| 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 | 28.3 | Very low | 30.5 | Very low | 221 Ų | 221 | 127.2 Ų | 127.2 | 100% | 1.089 | 62% | 0.623 | S | S | * | * | 0 | 3.3 | 0 | -94.3 | -170.4 | -95.2 | 0 | 0 | 114.7 | |||||
| 2 | T | 28.9 | Very low | 30.8 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -16.7 | 179 | 36.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 3 | A | 26.5 | Very low | 31 | Very low | 63 Ų | 63 | 120.9 Ų | 120.9 | 52% | 0.521 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -76.7 | -19.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S6 H7 | A3-S6 PolarHBondContact O-OG 3.23Å; A3-H7 PolarHBondContact O-CD2 3.39Å |
| 4 | L | 26.7 | Very low | 31.3 | Very low | 143 Ų | 143 | 119.1 Ų | 119.1 | 75% | 0.749 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.5 | -29 | -179.6 | -112.5 | 95.3 | 0 | 0 | 0 | 112.7 | ||
| 5 | Y | 29.8 | Very low | 31.1 | Very low | 185 Ų | 185 | 115.5 Ų | 115.5 | 73% | 0.725 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -76.7 | -31.5 | -179.2 | -81.9 | -80.9 | 0 | 0 | 0 | 112.9 | ||
| 6 | S | 32.8 | Very low | 31.1 | Very low | 46 Ų | 46 | 121.3 Ų | 121.3 | 32% | 0.322 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.9 | -33.3 | 174.4 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | A3 R8 L9 V10 | A3-S6 PolarHBondContact O-OG 3.23Å; S6-R8 VanDerWaalsContact C-N 3.34Å; S6-R8 PolarHBondContact O-N 3Å; S6-L9 PolarHBondContact O-N 3.24Å; S6-V10 WeakPolarHBondContact O-CG2 3.21Å; S6-V10 PolarHBondContact O-N 3.44Å |
| 7 | H | 31.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 45% | 0.454 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.7 | -32.2 | 177.5 | -92.3 | -72.4 | 0 | 0 | 0 | 113.9 | A3 V10 Y11 | A3-H7 PolarHBondContact O-CD2 3.39Å; H7-V10 PolarHBondContact O-N 3.04Å; H7-Y11 PolarHBondContact O-N 3.19Å |
| 8 | R | 31.6 | Very low | 31.2 | Very low | 192 Ų | 192 | 119.4 Ų | 119.4 | 73% | 0.725 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.9 | -36.4 | -179.5 | -124.9 | -179.8 | -178.2 | -173.5 | -0 | 112.5 | S6 L12 | S6-R8 VanDerWaalsContact C-N 3.34Å; S6-R8 PolarHBondContact O-N 3Å; R8-L12 PolarHBondContact O-N 2.84Å |
| 9 | L | 32.7 | Very low | 31.2 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 56% | 0.56 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.2 | -39.8 | 174.4 | -94.9 | 150.9 | 0 | 0 | 0 | 112 | S6 Y11 L12 F13 | S6-L9 PolarHBondContact O-N 3.24Å; L9-Y11 PolarHBondContact O-N 2.95Å; L9-L12 PolarHBondContact O-N 2.83Å; L9-F13 HydrophobicContact CD2-CE2 3.98Å; L9-F13 WeakPolarHBondContact O-CD2 3.48Å |
| 10 | V | 34.7 | Very low | 31.6 | Very low | 32 Ų | 32 | 115.9 Ų | 115.9 | 19% | 0.194 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -63.9 | -38.7 | 179.7 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | S6 H7 L14 | S6-V10 WeakPolarHBondContact O-CG2 3.21Å; S6-V10 PolarHBondContact O-N 3.44Å; H7-V10 PolarHBondContact O-N 3.04Å; V10-L14 HydrophobicContact CG1-CD1 4.45Å |
| 11 | Y | 32.1 | Very low | 31.8 | Very low | 181 Ų | 181 | 110.4 Ų | 110.4 | 71% | 0.71 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -74.7 | -31.4 | 179.9 | -98.8 | -82.5 | 0 | 0 | 0 | 114 | H7 L9 F13 | H7-Y11 PolarHBondContact O-N 3.19Å; L9-Y11 PolarHBondContact O-N 2.95Å; Y11-F13 VanDerWaalsContact C-N 3.26Å; Y11-F13 PolarHBondContact O-N 2.96Å |
| 12 | L | 34.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 100 Ų | 100 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.5 | -27.1 | 178.4 | -99.4 | 153 | 0 | 0 | 0 | 112.9 | R8 L9 | R8-L12 PolarHBondContact O-N 2.84Å; L9-L12 PolarHBondContact O-N 2.83Å |
| 13 | F | 32.7 | Very low | 32.5 | Very low | 47 Ų | 47 | 94.9 Ų | 94.9 | 21% | 0.206 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -80.3 | -28.2 | -177.7 | -81.8 | -57.2 | 0 | 0 | 0 | 114.7 | L9 Y11 G15 L24 R26 | L9-F13 HydrophobicContact CD2-CE2 3.98Å; L9-F13 WeakPolarHBondContact O-CD2 3.48Å; Y11-F13 VanDerWaalsContact C-N 3.26Å; Y11-F13 PolarHBondContact O-N 2.96Å; F13-G15 VanDerWaalsContact C-N 3.29Å; F13-G15 PolarHBondContact O-N 2.64Å; F13-L24 HydrophobicContact CB-CD2 4.22Å; F13-L24 VanDerWaalsContact CB-O 3.27Å; F13-L24 WeakPolarHBondContact CB-O 3.5Å; F13-L24 WeakPolarHBondContact CD1-O 3.38Å; F13-L24 WeakPolarHBondContact CD2-O 3.49Å; F13-L24 WeakPolarHBondContact CE1-O 3.47Å; F13-L24 WeakPolarHBondContact CG-O 3.48Å; F13-L24 WeakPolarHBondContact O-CD2 3.37Å; F13-R26 HydrophobicContact CE1-CB 3.97Å; F13-R26 HydrophobicContact CE1-CG 4.28Å; F13-R26 HydrophobicContact CZ-CB 4.46Å |
| 14 | L | 35 | Very low | 33 | Very low | 96 Ų | 96 | 92.6 Ų | 92.6 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -7.9 | -170.9 | -73.2 | 161.6 | 0 | 0 | 0 | 114.7 | V10 L24 L128 | V10-L14 HydrophobicContact CG1-CD1 4.45Å; L14-L24 HydrophobicContact CD2-CD2 4.25Å; L14-L128 HydrophobicContact CD2-CD2 3.42Å; L14-L128 VanDerWaalsContact CD2-CD2 3.42Å |
| 15 | G | 29.4 | Very low | 33.7 | Very low | 64 Ų | 64 | 86.2 Ų | 86.2 | 66% | 0.66 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -10 | -164.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | F13 | F13-G15 VanDerWaalsContact C-N 3.29Å; F13-G15 PolarHBondContact O-N 2.64Å |
| 16 | R | 29.9 | Very low | 34.3 | Very low | 209 Ų | 209 | 81.6 Ų | 81.6 | 79% | 0.789 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -142.8 | 126.2 | -170.1 | -69.1 | -170.3 | 174.8 | -178.4 | -1.5 | 114.9 | ||
| 17 | S | 32.2 | Very low | 34.7 | Very low | 88 Ų | 88 | 81 Ų | 81 | 62% | 0.615 | 40% | 0.404 | S | S | * | . | trans | 31.2 | 109.5 | 169.5 | 72.8 | 0 | 0 | 0 | 0 | 118.2 | N19 T23 | S17-N19 VanDerWaalsContact C-N 3.3Å; S17-N19 PolarHBondContact O-N 3.24Å; S17-T23 PolarHBondContact O-OG1 3.26Å | ||
