydrophobicContact CB-CD2 4.44Å; A446-I500 HydrophobicContact CB-CG2 3.99Å |
| 447 | R | 78.1 | Confident | 83.7 | Confident | 135 Ų | 135 | 37 Ų | 37 | 51% | 0.509 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -67.6 | -21.3 | -179.8 | -62.4 | 173.4 | -61.9 | 175.2 | 5.3 | 112.9 | S303 D445 F449 E450 | S303-R447 WeakPolarHBondContact OG-CB 3.31Å; D445-R447 VanDerWaalsContact C-N 3.31Å; D445-R447 WeakPolarHBondContact OD1-CB 3.27Å; D445-R447 PolarHBondContact OD1-N 2.95Å; D445-R447 IonicContact OD1-NE 3.28Å; D445-R447 PolarHBondContact OD1-NE 3.35Å; D445-R447 IonicContact OD1-NH2 3.92Å; D445-R447 IonicContact OD2-CZ 3.72Å; D445-R447 IonicContact OD2-NE 3.57Å; D445-R447 IonicContact OD2-NH2 2.99Å; D445-R447 PolarHBondContact OD2-NH2 2.94Å; R447-F449 PolarHBondContact O-N 3.38Å; R447-E450 PolarHBondContact O-N 2.92Å |
| 448 | A | 76.5 | Confident | 83.2 | Confident | 16 Ų | 16 | 39 Ų | 39 | 13% | 0.132 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -67.8 | -18.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W441 D445 A446 W451 | W441-A448 WeakPolarHBondContact CH2-O 3.48Å; D445-A448 HydrophobicContact CB-CB 4.36Å; D445-A448 WeakPolarHBondContact O-CB 3.48Å; D445-A448 PolarHBondContact O-N 3.32Å; A446-A448 PolarHBondContact O-N 2.62Å; A448-W451 PolarHBondContact O-NE1 2.85Å |
| 449 | F | 76.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -75.3 | -27.1 | 178.3 | -61.9 | -52 | 0 | 0 | 0 | 113.3 | W441 C443 A446 R447 W451 F452 A453 I476 L478 I500 T501 | W441-F449 AromaticContact CD2-CD1 3.78Å; W441-F449 HydrophobicContact CD2-CD1 3.78Å; W441-F449 AromaticContact CD2-CE1 3.66Å; W441-F449 HydrophobicContact CD2-CE1 3.66Å; W441-F449 AromaticContact CE2-CD1 3.88Å; W441-F449 AromaticContact CE2-CE1 3.85Å; W441-F449 AromaticContact CE3-CD1 3.49Å; W441-F449 HydrophobicContact CE3-CD1 3.49Å; W441-F449 VanDerWaalsContact CE3-CD1 3.49Å; W441-F449 AromaticContact CE3-CE1 3.79Å; W441-F449 HydrophobicContact CE3-CE1 3.79Å; W441-F449 HydrophobicContact CG-CE1 4.19Å; W441-F449 HydrophobicContact CH2-CB 4.36Å; W441-F449 AromaticContact CH2-CD1 3.53Å; W441-F449 HydrophobicContact CH2-CD1 3.53Å; W441-F449 HydrophobicContact CH2-CE1 4.33Å; W441-F449 HydrophobicContact CH2-CG 4.39Å; W441-F449 AromaticContact CZ2-CD1 3.77Å; W441-F449 HydrophobicContact CZ2-CD1 3.77Å; W441-F449 HydrophobicContact CZ2-CE1 4.17Å; W441-F449 HydrophobicContact CZ3-CB 4.3Å; W441-F449 AromaticContact CZ3-CD1 3.37Å; W441-F449 HydrophobicContact CZ3-CD1 3.37Å; W441-F449 HydrophobicContact CZ3-CE1 4.13Å; W441-F449 HydrophobicContact CZ3-CG 4.31Å; C443-F449 HydrophobicContact CB-CD1 4.28Å; C443-F449 HydrophobicContact CB-CE1 3.41Å; C443-F449 VanDerWaalsContact CB-CE1 3.41Å; C443-F449 HydrophobicContact CB-CE2 4.18Å; C443-F449 HydrophobicContact CB-CZ 3.35Å; A446-F449 VanDerWaalsContact O-CB 3.27Å; A446-F449 WeakPolarHBondContact O-CB 3.49Å; A446-F449 WeakPolarHBondContact O-CD2 3.45Å; A446-F449 PolarHBondContact O-N 3.47Å; R447-F449 PolarHBondContact O-N 3.38Å; F449-W451 PolarHBondContact O-N 3.12Å; F449-F452 PolarHBondContact O-N 3.21Å; F449-A453 WeakPolarHBondContact O-CB 3.24Å; F449-A453 PolarHBondContact O-N 3.48Å; F449-I476 HydrophobicContact CD1-CG2 3.9Å; F449-I476 HydrophobicContact CD2-CG2 4.41Å; F449-I476 HydrophobicContact CE1-CG2 3.4Å; F449-I476 HydrophobicContact CE2-CG2 3.95Å; F449-I476 HydrophobicContact CG-CG2 4.39Å; F449-I476 HydrophobicContact CZ-CG2 3.41Å; F449-I476 VanDerWaalsContact CZ-CG2 3.41Å; F449-L478 HydrophobicContact CE2-CB 4.23Å; F449-L478 HydrophobicContact CE2-CD1 3.76Å; F449-L478 HydrophobicContact CZ-CD1 4.43Å; F449-I500 HydrophobicContact CD2-CG2 4.04Å; F449-T501 HydrophobicContact CB-CG2 3.99Å; F449-T501 HydrophobicContact CD2-CG2 4.45Å; F449-T501 HydrophobicContact CG-CG2 4.31Å |
| 450 | E | 75.5 | Confident | 81.9 | Confident | 95 Ų | 95 | 39.9 Ų | 39.9 | 44% | 0.444 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -53 | -57.6 | -170.5 | -69.3 | 173.3 | -146.9 | 0 | 0 | 112.9 | P302 R447 F452 A453 | P302-E450 HydrophobicContact CG-CB 4.49Å; P302-E450 WeakPolarHBondContact CG-OE2 3.32Å; R447-E450 PolarHBondContact O-N 2.92Å; E450-F452 PolarHBondContact O-N 3.01Å; E450-F452 VanDerWaalsContact O-N 3.14Å; E450-A453 PolarHBondContact O-N 3.11Å |
| 451 | W | 73.5 | Confident | 81.4 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 11% | 0.114 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.5 | -24.8 | -175.2 | 75.3 | -88.1 | 0 | 0 | 0 | 114.4 | H301 H352 V411 T412 A415 A448 F449 | H301-W451 HydrophobicContact CB-CB 4.46Å; H301-W451 WeakPolarHBondContact ND1-CB 3.43Å; H352-W451 AromaticContact CD2-CE3 3.81Å; H352-W451 AromaticContact CD2-CZ3 3.8Å; H352-W451 AromaticContact NE2-CE3 3.48Å; H352-W451 AromaticContact NE2-CZ3 3.51Å; V411-W451 HydrophobicContact CG1-CH2 4.22Å; V411-W451 HydrophobicContact CG1-CZ2 3.64Å; T412-W451 HydrophobicContact CG2-CH2 4.37Å; T412-W451 HydrophobicContact CG2-CZ2 4.38Å; A415-W451 HydrophobicContact CB-CH2 4.25Å; A415-W451 HydrophobicContact CB-CZ3 4.29Å; A448-W451 PolarHBondContact O-NE1 2.85Å; F449-W451 PolarHBondContact O-N 3.12Å |
| 452 | F | 77.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -101.2 | -23 | -176.4 | -169.8 | -85.8 | 0 | 0 | 0 | 112 | V411 A415 L418 F439 W441 F449 E450 D454 L455 L456 | V411-F452 HydrophobicContact CG1-CD2 4.36Å; V411-F452 HydrophobicContact CG2-CD1 4.27Å; V411-F452 HydrophobicContact CG2-CD2 3.97Å; V411-F452 HydrophobicContact CG2-CE1 3.95Å; V411-F452 HydrophobicContact CG2-CE2 3.6Å; V411-F452 HydrophobicContact CG2-CG 4.28Å; V411-F452 HydrophobicContact CG2-CZ 3.59Å; A415-F452 HydrophobicContact CB-CD2 4.21Å; A415-F452 HydrophobicContact CB-CE2 3.72Å; L418-F452 HydrophobicContact CD1-CE1 4.19Å; L418-F452 HydrophobicContact CD1-CZ 3.68Å; F439-F452 AromaticContact CE1-CE1 3.49Å; F439-F452 HydrophobicContact CE1-CE1 3.49Å; F439-F452 VanDerWaalsContact CE1-CE1 3.49Å; F439-F452 AromaticContact CE1-CZ 3.99Å; F439-F452 HydrophobicContact CE1-CZ 3.99Å; F439-F452 HydrophobicContact CE2-CZ 4.23Å; F439-F452 AromaticContact CZ-CE1 3.45Å; F439-F452 HydrophobicContact CZ-CE1 3.45Å; F439-F452 VanDerWaalsContact CZ-CE1 3.45Å; F439-F452 AromaticContact CZ-CZ 3.47Å; F439-F452 HydrophobicContact CZ-CZ 3.47Å; F439-F452 VanDerWaalsContact CZ-CZ 3.47Å; W441-F452 AromaticContact CE3-CD1 3.64Å; W441-F452 HydrophobicContact CE3-CD1 3.64Å; W441-F452 HydrophobicContact CE3-CE1 4.18Å; W441-F452 HydrophobicContact CE3-CG 4.28Å; W441-F452 HydrophobicContact CH2-CB 3.42Å; W441-F452 VanDerWaalsContact CH2-CB 3.42Å; W441-F452 HydrophobicContact CH2-CD1 4.07Å; W441-F452 AromaticContact CH2-CG 3.89Å; W441-F452 HydrophobicContact CH2-CG 3.89Å; W441-F452 HydrophobicContact CZ3-CB 3.42Å; W441-F452 VanDerWaalsContact CZ3-CB 3.42Å; W441-F452 AromaticContact CZ3-CD1 3.3Å; W441-F452 HydrophobicContact CZ3-CD1 3.3Å; W441-F452 HydrophobicContact CZ3-CE1 4.26Å; W441-F452 AromaticContact CZ3-CG 3.59Å; W441-F452 HydrophobicContact CZ3-CG 3.59Å; F449-F452 PolarHBondContact O-N 3.21Å; E450-F452 PolarHBondContact O-N 3.01Å; E450-F452 VanDerWaalsContact O-N 3.14Å; F452-D454 VanDerWaalsContact C-N 3.29Å; F452-D454 PolarHBondContact O-N 3.25Å; F452-L455 HydrophobicContact CD2-CD2 4.23Å; F452-L455 HydrophobicContact CE2-CD2 4.02Å; F452-L455 HydrophobicContact CZ-CD2 4.49Å; F452-L455 WeakPolarHBondContact O-CB 3.4Å; F452-L455 PolarHBondContact O-N 3.16Å; F452-L456 HydrophobicContact CD1-CD1 3.77Å; F452-L456 HydrophobicContact CD1-CD2 4.47Å; F452-L456 HydrophobicContact CD1-CG 3.78Å; F452-L456 HydrophobicContact CE1-CD1 3.77Å; F452-L456 HydrophobicContact CE1-CD2 3.83Å; F452-L456 HydrophobicContact CE1-CG 3.64Å; F452-L456 PolarHBondContact O-N 3.16Å |
| 453 | A | 77.5 | Confident | 80.1 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F449 E450 L455 L456 L457 | F449-A453 WeakPolarHBondContact O-CB 3.24Å; F449-A453 PolarHBondContact O-N 3.48Å; E450-A453 PolarHBondContact O-N 3.11Å; A453-L455 VanDerWaalsContact C-N 3.28Å; A453-L455 PolarHBondContact O-N 3.08Å; A453-L456 PolarHBondContact O-N 3.38Å; A453-L456 VanDerWaalsContact O-N 3.09Å; A453-L457 WeakPolarHBondContact O-CB 3.2Å; A453-L457 PolarHBondContact O-N 3.2Å |
| 454 | D | 77.4 | Confident | 79.7 | Confident | 113 Ų | 113 | 50 Ų | 50 | 60% | 0.604 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -56.8 | -42.4 | 173.8 | -71.6 | -18.8 | 0 | 0 | 0 | 112.3 | F452 S458 | F452-D454 VanDerWaalsContact C-N 3.29Å; F452-D454 PolarHBondContact O-N 3.25Å; D454-S458 WeakPolarHBondContact O-CB 3.47Å; D454-S458 PolarHBondContact O-N 2.71Å; D454-S458 PolarHBondContact O-OG 3.14Å |
| 455 | L | 81.4 | Confident | 79.4 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.5 | -47.5 | 175.4 | 175.6 | 62.5 | 0 | 0 | 0 | 110.8 | A415 K419 F452 A453 L457 S458 L459 | A415-L455 HydrophobicContact CB-CD2 4.02Å; K419-L455 HydrophobicContact CD-CD1 4.33Å; K419-L455 HydrophobicContact CG-CD1 3.56Å; K419-L455 HydrophobicContact CG-CD2 4.26Å; F452-L455 HydrophobicContact CD2-CD2 4.23Å; F452-L455 HydrophobicContact CE2-CD2 4.02Å; F452-L455 HydrophobicContact CZ-CD2 4.49Å; F452-L455 WeakPolarHBondContact O-CB 3.4Å; F452-L455 PolarHBondContact O-N 3.16Å; A453-L455 VanDerWaalsContact C-N 3.28Å; A453-L455 PolarHBondContact O-N 3.08Å; L455-L457 PolarHBondContact O-N 3.36Å; L455-S458 PolarHBondContact O-N 3.2Å; L455-S458 PolarHBondContact O-OG 3.23Å; L455-L459 HydrophobicContact CD1-CD1 4.02Å; L455-L459 HydrophobicContact CD1-CG 4.23Å; L455-L459 HydrophobicContact CG-CD1 3.95Å; L455-L459 WeakPolarHBondContact O-CB 3.23Å; L455-L459 VanDerWaalsContact O-CG 3.24Å; L455-L459 WeakPolarHBondContact O-CG 3.33Å; L455-L459 PolarHBondContact O-N 3.01Å |
| 456 | L | 83.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 178.8 | -71.8 | 176.3 | 0 | 0 | 0 | 112.3 | L418 F439 F452 A453 L459 E460 Y474 I476 L503 | L418-L456 HydrophobicContact CD1-CD2 3.89Å; F439-L456 HydrophobicContact CD1-CD2 4.36Å; F439-L456 HydrophobicContact CE1-CD1 4.37Å; F439-L456 HydrophobicContact CE1-CD2 4.37Å; F452-L456 HydrophobicContact CD1-CD1 3.77Å; F452-L456 HydrophobicContact CD1-CD2 4.47Å; F452-L456 HydrophobicContact CD1-CG 3.78Å; F452-L456 HydrophobicContact CE1-CD1 3.77Å; F452-L456 HydrophobicContact CE1-CD2 3.83Å; F452-L456 HydrophobicContact CE1-CG 3.64Å; F452-L456 PolarHBondContact O-N 3.16Å; A453-L456 PolarHBondContact O-N 3.38Å; A453-L456 VanDerWaalsContact O-N 3.09Å; L456-L459 PolarHBondContact O-N 3.06Å; L456-E460 WeakPolarHBondContact O-CB 3.2Å; L456-E460 PolarHBondContact O-N 3.25Å; L456-Y474 HydrophobicContact CD1-CD2 4.38Å; L456-I476 HydrophobicContact CD1-CD1 3.95Å; L456-L503 HydrophobicContact CB-CD1 3.98Å; L456-L503 HydrophobicContact CB-CD2 4.03Å; L456-L503 HydrophobicContact CD1-CD1 3.91Å |
