| 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 | 51.7 | Low | 79.3 | Confident | 199 Ų | 199 | 101.5 Ų | 101.5 | 98% | 0.98 | 50% | 0.502 | S | S | * | . | 0 | -28.9 | 0 | -148.2 | 178.9 | -73.2 | 0 | 0 | 112.3 | |||||
| 2 | S | 65.2 | Low | 80.2 | Confident | 97 Ų | 97 | 103.7 Ų | 103.7 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -34.6 | 177.2 | 49 | 0 | 0 | 0 | 0 | 115 | R4 Y5 S6 | S2-R4 VanDerWaalsContact C-N 3.25Å; S2-R4 PolarHBondContact O-N 2.99Å; S2-Y5 PolarHBondContact O-N 2.99Å; S2-S6 PolarHBondContact O-N 3.32Å |
| 3 | E | 72.9 | Confident | 81.1 | Confident | 148 Ų | 148 | 97 Ų | 97 | 69% | 0.692 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.3 | -25 | -175 | -67.9 | -174.6 | 164.7 | 0 | 0 | 114.9 | Y5 S6 F7 | E3-Y5 VanDerWaalsContact C-N 3.26Å; E3-Y5 PolarHBondContact O-N 3.34Å; E3-S6 WeakPolarHBondContact CA-OG 3.38Å; E3-S6 PolarHBondContact O-N 3.45Å; E3-S6 PolarHBondContact O-OG 3.48Å; E3-F7 WeakPolarHBondContact O-CD2 3.43Å |
| 4 | R | 77.7 | Confident | 81.9 | Confident | 223 Ų | 223 | 98.4 Ų | 98.4 | 84% | 0.842 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.2 | -29.9 | 178.8 | -71.5 | -168.9 | -174.9 | -165.8 | 2.6 | 112.5 | S2 | S2-R4 VanDerWaalsContact C-N 3.25Å; S2-R4 PolarHBondContact O-N 2.99Å |
| 5 | Y | 83.9 | Confident | 82.6 | Confident | 63 Ų | 63 | 97.6 Ų | 97.6 | 25% | 0.247 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -89 | -22.8 | -179.3 | -56.1 | -83 | 0 | 0 | 0 | 112.2 | S2 E3 F7 S8 T11 F12 P14 | S2-Y5 PolarHBondContact O-N 2.99Å; E3-Y5 VanDerWaalsContact C-N 3.26Å; E3-Y5 PolarHBondContact O-N 3.34Å; Y5-F7 VanDerWaalsContact C-N 3.25Å; Y5-F7 PolarHBondContact O-N 3.11Å; Y5-S8 PolarHBondContact O-N 3.33Å; Y5-T11 HydrophobicContact CD1-CG2 3.7Å; Y5-T11 HydrophobicContact CE1-CG2 3.74Å; Y5-F12 WeakPolarHBondContact CD1-O 3.47Å; Y5-F12 WeakPolarHBondContact CE1-O 2.82Å; Y5-P14 HydrophobicContact CE2-CG 4.11Å |
| 6 | S | 83.3 | Confident | 83.1 | Confident | 15 Ų | 15 | 94.7 Ų | 94.7 | 11% | 0.105 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -65.9 | -27.3 | -174.2 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | S2 E3 Q20 | S2-S6 PolarHBondContact O-N 3.32Å; E3-S6 WeakPolarHBondContact CA-OG 3.38Å; E3-S6 PolarHBondContact O-N 3.45Å; E3-S6 PolarHBondContact O-OG 3.48Å; S6-Q20 PolarHBondContact O-NE2 3.3Å |
| 7 | F | 84.5 | Confident | 83.6 | Confident | 167 Ų | 167 | 94.6 Ų | 94.6 | 73% | 0.732 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -12.2 | 178.5 | -61.5 | -77 | 0 | 0 | 0 | 113.9 | E3 Y5 | E3-F7 WeakPolarHBondContact O-CD2 3.43Å; Y5-F7 VanDerWaalsContact C-N 3.25Å; Y5-F7 PolarHBondContact O-N 3.11Å |
| 8 | S | 87.6 | Confident | 84.1 | Confident | 25 Ų | 25 | 91.1 Ų | 91.1 | 18% | 0.175 | 48% | 0.481 | C | S | . | . | trans | -81.7 | 135.4 | -179.1 | -172.4 | 0 | 0 | 0 | 0 | 111 | Y5 T10 T11 | Y5-S8 PolarHBondContact O-N 3.33Å; S8-T10 PolarHBondContact OG-N 3.21Å; S8-T11 WeakPolarHBondContact OG-CB 3.2Å; S8-T11 PolarHBondContact OG-N 3.1Å; S8-T11 PolarHBondContact OG-OG1 3.09Å | ||
| 9 | L | 87.2 | Confident | 84.6 | Confident | 26 Ų | 26 | 87.7 Ų | 87.7 | 14% | 0.136 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -84.2 | -31.5 | 173.8 | -65.5 | 174.4 | 0 | 0 | 0 | 112.3 | L18 Q20 T121 S123 V126 P128 | L9-L18 WeakPolarHBondContact O-CD2 3.22Å; L9-Q20 HydrophobicContact CD2-CB 3.76Å; L9-Q20 HydrophobicContact CD2-CG 3.85Å; L9-T121 CarbonylContact C-O 3.52Å; L9-T121 WeakPolarHBondContact CB-O 3.39Å; L9-S123 VanDerWaalsContact CD1-O 3.26Å; L9-S123 WeakPolarHBondContact CD1-O 3.35Å; L9-V126 WeakPolarHBondContact CD1-O 3.04Å; L9-P128 HydrophobicContact CD2-CG 3.99Å |
| 10 | T | 88.1 | Confident | 85.1 | Confident | 89 Ų | 89 | 85.4 Ų | 85.4 | 55% | 0.546 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -112.1 | -6.4 | -170.1 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | S8 Q122 | S8-T10 PolarHBondContact OG-N 3.21Å; T10-Q122 HydrophobicContact CG2-CB 3.94Å |
| 11 | T | 90.4 | Very high | 85.6 | Confident | 64 Ų | 64 | 82.3 Ų | 82.3 | 39% | 0.393 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 117 | -179.5 | -45.8 | 0 | 0 | 0 | 0 | 110.8 | Y5 S8 | Y5-T11 HydrophobicContact CD1-CG2 3.7Å; Y5-T11 HydrophobicContact CE1-CG2 3.74Å; S8-T11 WeakPolarHBondContact OG-CB 3.2Å; S8-T11 PolarHBondContact OG-N 3.1Å; S8-T11 PolarHBondContact OG-OG1 3.09Å |
| 12 | F | 90.2 | Very high | 87.7 | Confident | 128 Ų | 128 | 76.2 Ų | 76.2 | 56% | 0.561 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 138.2 | 172.3 | -67.6 | -76.2 | 0 | 0 | 0 | 111.9 | Y5 G16 K17 L18 | Y5-F12 WeakPolarHBondContact CD1-O 3.47Å; Y5-F12 WeakPolarHBondContact CE1-O 2.82Å; F12-G16 WeakPolarHBondContact CD1-O 3.41Å; F12-K17 WeakPolarHBondContact CA-O 3.33Å; F12-L18 HydrophobicContact CD1-CD2 3.85Å; F12-L18 HydrophobicContact CD1-CG 4.05Å; F12-L18 HydrophobicContact CE1-CD1 4.43Å; F12-L18 HydrophobicContact CE1-CD2 3.97Å; F12-L18 HydrophobicContact CE1-CG 3.83Å; F12-L18 HydrophobicContact CG-CD2 4.23Å; F12-L18 HydrophobicContact CZ-CD2 4.42Å; F12-L18 HydrophobicContact CZ-CG 4.47Å |
| 13 | S | 91.2 | Very high | 89.1 | Confident | 17 Ų | 17 | 77.5 Ų | 77.5 | 12% | 0.119 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 166 | 165.8 | 72.9 | 0 | 0 | 0 | 0 | 111 | S15 G16 K17 | S13-S15 PolarHBondContact O-N 3Å; S13-S15 PolarHBondContact OG-N 3.4Å; S13-S15 PolarHBondContact OG-OG 3.11Å; S13-G16 PolarHBondContact O-N 3.14Å; S13-K17 PolarHBondContact N-O 3.22Å; S13-K17 PolarHBondContact OG-N 3.47Å; S13-K17 PolarHBondContact OG-O 3.35Å |
| 14 | P | 92.4 | Very high | 90.3 | Very high | 116 Ų | 116 | 70.9 Ų | 70.9 | 75% | 0.753 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -18.9 | 172.4 | -27 | 36.1 | 0 | 0 | 0 | 114.5 | Y5 | Y5-P14 HydrophobicContact CE2-CG 4.11Š|
| 15 | S | 92.1 | Very high | 91.3 | Very high | 87 Ų | 87 | 62.7 Ų | 62.7 | 61% | 0.608 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 8.8 | 174.8 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | S13 | S13-S15 PolarHBondContact O-N 3Å; S13-S15 PolarHBondContact OG-N 3.4Å; S13-S15 PolarHBondContact OG-OG 3.11Å |
| 16 | G | 91.7 | Very high | 91.9 | Very high | 51 Ų | 51 | 65.4 Ų | 65.4 | 53% | 0.526 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 75.6 | 21.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F12 S13 | F12-G16 WeakPolarHBondContact CD1-O 3.41Å; S13-G16 PolarHBondContact O-N 3.14Å |
| 17 | K | 90.9 | Very high | 92.6 | Very high | 94 Ų | 94 | 66 Ų | 66 | 41% | 0.409 | 36% | 0.356 | S | S | . | . | trans | -109.4 | 148.1 | -176.5 | -66.3 | -174.8 | 163.8 | -151.8 | 0 | 113 | F12 S13 E22 | F12-K17 WeakPolarHBondContact CA-O 3.33Å; S13-K17 PolarHBondContact N-O 3.22Å; S13-K17 PolarHBondContact OG-N 3.47Å; S13-K17 PolarHBondContact OG-O 3.35Å; K17-E22 HydrophobicContact CD-CG 4.28Å; K17-E22 IonicContact NZ-OE1 3.3Å; K17-E22 PolarHBondContact NZ-OE1 3.14Å; K17-E22 IonicContact NZ-OE2 2.88Å; K17-E22 PolarHBondContact NZ-OE2 3Å | ||
| 18 | L | 92.5 | Very high | 93.3 | Very high | 30 Ų | 30 | 58.4 Ų | 58.4 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | trans | -91.2 | 103.8 | 164.4 | -64.3 | -179.1 | 0 | 0 | 0 | 109.2 | L9 F12 Q20 I21 E22 | L9-L18 WeakPolarHBondContact O-CD2 3.22Å; F12-L18 HydrophobicContact CD1-CD2 3.85Å; F12-L18 HydrophobicContact CD1-CG 4.05Å; F12-L18 HydrophobicContact CE1-CD1 4.43Å; F12-L18 HydrophobicContact CE1-CD2 3.97Å; F12-L18 HydrophobicContact CE1-CG 3.83Å; F12-L18 HydrophobicContact CG-CD2 4.23Å; F12-L18 HydrophobicContact CZ-CD2 4.42Å; F12-L18 HydrophobicContact CZ-CG 4.47Å; L18-Q20 VanDerWaalsContact C-N 3.29Å; L18-Q20 PolarHBondContact O-N 2.95Å; L18-I21 HydrophobicContact CB-CB 4.42Å; L18-I21 HydrophobicContact CB-CD1 3.83Å; L18-I21 HydrophobicContact CB-CG1 4Å; L18-I21 HydrophobicContact CD1-CD1 3.68Å; L18-I21 HydrophobicContact CG-CD1 4.36Å; L18-I21 WeakPolarHBondContact O-CB 3.4Å; L18-I21 PolarHBondContact O-N 2.84Å; L18-E22 PolarHBondContact O-N 3.49Å | ||
| 19 | V | 93.9 | Very high | 93.8 | Very high | 27 Ų | 27 | 61.7 Ų | 61.7 | 16% | 0.164 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.7 | -33.8 | -168.2 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | I21 E22 Y23 | V19-I21 VanDerWaalsContact C-N 3.26Å; V19-I21 PolarHBondContact O-N 3.34Å; V19-E22 WeakPolarHBondContact O-CB 3.43Å; V19-E22 PolarHBondContact O-N 3.15Å; V19-E22 VanDerWaalsContact O-N 3.13Å; V19-Y23 HydrophobicContact CG1-CD2 4.25Å; V19-Y23 HydrophobicContact CG1-CE1 3.95Å; V19-Y23 HydrophobicContact CG1-CE2 3.6Å; V19-Y23 VanDerWaalsContact CG1-CZ 3.42Å; V19-Y23 PolarHBondContact O-N 3.46Å |
| 20 | Q | 94.6 | Very high | 94.2 | Very high | 42 Ų | 42 | 63.5 Ų | 63.5 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.7 | -30.6 | 176.6 | -75.5 | -68.8 | -37.3 | 0 | 0 | 113.1 | S6 L9 L18 Y23 A24 P128 | S6-Q20 PolarHBondContact O-NE2 3.3Å; L9-Q20 HydrophobicContact CD2-CB 3.76Å; L9-Q20 HydrophobicContact CD2-CG 3.85Å; L18-Q20 VanDerWaalsContact C-N 3.29Å; L18-Q20 PolarHBondContact O-N 2.95Å; Q20-Y23 PolarHBondContact O-N 2.88Å; Q20-A24 PolarHBondContact O-N 3.13Å; Q20-P128 HydrophobicContact CB-CG 4.1Å |
| 21 | I | 95.7 | Very high | 94.6 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71 | -39.9 | 173.9 | -59.7 | -178.3 | 0 | 0 | 0 | 110.1 | L18 V19 Y23 A24 L25 T121 P128 P152 | L18-I21 HydrophobicContact CB-CB 4.42Å; L18-I21 HydrophobicContact CB-CD1 3.83Å; L18-I21 HydrophobicContact CB-CG1 4Å; L18-I21 HydrophobicContact CD1-CD1 3.68Å; L18-I21 HydrophobicContact CG-CD1 4.36Å; L18-I21 WeakPolarHBondContact O-CB 3.4Å; L18-I21 PolarHBondContact O-N 2.84Å; V19-I21 VanDerWaalsContact C-N 3.26Å; V19-I21 PolarHBondContact O-N 3.34Å; I21-Y23 VanDerWaalsContact C-N 3.31Å; I21-Y23 PolarHBondContact O-N 3.23Å; I21-A24 WeakPolarHBondContact O-CB 3.34Å; I21-A24 PolarHBondContact O-N 3.4Å; I21-L25 HydrophobicContact CG2-CD1 4.35Å; I21-L25 PolarHBondContact O-N 2.88Å; I21-T121 HydrophobicContact CD1-CG2 3.9Å; I21-T121 HydrophobicContact CG1-CG2 4.17Å; I21-P128 HydrophobicContact CG1-CG 4.42Å; I21-P152 HydrophobicContact CG2-CB 4.46Å |
| 22 | E | 95.5 | Very high | 94.8 | Very high | 71 Ų | 71 | 57.6 Ų | 57.6 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 175.6 | -56.2 | -80.7 | 145.3 | 0 | 0 | 111.1 | K17 L18 V19 L25 K26 | K17-E22 HydrophobicContact CD-CG 4.28Å; K17-E22 IonicContact NZ-OE1 3.3Å; K17-E22 PolarHBondContact NZ-OE1 3.14Å; K17-E22 IonicContact NZ-OE2 2.88Å; K17-E22 PolarHBondContact NZ-OE2 3Å; L18-E22 PolarHBondContact O-N 3.49Å; V19-E22 WeakPolarHBondContact O-CB 3.43Å; V19-E22 PolarHBondContact O-N 3.15Å; V19-E22 VanDerWaalsContact O-N 3.13Å; E22-L25 PolarHBondContact O-N 3.5Å; E22-K26 WeakPolarHBondContact O-CG 3.36Å; E22-K26 PolarHBondContact O-N 2.66Å |
| 23 | Y | 95.8 | Very high | 95.2 | Very high | 124 Ų | 124 | 52 Ų | 52 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 173.9 | -63 | -29.8 | 0 | 0 | 0 | 112.8 | V19 Q20 I21 L25 K26 A27 | V19-Y23 HydrophobicContact CG1-CD2 4.25Å; V19-Y23 HydrophobicContact CG1-CE1 3.95Å; V19-Y23 HydrophobicContact CG1-CE2 3.6Å; V19-Y23 VanDerWaalsContact CG1-CZ 3.42Å; V19-Y23 PolarHBondContact O-N 3.46Å; Q20-Y23 PolarHBondContact O-N 2.88Å; I21-Y23 VanDerWaalsContact C-N 3.31Å; I21-Y23 PolarHBondContact O-N 3.23Å; Y23-L25 VanDerWaalsContact C-N 3.34Å; Y23-K26 WeakPolarHBondContact O-CB 3.34Å; Y23-K26 PolarHBondContact O-N 3.46Å; Y23-A27 PolarHBondContact O-N 3.35Å; Y23-A27 VanDerWaalsContact O-N 3.11Å |
| 24 | A | 97.8 | Very high | 95.5 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q20 I21 K26 A27 V28 P128 P152 | Q20-A24 PolarHBondContact O-N 3.13Å; I21-A24 WeakPolarHBondContact O-CB 3.34Å; I21-A24 PolarHBondContact O-N 3.4Å; A24-K26 VanDerWaalsContact C-N 3.31Å; A24-K26 PolarHBondContact O-N 3.45Å; A24-A27 WeakPolarHBondContact O-CB 3.49Å; A24-A27 PolarHBondContact O-N 3.26Å; A24-A27 VanDerWaalsContact O-N 3.07Å; A24-V28 WeakPolarHBondContact O-CG2 3.2Å; A24-V28 PolarHBondContact O-N 3.23Å; A24-V28 VanDerWaalsContact O-N 3.07Å; A24-P128 HydrophobicContact CB-CB 4.11Å; A24-P152 HydrophobicContact CB-CB 3.66Å; A24-P152 HydrophobicContact CB-CG 3.87Å |
| 25 | L | 97.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 45.9 Ų | 45.9 | 27% | 0.272 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63 | -34.2 | 174.2 | -74.3 | 169.1 | 0 | 0 | 0 | 112.5 | I21 E22 Y23 A27 V28 E29 P152 | I21-L25 HydrophobicContact CG2-CD1 4.35Å; I21-L25 PolarHBondContact O-N 2.88Å; E22-L25 PolarHBondContact O-N 3.5Å; Y23-L25 VanDerWaalsContact C-N 3.34Å; L25-A27 VanDerWaalsContact C-N 3.32Å; L25-A27 PolarHBondContact O-N 3.37Å; L25-V28 WeakPolarHBondContact O-CA 3.31Å; L25-V28 WeakPolarHBondContact O-CB 3.4Å; L25-V28 PolarHBondContact O-N 2.84Å; L25-V28 VanDerWaalsContact O-N 3.13Å; L25-E29 WeakPolarHBondContact O-CG 3.46Å; L25-E29 PolarHBondContact O-N 3.1Å; L25-P152 HydrophobicContact CD2-CG 4.13Å; L25-P152 HydrophobicContact CG-CG 4.33Å |
| 26 | K | 97.7 | Very high | 96.1 | Very high | 119 Ų | 119 | 41.7 Ų | 41.7 | 52% | 0.517 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.2 | -35.1 | 171 | -68.8 | -60.6 | 173.2 | -161.7 | 0 | 113.1 | E22 Y23 A24 V28 E29 A30 | E22-K26 WeakPolarHBondContact O-CG 3.36Å; E22-K26 PolarHBondContact O-N 2.66Å; Y23-K26 WeakPolarHBondContact O-CB 3.34Å; Y23-K26 PolarHBondContact O-N 3.46Å; A24-K26 VanDerWaalsContact C-N 3.31Å; A24-K26 PolarHBondContact O-N 3.45Å; K26-V28 VanDerWaalsContact C-N 3.32Å; K26-E29 VanDerWaalsContact CD-OE2 3.29Å; K26-E29 WeakPolarHBondContact CD-OE2 3.15Å; K26-E29 IonicContact NZ-OE1 2.75Å; K26-E29 PolarHBondContact NZ-OE1 2.61Å; K26-E29 IonicContact NZ-OE2 3.36Å; K26-E29 PolarHBondContact NZ-OE2 3.07Å; K26-E29 PolarHBondContact O-N 3.09Å; K26-A30 PolarHBondContact O-N 3.13Å; K26-A30 VanDerWaalsContact O-N 3.12Å |
| 27 | A | 97.7 | Very high | 96.5 | Very high | 27 Ų | 27 | 39.4 Ų | 39.4 | 22% | 0.223 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66 | -36.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y23 A24 L25 A30 G31 L78 | Y23-A27 PolarHBondContact O-N 3.35Å; Y23-A27 VanDerWaalsContact O-N 3.11Å; A24-A27 WeakPolarHBondContact O-CB 3.49Å; A24-A27 PolarHBondContact O-N 3.26Å; A24-A27 VanDerWaalsContact O-N 3.07Å; L25-A27 VanDerWaalsContact C-N 3.32Å; L25-A27 PolarHBondContact O-N 3.37Å; A27-A30 PolarHBondContact O-N 3.35Å; A27-G31 PolarHBondContact O-N 3.02Å; A27-L78 HydrophobicContact CB-CG 4.34Å |
| 28 | V | 98.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 5% | 0.048 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -52 | 172.8 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | A24 L25 K26 A30 G31 V131 S132 P152 G165 | A24-V28 WeakPolarHBondContact O-CG2 3.2Å; A24-V28 PolarHBondContact O-N 3.23Å; A24-V28 VanDerWaalsContact O-N 3.07Å; L25-V28 WeakPolarHBondContact O-CA 3.31Å; L25-V28 WeakPolarHBondContact O-CB 3.4Å; L25-V28 PolarHBondContact O-N 2.84Å; L25-V28 VanDerWaalsContact O-N 3.13Å; K26-V28 VanDerWaalsContact C-N 3.32Å; V28-A30 PolarHBondContact O-N 3.41Å; V28-G31 PolarHBondContact O-N 3.18Å; V28-V131 VanDerWaalsContact CG2-C 3.44Å; V28-S132 VanDerWaalsContact CG2-N 3.27Å; V28-P152 HydrophobicContact CG2-CG 4.12Å; V28-G165 WeakPolarHBondContact O-CA 3.17Å |
| 29 | E | 97.6 | Very high | 97.1 | Very high | 94 Ų | 94 | 35.7 Ų | 35.7 | 44% | 0.439 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.4 | -33.3 | 179.5 | -72.2 | 174.4 | -165.1 | 0 | 0 | 112.7 | L25 K26 G31 G165 Q166 | L25-E29 WeakPolarHBondContact O-CG 3.46Å; L25-E29 PolarHBondContact O-N 3.1Å; K26-E29 VanDerWaalsContact CD-OE2 3.29Å; K26-E29 WeakPolarHBondContact CD-OE2 3.15Å; K26-E29 IonicContact NZ-OE1 2.75Å; K26-E29 PolarHBondContact NZ-OE1 2.61Å; K26-E29 IonicContact NZ-OE2 3.36Å; K26-E29 PolarHBondContact NZ-OE2 3.07Å; K26-E29 PolarHBondContact O-N 3.09Å; E29-G31 VanDerWaalsContact C-N 3.33Å; E29-G165 CarbonylContact O-C 3.57Å; E29-Q166 VanDerWaalsContact O-CA 3.28Å; E29-Q166 WeakPolarHBondContact O-CA 3.43Å; E29-Q166 WeakPolarHBondContact O-CG 3.23Å; E29-Q166 PolarHBondContact O-N 2.75Å; E29-Q166 VanDerWaalsContact O-N 3.1Å |
| 30 | A | 96.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 36.9 Ų | 36.9 | 54% | 0.537 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -80.3 | -12.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | K26 A27 V28 Q166 | K26-A30 PolarHBondContact O-N 3.13Å; K26-A30 VanDerWaalsContact O-N 3.12Å; A27-A30 PolarHBondContact O-N 3.35Å; V28-A30 PolarHBondContact O-N 3.41Å; A30-Q166 PolarHBondContact O-NE2 3.26Å |
| 31 | G | 96.3 | Very high | 97.4 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 8% | 0.082 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -75 | 156.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A27 V28 E29 G165 Q166 | A27-G31 PolarHBondContact O-N 3.02Å; V28-G31 PolarHBondContact O-N 3.18Å; E29-G31 VanDerWaalsContact C-N 3.33Å; G31-G165 CarbonylContact O-C 3.55Å; G31-G165 VanDerWaalsContact O-CA 3.31Å; G31-G165 WeakPolarHBondContact O-CA 3.11Å; G31-Q166 WeakPolarHBondContact O-CG 3.31Å; G31-Q166 PolarHBondContact O-N 2.84Å |
| 32 | A | 95.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 17% | 0.174 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 139.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | V48 K63 S76 | A32-V48 HydrophobicContact CB-CB 4.47Å; A32-V48 WeakPolarHBondContact CB-O 3.3Å; A32-K63 PolarHBondContact O-NZ 2.88Å; A32-S76 PolarHBondContact O-OG 3.38Å; A32-S76 VanDerWaalsContact O-OG 3.06Å |
| 33 | P | 97.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 7% | 0.065 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -54.4 | 144.4 | -175.9 | -27.5 | 34.3 | 0 | 0 | 0 | 114.2 | V48 K63 L164 Q166 L196 | P33-V48 HydrophobicContact CB-CG2 4.19Å; P33-V48 HydrophobicContact CG-CG2 4.34Å; P33-V48 PolarHBondContact O-N 3.11Å; P33-K63 PolarHBondContact O-NZ 3.38Å; P33-L164 WeakPolarHBondContact CA-O 3.15Å; P33-Q166 HydrophobicContact CG-CB 4.26Å; P33-L196 HydrophobicContact CB-CD2 4Å |
| 34 | S | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 141.5 | 170.5 | -44 | 0 | 0 | 0 | 0 | 109.5 | A46 K63 Y75 S76 A163 L164 | S34-A46 CarbonylContact C-O 3.58Å; S34-A46 WeakPolarHBondContact CA-O 3.33Å; S34-K63 PolarHBondContact OG-NZ 2.99Å; S34-Y75 PolarHBondContact OG-O 3.29Å; S34-S76 WeakPolarHBondContact CB-OG 3.23Å; S34-S76 PolarHBondContact OG-OG 2.78Å; S34-A163 CarbonylContact O-C 3.58Å; S34-A163 WeakPolarHBondContact O-CA 3.3Å; S34-L164 PolarHBondContact N-O 3.12Å; S34-L164 PolarHBondContact O-N 3.17Å |
| 35 | V | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143.3 | -177.1 | 174.3 | 0 | 0 | 0 | 0 | 108.7 | I37 L45 A46 A163 L175 A192 T195 L196 | V35-I37 HydrophobicContact CG1-CD1 4.45Å; V35-I37 HydrophobicContact CG1-CG1 4.1Å; V35-L45 CarbonylContact O-C 3.58Å; V35-L45 WeakPolarHBondContact O-CA 3.05Å; V35-A46 PolarHBondContact N-O 3.15Å; V35-A46 PolarHBondContact O-N 3.31Å; V35-A163 HydrophobicContact CG2-CB 4.06Å; V35-L175 HydrophobicContact CG1-CD1 4.17Å; V35-L175 HydrophobicContact CG1-CD2 4.23Å; V35-A192 HydrophobicContact CG1-CB 3.99Å; V35-T195 HydrophobicContact CG1-CG2 4.36Å; V35-T195 HydrophobicContact CG2-CG2 3.68Å; V35-L196 HydrophobicContact CB-CD2 4.27Å; V35-L196 HydrophobicContact CG2-CD2 3.59Å; V35-L196 HydrophobicContact CG2-CG 4.28Å |
| 36 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111 | V44 L147 A161 T162 | G36-V44 VanDerWaalsContact CA-O 3.25Å; G36-V44 WeakPolarHBondContact CA-O 3.49Å; G36-L147 WeakPolarHBondContact O-CD2 2.92Å; G36-A161 CarbonylContact O-C 3.58Å; G36-A161 VanDerWaalsContact O-CA 3.23Å; G36-A161 WeakPolarHBondContact O-CA 3.4Å; G36-T162 PolarHBondContact N-O 2.96Å; G36-T162 PolarHBondContact O-N 3.11Å |