| 18 | L | 32.2 | Very low | 35 | Very low | 120 Ų | 120 | 80.8 Ų | 80.8 | 63% | 0.628 | 40% | 0.403 | S | S | * | . | trans | -68 | 72.6 | 174.6 | -74 | 155.3 | 0 | 0 | 0 | 112.6 | L123 | L18-L123 HydrophobicContact CB-CD1 3.81Å; L18-L123 HydrophobicContact CD2-CD1 3.82Å; L18-L123 HydrophobicContact CD2-CD2 4.34Å; L18-L123 HydrophobicContact CG-CD1 4.45Å | ||
| 19 | N | 31.8 | Very low | 35.6 | Very low | 118 Ų | 118 | 72.8 Ų | 72.8 | 63% | 0.631 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -117.5 | 98.2 | 164.4 | -78 | -18.4 | 0 | 0 | 0 | 108.5 | S17 T23 | S17-N19 VanDerWaalsContact C-N 3.3Å; S17-N19 PolarHBondContact O-N 3.24Å; N19-T23 HydrophobicContact CB-CG2 4.44Å; N19-T23 WeakPolarHBondContact O-CB 3.35Å; N19-T23 WeakPolarHBondContact O-CG2 3.44Å; N19-T23 PolarHBondContact O-OG1 3.04Å |
| 20 | T | 38 | Very low | 36.2 | Very low | 50 Ų | 50 | 71.7 Ų | 71.7 | 31% | 0.307 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | 61.8 | 144.4 | -176.3 | 30.8 | 0 | 0 | 0 | 0 | 116.5 | S22 T23 | T20-S22 WeakPolarHBondContact CB-OG 3.3Å; T20-S22 PolarHBondContact O-N 3.06Å; T20-S22 PolarHBondContact OG1-OG 3.17Å; T20-T23 PolarHBondContact O-N 3.02Å; T20-T23 PolarHBondContact O-OG1 2.9Å |
| 21 | A | 36.5 | Very low | 36.7 | Very low | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.008 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.8 | -16.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | T23 L24 Y118 L123 | A21-T23 VanDerWaalsContact C-N 3.33Å; A21-T23 PolarHBondContact O-N 3Å; A21-L24 WeakPolarHBondContact O-CB 3.25Å; A21-L24 PolarHBondContact O-N 2.85Å; A21-Y118 HydrophobicContact CB-CE1 3.88Å; A21-L123 HydrophobicContact CB-CD2 3.98Å |
| 22 | S | 38 | Very low | 37.5 | Very low | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.014 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.7 | -35.1 | 167.8 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | T20 L24 I25 L268 | T20-S22 WeakPolarHBondContact CB-OG 3.3Å; T20-S22 PolarHBondContact O-N 3.06Å; T20-S22 PolarHBondContact OG1-OG 3.17Å; S22-L24 PolarHBondContact O-N 3.45Å; S22-I25 CarbonylContact O-C 3.52Å; S22-I25 PolarHBondContact O-N 3.49Å; S22-L268 WeakPolarHBondContact O-CD1 3.44Å; S22-L268 WeakPolarHBondContact O-CD2 3.36Å |
| 23 | T | 34.3 | Very low | 38.5 | Very low | 24 Ų | 24 | 70 Ų | 70 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.1 | -26.4 | 175.9 | 49 | 0 | 0 | 0 | 0 | 113.4 | S17 N19 T20 A21 I25 R26 | S17-T23 PolarHBondContact O-OG1 3.26Å; N19-T23 HydrophobicContact CB-CG2 4.44Å; N19-T23 WeakPolarHBondContact O-CB 3.35Å; N19-T23 WeakPolarHBondContact O-CG2 3.44Å; N19-T23 PolarHBondContact O-OG1 3.04Å; T20-T23 PolarHBondContact O-N 3.02Å; T20-T23 PolarHBondContact O-OG1 2.9Å; A21-T23 VanDerWaalsContact C-N 3.33Å; A21-T23 PolarHBondContact O-N 3Å; T23-I25 VanDerWaalsContact C-N 3.32Å; T23-R26 WeakPolarHBondContact O-CG 3.33Å |
| 24 | L | 36 | Very low | 39.4 | Very low | 15 Ų | 15 | 74.1 Ų | 74.1 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -0.5 | 178.8 | -85.8 | 139.9 | 0 | 0 | 0 | 113.4 | F13 L14 A21 S22 L123 A131 | F13-L24 HydrophobicContact CB-CD2 4.22Å; F13-L24 VanDerWaalsContact CB-O 3.27Å; F13-L24 WeakPolarHBondContact CB-O 3.5Å; F13-L24 WeakPolarHBondContact CD1-O 3.38Å; F13-L24 WeakPolarHBondContact CD2-O 3.49Å; F13-L24 WeakPolarHBondContact CE1-O 3.47Å; F13-L24 WeakPolarHBondContact CG-O 3.48Å; F13-L24 WeakPolarHBondContact O-CD2 3.37Å; L14-L24 HydrophobicContact CD2-CD2 4.25Å; A21-L24 WeakPolarHBondContact O-CB 3.25Å; A21-L24 PolarHBondContact O-N 2.85Å; S22-L24 PolarHBondContact O-N 3.45Å; L24-L123 HydrophobicContact CD1-CD2 4.38Å; L24-A131 HydrophobicContact CB-CB 4.23Å; L24-A131 HydrophobicContact CD1-CB 4.16Å |
| 25 | I | 42.5 | Very low | 40.5 | Very low | 10 Ų | 10 | 73.1 Ų | 73.1 | 5% | 0.051 | 39% | 0.394 | C | S | . | . | trans | -143.5 | 90.2 | -180 | -54.8 | 177.7 | 0 | 0 | 0 | 107.9 | S22 T23 M134 I138 I158 L268 | S22-I25 CarbonylContact O-C 3.52Å; S22-I25 PolarHBondContact O-N 3.49Å; T23-I25 VanDerWaalsContact C-N 3.32Å; I25-M134 HydrophobicContact CD1-CB 3.43Å; I25-M134 VanDerWaalsContact CD1-CB 3.43Å; I25-M134 HydrophobicContact CD1-CG 4.46Å; I25-I138 HydrophobicContact CD1-CD1 4.04Å; I25-I138 HydrophobicContact CG2-CD1 3.36Å; I25-I158 HydrophobicContact CG2-CD1 4.4Å; I25-L268 WeakPolarHBondContact O-CD1 3.39Å | ||
| 26 | R | 42.7 | Very low | 42.5 | Very low | 88 Ų | 88 | 73.4 Ų | 73.4 | 33% | 0.332 | 38% | 0.38 | S | S | . | . | trans | -126 | 85.7 | -175.4 | -54 | -159.3 | 163.2 | -167.6 | -6.3 | 111.5 | F13 T23 L268 Q269 | F13-R26 HydrophobicContact CE1-CB 3.97Å; F13-R26 HydrophobicContact CE1-CG 4.28Å; F13-R26 HydrophobicContact CZ-CB 4.46Å; T23-R26 WeakPolarHBondContact O-CG 3.33Å; R26-L268 HydrophobicContact CB-CB 3.95Å; R26-L268 HydrophobicContact CG-CB 3.63Å; R26-L268 HydrophobicContact CG-CD1 4.31Å; R26-L268 HydrophobicContact CG-CD2 4.02Å; R26-L268 HydrophobicContact CG-CG 4.19Å; R26-Q269 PolarHBondContact NH1-O 3.29Å | ||
| 27 | P | 40.5 | Very low | 44.8 | Very low | 34 Ų | 34 | 63.9 Ų | 63.9 | 22% | 0.221 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 149.8 | 166.4 | 28.4 | -21.8 | 0 | 0 | 0 | 111.2 | L29 I158 | P27-L29 PolarHBondContact O-N 2.79Å; P27-I158 HydrophobicContact CG-CB 3.48Å; P27-I158 VanDerWaalsContact CG-CB 3.48Å; P27-I158 HydrophobicContact CG-CD1 3.59Å; P27-I158 HydrophobicContact CG-CG1 3.41Å; P27-I158 VanDerWaalsContact CG-CG1 3.41Å |