| 457 | L | 81.6 | Confident | 79.1 | Confident | 71 Ų | 71 | 52.6 Ų | 52.6 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 177.6 | -176.4 | 65.1 | 0 | 0 | 0 | 110.4 | A453 L455 L459 E460 T461 L503 | A453-L457 WeakPolarHBondContact O-CB 3.2Å; A453-L457 PolarHBondContact O-N 3.2Å; L455-L457 PolarHBondContact O-N 3.36Å; L457-L459 VanDerWaalsContact C-N 3.26Å; L457-L459 PolarHBondContact O-N 3.36Å; L457-E460 PolarHBondContact O-N 3.42Å; L457-T461 PolarHBondContact O-N 3.36Å; L457-T461 PolarHBondContact O-OG1 2.67Å; L457-L503 HydrophobicContact CB-CD2 3.68Å; L457-L503 HydrophobicContact CD1-CD2 4.1Å; L457-L503 HydrophobicContact CG-CD2 4.49Å |
| 458 | S | 82 | Confident | 79 | Confident | 41 Ų | 41 | 50 Ų | 50 | 29% | 0.287 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.6 | -36.6 | 177.4 | 76.6 | 0 | 0 | 0 | 0 | 112.3 | D454 L455 R462 | D454-S458 WeakPolarHBondContact O-CB 3.47Å; D454-S458 PolarHBondContact O-N 2.71Å; D454-S458 PolarHBondContact O-OG 3.14Å; L455-S458 PolarHBondContact O-N 3.2Å; L455-S458 PolarHBondContact O-OG 3.23Å; S458-R462 WeakPolarHBondContact O-CB 3.24Å; S458-R462 WeakPolarHBondContact O-CD 3.14Å; S458-R462 WeakPolarHBondContact O-CG 3.32Å; S458-R462 PolarHBondContact O-N 3.31Å |
| 459 | L | 81.3 | Confident | 78.9 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.8 | -44.8 | 176.4 | -73.6 | 167.5 | 0 | 0 | 0 | 111.4 | L418 W422 L455 L456 L457 R462 M463 | L418-L459 HydrophobicContact CB-CD1 3.63Å; L418-L459 HydrophobicContact CD1-CD1 4.32Å; L418-L459 HydrophobicContact CG-CD1 4.49Å; W422-L459 HydrophobicContact CB-CD2 3.4Å; W422-L459 VanDerWaalsContact CB-CD2 3.4Å; W422-L459 HydrophobicContact CG-CD2 3.94Å; L455-L459 HydrophobicContact CD1-CD1 4.02Å; L455-L459 HydrophobicContact CD1-CG 4.23Å; L455-L459 HydrophobicContact CG-CD1 3.95Å; L455-L459 WeakPolarHBondContact O-CB 3.23Å; L455-L459 VanDerWaalsContact O-CG 3.24Å; L455-L459 WeakPolarHBondContact O-CG 3.33Å; L455-L459 PolarHBondContact O-N 3.01Å; L456-L459 PolarHBondContact O-N 3.06Å; L457-L459 VanDerWaalsContact C-N 3.26Å; L457-L459 PolarHBondContact O-N 3.36Å; L459-R462 PolarHBondContact O-N 2.84Å; L459-M463 VanDerWaalsContact O-CB 3.32Å; L459-M463 WeakPolarHBondContact O-CB 3.4Å; L459-M463 WeakPolarHBondContact O-CG 3.35Å; L459-M463 PolarHBondContact O-N 3.35Å |
| 460 | E | 80.1 | Confident | 79.2 | Confident | 44 Ų | 44 | 60 Ų | 60 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.3 | -49.6 | 179.6 | -177.7 | 175.1 | -168.1 | 0 | 0 | 111.5 | L456 L457 R462 M463 S464 Y474 K504 | L456-E460 WeakPolarHBondContact O-CB 3.2Å; L456-E460 PolarHBondContact O-N 3.25Å; L457-E460 PolarHBondContact O-N 3.42Å; E460-R462 PolarHBondContact O-N 2.94Å; E460-M463 PolarHBondContact O-N 2.88Å; E460-S464 WeakPolarHBondContact O-CB 3.35Å; E460-S464 PolarHBondContact O-N 2.83Å; E460-Y474 PolarHBondContact OE2-OH 3.38Å; E460-K504 WeakPolarHBondContact OE1-CB 3.4Å; E460-K504 WeakPolarHBondContact OE1-CD 3.25Å |
| 461 | T | 81.9 | Confident | 79.7 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 44% | 0.442 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 178.6 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | L457 M463 S464 E465 | L457-T461 PolarHBondContact O-N 3.36Å; L457-T461 PolarHBondContact O-OG1 2.67Å; T461-M463 PolarHBondContact O-N 3.42Å; T461-S464 WeakPolarHBondContact O-CB 3.36Å; T461-S464 PolarHBondContact O-N 3.46Å; T461-E465 WeakPolarHBondContact O-CG 3.49Å; T461-E465 PolarHBondContact O-N 2.89Å; T461-E465 VanDerWaalsContact O-N 3.07Å |
| 462 | R | 79.8 | Confident | 80.4 | Confident | 105 Ų | 105 | 56.2 Ų | 56.2 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.4 | -36.1 | -178.2 | -68.4 | 174.8 | -171.9 | -162.9 | 1.6 | 113.3 | S458 L459 E460 S464 E465 Q466 | S458-R462 WeakPolarHBondContact O-CB 3.24Å; S458-R462 WeakPolarHBondContact O-CD 3.14Å; S458-R462 WeakPolarHBondContact O-CG 3.32Å; S458-R462 PolarHBondContact O-N 3.31Å; L459-R462 PolarHBondContact O-N 2.84Å; E460-R462 PolarHBondContact O-N 2.94Å; R462-S464 VanDerWaalsContact C-N 3.33Å; R462-E465 PolarHBondContact O-N 3.22Å; R462-Q466 PolarHBondContact O-N 3.27Å |
| 463 | M | 78.9 | Confident | 80.9 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.8 | -32.9 | 176.1 | -71.7 | -168.8 | 113.6 | 0 | 0 | 112 | L459 E460 T461 Q466 G467 K468 F471 L472 | L459-M463 VanDerWaalsContact O-CB 3.32Å; L459-M463 WeakPolarHBondContact O-CB 3.4Å; L459-M463 WeakPolarHBondContact O-CG 3.35Å; L459-M463 PolarHBondContact O-N 3.35Å; E460-M463 PolarHBondContact O-N 2.88Å; T461-M463 PolarHBondContact O-N 3.42Å; M463-Q466 PolarHBondContact O-N 3.25Å; M463-G467 PolarHBondContact O-N 2.96Å; M463-K468 PolarHBondContact O-N 3.19Å; M463-F471 HydrophobicContact CE-CB 3.83Å; M463-F471 HydrophobicContact CE-CD1 3.27Å; M463-F471 HydrophobicContact CE-CE1 4.02Å; M463-F471 HydrophobicContact CE-CG 3.71Å; M463-F471 HydrophobicContact SD-CD1 4.41Å; M463-L472 HydrophobicContact SD-CB 3.85Å; M463-L472 HydrophobicContact SD-CD2 4.36Å |
| 464 | S | 81.1 | Confident | 81.4 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 40% | 0.399 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 172.7 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | E460 T461 R462 Q466 G467 | E460-S464 WeakPolarHBondContact O-CB 3.35Å; E460-S464 PolarHBondContact O-N 2.83Å; T461-S464 WeakPolarHBondContact O-CB 3.36Å; T461-S464 PolarHBondContact O-N 3.46Å; R462-S464 VanDerWaalsContact C-N 3.33Å; S464-Q466 PolarHBondContact O-N 3.47Å; S464-G467 PolarHBondContact O-N 3.41Å |
| 465 | E | 81.9 | Confident | 82.1 | Confident | 148 Ų | 148 | 54.7 Ų | 54.7 | 69% | 0.692 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -59.4 | -33.1 | 176.2 | -71.4 | 167.7 | 179.2 | 0 | 0 | 112.8 | T461 R462 G467 | T461-E465 WeakPolarHBondContact O-CG 3.49Å; T461-E465 PolarHBondContact O-N 2.89Å; T461-E465 VanDerWaalsContact O-N 3.07Å; R462-E465 PolarHBondContact O-N 3.22Å; E465-G467 VanDerWaalsContact C-N 3.32Å |
| 466 | Q | 76.1 | Confident | 82.5 | Confident | 76 Ų | 76 | 53.8 Ų | 53.8 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 5.6 | 177.6 | -67.3 | -176.9 | -5 | 0 | 0 | 114.1 | S426 R462 M463 S464 K468 | S426-Q466 PolarHBondContact OG-NE2 2.98Å; R462-Q466 PolarHBondContact O-N 3.27Å; M463-Q466 PolarHBondContact O-N 3.25Å; S464-Q466 PolarHBondContact O-N 3.47Å; Q466-K468 HydrophobicContact CB-CG 4.48Å; Q466-K468 PolarHBondContact O-N 3.03Å |
| 467 | G | 78.5 | Confident | 82.9 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 64% | 0.639 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 16.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | M463 S464 E465 | M463-G467 PolarHBondContact O-N 2.96Å; S464-G467 PolarHBondContact O-N 3.41Å; E465-G467 VanDerWaalsContact C-N 3.32Å |
| 468 | K | 76.7 | Confident | 83.2 | Confident | 79 Ų | 79 | 51 Ų | 51 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | trans | -102 | 36.7 | -178.4 | -68 | 179.9 | -177 | 170.4 | 0 | 112.2 | C425 M463 Q466 H470 F471 | C425-K468 PolarHBondContact O-NZ 2.93Å; M463-K468 PolarHBondContact O-N 3.19Å; Q466-K468 HydrophobicContact CB-CG 4.48Å; Q466-K468 PolarHBondContact O-N 3.03Å; K468-H470 PolarHBondContact O-N 3.26Å; K468-H470 VanDerWaalsContact O-N 3.16Å; K468-F471 HydrophobicContact CB-CB 4.23Å; K468-F471 WeakPolarHBondContact O-CB 3.24Å; K468-F471 PolarHBondContact O-N 3.41Å | ||
| 469 | T | 74.9 | Confident | 83.6 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 45% | 0.454 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -33.7 | -177 | 53 | 0 | 0 | 0 | 0 | 113.2 | ||
| 470 | H | 82.3 | Confident | 83.7 | Confident | 153 Ų | 153 | 51.3 Ų | 51.3 | 71% | 0.708 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 2.6 | -179.5 | -61.3 | -64.3 | 0 | 0 | 0 | 114.5 | K436 K468 | K436-H470 WeakPolarHBondContact CD-O 3.44Å; K436-H470 WeakPolarHBondContact CE-O 3.3Å; K436-H470 PolarHBondContact NZ-O 3.49Å; K468-H470 PolarHBondContact O-N 3.26Å; K468-H470 VanDerWaalsContact O-N 3.16Å |
| 471 | F | 85.5 | Confident | 83.7 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 10% | 0.101 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -45.9 | -176.9 | -177 | -82.8 | 0 | 0 | 0 | 112.6 | I421 L434 S435 V437 M463 K468 | I421-F471 HydrophobicContact CG2-CD1 4.31Å; I421-F471 HydrophobicContact CG2-CE1 3.41Å; I421-F471 VanDerWaalsContact CG2-CE1 3.41Å; I421-F471 HydrophobicContact CG2-CZ 3.96Å; L434-F471 HydrophobicContact CD2-CZ 4.08Å; L434-F471 HydrophobicContact CG-CZ 4.08Å; L434-F471 WeakPolarHBondContact O-CE2 3.29Å; S435-F471 VanDerWaalsContact O-CD2 3.28Å; S435-F471 WeakPolarHBondContact O-CD2 3.37Å; V437-F471 HydrophobicContact CG2-CE1 3.78Å; V437-F471 HydrophobicContact CG2-CZ 4.26Å; V437-F471 PolarHBondContact N-O 3.01Å; M463-F471 HydrophobicContact CE-CB 3.83Å; M463-F471 HydrophobicContact CE-CD1 3.27Å; M463-F471 HydrophobicContact CE-CE1 4.02Å; M463-F471 HydrophobicContact CE-CG 3.71Å; M463-F471 HydrophobicContact SD-CD1 4.41Å; K468-F471 HydrophobicContact CB-CB 4.23Å; K468-F471 WeakPolarHBondContact O-CB 3.24Å; K468-F471 PolarHBondContact O-N 3.41Å |
| 472 | L | 88.1 | Confident | 83.5 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 12% | 0.12 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.3 | -178.5 | 179.2 | 63.4 | 0 | 0 | 0 | 109.5 | L418 V437 F439 M463 | L418-L472 HydrophobicContact CD2-CD1 3.78Å; L418-L472 HydrophobicContact CD2-CD2 4.08Å; V437-L472 HydrophobicContact CB-CD1 3.88Å; V437-L472 HydrophobicContact CG1-CD1 3.71Å; F439-L472 HydrophobicContact CB-CD1 4.12Å; M463-L472 HydrophobicContact SD-CB 3.85Å; M463-L472 HydrophobicContact SD-CD2 4.36Å |
| 473 | S | 89.3 | Confident | 83.4 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 26% | 0.259 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 112.6 | 169 | -70.6 | 0 | 0 | 0 | 0 | 108.7 | K436 V437 Y438 F439 | K436-S473 PolarHBondContact NZ-OG 3.17Å; V437-S473 PolarHBondContact O-N 3.13Å; Y438-S473 CarbonylContact C-O 3.52Å; Y438-S473 WeakPolarHBondContact CA-O 3.38Å; F439-S473 PolarHBondContact N-O 3.35Å |
| 474 | Y | 88.4 | Confident | 83.3 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 6% | 0.059 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 142.1 | 178.1 | 59.4 | -92.7 | 0 | 0 | 0 | 110.9 | F439 L456 E460 I476 L503 Q505 | F439-Y474 CarbonylContact O-C 3.53Å; F439-Y474 VanDerWaalsContact O-CA 3.25Å; F439-Y474 WeakPolarHBondContact O-CA 3.28Å; L456-Y474 HydrophobicContact CD1-CD2 4.38Å; E460-Y474 PolarHBondContact OE2-OH 3.38Å; Y474-I476 HydrophobicContact CD2-CD1 4.41Å; Y474-I476 HydrophobicContact CD2-CG1 4.41Å; Y474-L503 HydrophobicContact CD2-CD1 4.3Å; Y474-L503 HydrophobicContact CE2-CB 4.07Å; Y474-L503 HydrophobicContact CE2-CD1 3.65Å; Y474-L503 HydrophobicContact CE2-CG 4.34Å; Y474-Q505 HydrophobicContact CD2-CB 4.16Å; Y474-Q505 HydrophobicContact CE2-CB 3.46Å; Y474-Q505 VanDerWaalsContact CE2-CB 3.46Å; Y474-Q505 HydrophobicContact CE2-CG 4.3Å |