| 37 | I | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 126.7 | 177.2 | -51.3 | -176.5 | 0 | 0 | 0 | 109.1 | V35 V43 V44 A161 L175 Y179 L183 A188 A191 A192 | V35-I37 HydrophobicContact CG1-CD1 4.45Å; V35-I37 HydrophobicContact CG1-CG1 4.1Å; I37-V43 WeakPolarHBondContact O-CA 3.36Å; I37-V43 WeakPolarHBondContact O-CG2 3.21Å; I37-V44 HydrophobicContact CB-CG1 3.86Å; I37-V44 HydrophobicContact CG1-CG1 4.42Å; I37-V44 PolarHBondContact N-O 3.4Å; I37-V44 PolarHBondContact O-N 2.97Å; I37-A161 HydrophobicContact CB-CB 4.41Å; I37-A161 HydrophobicContact CG1-CB 4.14Å; I37-A161 HydrophobicContact CG2-CB 4.23Å; I37-L175 HydrophobicContact CD1-CD2 3.38Å; I37-L175 HydrophobicContact CG1-CD2 3.84Å; I37-Y179 HydrophobicContact CG2-CD2 4.08Å; I37-Y179 HydrophobicContact CG2-CE2 4.33Å; I37-L183 HydrophobicContact CG2-CD2 3.9Å; I37-A188 HydrophobicContact CB-CB 4.28Å; I37-A188 WeakPolarHBondContact CD1-O 3.41Å; I37-A188 HydrophobicContact CG2-CB 3.93Å; I37-A191 HydrophobicContact CD1-CB 3.88Å; I37-A192 HydrophobicContact CD1-CB 3.87Å; I37-A192 HydrophobicContact CG1-CB 4.25Å |
| 38 | R | 98.5 | Very high | 97.9 | Very high | 41 Ų | 41 | 18.4 Ų | 18.4 | 16% | 0.155 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 108.3 | 171.8 | -175.7 | -170.2 | 69.8 | 173.1 | 4.6 | 109.1 | P145 L147 K160 Y179 | R38-P145 VanDerWaalsContact CD-O 3.23Å; R38-P145 WeakPolarHBondContact CD-O 3.46Å; R38-P145 HydrophobicContact CG-CB 4.13Å; R38-P145 HydrophobicContact CG-CG 3.83Å; R38-L147 HydrophobicContact CB-CB 4.23Å; R38-K160 WeakPolarHBondContact CB-O 3.41Å; R38-K160 PolarHBondContact N-O 3.25Å; R38-Y179 WeakPolarHBondContact O-CE2 3.45Å |
| 39 | A | 98.2 | Very high | 97.7 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | trans | -79.7 | 175.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | G42 P145 L183 L185 A188 | A39-G42 CarbonylContact C-O 3.55Å; A39-G42 WeakPolarHBondContact CA-O 3.49Å; A39-G42 WeakPolarHBondContact CB-O 3.29Å; A39-G42 PolarHBondContact N-O 3.32Å; A39-G42 VanDerWaalsContact O-O 3.11Å; A39-P145 WeakPolarHBondContact O-CG 3.5Å; A39-L183 CarbonylContact C-O 3.56Å; A39-L183 WeakPolarHBondContact CA-O 3.43Å; A39-L183 WeakPolarHBondContact CB-O 3.29Å; A39-L185 HydrophobicContact CB-CB 4.38Å; A39-A188 HydrophobicContact CB-CB 3.85Å | ||
| 40 | A | 97.3 | Very high | 97.3 | Very high | 52 Ų | 52 | 21.4 Ų | 21.4 | 43% | 0.43 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -66.3 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L183 | A40-L183 PolarHBondContact N-O 3.49Š|
| 41 | N | 97.5 | Very high | 97 | Very high | 62 Ų | 62 | 20.7 Ų | 20.7 | 33% | 0.332 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -104.4 | 6 | -176.4 | 64.7 | -19.4 | 0 | 0 | 0 | 114.4 | E184 L185 N215 | N41-E184 PolarHBondContact ND2-OE2 2.71Å; N41-E184 PolarHBondContact OD1-OE2 3.02Å; N41-L185 VanDerWaalsContact OD1-CB 3.31Å; N41-L185 WeakPolarHBondContact OD1-CB 3.48Å; N41-L185 PolarHBondContact OD1-N 3.13Å; N41-N215 WeakPolarHBondContact O-CB 3.37Å |
| 42 | G | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -178.4 | -172.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A39 P145 C214 | A39-G42 CarbonylContact C-O 3.55Å; A39-G42 WeakPolarHBondContact CA-O 3.49Å; A39-G42 WeakPolarHBondContact CB-O 3.29Å; A39-G42 PolarHBondContact N-O 3.32Å; A39-G42 VanDerWaalsContact O-O 3.11Å; G42-P145 VanDerWaalsContact O-CB 3.29Å; G42-P145 WeakPolarHBondContact O-CB 3.45Å; G42-P145 VanDerWaalsContact O-CG 3.31Å; G42-P145 WeakPolarHBondContact O-CG 3.45Å; G42-C214 CarbonylContact C-O 3.51Å; G42-C214 WeakPolarHBondContact CA-O 3.39Å | ||
| 43 | V | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 138.3 | 174.1 | 51.2 | 0 | 0 | 0 | 0 | 109.1 | I37 A136 P145 L147 V213 C214 | I37-V43 WeakPolarHBondContact O-CA 3.36Å; I37-V43 WeakPolarHBondContact O-CG2 3.21Å; V43-A136 HydrophobicContact CB-CB 4.35Å; V43-A136 HydrophobicContact CG1-CB 3.71Å; V43-A136 HydrophobicContact CG2-CB 3.66Å; V43-P145 HydrophobicContact CB-CB 4.19Å; V43-P145 HydrophobicContact CG1-CB 4.19Å; V43-L147 HydrophobicContact CG2-CB 3.95Å; V43-L147 HydrophobicContact CG2-CD1 4.08Å; V43-V213 CarbonylContact O-C 3.42Å; V43-V213 WeakPolarHBondContact O-CA 3.39Å; V43-C214 HydrophobicContact CG1-CB 3.54Å; V43-C214 PolarHBondContact N-O 3.26Å; V43-C214 PolarHBondContact O-N 3.27Å |
| 44 | V | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 144.2 | 176.2 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | G36 I37 L185 A188 T189 A192 V211 G212 V213 | G36-V44 VanDerWaalsContact CA-O 3.25Å; G36-V44 WeakPolarHBondContact CA-O 3.49Å; I37-V44 HydrophobicContact CB-CG1 3.86Å; I37-V44 HydrophobicContact CG1-CG1 4.42Å; I37-V44 PolarHBondContact N-O 3.4Å; I37-V44 PolarHBondContact O-N 2.97Å; V44-L185 HydrophobicContact CB-CD1 4.22Å; V44-A188 HydrophobicContact CG1-CB 4.03Å; V44-T189 HydrophobicContact CG2-CG2 4.15Å; V44-A192 HydrophobicContact CG1-CB 4.01Å; V44-A192 HydrophobicContact CG2-CB 4.48Å; V44-V211 HydrophobicContact CG2-CG1 3.79Å; V44-G212 CarbonylContact C-O 3.59Å; V44-G212 WeakPolarHBondContact CA-O 3.43Å; V44-V213 HydrophobicContact CB-CG1 4.28Å; V44-V213 HydrophobicContact CG2-CG1 3.99Å |
| 45 | L | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.7 | 166.7 | -62.5 | 178 | 0 | 0 | 0 | 108.1 | V35 I64 V74 L134 A136 L147 V211 G212 F219 | V35-L45 CarbonylContact O-C 3.58Å; V35-L45 WeakPolarHBondContact O-CA 3.05Å; L45-I64 HydrophobicContact CB-CD1 4.02Å; L45-I64 HydrophobicContact CD1-CG2 4.48Å; L45-I64 WeakPolarHBondContact O-CD1 3.31Å; L45-V74 HydrophobicContact CB-CG1 4.13Å; L45-V74 HydrophobicContact CD1-CB 4.16Å; L45-V74 HydrophobicContact CD1-CG1 3.82Å; L45-V74 HydrophobicContact CD2-CG1 3.76Å; L45-V74 HydrophobicContact CG-CG1 4.11Å; L45-L134 HydrophobicContact CD2-CB 3.81Å; L45-L134 HydrophobicContact CD2-CD1 4.22Å; L45-A136 HydrophobicContact CD1-CB 3.56Å; L45-A136 HydrophobicContact CD2-CB 3.88Å; L45-A136 HydrophobicContact CG-CB 3.56Å; L45-L147 HydrophobicContact CD2-CD1 3.84Å; L45-V211 CarbonylContact O-C 3.57Å; L45-V211 WeakPolarHBondContact O-CA 3.35Å; L45-G212 PolarHBondContact N-O 3.27Å; L45-G212 PolarHBondContact O-N 2.78Å; L45-F219 HydrophobicContact CD1-CE2 4.27Å |
| 46 | A | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | S34 V35 A192 L196 E210 V211 | S34-A46 CarbonylContact C-O 3.58Å; S34-A46 WeakPolarHBondContact CA-O 3.33Å; V35-A46 PolarHBondContact N-O 3.15Å; V35-A46 PolarHBondContact O-N 3.31Å; A46-A192 HydrophobicContact CB-CB 3.97Å; A46-L196 HydrophobicContact CB-CD1 3.66Å; A46-L196 HydrophobicContact CB-CG 4.25Å; A46-E210 CarbonylContact C-O 3.55Å; A46-E210 WeakPolarHBondContact CA-O 3.48Å; A46-V211 HydrophobicContact CB-CG2 4.28Å |
| 47 | A | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 145 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K63 I64 V74 I209 E210 | A47-K63 HydrophobicContact CB-CB 3.87Å; A47-K63 HydrophobicContact CB-CD 3.96Å; A47-I64 HydrophobicContact CB-CD1 4.36Å; A47-I64 HydrophobicContact CB-CG1 4.2Å; A47-V74 HydrophobicContact CB-CG2 3.7Å; A47-I209 CarbonylContact O-C 3.59Å; A47-I209 VanDerWaalsContact O-CA 3.23Å; A47-I209 WeakPolarHBondContact O-CA 3.46Å; A47-E210 PolarHBondContact N-O 3.15Å; A47-E210 PolarHBondContact O-N 3.26Å |
| 48 | V | 96.7 | Very high | 94.7 | Very high | 15 Ų | 15 | 55.4 Ų | 55.4 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 124.5 | 170.4 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | A32 P33 K63 L196 F200 I209 | A32-V48 HydrophobicContact CB-CB 4.47Å; A32-V48 WeakPolarHBondContact CB-O 3.3Å; P33-V48 HydrophobicContact CB-CG2 4.19Å; P33-V48 HydrophobicContact CG-CG2 4.34Å; P33-V48 PolarHBondContact O-N 3.11Å; V48-K63 WeakPolarHBondContact O-CD 3.5Å; V48-L196 HydrophobicContact CG2-CB 4.45Å; V48-L196 HydrophobicContact CG2-CD1 4.31Å; V48-L196 HydrophobicContact CG2-CD2 4.21Å; V48-F200 HydrophobicContact CB-CE2 4.38Å; V48-F200 HydrophobicContact CG1-CD2 4.22Å; V48-F200 HydrophobicContact CG1-CE2 3.71Å; V48-F200 HydrophobicContact CG2-CD2 3.69Å; V48-F200 HydrophobicContact CG2-CE2 3.88Å; V48-I209 HydrophobicContact CG2-CG2 4.43Å |
| 49 | K | 95.3 | Very high | 94.3 | Very high | 27 Ų | 27 | 58.1 Ų | 58.1 | 12% | 0.117 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 121 | 167.4 | -67.7 | -173.5 | -75.9 | 168.9 | 0 | 109.2 | F51 V61 S207 N208 I209 E210 | K49-F51 HydrophobicContact CB-CE1 4.32Å; K49-F51 HydrophobicContact CB-CZ 4.02Å; K49-V61 HydrophobicContact CB-CG1 4.23Å; K49-V61 HydrophobicContact CD-CG1 4.37Å; K49-V61 WeakPolarHBondContact CD-O 3.37Å; K49-V61 HydrophobicContact CG-CG1 4.32Å; K49-S207 WeakPolarHBondContact CE-O 3.48Å; K49-S207 PolarHBondContact NZ-O 3.33Å; K49-N208 PolarHBondContact N-O 3.49Å; K49-I209 WeakPolarHBondContact CE-O 3.49Å; K49-E210 HydrophobicContact CD-CB 4.3Å; K49-E210 HydrophobicContact CG-CB 4.38Å |
| 50 | K | 88.8 | Confident | 93.9 | Very high | 137 Ų | 137 | 62.4 Ų | 62.4 | 60% | 0.596 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -97.9 | 118 | -179.5 | -174.2 | 170.8 | -176.5 | 168 | 0 | 110.4 | ||
| 51 | F | 89.4 | Confident | 93.7 | Very high | 50 Ų | 50 | 61.5 Ų | 61.5 | 22% | 0.219 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -98.7 | 126.4 | 173.5 | -53.6 | -55.4 | 0 | 0 | 0 | 110.3 | K49 M56 E58 V61 S207 N208 | K49-F51 HydrophobicContact CB-CE1 4.32Å; K49-F51 HydrophobicContact CB-CZ 4.02Å; F51-M56 HydrophobicContact CB-SD 4.46Å; F51-M56 HydrophobicContact CD1-SD 3.85Å; F51-E58 HydrophobicContact CD1-CB 4.41Å; F51-E58 HydrophobicContact CD1-CG 3.96Å; F51-E58 HydrophobicContact CD2-CG 4.16Å; F51-E58 HydrophobicContact CE1-CB 3.7Å; F51-E58 HydrophobicContact CE1-CG 3.71Å; F51-E58 HydrophobicContact CE2-CB 4.29Å; F51-E58 HydrophobicContact CE2-CG 3.91Å; F51-E58 HydrophobicContact CG-CG 4.17Å; F51-E58 HydrophobicContact CZ-CB 3.62Å; F51-E58 HydrophobicContact CZ-CG 3.68Å; F51-V61 HydrophobicContact CD1-CG2 4.15Å; F51-V61 HydrophobicContact CE1-CB 3.89Å; F51-V61 HydrophobicContact CE1-CG1 4.22Å; F51-V61 HydrophobicContact CE1-CG2 3.87Å; F51-S207 VanDerWaalsContact CE2-O 3.31Å; F51-S207 WeakPolarHBondContact CE2-O 3.4Å; F51-S207 WeakPolarHBondContact CZ-O 3.4Å; F51-N208 HydrophobicContact CD2-CB 4.48Å; F51-N208 HydrophobicContact CE2-CB 3.97Å |
| 52 | T | 85.1 | Confident | 93.5 | Very high | 114 Ų | 114 | 61.5 Ų | 61.5 | 70% | 0.699 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -92 | -15.6 | -179.1 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | M56 | T52-M56 WeakPolarHBondContact OG1-CE 2.98Š|
| 53 | S | 90.3 | Very high | 93.5 | Very high | 56 Ų | 56 | 61.9 Ų | 61.9 | 39% | 0.392 | 33% | 0.33 | S | S | . | . | trans | -153.3 | 147.1 | -177.8 | 177.6 | 0 | 0 | 0 | 0 | 110 | L55 M56 | S53-L55 PolarHBondContact O-N 3.17Å; S53-L55 PolarHBondContact OG-N 3.15Å; S53-L55 VanDerWaalsContact OG-N 3.1Å; S53-M56 VanDerWaalsContact O-CB 3.22Å; S53-M56 WeakPolarHBondContact O-CB 3.39Å; S53-M56 PolarHBondContact O-N 3.02Å; S53-M56 VanDerWaalsContact O-N 3.09Å | ||
| 54 | K | 89.1 | Confident | 93.5 | Very high | 209 Ų | 209 | 61.9 Ų | 61.9 | 91% | 0.909 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -15.1 | 169.9 | -62 | -177.7 | 178.5 | -177.2 | 0 | 113 | M56 | K54-M56 VanDerWaalsContact C-N 3.32Š|
| 55 | L | 94.8 | Very high | 93.4 | Very high | 165 Ų | 165 | 64.1 Ų | 64.1 | 86% | 0.864 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -5 | 176.3 | -56.8 | 178.4 | 0 | 0 | 0 | 112.6 | S53 | S53-L55 PolarHBondContact O-N 3.17Å; S53-L55 PolarHBondContact OG-N 3.15Å; S53-L55 VanDerWaalsContact OG-N 3.1Å |
| 56 | M | 92.4 | Very high | 93.4 | Very high | 62 Ų | 62 | 67.9 Ų | 67.9 | 31% | 0.305 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -71.8 | 135.1 | 175.3 | -174.8 | 171.5 | -75.6 | 0 | 0 | 109.3 | F51 T52 S53 K54 E58 V61 | F51-M56 HydrophobicContact CB-SD 4.46Å; F51-M56 HydrophobicContact CD1-SD 3.85Å; T52-M56 WeakPolarHBondContact OG1-CE 2.98Å; S53-M56 VanDerWaalsContact O-CB 3.22Å; S53-M56 WeakPolarHBondContact O-CB 3.39Å; S53-M56 PolarHBondContact O-N 3.02Å; S53-M56 VanDerWaalsContact O-N 3.09Å; K54-M56 VanDerWaalsContact C-N 3.32Å; M56-E58 PolarHBondContact O-N 2.76Å; M56-E58 VanDerWaalsContact O-N 3.1Å; M56-V61 HydrophobicContact CG-CG2 4.18Å; M56-V61 HydrophobicContact SD-CG2 3.71Å |
| 57 | D | 92.6 | Very high | 93.4 | Very high | 92 Ų | 92 | 68.5 Ų | 68.5 | 49% | 0.492 | 36% | 0.362 | S | S | . | . | trans | -75.6 | 98.7 | 170.3 | -174.6 | -11.2 | 0 | 0 | 0 | 109.4 | S59 T60 | D57-S59 VanDerWaalsContact CG-OG 3.31Å; D57-S59 PolarHBondContact O-N 3.31Å; D57-S59 VanDerWaalsContact O-N 3.13Å; D57-S59 WeakPolarHBondContact OD1-CB 3.43Å; D57-S59 PolarHBondContact OD1-N 2.83Å; D57-S59 VanDerWaalsContact OD1-N 3.09Å; D57-S59 PolarHBondContact OD1-OG 2.77Å; D57-S59 PolarHBondContact OD2-OG 3.11Å; D57-T60 HydrophobicContact CB-CG2 4.07Å; D57-T60 PolarHBondContact O-N 3.26Å; D57-T60 PolarHBondContact O-OG1 3.5Å | ||
| 58 | E | 91.3 | Very high | 93.4 | Very high | 77 Ų | 77 | 70 Ų | 70 | 36% | 0.36 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -57.2 | -26.4 | -177.7 | -60.1 | -173.6 | -175.7 | 0 | 0 | 113.1 | F51 M56 T60 V61 S207 | F51-E58 HydrophobicContact CD1-CB 4.41Å; F51-E58 HydrophobicContact CD1-CG 3.96Å; F51-E58 HydrophobicContact CD2-CG 4.16Å; F51-E58 HydrophobicContact CE1-CB 3.7Å; F51-E58 HydrophobicContact CE1-CG 3.71Å; F51-E58 HydrophobicContact CE2-CB 4.29Å; F51-E58 HydrophobicContact CE2-CG 3.91Å; F51-E58 HydrophobicContact CG-CG 4.17Å; F51-E58 HydrophobicContact CZ-CB 3.62Å; F51-E58 HydrophobicContact CZ-CG 3.68Å; M56-E58 PolarHBondContact O-N 2.76Å; M56-E58 VanDerWaalsContact O-N 3.1Å; E58-T60 PolarHBondContact O-N 2.76Å; E58-V61 PolarHBondContact O-N 2.75Å; E58-S207 WeakPolarHBondContact OE2-CB 3.45Å; E58-S207 PolarHBondContact OE2-OG 2.84Å |
| 59 | S | 89.5 | Confident | 93.4 | Very high | 97 Ų | 97 | 77.5 Ų | 77.5 | 68% | 0.678 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -70.4 | -20.2 | 179.9 | 75.1 | 0 | 0 | 0 | 0 | 113.3 | D57 | D57-S59 VanDerWaalsContact CG-OG 3.31Å; D57-S59 PolarHBondContact O-N 3.31Å; D57-S59 VanDerWaalsContact O-N 3.13Å; D57-S59 WeakPolarHBondContact OD1-CB 3.43Å; D57-S59 PolarHBondContact OD1-N 2.83Å; D57-S59 VanDerWaalsContact OD1-N 3.09Å; D57-S59 PolarHBondContact OD1-OG 2.77Å; D57-S59 PolarHBondContact OD2-OG 3.11Å |
| 60 | T | 90.6 | Very high | 93.5 | Very high | 95 Ų | 95 | 76.7 Ų | 76.7 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -90.9 | -8.6 | -178.6 | 66.5 | 0 | 0 | 0 | 0 | 113.6 | D57 E58 | D57-T60 HydrophobicContact CB-CG2 4.07Å; D57-T60 PolarHBondContact O-N 3.26Å; D57-T60 PolarHBondContact O-OG1 3.5Å; E58-T60 PolarHBondContact O-N 2.76Å |
| 61 | V | 92.7 | Very high | 93.9 | Very high | 34 Ų | 34 | 70.2 Ų | 70.2 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | trans | -91.9 | 107.7 | -178.1 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | K49 F51 M56 E58 | K49-V61 HydrophobicContact CB-CG1 4.23Å; K49-V61 HydrophobicContact CD-CG1 4.37Å; K49-V61 WeakPolarHBondContact CD-O 3.37Å; K49-V61 HydrophobicContact CG-CG1 4.32Å; F51-V61 HydrophobicContact CD1-CG2 4.15Å; F51-V61 HydrophobicContact CE1-CB 3.89Å; F51-V61 HydrophobicContact CE1-CG1 4.22Å; F51-V61 HydrophobicContact CE1-CG2 3.87Å; M56-V61 HydrophobicContact CG-CG2 4.18Å; M56-V61 HydrophobicContact SD-CG2 3.71Å; E58-V61 PolarHBondContact O-N 2.75Å | ||
| 62 | T | 94 | Very high | 94.4 | Very high | 62 Ų | 62 | 67.9 Ų | 67.9 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | trans | -116.1 | 147.6 | 174 | 62.5 | 0 | 0 | 0 | 0 | 110.7 | E65 | T62-E65 PolarHBondContact OG1-OE1 2.91Š| ||
| 63 | K | 96.9 | Very high | 95 | Very high | 7 Ų | 7 | 62.4 Ų | 62.4 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | trans | -124.4 | -24.9 | 173.1 | -81.8 | -160 | 71.3 | -166.8 | 0 | 113 | A32 P33 S34 A47 V48 V74 Y75 Y82 E210 | A32-K63 PolarHBondContact O-NZ 2.88Å; P33-K63 PolarHBondContact O-NZ 3.38Å; S34-K63 PolarHBondContact OG-NZ 2.99Å; A47-K63 HydrophobicContact CB-CB 3.87Å; A47-K63 HydrophobicContact CB-CD 3.96Å; V48-K63 WeakPolarHBondContact O-CD 3.5Å; K63-V74 WeakPolarHBondContact O-CA 3.35Å; K63-Y75 HydrophobicContact CB-CE1 4.4Å; K63-Y75 WeakPolarHBondContact CE-O 3.33Å; K63-Y75 HydrophobicContact CG-CE1 4.05Å; K63-Y75 PolarHBondContact NZ-O 3.48Å; K63-Y82 PolarHBondContact O-OH 2.85Å; K63-E210 PolarHBondContact N-OE2 3.06Å | ||
| 64 | I | 98.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.2 | 179.7 | -53.9 | -172.6 | 0 | 0 | 0 | 108.2 | L45 A47 M73 V74 E210 F219 I221 | L45-I64 HydrophobicContact CB-CD1 4.02Å; L45-I64 HydrophobicContact CD1-CG2 4.48Å; L45-I64 WeakPolarHBondContact O-CD1 3.31Å; A47-I64 HydrophobicContact CB-CD1 4.36Å; A47-I64 HydrophobicContact CB-CG1 4.2Å; I64-M73 WeakPolarHBondContact CA-O 3.42Å; I64-V74 HydrophobicContact CG1-CB 4.05Å; I64-V74 HydrophobicContact CG1-CG2 3.83Å; I64-E210 HydrophobicContact CB-CG 4.17Å; I64-E210 HydrophobicContact CD1-CB 4.3Å; I64-E210 HydrophobicContact CD1-CG 4.14Å; I64-E210 VanDerWaalsContact CD1-O 3.3Å; I64-E210 WeakPolarHBondContact CD1-O 3.22Å; I64-E210 HydrophobicContact CG1-CB 4.36Å; I64-E210 HydrophobicContact CG1-CG 4.1Å; I64-E210 PolarHBondContact N-OE2 3.35Å; I64-F219 HydrophobicContact CG2-CE1 4.11Å; I64-F219 HydrophobicContact CG2-CZ 3.55Å; I64-I221 HydrophobicContact CG2-CG1 4.31Å; I64-I221 VanDerWaalsContact O-CD1 3.26Å; I64-I221 WeakPolarHBondContact O-CD1 3.25Å |
| 65 | E | 98.3 | Very high | 95.9 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 22% | 0.22 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 134.1 | -179 | -70 | -79.1 | 166.3 | 0 | 0 | 110.4 | T62 V67 G72 M73 Y82 V86 R90 | T62-E65 PolarHBondContact OG1-OE1 2.91Å; E65-V67 PolarHBondContact O-N 3.44Å; E65-G72 CarbonylContact O-C 3.48Å; E65-G72 WeakPolarHBondContact O-CA 3.3Å; E65-M73 PolarHBondContact N-O 3.36Å; E65-M73 PolarHBondContact O-N 3.12Å; E65-Y82 VanDerWaalsContact CB-OH 3.26Å; E65-Y82 WeakPolarHBondContact CB-OH 3.36Å; E65-Y82 HydrophobicContact CG-CE1 3.83Å; E65-Y82 WeakPolarHBondContact CG-OH 3.34Å; E65-Y82 PolarHBondContact N-OH 2.71Å; E65-V86 HydrophobicContact CB-CG1 4.01Å; E65-V86 HydrophobicContact CB-CG2 4.15Å; E65-V86 HydrophobicContact CG-CG1 4.27Å; E65-V86 HydrophobicContact CG-CG2 4.26Å; E65-R90 IonicContact OE2-CZ 3.34Å; E65-R90 IonicContact OE2-NH1 3.23Å; E65-R90 IonicContact OE2-NH2 3.11Å; E65-R90 PolarHBondContact OE2-NH2 3.03Å |
| 66 | Q | 98.3 | Very high | 96.1 | Very high | 78 Ų | 78 | 43 Ų | 43 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 121.2 | 167.6 | -175 | 171.6 | 8.6 | 0 | 0 | 109.8 | T68 R90 F219 | Q66-T68 WeakPolarHBondContact CG-O 3.47Å; Q66-T68 PolarHBondContact NE2-O 3.47Å; Q66-R90 PolarHBondContact O-NE 2.83Å; Q66-R90 PolarHBondContact O-NH2 3.07Å; Q66-F219 HydrophobicContact CB-CD1 3.95Å; Q66-F219 HydrophobicContact CB-CE1 4.29Å; Q66-F219 HydrophobicContact CG-CD1 3.97Å; Q66-F219 PolarHBondContact NE2-O 2.84Å |
| 67 | V | 98.5 | Very high | 96.3 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 9% | 0.085 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -45 | 177.5 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | E65 I71 M73 A89 R90 L109 | E65-V67 PolarHBondContact O-N 3.44Å; V67-I71 HydrophobicContact CB-CG2 4.49Å; V67-I71 PolarHBondContact N-O 2.84Å; V67-M73 HydrophobicContact CG2-CB 4.04Å; V67-M73 HydrophobicContact CG2-CG 3.53Å; V67-M73 HydrophobicContact CG2-SD 3.45Å; V67-M73 WeakPolarHBondContact CG2-SD 3.47Å; V67-A89 HydrophobicContact CG1-CB 3.71Å; V67-A89 HydrophobicContact CG2-CB 4.34Å; V67-R90 HydrophobicContact CG1-CG 4.04Å; V67-L109 HydrophobicContact CB-CD2 4.43Å; V67-L109 HydrophobicContact CG1-CD2 3.93Å |