| 28 | H | 38.3 | Very low | 47.2 | Very low | 93 Ų | 93 | 63.3 Ų | 63.3 | 43% | 0.431 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 122.7 | -175.5 | -83.7 | -62.4 | 0 | 0 | 0 | 112.9 | ||
| 29 | L | 43.4 | Very low | 49.8 | Very low | 24 Ų | 24 | 58.1 Ų | 58.1 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 126 | 165 | -82.8 | 153.6 | 0 | 0 | 0 | 110.3 | P27 H33 P157 F159 L267 | P27-L29 PolarHBondContact O-N 2.79Å; L29-H33 HydrophobicContact CD2-CB 4.37Å; L29-P157 HydrophobicContact CD2-CB 4.03Å; L29-F159 HydrophobicContact CD1-CD1 3.84Å; L29-F159 HydrophobicContact CD1-CE1 3.37Å; L29-F159 HydrophobicContact CD1-CZ 3.99Å; L29-F159 HydrophobicContact CD2-CE1 3.58Å; L29-F159 HydrophobicContact CD2-CE2 4.22Å; L29-F159 HydrophobicContact CD2-CZ 3.31Å; L29-F159 HydrophobicContact CG-CE1 4.11Å; L29-F159 HydrophobicContact CG-CZ 4.26Å; L29-L267 HydrophobicContact CB-CD1 4.42Å; L29-L267 HydrophobicContact CD1-CD1 3.79Å; L29-L267 HydrophobicContact CD1-CG 4.03Å |
| 30 | T | 44.6 | Very low | 52.4 | Low | 83 Ų | 83 | 52.5 Ų | 52.5 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | trans | -104.1 | 149.4 | 164.3 | 53 | 0 | 0 | 0 | 0 | 109.6 | K32 H33 | T30-K32 PolarHBondContact O-N 2.96Å; T30-H33 PolarHBondContact O-N 2.73Å; T30-H33 VanDerWaalsContact O-N 3.11Å; T30-H33 PolarHBondContact O-ND1 3.37Å; T30-H33 PolarHBondContact OG1-CE1 3.49Å; T30-H33 VanDerWaalsContact OG1-CE1 3.24Å; T30-H33 PolarHBondContact OG1-ND1 3.43Å | ||
| 31 | D | 44.8 | Very low | 54.9 | Low | 118 Ų | 118 | 50.1 Ų | 50.1 | 63% | 0.631 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -53.4 | -19.5 | 178.2 | -76.3 | -55.1 | 0 | 0 | 0 | 113.7 | H33 R34 | D31-H33 PolarHBondContact O-N 2.89Å; D31-H33 VanDerWaalsContact O-N 3.15Å; D31-R34 WeakPolarHBondContact O-CB 3.46Å; D31-R34 PolarHBondContact O-N 3.28Å; D31-R34 VanDerWaalsContact O-N 3.17Å; D31-R34 IonicContact OD1-CZ 3.39Å; D31-R34 IonicContact OD1-NE 3.7Å; D31-R34 IonicContact OD1-NH1 2.84Å; D31-R34 PolarHBondContact OD1-NH1 3.08Å |
| 32 | K | 50.5 | Low | 57.5 | Low | 173 Ų | 173 | 50 Ų | 50 | 75% | 0.752 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -54.7 | -27.7 | 174 | -104.2 | -175.7 | 174.3 | -177.3 | 0 | 114.5 | T30 I36 | T30-K32 PolarHBondContact O-N 2.96Å; K32-I36 WeakPolarHBondContact O-CD1 3.12Å |
| 33 | H | 54.8 | Low | 59.9 | Low | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.065 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -80 | -16.7 | -177.5 | -57.1 | 98.1 | 0 | 0 | 0 | 113.5 | L29 T30 D31 G35 I36 I37 Q113 | L29-H33 HydrophobicContact CD2-CB 4.37Å; T30-H33 PolarHBondContact O-N 2.73Å; T30-H33 VanDerWaalsContact O-N 3.11Å; T30-H33 PolarHBondContact O-ND1 3.37Å; T30-H33 PolarHBondContact OG1-CE1 3.49Å; T30-H33 VanDerWaalsContact OG1-CE1 3.24Å; T30-H33 PolarHBondContact OG1-ND1 3.43Å; D31-H33 PolarHBondContact O-N 2.89Å; D31-H33 VanDerWaalsContact O-N 3.15Å; H33-G35 PolarHBondContact O-N 3.09Å; H33-G35 VanDerWaalsContact O-N 3.1Å; H33-I36 PolarHBondContact O-N 3.32Å; H33-I37 HydrophobicContact CB-CD1 3.99Å; H33-I37 HydrophobicContact CB-CG1 4.48Å; H33-Q113 PolarHBondContact CD2-OE1 3.32Å; H33-Q113 VanDerWaalsContact CD2-OE1 3.24Å |
| 34 | R | 52.5 | Low | 62.5 | Low | 133 Ų | 133 | 49 Ų | 49 | 50% | 0.502 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -66.4 | -14.5 | -170.7 | -78.6 | -178.8 | 168.6 | 167.6 | -7 | 114.9 | D31 F262 | D31-R34 WeakPolarHBondContact O-CB 3.46Å; D31-R34 PolarHBondContact O-N 3.28Å; D31-R34 VanDerWaalsContact O-N 3.17Å; D31-R34 IonicContact OD1-CZ 3.39Å; D31-R34 IonicContact OD1-NE 3.7Å; D31-R34 IonicContact OD1-NH1 2.84Å; D31-R34 PolarHBondContact OD1-NH1 3.08Å; R34-F262 HydrophobicContact CG-CE1 4.47Å; R34-F262 HydrophobicContact CG-CE2 4.26Å; R34-F262 HydrophobicContact CG-CZ 4.11Å |
| 35 | G | 57.3 | Low | 64.8 | Low | 75 Ų | 75 | 48.5 Ų | 48.5 | 77% | 0.773 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -118.9 | 3.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | H33 | H33-G35 PolarHBondContact O-N 3.09Å; H33-G35 VanDerWaalsContact O-N 3.1Å |
| 36 | I | 72 | Confident | 66.5 | Low | 70 Ų | 70 | 48.2 Ų | 48.2 | 36% | 0.359 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -16.6 | -170.1 | -38.9 | 176.2 | 0 | 0 | 0 | 111.8 | K32 H33 E38 G112 Q113 | K32-I36 WeakPolarHBondContact O-CD1 3.12Å; H33-I36 PolarHBondContact O-N 3.32Å; I36-E38 PolarHBondContact O-N 3.37Å; I36-G112 CarbonylContact O-C 3.58Å; I36-Q113 HydrophobicContact CB-CB 4.1Å; I36-Q113 HydrophobicContact CB-CG 3.93Å; I36-Q113 HydrophobicContact CG2-CB 3.98Å; I36-Q113 HydrophobicContact CG2-CG 3.59Å; I36-Q113 PolarHBondContact O-N 3.36Å |
| 37 | I | 78.4 | Confident | 68 | Low | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 114 | -179.1 | -62.8 | 166.5 | 0 | 0 | 0 | 110.2 | H33 S39 Q113 A115 P157 F159 F252 I257 | H33-I37 HydrophobicContact CB-CD1 3.99Å; H33-I37 HydrophobicContact CB-CG1 4.48Å; I37-S39 WeakPolarHBondContact CG2-O 3.4Å; I37-Q113 VanDerWaalsContact CA-O 3.29Å; I37-Q113 WeakPolarHBondContact CA-O 3.3Å; I37-Q113 HydrophobicContact CG1-CB 4.14Å; I37-A115 HydrophobicContact CD1-CB 4.12Å; I37-A115 HydrophobicContact CG1-CB 4.5Å; I37-A115 HydrophobicContact CG2-CB 3.8Å; I37-P157 HydrophobicContact CD1-CB 4.43Å; I37-P157 HydrophobicContact CD1-CG 4.09Å; I37-F159 HydrophobicContact CD1-CE2 3.74Å; I37-F159 HydrophobicContact CD1-CZ 3.82Å; I37-F252 HydrophobicContact CG2-CE1 3.96Å; I37-F252 HydrophobicContact CG2-CZ 4.12Å; I37-I257 HydrophobicContact CB-CD1 4.31Å; I37-I257 HydrophobicContact CG2-CD1 4.39Å |