| 475 | H | 90.9 | Very high | 82.9 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 114.4 | 177.7 | -53.6 | 88.5 | 0 | 0 | 0 | 108.3 | F439 Y440 W441 F477 F508 | F439-H475 PolarHBondContact O-N 3.05Å; Y440-H475 WeakPolarHBondContact CA-O 3.44Å; Y440-H475 HydrophobicContact CD1-CB 3.78Å; Y440-H475 HydrophobicContact CE1-CB 3.88Å; Y440-H475 AromaticContact CE1-CG 3.82Å; Y440-H475 AromaticContact CE1-ND1 3.62Å; Y440-H475 AromaticContact CZ-ND1 3.71Å; W441-H475 PolarHBondContact N-O 2.83Å; H475-F477 HydrophobicContact CB-CD2 4.34Å; H475-F477 HydrophobicContact CB-CE2 3.67Å; H475-F508 HydrophobicContact CB-CD2 4.29Å; H475-F508 HydrophobicContact CB-CE2 4.05Å; H475-F508 AromaticContact CD2-CE2 3.72Å |
| 476 | I | 90 | Very high | 82.7 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.9 | -177.7 | -58.2 | 178.6 | 0 | 0 | 0 | 108.1 | W441 F449 L456 Y474 T501 L503 T507 F508 | W441-I476 CarbonylContact O-C 3.57Å; W441-I476 WeakPolarHBondContact O-CA 3.41Å; F449-I476 HydrophobicContact CD1-CG2 3.9Å; F449-I476 HydrophobicContact CD2-CG2 4.41Å; F449-I476 HydrophobicContact CE1-CG2 3.4Å; F449-I476 HydrophobicContact CE2-CG2 3.95Å; F449-I476 HydrophobicContact CG-CG2 4.39Å; F449-I476 HydrophobicContact CZ-CG2 3.41Å; F449-I476 VanDerWaalsContact CZ-CG2 3.41Å; L456-I476 HydrophobicContact CD1-CD1 3.95Å; Y474-I476 HydrophobicContact CD2-CD1 4.41Å; Y474-I476 HydrophobicContact CD2-CG1 4.41Å; I476-T501 HydrophobicContact CD1-CG2 3.97Å; I476-L503 HydrophobicContact CD1-CD1 3.59Å; I476-T507 HydrophobicContact CG2-CG2 4.16Å; I476-F508 PolarHBondContact O-N 2.69Å |
| 477 | F | 90.8 | Very high | 82.5 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 6% | 0.057 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 114.4 | -178.6 | -73.7 | -96.1 | 0 | 0 | 0 | 110.3 | Y440 W441 I442 C443 H475 F508 P512 | Y440-F477 HydrophobicContact CD1-CD2 4.5Å; Y440-F477 AromaticContact CD1-CE2 3.81Å; Y440-F477 HydrophobicContact CD1-CE2 3.81Å; Y440-F477 HydrophobicContact CE1-CE2 4.26Å; W441-F477 PolarHBondContact O-N 3.44Å; I442-F477 WeakPolarHBondContact CA-O 3.36Å; I442-F477 HydrophobicContact CB-CB 4.43Å; I442-F477 HydrophobicContact CG1-CB 4Å; I442-F477 HydrophobicContact CG1-CD2 4.49Å; I442-F477 HydrophobicContact CG1-CG 4.49Å; I442-F477 HydrophobicContact CG2-CB 4.42Å; C443-F477 PolarHBondContact N-O 3.45Å; H475-F477 HydrophobicContact CB-CD2 4.34Å; H475-F477 HydrophobicContact CB-CE2 3.67Å; F477-F508 CarbonylContact C-O 3.57Å; F477-F508 VanDerWaalsContact CA-O 3.29Å; F477-F508 WeakPolarHBondContact CA-O 3.33Å; F477-F508 HydrophobicContact CD1-CB 3.52Å; F477-F508 HydrophobicContact CD1-CG 4.42Å; F477-F508 HydrophobicContact CE1-CB 3.47Å; F477-F508 VanDerWaalsContact CE1-CB 3.47Å; F477-F508 HydrophobicContact CE1-CD2 4.38Å; F477-F508 AromaticContact CE1-CG 3.97Å; F477-F508 HydrophobicContact CE1-CG 3.97Å; F477-F508 HydrophobicContact CE2-CD2 4.15Å; F477-F508 HydrophobicContact CG-CB 4.09Å; F477-F508 HydrophobicContact CZ-CB 4.01Å; F477-F508 HydrophobicContact CZ-CD2 4.04Å; F477-F508 HydrophobicContact CZ-CG 4.04Å; F477-P512 HydrophobicContact CB-CG 4.36Å; F477-P512 HydrophobicContact CD1-CB 4.25Å; F477-P512 HydrophobicContact CD1-CG 3.67Å; F477-P512 HydrophobicContact CD2-CG 3.74Å; F477-P512 HydrophobicContact CE1-CB 3.85Å; F477-P512 HydrophobicContact CE1-CG 3.78Å; F477-P512 HydrophobicContact CE2-CB 4.15Å; F477-P512 HydrophobicContact CE2-CG 3.85Å; F477-P512 HydrophobicContact CG-CG 3.64Å; F477-P512 HydrophobicContact CZ-CB 3.79Å; F477-P512 HydrophobicContact CZ-CG 3.86Å |
| 478 | L | 89.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 121.7 | 169.8 | -174.4 | 68.7 | 0 | 0 | 0 | 109.4 | A446 F449 G480 W481 I500 T507 F508 Y509 G510 | A446-L478 HydrophobicContact CB-CD1 4.2Å; A446-L478 HydrophobicContact CB-CD2 4.44Å; F449-L478 HydrophobicContact CE2-CB 4.23Å; F449-L478 HydrophobicContact CE2-CD1 3.76Å; F449-L478 HydrophobicContact CZ-CD1 4.43Å; L478-G480 VanDerWaalsContact CD1-O 3.29Å; L478-G480 WeakPolarHBondContact CD1-O 3.34Å; L478-G480 WeakPolarHBondContact CD2-O 3.5Å; L478-G480 VanDerWaalsContact CG-O 3.22Å; L478-G480 WeakPolarHBondContact CG-O 3.22Å; L478-W481 HydrophobicContact CD2-CB 4.21Å; L478-W481 WeakPolarHBondContact O-CZ3 3.3Å; L478-I500 HydrophobicContact CD2-CD1 3.86Å; L478-T507 HydrophobicContact CB-CG2 3.89Å; L478-F508 PolarHBondContact N-O 3.05Å; L478-Y509 HydrophobicContact CB-CD1 4.33Å; L478-Y509 HydrophobicContact CB-CE1 4.38Å; L478-Y509 HydrophobicContact CD2-CD1 4.39Å; L478-Y509 HydrophobicContact CD2-CE1 4.04Å; L478-G510 PolarHBondContact O-N 3.39Å |
| 479 | T | 89 | Confident | 82.3 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 20% | 0.202 | 31% | 0.305 | C | S | . | . | trans | -109.8 | -2.1 | -174.8 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | I442 C443 R444 G510 R511 | I442-T479 HydrophobicContact CG2-CG2 3.63Å; C443-T479 PolarHBondContact O-N 3.34Å; C443-T479 PolarHBondContact O-OG1 3.45Å; R444-T479 VanDerWaalsContact CG-OG1 3.25Å; R444-T479 WeakPolarHBondContact CG-OG1 3.48Å; T479-G510 WeakPolarHBondContact CG2-O 3.29Å; T479-R511 HydrophobicContact CG2-CG 4.19Å | ||
| 480 | G | 83.4 | Confident | 82.2 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 19% | 0.186 | 31% | 0.31 | C | S | . | . | trans | -142.6 | 134.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L478 | L478-G480 VanDerWaalsContact CD1-O 3.29Å; L478-G480 WeakPolarHBondContact CD1-O 3.34Å; L478-G480 WeakPolarHBondContact CD2-O 3.5Å; L478-G480 VanDerWaalsContact CG-O 3.22Å; L478-G480 WeakPolarHBondContact CG-O 3.22Å | ||
| 481 | W | 80.2 | Confident | 81.7 | Confident | 127 Ų | 127 | 58.1 Ų | 58.1 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | trans | -150.6 | 151.7 | 177.6 | 54.9 | 85 | 0 | 0 | 0 | 108.5 | L478 Y509 | L478-W481 HydrophobicContact CD2-CB 4.21Å; L478-W481 WeakPolarHBondContact O-CZ3 3.3Å; W481-Y509 HydrophobicContact CE3-CD1 4.26Å; W481-Y509 HydrophobicContact CZ3-CD1 4.5Å | ||
| 482 | D | 79.2 | Confident | 81.1 | Confident | 83 Ų | 83 | 60 Ų | 60 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | trans | -94.9 | 171.8 | 170 | 62.9 | 33 | 0 | 0 | 0 | 111 | N484 Q485 A486 | D482-N484 VanDerWaalsContact C-N 3.3Å; D482-N484 PolarHBondContact O-N 3.41Å; D482-N484 PolarHBondContact OD1-N 3.06Å; D482-Q485 PolarHBondContact O-N 3.17Å; D482-Q485 WeakPolarHBondContact OD1-CB 3.26Å; D482-Q485 VanDerWaalsContact OD1-CG 3.25Å; D482-Q485 WeakPolarHBondContact OD1-CG 3.16Å; D482-Q485 PolarHBondContact OD1-N 3.43Å; D482-A486 WeakPolarHBondContact O-CB 3.38Å; D482-A486 PolarHBondContact O-N 3.47Å | ||
| 483 | E | 76.7 | Confident | 80.2 | Confident | 175 Ų | 175 | 65 Ų | 65 | 82% | 0.818 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.9 | -36.2 | -178.4 | -70.6 | -177.5 | 170.9 | 0 | 0 | 112.4 | A486 L487 | E483-A486 PolarHBondContact O-N 3.22Å; E483-L487 WeakPolarHBondContact O-CB 3.15Å; E483-L487 PolarHBondContact O-N 3.4Å |
| 484 | N | 76.7 | Confident | 79.6 | Confident | 128 Ų | 128 | 70.4 Ų | 70.4 | 68% | 0.684 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.8 | -42.6 | -179.7 | -70.4 | -26.1 | 0 | 0 | 0 | 111.8 | D482 L487 H488 | D482-N484 VanDerWaalsContact C-N 3.3Å; D482-N484 PolarHBondContact O-N 3.41Å; D482-N484 PolarHBondContact OD1-N 3.06Å; N484-L487 PolarHBondContact O-N 3.25Å; N484-H488 WeakPolarHBondContact O-CB 3.38Å; N484-H488 PolarHBondContact O-N 2.75Å |
| 485 | Q | 74.1 | Confident | 79.1 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 172.9 | -78.6 | 177.9 | -3.9 | 0 | 0 | 110.3 | D482 L487 H488 I489 | D482-Q485 PolarHBondContact O-N 3.17Å; D482-Q485 WeakPolarHBondContact OD1-CB 3.26Å; D482-Q485 VanDerWaalsContact OD1-CG 3.25Å; D482-Q485 WeakPolarHBondContact OD1-CG 3.16Å; D482-Q485 PolarHBondContact OD1-N 3.43Å; Q485-L487 VanDerWaalsContact C-N 3.28Å; Q485-L487 PolarHBondContact O-N 2.92Å; Q485-H488 PolarHBondContact O-N 3.04Å; Q485-I489 HydrophobicContact CB-CD1 4.46Å; Q485-I489 WeakPolarHBondContact O-CB 3.36Å; Q485-I489 WeakPolarHBondContact O-CD1 3.12Å; Q485-I489 WeakPolarHBondContact O-CG1 3.02Å; Q485-I489 PolarHBondContact O-N 3.04Å |
| 486 | A | 75.9 | Confident | 78.4 | Confident | 36 Ų | 36 | 79.4 Ų | 79.4 | 30% | 0.298 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.6 | -41 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | D482 E483 I489 A490 | D482-A486 WeakPolarHBondContact O-CB 3.38Å; D482-A486 PolarHBondContact O-N 3.47Å; E483-A486 PolarHBondContact O-N 3.22Å; A486-I489 PolarHBondContact O-N 3.44Å; A486-A490 WeakPolarHBondContact O-CB 3.28Å; A486-A490 PolarHBondContact O-N 3.12Å |
| 487 | L | 72.4 | Confident | 77.9 | Confident | 105 Ų | 105 | 82.4 Ų | 82.4 | 55% | 0.55 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.9 | -47 | 175.9 | -175.5 | 64.8 | 0 | 0 | 0 | 111.8 | E483 N484 Q485 I489 A490 L491 | E483-L487 WeakPolarHBondContact O-CB 3.15Å; E483-L487 PolarHBondContact O-N 3.4Å; N484-L487 PolarHBondContact O-N 3.25Å; Q485-L487 VanDerWaalsContact C-N 3.28Å; Q485-L487 PolarHBondContact O-N 2.92Å; L487-I489 VanDerWaalsContact C-N 3.31Å; L487-I489 PolarHBondContact O-N 3.17Å; L487-A490 PolarHBondContact O-N 2.71Å; L487-L491 HydrophobicContact CD1-CD1 4.39Å; L487-L491 HydrophobicContact CD1-CG 4.47Å; L487-L491 HydrophobicContact CG-CD1 4.04Å; L487-L491 VanDerWaalsContact O-CG 3.29Å; L487-L491 WeakPolarHBondContact O-CG 3.48Å; L487-L491 PolarHBondContact O-N 3.34Å |
| 488 | H | 75.1 | Confident | 77.3 | Confident | 98 Ų | 98 | 82.2 Ų | 82.2 | 45% | 0.454 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 177 | -172.9 | -99.8 | 0 | 0 | 0 | 111.9 | N484 Q485 L491 H492 V499 | N484-H488 WeakPolarHBondContact O-CB 3.38Å; N484-H488 PolarHBondContact O-N 2.75Å; Q485-H488 PolarHBondContact O-N 3.04Å; H488-L491 PolarHBondContact O-N 3.24Å; H488-H492 AromaticContact CD2-CD2 3.95Å; H488-H492 AromaticContact NE2-CD2 3.85Å; H488-H492 AromaticContact NE2-NE2 3.99Å; H488-H492 PolarHBondContact O-CD2 3.48Å; H488-H492 VanDerWaalsContact O-CD2 3.31Å; H488-H492 PolarHBondContact O-N 3.45Å; H488-V499 WeakPolarHBondContact CE1-CG1 3.17Å; H488-V499 VanDerWaalsContact ND1-CG1 3.29Å; H488-V499 WeakPolarHBondContact ND1-CG1 3.43Å |
| 489 | I | 76.9 | Confident | 76.7 | Confident | 14 Ų | 14 | 84.2 Ų | 84.2 | 7% | 0.072 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.5 | -68.8 | 156.3 | 0 | 0 | 0 | 111.3 | Q485 A486 L487 H492 W493 I500 Y509 | Q485-I489 HydrophobicContact CB-CD1 4.46Å; Q485-I489 WeakPolarHBondContact O-CB 3.36Å; Q485-I489 WeakPolarHBondContact O-CD1 3.12Å; Q485-I489 WeakPolarHBondContact O-CG1 3.02Å; Q485-I489 PolarHBondContact O-N 3.04Å; A486-I489 PolarHBondContact O-N 3.44Å; L487-I489 VanDerWaalsContact C-N 3.31Å; L487-I489 PolarHBondContact O-N 3.17Å; I489-H492 PolarHBondContact O-N 2.93Å; I489-W493 HydrophobicContact CG2-CE3 4.15Å; I489-W493 HydrophobicContact CG2-CZ3 4.37Å; I489-W493 PolarHBondContact O-N 2.91Å; I489-I500 HydrophobicContact CD1-CD1 3.99Å; I489-I500 HydrophobicContact CG1-CD1 4.23Å; I489-I500 HydrophobicContact CG1-CG1 4.41Å; I489-Y509 HydrophobicContact CD1-CD1 4.45Å; I489-Y509 HydrophobicContact CD1-CE1 3.46Å; I489-Y509 VanDerWaalsContact CD1-CE1 3.46Å; I489-Y509 HydrophobicContact CG1-CE1 4.31Å; I489-Y509 WeakPolarHBondContact CG1-OH 3.34Å; I489-Y509 HydrophobicContact CG2-CE1 4.21Å; I489-Y509 HydrophobicContact CG2-CE2 3.85Å; I489-Y509 VanDerWaalsContact CG2-CZ 3.49Å; I489-Y509 WeakPolarHBondContact CG2-OH 3.12Å |