| 68 | T | 98 | Very high | 96.5 | Very high | 30 Ų | 30 | 40 Ų | 40 | 18% | 0.184 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 176.9 | 176.5 | 79.2 | 0 | 0 | 0 | 0 | 109.3 | Q66 G70 I71 S93 I104 | Q66-T68 WeakPolarHBondContact CG-O 3.47Å; Q66-T68 PolarHBondContact NE2-O 3.47Å; T68-G70 PolarHBondContact O-N 3.18Å; T68-G70 VanDerWaalsContact O-N 3.12Å; T68-G70 PolarHBondContact OG1-N 3.11Å; T68-G70 VanDerWaalsContact OG1-N 3.17Å; T68-I71 HydrophobicContact CG2-CB 4.45Å; T68-I71 HydrophobicContact CG2-CD1 4.3Å; T68-I71 PolarHBondContact N-O 3.23Å; T68-I71 VanDerWaalsContact N-O 3.16Å; T68-I71 PolarHBondContact O-N 3.24Å; T68-I71 WeakPolarHBondContact OG1-CB 3.3Å; T68-I71 WeakPolarHBondContact OG1-CG1 3.38Å; T68-I71 PolarHBondContact OG1-N 3.02Å; T68-I71 VanDerWaalsContact OG1-N 3.13Å; T68-S93 WeakPolarHBondContact CG2-OG 3.28Å; T68-I104 HydrophobicContact CG2-CG2 4.2Å |
| 69 | K | 96.6 | Very high | 96.8 | Very high | 174 Ų | 174 | 39 Ų | 39 | 76% | 0.757 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.4 | 173.6 | -68.4 | -173.7 | 179 | -177.1 | 0 | 113.5 | G218 F219 | K69-G218 CarbonylContact O-C 3.51Å; K69-G218 WeakPolarHBondContact O-CA 3.27Å; K69-F219 PolarHBondContact O-N 2.86Å |
| 70 | G | 96.8 | Very high | 97.1 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 9% | 0.093 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 13 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | T68 G137 W138 C214 | T68-G70 PolarHBondContact O-N 3.18Å; T68-G70 VanDerWaalsContact O-N 3.12Å; T68-G70 PolarHBondContact OG1-N 3.11Å; T68-G70 VanDerWaalsContact OG1-N 3.17Å; G70-G137 WeakPolarHBondContact O-CA 3.28Å; G70-W138 PolarHBondContact O-N 3.25Å; G70-C214 PolarHBondContact O-SG 3.18Å |
| 71 | I | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 129.8 | -178.9 | -56.4 | 171.1 | 0 | 0 | 0 | 110.4 | V67 T68 I104 P106 L109 V135 A136 | V67-I71 HydrophobicContact CB-CG2 4.49Å; V67-I71 PolarHBondContact N-O 2.84Å; T68-I71 HydrophobicContact CG2-CB 4.45Å; T68-I71 HydrophobicContact CG2-CD1 4.3Å; T68-I71 PolarHBondContact N-O 3.23Å; T68-I71 VanDerWaalsContact N-O 3.16Å; T68-I71 PolarHBondContact O-N 3.24Å; T68-I71 WeakPolarHBondContact OG1-CB 3.3Å; T68-I71 WeakPolarHBondContact OG1-CG1 3.38Å; T68-I71 PolarHBondContact OG1-N 3.02Å; T68-I71 VanDerWaalsContact OG1-N 3.13Å; I71-I104 HydrophobicContact CD1-CG2 4.1Å; I71-P106 HydrophobicContact CD1-CG 4.35Å; I71-P106 HydrophobicContact CG1-CG 4.24Å; I71-L109 HydrophobicContact CB-CD2 4.44Å; I71-L109 HydrophobicContact CD1-CB 4.3Å; I71-L109 HydrophobicContact CD1-CD2 3.91Å; I71-L109 HydrophobicContact CG2-CD2 3.72Å; I71-V135 HydrophobicContact CG2-CG1 3.62Å; I71-A136 CarbonylContact C-O 3.58Å; I71-A136 VanDerWaalsContact CA-O 3.32Å; I71-A136 WeakPolarHBondContact CA-O 3.35Å |
| 72 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 158.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E65 A136 | E65-G72 CarbonylContact O-C 3.48Å; E65-G72 WeakPolarHBondContact O-CA 3.3Å; G72-A136 PolarHBondContact N-O 3.07Å; G72-A136 PolarHBondContact O-N 3.36Å |
| 73 | M | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147.6 | 179.9 | -74 | -179.1 | 54.5 | 0 | 0 | 111.2 | I64 E65 V67 Y82 A89 I113 L133 L134 V135 | I64-M73 WeakPolarHBondContact CA-O 3.42Å; E65-M73 PolarHBondContact N-O 3.36Å; E65-M73 PolarHBondContact O-N 3.12Å; V67-M73 HydrophobicContact CG2-CB 4.04Å; V67-M73 HydrophobicContact CG2-CG 3.53Å; V67-M73 HydrophobicContact CG2-SD 3.45Å; V67-M73 WeakPolarHBondContact CG2-SD 3.47Å; M73-Y82 HydrophobicContact CB-CE2 4.25Å; M73-Y82 HydrophobicContact CE-CE2 4.44Å; M73-Y82 PolarHBondContact O-OH 3.43Å; M73-A89 HydrophobicContact SD-CB 3.83Å; M73-I113 HydrophobicContact CE-CD1 3.9Å; M73-I113 HydrophobicContact SD-CD1 3.61Å; M73-L133 HydrophobicContact CE-CB 4.47Å; M73-L133 HydrophobicContact CE-CD1 3.62Å; M73-L133 HydrophobicContact CE-CD2 4.05Å; M73-L133 HydrophobicContact CE-CG 4.27Å; M73-L134 CarbonylContact C-O 3.57Å; M73-L134 VanDerWaalsContact CA-O 3.28Å; M73-L134 WeakPolarHBondContact CA-O 3.26Å; M73-V135 HydrophobicContact CG-CB 4.41Å; M73-V135 HydrophobicContact CG-CG1 4.16Å; M73-V135 HydrophobicContact CG-CG2 4.06Å; M73-V135 HydrophobicContact SD-CG2 4.43Å |
| 74 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 162.9 | 170.7 | 64.5 | 0 | 0 | 0 | 0 | 109.5 | L45 A47 K63 I64 L133 L134 | L45-V74 HydrophobicContact CB-CG1 4.13Å; L45-V74 HydrophobicContact CD1-CB 4.16Å; L45-V74 HydrophobicContact CD1-CG1 3.82Å; L45-V74 HydrophobicContact CD2-CG1 3.76Å; L45-V74 HydrophobicContact CG-CG1 4.11Å; A47-V74 HydrophobicContact CB-CG2 3.7Å; K63-V74 WeakPolarHBondContact O-CA 3.35Å; I64-V74 HydrophobicContact CG1-CB 4.05Å; I64-V74 HydrophobicContact CG1-CG2 3.83Å; V74-L133 CarbonylContact O-C 3.53Å; V74-L133 WeakPolarHBondContact O-CA 3.29Å; V74-L134 HydrophobicContact CG1-CB 3.65Å; V74-L134 HydrophobicContact CG1-CD1 4.1Å; V74-L134 HydrophobicContact CG1-CG 4.15Å; V74-L134 PolarHBondContact N-O 3.24Å; V74-L134 PolarHBondContact O-N 2.79Å |
| 75 | Y | 98.6 | Very high | 98 | Very high | 22 Ų | 22 | 40 Ų | 40 | 9% | 0.086 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 158 | 179.1 | 79.4 | -73.9 | 0 | 0 | 0 | 113.5 | S34 K63 G77 S79 Y82 V131 S132 | S34-Y75 PolarHBondContact OG-O 3.29Å; K63-Y75 HydrophobicContact CB-CE1 4.4Å; K63-Y75 WeakPolarHBondContact CE-O 3.33Å; K63-Y75 HydrophobicContact CG-CE1 4.05Å; K63-Y75 PolarHBondContact NZ-O 3.48Å; Y75-G77 WeakPolarHBondContact CE2-O 3.5Å; Y75-S79 WeakPolarHBondContact OH-CA 3.34Å; Y75-S79 WeakPolarHBondContact OH-CB 3.49Å; Y75-Y82 AromaticContact CD1-CD1 3.21Å; Y75-Y82 HydrophobicContact CD1-CD1 3.21Å; Y75-Y82 AromaticContact CD1-CD2 3.6Å; Y75-Y82 HydrophobicContact CD1-CD2 3.6Å; Y75-Y82 AromaticContact CD1-CE1 3.62Å; Y75-Y82 HydrophobicContact CD1-CE1 3.62Å; Y75-Y82 AromaticContact CD1-CE2 3.95Å; Y75-Y82 HydrophobicContact CD1-CE2 3.95Å; Y75-Y82 AromaticContact CD1-CG 3.18Å; Y75-Y82 HydrophobicContact CD1-CG 3.18Å; Y75-Y82 AromaticContact CD1-CZ 3.95Å; Y75-Y82 HydrophobicContact CD2-CG 4.31Å; Y75-Y82 AromaticContact CE1-CD1 3.44Å; Y75-Y82 HydrophobicContact CE1-CD1 3.44Å; Y75-Y82 VanDerWaalsContact CE1-CD1 3.44Å; Y75-Y82 AromaticContact CE1-CE1 3.97Å; Y75-Y82 HydrophobicContact CE1-CE1 3.97Å; Y75-Y82 AromaticContact CE1-CG 3.79Å; Y75-Y82 HydrophobicContact CE1-CG 3.79Å; Y75-Y82 HydrophobicContact CG-CD1 4.03Å; Y75-Y82 AromaticContact CG-CD2 3.72Å; Y75-Y82 HydrophobicContact CG-CD2 3.72Å; Y75-Y82 HydrophobicContact CG-CE2 4.35Å; Y75-Y82 AromaticContact CG-CG 3.5Å; Y75-Y82 HydrophobicContact CG-CG 3.5Å; Y75-V131 HydrophobicContact CD2-CB 4.36Å; Y75-V131 HydrophobicContact CD2-CG1 3.66Å; Y75-V131 HydrophobicContact CE2-CG1 4.4Å; Y75-V131 HydrophobicContact CG-CG1 4.42Å; Y75-S132 VanDerWaalsContact CA-O 3.28Å; Y75-S132 WeakPolarHBondContact CA-O 3.31Å |
| 76 | S | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135 | 156.9 | -62.7 | 0 | 0 | 0 | 0 | 109.2 | A32 S34 V131 S132 L164 | A32-S76 PolarHBondContact O-OG 3.38Å; A32-S76 VanDerWaalsContact O-OG 3.06Å; S34-S76 WeakPolarHBondContact CB-OG 3.23Å; S34-S76 PolarHBondContact OG-OG 2.78Å; S76-V131 WeakPolarHBondContact O-CA 3.28Å; S76-S132 PolarHBondContact N-O 2.9Å; S76-S132 PolarHBondContact O-N 3.31Å; S76-L164 WeakPolarHBondContact OG-CB 3.32Å; S76-L164 PolarHBondContact OG-O 3.13Å |
| 77 | G | 98 | Very high | 98 | Very high | 15 Ų | 15 | 42 Ų | 42 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 129.3 | -137.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y75 G130 | Y75-G77 WeakPolarHBondContact CE2-O 3.5Å; G77-G130 CarbonylContact C-O 3.48Å; G77-G130 VanDerWaalsContact CA-O 3.26Å; G77-G130 WeakPolarHBondContact CA-O 3.47Å |
| 78 | L | 97.3 | Very high | 98 | Very high | 75 Ų | 75 | 44.6 Ų | 44.6 | 39% | 0.393 | 22% | 0.223 | S | C | . | . | trans | -84.6 | 118 | -176.6 | -59.4 | -179.4 | 0 | 0 | 0 | 113.1 | A27 P80 D81 Y82 G130 V131 | A27-L78 HydrophobicContact CB-CG 4.34Å; L78-P80 VanDerWaalsContact C-CD 3.44Å; L78-D81 HydrophobicContact CB-CB 4.29Å; L78-D81 WeakPolarHBondContact O-CB 3.49Å; L78-D81 PolarHBondContact O-N 2.89Å; L78-Y82 PolarHBondContact O-N 3.04Å; L78-G130 PolarHBondContact N-O 2.86Å; L78-V131 HydrophobicContact CB-CG1 4.49Å; L78-V131 WeakPolarHBondContact O-CG1 3.31Å | ||
| 79 | S | 96.3 | Very high | 98.1 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 40% | 0.399 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.1 | -34.8 | -179.6 | 76.4 | 0 | 0 | 0 | 0 | 115.6 | Y75 D81 Y82 R83 | Y75-S79 WeakPolarHBondContact OH-CA 3.34Å; Y75-S79 WeakPolarHBondContact OH-CB 3.49Å; S79-D81 VanDerWaalsContact C-N 3.32Å; S79-D81 PolarHBondContact O-N 2.89Å; S79-Y82 PolarHBondContact O-N 2.74Å; S79-R83 PolarHBondContact O-N 2.89Å |
| 80 | P | 96.8 | Very high | 98.2 | Very high | 63 Ų | 63 | 39 Ų | 39 | 41% | 0.409 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.5 | -37.7 | 177.6 | -22.9 | 36.6 | 0 | 0 | 0 | 112.8 | L78 R83 V84 | L78-P80 VanDerWaalsContact C-CD 3.44Å; P80-R83 PolarHBondContact O-N 3.37Å; P80-V84 PolarHBondContact O-N 2.99Å |
| 81 | D | 98.2 | Very high | 98.2 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -43.4 | 179.1 | -73.9 | 12.7 | 0 | 0 | 0 | 110.9 | L78 S79 R83 V84 L85 R127 F129 G130 V131 | L78-D81 HydrophobicContact CB-CB 4.29Å; L78-D81 WeakPolarHBondContact O-CB 3.49Å; L78-D81 PolarHBondContact O-N 2.89Å; S79-D81 VanDerWaalsContact C-N 3.32Å; S79-D81 PolarHBondContact O-N 2.89Å; D81-R83 PolarHBondContact O-N 3.28Å; D81-V84 PolarHBondContact O-N 3.3Å; D81-L85 PolarHBondContact O-N 2.93Å; D81-R127 IonicContact OD1-CZ 2.73Å; D81-R127 IonicContact OD1-NH1 3.52Å; D81-R127 PolarHBondContact OD1-NH1 3.49Å; D81-R127 IonicContact OD1-NH2 3.56Å; D81-R127 PolarHBondContact OD1-NH2 3.03Å; D81-R127 IonicContact OD2-CZ 2.69Å; D81-R127 IonicContact OD2-NH1 3.25Å; D81-R127 PolarHBondContact OD2-NH1 3.12Å; D81-R127 IonicContact OD2-NH2 2.76Å; D81-F129 HydrophobicContact CB-CB 4.41Å; D81-F129 HydrophobicContact CB-CD1 3.86Å; D81-F129 WeakPolarHBondContact OD2-CA 3.37Å; D81-G130 PolarHBondContact OD2-N 3.06Å; D81-V131 HydrophobicContact CB-CG1 3.98Å; D81-V131 HydrophobicContact CB-CG2 4.35Å |
| 82 | Y | 98.4 | Very high | 98.2 | Very high | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 175.2 | 173.1 | -116.5 | 0 | 0 | 0 | 112.7 | K63 E65 M73 Y75 L78 S79 V84 L85 V86 L133 | K63-Y82 PolarHBondContact O-OH 2.85Å; E65-Y82 VanDerWaalsContact CB-OH 3.26Å; E65-Y82 WeakPolarHBondContact CB-OH 3.36Å; E65-Y82 HydrophobicContact CG-CE1 3.83Å; E65-Y82 WeakPolarHBondContact CG-OH 3.34Å; E65-Y82 PolarHBondContact N-OH 2.71Å; M73-Y82 HydrophobicContact CB-CE2 4.25Å; M73-Y82 HydrophobicContact CE-CE2 4.44Å; M73-Y82 PolarHBondContact O-OH 3.43Å; Y75-Y82 AromaticContact CD1-CD1 3.21Å; Y75-Y82 HydrophobicContact CD1-CD1 3.21Å; Y75-Y82 AromaticContact CD1-CD2 3.6Å; Y75-Y82 HydrophobicContact CD1-CD2 3.6Å; Y75-Y82 AromaticContact CD1-CE1 3.62Å; Y75-Y82 HydrophobicContact CD1-CE1 3.62Å; Y75-Y82 AromaticContact CD1-CE2 3.95Å; Y75-Y82 HydrophobicContact CD1-CE2 3.95Å; Y75-Y82 AromaticContact CD1-CG 3.18Å; Y75-Y82 HydrophobicContact CD1-CG 3.18Å; Y75-Y82 AromaticContact CD1-CZ 3.95Å; Y75-Y82 HydrophobicContact CD2-CG 4.31Å; Y75-Y82 AromaticContact CE1-CD1 3.44Å; Y75-Y82 HydrophobicContact CE1-CD1 3.44Å; Y75-Y82 VanDerWaalsContact CE1-CD1 3.44Å; Y75-Y82 AromaticContact CE1-CE1 3.97Å; Y75-Y82 HydrophobicContact CE1-CE1 3.97Å; Y75-Y82 AromaticContact CE1-CG 3.79Å; Y75-Y82 HydrophobicContact CE1-CG 3.79Å; Y75-Y82 HydrophobicContact CG-CD1 4.03Å; Y75-Y82 AromaticContact CG-CD2 3.72Å; Y75-Y82 HydrophobicContact CG-CD2 3.72Å; Y75-Y82 HydrophobicContact CG-CE2 4.35Å; Y75-Y82 AromaticContact CG-CG 3.5Å; Y75-Y82 HydrophobicContact CG-CG 3.5Å; L78-Y82 PolarHBondContact O-N 3.04Å; S79-Y82 PolarHBondContact O-N 2.74Å; Y82-V84 VanDerWaalsContact C-N 3.28Å; Y82-V84 PolarHBondContact O-N 3.45Å; Y82-L85 PolarHBondContact O-N 3.37Å; Y82-L85 VanDerWaalsContact O-N 3.08Å; Y82-V86 HydrophobicContact CD1-CG2 4.21Å; Y82-V86 HydrophobicContact CD2-CG2 3.85Å; Y82-V86 HydrophobicContact CE1-CG2 3.77Å; Y82-V86 HydrophobicContact CE2-CG2 3.4Å; Y82-V86 HydrophobicContact CG-CG2 4.26Å; Y82-V86 WeakPolarHBondContact O-CG2 3.41Å; Y82-V86 PolarHBondContact O-N 3.31Å; Y82-L133 HydrophobicContact CD2-CD2 3.7Å; Y82-L133 HydrophobicContact CE2-CD2 4.17Å |
| 83 | R | 97.9 | Very high | 98.2 | Very high | 161 Ų | 161 | 46.4 Ų | 46.4 | 61% | 0.608 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.3 | -35.7 | 179.8 | -71.8 | -177.1 | -67.8 | 127.1 | -4.5 | 112.8 | S79 P80 D81 K87 | S79-R83 PolarHBondContact O-N 2.89Å; P80-R83 PolarHBondContact O-N 3.37Å; D81-R83 PolarHBondContact O-N 3.28Å; R83-K87 PolarHBondContact O-N 3.2Å; R83-K87 VanDerWaalsContact O-N 3.17Å |
| 84 | V | 98.1 | Very high | 98.2 | Very high | 76 Ų | 76 | 52.7 Ų | 52.7 | 46% | 0.461 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 174.1 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | P80 D81 Y82 K87 Q88 F129 | P80-V84 PolarHBondContact O-N 2.99Å; D81-V84 PolarHBondContact O-N 3.3Å; Y82-V84 VanDerWaalsContact C-N 3.28Å; Y82-V84 PolarHBondContact O-N 3.45Å; V84-K87 PolarHBondContact O-N 2.9Å; V84-Q88 PolarHBondContact O-N 3.28Å; V84-F129 HydrophobicContact CB-CE1 4.27Å; V84-F129 HydrophobicContact CG1-CE1 4.03Å; V84-F129 HydrophobicContact CG1-CZ 4.36Å |
| 85 | L | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -39.2 | -179.3 | -64.9 | 171.4 | 0 | 0 | 0 | 112.6 | D81 Y82 K87 Q88 A89 I113 V116 M117 F129 V131 L133 | D81-L85 PolarHBondContact O-N 2.93Å; Y82-L85 PolarHBondContact O-N 3.37Å; Y82-L85 VanDerWaalsContact O-N 3.08Å; L85-K87 PolarHBondContact O-N 2.86Å; L85-Q88 PolarHBondContact O-N 3.25Å; L85-A89 VanDerWaalsContact O-CB 3.3Å; L85-A89 WeakPolarHBondContact O-CB 3.35Å; L85-A89 PolarHBondContact O-N 3Å; L85-I113 HydrophobicContact CD2-CG2 4.43Å; L85-V116 HydrophobicContact CD2-CG1 4.3Å; L85-M117 HydrophobicContact CD1-CE 4.26Å; L85-M117 HydrophobicContact CD1-CG 4.06Å; L85-M117 HydrophobicContact CD1-SD 3.94Å; L85-M117 HydrophobicContact CD2-CG 3.73Å; L85-M117 HydrophobicContact CD2-SD 4.47Å; L85-F129 HydrophobicContact CD1-CB 4.2Å; L85-F129 HydrophobicContact CD1-CD1 4.01Å; L85-F129 HydrophobicContact CD1-CD2 4.48Å; L85-F129 HydrophobicContact CD1-CG 3.99Å; L85-F129 HydrophobicContact CD2-CD1 4.21Å; L85-F129 HydrophobicContact CD2-CD2 4.11Å; L85-F129 HydrophobicContact CD2-CE1 3.97Å; L85-F129 HydrophobicContact CD2-CE2 3.85Å; L85-F129 HydrophobicContact CD2-CG 4.28Å; L85-F129 HydrophobicContact CD2-CZ 3.77Å; L85-F129 HydrophobicContact CG-CD1 4.02Å; L85-F129 HydrophobicContact CG-CE1 4.03Å; L85-F129 HydrophobicContact CG-CG 4.34Å; L85-F129 HydrophobicContact CG-CZ 4.36Å; L85-V131 HydrophobicContact CD1-CG2 3.55Å; L85-L133 HydrophobicContact CD1-CD1 3.95Å; L85-L133 HydrophobicContact CD1-CD2 4.29Å; L85-L133 HydrophobicContact CD1-CG 4.42Å |
| 86 | V | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.2 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | E65 Y82 Q88 A89 R90 | E65-V86 HydrophobicContact CB-CG1 4.01Å; E65-V86 HydrophobicContact CB-CG2 4.15Å; E65-V86 HydrophobicContact CG-CG1 4.27Å; E65-V86 HydrophobicContact CG-CG2 4.26Å; Y82-V86 HydrophobicContact CD1-CG2 4.21Å; Y82-V86 HydrophobicContact CD2-CG2 3.85Å; Y82-V86 HydrophobicContact CE1-CG2 3.77Å; Y82-V86 HydrophobicContact CE2-CG2 3.4Å; Y82-V86 HydrophobicContact CG-CG2 4.26Å; Y82-V86 WeakPolarHBondContact O-CG2 3.41Å; Y82-V86 PolarHBondContact O-N 3.31Å; V86-Q88 VanDerWaalsContact C-N 3.31Å; V86-Q88 PolarHBondContact O-N 2.83Å; V86-A89 PolarHBondContact O-N 3.02Å; V86-R90 WeakPolarHBondContact O-CG 3.2Å; V86-R90 PolarHBondContact O-N 2.92Å |
| 87 | K | 98.5 | Very high | 98.1 | Very high | 163 Ų | 163 | 60.5 Ų | 60.5 | 71% | 0.709 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 176.7 | -174.6 | 177.1 | -179.1 | 178.4 | 0 | 111.2 | R83 V84 L85 K91 | R83-K87 PolarHBondContact O-N 3.2Å; R83-K87 VanDerWaalsContact O-N 3.17Å; V84-K87 PolarHBondContact O-N 2.9Å; L85-K87 PolarHBondContact O-N 2.86Å; K87-K91 PolarHBondContact O-N 2.69Å; K87-K91 VanDerWaalsContact O-N 3.07Å |
| 88 | Q | 98.4 | Very high | 98.1 | Very high | 69 Ų | 69 | 67.2 Ų | 67.2 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 177.2 | -173.5 | 63.8 | 3.8 | 0 | 0 | 112 | V84 L85 V86 K91 S92 V116 | V84-Q88 PolarHBondContact O-N 3.28Å; L85-Q88 PolarHBondContact O-N 3.25Å; V86-Q88 VanDerWaalsContact C-N 3.31Å; V86-Q88 PolarHBondContact O-N 2.83Å; Q88-K91 PolarHBondContact O-N 2.83Å; Q88-S92 WeakPolarHBondContact O-CB 3.25Å; Q88-S92 PolarHBondContact O-N 2.79Å; Q88-S92 PolarHBondContact O-OG 2.78Å; Q88-S92 VanDerWaalsContact O-OG 3.13Å; Q88-V116 HydrophobicContact CG-CG1 4.32Å; Q88-V116 HydrophobicContact CG-CG2 3.87Å |
| 89 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V67 M73 L85 V86 S92 S93 L109 I113 | V67-A89 HydrophobicContact CG1-CB 3.71Å; V67-A89 HydrophobicContact CG2-CB 4.34Å; M73-A89 HydrophobicContact SD-CB 3.83Å; L85-A89 VanDerWaalsContact O-CB 3.3Å; L85-A89 WeakPolarHBondContact O-CB 3.35Å; L85-A89 PolarHBondContact O-N 3Å; V86-A89 PolarHBondContact O-N 3.02Å; A89-S92 PolarHBondContact O-N 2.88Å; A89-S93 WeakPolarHBondContact O-CB 3.06Å; A89-S93 PolarHBondContact O-N 2.95Å; A89-S93 PolarHBondContact O-OG 3.27Å; A89-L109 HydrophobicContact CB-CD1 4.09Å; A89-I113 HydrophobicContact CB-CD1 3.64Å; A89-I113 HydrophobicContact CB-CG1 4.03Å |
| 90 | R | 98.7 | Very high | 98.2 | Very high | 88 Ų | 88 | 71.1 Ų | 71.1 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 175.8 | -73.6 | 175.8 | 175.3 | 148.9 | 2.9 | 111.5 | E65 Q66 V67 V86 S93 Q94 | E65-R90 IonicContact OE2-CZ 3.34Å; E65-R90 IonicContact OE2-NH1 3.23Å; E65-R90 IonicContact OE2-NH2 3.11Å; E65-R90 PolarHBondContact OE2-NH2 3.03Å; Q66-R90 PolarHBondContact O-NE 2.83Å; Q66-R90 PolarHBondContact O-NH2 3.07Å; V67-R90 HydrophobicContact CG1-CG 4.04Å; V86-R90 WeakPolarHBondContact O-CG 3.2Å; V86-R90 PolarHBondContact O-N 2.92Å; R90-S93 PolarHBondContact O-N 2.82Å; R90-Q94 WeakPolarHBondContact O-CG 3.08Å; R90-Q94 PolarHBondContact O-N 3.3Å |
| 91 | K | 98.5 | Very high | 98.3 | Very high | 143 Ų | 143 | 71.3 Ų | 71.3 | 62% | 0.622 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.5 | -46.8 | 177 | -173.7 | -179.9 | 178.9 | -175.7 | 0 | 111.9 | K87 Q88 S93 Q94 A95 | K87-K91 PolarHBondContact O-N 2.69Å; K87-K91 VanDerWaalsContact O-N 3.07Å; Q88-K91 PolarHBondContact O-N 2.83Å; K91-S93 VanDerWaalsContact C-N 3.31Å; K91-S93 PolarHBondContact O-N 2.87Å; K91-Q94 PolarHBondContact O-N 2.91Å; K91-A95 WeakPolarHBondContact O-CB 3.43Å; K91-A95 PolarHBondContact O-N 2.82Å |
| 92 | S | 98.3 | Very high | 98.2 | Very high | 14 Ų | 14 | 74.8 Ų | 74.8 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 177.5 | -73.2 | 0 | 0 | 0 | 0 | 112.6 | Q88 A89 Y96 R112 | Q88-S92 WeakPolarHBondContact O-CB 3.25Å; Q88-S92 PolarHBondContact O-N 2.79Å; Q88-S92 PolarHBondContact O-OG 2.78Å; Q88-S92 VanDerWaalsContact O-OG 3.13Å; A89-S92 PolarHBondContact O-N 2.88Å; S92-Y96 WeakPolarHBondContact O-CB 3.04Å; S92-Y96 PolarHBondContact O-N 2.98Å; S92-R112 PolarHBondContact O-NH1 3.33Å |