| 38 | E | 82.8 | Confident | 69.8 | Low | 77 Ų | 77 | 46.8 Ų | 46.8 | 36% | 0.36 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -11.7 | 178.3 | -65.8 | 179.5 | 166.4 | 0 | 0 | 112.2 | I36 C56 L57 Q113 | I36-E38 PolarHBondContact O-N 3.37Å; E38-C56 CarbonylContact O-C 3.58Å; E38-C56 VanDerWaalsContact O-CA 3.3Å; E38-C56 WeakPolarHBondContact O-CA 3.49Å; E38-L57 PolarHBondContact O-N 3.11Å; E38-Q113 PolarHBondContact N-O 3.37Å; E38-Q113 VanDerWaalsContact N-O 3.15Å |
| 39 | S | 85.9 | Confident | 72.1 | Confident | 10 Ų | 10 | 44 Ų | 44 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 153.5 | -178.2 | 60.4 | 0 | 0 | 0 | 0 | 112 | I37 L55 A115 | I37-S39 WeakPolarHBondContact CG2-O 3.4Å; S39-L55 CarbonylContact C-O 3.53Å; S39-L55 WeakPolarHBondContact CA-O 3.29Å; S39-A115 PolarHBondContact O-N 3.24Å |
| 40 | C | 87.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152.6 | 172.5 | 75.2 | 0 | 0 | 0 | 0 | 112.6 | S54 L55 F114 A115 V117 F252 L253 | C40-S54 WeakPolarHBondContact O-CA 3.19Å; C40-L55 PolarHBondContact N-O 3.29Å; C40-L55 PolarHBondContact O-N 3.01Å; C40-F114 VanDerWaalsContact C-CE2 3.46Å; C40-A115 CarbonylContact C-O 3.58Å; C40-A115 WeakPolarHBondContact CA-O 3.22Å; C40-A115 HydrophobicContact CB-CB 4.35Å; C40-A115 WeakPolarHBondContact CB-O 3.19Å; C40-V117 HydrophobicContact CB-CG2 4Å; C40-F252 HydrophobicContact CB-CD1 3.69Å; C40-F252 HydrophobicContact CB-CE1 3.79Å; C40-L253 HydrophobicContact CB-CD2 4.48Å |
| 41 | C | 88.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.3 | 161.5 | -168.8 | 0 | 0 | 0 | 0 | 108.7 | A53 I103 F114 A115 L116 V117 | C41-A53 CarbonylContact C-O 3.5Å; C41-A53 VanDerWaalsContact CA-O 3.28Å; C41-A53 WeakPolarHBondContact CA-O 3.48Å; C41-A53 PolarHBondContact SG-O 2.71Å; C41-I103 HydrophobicContact CB-CD1 3.7Å; C41-I103 HydrophobicContact CB-CG1 3.72Å; C41-F114 HydrophobicContact CB-CE2 3.56Å; C41-F114 HydrophobicContact CB-CZ 3.34Å; C41-A115 PolarHBondContact N-O 3.06Å; C41-L116 HydrophobicContact CB-CD1 4.38Å; C41-L116 CarbonylContact O-C 3.48Å; C41-L116 WeakPolarHBondContact O-CA 3.47Å; C41-L116 WeakPolarHBondContact O-CD1 3.31Å; C41-V117 PolarHBondContact O-N 3.43Å |
| 42 | T | 91.2 | Very high | 78.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 133.1 | 174.8 | -51.5 | 0 | 0 | 0 | 0 | 109.4 | Y52 A53 V117 V119 V245 D248 G249 | T42-Y52 CarbonylContact O-C 3.59Å; T42-Y52 WeakPolarHBondContact O-CA 3.29Å; T42-Y52 WeakPolarHBondContact O-CB 3.47Å; T42-A53 PolarHBondContact N-O 3.13Å; T42-A53 PolarHBondContact O-N 3.1Å; T42-V117 CarbonylContact C-O 3.55Å; T42-V117 WeakPolarHBondContact CA-O 3.48Å; T42-V117 HydrophobicContact CG2-CB 3.98Å; T42-V117 HydrophobicContact CG2-CG1 3.95Å; T42-V117 WeakPolarHBondContact OG1-CB 3.5Å; T42-V119 HydrophobicContact CG2-CG2 3.81Å; T42-V245 WeakPolarHBondContact CB-O 3.33Å; T42-V245 HydrophobicContact CG2-CB 4.01Å; T42-V245 HydrophobicContact CG2-CG1 4.32Å; T42-V245 VanDerWaalsContact CG2-O 3.26Å; T42-V245 WeakPolarHBondContact CG2-O 3.36Å; T42-D248 HydrophobicContact CG2-CB 3.76Å; T42-G249 WeakPolarHBondContact OG1-CA 3.27Å; T42-G249 PolarHBondContact OG1-N 2.73Å |
| 43 | I | 90.2 | Very high | 80.6 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 143.8 | -178.1 | 61.1 | 169.7 | 0 | 0 | 0 | 111.7 | S51 L99 L116 V117 V119 M134 L137 | I43-S51 WeakPolarHBondContact CA-O 3.49Å; I43-L99 HydrophobicContact CG2-CD2 4.12Å; I43-L116 HydrophobicContact CD1-CD1 3.98Å; I43-L116 HydrophobicContact CD1-CD2 3.97Å; I43-L116 HydrophobicContact CD1-CG 4.24Å; I43-L116 HydrophobicContact CG1-CD1 4.15Å; I43-L116 HydrophobicContact CG1-CG 4.38Å; I43-L116 HydrophobicContact CG2-CD1 4.22Å; I43-V117 PolarHBondContact N-O 3.23Å; I43-V119 PolarHBondContact O-N 2.71Å; I43-M134 HydrophobicContact CD1-CE 3.26Å; I43-M134 HydrophobicContact CD1-SD 3.9Å; I43-M134 HydrophobicContact CG1-CE 3.79Å; I43-L137 HydrophobicContact CD1-CD2 3.76Å |
| 44 | E | 88.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.019 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.6 | 168.5 | -171.3 | 177.2 | -174.2 | 0 | 0 | 109 | L50 S51 V119 Y237 S241 N244 V245 | E44-L50 WeakPolarHBondContact O-CA 3.26Å; E44-S51 PolarHBondContact N-O 3.22Å; E44-S51 PolarHBondContact O-N 3.25Å; E44-V119 HydrophobicContact CB-CB 3.89Å; E44-V119 HydrophobicContact CB-CG2 3.9Å; E44-V119 HydrophobicContact CG-CB 4.03Å; E44-V119 HydrophobicContact CG-CG1 4.29Å; E44-Y237 PolarHBondContact OE1-OH 2.94Å; E44-S241 VanDerWaalsContact CD-OG 3.27Å; E44-S241 WeakPolarHBondContact OE2-CA 3.4Å; E44-S241 VanDerWaalsContact OE2-CB 3.31Å; E44-S241 WeakPolarHBondContact OE2-CB 3.36Å; E44-S241 PolarHBondContact OE2-OG 3.08Å; E44-N244 WeakPolarHBondContact OE2-CB 3.43Å; E44-N244 PolarHBondContact OE2-ND2 2.99Å; E44-V245 HydrophobicContact CB-CG1 3.58Å |
| 45 | V | 83.4 | Confident | 84.1 | Confident | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.7 | 177.3 | 168.7 | 0 | 0 | 0 | 0 | 109.2 | L50 L75 L77 R130 F133 M134 | V45-L50 HydrophobicContact CG2-CB 4.41Å; V45-L50 HydrophobicContact CG2-CD1 3.85Å; V45-L50 HydrophobicContact CG2-CG 4.03Å; V45-L75 HydrophobicContact CG1-CD1 3.75Å; V45-L77 HydrophobicContact CG1-CD1 3.85Å; V45-R130 HydrophobicContact CG1-CG 4.42Å; V45-R130 WeakPolarHBondContact O-CD 3.47Å; V45-F133 HydrophobicContact CB-CD1 4.44Å; V45-F133 HydrophobicContact CG1-CD1 3.79Å; V45-F133 HydrophobicContact CG1-CE1 4.17Å; V45-F133 HydrophobicContact CG2-CD1 3.93Å; V45-F133 HydrophobicContact CG2-CE1 3.88Å; V45-M134 HydrophobicContact CB-CG 4.21Å; V45-M134 HydrophobicContact CB-SD 3.88Å; V45-M134 HydrophobicContact CG2-CG 4.18Å; V45-M134 HydrophobicContact CG2-SD 3.3Å; V45-M134 WeakPolarHBondContact CG2-SD 3.3Å |