| 490 | A | 72.2 | Confident | 76 | Confident | 67 Ų | 67 | 84.7 Ų | 84.7 | 55% | 0.554 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.3 | -38.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | A486 L487 H492 | A486-A490 WeakPolarHBondContact O-CB 3.28Å; A486-A490 PolarHBondContact O-N 3.12Å; L487-A490 PolarHBondContact O-N 2.71Å; A490-H492 VanDerWaalsContact C-N 3.33Å; A490-H492 PolarHBondContact O-N 3.46Å |
| 491 | L | 71.8 | Confident | 75.6 | Confident | 125 Ų | 125 | 84.5 Ų | 84.5 | 65% | 0.654 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.2 | -32.7 | 179.4 | -72.7 | 170 | 0 | 0 | 0 | 113 | L487 H488 | L487-L491 HydrophobicContact CD1-CD1 4.39Å; L487-L491 HydrophobicContact CD1-CG 4.47Å; L487-L491 HydrophobicContact CG-CD1 4.04Å; L487-L491 VanDerWaalsContact O-CG 3.29Å; L487-L491 WeakPolarHBondContact O-CG 3.48Å; L487-L491 PolarHBondContact O-N 3.34Å; H488-L491 PolarHBondContact O-N 3.24Å |
| 492 | H | 72.4 | Confident | 75.5 | Confident | 64 Ų | 64 | 80.4 Ų | 80.4 | 30% | 0.296 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 20.2 | -177.2 | -66.1 | -80.7 | 0 | 0 | 0 | 112.9 | H488 I489 A490 D494 E495 V499 | H488-H492 AromaticContact CD2-CD2 3.95Å; H488-H492 AromaticContact NE2-CD2 3.85Å; H488-H492 AromaticContact NE2-NE2 3.99Å; H488-H492 PolarHBondContact O-CD2 3.48Å; H488-H492 VanDerWaalsContact O-CD2 3.31Å; H488-H492 PolarHBondContact O-N 3.45Å; I489-H492 PolarHBondContact O-N 2.93Å; A490-H492 VanDerWaalsContact C-N 3.33Å; A490-H492 PolarHBondContact O-N 3.46Å; H492-D494 VanDerWaalsContact C-N 3.33Å; H492-D494 PolarHBondContact O-N 2.95Å; H492-E495 HydrophobicContact CB-CG 4.49Å; H492-E495 IonicContact CE1-OE1 3.74Å; H492-E495 IonicContact CG-OE1 3.67Å; H492-E495 IonicContact ND1-OE1 2.76Å; H492-E495 PolarHBondContact ND1-OE1 2.83Å; H492-E495 PolarHBondContact O-N 2.7Å; H492-V499 HydrophobicContact CB-CB 4.38Å; H492-V499 HydrophobicContact CB-CG1 3.99Å; H492-V499 HydrophobicContact CB-CG2 3.4Å; H492-V499 VanDerWaalsContact CB-CG2 3.4Å; H492-V499 WeakPolarHBondContact O-CG2 3.4Å |
| 493 | W | 70.6 | Confident | 75.6 | Confident | 128 Ų | 128 | 76.4 Ų | 76.4 | 49% | 0.485 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -33.2 | -174.6 | -176 | -93.6 | 0 | 0 | 0 | 113.7 | I489 E495 K506 Y509 | I489-W493 HydrophobicContact CG2-CE3 4.15Å; I489-W493 HydrophobicContact CG2-CZ3 4.37Å; I489-W493 PolarHBondContact O-N 2.91Å; W493-E495 VanDerWaalsContact C-N 3.26Å; W493-E495 PolarHBondContact O-N 2.76Å; W493-K506 PolarHBondContact O-NZ 2.65Å; W493-Y509 HydrophobicContact CH2-CD2 4.5Å; W493-Y509 HydrophobicContact CH2-CE2 4.35Å; W493-Y509 HydrophobicContact CZ3-CD2 4.07Å; W493-Y509 AromaticContact CZ3-CE2 3.64Å; W493-Y509 HydrophobicContact CZ3-CE2 3.64Å |
| 494 | D | 75.7 | Confident | 75.6 | Confident | 150 Ų | 150 | 74.7 Ų | 74.7 | 80% | 0.802 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -2.9 | -175.1 | -69 | -30.2 | 0 | 0 | 0 | 113.7 | H492 | H492-D494 VanDerWaalsContact C-N 3.33Å; H492-D494 PolarHBondContact O-N 2.95Å |
| 495 | E | 78.6 | Confident | 75.8 | Confident | 87 Ų | 87 | 72.7 Ų | 72.7 | 41% | 0.407 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -67.6 | 152.2 | 176.6 | -64.4 | -175.2 | -175.8 | 0 | 0 | 111.9 | H492 W493 T497 K506 | H492-E495 HydrophobicContact CB-CG 4.49Å; H492-E495 IonicContact CE1-OE1 3.74Å; H492-E495 IonicContact CG-OE1 3.67Å; H492-E495 IonicContact ND1-OE1 2.76Å; H492-E495 PolarHBondContact ND1-OE1 2.83Å; H492-E495 PolarHBondContact O-N 2.7Å; W493-E495 VanDerWaalsContact C-N 3.26Å; W493-E495 PolarHBondContact O-N 2.76Å; E495-T497 VanDerWaalsContact C-N 3.26Å; E495-T497 PolarHBondContact O-N 2.99Å; E495-K506 WeakPolarHBondContact O-CE 3.37Å; E495-K506 PolarHBondContact O-NZ 3.33Å |
| 496 | N | 76 | Confident | 76.3 | Confident | 151 Ų | 151 | 72.8 Ų | 72.8 | 81% | 0.807 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -77.6 | -12.1 | -179.3 | -75.9 | -30.4 | 0 | 0 | 0 | 113.3 | ||
| 497 | T | 78.6 | Confident | 76.7 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 41% | 0.405 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -117.7 | 149.7 | 178.4 | 45.3 | 0 | 0 | 0 | 0 | 109.8 | E495 | E495-T497 VanDerWaalsContact C-N 3.26Å; E495-T497 PolarHBondContact O-N 2.99Å |
| 498 | D | 79.4 | Confident | 77.4 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 5% | 0.048 | 36% | 0.363 | C | S | . | . | trans | -68.8 | 130.4 | 176.7 | -174.4 | 68.1 | 0 | 0 | 0 | 111.2 | I500 T501 G502 L503 T507 | D498-I500 VanDerWaalsContact C-N 3.25Å; D498-I500 PolarHBondContact O-N 2.75Å; D498-I500 PolarHBondContact OD2-N 3.46Å; D498-T501 WeakPolarHBondContact CB-OG1 3.44Å; D498-T501 WeakPolarHBondContact OD2-CB 3.5Å; D498-T501 PolarHBondContact OD2-N 3.48Å; D498-T501 PolarHBondContact OD2-OG1 3.11Å; D498-G502 WeakPolarHBondContact O-CA 3.38Å; D498-G502 PolarHBondContact O-N 3.39Å; D498-L503 WeakPolarHBondContact CB-O 3.41Å; D498-L503 PolarHBondContact N-O 2.73Å; D498-T507 VanDerWaalsContact CG-OG1 3.3Å; D498-T507 WeakPolarHBondContact OD1-CB 3.2Å; D498-T507 PolarHBondContact OD1-N 3.14Å; D498-T507 PolarHBondContact OD1-OG1 3.14Å; D498-T507 PolarHBondContact OD2-OG1 3.03Å | ||
| 499 | V | 75.3 | Confident | 78 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -27.1 | -174.9 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | H488 H492 | H488-V499 WeakPolarHBondContact CE1-CG1 3.17Å; H488-V499 VanDerWaalsContact ND1-CG1 3.29Å; H488-V499 WeakPolarHBondContact ND1-CG1 3.43Å; H492-V499 HydrophobicContact CB-CB 4.38Å; H492-V499 HydrophobicContact CB-CG1 3.99Å; H492-V499 HydrophobicContact CB-CG2 3.4Å; H492-V499 VanDerWaalsContact CB-CG2 3.4Å; H492-V499 WeakPolarHBondContact O-CG2 3.4Å |
| 500 | I | 75.3 | Confident | 78.6 | Confident | 44 Ų | 44 | 69 Ų | 69 | 23% | 0.226 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -45.1 | -175.9 | -59.1 | 178.4 | 0 | 0 | 0 | 110.7 | A446 F449 L478 I489 D498 T507 Y509 | A446-I500 HydrophobicContact CB-CG2 3.99Å; F449-I500 HydrophobicContact CD2-CG2 4.04Å; L478-I500 HydrophobicContact CD2-CD1 3.86Å; I489-I500 HydrophobicContact CD1-CD1 3.99Å; I489-I500 HydrophobicContact CG1-CD1 4.23Å; I489-I500 HydrophobicContact CG1-CG1 4.41Å; D498-I500 VanDerWaalsContact C-N 3.25Å; D498-I500 PolarHBondContact O-N 2.75Å; D498-I500 PolarHBondContact OD2-N 3.46Å; I500-T507 HydrophobicContact CD1-CG2 4.42Å; I500-Y509 HydrophobicContact CD1-CE1 4.08Å; I500-Y509 WeakPolarHBondContact CD1-OH 3.28Å |
| 501 | T | 75.6 | Confident | 79.4 | Confident | 14 Ų | 14 | 76 Ų | 76 | 9% | 0.086 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -13.2 | -169.3 | 61.7 | 0 | 0 | 0 | 0 | 113.9 | F449 I476 D498 L503 | F449-T501 HydrophobicContact CB-CG2 3.99Å; F449-T501 HydrophobicContact CD2-CG2 4.45Å; F449-T501 HydrophobicContact CG-CG2 4.31Å; I476-T501 HydrophobicContact CD1-CG2 3.97Å; D498-T501 WeakPolarHBondContact CB-OG1 3.44Å; D498-T501 WeakPolarHBondContact OD2-CB 3.5Å; D498-T501 PolarHBondContact OD2-N 3.48Å; D498-T501 PolarHBondContact OD2-OG1 3.11Å; T501-L503 PolarHBondContact O-N 2.8Å |
| 502 | G | 77 | Confident | 80.4 | Confident | 40 Ų | 40 | 70.5 Ų | 70.5 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | trans | 69.4 | 5.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D498 | D498-G502 WeakPolarHBondContact O-CA 3.38Å; D498-G502 PolarHBondContact O-N 3.39Å | ||
| 503 | L | 80.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -82.6 | 159.7 | -177.2 | -65.6 | 172.8 | 0 | 0 | 0 | 111.8 | L456 L457 Y474 I476 D498 T501 | L456-L503 HydrophobicContact CB-CD1 3.98Å; L456-L503 HydrophobicContact CB-CD2 4.03Å; L456-L503 HydrophobicContact CD1-CD1 3.91Å; L457-L503 HydrophobicContact CB-CD2 3.68Å; L457-L503 HydrophobicContact CD1-CD2 4.1Å; L457-L503 HydrophobicContact CG-CD2 4.49Å; Y474-L503 HydrophobicContact CD2-CD1 4.3Å; Y474-L503 HydrophobicContact CE2-CB 4.07Å; Y474-L503 HydrophobicContact CE2-CD1 3.65Å; Y474-L503 HydrophobicContact CE2-CG 4.34Å; I476-L503 HydrophobicContact CD1-CD1 3.59Å; D498-L503 WeakPolarHBondContact CB-O 3.41Å; D498-L503 PolarHBondContact N-O 2.73Å; T501-L503 PolarHBondContact O-N 2.8Å | ||
| 504 | K | 77.9 | Confident | 82.6 | Confident | 139 Ų | 139 | 66.5 Ų | 66.5 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -68.7 | -37.2 | 175.6 | -66.9 | -171.2 | -173.8 | 170.5 | 0 | 112.3 | E460 | E460-K504 WeakPolarHBondContact OE1-CB 3.4Å; E460-K504 WeakPolarHBondContact OE1-CD 3.25Å |
| 505 | Q | 80.9 | Confident | 83.5 | Confident | 85 Ų | 85 | 62.4 Ų | 62.4 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -79.3 | 123 | 176.1 | -172.6 | 73.2 | 30.3 | 0 | 0 | 109.7 | Y474 | Y474-Q505 HydrophobicContact CD2-CB 4.16Å; Y474-Q505 HydrophobicContact CE2-CB 3.46Å; Y474-Q505 VanDerWaalsContact CE2-CB 3.46Å; Y474-Q505 HydrophobicContact CE2-CG 4.3Å |
| 506 | K | 83.6 | Confident | 84.3 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 145.6 | 178.5 | -64.3 | -173.3 | 177.5 | -177.7 | 0 | 112.5 | W493 E495 | W493-K506 PolarHBondContact O-NZ 2.65Å; E495-K506 WeakPolarHBondContact O-CE 3.37Å; E495-K506 PolarHBondContact O-NZ 3.33Å |
| 507 | T | 85.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -69 | 133.2 | 172.9 | -64.3 | 0 | 0 | 0 | 0 | 110 | I476 L478 D498 I500 Y509 | I476-T507 HydrophobicContact CG2-CG2 4.16Å; L478-T507 HydrophobicContact CB-CG2 3.89Å; D498-T507 VanDerWaalsContact CG-OG1 3.3Å; D498-T507 WeakPolarHBondContact OD1-CB 3.2Å; D498-T507 PolarHBondContact OD1-N 3.14Å; D498-T507 PolarHBondContact OD1-OG1 3.14Å; D498-T507 PolarHBondContact OD2-OG1 3.03Å; I500-T507 HydrophobicContact CD1-CG2 4.42Å; T507-Y509 HydrophobicContact CG2-CE1 4.46Å; T507-Y509 WeakPolarHBondContact O-CE2 3.46Å |
| 508 | F | 87.3 | Confident | 86 | Confident | 82 Ų | 82 | 53.1 Ų | 53.1 | 36% | 0.36 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 140.2 | 174.1 | -62.2 | -84 | 0 | 0 | 0 | 110.5 | H475 I476 F477 L478 | H475-F508 HydrophobicContact CB-CD2 4.29Å; H475-F508 HydrophobicContact CB-CE2 4.05Å; H475-F508 AromaticContact CD2-CE2 3.72Å; I476-F508 PolarHBondContact O-N 2.69Å; F477-F508 CarbonylContact C-O 3.57Å; F477-F508 VanDerWaalsContact CA-O 3.29Å; F477-F508 WeakPolarHBondContact CA-O 3.33Å; F477-F508 HydrophobicContact CD1-CB 3.52Å; F477-F508 HydrophobicContact CD1-CG 4.42Å; F477-F508 HydrophobicContact CE1-CB 3.47Å; F477-F508 VanDerWaalsContact CE1-CB 3.47Å; F477-F508 HydrophobicContact CE1-CD2 4.38Å; F477-F508 AromaticContact CE1-CG 3.97Å; F477-F508 HydrophobicContact CE1-CG 3.97Å; F477-F508 HydrophobicContact CE2-CD2 4.15Å; F477-F508 HydrophobicContact CG-CB 4.09Å; F477-F508 HydrophobicContact CZ-CB 4.01Å; F477-F508 HydrophobicContact CZ-CD2 4.04Å; F477-F508 HydrophobicContact CZ-CG 4.04Å; L478-F508 PolarHBondContact N-O 3.05Å |