| 93 | S | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 77.5 Ų | 77.5 | 6% | 0.056 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 178 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | T68 A89 R90 K91 Y96 Q97 L109 | T68-S93 WeakPolarHBondContact CG2-OG 3.28Å; A89-S93 WeakPolarHBondContact O-CB 3.06Å; A89-S93 PolarHBondContact O-N 2.95Å; A89-S93 PolarHBondContact O-OG 3.27Å; R90-S93 PolarHBondContact O-N 2.82Å; K91-S93 VanDerWaalsContact C-N 3.31Å; K91-S93 PolarHBondContact O-N 2.87Å; S93-Y96 WeakPolarHBondContact O-CB 3.43Å; S93-Y96 PolarHBondContact O-N 2.95Å; S93-Q97 PolarHBondContact O-N 3.42Å; S93-L109 WeakPolarHBondContact OG-CD1 3.39Å |
| 94 | Q | 98.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 70.2 Ų | 70.2 | 62% | 0.617 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66 | -41.2 | 177.6 | -69.1 | 171.9 | 26.2 | 0 | 0 | 111.7 | R90 K91 Y96 Q97 L98 | R90-Q94 WeakPolarHBondContact O-CG 3.08Å; R90-Q94 PolarHBondContact O-N 3.3Å; K91-Q94 PolarHBondContact O-N 2.91Å; Q94-Y96 VanDerWaalsContact C-N 3.32Å; Q94-Y96 PolarHBondContact O-N 2.92Å; Q94-Q97 PolarHBondContact O-N 3.22Å; Q94-L98 WeakPolarHBondContact O-CB 3.32Å; Q94-L98 PolarHBondContact O-N 3.06Å |
| 95 | A | 98.4 | Very high | 98 | Very high | 49 Ų | 49 | 67.7 Ų | 67.7 | 41% | 0.405 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K91 L98 A99 | K91-A95 WeakPolarHBondContact O-CB 3.43Å; K91-A95 PolarHBondContact O-N 2.82Å; A95-L98 PolarHBondContact O-N 2.8Å; A95-A99 WeakPolarHBondContact O-CB 3.42Å; A95-A99 PolarHBondContact O-N 3.02Å; A95-A99 VanDerWaalsContact O-N 3.09Å |
| 96 | Y | 98.5 | Very high | 98 | Very high | 30 Ų | 30 | 67.7 Ų | 67.7 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.8 | -49.4 | 173.5 | -172.9 | -78.9 | 0 | 0 | 0 | 111.1 | S92 S93 Q94 L98 A99 Y100 E102 I104 Q108 | S92-Y96 WeakPolarHBondContact O-CB 3.04Å; S92-Y96 PolarHBondContact O-N 2.98Å; S93-Y96 WeakPolarHBondContact O-CB 3.43Å; S93-Y96 PolarHBondContact O-N 2.95Å; Q94-Y96 VanDerWaalsContact C-N 3.32Å; Q94-Y96 PolarHBondContact O-N 2.92Å; Y96-L98 VanDerWaalsContact C-N 3.29Å; Y96-L98 PolarHBondContact O-N 3.14Å; Y96-A99 PolarHBondContact O-N 2.84Å; Y96-A99 VanDerWaalsContact O-N 3.1Å; Y96-Y100 AromaticContact CD1-CD2 3.8Å; Y96-Y100 HydrophobicContact CD1-CD2 3.8Å; Y96-Y100 AromaticContact CD2-CD2 3.6Å; Y96-Y100 HydrophobicContact CD2-CD2 3.6Å; Y96-Y100 AromaticContact CD2-CE2 3.65Å; Y96-Y100 HydrophobicContact CD2-CE2 3.65Å; Y96-Y100 AromaticContact CE1-CD2 3.73Å; Y96-Y100 HydrophobicContact CE1-CD2 3.73Å; Y96-Y100 HydrophobicContact CE1-CG 4.24Å; Y96-Y100 AromaticContact CE2-CD2 3.53Å; Y96-Y100 HydrophobicContact CE2-CD2 3.53Å; Y96-Y100 AromaticContact CE2-CE2 3.58Å; Y96-Y100 HydrophobicContact CE2-CE2 3.58Å; Y96-Y100 AromaticContact CG-CD2 3.72Å; Y96-Y100 HydrophobicContact CG-CD2 3.72Å; Y96-Y100 HydrophobicContact CG-CE2 4.19Å; Y96-Y100 AromaticContact CZ-CD2 3.59Å; Y96-Y100 WeakPolarHBondContact O-CD2 3.4Å; Y96-Y100 PolarHBondContact O-N 3.21Å; Y96-E102 HydrophobicContact CE1-CG 4.04Å; Y96-I104 HydrophobicContact CD1-CB 3.71Å; Y96-I104 HydrophobicContact CD1-CG1 4.05Å; Y96-I104 HydrophobicContact CD2-CB 4.32Å; Y96-I104 HydrophobicContact CD2-CD1 3.87Å; Y96-I104 HydrophobicContact CD2-CG1 3.78Å; Y96-I104 HydrophobicContact CE1-CB 4.29Å; Y96-I104 HydrophobicContact CE1-CG1 4.44Å; Y96-I104 HydrophobicContact CE2-CG1 4.2Å; Y96-I104 HydrophobicContact CG-CB 3.74Å; Y96-I104 HydrophobicContact CG-CD1 3.93Å; Y96-I104 HydrophobicContact CG-CG1 3.71Å; Y96-Q108 HydrophobicContact CE2-CB 4.27Å; Y96-Q108 HydrophobicContact CE2-CG 4.26Å |
| 97 | Q | 97.6 | Very high | 98 | Very high | 107 Ų | 107 | 71.3 Ų | 71.3 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 179.2 | -173 | 176.4 | 15.9 | 0 | 0 | 112.7 | S93 Q94 G101 E102 | S93-Q97 PolarHBondContact O-N 3.42Å; Q94-Q97 PolarHBondContact O-N 3.22Å; Q97-G101 VanDerWaalsContact O-CA 3.22Å; Q97-G101 WeakPolarHBondContact O-CA 3.34Å; Q97-G101 PolarHBondContact O-N 2.94Å; Q97-E102 VanDerWaalsContact CA-O 3.32Å; Q97-E102 WeakPolarHBondContact CA-O 3.23Å |
| 98 | L | 98.2 | Very high | 98 | Very high | 157 Ų | 157 | 66.8 Ų | 66.8 | 82% | 0.822 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.7 | -37.2 | 175.6 | -178.4 | 62.6 | 0 | 0 | 0 | 112.4 | Q94 A95 Y96 | Q94-L98 WeakPolarHBondContact O-CB 3.32Å; Q94-L98 PolarHBondContact O-N 3.06Å; A95-L98 PolarHBondContact O-N 2.8Å; Y96-L98 VanDerWaalsContact C-N 3.29Å; Y96-L98 PolarHBondContact O-N 3.14Å |
| 99 | A | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 63.5 Ų | 63.5 | 60% | 0.603 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -78.7 | -39.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A95 Y96 | A95-A99 WeakPolarHBondContact O-CB 3.42Å; A95-A99 PolarHBondContact O-N 3.02Å; A95-A99 VanDerWaalsContact O-N 3.09Å; Y96-A99 PolarHBondContact O-N 2.84Å; Y96-A99 VanDerWaalsContact O-N 3.1Å |
| 100 | Y | 97.6 | Very high | 98 | Very high | 141 Ų | 141 | 63.5 Ų | 63.5 | 55% | 0.553 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -110 | -10.6 | -172.3 | -58.6 | -70.7 | 0 | 0 | 0 | 113.8 | Y96 E102 | Y96-Y100 AromaticContact CD1-CD2 3.8Å; Y96-Y100 HydrophobicContact CD1-CD2 3.8Å; Y96-Y100 AromaticContact CD2-CD2 3.6Å; Y96-Y100 HydrophobicContact CD2-CD2 3.6Å; Y96-Y100 AromaticContact CD2-CE2 3.65Å; Y96-Y100 HydrophobicContact CD2-CE2 3.65Å; Y96-Y100 AromaticContact CE1-CD2 3.73Å; Y96-Y100 HydrophobicContact CE1-CD2 3.73Å; Y96-Y100 HydrophobicContact CE1-CG 4.24Å; Y96-Y100 AromaticContact CE2-CD2 3.53Å; Y96-Y100 HydrophobicContact CE2-CD2 3.53Å; Y96-Y100 AromaticContact CE2-CE2 3.58Å; Y96-Y100 HydrophobicContact CE2-CE2 3.58Å; Y96-Y100 AromaticContact CG-CD2 3.72Å; Y96-Y100 HydrophobicContact CG-CD2 3.72Å; Y96-Y100 HydrophobicContact CG-CE2 4.19Å; Y96-Y100 AromaticContact CZ-CD2 3.59Å; Y96-Y100 WeakPolarHBondContact O-CD2 3.4Å; Y96-Y100 PolarHBondContact O-N 3.21Å; Y100-E102 PolarHBondContact O-N 3.24Å |
| 101 | G | 97.2 | Very high | 98 | Very high | 66 Ų | 66 | 62 Ų | 62 | 68% | 0.68 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 76.6 | 2.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q97 | Q97-G101 VanDerWaalsContact O-CA 3.22Å; Q97-G101 WeakPolarHBondContact O-CA 3.34Å; Q97-G101 PolarHBondContact O-N 2.94Å |
| 102 | E | 96 | Very high | 98 | Very high | 84 Ų | 84 | 58.7 Ų | 58.7 | 39% | 0.393 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -131.2 | 156.4 | -176.5 | 69.6 | -170.6 | 142.4 | 0 | 0 | 112.7 | Y96 Q97 Y100 | Y96-E102 HydrophobicContact CE1-CG 4.04Å; Q97-E102 VanDerWaalsContact CA-O 3.32Å; Q97-E102 WeakPolarHBondContact CA-O 3.23Å; Y100-E102 PolarHBondContact O-N 3.24Å |
| 103 | P | 96.1 | Very high | 98 | Very high | 61 Ų | 61 | 58.1 Ų | 58.1 | 40% | 0.396 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 140 | 176.1 | -19.6 | 32.8 | 0 | 0 | 0 | 111.9 | ||
| 104 | I | 98.2 | Very high | 98 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.046 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 138.3 | 174 | -164.3 | 169.4 | 0 | 0 | 0 | 111.2 | T68 I71 Y96 Q108 L109 | T68-I104 HydrophobicContact CG2-CG2 4.2Å; I71-I104 HydrophobicContact CD1-CG2 4.1Å; Y96-I104 HydrophobicContact CD1-CB 3.71Å; Y96-I104 HydrophobicContact CD1-CG1 4.05Å; Y96-I104 HydrophobicContact CD2-CB 4.32Å; Y96-I104 HydrophobicContact CD2-CD1 3.87Å; Y96-I104 HydrophobicContact CD2-CG1 3.78Å; Y96-I104 HydrophobicContact CE1-CB 4.29Å; Y96-I104 HydrophobicContact CE1-CG1 4.44Å; Y96-I104 HydrophobicContact CE2-CG1 4.2Å; Y96-I104 HydrophobicContact CG-CB 3.74Å; Y96-I104 HydrophobicContact CG-CD1 3.93Å; Y96-I104 HydrophobicContact CG-CG1 3.71Å; I104-Q108 HydrophobicContact CD1-CB 4Å; I104-Q108 HydrophobicContact CG1-CB 3.55Å; I104-L109 HydrophobicContact CD1-CB 4.02Å; I104-L109 HydrophobicContact CD1-CD1 4.23Å; I104-L109 HydrophobicContact CG1-CB 4.34Å; I104-L109 HydrophobicContact CG2-CB 4.34Å |
| 105 | S | 97.8 | Very high | 98 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 157.8 | 172.1 | 78.4 | 0 | 0 | 0 | 0 | 111.7 | E107 Q108 L109 | S105-E107 PolarHBondContact O-N 3.45Å; S105-Q108 PolarHBondContact O-N 3.12Å; S105-Q108 WeakPolarHBondContact OG-CG 3.34Å; S105-Q108 PolarHBondContact OG-N 3.46Å; S105-L109 PolarHBondContact O-N 3.1Å |
| 106 | P | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.6 | -37 | 175.5 | -23.6 | 33.8 | 0 | 0 | 0 | 112.7 | I71 L109 V110 F146 Y148 | I71-P106 HydrophobicContact CD1-CG 4.35Å; I71-P106 HydrophobicContact CG1-CG 4.24Å; P106-L109 PolarHBondContact O-N 2.91Å; P106-V110 PolarHBondContact O-N 3.01Å; P106-F146 HydrophobicContact CB-CB 4.31Å; P106-Y148 HydrophobicContact CB-CD2 4.31Å; P106-Y148 HydrophobicContact CB-CE2 4.11Å |
| 107 | E | 98 | Very high | 98 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.5 | -50 | 177.5 | -173.4 | 172.2 | -155.2 | 0 | 0 | 112.1 | S105 L109 V110 I111 Y148 | S105-E107 PolarHBondContact O-N 3.45Å; E107-L109 PolarHBondContact O-N 2.99Å; E107-V110 VanDerWaalsContact O-CG1 3.27Å; E107-V110 WeakPolarHBondContact O-CG1 3.44Å; E107-V110 PolarHBondContact O-N 2.95Å; E107-I111 HydrophobicContact CG-CD1 4.01Å; E107-I111 VanDerWaalsContact O-CG1 3.31Å; E107-I111 WeakPolarHBondContact O-CG1 3.26Å; E107-I111 PolarHBondContact O-N 3.15Å; E107-Y148 HydrophobicContact CB-CE2 4.29Å; E107-Y148 WeakPolarHBondContact CB-OH 3.41Å |
| 108 | Q | 98 | Very high | 98 | Very high | 69 Ų | 69 | 50 Ų | 50 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.5 | -35.1 | 179.2 | -71.2 | -61.2 | -44.2 | 0 | 0 | 111.6 | Y96 I104 S105 R112 | Y96-Q108 HydrophobicContact CE2-CB 4.27Å; Y96-Q108 HydrophobicContact CE2-CG 4.26Å; I104-Q108 HydrophobicContact CD1-CB 4Å; I104-Q108 HydrophobicContact CG1-CB 3.55Å; S105-Q108 PolarHBondContact O-N 3.12Å; S105-Q108 WeakPolarHBondContact OG-CG 3.34Å; S105-Q108 PolarHBondContact OG-N 3.46Å; Q108-R112 WeakPolarHBondContact O-CG 3.4Å; Q108-R112 PolarHBondContact O-N 3.24Å |
| 109 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67 | -48.4 | 175.1 | -176.8 | 65.8 | 0 | 0 | 0 | 111.9 | V67 I71 A89 S93 I104 S105 P106 E107 I111 R112 I113 V135 | V67-L109 HydrophobicContact CB-CD2 4.43Å; V67-L109 HydrophobicContact CG1-CD2 3.93Å; I71-L109 HydrophobicContact CB-CD2 4.44Å; I71-L109 HydrophobicContact CD1-CB 4.3Å; I71-L109 HydrophobicContact CD1-CD2 3.91Å; I71-L109 HydrophobicContact CG2-CD2 3.72Å; A89-L109 HydrophobicContact CB-CD1 4.09Å; S93-L109 WeakPolarHBondContact OG-CD1 3.39Å; I104-L109 HydrophobicContact CD1-CB 4.02Å; I104-L109 HydrophobicContact CD1-CD1 4.23Å; I104-L109 HydrophobicContact CG1-CB 4.34Å; I104-L109 HydrophobicContact CG2-CB 4.34Å; S105-L109 PolarHBondContact O-N 3.1Å; P106-L109 PolarHBondContact O-N 2.91Å; E107-L109 PolarHBondContact O-N 2.99Å; L109-I111 VanDerWaalsContact C-N 3.29Å; L109-I111 PolarHBondContact O-N 3.21Å; L109-R112 PolarHBondContact O-N 2.88Å; L109-R112 VanDerWaalsContact O-N 3.15Å; L109-I113 HydrophobicContact CD1-CD1 4.12Å; L109-I113 HydrophobicContact CD1-CG1 4.41Å; L109-I113 HydrophobicContact CD2-CD1 4.24Å; L109-I113 HydrophobicContact CG-CD1 3.77Å; L109-I113 HydrophobicContact CG-CG1 4.45Å; L109-I113 WeakPolarHBondContact O-CG1 3.28Å; L109-I113 PolarHBondContact O-N 2.73Å; L109-V135 HydrophobicContact CD2-CG1 4.36Å |
| 110 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -36.4 | -178.2 | 75.4 | 0 | 0 | 0 | 0 | 111.3 | P106 E107 R112 I113 A114 V135 Y148 C150 Y156 | P106-V110 PolarHBondContact O-N 3.01Å; E107-V110 VanDerWaalsContact O-CG1 3.27Å; E107-V110 WeakPolarHBondContact O-CG1 3.44Å; E107-V110 PolarHBondContact O-N 2.95Å; V110-R112 VanDerWaalsContact C-N 3.34Å; V110-R112 PolarHBondContact O-N 2.97Å; V110-I113 PolarHBondContact O-N 2.78Å; V110-A114 WeakPolarHBondContact O-CB 3.29Å; V110-A114 PolarHBondContact O-N 2.99Å; V110-V135 HydrophobicContact CG2-CG2 4.22Å; V110-Y148 HydrophobicContact CB-CG 4.35Å; V110-Y148 HydrophobicContact CG1-CD1 3.86Å; V110-Y148 HydrophobicContact CG1-CD2 4.22Å; V110-Y148 HydrophobicContact CG1-CE1 4.26Å; V110-Y148 HydrophobicContact CG1-CG 3.84Å; V110-C150 HydrophobicContact CG2-CB 3.97Å; V110-Y156 HydrophobicContact CG1-CD2 3.66Å; V110-Y156 HydrophobicContact CG1-CE2 4.03Å; V110-Y156 HydrophobicContact CG1-CG 4.18Å; V110-Y156 HydrophobicContact CG2-CD2 4.34Å; V110-Y156 HydrophobicContact CG2-CG 4.13Å |
| 111 | I | 98.6 | Very high | 97.7 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.4 | -46.2 | 173.5 | -71.2 | 165.2 | 0 | 0 | 0 | 111.2 | E107 L109 A114 A115 Y156 | E107-I111 HydrophobicContact CG-CD1 4.01Å; E107-I111 VanDerWaalsContact O-CG1 3.31Å; E107-I111 WeakPolarHBondContact O-CG1 3.26Å; E107-I111 PolarHBondContact O-N 3.15Å; L109-I111 VanDerWaalsContact C-N 3.29Å; L109-I111 PolarHBondContact O-N 3.21Å; I111-A114 PolarHBondContact O-N 2.84Å; I111-A115 WeakPolarHBondContact O-CB 3.39Å; I111-A115 PolarHBondContact O-N 3.43Å; I111-Y156 HydrophobicContact CG1-CE1 4.13Å; I111-Y156 HydrophobicContact CG1-CE2 4.19Å; I111-Y156 VanDerWaalsContact CG1-OH 3.29Å; I111-Y156 WeakPolarHBondContact CG1-OH 3.49Å |
| 112 | R | 98.5 | Very high | 97.6 | Very high | 73 Ų | 73 | 43.2 Ų | 43.2 | 28% | 0.275 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.6 | -37.5 | -179.8 | -70.5 | -179.8 | -179.2 | -141.2 | -7 | 112.4 | S92 Q108 L109 V110 V116 | S92-R112 PolarHBondContact O-NH1 3.33Å; Q108-R112 WeakPolarHBondContact O-CG 3.4Å; Q108-R112 PolarHBondContact O-N 3.24Å; L109-R112 PolarHBondContact O-N 2.88Å; L109-R112 VanDerWaalsContact O-N 3.15Å; V110-R112 VanDerWaalsContact C-N 3.34Å; V110-R112 PolarHBondContact O-N 2.97Å; R112-V116 WeakPolarHBondContact O-CG2 3.43Å; R112-V116 PolarHBondContact O-N 2.69Å |
| 113 | I | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70 | -45.2 | 176.6 | -65 | 166.3 | 0 | 0 | 0 | 110.3 | M73 L85 A89 L109 V110 A115 V116 M117 L133 | M73-I113 HydrophobicContact CE-CD1 3.9Å; M73-I113 HydrophobicContact SD-CD1 3.61Å; L85-I113 HydrophobicContact CD2-CG2 4.43Å; A89-I113 HydrophobicContact CB-CD1 3.64Å; A89-I113 HydrophobicContact CB-CG1 4.03Å; L109-I113 HydrophobicContact CD1-CD1 4.12Å; L109-I113 HydrophobicContact CD1-CG1 4.41Å; L109-I113 HydrophobicContact CD2-CD1 4.24Å; L109-I113 HydrophobicContact CG-CD1 3.77Å; L109-I113 HydrophobicContact CG-CG1 4.45Å; L109-I113 WeakPolarHBondContact O-CG1 3.28Å; L109-I113 PolarHBondContact O-N 2.73Å; V110-I113 PolarHBondContact O-N 2.78Å; I113-A115 VanDerWaalsContact C-N 3.31Å; I113-A115 PolarHBondContact O-N 3.18Å; I113-V116 WeakPolarHBondContact O-CB 3.18Å; I113-V116 PolarHBondContact O-N 3.31Å; I113-V116 VanDerWaalsContact O-N 3.11Å; I113-M117 HydrophobicContact CG2-CG 4.34Å; I113-M117 HydrophobicContact CG2-SD 3.95Å; I113-M117 WeakPolarHBondContact O-CG 3.29Å; I113-M117 PolarHBondContact O-N 2.88Å; I113-L133 HydrophobicContact CG2-CD1 3.58Å |
| 114 | A | 98.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.1 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V110 I111 V116 M117 Q118 G154 Y156 | V110-A114 WeakPolarHBondContact O-CB 3.29Å; V110-A114 PolarHBondContact O-N 2.99Å; I111-A114 PolarHBondContact O-N 2.84Å; A114-V116 VanDerWaalsContact C-N 3.33Å; A114-V116 PolarHBondContact O-N 3.12Å; A114-M117 PolarHBondContact O-N 2.85Å; A114-Q118 VanDerWaalsContact O-CB 3.25Å; A114-Q118 WeakPolarHBondContact O-CB 3.21Å; A114-Q118 PolarHBondContact O-N 3.17Å; A114-G154 VanDerWaalsContact CB-O 3.26Å; A114-G154 WeakPolarHBondContact CB-O 3.48Å; A114-G154 WeakPolarHBondContact O-CA 3.31Å; A114-Y156 HydrophobicContact CB-CD1 3.51Å; A114-Y156 HydrophobicContact CB-CE1 4.12Å; A114-Y156 HydrophobicContact CB-CG 4.36Å |
| 115 | A | 98.5 | Very high | 96.8 | Very high | 56 Ų | 56 | 45.6 Ų | 45.6 | 46% | 0.463 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I111 I113 Q118 E119 | I111-A115 WeakPolarHBondContact O-CB 3.39Å; I111-A115 PolarHBondContact O-N 3.43Å; I113-A115 VanDerWaalsContact C-N 3.31Å; I113-A115 PolarHBondContact O-N 3.18Å; A115-Q118 PolarHBondContact O-N 2.96Å; A115-E119 WeakPolarHBondContact O-CB 3.34Å; A115-E119 PolarHBondContact O-N 2.96Å |
| 116 | V | 98.3 | Very high | 96.6 | Very high | 23 Ų | 23 | 47.1 Ų | 47.1 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 175.9 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L85 Q88 R112 I113 A114 E119 Y120 F129 | L85-V116 HydrophobicContact CD2-CG1 4.3Å; Q88-V116 HydrophobicContact CG-CG1 4.32Å; Q88-V116 HydrophobicContact CG-CG2 3.87Å; R112-V116 WeakPolarHBondContact O-CG2 3.43Å; R112-V116 PolarHBondContact O-N 2.69Å; I113-V116 WeakPolarHBondContact O-CB 3.18Å; I113-V116 PolarHBondContact O-N 3.31Å; I113-V116 VanDerWaalsContact O-N 3.11Å; A114-V116 VanDerWaalsContact C-N 3.33Å; A114-V116 PolarHBondContact O-N 3.12Å; V116-E119 PolarHBondContact O-N 3.43Å; V116-Y120 HydrophobicContact CG1-CE2 4.36Å; V116-Y120 WeakPolarHBondContact O-CD2 3.45Å; V116-Y120 PolarHBondContact O-N 2.88Å; V116-F129 HydrophobicContact CG1-CE2 4.32Å; V116-F129 HydrophobicContact CG1-CZ 4.48Å |
| 117 | M | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 178.5 | -69.1 | 177.9 | 72.2 | 0 | 0 | 111.7 | L85 I113 A114 Y120 F129 V131 L133 C150 D151 | L85-M117 HydrophobicContact CD1-CE 4.26Å; L85-M117 HydrophobicContact CD1-CG 4.06Å; L85-M117 HydrophobicContact CD1-SD 3.94Å; L85-M117 HydrophobicContact CD2-CG 3.73Å; L85-M117 HydrophobicContact CD2-SD 4.47Å; I113-M117 HydrophobicContact CG2-CG 4.34Å; I113-M117 HydrophobicContact CG2-SD 3.95Å; I113-M117 WeakPolarHBondContact O-CG 3.29Å; I113-M117 PolarHBondContact O-N 2.88Å; A114-M117 PolarHBondContact O-N 2.85Å; M117-Y120 PolarHBondContact O-N 3.31Å; M117-F129 HydrophobicContact CB-CD2 4.22Å; M117-F129 HydrophobicContact CE-CB 4.34Å; M117-F129 HydrophobicContact CG-CD2 3.9Å; M117-F129 HydrophobicContact CG-CE2 4.38Å; M117-V131 HydrophobicContact CE-CG2 4.48Å; M117-V131 WeakPolarHBondContact CE-O 3.48Å; M117-L133 HydrophobicContact SD-CD1 3.73Å; M117-L133 HydrophobicContact SD-CG 4.38Å; M117-C150 HydrophobicContact SD-CB 4.46Å; M117-D151 VanDerWaalsContact CE-O 3.24Å; M117-D151 WeakPolarHBondContact CE-O 3.02Å |
| 118 | Q | 97.5 | Very high | 96.5 | Very high | 74 Ų | 74 | 49.2 Ų | 49.2 | 35% | 0.346 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 178 | -167.8 | -83 | -18.8 | 0 | 0 | 111.8 | A114 A115 Y120 T121 Q122 S153 | A114-Q118 VanDerWaalsContact O-CB 3.25Å; A114-Q118 WeakPolarHBondContact O-CB 3.21Å; A114-Q118 PolarHBondContact O-N 3.17Å; A115-Q118 PolarHBondContact O-N 2.96Å; Q118-Y120 PolarHBondContact O-N 2.85Å; Q118-T121 WeakPolarHBondContact O-CB 3.38Å; Q118-T121 PolarHBondContact O-N 3.38Å; Q118-T121 PolarHBondContact O-OG1 2.81Å; Q118-Q122 VanDerWaalsContact CD-NE2 3.28Å; Q118-Q122 WeakPolarHBondContact O-CG 3.37Å; Q118-S153 WeakPolarHBondContact CG-O 3.47Å |
| 119 | E | 97.3 | Very high | 96.5 | Very high | 102 Ų | 102 | 46.3 Ų | 46.3 | 48% | 0.477 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.8 | -37.8 | 174.7 | -175.2 | 179.2 | 177.9 | 0 | 0 | 111.4 | A115 V116 T121 Q122 S123 | A115-E119 WeakPolarHBondContact O-CB 3.34Å; A115-E119 PolarHBondContact O-N 2.96Å; V116-E119 PolarHBondContact O-N 3.43Å; E119-T121 PolarHBondContact O-N 3.23Å; E119-T121 VanDerWaalsContact O-N 3.15Å; E119-Q122 WeakPolarHBondContact O-CG 3.35Å; E119-Q122 PolarHBondContact O-N 3.41Å; E119-S123 WeakPolarHBondContact CG-OG 3.21Å; E119-S123 WeakPolarHBondContact O-CB 3.26Å; E119-S123 PolarHBondContact O-N 3.37Å; E119-S123 PolarHBondContact O-OG 3.43Å |