| 46 | T | 78.3 | Confident | 85.6 | Confident | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.018 | 9% | 0.091 | C | C | . | . | trans | -99.6 | -174.6 | 170.5 | 76.7 | 0 | 0 | 0 | 0 | 109.3 | D48 R49 L77 Y237 | T46-D48 PolarHBondContact O-N 2.93Å; T46-D48 PolarHBondContact OG1-N 2.8Å; T46-D48 PolarHBondContact OG1-OD1 3.36Å; T46-R49 PolarHBondContact N-O 2.8Å; T46-R49 WeakPolarHBondContact OG1-CA 3.5Å; T46-R49 PolarHBondContact OG1-N 2.98Å; T46-R49 PolarHBondContact OG1-O 3.28Å; T46-L77 VanDerWaalsContact O-CD1 3.27Å; T46-L77 WeakPolarHBondContact O-CD1 3.1Å; T46-Y237 HydrophobicContact CG2-CD1 4.09Å; T46-Y237 HydrophobicContact CG2-CE1 3.57Å | ||
| 47 | A | 73.9 | Confident | 86.3 | Confident | 66 Ų | 66 | 14.5 Ų | 14.5 | 55% | 0.545 | 8% | 0.084 | S | C | . | . | S | Bend | trans | -67.5 | -31.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L77 | A47-L77 WeakPolarHBondContact O-CB 3.33Å; A47-L77 PolarHBondContact O-N 3.36Å |
| 48 | D | 79.9 | Confident | 86.7 | Confident | 27 Ų | 27 | 15.3 Ų | 15.3 | 14% | 0.144 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -121.5 | -7.8 | -166.2 | 62.6 | -33 | 0 | 0 | 0 | 113.4 | T46 P74 L75 N223 N238 | T46-D48 PolarHBondContact O-N 2.93Å; T46-D48 PolarHBondContact OG1-N 2.8Å; T46-D48 PolarHBondContact OG1-OD1 3.36Å; D48-P74 CarbonylContact O-C 3.52Å; D48-L75 CarbonylContact C-O 3.35Å; D48-L75 VanDerWaalsContact CA-O 3.29Å; D48-L75 WeakPolarHBondContact CA-O 3.49Å; D48-L75 PolarHBondContact O-N 3.02Å; D48-N223 PolarHBondContact OD2-ND2 3.11Å; D48-N238 PolarHBondContact OD1-OD1 3.31Å; D48-N238 PolarHBondContact OD2-ND2 3.03Å |
| 49 | R | 85.5 | Confident | 86.7 | Confident | 35 Ų | 35 | 16.1 Ų | 16.1 | 13% | 0.132 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 150.5 | -178.2 | -56.3 | -164.1 | 78.9 | 98.8 | 4 | 114.5 | T46 S72 L73 L75 I217 | T46-R49 PolarHBondContact N-O 2.8Å; T46-R49 WeakPolarHBondContact OG1-CA 3.5Å; T46-R49 PolarHBondContact OG1-N 2.98Å; T46-R49 PolarHBondContact OG1-O 3.28Å; R49-S72 PolarHBondContact NE-OG 2.85Å; R49-S72 PolarHBondContact NH2-O 3.35Å; R49-L73 CarbonylContact C-O 3.6Å; R49-L73 WeakPolarHBondContact CA-O 3.17Å; R49-L75 VanDerWaalsContact O-CD1 3.22Å; R49-L75 WeakPolarHBondContact O-CD1 3.26Å; R49-I217 PolarHBondContact NH1-O 3.41Å |
| 50 | L | 88.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 110.6 | 162.9 | -174.7 | 149.6 | 0 | 0 | 0 | 108 | E44 V45 Y52 S72 L73 L75 I95 L99 F133 L137 | E44-L50 WeakPolarHBondContact O-CA 3.26Å; V45-L50 HydrophobicContact CG2-CB 4.41Å; V45-L50 HydrophobicContact CG2-CD1 3.85Å; V45-L50 HydrophobicContact CG2-CG 4.03Å; L50-Y52 HydrophobicContact CD2-CD1 3.73Å; L50-Y52 HydrophobicContact CD2-CG 4.35Å; L50-S72 CarbonylContact O-C 3.56Å; L50-S72 WeakPolarHBondContact O-CA 3.33Å; L50-L73 PolarHBondContact N-O 2.9Å; L50-L73 PolarHBondContact O-N 2.95Å; L50-L75 HydrophobicContact CB-CD1 3.99Å; L50-L75 HydrophobicContact CB-CD2 4.3Å; L50-L75 HydrophobicContact CB-CG 4.11Å; L50-I95 HydrophobicContact CD1-CG2 3.85Å; L50-L99 HydrophobicContact CD1-CD1 4Å; L50-L99 HydrophobicContact CD2-CD1 3.94Å; L50-L99 HydrophobicContact CD2-CD2 4.45Å; L50-L99 HydrophobicContact CD2-CG 4.43Å; L50-F133 HydrophobicContact CD1-CE1 4.32Å; L50-L137 HydrophobicContact CD1-CD2 3.59Å |
| 51 | S | 90.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 143.5 | 173.1 | -59.8 | 0 | 0 | 0 | 0 | 109.6 | I43 E44 N71 S72 S241 | I43-S51 WeakPolarHBondContact CA-O 3.49Å; E44-S51 PolarHBondContact N-O 3.22Å; E44-S51 PolarHBondContact O-N 3.25Å; S51-N71 WeakPolarHBondContact CA-O 3.32Å; S51-S72 PolarHBondContact OG-OG 3.26Å; S51-S72 VanDerWaalsContact OG-OG 3.09Å; S51-S241 WeakPolarHBondContact CB-OG 3.41Å; S51-S241 PolarHBondContact OG-OG 3.23Å; S51-S241 VanDerWaalsContact OG-OG 3.08Å |
| 52 | Y | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 152 | 176.2 | 67 | -80.4 | 0 | 0 | 0 | 113.8 | T42 L50 W70 N71 L73 L99 D102 | T42-Y52 CarbonylContact O-C 3.59Å; T42-Y52 WeakPolarHBondContact O-CA 3.29Å; T42-Y52 WeakPolarHBondContact O-CB 3.47Å; L50-Y52 HydrophobicContact CD2-CD1 3.73Å; L50-Y52 HydrophobicContact CD2-CG 4.35Å; Y52-W70 WeakPolarHBondContact O-CA 3.31Å; Y52-N71 HydrophobicContact CD1-CB 4.4Å; Y52-N71 HydrophobicContact CE1-CB 3.67Å; Y52-N71 HydrophobicContact CE2-CB 4.21Å; Y52-N71 PolarHBondContact N-O 3.04Å; Y52-N71 PolarHBondContact O-N 3.46Å; Y52-N71 WeakPolarHBondContact OH-CB 3.27Å; Y52-L73 HydrophobicContact CE1-CD1 4.08Å; Y52-L73 HydrophobicContact CE1-CG 3.95Å; Y52-L99 HydrophobicContact CD1-CD2 4.28Å; Y52-L99 HydrophobicContact CD2-CD2 3.99Å; Y52-L99 HydrophobicContact CG-CD2 3.86Å; Y52-D102 HydrophobicContact CE2-CB 4.01Å; Y52-D102 WeakPolarHBondContact CE2-OD2 3.42Å; Y52-D102 VanDerWaalsContact CZ-OD2 3.31Å; Y52-D102 PolarHBondContact OH-OD2 2.95Å |
| 53 | A | 92.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | C41 T42 L55 L67 S69 V245 | C41-A53 CarbonylContact C-O 3.5Å; C41-A53 VanDerWaalsContact CA-O 3.28Å; C41-A53 WeakPolarHBondContact CA-O 3.48Å; C41-A53 PolarHBondContact SG-O 2.71Å; T42-A53 PolarHBondContact N-O 3.13Å; T42-A53 PolarHBondContact O-N 3.1Å; A53-L55 HydrophobicContact CB-CD1 3.85Å; A53-L67 HydrophobicContact CB-CD1 4.3Å; A53-S69 CarbonylContact C-O 3.52Å; A53-S69 VanDerWaalsContact CA-O 3.3Å; A53-S69 WeakPolarHBondContact CA-O 3.43Å; A53-V245 HydrophobicContact CB-CB 4.31Å; A53-V245 HydrophobicContact CB-CG2 4.03Å |
| 54 | S | 89.7 | Confident | 85.9 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.9 | 174.2 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | C40 S68 S69 | C40-S54 WeakPolarHBondContact O-CA 3.19Å; S54-S68 PolarHBondContact O-N 2.79Å; S54-S69 PolarHBondContact N-O 2.83Å; S54-S69 PolarHBondContact O-N 3.2Å |