| 509 | Y | 87.7 | Confident | 86.7 | Confident | 70 Ų | 70 | 59 Ų | 59 | 28% | 0.275 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130 | -179.2 | -60.8 | -80.7 | 0 | 0 | 0 | 110.9 | L478 W481 I489 W493 I500 T507 | L478-Y509 HydrophobicContact CB-CD1 4.33Å; L478-Y509 HydrophobicContact CB-CE1 4.38Å; L478-Y509 HydrophobicContact CD2-CD1 4.39Å; L478-Y509 HydrophobicContact CD2-CE1 4.04Å; W481-Y509 HydrophobicContact CE3-CD1 4.26Å; W481-Y509 HydrophobicContact CZ3-CD1 4.5Å; I489-Y509 HydrophobicContact CD1-CD1 4.45Å; I489-Y509 HydrophobicContact CD1-CE1 3.46Å; I489-Y509 VanDerWaalsContact CD1-CE1 3.46Å; I489-Y509 HydrophobicContact CG1-CE1 4.31Å; I489-Y509 WeakPolarHBondContact CG1-OH 3.34Å; I489-Y509 HydrophobicContact CG2-CE1 4.21Å; I489-Y509 HydrophobicContact CG2-CE2 3.85Å; I489-Y509 VanDerWaalsContact CG2-CZ 3.49Å; I489-Y509 WeakPolarHBondContact CG2-OH 3.12Å; W493-Y509 HydrophobicContact CH2-CD2 4.5Å; W493-Y509 HydrophobicContact CH2-CE2 4.35Å; W493-Y509 HydrophobicContact CZ3-CD2 4.07Å; W493-Y509 AromaticContact CZ3-CE2 3.64Å; W493-Y509 HydrophobicContact CZ3-CE2 3.64Å; I500-Y509 HydrophobicContact CD1-CE1 4.08Å; I500-Y509 WeakPolarHBondContact CD1-OH 3.28Å; T507-Y509 HydrophobicContact CG2-CE1 4.46Å; T507-Y509 WeakPolarHBondContact O-CE2 3.46Å |
| 510 | G | 88.3 | Confident | 87.6 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 19% | 0.186 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 95.6 | -161.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L478 T479 | L478-G510 PolarHBondContact O-N 3.39Å; T479-G510 WeakPolarHBondContact CG2-O 3.29Å |
| 511 | R | 89.9 | Confident | 88.5 | Confident | 214 Ų | 214 | 60.8 Ų | 60.8 | 81% | 0.808 | 29% | 0.29 | S | S | * | . | trans | -93.1 | 140 | -174.7 | -64.5 | -178.8 | -175.1 | -124.8 | 3 | 110.6 | T479 N513 | T479-R511 HydrophobicContact CG2-CG 4.19Å; R511-N513 PolarHBondContact O-N 3.13Å | ||
| 512 | P | 92.9 | Very high | 89.3 | Confident | 11 Ų | 11 | 61 Ų | 61 | 7% | 0.071 | 29% | 0.293 | C | S | . | . | trans | -57.5 | 136.1 | 173.8 | -17.7 | 24.8 | 0 | 0 | 0 | 111.6 | I442 F477 W514 | I442-P512 HydrophobicContact CD1-CG 3.87Å; I442-P512 HydrophobicContact CG1-CG 3.91Å; F477-P512 HydrophobicContact CB-CG 4.36Å; F477-P512 HydrophobicContact CD1-CB 4.25Å; F477-P512 HydrophobicContact CD1-CG 3.67Å; F477-P512 HydrophobicContact CD2-CG 3.74Å; F477-P512 HydrophobicContact CE1-CB 3.85Å; F477-P512 HydrophobicContact CE1-CG 3.78Å; F477-P512 HydrophobicContact CE2-CB 4.15Å; F477-P512 HydrophobicContact CE2-CG 3.85Å; F477-P512 HydrophobicContact CG-CG 3.64Å; F477-P512 HydrophobicContact CZ-CB 3.79Å; F477-P512 HydrophobicContact CZ-CG 3.86Å; P512-W514 VanDerWaalsContact C-N 3.31Å; P512-W514 HydrophobicContact CB-CD2 4.1Å; P512-W514 HydrophobicContact CB-CE3 4.31Å; P512-W514 HydrophobicContact CB-CH2 4.21Å; P512-W514 HydrophobicContact CB-CZ2 4.02Å; P512-W514 HydrophobicContact CB-CZ3 4.34Å; P512-W514 HydrophobicContact CG-CH2 4.12Å; P512-W514 HydrophobicContact CG-CZ2 3.82Å; P512-W514 PolarHBondContact O-N 2.95Å | ||
| 513 | N | 94.4 | Very high | 90 | Very high | 86 Ų | 86 | 68.7 Ų | 68.7 | 46% | 0.46 | 31% | 0.311 | S | S | . | . | trans | -81.4 | 82.3 | 169.3 | -172.6 | -22.1 | 0 | 0 | 0 | 109.4 | R511 N515 N516 E517 | R511-N513 PolarHBondContact O-N 3.13Å; N513-N515 PolarHBondContact O-N 3.04Å; N513-N515 WeakPolarHBondContact OD1-CB 3.44Å; N513-N515 PolarHBondContact OD1-N 3.44Å; N513-N516 HydrophobicContact CB-CB 4.31Å; N513-N516 PolarHBondContact ND2-ND2 3.29Å; N513-N516 PolarHBondContact O-N 3.36Å; N513-N516 PolarHBondContact OD1-N 3.4Å; N513-E517 WeakPolarHBondContact O-CG 3.22Å; N513-E517 PolarHBondContact O-N 3.46Å | ||
| 514 | W | 95 | Very high | 90.6 | Very high | 21 Ų | 21 | 72 Ų | 72 | 8% | 0.08 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55 | -27.1 | -176.7 | -63.7 | 115.9 | 0 | 0 | 0 | 114.7 | I405 Y440 I442 P512 E517 F518 L540 L544 M547 | I405-W514 HydrophobicContact CB-CH2 4.37Å; I405-W514 HydrophobicContact CD1-CE3 4.4Å; I405-W514 HydrophobicContact CD1-CH2 3.72Å; I405-W514 HydrophobicContact CD1-CZ3 3.64Å; I405-W514 HydrophobicContact CG1-CH2 3.94Å; I405-W514 HydrophobicContact CG1-CZ3 4.14Å; I405-W514 HydrophobicContact CG2-CH2 3.5Å; I405-W514 VanDerWaalsContact CG2-CH2 3.5Å; I405-W514 HydrophobicContact CG2-CZ2 3.89Å; I405-W514 HydrophobicContact CG2-CZ3 4.49Å; Y440-W514 HydrophobicContact CD1-CH2 4.33Å; Y440-W514 HydrophobicContact CD1-CZ3 4.17Å; Y440-W514 HydrophobicContact CD2-CZ3 4.44Å; Y440-W514 HydrophobicContact CG-CH2 4.19Å; Y440-W514 HydrophobicContact CG-CZ3 4.15Å; I442-W514 HydrophobicContact CD1-CH2 3.94Å; I442-W514 HydrophobicContact CD1-CZ2 3.46Å; I442-W514 VanDerWaalsContact CD1-CZ2 3.46Å; P512-W514 VanDerWaalsContact C-N 3.31Å; P512-W514 HydrophobicContact CB-CD2 4.1Å; P512-W514 HydrophobicContact CB-CE3 4.31Å; P512-W514 HydrophobicContact CB-CH2 4.21Å; P512-W514 HydrophobicContact CB-CZ2 4.02Å; P512-W514 HydrophobicContact CB-CZ3 4.34Å; P512-W514 HydrophobicContact CG-CH2 4.12Å; P512-W514 HydrophobicContact CG-CZ2 3.82Å; P512-W514 PolarHBondContact O-N 2.95Å; W514-E517 HydrophobicContact CE3-CB 4.39Å; W514-E517 HydrophobicContact CE3-CG 4.44Å; W514-F518 HydrophobicContact CB-CD2 4.4Å; W514-F518 HydrophobicContact CE3-CD2 4.27Å; W514-F518 AromaticContact CE3-CE2 3.9Å; W514-F518 HydrophobicContact CE3-CE2 3.9Å; W514-F518 WeakPolarHBondContact O-CB 3.36Å; W514-F518 WeakPolarHBondContact O-CD2 3.48Å; W514-F518 PolarHBondContact O-N 3.3Å; W514-L540 HydrophobicContact CZ2-CD1 4.08Å; W514-L540 VanDerWaalsContact NE1-CD1 3.31Å; W514-L544 HydrophobicContact CD2-CD2 3.56Å; W514-L544 HydrophobicContact CE3-CD2 3.79Å; W514-L544 HydrophobicContact CG-CD2 4.03Å; W514-L544 HydrophobicContact CH2-CD2 4.2Å; W514-L544 HydrophobicContact CZ2-CD2 3.94Å; W514-L544 HydrophobicContact CZ3-CD2 4.13Å; W514-M547 HydrophobicContact CB-CG 3.92Å |
| 515 | N | 94.3 | Very high | 91.2 | Very high | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.342 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.8 | -47.2 | 176.1 | -165.5 | 74.1 | 0 | 0 | 0 | 110.4 | N513 K519 M547 Y551 | N513-N515 PolarHBondContact O-N 3.04Å; N513-N515 WeakPolarHBondContact OD1-CB 3.44Å; N513-N515 PolarHBondContact OD1-N 3.44Å; N515-K519 WeakPolarHBondContact O-CB 3.46Å; N515-K519 PolarHBondContact O-N 3.17Å; N515-M547 HydrophobicContact CB-SD 4.48Å; N515-Y551 PolarHBondContact ND2-OH 3.31Å; N515-Y551 VanDerWaalsContact O-CZ 3.31Å; N515-Y551 PolarHBondContact O-OH 2.84Å; N515-Y551 PolarHBondContact OD1-OH 3.39Å |
| 516 | N | 94.5 | Very high | 91.5 | Very high | 76 Ų | 76 | 67.3 Ų | 67.3 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.5 | -44.1 | 177.5 | -69.5 | -3 | 0 | 0 | 0 | 111.7 | N513 F518 K519 Q520 | N513-N516 HydrophobicContact CB-CB 4.31Å; N513-N516 PolarHBondContact ND2-ND2 3.29Å; N513-N516 PolarHBondContact O-N 3.36Å; N513-N516 PolarHBondContact OD1-N 3.4Å; N516-F518 PolarHBondContact O-N 3.1Å; N516-K519 PolarHBondContact O-N 3.19Å; N516-Q520 WeakPolarHBondContact O-CB 3.39Å; N516-Q520 WeakPolarHBondContact O-CG 3.5Å; N516-Q520 PolarHBondContact O-N 3.45Å |
| 517 | E | 94.8 | Very high | 91.7 | Very high | 33 Ų | 33 | 68.2 Ų | 68.2 | 15% | 0.154 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.7 | -50.6 | 179.1 | -61.4 | -53 | 151.3 | 0 | 0 | 111.7 | Y440 N513 W514 K519 Q520 I521 | Y440-E517 HydrophobicContact CE1-CG 4.22Å; Y440-E517 PolarHBondContact OH-OE2 2.89Å; Y440-E517 VanDerWaalsContact OH-OE2 3.05Å; N513-E517 WeakPolarHBondContact O-CG 3.22Å; N513-E517 PolarHBondContact O-N 3.46Å; W514-E517 HydrophobicContact CE3-CB 4.39Å; W514-E517 HydrophobicContact CE3-CG 4.44Å; E517-K519 VanDerWaalsContact C-N 3.33Å; E517-K519 PolarHBondContact O-N 3.23Å; E517-Q520 PolarHBondContact O-N 2.99Å; E517-I521 WeakPolarHBondContact O-CB 2.99Å; E517-I521 VanDerWaalsContact O-CG1 3.24Å; E517-I521 WeakPolarHBondContact O-CG1 3.46Å; E517-I521 PolarHBondContact O-N 3.37Å |
| 518 | F | 95.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.1 | -35.6 | 179.6 | -84.8 | -107.1 | 0 | 0 | 0 | 112.1 | W514 N516 A522 V532 L544 M547 Y551 F561 | W514-F518 HydrophobicContact CB-CD2 4.4Å; W514-F518 HydrophobicContact CE3-CD2 4.27Å; W514-F518 AromaticContact CE3-CE2 3.9Å; W514-F518 HydrophobicContact CE3-CE2 3.9Å; W514-F518 WeakPolarHBondContact O-CB 3.36Å; W514-F518 WeakPolarHBondContact O-CD2 3.48Å; W514-F518 PolarHBondContact O-N 3.3Å; N516-F518 PolarHBondContact O-N 3.1Å; F518-A522 WeakPolarHBondContact O-CB 3.42Å; F518-A522 PolarHBondContact O-N 3.11Å; F518-V532 HydrophobicContact CE1-CG2 4.08Å; F518-V532 HydrophobicContact CZ-CG1 4.17Å; F518-V532 HydrophobicContact CZ-CG2 4.31Å; F518-L544 HydrophobicContact CE2-CD2 3.93Å; F518-L544 HydrophobicContact CZ-CD2 4.25Å; F518-M547 HydrophobicContact CD1-CB 4.01Å; F518-M547 HydrophobicContact CD2-CB 3.92Å; F518-M547 HydrophobicContact CE1-CB 4.13Å; F518-M547 HydrophobicContact CE2-CB 4.03Å; F518-M547 HydrophobicContact CG-CB 3.9Å; F518-M547 HydrophobicContact CZ-CB 4.12Å; F518-Y551 HydrophobicContact CB-CD2 3.39Å; F518-Y551 HydrophobicContact CB-CE2 3.81Å; F518-Y551 HydrophobicContact CB-CG 3.86Å; F518-Y551 HydrophobicContact CG-CD2 4.27Å; F518-F561 AromaticContact CD1-CD1 3.83Å; F518-F561 HydrophobicContact CD1-CD1 3.83Å; F518-F561 AromaticContact CD1-CE1 3.69Å; F518-F561 HydrophobicContact CD1-CE1 3.69Å; F518-F561 HydrophobicContact CD1-CG 4.29Å; F518-F561 HydrophobicContact CD1-CZ 4.05Å; F518-F561 AromaticContact CE1-CD1 3.75Å; F518-F561 HydrophobicContact CE1-CD1 3.75Å; F518-F561 AromaticContact CE1-CE1 3.99Å; F518-F561 HydrophobicContact CE1-CE1 3.99Å; F518-F561 HydrophobicContact CE1-CG 4.3Å |
| 519 | K | 93.8 | Very high | 91.9 | Very high | 131 Ų | 131 | 67.6 Ų | 67.6 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.7 | -45.1 | 174.1 | -173.8 | -180 | 178.3 | -176.3 | 0 | 111.5 | N515 N516 E517 A522 Y523 Y551 | N515-K519 WeakPolarHBondContact O-CB 3.46Å; N515-K519 PolarHBondContact O-N 3.17Å; N516-K519 PolarHBondContact O-N 3.19Å; E517-K519 VanDerWaalsContact C-N 3.33Å; E517-K519 PolarHBondContact O-N 3.23Å; K519-A522 PolarHBondContact O-N 3.39Å; K519-Y523 WeakPolarHBondContact O-CB 3.45Å; K519-Y523 PolarHBondContact O-N 3.07Å; K519-Y551 HydrophobicContact CB-CD1 4.39Å; K519-Y551 HydrophobicContact CB-CE1 3.59Å; K519-Y551 HydrophobicContact CG-CE1 4.08Å |