| 120 | Y | 96.4 | Very high | 96.5 | Very high | 79 Ų | 79 | 46.4 Ų | 46.4 | 31% | 0.31 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -5.1 | 176.9 | -82 | -119.8 | 0 | 0 | 0 | 114.1 | V116 M117 Q118 V126 R127 F129 | V116-Y120 HydrophobicContact CG1-CE2 4.36Å; V116-Y120 WeakPolarHBondContact O-CD2 3.45Å; V116-Y120 PolarHBondContact O-N 2.88Å; M117-Y120 PolarHBondContact O-N 3.31Å; Q118-Y120 PolarHBondContact O-N 2.85Å; Y120-V126 HydrophobicContact CD1-CB 3.75Å; Y120-V126 HydrophobicContact CD1-CG1 4.15Å; Y120-V126 HydrophobicContact CD1-CG2 4Å; Y120-V126 HydrophobicContact CE1-CB 4.05Å; Y120-V126 HydrophobicContact CE1-CG1 3.95Å; Y120-V126 HydrophobicContact CG-CB 4.41Å; Y120-V126 HydrophobicContact CG-CG2 4.16Å; Y120-R127 WeakPolarHBondContact CD1-O 3.3Å; Y120-R127 CarbonylContact O-C 3.52Å; Y120-F129 HydrophobicContact CD1-CD2 4.31Å; Y120-F129 HydrophobicContact CD1-CE1 4.49Å; Y120-F129 AromaticContact CD1-CE2 3.65Å; Y120-F129 HydrophobicContact CD1-CE2 3.65Å; Y120-F129 AromaticContact CD1-CZ 3.75Å; Y120-F129 HydrophobicContact CD1-CZ 3.75Å; Y120-F129 AromaticContact CD2-CE2 3.58Å; Y120-F129 HydrophobicContact CD2-CE2 3.58Å; Y120-F129 HydrophobicContact CD2-CZ 4.01Å; Y120-F129 HydrophobicContact CE1-CE1 4.36Å; Y120-F129 HydrophobicContact CE1-CE2 4.05Å; Y120-F129 AromaticContact CE1-CZ 3.68Å; Y120-F129 HydrophobicContact CE1-CZ 3.68Å; Y120-F129 AromaticContact CE2-CE2 3.99Å; Y120-F129 HydrophobicContact CE2-CE2 3.99Å; Y120-F129 AromaticContact CE2-CZ 3.94Å; Y120-F129 HydrophobicContact CE2-CZ 3.94Å; Y120-F129 HydrophobicContact CG-CD2 4.1Å; Y120-F129 AromaticContact CG-CE2 3.39Å; Y120-F129 HydrophobicContact CG-CE2 3.39Å; Y120-F129 AromaticContact CG-CZ 3.92Å; Y120-F129 HydrophobicContact CG-CZ 3.92Å; Y120-F129 AromaticContact CZ-CZ 3.77Å |
| 121 | T | 95 | Very high | 96.5 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -2.3 | 171 | 81.9 | 0 | 0 | 0 | 0 | 113.2 | L9 I21 Q118 E119 P128 | L9-T121 CarbonylContact C-O 3.52Å; L9-T121 WeakPolarHBondContact CB-O 3.39Å; I21-T121 HydrophobicContact CD1-CG2 3.9Å; I21-T121 HydrophobicContact CG1-CG2 4.17Å; Q118-T121 WeakPolarHBondContact O-CB 3.38Å; Q118-T121 PolarHBondContact O-N 3.38Å; Q118-T121 PolarHBondContact O-OG1 2.81Å; E119-T121 PolarHBondContact O-N 3.23Å; E119-T121 VanDerWaalsContact O-N 3.15Å; T121-P128 HydrophobicContact CG2-CB 4.43Å; T121-P128 HydrophobicContact CG2-CG 4.42Å |
| 122 | Q | 93.3 | Very high | 96.5 | Very high | 105 Ų | 105 | 43.8 Ų | 43.8 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.7 | -14.8 | -175.3 | 43.8 | 170 | -0.5 | 0 | 0 | 114.4 | T10 Q118 E119 | T10-Q122 HydrophobicContact CG2-CB 3.94Å; Q118-Q122 VanDerWaalsContact CD-NE2 3.28Å; Q118-Q122 WeakPolarHBondContact O-CG 3.37Å; E119-Q122 WeakPolarHBondContact O-CG 3.35Å; E119-Q122 PolarHBondContact O-N 3.41Å |
| 123 | S | 92.9 | Very high | 96.5 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -76.6 | 139.9 | 173.2 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | L9 E119 V126 | L9-S123 VanDerWaalsContact CD1-O 3.26Å; L9-S123 WeakPolarHBondContact CD1-O 3.35Å; E119-S123 WeakPolarHBondContact CG-OG 3.21Å; E119-S123 WeakPolarHBondContact O-CB 3.26Å; E119-S123 PolarHBondContact O-N 3.37Å; E119-S123 PolarHBondContact O-OG 3.43Å; S123-V126 VanDerWaalsContact O-CG2 3.25Å; S123-V126 WeakPolarHBondContact O-CG2 3.45Å |
| 124 | G | 89.4 | Confident | 96.5 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 76% | 0.763 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 146.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V126 | G124-V126 VanDerWaalsContact C-N 3.29Å; G124-V126 PolarHBondContact O-N 3.45Å |
| 125 | G | 91.6 | Very high | 96.5 | Very high | 90 Ų | 90 | 40 Ų | 40 | 93% | 0.928 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79 | 4.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 126 | V | 94.9 | Very high | 96.5 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 33% | 0.333 | 22% | 0.222 | S | C | . | . | trans | -117.5 | 176 | 174.2 | -62.9 | 0 | 0 | 0 | 0 | 111 | L9 Y120 S123 G124 | L9-V126 WeakPolarHBondContact CD1-O 3.04Å; Y120-V126 HydrophobicContact CD1-CB 3.75Å; Y120-V126 HydrophobicContact CD1-CG1 4.15Å; Y120-V126 HydrophobicContact CD1-CG2 4Å; Y120-V126 HydrophobicContact CE1-CB 4.05Å; Y120-V126 HydrophobicContact CE1-CG1 3.95Å; Y120-V126 HydrophobicContact CG-CB 4.41Å; Y120-V126 HydrophobicContact CG-CG2 4.16Å; S123-V126 VanDerWaalsContact O-CG2 3.25Å; S123-V126 WeakPolarHBondContact O-CG2 3.45Å; G124-V126 VanDerWaalsContact C-N 3.29Å; G124-V126 PolarHBondContact O-N 3.45Å | ||
| 127 | R | 95 | Very high | 96.5 | Very high | 120 Ų | 120 | 36.3 Ų | 36.3 | 45% | 0.453 | 22% | 0.215 | S | C | . | . | trans | -128.6 | 155.1 | 170 | 56.7 | 165.1 | -178.2 | 75.1 | 1.3 | 109.2 | D81 Y120 | D81-R127 IonicContact OD1-CZ 2.73Å; D81-R127 IonicContact OD1-NH1 3.52Å; D81-R127 PolarHBondContact OD1-NH1 3.49Å; D81-R127 IonicContact OD1-NH2 3.56Å; D81-R127 PolarHBondContact OD1-NH2 3.03Å; D81-R127 IonicContact OD2-CZ 2.69Å; D81-R127 IonicContact OD2-NH1 3.25Å; D81-R127 PolarHBondContact OD2-NH1 3.12Å; D81-R127 IonicContact OD2-NH2 2.76Å; Y120-R127 WeakPolarHBondContact CD1-O 3.3Å; Y120-R127 CarbonylContact O-C 3.52Å | ||
| 128 | P | 97.6 | Very high | 96.5 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | trans | -56.9 | 150.2 | 171.2 | -23.4 | 35.2 | 0 | 0 | 0 | 110.7 | L9 Q20 I21 A24 T121 G130 | L9-P128 HydrophobicContact CD2-CG 3.99Å; Q20-P128 HydrophobicContact CB-CG 4.1Å; I21-P128 HydrophobicContact CG1-CG 4.42Å; A24-P128 HydrophobicContact CB-CB 4.11Å; T121-P128 HydrophobicContact CG2-CB 4.43Å; T121-P128 HydrophobicContact CG2-CG 4.42Å; P128-G130 PolarHBondContact O-N 2.87Å | ||
| 129 | F | 98.5 | Very high | 96.5 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | trans | -68.5 | 126.7 | 174.1 | -66.5 | -84.4 | 0 | 0 | 0 | 109.4 | D81 V84 L85 V116 M117 Y120 V131 P152 | D81-F129 HydrophobicContact CB-CB 4.41Å; D81-F129 HydrophobicContact CB-CD1 3.86Å; D81-F129 WeakPolarHBondContact OD2-CA 3.37Å; V84-F129 HydrophobicContact CB-CE1 4.27Å; V84-F129 HydrophobicContact CG1-CE1 4.03Å; V84-F129 HydrophobicContact CG1-CZ 4.36Å; L85-F129 HydrophobicContact CD1-CB 4.2Å; L85-F129 HydrophobicContact CD1-CD1 4.01Å; L85-F129 HydrophobicContact CD1-CD2 4.48Å; L85-F129 HydrophobicContact CD1-CG 3.99Å; L85-F129 HydrophobicContact CD2-CD1 4.21Å; L85-F129 HydrophobicContact CD2-CD2 4.11Å; L85-F129 HydrophobicContact CD2-CE1 3.97Å; L85-F129 HydrophobicContact CD2-CE2 3.85Å; L85-F129 HydrophobicContact CD2-CG 4.28Å; L85-F129 HydrophobicContact CD2-CZ 3.77Å; L85-F129 HydrophobicContact CG-CD1 4.02Å; L85-F129 HydrophobicContact CG-CE1 4.03Å; L85-F129 HydrophobicContact CG-CG 4.34Å; L85-F129 HydrophobicContact CG-CZ 4.36Å; V116-F129 HydrophobicContact CG1-CE2 4.32Å; V116-F129 HydrophobicContact CG1-CZ 4.48Å; M117-F129 HydrophobicContact CB-CD2 4.22Å; M117-F129 HydrophobicContact CE-CB 4.34Å; M117-F129 HydrophobicContact CG-CD2 3.9Å; M117-F129 HydrophobicContact CG-CE2 4.38Å; Y120-F129 HydrophobicContact CD1-CD2 4.31Å; Y120-F129 HydrophobicContact CD1-CE1 4.49Å; Y120-F129 AromaticContact CD1-CE2 3.65Å; Y120-F129 HydrophobicContact CD1-CE2 3.65Å; Y120-F129 AromaticContact CD1-CZ 3.75Å; Y120-F129 HydrophobicContact CD1-CZ 3.75Å; Y120-F129 AromaticContact CD2-CE2 3.58Å; Y120-F129 HydrophobicContact CD2-CE2 3.58Å; Y120-F129 HydrophobicContact CD2-CZ 4.01Å; Y120-F129 HydrophobicContact CE1-CE1 4.36Å; Y120-F129 HydrophobicContact CE1-CE2 4.05Å; Y120-F129 AromaticContact CE1-CZ 3.68Å; Y120-F129 HydrophobicContact CE1-CZ 3.68Å; Y120-F129 AromaticContact CE2-CE2 3.99Å; Y120-F129 HydrophobicContact CE2-CE2 3.99Å; Y120-F129 AromaticContact CE2-CZ 3.94Å; Y120-F129 HydrophobicContact CE2-CZ 3.94Å; Y120-F129 HydrophobicContact CG-CD2 4.1Å; Y120-F129 AromaticContact CG-CE2 3.39Å; Y120-F129 HydrophobicContact CG-CE2 3.39Å; Y120-F129 AromaticContact CG-CZ 3.92Å; Y120-F129 HydrophobicContact CG-CZ 3.92Å; Y120-F129 AromaticContact CZ-CZ 3.77Å; F129-V131 HydrophobicContact CB-CG2 4.09Å; F129-V131 PolarHBondContact O-N 3.08Å; F129-P152 VanDerWaalsContact O-CB 3.24Å; F129-P152 WeakPolarHBondContact O-CB 3.33Å; F129-P152 VanDerWaalsContact O-CG 3.32Å; F129-P152 WeakPolarHBondContact O-CG 3.49Å | ||
| 130 | G | 98.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -80.6 | 43.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G77 L78 D81 P128 | G77-G130 CarbonylContact C-O 3.48Å; G77-G130 VanDerWaalsContact CA-O 3.26Å; G77-G130 WeakPolarHBondContact CA-O 3.47Å; L78-G130 PolarHBondContact N-O 2.86Å; D81-G130 PolarHBondContact OD2-N 3.06Å; P128-G130 PolarHBondContact O-N 2.87Å |
| 131 | V | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 144.1 | -179.9 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | V28 Y75 S76 L78 D81 L85 M117 F129 L133 P152 | V28-V131 VanDerWaalsContact CG2-C 3.44Å; Y75-V131 HydrophobicContact CD2-CB 4.36Å; Y75-V131 HydrophobicContact CD2-CG1 3.66Å; Y75-V131 HydrophobicContact CE2-CG1 4.4Å; Y75-V131 HydrophobicContact CG-CG1 4.42Å; S76-V131 WeakPolarHBondContact O-CA 3.28Å; L78-V131 HydrophobicContact CB-CG1 4.49Å; L78-V131 WeakPolarHBondContact O-CG1 3.31Å; D81-V131 HydrophobicContact CB-CG1 3.98Å; D81-V131 HydrophobicContact CB-CG2 4.35Å; L85-V131 HydrophobicContact CD1-CG2 3.55Å; M117-V131 HydrophobicContact CE-CG2 4.48Å; M117-V131 WeakPolarHBondContact CE-O 3.48Å; F129-V131 HydrophobicContact CB-CG2 4.09Å; F129-V131 PolarHBondContact O-N 3.08Å; V131-L133 HydrophobicContact CG2-CD2 4.06Å; V131-L133 HydrophobicContact CG2-CG 4.49Å; V131-P152 WeakPolarHBondContact O-CD 3.5Å; V131-P152 WeakPolarHBondContact O-CG 3.32Å |
| 132 | S | 98.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.2 | 157.3 | -69 | 0 | 0 | 0 | 0 | 108 | V28 Y75 S76 C150 D151 | V28-S132 VanDerWaalsContact CG2-N 3.27Å; Y75-S132 VanDerWaalsContact CA-O 3.28Å; Y75-S132 WeakPolarHBondContact CA-O 3.31Å; S76-S132 PolarHBondContact N-O 2.9Å; S76-S132 PolarHBondContact O-N 3.31Å; S132-C150 CarbonylContact C-O 3.6Å; S132-C150 WeakPolarHBondContact CA-O 3.45Å; S132-D151 VanDerWaalsContact CB-OD1 3.27Å; S132-D151 WeakPolarHBondContact CB-OD1 3.32Å; S132-D151 PolarHBondContact OG-OD1 2.73Å |
| 133 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 146.2 | -176.8 | -56.4 | 174.4 | 0 | 0 | 0 | 110 | M73 V74 Y82 L85 I113 M117 V131 Q149 C150 | M73-L133 HydrophobicContact CE-CB 4.47Å; M73-L133 HydrophobicContact CE-CD1 3.62Å; M73-L133 HydrophobicContact CE-CD2 4.05Å; M73-L133 HydrophobicContact CE-CG 4.27Å; V74-L133 CarbonylContact O-C 3.53Å; V74-L133 WeakPolarHBondContact O-CA 3.29Å; Y82-L133 HydrophobicContact CD2-CD2 3.7Å; Y82-L133 HydrophobicContact CE2-CD2 4.17Å; L85-L133 HydrophobicContact CD1-CD1 3.95Å; L85-L133 HydrophobicContact CD1-CD2 4.29Å; L85-L133 HydrophobicContact CD1-CG 4.42Å; I113-L133 HydrophobicContact CG2-CD1 3.58Å; M117-L133 HydrophobicContact SD-CD1 3.73Å; M117-L133 HydrophobicContact SD-CG 4.38Å; V131-L133 HydrophobicContact CG2-CD2 4.06Å; V131-L133 HydrophobicContact CG2-CG 4.49Å; L133-Q149 CarbonylContact O-C 3.55Å; L133-Q149 VanDerWaalsContact O-CA 3.26Å; L133-Q149 WeakPolarHBondContact O-CA 3.37Å; L133-C150 HydrophobicContact CB-CB 4.35Å; L133-C150 PolarHBondContact N-O 2.95Å; L133-C150 PolarHBondContact O-N 2.89Å |
| 134 | L | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.4 | 154.6 | -52.6 | 174.5 | 0 | 0 | 0 | 108.9 | L45 M73 V74 L147 Y148 Q149 T162 L164 | L45-L134 HydrophobicContact CD2-CB 3.81Å; L45-L134 HydrophobicContact CD2-CD1 4.22Å; M73-L134 CarbonylContact C-O 3.57Å; M73-L134 VanDerWaalsContact CA-O 3.28Å; M73-L134 WeakPolarHBondContact CA-O 3.26Å; V74-L134 HydrophobicContact CG1-CB 3.65Å; V74-L134 HydrophobicContact CG1-CD1 4.1Å; V74-L134 HydrophobicContact CG1-CG 4.15Å; V74-L134 PolarHBondContact N-O 3.24Å; V74-L134 PolarHBondContact O-N 2.79Å; L134-L147 HydrophobicContact CB-CD1 4.09Å; L134-Y148 CarbonylContact C-O 3.55Å; L134-Y148 VanDerWaalsContact CA-O 3.25Å; L134-Y148 WeakPolarHBondContact CA-O 3.17Å; L134-Q149 HydrophobicContact CD2-CB 3.85Å; L134-Q149 HydrophobicContact CD2-CG 4Å; L134-T162 HydrophobicContact CD1-CG2 4.19Å; L134-T162 HydrophobicContact CD2-CG2 3.35Å; L134-T162 HydrophobicContact CG-CG2 4.43Å; L134-L164 HydrophobicContact CD1-CD1 4.25Å; L134-L164 HydrophobicContact CD1-CG 4.45Å; L134-L164 HydrophobicContact CD2-CD1 3.67Å; L134-L164 HydrophobicContact CD2-CG 4.11Å; L134-L164 HydrophobicContact CG-CD1 3.62Å; L134-L164 HydrophobicContact CG-CG 4.26Å |
| 135 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 116.8 | 176 | -172 | 0 | 0 | 0 | 0 | 107.3 | I71 M73 L109 V110 L147 Y148 | I71-V135 HydrophobicContact CG2-CG1 3.62Å; M73-V135 HydrophobicContact CG-CB 4.41Å; M73-V135 HydrophobicContact CG-CG1 4.16Å; M73-V135 HydrophobicContact CG-CG2 4.06Å; M73-V135 HydrophobicContact SD-CG2 4.43Å; L109-V135 HydrophobicContact CD2-CG1 4.36Å; V110-V135 HydrophobicContact CG2-CG2 4.22Å; V135-L147 WeakPolarHBondContact O-CA 3.48Å; V135-Y148 PolarHBondContact N-O 2.59Å; V135-Y148 PolarHBondContact O-N 3.31Å |
| 136 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | V43 L45 I71 G72 F146 | V43-A136 HydrophobicContact CB-CB 4.35Å; V43-A136 HydrophobicContact CG1-CB 3.71Å; V43-A136 HydrophobicContact CG2-CB 3.66Å; L45-A136 HydrophobicContact CD1-CB 3.56Å; L45-A136 HydrophobicContact CD2-CB 3.88Å; L45-A136 HydrophobicContact CG-CB 3.56Å; I71-A136 CarbonylContact C-O 3.58Å; I71-A136 VanDerWaalsContact CA-O 3.32Å; I71-A136 WeakPolarHBondContact CA-O 3.35Å; G72-A136 PolarHBondContact N-O 3.07Å; G72-A136 PolarHBondContact O-N 3.36Å; A136-F146 WeakPolarHBondContact CA-O 3.12Å |
| 137 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 168.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G70 F146 | G70-G137 WeakPolarHBondContact O-CA 3.28Å; G137-F146 PolarHBondContact N-O 3.06Å; G137-F146 PolarHBondContact O-N 2.73Å |
| 138 | W | 98.1 | Very high | 97.6 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 11% | 0.11 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.1 | 174 | -174.4 | -92.2 | 0 | 0 | 0 | 109.9 | G70 Q143 P145 N215 E216 | G70-W138 PolarHBondContact O-N 3.25Å; W138-Q143 HydrophobicContact CZ2-CB 4.38Å; W138-Q143 WeakPolarHBondContact CZ2-O 3.38Å; W138-P145 HydrophobicContact CE3-CB 4.04Å; W138-P145 HydrophobicContact CZ3-CB 4.22Å; W138-P145 HydrophobicContact CZ3-CG 4.21Å; W138-N215 WeakPolarHBondContact CB-O 3.4Å; W138-E216 HydrophobicContact CD2-CB 4.3Å; W138-E216 HydrophobicContact CH2-CB 4.44Å; W138-E216 HydrophobicContact CZ2-CB 3.91Å |
| 139 | D | 96.9 | Very high | 97.7 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.4 | 170.8 | -167.9 | -63 | 0 | 0 | 0 | 109.3 | D141 L142 Q143 R144 F146 | D139-D141 PolarHBondContact OD1-N 2.8Å; D139-L142 HydrophobicContact CB-CB 4.19Å; D139-L142 PolarHBondContact OD1-N 3.37Å; D139-Q143 VanDerWaalsContact O-CA 3.3Å; D139-Q143 WeakPolarHBondContact O-CA 3.25Å; D139-Q143 PolarHBondContact O-N 2.88Å; D139-R144 PolarHBondContact N-O 2.91Å; D139-R144 PolarHBondContact O-N 2.75Å; D139-F146 HydrophobicContact CB-CD2 3.63Å; D139-F146 HydrophobicContact CB-CE2 3.5Å; D139-F146 VanDerWaalsContact CB-CE2 3.5Å |
| 140 | R | 93.4 | Very high | 97.7 | Very high | 137 Ų | 137 | 32.5 Ų | 32.5 | 52% | 0.517 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -26.4 | -174.3 | -67.4 | -177.2 | 173.6 | -150.3 | -7.7 | 112.9 | Q143 | R140-Q143 PolarHBondContact O-NE2 2.83Š|
| 141 | D | 93.9 | Very high | 97.7 | Very high | 131 Ų | 131 | 34 Ų | 34 | 70% | 0.701 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -40.4 | -179.3 | -59.9 | -32.8 | 0 | 0 | 0 | 109.8 | D139 | D139-D141 PolarHBondContact OD1-N 2.8Š|
| 142 | L | 95.8 | Very high | 97.7 | Very high | 101 Ų | 101 | 34 Ų | 34 | 53% | 0.529 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -7.9 | 178 | -60.2 | 179.7 | 0 | 0 | 0 | 113.8 | D139 R144 F146 | D139-L142 HydrophobicContact CB-CB 4.19Å; D139-L142 PolarHBondContact OD1-N 3.37Å; L142-R144 VanDerWaalsContact C-N 3.29Å; L142-R144 HydrophobicContact CB-CG 3.81Å; L142-R144 PolarHBondContact O-N 2.69Å; L142-F146 HydrophobicContact CD1-CE2 3.91Å; L142-F146 HydrophobicContact CD1-CZ 3.77Å |
| 143 | Q | 95.9 | Very high | 97.6 | Very high | 113 Ų | 113 | 35.4 Ų | 35.4 | 53% | 0.528 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 48.3 | -178.7 | -68.5 | -69.1 | -54.9 | 0 | 0 | 112.6 | W138 D139 R140 | W138-Q143 HydrophobicContact CZ2-CB 4.38Å; W138-Q143 WeakPolarHBondContact CZ2-O 3.38Å; D139-Q143 VanDerWaalsContact O-CA 3.3Å; D139-Q143 WeakPolarHBondContact O-CA 3.25Å; D139-Q143 PolarHBondContact O-N 2.88Å; R140-Q143 PolarHBondContact O-NE2 2.83Å |
| 144 | R | 96.3 | Very high | 97.5 | Very high | 109 Ų | 109 | 35.9 Ų | 35.9 | 41% | 0.411 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 153.7 | -177.2 | 70.3 | -179.8 | -64.7 | 175.2 | 10.5 | 113 | D139 L142 F146 | D139-R144 PolarHBondContact N-O 2.91Å; D139-R144 PolarHBondContact O-N 2.75Å; L142-R144 VanDerWaalsContact C-N 3.29Å; L142-R144 HydrophobicContact CB-CG 3.81Å; L142-R144 PolarHBondContact O-N 2.69Å; R144-F146 HydrophobicContact CG-CD2 4.06Å; R144-F146 HydrophobicContact CG-CE2 3.39Å; R144-F146 HydrophobicContact CG-CZ 3.95Å |
| 145 | P | 98 | Very high | 97.5 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.039 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 149.8 | 175.6 | 32 | -32.9 | 0 | 0 | 0 | 111.6 | R38 A39 G42 V43 W138 | R38-P145 VanDerWaalsContact CD-O 3.23Å; R38-P145 WeakPolarHBondContact CD-O 3.46Å; R38-P145 HydrophobicContact CG-CB 4.13Å; R38-P145 HydrophobicContact CG-CG 3.83Å; A39-P145 WeakPolarHBondContact O-CG 3.5Å; G42-P145 VanDerWaalsContact O-CB 3.29Å; G42-P145 WeakPolarHBondContact O-CB 3.45Å; G42-P145 VanDerWaalsContact O-CG 3.31Å; G42-P145 WeakPolarHBondContact O-CG 3.45Å; V43-P145 HydrophobicContact CB-CB 4.19Å; V43-P145 HydrophobicContact CG1-CB 4.19Å; W138-P145 HydrophobicContact CE3-CB 4.04Å; W138-P145 HydrophobicContact CZ3-CB 4.22Å; W138-P145 HydrophobicContact CZ3-CG 4.21Å |
| 146 | F | 98.4 | Very high | 97.5 | Very high | 21 Ų | 21 | 42.4 Ų | 42.4 | 9% | 0.092 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 140.4 | 172.7 | -77.1 | -88.9 | 0 | 0 | 0 | 111.4 | P106 A136 G137 D139 L142 R144 Y148 | P106-F146 HydrophobicContact CB-CB 4.31Å; A136-F146 WeakPolarHBondContact CA-O 3.12Å; G137-F146 PolarHBondContact N-O 3.06Å; G137-F146 PolarHBondContact O-N 2.73Å; D139-F146 HydrophobicContact CB-CD2 3.63Å; D139-F146 HydrophobicContact CB-CE2 3.5Å; D139-F146 VanDerWaalsContact CB-CE2 3.5Å; L142-F146 HydrophobicContact CD1-CE2 3.91Å; L142-F146 HydrophobicContact CD1-CZ 3.77Å; R144-F146 HydrophobicContact CG-CD2 4.06Å; R144-F146 HydrophobicContact CG-CE2 3.39Å; R144-F146 HydrophobicContact CG-CZ 3.95Å; F146-Y148 HydrophobicContact CB-CD2 4.09Å; F146-Y148 HydrophobicContact CB-CE2 3.59Å; F146-Y148 AromaticContact CD1-CE2 3.84Å; F146-Y148 HydrophobicContact CD1-CE2 3.84Å; F146-Y148 AromaticContact CD1-CZ 3.83Å; F146-Y148 WeakPolarHBondContact CD1-OH 3.42Å; F146-Y148 AromaticContact CG-CE2 3.94Å; F146-Y148 HydrophobicContact CG-CE2 3.94Å |
| 147 | L | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 116.8 | 169.6 | 175.8 | 67.5 | 0 | 0 | 0 | 107.3 | G36 R38 V43 L45 L134 V135 P158 W159 T162 | G36-L147 WeakPolarHBondContact O-CD2 2.92Å; R38-L147 HydrophobicContact CB-CB 4.23Å; V43-L147 HydrophobicContact CG2-CB 3.95Å; V43-L147 HydrophobicContact CG2-CD1 4.08Å; L45-L147 HydrophobicContact CD2-CD1 3.84Å; L134-L147 HydrophobicContact CB-CD1 4.09Å; V135-L147 WeakPolarHBondContact O-CA 3.48Å; L147-P158 CarbonylContact O-C 3.57Å; L147-P158 WeakPolarHBondContact O-CA 3.45Å; L147-W159 HydrophobicContact CD2-CB 4.09Å; L147-W159 HydrophobicContact CG-CB 4.36Å; L147-W159 PolarHBondContact O-N 2.99Å; L147-T162 HydrophobicContact CD2-CG2 4.42Å |