| 55 | L | 90.7 | Very high | 86 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 148.8 | -177.8 | -60.1 | 95 | 0 | 0 | 0 | 110.5 | S39 C40 A53 V65 I66 L67 L199 L246 L253 | S39-L55 CarbonylContact C-O 3.53Å; S39-L55 WeakPolarHBondContact CA-O 3.29Å; C40-L55 PolarHBondContact N-O 3.29Å; C40-L55 PolarHBondContact O-N 3.01Å; A53-L55 HydrophobicContact CB-CD1 3.85Å; L55-V65 HydrophobicContact CB-CG1 3.93Å; L55-V65 HydrophobicContact CD2-CG1 3.86Å; L55-I66 VanDerWaalsContact CA-O 3.25Å; L55-I66 WeakPolarHBondContact CA-O 3.48Å; L55-L67 HydrophobicContact CD1-CD1 4.3Å; L55-L67 HydrophobicContact CD2-CD1 4.34Å; L55-L67 HydrophobicContact CG-CD1 3.88Å; L55-L199 HydrophobicContact CD2-CD1 3.6Å; L55-L246 HydrophobicContact CD2-CD1 4.24Å; L55-L253 HydrophobicContact CB-CD1 3.51Å |
| 56 | C | 88.3 | Confident | 86.4 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 157.7 | 171.6 | 58.1 | 0 | 0 | 0 | 0 | 111.7 | E38 V65 I66 | E38-C56 CarbonylContact O-C 3.58Å; E38-C56 VanDerWaalsContact O-CA 3.3Å; E38-C56 WeakPolarHBondContact O-CA 3.49Å; C56-V65 CarbonylContact O-C 3.6Å; C56-V65 WeakPolarHBondContact O-CA 3.45Å; C56-V65 VanDerWaalsContact O-CG1 3.27Å; C56-V65 WeakPolarHBondContact O-CG1 3.34Å; C56-I66 PolarHBondContact N-O 3.39Å; C56-I66 PolarHBondContact O-N 3.5Å |
| 57 | L | 87.2 | Confident | 87 | Confident | 43 Ų | 43 | 42.2 Ų | 42.2 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 139.5 | 166.4 | -60.8 | -177.9 | 0 | 0 | 0 | 108.9 | E38 P59 V65 L253 I257 M258 | E38-L57 PolarHBondContact O-N 3.11Å; L57-P59 WeakPolarHBondContact O-CD 3.47Å; L57-V65 HydrophobicContact CD2-CG2 4.37Å; L57-L253 HydrophobicContact CD2-CB 4.22Å; L57-L253 HydrophobicContact CD2-CD2 4.29Å; L57-L253 HydrophobicContact CG-CD2 4.5Å; L57-I257 HydrophobicContact CD1-CG2 4.14Å; L57-M258 HydrophobicContact CD2-CG 3.52Å; L57-M258 HydrophobicContact CD2-SD 3.73Å |
| 58 | D | 87.2 | Confident | 87.5 | Confident | 25 Ų | 25 | 40 Ų | 40 | 13% | 0.134 | 21% | 0.211 | C | C | . | . | trans | -73.8 | 118.8 | 176 | -175.2 | -24.3 | 0 | 0 | 0 | 109.4 | D60 N61 S64 I66 | D58-D60 PolarHBondContact O-N 3.15Å; D58-D60 PolarHBondContact OD1-N 2.93Å; D58-N61 HydrophobicContact CB-CB 4.46Å; D58-N61 WeakPolarHBondContact CB-O 3.41Å; D58-N61 CarbonylContact O-C 3.58Å; D58-N61 PolarHBondContact O-N 2.97Å; D58-N61 PolarHBondContact OD1-N 3.17Å; D58-N61 VanDerWaalsContact OD1-N 3.13Å; D58-S64 WeakPolarHBondContact CB-OG 3.45Å; D58-S64 VanDerWaalsContact CG-OG 3.23Å; D58-S64 PolarHBondContact N-O 3.21Å; D58-S64 VanDerWaalsContact N-O 3.14Å; D58-S64 PolarHBondContact OD2-OG 3.39Å; D58-I66 HydrophobicContact CB-CD1 3.93Å; D58-I66 HydrophobicContact CB-CG1 3.93Å | ||
| 59 | P | 82.7 | Confident | 87.9 | Confident | 93 Ų | 93 | 39.6 Ų | 39.6 | 60% | 0.604 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -67.3 | -28.2 | -177.7 | 27.1 | -33.3 | 0 | 0 | 0 | 112.3 | L57 | L57-P59 WeakPolarHBondContact O-CD 3.47Š|
| 60 | D | 85.3 | Confident | 88.1 | Confident | 158 Ų | 158 | 38 Ų | 38 | 85% | 0.845 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -89.3 | -24.1 | -177.7 | -62.3 | -43.8 | 0 | 0 | 0 | 111.7 | D58 | D58-D60 PolarHBondContact O-N 3.15Å; D58-D60 PolarHBondContact OD1-N 2.93Å |
| 61 | N | 86.2 | Confident | 88.2 | Confident | 78 Ų | 78 | 39.8 Ų | 39.8 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | trans | -134.3 | 100.7 | 178.3 | 175.8 | 8.2 | 0 | 0 | 0 | 112.3 | D58 N63 S64 | D58-N61 HydrophobicContact CB-CB 4.46Å; D58-N61 WeakPolarHBondContact CB-O 3.41Å; D58-N61 CarbonylContact O-C 3.58Å; D58-N61 PolarHBondContact O-N 2.97Å; D58-N61 PolarHBondContact OD1-N 3.17Å; D58-N61 VanDerWaalsContact OD1-N 3.13Å; N61-N63 PolarHBondContact O-N 2.86Å; N61-N63 PolarHBondContact OD1-N 3.39Å; N61-S64 WeakPolarHBondContact CB-OG 3.34Å; N61-S64 PolarHBondContact ND2-OG 3.33Å; N61-S64 VanDerWaalsContact ND2-OG 3.1Å; N61-S64 PolarHBondContact O-N 3.1Å; N61-S64 PolarHBondContact O-OG 3.19Å | ||
| 62 | K | 78.4 | Confident | 88.1 | Confident | 188 Ų | 188 | 40 Ų | 40 | 82% | 0.817 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -7.3 | 179.7 | -62 | -173.5 | 178.8 | -176.9 | 0 | 115.5 | M258 | K62-M258 WeakPolarHBondContact O-CE 3.29Š|
| 63 | N | 85.5 | Confident | 87.8 | Confident | 107 Ų | 107 | 41.4 Ų | 41.4 | 57% | 0.572 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 6.2 | 177.8 | -78.8 | -38 | 0 | 0 | 0 | 114.2 | N61 K198 M258 | N61-N63 PolarHBondContact O-N 2.86Å; N61-N63 PolarHBondContact OD1-N 3.39Å; N63-K198 VanDerWaalsContact O-CD 3.26Å; N63-K198 WeakPolarHBondContact O-CD 3.3Å; N63-K198 WeakPolarHBondContact O-CG 3.38Å; N63-M258 WeakPolarHBondContact O-CE 3.49Å |
| 64 | S | 90.3 | Very high | 87.4 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | trans | -121 | 163 | 175.5 | 44.6 | 0 | 0 | 0 | 0 | 113.2 | D58 N61 K198 | D58-S64 WeakPolarHBondContact CB-OG 3.45Å; D58-S64 VanDerWaalsContact CG-OG 3.23Å; D58-S64 PolarHBondContact N-O 3.21Å; D58-S64 VanDerWaalsContact N-O 3.14Å; D58-S64 PolarHBondContact OD2-OG 3.39Å; N61-S64 WeakPolarHBondContact CB-OG 3.34Å; N61-S64 PolarHBondContact ND2-OG 3.33Å; N61-S64 VanDerWaalsContact ND2-OG 3.1Å; N61-S64 PolarHBondContact O-N 3.1Å; N61-S64 PolarHBondContact O-OG 3.19Å; S64-K198 CarbonylContact C-O 3.52Å; S64-K198 VanDerWaalsContact CA-O 3.32Å; S64-K198 WeakPolarHBondContact CA-O 3.43Å; S64-K198 WeakPolarHBondContact CB-O 3.19Å | ||