| 520 | Q | 94.1 | Very high | 92.2 | Very high | 119 Ų | 119 | 64.2 Ų | 64.2 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66 | -47.6 | 178.4 | -75.2 | -178.7 | -13.4 | 0 | 0 | 111.3 | N516 E517 A522 Y523 S524 | N516-Q520 WeakPolarHBondContact O-CB 3.39Å; N516-Q520 WeakPolarHBondContact O-CG 3.5Å; N516-Q520 PolarHBondContact O-N 3.45Å; E517-Q520 PolarHBondContact O-N 2.99Å; Q520-A522 VanDerWaalsContact C-N 3.28Å; Q520-A522 PolarHBondContact O-N 3.42Å; Q520-Y523 PolarHBondContact O-N 2.83Å; Q520-Y523 VanDerWaalsContact O-N 3.09Å; Q520-S524 PolarHBondContact O-N 2.82Å; Q520-S524 PolarHBondContact O-OG 3.31Å |
| 521 | I | 94.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 177.5 | -67.4 | 165.5 | 0 | 0 | 0 | 111 | V403 Y438 Y440 E517 Y523 S524 H525 I530 F561 | V403-I521 HydrophobicContact CG1-CD1 4.47Å; V403-I521 HydrophobicContact CG2-CD1 4Å; V403-I521 HydrophobicContact CG2-CG2 4.39Å; Y438-I521 HydrophobicContact CE1-CG1 4.43Å; Y438-I521 HydrophobicContact CE2-CG1 4.39Å; Y438-I521 HydrophobicContact CG-CD1 4.44Å; Y440-I521 HydrophobicContact CE2-CD1 4.46Å; E517-I521 WeakPolarHBondContact O-CB 2.99Å; E517-I521 VanDerWaalsContact O-CG1 3.24Å; E517-I521 WeakPolarHBondContact O-CG1 3.46Å; E517-I521 PolarHBondContact O-N 3.37Å; I521-Y523 VanDerWaalsContact C-N 3.33Å; I521-Y523 PolarHBondContact O-N 2.78Å; I521-S524 PolarHBondContact O-N 3.34Å; I521-H525 PolarHBondContact O-CD2 2.91Å; I521-H525 PolarHBondContact O-N 2.78Å; I521-I530 HydrophobicContact CG2-CD1 3.58Å; I521-I530 HydrophobicContact CG2-CG2 4.48Å; I521-F561 HydrophobicContact CB-CZ 4.43Å; I521-F561 HydrophobicContact CG2-CE1 3.86Å; I521-F561 HydrophobicContact CG2-CZ 4.01Å |
| 522 | A | 92.4 | Very high | 92.5 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | F518 K519 Q520 V559 F561 | F518-A522 WeakPolarHBondContact O-CB 3.42Å; F518-A522 PolarHBondContact O-N 3.11Å; K519-A522 PolarHBondContact O-N 3.39Å; Q520-A522 VanDerWaalsContact C-N 3.28Å; Q520-A522 PolarHBondContact O-N 3.42Å; A522-V559 HydrophobicContact CB-CG1 4.01Å; A522-F561 HydrophobicContact CB-CE2 4.01Å; A522-F561 HydrophobicContact CB-CZ 4.08Å |
| 523 | Y | 92.6 | Very high | 92.6 | Very high | 201 Ų | 201 | 52.7 Ų | 52.7 | 79% | 0.788 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -71.9 | -40.9 | 177.9 | -180 | -98.4 | 0 | 0 | 0 | 112.6 | K519 Q520 I521 H525 | K519-Y523 WeakPolarHBondContact O-CB 3.45Å; K519-Y523 PolarHBondContact O-N 3.07Å; Q520-Y523 PolarHBondContact O-N 2.83Å; Q520-Y523 VanDerWaalsContact O-N 3.09Å; I521-Y523 VanDerWaalsContact C-N 3.33Å; I521-Y523 PolarHBondContact O-N 2.78Å; Y523-H525 VanDerWaalsContact C-N 3.3Å; Y523-H525 PolarHBondContact O-N 2.94Å |
| 524 | S | 92.6 | Very high | 92.5 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70.2 | -24.6 | -179.4 | -61.8 | 0 | 0 | 0 | 0 | 113.7 | Q520 I521 P526 | Q520-S524 PolarHBondContact O-N 2.82Å; Q520-S524 PolarHBondContact O-OG 3.31Å; I521-S524 PolarHBondContact O-N 3.34Å; S524-P526 VanDerWaalsContact C-CD 3.48Å; S524-P526 WeakPolarHBondContact O-CD 3.43Å |
| 525 | H | 91.3 | Very high | 92.3 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -127.4 | 65.5 | -175.3 | -60.3 | -76 | 0 | 0 | 0 | 111.5 | V401 Y438 I521 Y523 S527 S528 I530 | V401-H525 HydrophobicContact CG2-CB 4.34Å; Y438-H525 AromaticContact CE2-NE2 3.57Å; Y438-H525 AromaticContact CZ-NE2 3.7Å; Y438-H525 PolarHBondContact OH-NE2 2.64Å; I521-H525 PolarHBondContact O-CD2 2.91Å; I521-H525 PolarHBondContact O-N 2.78Å; Y523-H525 VanDerWaalsContact C-N 3.3Å; Y523-H525 PolarHBondContact O-N 2.94Å; H525-S527 PolarHBondContact O-N 3.47Å; H525-S528 PolarHBondContact O-N 3.44Å; H525-I530 HydrophobicContact CB-CD1 4.16Å |
| 526 | P | 86.3 | Confident | 92.1 | Very high | 92 Ų | 92 | 46.1 Ų | 46.1 | 60% | 0.597 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 141.4 | 177.1 | 27.9 | -34 | 0 | 0 | 0 | 109.5 | S524 S528 | S524-P526 VanDerWaalsContact C-CD 3.48Å; S524-P526 WeakPolarHBondContact O-CD 3.43Å; P526-S528 PolarHBondContact O-N 3.27Å; P526-S528 VanDerWaalsContact O-N 3.09Å |
| 527 | S | 87.3 | Confident | 91.9 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 60% | 0.601 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 15.8 | 176.9 | -54.9 | 0 | 0 | 0 | 0 | 116.4 | H525 R557 | H525-S527 PolarHBondContact O-N 3.47Å; S527-R557 WeakPolarHBondContact CA-O 3.35Å; S527-R557 WeakPolarHBondContact CB-O 3.33Å; S527-R557 PolarHBondContact OG-O 2.89Å |
| 528 | S | 87.9 | Confident | 91.5 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | trans | -94.7 | 146.3 | 179.2 | -69.8 | 0 | 0 | 0 | 0 | 113 | H525 P526 V559 H560 | H525-S528 PolarHBondContact O-N 3.44Å; P526-S528 PolarHBondContact O-N 3.27Å; P526-S528 VanDerWaalsContact O-N 3.09Å; S528-V559 WeakPolarHBondContact O-CA 3.24Å; S528-H560 PolarHBondContact O-N 3.02Å | ||
| 529 | S | 90.1 | Very high | 91.3 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 113.3 | 166.7 | -69.9 | 0 | 0 | 0 | 0 | 109.4 | P400 | P400-S529 VanDerWaalsContact CD-O 3.24Å; P400-S529 WeakPolarHBondContact CD-O 3.3Å; P400-S529 WeakPolarHBondContact CG-O 3.43Å |
| 530 | I | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 119.5 | -173.6 | -51.9 | -171.7 | 0 | 0 | 0 | 109.6 | V401 V403 I521 H525 V559 H560 F561 Y562 | V401-I530 HydrophobicContact CB-CG1 4.2Å; V401-I530 HydrophobicContact CB-CG2 4.36Å; V401-I530 HydrophobicContact CG1-CG2 4.18Å; V401-I530 WeakPolarHBondContact O-CA 3.21Å; V403-I530 HydrophobicContact CG2-CG2 3.71Å; I521-I530 HydrophobicContact CG2-CD1 3.58Å; I521-I530 HydrophobicContact CG2-CG2 4.48Å; H525-I530 HydrophobicContact CB-CD1 4.16Å; I530-V559 HydrophobicContact CD1-CG2 3.61Å; I530-V559 HydrophobicContact CG1-CG2 4.06Å; I530-H560 PolarHBondContact N-O 2.98Å; I530-F561 HydrophobicContact CB-CD1 3.88Å; I530-F561 HydrophobicContact CB-CE1 4.07Å; I530-F561 HydrophobicContact CB-CG 4.48Å; I530-F561 HydrophobicContact CD1-CD1 4.42Å; I530-F561 HydrophobicContact CD1-CE1 3.79Å; I530-F561 HydrophobicContact CD1-CZ 3.86Å; I530-F561 HydrophobicContact CG1-CE1 4.46Å; I530-F561 HydrophobicContact CG2-CD1 3.86Å; I530-F561 HydrophobicContact CG2-CE1 3.88Å; I530-F561 WeakPolarHBondContact O-CA 3.35Å; I530-Y562 PolarHBondContact O-N 2.64Å |
| 531 | G | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 120.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V401 S402 V403 | V401-G531 PolarHBondContact O-N 2.92Å; S402-G531 CarbonylContact C-O 3.54Å; S402-G531 WeakPolarHBondContact CA-O 3.31Å; V403-G531 PolarHBondContact N-O 3.24Å |
| 532 | V | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 111.8 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | V403 I405 F518 F561 Y562 Y563 N564 | V403-V532 HydrophobicContact CB-CG2 4.27Å; V403-V532 CarbonylContact O-C 3.58Å; V403-V532 WeakPolarHBondContact O-CA 3.36Å; I405-V532 HydrophobicContact CD1-CG1 4.05Å; F518-V532 HydrophobicContact CE1-CG2 4.08Å; F518-V532 HydrophobicContact CZ-CG1 4.17Å; F518-V532 HydrophobicContact CZ-CG2 4.31Å; V532-F561 HydrophobicContact CG2-CB 4.33Å; V532-F561 HydrophobicContact CG2-CD1 3.71Å; V532-Y562 PolarHBondContact N-O 3.5Å; V532-Y563 HydrophobicContact CB-CD2 4.5Å; V532-Y563 HydrophobicContact CG1-CD2 4.18Å; V532-N564 PolarHBondContact O-N 3.25Å |
| 533 | F | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.4 | -178.1 | -60.5 | -90 | 0 | 0 | 0 | 109.3 | A392 L393 D395 V396 Y399 V403 I405 F414 N564 | A392-F533 WeakPolarHBondContact O-CE1 3.48Å; L393-F533 HydrophobicContact CD1-CB 3.7Å; L393-F533 HydrophobicContact CD1-CD1 3.93Å; L393-F533 HydrophobicContact CD1-CG 3.86Å; D395-F533 HydrophobicContact CB-CE1 4.37Å; D395-F533 HydrophobicContact CB-CZ 4.46Å; V396-F533 HydrophobicContact CB-CE2 4.15Å; V396-F533 HydrophobicContact CB-CZ 4.21Å; V396-F533 HydrophobicContact CG2-CD1 3.98Å; V396-F533 HydrophobicContact CG2-CD2 3.58Å; V396-F533 HydrophobicContact CG2-CE1 3.89Å; V396-F533 HydrophobicContact CG2-CE2 3.48Å; V396-F533 VanDerWaalsContact CG2-CE2 3.48Å; V396-F533 HydrophobicContact CG2-CG 3.83Å; V396-F533 HydrophobicContact CG2-CZ 3.63Å; Y399-F533 HydrophobicContact CD2-CE2 4.05Å; Y399-F533 AromaticContact CD2-CZ 3.8Å; Y399-F533 HydrophobicContact CD2-CZ 3.8Å; Y399-F533 HydrophobicContact CE2-CE2 4.31Å; Y399-F533 AromaticContact CE2-CZ 3.72Å; Y399-F533 HydrophobicContact CE2-CZ 3.72Å; V403-F533 PolarHBondContact O-N 2.83Å; I405-F533 PolarHBondContact N-O 2.68Å; F414-F533 HydrophobicContact CE1-CB 4.04Å; F414-F533 HydrophobicContact CZ-CB 4.31Å; F533-N564 WeakPolarHBondContact CA-O 3.25Å; F533-N564 HydrophobicContact CD1-CB 3.64Å; F533-N564 HydrophobicContact CE1-CB 3.84Å; F533-N564 WeakPolarHBondContact CE1-ND2 3.23Å; F533-N564 HydrophobicContact CG-CB 4.4Å |
| 534 | F | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.9 | -175.6 | 174.4 | -104.2 | 0 | 0 | 0 | 112.4 | I405 G536 L540 L544 Y563 N564 K565 E566 | I405-F534 HydrophobicContact CB-CD2 3.96Å; I405-F534 HydrophobicContact CG2-CD2 3.76Å; I405-F534 HydrophobicContact CG2-CE2 4.12Å; I405-F534 WeakPolarHBondContact O-CA 3.43Å; I405-F534 WeakPolarHBondContact O-CD2 3.39Å; F534-G536 VanDerWaalsContact CZ-CA 3.48Å; F534-L540 HydrophobicContact CE2-CB 4.28Å; F534-L540 HydrophobicContact CE2-CD2 3.49Å; F534-L540 VanDerWaalsContact CE2-CD2 3.49Å; F534-L540 HydrophobicContact CE2-CG 3.65Å; F534-L540 HydrophobicContact CZ-CB 3.85Å; F534-L540 HydrophobicContact CZ-CD2 3.85Å; F534-L540 HydrophobicContact CZ-CG 3.75Å; F534-L544 HydrophobicContact CB-CD1 4.02Å; F534-L544 HydrophobicContact CD1-CD1 4.41Å; F534-L544 HydrophobicContact CD2-CD1 3.2Å; F534-L544 HydrophobicContact CE2-CD1 3.7Å; F534-L544 HydrophobicContact CG-CD1 3.6Å; F534-L544 HydrophobicContact CZ-CD1 4.46Å; F534-Y563 HydrophobicContact CB-CE2 3.88Å; F534-Y563 WeakPolarHBondContact CD1-OH 3.19Å; F534-N564 PolarHBondContact N-O 2.04Å; F534-K565 HydrophobicContact CD1-CG 4.5Å; F534-E566 PolarHBondContact O-N 2.85Å |
| 535 | C | 91.3 | Very high | 91 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 5% | 0.047 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 118.6 | 168.1 | -169 | 0 | 0 | 0 | 0 | 110.4 | I405 A407 G410 P413 F414 E566 | I405-C535 PolarHBondContact O-N 3Å; A407-C535 PolarHBondContact N-O 3.36Å; G410-C535 VanDerWaalsContact CA-SG 3.53Å; G410-C535 VanDerWaalsContact O-CB 3.23Å; G410-C535 WeakPolarHBondContact O-CB 3.21Å; P413-C535 HydrophobicContact CG-CB 4.09Å; F414-C535 HydrophobicContact CE2-CB 3.84Å; F414-C535 HydrophobicContact CZ-CB 4.49Å; C535-E566 HydrophobicContact CB-CB 3.84Å; C535-E566 HydrophobicContact CB-CG 4.33Å |
| 536 | G | 90.3 | Very high | 90.9 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 27% | 0.268 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 158.3 | -162 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | F534 | F534-G536 VanDerWaalsContact CZ-CA 3.48Š|