| 148 | Y | 98.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 141.5 | 173.2 | -68.9 | -86.9 | 0 | 0 | 0 | 110.3 | P106 E107 V110 L134 V135 F146 Y156 F157 P158 | P106-Y148 HydrophobicContact CB-CD2 4.31Å; P106-Y148 HydrophobicContact CB-CE2 4.11Å; E107-Y148 HydrophobicContact CB-CE2 4.29Å; E107-Y148 WeakPolarHBondContact CB-OH 3.41Å; V110-Y148 HydrophobicContact CB-CG 4.35Å; V110-Y148 HydrophobicContact CG1-CD1 3.86Å; V110-Y148 HydrophobicContact CG1-CD2 4.22Å; V110-Y148 HydrophobicContact CG1-CE1 4.26Å; V110-Y148 HydrophobicContact CG1-CG 3.84Å; L134-Y148 CarbonylContact C-O 3.55Å; L134-Y148 VanDerWaalsContact CA-O 3.25Å; L134-Y148 WeakPolarHBondContact CA-O 3.17Å; V135-Y148 PolarHBondContact N-O 2.59Å; V135-Y148 PolarHBondContact O-N 3.31Å; F146-Y148 HydrophobicContact CB-CD2 4.09Å; F146-Y148 HydrophobicContact CB-CE2 3.59Å; F146-Y148 AromaticContact CD1-CE2 3.84Å; F146-Y148 HydrophobicContact CD1-CE2 3.84Å; F146-Y148 AromaticContact CD1-CZ 3.83Å; F146-Y148 WeakPolarHBondContact CD1-OH 3.42Å; F146-Y148 AromaticContact CG-CE2 3.94Å; F146-Y148 HydrophobicContact CG-CE2 3.94Å; Y148-Y156 HydrophobicContact CD1-CD2 4.23Å; Y148-F157 WeakPolarHBondContact CA-O 3.33Å; Y148-P158 HydrophobicContact CD1-CB 4.05Å; Y148-P158 HydrophobicContact CE1-CB 3.79Å; Y148-P158 HydrophobicContact CE1-CG 4.35Å |
| 149 | Q | 98.7 | Very high | 97.4 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.065 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 139.2 | 163.5 | -176.8 | -178.4 | -35.4 | 0 | 0 | 108.5 | L133 L134 D151 Y156 F157 W159 T162 L164 | L133-Q149 CarbonylContact O-C 3.55Å; L133-Q149 VanDerWaalsContact O-CA 3.26Å; L133-Q149 WeakPolarHBondContact O-CA 3.37Å; L134-Q149 HydrophobicContact CD2-CB 3.85Å; L134-Q149 HydrophobicContact CD2-CG 4Å; Q149-D151 PolarHBondContact NE2-OD1 3.07Å; Q149-D151 PolarHBondContact NE2-OD2 3.2Å; Q149-D151 VanDerWaalsContact NE2-OD2 3.11Å; Q149-Y156 CarbonylContact O-C 3.34Å; Q149-Y156 WeakPolarHBondContact O-CA 3.48Å; Q149-Y156 VanDerWaalsContact O-CB 3.29Å; Q149-Y156 WeakPolarHBondContact O-CB 3.27Å; Q149-F157 PolarHBondContact N-O 3.23Å; Q149-F157 PolarHBondContact O-N 3.11Å; Q149-W159 VanDerWaalsContact CB-CD1 3.45Å; Q149-T162 PolarHBondContact OE1-OG1 3.16Å; Q149-L164 HydrophobicContact CG-CD2 4.21Å |
| 150 | C | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.1 | 170.5 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | V110 M117 S132 L133 T155 | V110-C150 HydrophobicContact CG2-CB 3.97Å; M117-C150 HydrophobicContact SD-CB 4.46Å; S132-C150 CarbonylContact C-O 3.6Å; S132-C150 WeakPolarHBondContact CA-O 3.45Å; L133-C150 HydrophobicContact CB-CB 4.35Å; L133-C150 PolarHBondContact N-O 2.95Å; L133-C150 PolarHBondContact O-N 2.89Å; C150-T155 WeakPolarHBondContact CA-O 3.38Å |
| 151 | D | 98.5 | Very high | 97.7 | Very high | 34 Ų | 34 | 53.1 Ų | 53.1 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | trans | -99.3 | 165.8 | -175.3 | -72.6 | -33.2 | 0 | 0 | 0 | 112.1 | M117 S132 Q149 S153 G154 T155 | M117-D151 VanDerWaalsContact CE-O 3.24Å; M117-D151 WeakPolarHBondContact CE-O 3.02Å; S132-D151 VanDerWaalsContact CB-OD1 3.27Å; S132-D151 WeakPolarHBondContact CB-OD1 3.32Å; S132-D151 PolarHBondContact OG-OD1 2.73Å; Q149-D151 PolarHBondContact NE2-OD1 3.07Å; Q149-D151 PolarHBondContact NE2-OD2 3.2Å; Q149-D151 VanDerWaalsContact NE2-OD2 3.11Å; D151-S153 PolarHBondContact O-N 3.46Å; D151-G154 WeakPolarHBondContact O-CA 3.42Å; D151-G154 PolarHBondContact O-N 3.41Å; D151-T155 PolarHBondContact N-O 3.13Å | ||
| 152 | P | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -27.2 | -179.7 | -33.9 | 37.7 | 0 | 0 | 0 | 116.3 | I21 A24 L25 V28 F129 V131 G154 | I21-P152 HydrophobicContact CG2-CB 4.46Å; A24-P152 HydrophobicContact CB-CB 3.66Å; A24-P152 HydrophobicContact CB-CG 3.87Å; L25-P152 HydrophobicContact CD2-CG 4.13Å; L25-P152 HydrophobicContact CG-CG 4.33Å; V28-P152 HydrophobicContact CG2-CG 4.12Å; F129-P152 VanDerWaalsContact O-CB 3.24Å; F129-P152 WeakPolarHBondContact O-CB 3.33Å; F129-P152 VanDerWaalsContact O-CG 3.32Å; F129-P152 WeakPolarHBondContact O-CG 3.49Å; V131-P152 WeakPolarHBondContact O-CD 3.5Å; V131-P152 WeakPolarHBondContact O-CG 3.32Å; P152-G154 PolarHBondContact O-N 2.98Å |
| 153 | S | 97.1 | Very high | 98.1 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 21% | 0.21 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -10.3 | 175.7 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | Q118 D151 T155 | Q118-S153 WeakPolarHBondContact CG-O 3.47Å; D151-S153 PolarHBondContact O-N 3.46Å; S153-T155 PolarHBondContact O-N 3.07Å; S153-T155 VanDerWaalsContact OG-CB 3.24Å; S153-T155 WeakPolarHBondContact OG-CB 3.43Å; S153-T155 PolarHBondContact OG-N 2.91Å; S153-T155 VanDerWaalsContact OG-N 3.15Å; S153-T155 PolarHBondContact OG-OG1 3.35Å |
| 154 | G | 97.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 72.2 | 11.6 | -164 | 0 | 0 | 0 | 0 | 0 | 113.5 | A114 D151 P152 | A114-G154 VanDerWaalsContact CB-O 3.26Å; A114-G154 WeakPolarHBondContact CB-O 3.48Å; A114-G154 WeakPolarHBondContact O-CA 3.31Å; D151-G154 WeakPolarHBondContact O-CA 3.42Å; D151-G154 PolarHBondContact O-N 3.41Å; P152-G154 PolarHBondContact O-N 2.98Å |
| 155 | T | 97.9 | Very high | 98.2 | Very high | 62 Ų | 62 | 32.2 Ų | 32.2 | 38% | 0.38 | 16% | 0.164 | S | C | . | . | trans | -72.9 | 132.7 | 168.2 | -52.7 | 0 | 0 | 0 | 0 | 109 | C150 D151 S153 F157 | C150-T155 WeakPolarHBondContact CA-O 3.38Å; D151-T155 PolarHBondContact N-O 3.13Å; S153-T155 PolarHBondContact O-N 3.07Å; S153-T155 VanDerWaalsContact OG-CB 3.24Å; S153-T155 WeakPolarHBondContact OG-CB 3.43Å; S153-T155 PolarHBondContact OG-N 2.91Å; S153-T155 VanDerWaalsContact OG-N 3.15Å; S153-T155 PolarHBondContact OG-OG1 3.35Å; T155-F157 HydrophobicContact CG2-CD2 4.02Å; T155-F157 HydrophobicContact CG2-CE2 3.2Å; T155-F157 HydrophobicContact CG2-CZ 3.53Å | ||
| 156 | Y | 98.3 | Very high | 98.1 | Very high | 76 Ų | 76 | 35.2 Ų | 35.2 | 30% | 0.298 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 148.2 | 176.7 | 69.3 | -86 | 0 | 0 | 0 | 111.9 | V110 I111 A114 Y148 Q149 | V110-Y156 HydrophobicContact CG1-CD2 3.66Å; V110-Y156 HydrophobicContact CG1-CE2 4.03Å; V110-Y156 HydrophobicContact CG1-CG 4.18Å; V110-Y156 HydrophobicContact CG2-CD2 4.34Å; V110-Y156 HydrophobicContact CG2-CG 4.13Å; I111-Y156 HydrophobicContact CG1-CE1 4.13Å; I111-Y156 HydrophobicContact CG1-CE2 4.19Å; I111-Y156 VanDerWaalsContact CG1-OH 3.29Å; I111-Y156 WeakPolarHBondContact CG1-OH 3.49Å; A114-Y156 HydrophobicContact CB-CD1 3.51Å; A114-Y156 HydrophobicContact CB-CE1 4.12Å; A114-Y156 HydrophobicContact CB-CG 4.36Å; Y148-Y156 HydrophobicContact CD1-CD2 4.23Å; Q149-Y156 CarbonylContact O-C 3.34Å; Q149-Y156 WeakPolarHBondContact O-CA 3.48Å; Q149-Y156 VanDerWaalsContact O-CB 3.29Å; Q149-Y156 WeakPolarHBondContact O-CB 3.27Å |
| 157 | F | 98.1 | Very high | 97.9 | Very high | 116 Ų | 116 | 38.6 Ų | 38.6 | 51% | 0.509 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 146.3 | 177.3 | -63 | -72.4 | 0 | 0 | 0 | 111.2 | Y148 Q149 T155 | Y148-F157 WeakPolarHBondContact CA-O 3.33Å; Q149-F157 PolarHBondContact N-O 3.23Å; Q149-F157 PolarHBondContact O-N 3.11Å; T155-F157 HydrophobicContact CG2-CD2 4.02Å; T155-F157 HydrophobicContact CG2-CE2 3.2Å; T155-F157 HydrophobicContact CG2-CZ 3.53Å |
| 158 | P | 98.1 | Very high | 97.8 | Very high | 79 Ų | 79 | 39.5 Ų | 39.5 | 51% | 0.513 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 141.9 | 168.4 | 30.9 | -33.1 | 0 | 0 | 0 | 110.7 | L147 Y148 | L147-P158 CarbonylContact O-C 3.57Å; L147-P158 WeakPolarHBondContact O-CA 3.45Å; Y148-P158 HydrophobicContact CD1-CB 4.05Å; Y148-P158 HydrophobicContact CE1-CB 3.79Å; Y148-P158 HydrophobicContact CE1-CG 4.35Å |
| 159 | W | 98.4 | Very high | 97.7 | Very high | 90 Ų | 90 | 45.2 Ų | 45.2 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | trans | -126 | 149 | -179.7 | -70.3 | 86.9 | 0 | 0 | 0 | 111.8 | L147 Q149 T162 | L147-W159 HydrophobicContact CD2-CB 4.09Å; L147-W159 HydrophobicContact CG-CB 4.36Å; L147-W159 PolarHBondContact O-N 2.99Å; Q149-W159 VanDerWaalsContact CB-CD1 3.45Å; W159-T162 HydrophobicContact CB-CG2 4.27Å; W159-T162 HydrophobicContact CD2-CG2 4.48Å; W159-T162 HydrophobicContact CG-CG2 4.12Å | ||
| 160 | K | 98.3 | Very high | 97.5 | Very high | 95 Ų | 95 | 49.6 Ų | 49.6 | 41% | 0.413 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -76.6 | -48.3 | 165.1 | -73.7 | -175.5 | -174.2 | -171.7 | 0 | 110.3 | R38 Y179 E181 | R38-K160 WeakPolarHBondContact CB-O 3.41Å; R38-K160 PolarHBondContact N-O 3.25Å; K160-Y179 HydrophobicContact CB-CE1 3.95Å; K160-Y179 HydrophobicContact CB-CE2 3.86Å; K160-Y179 HydrophobicContact CD-CE1 3.66Å; K160-Y179 HydrophobicContact CG-CE1 4.23Å; K160-E181 IonicContact NZ-OE1 2.64Å; K160-E181 PolarHBondContact NZ-OE1 2.64Å |
| 161 | A | 98.5 | Very high | 97.4 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 150.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | G36 I37 L175 Y179 | G36-A161 CarbonylContact O-C 3.58Å; G36-A161 VanDerWaalsContact O-CA 3.23Å; G36-A161 WeakPolarHBondContact O-CA 3.4Å; I37-A161 HydrophobicContact CB-CB 4.41Å; I37-A161 HydrophobicContact CG1-CB 4.14Å; I37-A161 HydrophobicContact CG2-CB 4.23Å; A161-L175 HydrophobicContact CB-CB 4.41Å; A161-L175 HydrophobicContact CB-CD1 4.18Å; A161-L175 HydrophobicContact CB-CD2 4.37Å; A161-Y179 HydrophobicContact CB-CD2 4.02Å |
| 162 | T | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 159.5 | 173.5 | -170.4 | 0 | 0 | 0 | 0 | 110.6 | G36 L134 L147 Q149 W159 | G36-T162 PolarHBondContact N-O 2.96Å; G36-T162 PolarHBondContact O-N 3.11Å; L134-T162 HydrophobicContact CD1-CG2 4.19Å; L134-T162 HydrophobicContact CD2-CG2 3.35Å; L134-T162 HydrophobicContact CG-CG2 4.43Å; L147-T162 HydrophobicContact CD2-CG2 4.42Å; Q149-T162 PolarHBondContact OE1-OG1 3.16Å; W159-T162 HydrophobicContact CB-CG2 4.27Å; W159-T162 HydrophobicContact CD2-CG2 4.48Å; W159-T162 HydrophobicContact CG-CG2 4.12Å |
| 163 | A | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | S34 V35 S168 K172 L175 | S34-A163 CarbonylContact O-C 3.58Å; S34-A163 WeakPolarHBondContact O-CA 3.3Å; V35-A163 HydrophobicContact CG2-CB 4.06Å; A163-S168 WeakPolarHBondContact O-CB 3.26Å; A163-K172 HydrophobicContact CB-CG 4.3Å; A163-K172 WeakPolarHBondContact O-CE 3.45Å; A163-L175 HydrophobicContact CB-CD1 4.18Å |
| 164 | L | 98.2 | Very high | 97.3 | Very high | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 156.6 | -178.4 | -57.6 | -178.7 | 0 | 0 | 0 | 110.6 | P33 S34 S76 L134 Q149 | P33-L164 WeakPolarHBondContact CA-O 3.15Å; S34-L164 PolarHBondContact N-O 3.12Å; S34-L164 PolarHBondContact O-N 3.17Å; S76-L164 WeakPolarHBondContact OG-CB 3.32Å; S76-L164 PolarHBondContact OG-O 3.13Å; L134-L164 HydrophobicContact CD1-CD1 4.25Å; L134-L164 HydrophobicContact CD1-CG 4.45Å; L134-L164 HydrophobicContact CD2-CD1 3.67Å; L134-L164 HydrophobicContact CD2-CG 4.11Å; L134-L164 HydrophobicContact CG-CD1 3.62Å; L134-L164 HydrophobicContact CG-CG 4.26Å; Q149-L164 HydrophobicContact CG-CD2 4.21Å |
| 165 | G | 97.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 93 | -158.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | V28 E29 G31 N167 S168 | V28-G165 WeakPolarHBondContact O-CA 3.17Å; E29-G165 CarbonylContact O-C 3.57Å; G31-G165 CarbonylContact O-C 3.55Å; G31-G165 VanDerWaalsContact O-CA 3.31Å; G31-G165 WeakPolarHBondContact O-CA 3.11Å; G165-N167 PolarHBondContact O-N 3.04Å; G165-S168 WeakPolarHBondContact O-CB 3.37Å; G165-S168 PolarHBondContact O-N 3.46Å; G165-S168 PolarHBondContact O-OG 2.95Å |
| 166 | Q | 95.9 | Very high | 97.2 | Very high | 69 Ų | 69 | 57 Ų | 57 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 137.2 | 176.2 | -70.9 | 176.6 | 4.1 | 0 | 0 | 110.6 | E29 A30 G31 P33 S168 | E29-Q166 VanDerWaalsContact O-CA 3.28Å; E29-Q166 WeakPolarHBondContact O-CA 3.43Å; E29-Q166 WeakPolarHBondContact O-CG 3.23Å; E29-Q166 PolarHBondContact O-N 2.75Å; E29-Q166 VanDerWaalsContact O-N 3.1Å; A30-Q166 PolarHBondContact O-NE2 3.26Å; G31-Q166 WeakPolarHBondContact O-CG 3.31Å; G31-Q166 PolarHBondContact O-N 2.84Å; P33-Q166 HydrophobicContact CG-CB 4.26Å; Q166-S168 PolarHBondContact O-N 3.44Å |
| 167 | N | 94 | Very high | 97.1 | Very high | 92 Ų | 92 | 61.8 Ų | 61.8 | 49% | 0.492 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 21.8 | 178.4 | -60.5 | -26.8 | 0 | 0 | 0 | 114.9 | G165 Q169 N170 G171 S199 | G165-N167 PolarHBondContact O-N 3.04Å; N167-Q169 PolarHBondContact O-N 3.07Å; N167-Q169 VanDerWaalsContact O-N 3.12Å; N167-N170 PolarHBondContact O-N 3.48Å; N167-G171 PolarHBondContact O-N 3.35Å; N167-S199 VanDerWaalsContact CB-OG 3.3Å; N167-S199 WeakPolarHBondContact CB-OG 3.26Å |
| 168 | S | 96.4 | Very high | 96.8 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.1 | -32 | -179 | 48.8 | 0 | 0 | 0 | 0 | 114.5 | A163 G165 Q166 G171 K172 | A163-S168 WeakPolarHBondContact O-CB 3.26Å; G165-S168 WeakPolarHBondContact O-CB 3.37Å; G165-S168 PolarHBondContact O-N 3.46Å; G165-S168 PolarHBondContact O-OG 2.95Å; Q166-S168 PolarHBondContact O-N 3.44Å; S168-G171 PolarHBondContact O-N 3.29Å; S168-K172 VanDerWaalsContact O-CG 3.31Å; S168-K172 WeakPolarHBondContact O-CG 3.42Å; S168-K172 PolarHBondContact O-N 3.17Å |
| 169 | Q | 96.3 | Very high | 96.8 | Very high | 129 Ų | 129 | 59.8 Ų | 59.8 | 60% | 0.603 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.1 | -47 | 175.7 | -63.8 | -60.4 | -26.4 | 0 | 0 | 111.9 | N167 G171 K172 S173 | N167-Q169 PolarHBondContact O-N 3.07Å; N167-Q169 VanDerWaalsContact O-N 3.12Å; Q169-G171 VanDerWaalsContact C-N 3.31Å; Q169-G171 PolarHBondContact O-N 3.28Å; Q169-K172 PolarHBondContact O-N 3.18Å; Q169-S173 PolarHBondContact O-N 2.83Å; Q169-S173 PolarHBondContact O-OG 2.95Å |
| 170 | N | 95.9 | Very high | 96.6 | Very high | 106 Ų | 106 | 59 Ų | 59 | 57% | 0.567 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 174.9 | -68.3 | -6.4 | 0 | 0 | 0 | 110.7 | N167 K172 S173 F174 | N167-N170 PolarHBondContact O-N 3.48Å; N170-K172 VanDerWaalsContact C-N 3.35Å; N170-K172 PolarHBondContact O-N 3.29Å; N170-S173 PolarHBondContact O-N 3.24Å; N170-F174 WeakPolarHBondContact O-CB 3.34Å; N170-F174 PolarHBondContact O-N 2.94Å |
| 171 | G | 96.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N167 S168 Q169 F174 L175 | N167-G171 PolarHBondContact O-N 3.35Å; S168-G171 PolarHBondContact O-N 3.29Å; Q169-G171 VanDerWaalsContact C-N 3.31Å; Q169-G171 PolarHBondContact O-N 3.28Å; G171-F174 PolarHBondContact O-N 2.94Å; G171-L175 VanDerWaalsContact O-CG 3.28Å; G171-L175 WeakPolarHBondContact O-CG 3.24Å; G171-L175 PolarHBondContact O-N 3.25Å |
| 172 | K | 97.6 | Very high | 96.3 | Very high | 55 Ų | 55 | 65.9 Ų | 65.9 | 24% | 0.239 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 175.4 | -73.3 | 173.5 | -176.1 | -177.4 | 0 | 112.1 | A163 S168 Q169 N170 F174 L175 E176 | A163-K172 HydrophobicContact CB-CG 4.3Å; A163-K172 WeakPolarHBondContact O-CE 3.45Å; S168-K172 VanDerWaalsContact O-CG 3.31Å; S168-K172 WeakPolarHBondContact O-CG 3.42Å; S168-K172 PolarHBondContact O-N 3.17Å; Q169-K172 PolarHBondContact O-N 3.18Å; N170-K172 VanDerWaalsContact C-N 3.35Å; N170-K172 PolarHBondContact O-N 3.29Å; K172-F174 PolarHBondContact O-N 2.81Å; K172-L175 WeakPolarHBondContact O-CB 3.41Å; K172-L175 PolarHBondContact O-N 2.87Å; K172-L175 VanDerWaalsContact O-N 3.15Å; K172-E176 WeakPolarHBondContact O-CG 3.35Å; K172-E176 PolarHBondContact O-N 3.03Å |
| 173 | S | 97 | Very high | 96.2 | Very high | 57 Ų | 57 | 66.5 Ų | 66.5 | 40% | 0.399 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.7 | -29.5 | 176.4 | -61.6 | 0 | 0 | 0 | 0 | 113.1 | Q169 N170 | Q169-S173 PolarHBondContact O-N 2.83Å; Q169-S173 PolarHBondContact O-OG 2.95Å; N170-S173 PolarHBondContact O-N 3.24Å |
| 174 | F | 95.9 | Very high | 96.2 | Very high | 20 Ų | 20 | 70.3 Ų | 70.3 | 9% | 0.088 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72.3 | -41.6 | 174.2 | -171.7 | -89.9 | 0 | 0 | 0 | 111.9 | N170 G171 K172 K177 L194 T195 E198 | N170-F174 WeakPolarHBondContact O-CB 3.34Å; N170-F174 PolarHBondContact O-N 2.94Å; G171-F174 PolarHBondContact O-N 2.94Å; K172-F174 PolarHBondContact O-N 2.81Å; F174-K177 PolarHBondContact O-N 2.8Å; F174-L194 HydrophobicContact CE1-CB 3.84Å; F174-L194 HydrophobicContact CZ-CB 4.01Å; F174-T195 HydrophobicContact CD1-CG2 4.4Å; F174-T195 WeakPolarHBondContact CD1-OG1 3.45Å; F174-E198 HydrophobicContact CD1-CG 4.32Å; F174-E198 HydrophobicContact CD2-CG 3.43Å; F174-E198 VanDerWaalsContact CD2-CG 3.43Å; F174-E198 HydrophobicContact CE1-CG 4.3Å; F174-E198 HydrophobicContact CE2-CG 3.4Å; F174-E198 VanDerWaalsContact CE2-CG 3.4Å; F174-E198 WeakPolarHBondContact CE2-OE1 3.11Å; F174-E198 HydrophobicContact CG-CG 3.87Å; F174-E198 HydrophobicContact CZ-CG 3.83Å |
| 175 | L | 97.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 70.8 Ų | 70.8 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 175.4 | -72 | 167.5 | 0 | 0 | 0 | 112.1 | V35 I37 A161 A163 G171 K172 K177 R178 Y179 T195 | V35-L175 HydrophobicContact CG1-CD1 4.17Å; V35-L175 HydrophobicContact CG1-CD2 4.23Å; I37-L175 HydrophobicContact CD1-CD2 3.38Å; I37-L175 HydrophobicContact CG1-CD2 3.84Å; A161-L175 HydrophobicContact CB-CB 4.41Å; A161-L175 HydrophobicContact CB-CD1 4.18Å; A161-L175 HydrophobicContact CB-CD2 4.37Å; A163-L175 HydrophobicContact CB-CD1 4.18Å; G171-L175 VanDerWaalsContact O-CG 3.28Å; G171-L175 WeakPolarHBondContact O-CG 3.24Å; G171-L175 PolarHBondContact O-N 3.25Å; K172-L175 WeakPolarHBondContact O-CB 3.41Å; K172-L175 PolarHBondContact O-N 2.87Å; K172-L175 VanDerWaalsContact O-N 3.15Å; L175-K177 PolarHBondContact O-N 3.4Å; L175-K177 VanDerWaalsContact O-N 3.14Å; L175-R178 PolarHBondContact O-N 2.85Å; L175-Y179 VanDerWaalsContact O-CB 3.29Å; L175-Y179 WeakPolarHBondContact O-CB 3.32Å; L175-Y179 PolarHBondContact O-N 2.92Å; L175-T195 HydrophobicContact CD1-CG2 4.26Å; L175-T195 HydrophobicContact CD2-CG2 4.26Å; L175-T195 VanDerWaalsContact CD2-OG1 3.3Å; L175-T195 WeakPolarHBondContact CD2-OG1 3.44Å; L175-T195 HydrophobicContact CG-CG2 3.94Å |
| 176 | E | 96.7 | Very high | 96.2 | Very high | 150 Ų | 150 | 77.3 Ų | 77.3 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -54.7 | -33.3 | 177.9 | -76.9 | 173.9 | 170.5 | 0 | 0 | 113.1 | K172 | K172-E176 WeakPolarHBondContact O-CG 3.35Å; K172-E176 PolarHBondContact O-N 3.03Å |
| 177 | K | 95.5 | Very high | 96.2 | Very high | 176 Ų | 176 | 78.6 Ų | 78.6 | 77% | 0.765 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -80.4 | -19.5 | -179.8 | -64.5 | 174 | -174.6 | 175.6 | 0 | 113.9 | F174 L175 | F174-K177 PolarHBondContact O-N 2.8Å; L175-K177 PolarHBondContact O-N 3.4Å; L175-K177 VanDerWaalsContact O-N 3.14Å |
| 178 | R | 93 | Very high | 96.4 | Very high | 105 Ų | 105 | 74.2 Ų | 74.2 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -112.4 | -23 | -173 | -76.2 | 179.7 | 165.6 | 73.5 | -2.5 | 113.6 | L175 | L175-R178 PolarHBondContact O-N 2.85Å |
| 179 | Y | 96.3 | Very high | 96.5 | Very high | 49 Ų | 49 | 73.3 Ų | 73.3 | 19% | 0.192 | 35% | 0.353 | C | S | . | . | trans | -72.9 | 137 | -178.9 | -179.4 | -86 | 0 | 0 | 0 | 111.4 | I37 R38 K160 A161 L175 E181 | I37-Y179 HydrophobicContact CG2-CD2 4.08Å; I37-Y179 HydrophobicContact CG2-CE2 4.33Å; R38-Y179 WeakPolarHBondContact O-CE2 3.45Å; K160-Y179 HydrophobicContact CB-CE1 3.95Å; K160-Y179 HydrophobicContact CB-CE2 3.86Å; K160-Y179 HydrophobicContact CD-CE1 3.66Å; K160-Y179 HydrophobicContact CG-CE1 4.23Å; A161-Y179 HydrophobicContact CB-CD2 4.02Å; L175-Y179 VanDerWaalsContact O-CB 3.29Å; L175-Y179 WeakPolarHBondContact O-CB 3.32Å; L175-Y179 PolarHBondContact O-N 2.92Å; Y179-E181 HydrophobicContact CE1-CG 4.41Å | ||