| 65 | V | 91.2 | Very high | 87 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.1 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | L55 C56 L57 K198 L199 S200 L253 V254 M258 | L55-V65 HydrophobicContact CB-CG1 3.93Å; L55-V65 HydrophobicContact CD2-CG1 3.86Å; C56-V65 CarbonylContact O-C 3.6Å; C56-V65 WeakPolarHBondContact O-CA 3.45Å; C56-V65 VanDerWaalsContact O-CG1 3.27Å; C56-V65 WeakPolarHBondContact O-CG1 3.34Å; L57-V65 HydrophobicContact CD2-CG2 4.37Å; V65-K198 PolarHBondContact N-O 3.16Å; V65-L199 CarbonylContact O-C 3.49Å; V65-L199 WeakPolarHBondContact O-CA 3.29Å; V65-S200 PolarHBondContact O-N 2.92Å; V65-S200 PolarHBondContact O-OG 2.84Å; V65-L253 HydrophobicContact CG1-CB 4.16Å; V65-L253 HydrophobicContact CG1-CD1 3.44Å; V65-L253 VanDerWaalsContact CG1-CD1 3.44Å; V65-L253 HydrophobicContact CG1-CG 4.44Å; V65-L253 HydrophobicContact CG2-CB 4.13Å; V65-V254 HydrophobicContact CG2-CG2 3.51Å; V65-M258 HydrophobicContact CG2-SD 3.58Å; V65-M258 VanDerWaalsContact CG2-SD 3.58Å |
| 66 | I | 90.8 | Very high | 86.3 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.4 | 180 | -61.5 | 167.8 | 0 | 0 | 0 | 109.1 | L55 C56 D58 S68 S200 A202 | L55-I66 VanDerWaalsContact CA-O 3.25Å; L55-I66 WeakPolarHBondContact CA-O 3.48Å; C56-I66 PolarHBondContact N-O 3.39Å; C56-I66 PolarHBondContact O-N 3.5Å; D58-I66 HydrophobicContact CB-CD1 3.93Å; D58-I66 HydrophobicContact CB-CG1 3.93Å; I66-S68 PolarHBondContact O-N 3.38Å; I66-S200 CarbonylContact C-O 3.6Å; I66-S200 WeakPolarHBondContact CA-O 3.41Å; I66-S200 WeakPolarHBondContact CG1-OG 3.31Å; I66-A202 HydrophobicContact CG2-CB 3.81Å |
| 67 | L | 90.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 112.3 | 165 | -176.2 | 60 | 0 | 0 | 0 | 109.4 | A53 L55 S69 W70 L199 S200 F201 A202 Y210 L246 | A53-L67 HydrophobicContact CB-CD1 4.3Å; L55-L67 HydrophobicContact CD1-CD1 4.3Å; L55-L67 HydrophobicContact CD2-CD1 4.34Å; L55-L67 HydrophobicContact CG-CD1 3.88Å; L67-S69 WeakPolarHBondContact CD1-O 3.33Å; L67-W70 HydrophobicContact CD1-CB 4.21Å; L67-W70 HydrophobicContact CD2-CB 4.09Å; L67-W70 HydrophobicContact CD2-CE3 4.26Å; L67-W70 HydrophobicContact CG-CB 4.45Å; L67-L199 HydrophobicContact CB-CD1 4.02Å; L67-L199 HydrophobicContact CB-CG 4.36Å; L67-L199 HydrophobicContact CD2-CD2 4.49Å; L67-S200 PolarHBondContact N-O 3.34Å; L67-F201 HydrophobicContact CB-CD1 4.26Å; L67-F201 HydrophobicContact CD2-CD1 4.25Å; L67-F201 HydrophobicContact CD2-CE1 4.06Å; L67-A202 PolarHBondContact O-N 2.96Å; L67-Y210 HydrophobicContact CD2-CE2 3.65Å; L67-L246 HydrophobicContact CD1-CD1 3.7Å; L67-L246 HydrophobicContact CD2-CD1 3.92Å; L67-L246 HydrophobicContact CG-CD1 4.38Å |
| 68 | S | 85.7 | Confident | 84.9 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -26 | -176.5 | -27.2 | 0 | 0 | 0 | 0 | 113.2 | S54 I66 K108 | S54-S68 PolarHBondContact O-N 2.79Å; I66-S68 PolarHBondContact O-N 3.38Å; S68-K108 VanDerWaalsContact CB-CE 3.47Å; S68-K108 PolarHBondContact O-NZ 2.91Å |
| 69 | S | 87.3 | Confident | 84 | Confident | 17 Ų | 17 | 56 Ų | 56 | 12% | 0.119 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 144 | 174 | -173 | 0 | 0 | 0 | 0 | 110 | A53 S54 L67 | A53-S69 CarbonylContact C-O 3.52Å; A53-S69 VanDerWaalsContact CA-O 3.3Å; A53-S69 WeakPolarHBondContact CA-O 3.43Å; S54-S69 PolarHBondContact N-O 2.83Å; S54-S69 PolarHBondContact O-N 3.2Å; L67-S69 WeakPolarHBondContact CD1-O 3.33Å |
| 70 | W | 90.2 | Very high | 83.2 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.011 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 115.3 | 173.3 | -172.2 | 27.2 | 0 | 0 | 0 | 108.7 | Y52 L67 I189 L192 Y210 I213 F214 L242 L246 | Y52-W70 WeakPolarHBondContact O-CA 3.31Å; L67-W70 HydrophobicContact CD1-CB 4.21Å; L67-W70 HydrophobicContact CD2-CB 4.09Å; L67-W70 HydrophobicContact CD2-CE3 4.26Å; L67-W70 HydrophobicContact CG-CB 4.45Å; W70-I189 HydrophobicContact CZ3-CG2 4.23Å; W70-L192 HydrophobicContact CH2-CD2 4.02Å; W70-L192 HydrophobicContact CZ2-CD2 4.41Å; W70-Y210 HydrophobicContact CB-CD1 3.98Å; W70-Y210 HydrophobicContact CB-CE1 3.63Å; W70-Y210 HydrophobicContact CE3-CD1 4.09Å; W70-Y210 AromaticContact CE3-CD2 3.77Å; W70-Y210 HydrophobicContact CE3-CD2 3.77Å; W70-Y210 HydrophobicContact CE3-CE2 4.23Å; W70-Y210 AromaticContact CE3-CG 3.69Å; W70-Y210 HydrophobicContact CE3-CG 3.69Å; W70-Y210 HydrophobicContact CZ3-CD2 4.3Å; W70-Y210 HydrophobicContact CZ3-CG 4.33Å; W70-I213 VanDerWaalsContact O-CD1 3.23Å; W70-I213 WeakPolarHBondContact O-CD1 3.44Å; W70-F214 HydrophobicContact CE3-CE2 4.42Å; W70-F214 HydrophobicContact CH2-CD2 4.5Å; W70-F214 AromaticContact CH2-CE2 3.29Å; W70-F214 HydrophobicContact CH2-CE2 3.29Å; W70-F214 AromaticContact CH2-CZ 3.53Å; W70-F214 HydrophobicContact CH2-CZ 3.53Å; W70-F214 AromaticContact CZ2-CE2 3.48Å; W70-F214 HydrophobicContact CZ2-CE2 3.48Å; W70-F214 VanDerWaalsContact CZ2-CE2 3.48Å; W70-F214 AromaticContact CZ2-CZ 3.59Å; W70-F214 HydrophobicContact CZ2-CZ 3.59Å; W70-F214 AromaticContact CZ3-CE2 3.81Å; W70-F214 HydrophobicContact CZ3-CE2 3.81Å; W70-F214 HydrophobicContact CZ3-CZ 4.45Å; W70-L242 HydrophobicContact CZ2-CB 3.95Å; W70-L242 WeakPolarHBondContact CZ2-O 3.42Å; W70-L242 PolarHBondContact NE1-O 3.07Å; W70-L246 HydrophobicContact CD2-CD2 4.29Å; W70-L246 HydrophobicContact CE3-CD2 4.18Å; W70-L246 HydrophobicContact CH2-CD2 3.68Å; W70-L246 HydrophobicContact CZ2-CB 3.98Å; W70-L246 HydrophobicContact CZ2-CD2 3.78Å; W70-L246 HydrophobicContact CZ3-CD2 3.89Å |
| 71 | N | 89.6 | Confident | 82.4 | Confident | 37 Ų | 37 | 56 Ų | 56 | 20% | 0.198 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 169.4 | -168.6 | -154.7 | -10.5 | 0 | 0 | 0 | 112.6 | S51 Y52 I213 L242 | S51-N71 WeakPolarHBondContact CA-O 3.32Å; Y52-N71 HydrophobicContact CD1-CB 4.4Å; Y52-N71 HydrophobicContact CE1-CB 3.67Å; Y52-N71 HydrophobicContact CE2-CB 4.21Å; Y52-N71 PolarHBondContact N-O 3.04Å; Y52-N71 PolarHBondContact O-N 3.46Å; Y52-N71 WeakPolarHBondContact OH-CB 3.27Å; N71-I213 HydrophobicContact CB-CD1 4.3Å; N71-L242 VanDerWaalsContact O-CD2 3.26Å; N71-L242 WeakPolarHBondContact O-CD2 3.47Å |