| 537 | P | 89.4 | Confident | 91.3 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | trans | -59.4 | 145.7 | -173.6 | -26.2 | 34.7 | 0 | 0 | 0 | 115.1 | A539 L540 S541 | P537-A539 VanDerWaalsContact C-N 3.26Å; P537-A539 PolarHBondContact O-N 2.76Å; P537-L540 PolarHBondContact O-N 3.45Å; P537-S541 PolarHBondContact O-N 2.93Å; P537-S541 VanDerWaalsContact O-N 3.08Å | ||
| 538 | K | 87.6 | Confident | 91.5 | Very high | 118 Ų | 118 | 41.2 Ų | 41.2 | 51% | 0.513 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.2 | -36.8 | 179.2 | -68.9 | -178.4 | -175.1 | 173.3 | 0 | 112.9 | E193 S541 R542 | E193-K538 IonicContact OE1-NZ 3.32Å; E193-K538 PolarHBondContact OE1-NZ 2.84Å; E193-K538 IonicContact OE2-NZ 3.98Å; K538-S541 WeakPolarHBondContact O-CB 3.3Å; K538-S541 PolarHBondContact O-N 2.96Å; K538-R542 WeakPolarHBondContact O-CG 3.46Å; K538-R542 PolarHBondContact O-N 3.31Å |
| 539 | A | 90.6 | Very high | 91.5 | Very high | 70 Ų | 70 | 44 Ų | 44 | 58% | 0.579 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63.3 | -48.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P537 S541 R542 T543 | P537-A539 VanDerWaalsContact C-N 3.26Å; P537-A539 PolarHBondContact O-N 2.76Å; A539-S541 VanDerWaalsContact C-N 3.34Å; A539-S541 PolarHBondContact O-N 3.04Å; A539-R542 PolarHBondContact O-N 2.79Å; A539-T543 PolarHBondContact O-N 3.21Å; A539-T543 PolarHBondContact O-OG1 2.91Å |
| 540 | L | 92.2 | Very high | 91.5 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.4 | -38.1 | 177.3 | 179.3 | 56.1 | 0 | 0 | 0 | 111.6 | A407 I442 W514 F534 P537 R542 T543 L544 | A407-L540 HydrophobicContact CB-CD2 4.17Å; I442-L540 HydrophobicContact CD1-CD2 3.97Å; W514-L540 HydrophobicContact CZ2-CD1 4.08Å; W514-L540 VanDerWaalsContact NE1-CD1 3.31Å; F534-L540 HydrophobicContact CE2-CB 4.28Å; F534-L540 HydrophobicContact CE2-CD2 3.49Å; F534-L540 VanDerWaalsContact CE2-CD2 3.49Å; F534-L540 HydrophobicContact CE2-CG 3.65Å; F534-L540 HydrophobicContact CZ-CB 3.85Å; F534-L540 HydrophobicContact CZ-CD2 3.85Å; F534-L540 HydrophobicContact CZ-CG 3.75Å; P537-L540 PolarHBondContact O-N 3.45Å; L540-R542 VanDerWaalsContact C-N 3.31Å; L540-R542 PolarHBondContact O-N 2.79Å; L540-T543 PolarHBondContact O-N 2.87Å; L540-T543 VanDerWaalsContact O-N 3.14Å; L540-L544 HydrophobicContact CD1-CD1 4.25Å; L540-L544 HydrophobicContact CD1-CD2 4.49Å; L540-L544 HydrophobicContact CD1-CG 4.07Å; L540-L544 HydrophobicContact CG-CD1 4.04Å; L540-L544 HydrophobicContact CG-CG 4.33Å; L540-L544 WeakPolarHBondContact O-CG 3.38Å; L540-L544 PolarHBondContact O-N 3.01Å |
| 541 | S | 91.1 | Very high | 91.3 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.4 | -45.5 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | P537 K538 A539 T543 L544 Q545 Y563 | P537-S541 PolarHBondContact O-N 2.93Å; P537-S541 VanDerWaalsContact O-N 3.08Å; K538-S541 WeakPolarHBondContact O-CB 3.3Å; K538-S541 PolarHBondContact O-N 2.96Å; A539-S541 VanDerWaalsContact C-N 3.34Å; A539-S541 PolarHBondContact O-N 3.04Å; S541-T543 PolarHBondContact O-N 2.94Å; S541-L544 PolarHBondContact O-N 3.35Å; S541-Q545 VanDerWaalsContact O-CG 3.31Å; S541-Q545 WeakPolarHBondContact O-CG 3.28Å; S541-Q545 PolarHBondContact O-N 3.34Å; S541-Y563 WeakPolarHBondContact CA-OH 3.39Å; S541-Y563 WeakPolarHBondContact CB-OH 3.42Å; S541-Y563 PolarHBondContact OG-OH 2.96Å |
| 542 | R | 90.5 | Very high | 91.2 | Very high | 181 Ų | 181 | 49.5 Ų | 49.5 | 68% | 0.683 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 178.2 | -68.1 | 176.5 | -172.9 | 168.2 | 1.4 | 112 | K538 A539 L540 Q545 K546 | K538-R542 WeakPolarHBondContact O-CG 3.46Å; K538-R542 PolarHBondContact O-N 3.31Å; A539-R542 PolarHBondContact O-N 2.79Å; L540-R542 VanDerWaalsContact C-N 3.31Å; L540-R542 PolarHBondContact O-N 2.79Å; R542-Q545 PolarHBondContact O-N 2.89Å; R542-K546 PolarHBondContact O-N 3.13Å; R542-K546 VanDerWaalsContact O-N 3.08Å |
| 543 | T | 93.3 | Very high | 90.7 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 36% | 0.362 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | A539 L540 S541 Q545 K546 M547 | A539-T543 PolarHBondContact O-N 3.21Å; A539-T543 PolarHBondContact O-OG1 2.91Å; L540-T543 PolarHBondContact O-N 2.87Å; L540-T543 VanDerWaalsContact O-N 3.14Å; S541-T543 PolarHBondContact O-N 2.94Å; T543-Q545 PolarHBondContact O-N 3.39Å; T543-K546 WeakPolarHBondContact O-CB 3.32Å; T543-K546 PolarHBondContact O-N 2.91Å; T543-K546 VanDerWaalsContact O-N 3.1Å; T543-M547 HydrophobicContact CG2-CE 4.42Å; T543-M547 WeakPolarHBondContact O-CG 3.49Å; T543-M547 PolarHBondContact O-N 3.2Å |
| 544 | L | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 179.6 | -66.2 | 173.8 | 0 | 0 | 0 | 112.2 | I405 W514 F518 F534 L540 S541 K546 M547 C548 Y563 | I405-L544 HydrophobicContact CB-CD1 4.34Å; I405-L544 HydrophobicContact CD1-CD1 3.8Å; I405-L544 HydrophobicContact CD1-CD2 3.62Å; I405-L544 HydrophobicContact CD1-CG 4.33Å; I405-L544 HydrophobicContact CG2-CD1 4.02Å; W514-L544 HydrophobicContact CD2-CD2 3.56Å; W514-L544 HydrophobicContact CE3-CD2 3.79Å; W514-L544 HydrophobicContact CG-CD2 4.03Å; W514-L544 HydrophobicContact CH2-CD2 4.2Å; W514-L544 HydrophobicContact CZ2-CD2 3.94Å; W514-L544 HydrophobicContact CZ3-CD2 4.13Å; F518-L544 HydrophobicContact CE2-CD2 3.93Å; F518-L544 HydrophobicContact CZ-CD2 4.25Å; F534-L544 HydrophobicContact CB-CD1 4.02Å; F534-L544 HydrophobicContact CD1-CD1 4.41Å; F534-L544 HydrophobicContact CD2-CD1 3.2Å; F534-L544 HydrophobicContact CE2-CD1 3.7Å; F534-L544 HydrophobicContact CG-CD1 3.6Å; F534-L544 HydrophobicContact CZ-CD1 4.46Å; L540-L544 HydrophobicContact CD1-CD1 4.25Å; L540-L544 HydrophobicContact CD1-CD2 4.49Å; L540-L544 HydrophobicContact CD1-CG 4.07Å; L540-L544 HydrophobicContact CG-CD1 4.04Å; L540-L544 HydrophobicContact CG-CG 4.33Å; L540-L544 WeakPolarHBondContact O-CG 3.38Å; L540-L544 PolarHBondContact O-N 3.01Å; S541-L544 PolarHBondContact O-N 3.35Å; L544-K546 VanDerWaalsContact C-N 3.28Å; L544-K546 PolarHBondContact O-N 2.72Å; L544-M547 PolarHBondContact O-N 3.24Å; L544-M547 VanDerWaalsContact O-N 3.15Å; L544-C548 PolarHBondContact O-N 3.45Å; L544-C548 PolarHBondContact O-SG 3.46Å; L544-Y563 HydrophobicContact CB-CD2 4.33Å; L544-Y563 HydrophobicContact CB-CE2 3.69Å |
| 545 | Q | 90.9 | Very high | 89.3 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 24% | 0.243 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.6 | -41.9 | 172.2 | -77.3 | 177.8 | 2.7 | 0 | 0 | 112.3 | S541 R542 T543 R549 Y563 | S541-Q545 VanDerWaalsContact O-CG 3.31Å; S541-Q545 WeakPolarHBondContact O-CG 3.28Å; S541-Q545 PolarHBondContact O-N 3.34Å; R542-Q545 PolarHBondContact O-N 2.89Å; T543-Q545 PolarHBondContact O-N 3.39Å; Q545-R549 VanDerWaalsContact O-CG 3.29Å; Q545-R549 WeakPolarHBondContact O-CG 3.48Å; Q545-R549 PolarHBondContact O-N 3.46Å; Q545-Y563 HydrophobicContact CG-CD1 3.33Å; Q545-Y563 HydrophobicContact CG-CD2 4.11Å; Q545-Y563 HydrophobicContact CG-CE1 3.29Å; Q545-Y563 HydrophobicContact CG-CE2 4.12Å; Q545-Y563 HydrophobicContact CG-CG 3.73Å |
| 546 | K | 91.1 | Very high | 88.6 | Confident | 143 Ų | 143 | 63.1 Ų | 63.1 | 62% | 0.622 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 175.9 | -173.2 | -179.8 | 177.3 | -177.5 | 0 | 111 | R542 T543 L544 R549 L550 | R542-K546 PolarHBondContact O-N 3.13Å; R542-K546 VanDerWaalsContact O-N 3.08Å; T543-K546 WeakPolarHBondContact O-CB 3.32Å; T543-K546 PolarHBondContact O-N 2.91Å; T543-K546 VanDerWaalsContact O-N 3.1Å; L544-K546 VanDerWaalsContact C-N 3.28Å; L544-K546 PolarHBondContact O-N 2.72Å; K546-R549 PolarHBondContact O-N 3.04Å; K546-L550 WeakPolarHBondContact O-CB 3.49Å; K546-L550 PolarHBondContact O-N 3.47Å |
| 547 | M | 93.4 | Very high | 88 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 12% | 0.118 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 178.7 | -63.5 | -59.1 | 141.7 | 0 | 0 | 112.4 | W514 N515 F518 T543 L544 R549 L550 Y551 | W514-M547 HydrophobicContact CB-CG 3.92Å; N515-M547 HydrophobicContact CB-SD 4.48Å; F518-M547 HydrophobicContact CD1-CB 4.01Å; F518-M547 HydrophobicContact CD2-CB 3.92Å; F518-M547 HydrophobicContact CE1-CB 4.13Å; F518-M547 HydrophobicContact CE2-CB 4.03Å; F518-M547 HydrophobicContact CG-CB 3.9Å; F518-M547 HydrophobicContact CZ-CB 4.12Å; T543-M547 HydrophobicContact CG2-CE 4.42Å; T543-M547 WeakPolarHBondContact O-CG 3.49Å; T543-M547 PolarHBondContact O-N 3.2Å; L544-M547 PolarHBondContact O-N 3.24Å; L544-M547 VanDerWaalsContact O-N 3.15Å; M547-R549 PolarHBondContact O-N 3.42Å; M547-L550 PolarHBondContact O-N 2.97Å; M547-L550 VanDerWaalsContact O-N 3.14Å; M547-L550 HydrophobicContact SD-CD2 4.44Å; M547-Y551 WeakPolarHBondContact O-CD2 3.37Å; M547-Y551 PolarHBondContact O-N 3.14Å; M547-Y551 HydrophobicContact SD-CE2 4.1Å |
| 548 | C | 91.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.007 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54.9 | -41.3 | 173.8 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | L544 S552 F561 | L544-C548 PolarHBondContact O-N 3.45Å; L544-C548 PolarHBondContact O-SG 3.46Å; C548-S552 WeakPolarHBondContact O-CB 3.33Å; C548-S552 PolarHBondContact O-N 2.79Å; C548-S552 PolarHBondContact O-OG 3.39Å; C548-F561 HydrophobicContact CB-CB 3.8Å |
| 549 | R | 87.5 | Confident | 87.8 | Confident | 87 Ų | 87 | 63 Ų | 63 | 33% | 0.328 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.7 | -39.1 | 178.7 | -70 | 170.8 | -176.4 | -179.8 | 0.8 | 112.7 | Q545 K546 M547 | Q545-R549 VanDerWaalsContact O-CG 3.29Å; Q545-R549 WeakPolarHBondContact O-CG 3.48Å; Q545-R549 PolarHBondContact O-N 3.46Å; K546-R549 PolarHBondContact O-N 3.04Å; M547-R549 PolarHBondContact O-N 3.42Å |
| 550 | L | 89.9 | Confident | 87.8 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.1 | -40 | -177.7 | -176.8 | 64 | 0 | 0 | 0 | 112 | K546 M547 | K546-L550 WeakPolarHBondContact O-CB 3.49Å; K546-L550 PolarHBondContact O-N 3.47Å; M547-L550 PolarHBondContact O-N 2.97Å; M547-L550 VanDerWaalsContact O-N 3.14Å; M547-L550 HydrophobicContact SD-CD2 4.44Å |
| 551 | Y | 90.4 | Very high | 87.7 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -98.3 | 0.5 | -174.7 | -71.5 | -75.2 | 0 | 0 | 0 | 114.5 | N515 F518 K519 M547 F561 | N515-Y551 PolarHBondContact ND2-OH 3.31Å; N515-Y551 VanDerWaalsContact O-CZ 3.31Å; N515-Y551 PolarHBondContact O-OH 2.84Å; N515-Y551 PolarHBondContact OD1-OH 3.39Å; F518-Y551 HydrophobicContact CB-CD2 3.39Å; F518-Y551 HydrophobicContact CB-CE2 3.81Å; F518-Y551 HydrophobicContact CB-CG 3.86Å; F518-Y551 HydrophobicContact CG-CD2 4.27Å; K519-Y551 HydrophobicContact CB-CD1 4.39Å; K519-Y551 HydrophobicContact CB-CE1 3.59Å; K519-Y551 HydrophobicContact CG-CE1 4.08Å; M547-Y551 WeakPolarHBondContact O-CD2 3.37Å; M547-Y551 PolarHBondContact O-N 3.14Å; M547-Y551 HydrophobicContact SD-CE2 4.1Å; Y551-F561 WeakPolarHBondContact O-CE2 3.43Å |
| 552 | S | 89 | Confident | 87.6 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -78.2 | 136.6 | 168.4 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | C4 C548 F561 | C4-S552 PolarHBondContact SG-O 2.97Å; C548-S552 WeakPolarHBondContact O-CB 3.33Å; C548-S552 PolarHBondContact O-N 2.79Å; C548-S552 PolarHBondContact O-OG 3.39Å; S552-F561 PolarHBondContact OG-N 3.39Å |