| 180 | N | 95.7 | Very high | 96.5 | Very high | 74 Ų | 74 | 69.5 Ų | 69.5 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | trans | -144.7 | 164.8 | 164.4 | 72.3 | 86.5 | 0 | 0 | 0 | 109.3 | N182 L183 | N180-N182 VanDerWaalsContact C-N 3.28Å; N180-N182 PolarHBondContact O-N 3.11Å; N180-N182 WeakPolarHBondContact OD1-CA 3.47Å; N180-N182 PolarHBondContact OD1-N 3.02Å; N180-L183 WeakPolarHBondContact O-CB 3.24Å; N180-L183 PolarHBondContact O-N 3.05Å; N180-L183 PolarHBondContact OD1-N 3.19Å | ||
| 181 | E | 94.4 | Very high | 96.6 | Very high | 124 Ų | 124 | 64.8 Ų | 64.8 | 58% | 0.579 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -17.9 | -174.4 | -59.4 | -157.6 | 152.7 | 0 | 0 | 114.6 | K160 Y179 | K160-E181 IonicContact NZ-OE1 2.64Å; K160-E181 PolarHBondContact NZ-OE1 2.64Å; Y179-E181 HydrophobicContact CE1-CG 4.41Å |
| 182 | N | 95.9 | Very high | 96.6 | Very high | 133 Ų | 133 | 64.7 Ų | 64.7 | 71% | 0.711 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 12.7 | -179.8 | -56.3 | -34.8 | 0 | 0 | 0 | 112.1 | N180 E184 | N180-N182 VanDerWaalsContact C-N 3.28Å; N180-N182 PolarHBondContact O-N 3.11Å; N180-N182 WeakPolarHBondContact OD1-CA 3.47Å; N180-N182 PolarHBondContact OD1-N 3.02Å; N182-E184 PolarHBondContact O-N 3.42Å |
| 183 | L | 96.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | trans | -64.7 | 124.7 | -180 | -163.8 | 71.4 | 0 | 0 | 0 | 109.3 | I37 A39 A40 N180 D187 A188 | I37-L183 HydrophobicContact CG2-CD2 3.9Å; A39-L183 CarbonylContact C-O 3.56Å; A39-L183 WeakPolarHBondContact CA-O 3.43Å; A39-L183 WeakPolarHBondContact CB-O 3.29Å; A40-L183 PolarHBondContact N-O 3.49Å; N180-L183 WeakPolarHBondContact O-CB 3.24Å; N180-L183 PolarHBondContact O-N 3.05Å; N180-L183 PolarHBondContact OD1-N 3.19Å; L183-D187 HydrophobicContact CD1-CB 3.6Å; L183-D187 HydrophobicContact CG-CB 4.14Å; L183-A188 HydrophobicContact CD2-CB 3.68Å; L183-A188 HydrophobicContact CG-CB 4.06Å | ||
| 184 | E | 97.8 | Very high | 96.5 | Very high | 84 Ų | 84 | 60.5 Ų | 60.5 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | trans | -83.3 | 159.5 | 175 | -69.3 | -65.1 | 134.1 | 0 | 0 | 110.7 | N41 N182 E186 D187 A188 | N41-E184 PolarHBondContact ND2-OE2 2.71Å; N41-E184 PolarHBondContact OD1-OE2 3.02Å; N182-E184 PolarHBondContact O-N 3.42Å; E184-E186 VanDerWaalsContact C-N 3.26Å; E184-E186 PolarHBondContact O-N 2.88Å; E184-D187 PolarHBondContact O-N 3.3Å; E184-A188 WeakPolarHBondContact O-CB 3.08Å; E184-A188 PolarHBondContact O-N 3.39Å | ||
| 185 | L | 98.2 | Very high | 96.5 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 9% | 0.094 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.9 | -35.7 | -173.5 | -179.7 | 59.4 | 0 | 0 | 0 | 113.2 | A39 N41 V44 T189 V213 N215 | A39-L185 HydrophobicContact CB-CB 4.38Å; N41-L185 VanDerWaalsContact OD1-CB 3.31Å; N41-L185 WeakPolarHBondContact OD1-CB 3.48Å; N41-L185 PolarHBondContact OD1-N 3.13Å; V44-L185 HydrophobicContact CB-CD1 4.22Å; L185-T189 WeakPolarHBondContact O-CB 3.48Å; L185-T189 PolarHBondContact O-N 2.96Å; L185-T189 PolarHBondContact O-OG1 3.02Å; L185-V213 HydrophobicContact CD1-CB 4.34Å; L185-V213 HydrophobicContact CD1-CG1 4.3Å; L185-V213 HydrophobicContact CD2-CB 4.27Å; L185-N215 HydrophobicContact CD2-CB 4.19Å |
| 186 | E | 97.1 | Very high | 96.5 | Very high | 140 Ų | 140 | 59.4 Ų | 59.4 | 65% | 0.654 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66 | -49.4 | 177.5 | -172.4 | 169.3 | -176.1 | 0 | 0 | 111.3 | E184 A188 T189 H190 Y230 | E184-E186 VanDerWaalsContact C-N 3.26Å; E184-E186 PolarHBondContact O-N 2.88Å; E186-A188 VanDerWaalsContact C-N 3.34Å; E186-A188 PolarHBondContact O-N 2.86Å; E186-T189 WeakPolarHBondContact O-CB 3.38Å; E186-T189 PolarHBondContact O-N 3.43Å; E186-T189 VanDerWaalsContact O-N 3.12Å; E186-H190 PolarHBondContact O-N 3.34Å; E186-Y230 HydrophobicContact CG-CE1 4.2Å |
| 187 | D | 96.8 | Very high | 96.3 | Very high | 96 Ų | 96 | 56.6 Ų | 56.6 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 175.7 | -65.5 | -44 | 0 | 0 | 0 | 112.2 | L183 E184 T189 H190 A191 | L183-D187 HydrophobicContact CD1-CB 3.6Å; L183-D187 HydrophobicContact CG-CB 4.14Å; E184-D187 PolarHBondContact O-N 3.3Å; D187-T189 VanDerWaalsContact C-N 3.3Å; D187-T189 PolarHBondContact O-N 3.39Å; D187-H190 PolarHBondContact O-N 2.71Å; D187-A191 WeakPolarHBondContact O-CB 3.33Å; D187-A191 PolarHBondContact O-N 3.34Å |
| 188 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I37 A39 V44 L183 E184 E186 A191 A192 | I37-A188 HydrophobicContact CB-CB 4.28Å; I37-A188 WeakPolarHBondContact CD1-O 3.41Å; I37-A188 HydrophobicContact CG2-CB 3.93Å; A39-A188 HydrophobicContact CB-CB 3.85Å; V44-A188 HydrophobicContact CG1-CB 4.03Å; L183-A188 HydrophobicContact CD2-CB 3.68Å; L183-A188 HydrophobicContact CG-CB 4.06Å; E184-A188 WeakPolarHBondContact O-CB 3.08Å; E184-A188 PolarHBondContact O-N 3.39Å; E186-A188 VanDerWaalsContact C-N 3.34Å; E186-A188 PolarHBondContact O-N 2.86Å; A188-A191 PolarHBondContact O-N 2.79Å; A188-A192 WeakPolarHBondContact O-CB 3.35Å; A188-A192 PolarHBondContact O-N 3.13Å |
| 189 | T | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.6 | -45.6 | 177 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | V44 L185 E186 D187 A191 A192 I193 V211 L222 Y230 | V44-T189 HydrophobicContact CG2-CG2 4.15Å; L185-T189 WeakPolarHBondContact O-CB 3.48Å; L185-T189 PolarHBondContact O-N 2.96Å; L185-T189 PolarHBondContact O-OG1 3.02Å; E186-T189 WeakPolarHBondContact O-CB 3.38Å; E186-T189 PolarHBondContact O-N 3.43Å; E186-T189 VanDerWaalsContact O-N 3.12Å; D187-T189 VanDerWaalsContact C-N 3.3Å; D187-T189 PolarHBondContact O-N 3.39Å; T189-A191 PolarHBondContact O-N 3.34Å; T189-A192 PolarHBondContact O-N 3.05Å; T189-I193 HydrophobicContact CG2-CD1 4.19Å; T189-I193 WeakPolarHBondContact O-CG1 3.43Å; T189-I193 PolarHBondContact O-N 3.29Å; T189-I193 VanDerWaalsContact O-N 3.11Å; T189-V211 HydrophobicContact CG2-CG1 3.92Å; T189-L222 HydrophobicContact CG2-CD1 4.28Å; T189-Y230 HydrophobicContact CG2-CD1 4.01Å; T189-Y230 HydrophobicContact CG2-CD2 4.06Å; T189-Y230 HydrophobicContact CG2-CE1 3.65Å; T189-Y230 HydrophobicContact CG2-CE2 3.75Å; T189-Y230 HydrophobicContact CG2-CG 4.21Å |
| 190 | H | 96.4 | Very high | 95.1 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 174.1 | -171 | 90.8 | 0 | 0 | 0 | 112.1 | E186 D187 A192 I193 L194 A233 I234 | E186-H190 PolarHBondContact O-N 3.34Å; D187-H190 PolarHBondContact O-N 2.71Å; H190-A192 VanDerWaalsContact C-N 3.33Å; H190-A192 PolarHBondContact O-N 2.86Å; H190-I193 PolarHBondContact O-N 3.39Å; H190-L194 VanDerWaalsContact CD2-CD1 3.49Å; H190-L194 WeakPolarHBondContact CD2-CD1 3.49Å; H190-L194 WeakPolarHBondContact NE2-CD1 3.39Å; H190-L194 WeakPolarHBondContact O-CG 3.37Å; H190-L194 PolarHBondContact O-N 2.98Å; H190-A233 PolarHBondContact CE1-O 3.09Å; H190-I234 WeakPolarHBondContact CE1-CG1 3.08Å |
| 191 | A | 96.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I37 D187 A188 T189 T195 | I37-A191 HydrophobicContact CD1-CB 3.88Å; D187-A191 WeakPolarHBondContact O-CB 3.33Å; D187-A191 PolarHBondContact O-N 3.34Å; A188-A191 PolarHBondContact O-N 2.79Å; T189-A191 PolarHBondContact O-N 3.34Å; A191-T195 WeakPolarHBondContact O-CB 3.21Å; A191-T195 PolarHBondContact O-N 3.02Å; A191-T195 PolarHBondContact O-OG1 3.28Å |
| 192 | A | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V35 I37 V44 A46 A188 T189 H190 T195 L196 | V35-A192 HydrophobicContact CG1-CB 3.99Å; I37-A192 HydrophobicContact CD1-CB 3.87Å; I37-A192 HydrophobicContact CG1-CB 4.25Å; V44-A192 HydrophobicContact CG1-CB 4.01Å; V44-A192 HydrophobicContact CG2-CB 4.48Å; A46-A192 HydrophobicContact CB-CB 3.97Å; A188-A192 WeakPolarHBondContact O-CB 3.35Å; A188-A192 PolarHBondContact O-N 3.13Å; T189-A192 PolarHBondContact O-N 3.05Å; H190-A192 VanDerWaalsContact C-N 3.33Å; H190-A192 PolarHBondContact O-N 2.86Å; A192-T195 WeakPolarHBondContact O-CB 3.3Å; A192-T195 PolarHBondContact O-N 2.72Å; A192-L196 PolarHBondContact O-N 2.91Å |
| 193 | I | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 177.6 | -61.6 | 166.7 | 0 | 0 | 0 | 110.8 | T189 H190 T195 L196 K197 M204 I209 V211 Y230 L231 I234 | T189-I193 HydrophobicContact CG2-CD1 4.19Å; T189-I193 WeakPolarHBondContact O-CG1 3.43Å; T189-I193 PolarHBondContact O-N 3.29Å; T189-I193 VanDerWaalsContact O-N 3.11Å; H190-I193 PolarHBondContact O-N 3.39Å; I193-T195 PolarHBondContact O-N 3.02Å; I193-L196 WeakPolarHBondContact O-CB 3.41Å; I193-L196 PolarHBondContact O-N 3.27Å; I193-L196 VanDerWaalsContact O-N 3.11Å; I193-K197 PolarHBondContact O-N 2.89Å; I193-M204 HydrophobicContact CG2-SD 3.68Å; I193-I209 HydrophobicContact CG1-CD1 4.41Å; I193-I209 HydrophobicContact CG2-CD1 4.16Å; I193-V211 HydrophobicContact CD1-CG2 4.25Å; I193-V211 HydrophobicContact CG1-CG2 4.19Å; I193-Y230 HydrophobicContact CD1-CD1 4.4Å; I193-Y230 HydrophobicContact CD1-CG 3.94Å; I193-L231 HydrophobicContact CG2-CD2 3.85Å; I193-I234 HydrophobicContact CB-CD1 3.81Å; I193-I234 HydrophobicContact CG2-CD1 3.28Å |
| 194 | L | 95.7 | Very high | 93.8 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.3 | -39.5 | 172.6 | -77.2 | 178.5 | 0 | 0 | 0 | 112.2 | F174 H190 L196 K197 E198 I234 | F174-L194 HydrophobicContact CE1-CB 3.84Å; F174-L194 HydrophobicContact CZ-CB 4.01Å; H190-L194 VanDerWaalsContact CD2-CD1 3.49Å; H190-L194 WeakPolarHBondContact CD2-CD1 3.49Å; H190-L194 WeakPolarHBondContact NE2-CD1 3.39Å; H190-L194 WeakPolarHBondContact O-CG 3.37Å; H190-L194 PolarHBondContact O-N 2.98Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L194-L196 PolarHBondContact O-N 2.95Å; L194-K197 WeakPolarHBondContact O-CB 3.46Å; L194-K197 PolarHBondContact O-N 2.99Å; L194-K197 VanDerWaalsContact O-N 3.15Å; L194-E198 PolarHBondContact O-N 3.3Å; L194-I234 HydrophobicContact CD2-CB 4.41Å; L194-I234 HydrophobicContact CD2-CD1 4.33Å; L194-I234 HydrophobicContact CD2-CG1 4.07Å; L194-I234 HydrophobicContact CD2-CG2 3.54Å; L194-I234 HydrophobicContact CG-CD1 4.45Å; L194-I234 HydrophobicContact CG-CG1 4.36Å |
| 195 | T | 96.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 177.8 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | V35 F174 L175 A191 A192 I193 K197 | V35-T195 HydrophobicContact CG1-CG2 4.36Å; V35-T195 HydrophobicContact CG2-CG2 3.68Å; F174-T195 HydrophobicContact CD1-CG2 4.4Å; F174-T195 WeakPolarHBondContact CD1-OG1 3.45Å; L175-T195 HydrophobicContact CD1-CG2 4.26Å; L175-T195 HydrophobicContact CD2-CG2 4.26Å; L175-T195 VanDerWaalsContact CD2-OG1 3.3Å; L175-T195 WeakPolarHBondContact CD2-OG1 3.44Å; L175-T195 HydrophobicContact CG-CG2 3.94Å; A191-T195 WeakPolarHBondContact O-CB 3.21Å; A191-T195 PolarHBondContact O-N 3.02Å; A191-T195 PolarHBondContact O-OG1 3.28Å; A192-T195 WeakPolarHBondContact O-CB 3.3Å; A192-T195 PolarHBondContact O-N 2.72Å; I193-T195 PolarHBondContact O-N 3.02Å; T195-K197 VanDerWaalsContact C-N 3.32Å |
| 196 | L | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -40 | 171.4 | -65.5 | -174.5 | 0 | 0 | 0 | 111.4 | P33 V35 A46 V48 A192 I193 L194 E198 S199 F200 M204 I209 | P33-L196 HydrophobicContact CB-CD2 4Å; V35-L196 HydrophobicContact CB-CD2 4.27Å; V35-L196 HydrophobicContact CG2-CD2 3.59Å; V35-L196 HydrophobicContact CG2-CG 4.28Å; A46-L196 HydrophobicContact CB-CD1 3.66Å; A46-L196 HydrophobicContact CB-CG 4.25Å; V48-L196 HydrophobicContact CG2-CB 4.45Å; V48-L196 HydrophobicContact CG2-CD1 4.31Å; V48-L196 HydrophobicContact CG2-CD2 4.21Å; A192-L196 PolarHBondContact O-N 2.91Å; I193-L196 WeakPolarHBondContact O-CB 3.41Å; I193-L196 PolarHBondContact O-N 3.27Å; I193-L196 VanDerWaalsContact O-N 3.11Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L194-L196 PolarHBondContact O-N 2.95Å; L196-E198 VanDerWaalsContact C-N 3.26Å; L196-E198 PolarHBondContact O-N 3.15Å; L196-S199 CarbonylContact O-C 3.52Å; L196-S199 PolarHBondContact O-N 3.39Å; L196-F200 WeakPolarHBondContact O-CB 3.25Å; L196-F200 PolarHBondContact O-N 3.41Å; L196-F200 VanDerWaalsContact O-N 3.11Å; L196-M204 HydrophobicContact CB-CE 3.67Å; L196-I209 HydrophobicContact CD1-CG2 4.14Å |
| 197 | K | 93.3 | Very high | 93.3 | Very high | 92 Ų | 92 | 48.9 Ų | 48.9 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.1 | -36.2 | -178.4 | -170.5 | 174.5 | 177.5 | 174.2 | 0 | 112 | I193 L194 T195 S199 F200 M204 I234 P235 | I193-K197 PolarHBondContact O-N 2.89Å; L194-K197 WeakPolarHBondContact O-CB 3.46Å; L194-K197 PolarHBondContact O-N 2.99Å; L194-K197 VanDerWaalsContact O-N 3.15Å; T195-K197 VanDerWaalsContact C-N 3.32Å; K197-S199 PolarHBondContact O-N 3.23Å; K197-F200 PolarHBondContact O-N 3.44Å; K197-F200 VanDerWaalsContact O-N 3.15Å; K197-M204 HydrophobicContact CB-CE 4.1Å; K197-I234 HydrophobicContact CD-CG2 3.91Å; K197-P235 PolarHBondContact NZ-O 3.49Å |
| 198 | E | 89.2 | Confident | 93.2 | Very high | 120 Ų | 120 | 45.2 Ų | 45.2 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.9 | 175.6 | -65.3 | -65.2 | 123.7 | 0 | 0 | 113.9 | F174 L194 L196 | F174-E198 HydrophobicContact CD1-CG 4.32Å; F174-E198 HydrophobicContact CD2-CG 3.43Å; F174-E198 VanDerWaalsContact CD2-CG 3.43Å; F174-E198 HydrophobicContact CE1-CG 4.3Å; F174-E198 HydrophobicContact CE2-CG 3.4Å; F174-E198 VanDerWaalsContact CE2-CG 3.4Å; F174-E198 WeakPolarHBondContact CE2-OE1 3.11Å; F174-E198 HydrophobicContact CG-CG 3.87Å; F174-E198 HydrophobicContact CZ-CG 3.83Å; L194-E198 PolarHBondContact O-N 3.3Å; L196-E198 VanDerWaalsContact C-N 3.26Å; L196-E198 PolarHBondContact O-N 3.15Å |
| 199 | S | 81.3 | Confident | 93.2 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 5.3 | -179.1 | -56 | 0 | 0 | 0 | 0 | 112.8 | N167 L196 K197 | N167-S199 VanDerWaalsContact CB-OG 3.3Å; N167-S199 WeakPolarHBondContact CB-OG 3.26Å; L196-S199 CarbonylContact O-C 3.52Å; L196-S199 PolarHBondContact O-N 3.39Å; K197-S199 PolarHBondContact O-N 3.23Å |
| 200 | F | 88.3 | Confident | 93.2 | Very high | 42 Ų | 42 | 46.3 Ų | 46.3 | 18% | 0.184 | 25% | 0.246 | C | C | . | . | trans | -91.1 | 130.6 | -172.6 | -156.3 | -86.7 | 0 | 0 | 0 | 111.2 | V48 L196 K197 Q203 M204 N208 I209 | V48-F200 HydrophobicContact CB-CE2 4.38Å; V48-F200 HydrophobicContact CG1-CD2 4.22Å; V48-F200 HydrophobicContact CG1-CE2 3.71Å; V48-F200 HydrophobicContact CG2-CD2 3.69Å; V48-F200 HydrophobicContact CG2-CE2 3.88Å; L196-F200 WeakPolarHBondContact O-CB 3.25Å; L196-F200 PolarHBondContact O-N 3.41Å; L196-F200 VanDerWaalsContact O-N 3.11Å; K197-F200 PolarHBondContact O-N 3.44Å; K197-F200 VanDerWaalsContact O-N 3.15Å; F200-Q203 WeakPolarHBondContact CE1-O 3.38Å; F200-M204 HydrophobicContact CB-CE 3.8Å; F200-M204 HydrophobicContact CD1-CB 4.24Å; F200-M204 HydrophobicContact CD2-CE 3.51Å; F200-M204 HydrophobicContact CE1-CB 4.33Å; F200-M204 HydrophobicContact CE2-CE 4.25Å; F200-M204 HydrophobicContact CE2-CG 4.45Å; F200-M204 HydrophobicContact CG-CB 4.45Å; F200-M204 HydrophobicContact CG-CE 3.7Å; F200-N208 HydrophobicContact CZ-CB 4.05Å; F200-N208 VanDerWaalsContact CZ-ND2 3.34Å; F200-N208 WeakPolarHBondContact CZ-ND2 3.44Å; F200-N208 WeakPolarHBondContact CZ-OD1 3.24Å; F200-I209 HydrophobicContact CE2-CG2 4.17Å | ||
| 201 | E | 84.4 | Confident | 93.3 | Very high | 182 Ų | 182 | 44 Ų | 44 | 85% | 0.85 | 24% | 0.235 | S | C | * | . | trans | -93.5 | 123.2 | 173 | -66.9 | 179.6 | -179.4 | 0 | 0 | 109.9 | ||||
| 202 | G | 87.2 | Confident | 93.4 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 77% | 0.773 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 84.8 | -155.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 203 | Q | 90.9 | Very high | 93.4 | Very high | 163 Ų | 163 | 44.1 Ų | 44.1 | 76% | 0.762 | 24% | 0.235 | S | C | * | . | trans | -89.5 | 125.4 | -177.4 | -174.3 | 176.3 | 7.7 | 0 | 0 | 111 | F200 T205 N208 | F200-Q203 WeakPolarHBondContact CE1-O 3.38Å; Q203-T205 HydrophobicContact CG-CG2 4.37Å; Q203-N208 PolarHBondContact O-ND2 2.96Å | ||
| 204 | M | 93.8 | Very high | 93.5 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | trans | -75.7 | 133.3 | 171 | -167.1 | 176.6 | -74.2 | 0 | 0 | 110.1 | I193 L196 K197 F200 I209 L231 | I193-M204 HydrophobicContact CG2-SD 3.68Å; L196-M204 HydrophobicContact CB-CE 3.67Å; K197-M204 HydrophobicContact CB-CE 4.1Å; F200-M204 HydrophobicContact CB-CE 3.8Å; F200-M204 HydrophobicContact CD1-CB 4.24Å; F200-M204 HydrophobicContact CD2-CE 3.51Å; F200-M204 HydrophobicContact CE1-CB 4.33Å; F200-M204 HydrophobicContact CE2-CE 4.25Å; F200-M204 HydrophobicContact CE2-CG 4.45Å; F200-M204 HydrophobicContact CG-CB 4.45Å; F200-M204 HydrophobicContact CG-CE 3.7Å; M204-I209 HydrophobicContact CE-CG2 4.05Å; M204-I209 HydrophobicContact CG-CD1 4.17Å; M204-I209 HydrophobicContact CG-CG1 4.22Å; M204-I209 HydrophobicContact CG-CG2 3.66Å; M204-I209 HydrophobicContact SD-CD1 3.88Å; M204-I209 HydrophobicContact SD-CG1 4.47Å; M204-I209 HydrophobicContact SD-CG2 3.8Å; M204-L231 HydrophobicContact CB-CD2 4.18Å; M204-L231 HydrophobicContact CG-CD2 3.76Å; M204-L231 HydrophobicContact SD-CD2 3.66Å | ||
| 205 | T | 94.6 | Very high | 93.6 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | trans | -136.4 | 164.4 | -179.3 | 66.9 | 0 | 0 | 0 | 0 | 109.4 | Q203 S207 N208 I209 L231 | Q203-T205 HydrophobicContact CG-CG2 4.37Å; T205-S207 PolarHBondContact O-N 3.15Å; T205-S207 VanDerWaalsContact O-N 3.11Å; T205-S207 PolarHBondContact OG1-N 2.92Å; T205-S207 PolarHBondContact OG1-OG 2.82Å; T205-S207 VanDerWaalsContact OG1-OG 3.14Å; T205-N208 PolarHBondContact N-ND2 2.89Å; T205-N208 PolarHBondContact N-OD1 3.23Å; T205-N208 PolarHBondContact O-N 3.11Å; T205-N208 VanDerWaalsContact O-N 3.15Å; T205-N208 PolarHBondContact O-OD1 3.4Å; T205-N208 PolarHBondContact OG1-N 3.47Å; T205-N208 PolarHBondContact OG1-ND2 3.4Å; T205-I209 WeakPolarHBondContact O-CG1 3.43Å; T205-I209 PolarHBondContact O-N 2.79Å; T205-L231 VanDerWaalsContact C-CD1 3.5Å | ||
| 206 | E | 94.5 | Very high | 93.6 | Very high | 57 Ų | 57 | 51 Ų | 51 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.7 | 174.3 | 74.8 | -76.6 | -168.9 | 0 | 0 | 113.8 | S224 V227 K228 | E206-S224 WeakPolarHBondContact CB-O 3.29Å; E206-V227 HydrophobicContact CB-CB 4.21Å; E206-V227 HydrophobicContact CB-CG1 4.08Å; E206-K228 HydrophobicContact CB-CG 3.85Å; E206-K228 HydrophobicContact CG-CD 4.39Å; E206-K228 HydrophobicContact CG-CG 3.97Å; E206-K228 WeakPolarHBondContact OE1-CE 3.47Å; E206-K228 IonicContact OE1-NZ 3.96Å; E206-K228 PolarHBondContact OE1-NZ 2.93Å; E206-K228 WeakPolarHBondContact OE2-CE 3.42Å |
| 207 | S | 93.7 | Very high | 93.7 | Very high | 36 Ų | 36 | 57.4 Ų | 57.4 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -26.2 | 179.4 | 79.3 | 0 | 0 | 0 | 0 | 112.4 | K49 F51 E58 T205 | K49-S207 WeakPolarHBondContact CE-O 3.48Å; K49-S207 PolarHBondContact NZ-O 3.33Å; F51-S207 VanDerWaalsContact CE2-O 3.31Å; F51-S207 WeakPolarHBondContact CE2-O 3.4Å; F51-S207 WeakPolarHBondContact CZ-O 3.4Å; E58-S207 WeakPolarHBondContact OE2-CB 3.45Å; E58-S207 PolarHBondContact OE2-OG 2.84Å; T205-S207 PolarHBondContact O-N 3.15Å; T205-S207 VanDerWaalsContact O-N 3.11Å; T205-S207 PolarHBondContact OG1-N 2.92Å; T205-S207 PolarHBondContact OG1-OG 2.82Å; T205-S207 VanDerWaalsContact OG1-OG 3.14Å |
| 208 | N | 95 | Very high | 93.9 | Very high | 19 Ų | 19 | 53.5 Ų | 53.5 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -0.3 | -174.1 | 68.7 | 29.3 | 0 | 0 | 0 | 114.9 | K49 F51 F200 Q203 T205 | K49-N208 PolarHBondContact N-O 3.49Å; F51-N208 HydrophobicContact CD2-CB 4.48Å; F51-N208 HydrophobicContact CE2-CB 3.97Å; F200-N208 HydrophobicContact CZ-CB 4.05Å; F200-N208 VanDerWaalsContact CZ-ND2 3.34Å; F200-N208 WeakPolarHBondContact CZ-ND2 3.44Å; F200-N208 WeakPolarHBondContact CZ-OD1 3.24Å; Q203-N208 PolarHBondContact O-ND2 2.96Å; T205-N208 PolarHBondContact N-ND2 2.89Å; T205-N208 PolarHBondContact N-OD1 3.23Å; T205-N208 PolarHBondContact O-N 3.11Å; T205-N208 VanDerWaalsContact O-N 3.15Å; T205-N208 PolarHBondContact O-OD1 3.4Å; T205-N208 PolarHBondContact OG1-N 3.47Å; T205-N208 PolarHBondContact OG1-ND2 3.4Å |
| 209 | I | 96.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 161.5 | 165.2 | 59.6 | 160.3 | 0 | 0 | 0 | 111.1 | A47 V48 K49 I193 L196 F200 M204 T205 V211 V227 L231 | A47-I209 CarbonylContact O-C 3.59Å; A47-I209 VanDerWaalsContact O-CA 3.23Å; A47-I209 WeakPolarHBondContact O-CA 3.46Å; V48-I209 HydrophobicContact CG2-CG2 4.43Å; K49-I209 WeakPolarHBondContact CE-O 3.49Å; I193-I209 HydrophobicContact CG1-CD1 4.41Å; I193-I209 HydrophobicContact CG2-CD1 4.16Å; L196-I209 HydrophobicContact CD1-CG2 4.14Å; F200-I209 HydrophobicContact CE2-CG2 4.17Å; M204-I209 HydrophobicContact CE-CG2 4.05Å; M204-I209 HydrophobicContact CG-CD1 4.17Å; M204-I209 HydrophobicContact CG-CG1 4.22Å; M204-I209 HydrophobicContact CG-CG2 3.66Å; M204-I209 HydrophobicContact SD-CD1 3.88Å; M204-I209 HydrophobicContact SD-CG1 4.47Å; M204-I209 HydrophobicContact SD-CG2 3.8Å; T205-I209 WeakPolarHBondContact O-CG1 3.43Å; T205-I209 PolarHBondContact O-N 2.79Å; I209-V211 HydrophobicContact CD1-CG2 4.23Å; I209-V227 HydrophobicContact CD1-CG1 3.6Å; I209-V227 HydrophobicContact CG1-CG1 3.82Å; I209-L231 HydrophobicContact CD1-CD1 4.42Å; I209-L231 HydrophobicContact CD1-CD2 4.2Å; I209-L231 HydrophobicContact CD1-CG 4.48Å |
| 210 | E | 97.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 137.7 | 172.3 | -170.2 | 169.5 | -125.1 | 0 | 0 | 108.4 | A46 A47 K49 K63 I64 I221 | A46-E210 CarbonylContact C-O 3.55Å; A46-E210 WeakPolarHBondContact CA-O 3.48Å; A47-E210 PolarHBondContact N-O 3.15Å; A47-E210 PolarHBondContact O-N 3.26Å; K49-E210 HydrophobicContact CD-CB 4.3Å; K49-E210 HydrophobicContact CG-CB 4.38Å; K63-E210 PolarHBondContact N-OE2 3.06Å; I64-E210 HydrophobicContact CB-CG 4.17Å; I64-E210 HydrophobicContact CD1-CB 4.3Å; I64-E210 HydrophobicContact CD1-CG 4.14Å; I64-E210 VanDerWaalsContact CD1-O 3.3Å; I64-E210 WeakPolarHBondContact CD1-O 3.22Å; I64-E210 HydrophobicContact CG1-CB 4.36Å; I64-E210 HydrophobicContact CG1-CG 4.1Å; I64-E210 PolarHBondContact N-OE2 3.35Å; E210-I221 HydrophobicContact CG-CG2 3.95Å |
| 211 | V | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.2 | -176.3 | -176 | 0 | 0 | 0 | 0 | 108.9 | V44 L45 A46 T189 I193 I209 I221 L222 V227 | V44-V211 HydrophobicContact CG2-CG1 3.79Å; L45-V211 CarbonylContact O-C 3.57Å; L45-V211 WeakPolarHBondContact O-CA 3.35Å; A46-V211 HydrophobicContact CB-CG2 4.28Å; T189-V211 HydrophobicContact CG2-CG1 3.92Å; I193-V211 HydrophobicContact CD1-CG2 4.25Å; I193-V211 HydrophobicContact CG1-CG2 4.19Å; I209-V211 HydrophobicContact CD1-CG2 4.23Å; V211-I221 WeakPolarHBondContact O-CG2 3.44Å; V211-L222 HydrophobicContact CB-CB 4.42Å; V211-L222 HydrophobicContact CB-CD1 3.96Å; V211-L222 HydrophobicContact CB-CG 4.24Å; V211-L222 HydrophobicContact CG1-CD1 3.61Å; V211-L222 HydrophobicContact CG1-CG 4.12Å; V211-L222 PolarHBondContact O-N 3.33Å; V211-V227 HydrophobicContact CB-CG2 4.35Å; V211-V227 HydrophobicContact CG2-CG2 4.28Å |
| 212 | G | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 139.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V44 L45 R220 | V44-G212 CarbonylContact C-O 3.59Å; V44-G212 WeakPolarHBondContact CA-O 3.43Å; L45-G212 PolarHBondContact N-O 3.27Å; L45-G212 PolarHBondContact O-N 2.78Å; G212-R220 CarbonylContact C-O 3.56Å; G212-R220 WeakPolarHBondContact CA-O 3.41Å |
| 213 | V | 98.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 46 Ų | 46 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 144.9 | -178.4 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | V43 V44 L185 F219 R220 L222 | V43-V213 CarbonylContact O-C 3.42Å; V43-V213 WeakPolarHBondContact O-CA 3.39Å; V44-V213 HydrophobicContact CB-CG1 4.28Å; V44-V213 HydrophobicContact CG2-CG1 3.99Å; L185-V213 HydrophobicContact CD1-CB 4.34Å; L185-V213 HydrophobicContact CD1-CG1 4.3Å; L185-V213 HydrophobicContact CD2-CB 4.27Å; V213-F219 WeakPolarHBondContact O-CA 3.47Å; V213-F219 WeakPolarHBondContact O-CD2 3.32Å; V213-R220 HydrophobicContact CG2-CG 3.87Å; V213-R220 PolarHBondContact N-O 3.19Å; V213-R220 PolarHBondContact O-N 3.31Å; V213-L222 HydrophobicContact CG1-CD1 4.39Å; V213-L222 HydrophobicContact CG1-CD2 4.23Å; V213-L222 HydrophobicContact CG1-CG 4.37Å; V213-L222 HydrophobicContact CG2-CD2 3.71Å |
| 214 | C | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.3 | 171.1 | -155.6 | 0 | 0 | 0 | 0 | 110.4 | G42 V43 G70 G218 F219 | G42-C214 CarbonylContact C-O 3.51Å; G42-C214 WeakPolarHBondContact CA-O 3.39Å; V43-C214 HydrophobicContact CG1-CB 3.54Å; V43-C214 PolarHBondContact N-O 3.26Å; V43-C214 PolarHBondContact O-N 3.27Å; G70-C214 PolarHBondContact O-SG 3.18Å; C214-G218 WeakPolarHBondContact CA-O 3.43Å; C214-G218 VanDerWaalsContact SG-C 3.6Å; C214-F219 HydrophobicContact CB-CB 4.44Å; C214-F219 HydrophobicContact CB-CD2 3.9Å |
| 215 | N | 98.1 | Very high | 97.2 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | -164.7 | 165.1 | 60.6 | 21 | 0 | 0 | 0 | 109.3 | N41 W138 L185 N217 G218 | N41-N215 WeakPolarHBondContact O-CB 3.37Å; W138-N215 WeakPolarHBondContact CB-O 3.4Å; L185-N215 HydrophobicContact CD2-CB 4.19Å; N215-N217 PolarHBondContact O-N 3.42Å; N215-N217 VanDerWaalsContact O-N 3.12Å; N215-N217 VanDerWaalsContact OD1-CB 3.3Å; N215-N217 WeakPolarHBondContact OD1-CB 3.31Å; N215-N217 PolarHBondContact OD1-N 3.36Å; N215-G218 PolarHBondContact N-O 3.39Å; N215-G218 VanDerWaalsContact N-O 3.17Å; N215-G218 PolarHBondContact O-N 3.47Å |
| 216 | E | 97.2 | Very high | 97.4 | Very high | 124 Ų | 124 | 45.9 Ų | 45.9 | 58% | 0.579 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28.6 | 176.9 | 65.1 | -179.3 | 173.3 | 0 | 0 | 114 | W138 G218 | W138-E216 HydrophobicContact CD2-CB 4.3Å; W138-E216 HydrophobicContact CH2-CB 4.44Å; W138-E216 HydrophobicContact CZ2-CB 3.91Å; E216-G218 VanDerWaalsContact C-N 3.26Å; E216-G218 PolarHBondContact O-N 3.17Å |
| 217 | N | 97.3 | Very high | 97.5 | Very high | 135 Ų | 135 | 43.4 Ų | 43.4 | 72% | 0.722 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9 | -179.9 | -60.7 | -61.3 | 0 | 0 | 0 | 112.9 | N215 | N215-N217 PolarHBondContact O-N 3.42Å; N215-N217 VanDerWaalsContact O-N 3.12Å; N215-N217 VanDerWaalsContact OD1-CB 3.3Å; N215-N217 WeakPolarHBondContact OD1-CB 3.31Å; N215-N217 PolarHBondContact OD1-N 3.36Å |
| 218 | G | 97.6 | Very high | 97.7 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 9% | 0.093 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.4 | -169.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K69 C214 N215 E216 | K69-G218 CarbonylContact O-C 3.51Å; K69-G218 WeakPolarHBondContact O-CA 3.27Å; C214-G218 WeakPolarHBondContact CA-O 3.43Å; C214-G218 VanDerWaalsContact SG-C 3.6Å; N215-G218 PolarHBondContact N-O 3.39Å; N215-G218 VanDerWaalsContact N-O 3.17Å; N215-G218 PolarHBondContact O-N 3.47Å; E216-G218 VanDerWaalsContact C-N 3.26Å; E216-G218 PolarHBondContact O-N 3.17Å |
| 219 | F | 98.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 135.2 | -179.1 | -175.9 | -92.1 | 0 | 0 | 0 | 110.7 | L45 I64 Q66 K69 V213 C214 I221 | L45-F219 HydrophobicContact CD1-CE2 4.27Å; I64-F219 HydrophobicContact CG2-CE1 4.11Å; I64-F219 HydrophobicContact CG2-CZ 3.55Å; Q66-F219 HydrophobicContact CB-CD1 3.95Å; Q66-F219 HydrophobicContact CB-CE1 4.29Å; Q66-F219 HydrophobicContact CG-CD1 3.97Å; Q66-F219 PolarHBondContact NE2-O 2.84Å; K69-F219 PolarHBondContact O-N 2.86Å; V213-F219 WeakPolarHBondContact O-CA 3.47Å; V213-F219 WeakPolarHBondContact O-CD2 3.32Å; C214-F219 HydrophobicContact CB-CB 4.44Å; C214-F219 HydrophobicContact CB-CD2 3.9Å; F219-I221 HydrophobicContact CE1-CG1 4.04Å |
| 220 | R | 98.3 | Very high | 97.8 | Very high | 120 Ų | 120 | 52.4 Ų | 52.4 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 151.8 | 170.9 | 68.6 | -176 | -173 | 98.7 | -3.5 | 111.3 | G212 V213 E226 | G212-R220 CarbonylContact C-O 3.56Å; G212-R220 WeakPolarHBondContact CA-O 3.41Å; V213-R220 HydrophobicContact CG2-CG 3.87Å; V213-R220 PolarHBondContact N-O 3.19Å; V213-R220 PolarHBondContact O-N 3.31Å; R220-E226 IonicContact CZ-OE1 2.73Å; R220-E226 VanDerWaalsContact CZ-OE1 3.23Å; R220-E226 VanDerWaalsContact NH1-CD 3.34Å; R220-E226 IonicContact NH1-OE1 3.5Å; R220-E226 PolarHBondContact NH1-OE1 3.31Å; R220-E226 IonicContact NH1-OE2 3.64Å; R220-E226 PolarHBondContact NH1-OE2 3.3Å; R220-E226 VanDerWaalsContact NH1-OE2 3.11Å; R220-E226 IonicContact NH2-OE1 3.69Å; R220-E226 PolarHBondContact NH2-OE1 3.41Å |
| 221 | I | 98.4 | Very high | 97.7 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 33% | 0.328 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 134.9 | 168.4 | -57.3 | 173.1 | 0 | 0 | 0 | 107.1 | I64 E210 V211 F219 | I64-I221 HydrophobicContact CG2-CG1 4.31Å; I64-I221 VanDerWaalsContact O-CD1 3.26Å; I64-I221 WeakPolarHBondContact O-CD1 3.25Å; E210-I221 HydrophobicContact CG-CG2 3.95Å; V211-I221 WeakPolarHBondContact O-CG2 3.44Å; F219-I221 HydrophobicContact CE1-CG1 4.04Å |
| 222 | L | 98.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 145.1 | 177.4 | -61.8 | -170.7 | 0 | 0 | 0 | 110.3 | T189 V211 V213 E226 V227 Y230 | T189-L222 HydrophobicContact CG2-CD1 4.28Å; V211-L222 HydrophobicContact CB-CB 4.42Å; V211-L222 HydrophobicContact CB-CD1 3.96Å; V211-L222 HydrophobicContact CB-CG 4.24Å; V211-L222 HydrophobicContact CG1-CD1 3.61Å; V211-L222 HydrophobicContact CG1-CG 4.12Å; V211-L222 PolarHBondContact O-N 3.33Å; V213-L222 HydrophobicContact CG1-CD1 4.39Å; V213-L222 HydrophobicContact CG1-CD2 4.23Å; V213-L222 HydrophobicContact CG1-CG 4.37Å; V213-L222 HydrophobicContact CG2-CD2 3.71Å; L222-E226 HydrophobicContact CB-CB 4.17Å; L222-V227 HydrophobicContact CB-CG2 3.95Å; L222-Y230 HydrophobicContact CD1-CD2 4.1Å; L222-Y230 HydrophobicContact CD1-CE2 3.76Å |
| 223 | T | 97.6 | Very high | 97.1 | Very high | 76 Ų | 76 | 60.2 Ų | 60.2 | 47% | 0.466 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 160.6 | 174.1 | 61.2 | 0 | 0 | 0 | 0 | 111 | D225 E226 V227 | T223-D225 PolarHBondContact O-N 2.92Å; T223-E226 WeakPolarHBondContact CB-OE2 3.43Å; T223-E226 PolarHBondContact N-OE2 3.49Å; T223-E226 PolarHBondContact O-N 2.99Å; T223-E226 VanDerWaalsContact OG1-CG 3.31Å; T223-E226 WeakPolarHBondContact OG1-CG 3.26Å; T223-E226 PolarHBondContact OG1-N 3.34Å; T223-E226 PolarHBondContact OG1-OE2 3.33Å; T223-V227 WeakPolarHBondContact O-CG2 3.43Å; T223-V227 PolarHBondContact O-N 2.94Å |
| 224 | S | 95.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 60.5 Ų | 60.5 | 49% | 0.49 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.6 | -36.2 | 176.8 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | E206 V227 K228 | E206-S224 WeakPolarHBondContact CB-O 3.29Å; S224-V227 PolarHBondContact O-N 2.89Å; S224-K228 WeakPolarHBondContact O-CG 3.46Å; S224-K228 PolarHBondContact O-N 3.29Å |
| 225 | D | 97.6 | Very high | 95.1 | Very high | 102 Ų | 102 | 68.1 Ų | 68.1 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -71.3 | -43.1 | 179 | -64.7 | -29.5 | 0 | 0 | 0 | 111.5 | T223 V227 K228 D229 | T223-D225 PolarHBondContact O-N 2.92Å; D225-V227 VanDerWaalsContact C-N 3.28Å; D225-V227 PolarHBondContact O-N 3.46Å; D225-K228 WeakPolarHBondContact O-CB 3.5Å; D225-K228 PolarHBondContact O-N 3.02Å; D225-K228 VanDerWaalsContact O-N 3.11Å; D225-K228 IonicContact OD1-NZ 2.69Å; D225-D229 PolarHBondContact O-N 3.49Å |
| 226 | E | 98 | Very high | 94.9 | Very high | 48 Ų | 48 | 69.2 Ų | 69.2 | 22% | 0.224 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 173 | -72.3 | 170 | 112.4 | 0 | 0 | 111.5 | R220 L222 T223 D229 Y230 | R220-E226 IonicContact CZ-OE1 2.73Å; R220-E226 VanDerWaalsContact CZ-OE1 3.23Å; R220-E226 VanDerWaalsContact NH1-CD 3.34Å; R220-E226 IonicContact NH1-OE1 3.5Å; R220-E226 PolarHBondContact NH1-OE1 3.31Å; R220-E226 IonicContact NH1-OE2 3.64Å; R220-E226 PolarHBondContact NH1-OE2 3.3Å; R220-E226 VanDerWaalsContact NH1-OE2 3.11Å; R220-E226 IonicContact NH2-OE1 3.69Å; R220-E226 PolarHBondContact NH2-OE1 3.41Å; L222-E226 HydrophobicContact CB-CB 4.17Å; T223-E226 WeakPolarHBondContact CB-OE2 3.43Å; T223-E226 PolarHBondContact N-OE2 3.49Å; T223-E226 PolarHBondContact O-N 2.99Å; T223-E226 VanDerWaalsContact OG1-CG 3.31Å; T223-E226 WeakPolarHBondContact OG1-CG 3.26Å; T223-E226 PolarHBondContact OG1-N 3.34Å; T223-E226 PolarHBondContact OG1-OE2 3.33Å; E226-D229 PolarHBondContact O-N 2.81Å; E226-Y230 WeakPolarHBondContact O-CD2 3.32Å; E226-Y230 PolarHBondContact O-N 3.18Å |
| 227 | V | 97.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.024 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.5 | -39 | 176.9 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | E206 I209 V211 L222 T223 S224 D225 D229 Y230 L231 | E206-V227 HydrophobicContact CB-CB 4.21Å; E206-V227 HydrophobicContact CB-CG1 4.08Å; I209-V227 HydrophobicContact CD1-CG1 3.6Å; I209-V227 HydrophobicContact CG1-CG1 3.82Å; V211-V227 HydrophobicContact CB-CG2 4.35Å; V211-V227 HydrophobicContact CG2-CG2 4.28Å; L222-V227 HydrophobicContact CB-CG2 3.95Å; T223-V227 WeakPolarHBondContact O-CG2 3.43Å; T223-V227 PolarHBondContact O-N 2.94Å; S224-V227 PolarHBondContact O-N 2.89Å; D225-V227 VanDerWaalsContact C-N 3.28Å; D225-V227 PolarHBondContact O-N 3.46Å; V227-D229 VanDerWaalsContact C-N 3.33Å; V227-D229 PolarHBondContact O-N 2.95Å; V227-Y230 PolarHBondContact O-N 3.22Å; V227-L231 HydrophobicContact CG1-CD1 4.07Å; V227-L231 HydrophobicContact CG1-CG 4.43Å; V227-L231 WeakPolarHBondContact O-CG 3.13Å; V227-L231 PolarHBondContact O-N 3.07Å |
| 228 | K | 96.7 | Very high | 94.7 | Very high | 85 Ų | 85 | 62.4 Ų | 62.4 | 37% | 0.37 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 173.7 | -76.2 | 175.9 | -176.8 | 166.5 | 0 | 111.9 | E206 S224 D225 Y230 L231 A232 | E206-K228 HydrophobicContact CB-CG 3.85Å; E206-K228 HydrophobicContact CG-CD 4.39Å; E206-K228 HydrophobicContact CG-CG 3.97Å; E206-K228 WeakPolarHBondContact OE1-CE 3.47Å; E206-K228 IonicContact OE1-NZ 3.96Å; E206-K228 PolarHBondContact OE1-NZ 2.93Å; E206-K228 WeakPolarHBondContact OE2-CE 3.42Å; S224-K228 WeakPolarHBondContact O-CG 3.46Å; S224-K228 PolarHBondContact O-N 3.29Å; D225-K228 WeakPolarHBondContact O-CB 3.5Å; D225-K228 PolarHBondContact O-N 3.02Å; D225-K228 VanDerWaalsContact O-N 3.11Å; D225-K228 IonicContact OD1-NZ 2.69Å; K228-Y230 VanDerWaalsContact C-N 3.33Å; K228-Y230 PolarHBondContact O-N 3.42Å; K228-L231 PolarHBondContact O-N 3.24Å; K228-L231 VanDerWaalsContact O-N 3.14Å; K228-A232 WeakPolarHBondContact O-CB 3.49Å; K228-A232 PolarHBondContact O-N 3.07Å |
| 229 | D | 96.9 | Very high | 94.5 | Very high | 113 Ų | 113 | 65.6 Ų | 65.6 | 60% | 0.604 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.3 | -44 | 179.8 | -67.7 | -21.4 | 0 | 0 | 0 | 110.9 | D225 E226 V227 L231 A232 A233 | D225-D229 PolarHBondContact O-N 3.49Å; E226-D229 PolarHBondContact O-N 2.81Å; V227-D229 VanDerWaalsContact C-N 3.33Å; V227-D229 PolarHBondContact O-N 2.95Å; D229-L231 PolarHBondContact O-N 2.87Å; D229-A232 PolarHBondContact O-N 3Å; D229-A233 PolarHBondContact O-N 2.85Å; D229-A233 VanDerWaalsContact O-N 3.13Å |
| 230 | Y | 96.9 | Very high | 94.3 | Very high | 48 Ų | 48 | 69.2 Ų | 69.2 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 173.1 | -81.1 | -72.4 | 0 | 0 | 0 | 112.8 | E186 T189 I193 L222 E226 V227 K228 A233 I234 | E186-Y230 HydrophobicContact CG-CE1 4.2Å; T189-Y230 HydrophobicContact CG2-CD1 4.01Å; T189-Y230 HydrophobicContact CG2-CD2 4.06Å; T189-Y230 HydrophobicContact CG2-CE1 3.65Å; T189-Y230 HydrophobicContact CG2-CE2 3.75Å; T189-Y230 HydrophobicContact CG2-CG 4.21Å; I193-Y230 HydrophobicContact CD1-CD1 4.4Å; I193-Y230 HydrophobicContact CD1-CG 3.94Å; L222-Y230 HydrophobicContact CD1-CD2 4.1Å; L222-Y230 HydrophobicContact CD1-CE2 3.76Å; E226-Y230 WeakPolarHBondContact O-CD2 3.32Å; E226-Y230 PolarHBondContact O-N 3.18Å; V227-Y230 PolarHBondContact O-N 3.22Å; K228-Y230 VanDerWaalsContact C-N 3.33Å; K228-Y230 PolarHBondContact O-N 3.42Å; Y230-A233 PolarHBondContact O-N 3.1Å; Y230-I234 WeakPolarHBondContact O-CG1 3.18Å; Y230-I234 PolarHBondContact O-N 2.92Å |
| 231 | L | 95.3 | Very high | 94 | Very high | 33 Ų | 33 | 65.8 Ų | 65.8 | 17% | 0.173 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.8 | -36.3 | 178.3 | -71.8 | 171 | 0 | 0 | 0 | 112.3 | I193 M204 T205 I209 V227 K228 D229 A233 I234 | I193-L231 HydrophobicContact CG2-CD2 3.85Å; M204-L231 HydrophobicContact CB-CD2 4.18Å; M204-L231 HydrophobicContact CG-CD2 3.76Å; M204-L231 HydrophobicContact SD-CD2 3.66Å; T205-L231 VanDerWaalsContact C-CD1 3.5Å; I209-L231 HydrophobicContact CD1-CD1 4.42Å; I209-L231 HydrophobicContact CD1-CD2 4.2Å; I209-L231 HydrophobicContact CD1-CG 4.48Å; V227-L231 HydrophobicContact CG1-CD1 4.07Å; V227-L231 HydrophobicContact CG1-CG 4.43Å; V227-L231 WeakPolarHBondContact O-CG 3.13Å; V227-L231 PolarHBondContact O-N 3.07Å; K228-L231 PolarHBondContact O-N 3.24Å; K228-L231 VanDerWaalsContact O-N 3.14Å; D229-L231 PolarHBondContact O-N 2.87Å; L231-A233 VanDerWaalsContact C-N 3.3Å; L231-A233 PolarHBondContact O-N 3.46Å; L231-I234 HydrophobicContact CD2-CD1 4.49Å; L231-I234 PolarHBondContact O-N 2.72Å |
| 232 | A | 94.4 | Very high | 93.7 | Very high | 87 Ų | 87 | 65.9 Ų | 65.9 | 72% | 0.719 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69.3 | -28.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K228 D229 I234 | K228-A232 WeakPolarHBondContact O-CB 3.49Å; K228-A232 PolarHBondContact O-N 3.07Å; D229-A232 PolarHBondContact O-N 3Å; A232-I234 VanDerWaalsContact C-N 3.29Å |
| 233 | A | 91 | Very high | 93.3 | Very high | 66 Ų | 66 | 69.9 Ų | 69.9 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -11.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H190 D229 Y230 L231 | H190-A233 PolarHBondContact CE1-O 3.09Å; D229-A233 PolarHBondContact O-N 2.85Å; D229-A233 VanDerWaalsContact O-N 3.13Å; Y230-A233 PolarHBondContact O-N 3.1Å; L231-A233 VanDerWaalsContact C-N 3.3Å; L231-A233 PolarHBondContact O-N 3.46Å |
| 234 | I | 84.3 | Confident | 93 | Very high | 17 Ų | 17 | 69.4 Ų | 69.4 | 9% | 0.087 | 42% | 0.417 | C | S | . | . | trans | -87.3 | 122.7 | 178 | -71.4 | 167.1 | 0 | 0 | 0 | 109.6 | H190 I193 L194 K197 Y230 L231 A232 | H190-I234 WeakPolarHBondContact CE1-CG1 3.08Å; I193-I234 HydrophobicContact CB-CD1 3.81Å; I193-I234 HydrophobicContact CG2-CD1 3.28Å; L194-I234 HydrophobicContact CD2-CB 4.41Å; L194-I234 HydrophobicContact CD2-CD1 4.33Å; L194-I234 HydrophobicContact CD2-CG1 4.07Å; L194-I234 HydrophobicContact CD2-CG2 3.54Å; L194-I234 HydrophobicContact CG-CD1 4.45Å; L194-I234 HydrophobicContact CG-CG1 4.36Å; K197-I234 HydrophobicContact CD-CG2 3.91Å; Y230-I234 WeakPolarHBondContact O-CG1 3.18Å; Y230-I234 PolarHBondContact O-N 2.92Å; L231-I234 HydrophobicContact CD2-CD1 4.49Å; L231-I234 PolarHBondContact O-N 2.72Å; A232-I234 VanDerWaalsContact C-N 3.29Å | ||
| 235 | P | 71.1 | Confident | 92.7 | Very high | 160 Ų | 160 | 69.4 Ų | 69.4 | 100% | 1.039 | 41% | 0.411 | S | S | * | . | trans | -66.2 | 0 | 176.5 | 27.6 | -33.5 | 0 | 0 | 0 | 113.4 | K197 | K197-P235 PolarHBondContact NZ-O 3.49Š|
Retrieved 235 of 235 residues in 445.4 ms
(Link to these results)