| 553 | S | 84.8 | Confident | 87.6 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | trans | -73.2 | 151.8 | 173.9 | -173 | 0 | 0 | 0 | 0 | 111.3 | C4 D555 V559 H560 | C4-S553 PolarHBondContact SG-O 3.28Å; S553-D555 PolarHBondContact OG-N 2.67Å; S553-D555 VanDerWaalsContact OG-N 3.13Å; S553-V559 PolarHBondContact N-O 3.01Å; S553-H560 PolarHBondContact O-CE1 3.33Å; S553-H560 VanDerWaalsContact O-CE1 3.24Å; S553-H560 PolarHBondContact O-ND1 3.4Å | ||
| 554 | A | 78.3 | Confident | 87.3 | Confident | 80 Ų | 80 | 50.7 Ų | 50.7 | 66% | 0.661 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -80.9 | -25.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 555 | D | 79.2 | Confident | 86.8 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 33% | 0.326 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -74.2 | 127.1 | 174.6 | -173.1 | -26 | 0 | 0 | 0 | 108.9 | S553 R557 G558 H560 | S553-D555 PolarHBondContact OG-N 2.67Å; S553-D555 VanDerWaalsContact OG-N 3.13Å; D555-R557 PolarHBondContact O-N 3.35Å; D555-R557 WeakPolarHBondContact OD1-CB 3.06Å; D555-R557 PolarHBondContact OD1-N 3.4Å; D555-R557 IonicContact OD1-NE 3.55Å; D555-R557 PolarHBondContact OD1-NE 3.12Å; D555-R557 IonicContact OD2-CZ 2.65Å; D555-R557 IonicContact OD2-NE 3.74Å; D555-R557 PolarHBondContact OD2-NE 3.1Å; D555-R557 IonicContact OD2-NH2 3.11Å; D555-R557 PolarHBondContact OD2-NH2 3.23Å; D555-G558 PolarHBondContact O-N 2.96Å; D555-H560 PolarHBondContact O-CE1 3.17Å; D555-H560 PolarHBondContact O-NE2 2.77Å |
| 556 | P | 74.6 | Confident | 86.1 | Confident | 112 Ų | 112 | 52 Ų | 52 | 73% | 0.727 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -27.3 | 172.4 | -27.3 | 34.6 | 0 | 0 | 0 | 114.6 | H560 | P556-H560 PolarHBondContact O-NE2 3.23Å; P556-H560 VanDerWaalsContact O-NE2 3.09Å |
| 557 | R | 78.8 | Confident | 84.8 | Confident | 187 Ų | 187 | 48.7 Ų | 48.7 | 71% | 0.706 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -4.8 | 177.3 | -59.4 | 173.5 | -65.2 | 178.7 | 5.1 | 113.7 | S527 D555 | S527-R557 WeakPolarHBondContact CA-O 3.35Å; S527-R557 WeakPolarHBondContact CB-O 3.33Å; S527-R557 PolarHBondContact OG-O 2.89Å; D555-R557 PolarHBondContact O-N 3.35Å; D555-R557 WeakPolarHBondContact OD1-CB 3.06Å; D555-R557 PolarHBondContact OD1-N 3.4Å; D555-R557 IonicContact OD1-NE 3.55Å; D555-R557 PolarHBondContact OD1-NE 3.12Å; D555-R557 IonicContact OD2-CZ 2.65Å; D555-R557 IonicContact OD2-NE 3.74Å; D555-R557 PolarHBondContact OD2-NE 3.1Å; D555-R557 IonicContact OD2-NH2 3.11Å; D555-R557 PolarHBondContact OD2-NH2 3.23Å |
| 558 | G | 83.6 | Confident | 83 | Confident | 14 Ų | 14 | 53.3 Ų | 53.3 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -82.4 | -174.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D555 H560 | D555-G558 PolarHBondContact O-N 2.96Å; G558-H560 PolarHBondContact O-CD2 3.05Å; G558-H560 PolarHBondContact O-NE2 3.19Å |
| 559 | V | 89.4 | Confident | 82.6 | Confident | 17 Ų | 17 | 56 Ų | 56 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | trans | -75 | 136.8 | 173.6 | 62.1 | 0 | 0 | 0 | 0 | 110.6 | A522 S528 I530 S553 F561 | A522-V559 HydrophobicContact CB-CG1 4.01Å; S528-V559 WeakPolarHBondContact O-CA 3.24Å; I530-V559 HydrophobicContact CD1-CG2 3.61Å; I530-V559 HydrophobicContact CG1-CG2 4.06Å; S553-V559 PolarHBondContact N-O 3.01Å; V559-F561 HydrophobicContact CG1-CE2 4.38Å; V559-F561 HydrophobicContact CG2-CD2 4.36Å; V559-F561 HydrophobicContact CG2-CE2 3.84Å; V559-F561 HydrophobicContact CG2-CZ 4.29Å | ||
| 560 | H | 90.1 | Very high | 82.3 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 6% | 0.06 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 123.7 | -179 | -65.5 | -73.1 | 0 | 0 | 0 | 111 | S528 I530 S553 D555 P556 G558 Y562 | S528-H560 PolarHBondContact O-N 3.02Å; I530-H560 PolarHBondContact N-O 2.98Å; S553-H560 PolarHBondContact O-CE1 3.33Å; S553-H560 VanDerWaalsContact O-CE1 3.24Å; S553-H560 PolarHBondContact O-ND1 3.4Å; D555-H560 PolarHBondContact O-CE1 3.17Å; D555-H560 PolarHBondContact O-NE2 2.77Å; P556-H560 PolarHBondContact O-NE2 3.23Å; P556-H560 VanDerWaalsContact O-NE2 3.09Å; G558-H560 PolarHBondContact O-CD2 3.05Å; G558-H560 PolarHBondContact O-NE2 3.19Å; H560-Y562 HydrophobicContact CB-CD2 4.46Å; H560-Y562 HydrophobicContact CB-CE2 3.65Å |
| 561 | F | 91.3 | Very high | 81.9 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.9 | 176.4 | -68.1 | -93.6 | 0 | 0 | 0 | 111.3 | N8 F518 I521 A522 I530 V532 C548 Y551 S552 V559 | N8-F561 PolarHBondContact ND2-O 3.15Å; F518-F561 AromaticContact CD1-CD1 3.83Å; F518-F561 HydrophobicContact CD1-CD1 3.83Å; F518-F561 AromaticContact CD1-CE1 3.69Å; F518-F561 HydrophobicContact CD1-CE1 3.69Å; F518-F561 HydrophobicContact CD1-CG 4.29Å; F518-F561 HydrophobicContact CD1-CZ 4.05Å; F518-F561 AromaticContact CE1-CD1 3.75Å; F518-F561 HydrophobicContact CE1-CD1 3.75Å; F518-F561 AromaticContact CE1-CE1 3.99Å; F518-F561 HydrophobicContact CE1-CE1 3.99Å; F518-F561 HydrophobicContact CE1-CG 4.3Å; I521-F561 HydrophobicContact CB-CZ 4.43Å; I521-F561 HydrophobicContact CG2-CE1 3.86Å; I521-F561 HydrophobicContact CG2-CZ 4.01Å; A522-F561 HydrophobicContact CB-CE2 4.01Å; A522-F561 HydrophobicContact CB-CZ 4.08Å; I530-F561 HydrophobicContact CB-CD1 3.88Å; I530-F561 HydrophobicContact CB-CE1 4.07Å; I530-F561 HydrophobicContact CB-CG 4.48Å; I530-F561 HydrophobicContact CD1-CD1 4.42Å; I530-F561 HydrophobicContact CD1-CE1 3.79Å; I530-F561 HydrophobicContact CD1-CZ 3.86Å; I530-F561 HydrophobicContact CG1-CE1 4.46Å; I530-F561 HydrophobicContact CG2-CD1 3.86Å; I530-F561 HydrophobicContact CG2-CE1 3.88Å; I530-F561 WeakPolarHBondContact O-CA 3.35Å; V532-F561 HydrophobicContact CG2-CB 4.33Å; V532-F561 HydrophobicContact CG2-CD1 3.71Å; C548-F561 HydrophobicContact CB-CB 3.8Å; Y551-F561 WeakPolarHBondContact O-CE2 3.43Å; S552-F561 PolarHBondContact OG-N 3.39Å; V559-F561 HydrophobicContact CG1-CE2 4.38Å; V559-F561 HydrophobicContact CG2-CD2 4.36Å; V559-F561 HydrophobicContact CG2-CE2 3.84Å; V559-F561 HydrophobicContact CG2-CZ 4.29Å |
| 562 | Y | 89 | Confident | 81.4 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 17% | 0.169 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 108.3 | 178.7 | -62.6 | -86 | 0 | 0 | 0 | 109.7 | Y399 I530 V532 H560 N564 | Y399-Y562 HydrophobicContact CD1-CD2 4.28Å; Y399-Y562 AromaticContact CE1-CD2 3.5Å; Y399-Y562 HydrophobicContact CE1-CD2 3.5Å; Y399-Y562 HydrophobicContact CE1-CE2 4.24Å; Y399-Y562 AromaticContact CE1-CG 3.81Å; Y399-Y562 HydrophobicContact CE1-CG 3.81Å; Y399-Y562 WeakPolarHBondContact OH-CB 3.46Å; I530-Y562 PolarHBondContact O-N 2.64Å; V532-Y562 PolarHBondContact N-O 3.5Å; H560-Y562 HydrophobicContact CB-CD2 4.46Å; H560-Y562 HydrophobicContact CB-CE2 3.65Å; Y562-N564 PolarHBondContact O-ND2 3.3Å |
| 563 | Y | 89.3 | Confident | 80.9 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.8 | -179.3 | -175.1 | -97.3 | 0 | 0 | 0 | 111.6 | V532 F534 S541 L544 Q545 K565 | V532-Y563 HydrophobicContact CB-CD2 4.5Å; V532-Y563 HydrophobicContact CG1-CD2 4.18Å; F534-Y563 HydrophobicContact CB-CE2 3.88Å; F534-Y563 WeakPolarHBondContact CD1-OH 3.19Å; S541-Y563 WeakPolarHBondContact CA-OH 3.39Å; S541-Y563 WeakPolarHBondContact CB-OH 3.42Å; S541-Y563 PolarHBondContact OG-OH 2.96Å; L544-Y563 HydrophobicContact CB-CD2 4.33Å; L544-Y563 HydrophobicContact CB-CE2 3.69Å; Q545-Y563 HydrophobicContact CG-CD1 3.33Å; Q545-Y563 HydrophobicContact CG-CD2 4.11Å; Q545-Y563 HydrophobicContact CG-CE1 3.29Å; Q545-Y563 HydrophobicContact CG-CE2 4.12Å; Q545-Y563 HydrophobicContact CG-CG 3.73Å; Y563-K565 HydrophobicContact CE1-CB 3.79Å |
| 564 | N | 87.3 | Confident | 80.7 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 123.5 | 177.2 | -60.3 | -57.3 | 0 | 0 | 0 | 108.6 | R93 A392 V532 F533 F534 Y562 | R93-N564 VanDerWaalsContact CD-OD1 3.25Å; R93-N564 WeakPolarHBondContact CD-OD1 3.4Å; A392-N564 HydrophobicContact CB-CB 4.18Å; V532-N564 PolarHBondContact O-N 3.25Å; F533-N564 WeakPolarHBondContact CA-O 3.25Å; F533-N564 HydrophobicContact CD1-CB 3.64Å; F533-N564 HydrophobicContact CE1-CB 3.84Å; F533-N564 WeakPolarHBondContact CE1-ND2 3.23Å; F533-N564 HydrophobicContact CG-CB 4.4Å; F534-N564 PolarHBondContact N-O 2.04Å; Y562-N564 PolarHBondContact O-ND2 3.3Å |
| 565 | K | 83.3 | Confident | 80.8 | Confident | 72 Ų | 72 | 53.9 Ų | 53.9 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.5 | 179.6 | -172.4 | -172 | 172.4 | -161.9 | 0 | 110 | F534 Y563 S567 | F534-K565 HydrophobicContact CD1-CG 4.5Å; Y563-K565 HydrophobicContact CE1-CB 3.79Å; K565-S567 WeakPolarHBondContact CD-OG 3Å; K565-S567 WeakPolarHBondContact CE-OG 3.25Å; K565-S567 PolarHBondContact O-N 3.02Å |
| 566 | E | 77.1 | Confident | 81 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 123.1 | 161.3 | -60.3 | -49.9 | 142.5 | 0 | 0 | 109.1 | A392 L393 F534 C535 F568 | A392-E566 VanDerWaalsContact CA-OE1 3.3Å; A392-E566 WeakPolarHBondContact CA-OE1 3.47Å; A392-E566 WeakPolarHBondContact CB-OE1 3.12Å; A392-E566 PolarHBondContact N-OE1 3.21Å; A392-E566 PolarHBondContact N-OE2 2.68Å; L393-E566 WeakPolarHBondContact CA-OE1 3.44Å; L393-E566 WeakPolarHBondContact CB-OE1 3.04Å; L393-E566 PolarHBondContact N-OE1 3.25Å; F534-E566 PolarHBondContact O-N 2.85Å; C535-E566 HydrophobicContact CB-CB 3.84Å; C535-E566 HydrophobicContact CB-CG 4.33Å; E566-F568 HydrophobicContact CB-CE2 4.48Å; E566-F568 HydrophobicContact CB-CZ 4.49Å |
| 567 | S | 62.5 | Low | 81.5 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 50% | 0.503 | 23% | 0.226 | S | C | . | . | trans | -128.6 | 120.5 | 177.7 | -47.1 | 0 | 0 | 0 | 0 | 107.6 | K565 | K565-S567 WeakPolarHBondContact CD-OG 3Å; K565-S567 WeakPolarHBondContact CE-OG 3.25Å; K565-S567 PolarHBondContact O-N 3.02Å | ||
| 568 | F | 56.3 | Low | 81.7 | Confident | 122 Ų | 122 | 35.8 Ų | 35.8 | 54% | 0.535 | 18% | 0.182 | S | C | . | . | trans | -101.8 | 0 | 168.1 | -54 | -66.1 | 0 | 0 | 0 | 109 | Y322 T339 P413 E566 | Y322-F568 HydrophobicContact CD1-CD1 4.15Å; Y322-F568 AromaticContact CD1-CE1 3.98Å; Y322-F568 HydrophobicContact CD1-CE1 3.98Å; Y322-F568 HydrophobicContact CG-CD1 4.12Å; Y322-F568 HydrophobicContact CG-CE1 4.11Å; T339-F568 HydrophobicContact CG2-CE1 4.41Å; T339-F568 HydrophobicContact CG2-CZ 3.95Å; T339-F568 VanDerWaalsContact OG1-CE1 3.3Å; T339-F568 WeakPolarHBondContact OG1-CE1 3.15Å; T339-F568 VanDerWaalsContact OG1-CE2 3.27Å; T339-F568 WeakPolarHBondContact OG1-CE2 3.35Å; T339-F568 WeakPolarHBondContact OG1-CZ 3.42Å; P413-F568 HydrophobicContact CG-CE2 4.37Å; P413-F568 HydrophobicContact CG-CZ 4.41Å; E566-F568 HydrophobicContact CB-CE2 4.48Å; E566-F568 HydrophobicContact CB-CZ 4.49Å |
Retrieved 568 of 568 residues in 171.4 ms
(Link to these results)