| 72 | S | 88.9 | Confident | 81.7 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 123.1 | 176.7 | -170.3 | 0 | 0 | 0 | 0 | 111 | R49 L50 S51 | R49-S72 PolarHBondContact NE-OG 2.85Å; R49-S72 PolarHBondContact NH2-O 3.35Å; L50-S72 CarbonylContact O-C 3.56Å; L50-S72 WeakPolarHBondContact O-CA 3.33Å; S51-S72 PolarHBondContact OG-OG 3.26Å; S51-S72 VanDerWaalsContact OG-OG 3.09Å |
| 73 | L | 86.2 | Confident | 81.5 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 141 | -179.8 | -57.4 | 174.1 | 0 | 0 | 0 | 110.2 | R49 L50 Y52 I95 R98 | R49-L73 CarbonylContact C-O 3.6Å; R49-L73 WeakPolarHBondContact CA-O 3.17Å; L50-L73 PolarHBondContact N-O 2.9Å; L50-L73 PolarHBondContact O-N 2.95Å; Y52-L73 HydrophobicContact CE1-CD1 4.08Å; Y52-L73 HydrophobicContact CE1-CG 3.95Å; L73-I95 HydrophobicContact CD1-CG1 4.27Å; L73-I95 HydrophobicContact CD1-CG2 4.19Å; L73-R98 HydrophobicContact CD1-CB 4.33Å; L73-R98 HydrophobicContact CD1-CG 4.27Å; L73-R98 HydrophobicContact CD2-CG 4.49Å |
| 74 | P | 83.8 | Confident | 81.1 | Confident | 92 Ų | 92 | 51.4 Ų | 51.4 | 60% | 0.597 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 140.5 | 172.1 | 28.8 | -33.6 | 0 | 0 | 0 | 111.1 | D48 | D48-P74 CarbonylContact O-C 3.52Å |
| 75 | L | 79.9 | Confident | 80.4 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | trans | -120 | 150.1 | 169.1 | -65.5 | 176 | 0 | 0 | 0 | 108.8 | V45 D48 R49 L50 L77 M91 I95 F133 | V45-L75 HydrophobicContact CG1-CD1 3.75Å; D48-L75 CarbonylContact C-O 3.35Å; D48-L75 VanDerWaalsContact CA-O 3.29Å; D48-L75 WeakPolarHBondContact CA-O 3.49Å; D48-L75 PolarHBondContact O-N 3.02Å; R49-L75 VanDerWaalsContact O-CD1 3.22Å; R49-L75 WeakPolarHBondContact O-CD1 3.26Å; L50-L75 HydrophobicContact CB-CD1 3.99Å; L50-L75 HydrophobicContact CB-CD2 4.3Å; L50-L75 HydrophobicContact CB-CG 4.11Å; L75-L77 HydrophobicContact CB-CD2 4.48Å; L75-L77 HydrophobicContact CB-CG 4.21Å; L75-L77 HydrophobicContact CD1-CD1 4.29Å; L75-L77 HydrophobicContact CD1-CD2 4.23Å; L75-L77 HydrophobicContact CD1-CG 4.12Å; L75-M91 HydrophobicContact CB-SD 4.24Å; L75-M91 HydrophobicContact CD2-CG 4.34Å; L75-M91 HydrophobicContact CD2-SD 3.62Å; L75-I95 HydrophobicContact CD2-CD1 3.15Å; L75-I95 HydrophobicContact CG-CD1 4.41Å; L75-F133 HydrophobicContact CD1-CE1 4.28Å; L75-F133 HydrophobicContact CD1-CZ 4.31Å; L75-F133 HydrophobicContact CD2-CE1 4.28Å; L75-F133 HydrophobicContact CD2-CE2 4.24Å; L75-F133 HydrophobicContact CD2-CZ 3.61Å | ||
| 76 | N | 77.5 | Confident | 79.8 | Confident | 125 Ų | 125 | 58.9 Ų | 58.9 | 67% | 0.668 | 31% | 0.314 | S | S | * | . | trans | -124.5 | 63.9 | 165.7 | -79.7 | -29.4 | 0 | 0 | 0 | 108.2 | M91 | N76-M91 HydrophobicContact CB-CE 3.99Å; N76-M91 VanDerWaalsContact O-CE 3.23Å; N76-M91 WeakPolarHBondContact O-CE 3.35Å | ||
| 77 | L | 74.6 | Confident | 79.1 | Confident | 24 Ų | 24 | 62 Ų | 62 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 131.6 | -177.2 | -65.5 | -174.2 | 0 | 0 | 0 | 109.4 | V45 T46 A47 L75 S79 M91 R130 F133 | V45-L77 HydrophobicContact CG1-CD1 3.85Å; T46-L77 VanDerWaalsContact O-CD1 3.27Å; T46-L77 WeakPolarHBondContact O-CD1 3.1Å; A47-L77 WeakPolarHBondContact O-CB 3.33Å; A47-L77 PolarHBondContact O-N 3.36Å; L75-L77 HydrophobicContact CB-CD2 4.48Å; L75-L77 HydrophobicContact CB-CG 4.21Å; L75-L77 HydrophobicContact CD1-CD1 4.29Å; L75-L77 HydrophobicContact CD1-CD2 4.23Å; L75-L77 HydrophobicContact CD1-CG 4.12Å; L77-S79 PolarHBondContact O-N 2.85Å; L77-M91 HydrophobicContact CD2-SD 4.49Å; L77-R130 HydrophobicContact CD1-CG 4.36Å; L77-F133 HydrophobicContact CD2-CB 4.35Å; L77-F133 HydrophobicContact CD2-CD1 4.35Å; L77-F133 HydrophobicContact CD2-CD2 3.09Å; L77-F133 HydrophobicContact CD2-CE1 4.49Å; L77-F133 HydrophobicContact CD2-CE2 3.3Å; L77-F133 HydrophobicContact CD2-CG 3.68Å; L77-F133 HydrophobicContact CD2-CZ 4.02Å; L77-F133 HydrophobicContact CG-CD2 4.48Å |
| 78 | P | 71.2 | Confident | 78.3 | Confident | 33 Ų | 33 | 62 Ų | 62 | 21% | 0.214 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 128.8 | 178.3 | 21.1 | -29.6 | 0 | 0 | 0 | 109.3 | M87 C88 | P78-M87 HydrophobicContact CB-CE 4.06Å; P78-M87 HydrophobicContact CB-SD 4.49Å; P78-M87 HydrophobicContact CG-CB 4.18Å; P78-C88 VanDerWaalsContact CD-SG 3.59Å |
| 79 | S | 67.7 | Low | 77.7 | Confident | 125 Ų | 125 | 63.8 Ų | 63.8 | 87% | 0.874 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 139.2 | 173.6 | 53.5 | 0 | 0 | 0 | 0 | 109.5 | L77 | L77-S79 PolarHBondContact O-N 2.85Š|
| 80 | G | 66.7 | Low | 77.2 | Confident | 53 Ų | 53 | 67.4 Ų | 67.4 | 55% | 0.546 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 158.3 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V129 | G80-V129 WeakPolarHBondContact O-CG2 3.26Š|
| 81 | K | 68.9 | Low | 76.6 | Confident | 197 Ų | 197 | 69.3 Ų | 69.3 | 86% | 0.857 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -91.6 | -14.7 | 177 | -65 | -175.1 | 179.6 | -179.9 | 0 | 113.2 | ||
| 82 | E | 70.4 | Confident | 76 | Confident | 130 Ų | 130 | 67.5 Ų | 67.5 | 61% | 0.607 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -124.7 | 137.2 | -174.6 | -68.6 | 179.4 | 165.9 | 0 | 0 | 111.3 | R84 | E82-R84 IonicContact OE2-NE 2.73Å; E82-R84 IonicContact OE2-NH2 3.9Å |
| 83 | F | 74.9 | Confident | 75.5 | Confident | 34 Ų | 34 | 72.6 Ų | 72.6 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | trans | -77.7 | 124.6 | 169.7 | 176.8 | -112.6 | 0 | 0 | 0 | 110.2 | P85 F92 G132 F133 Y136 | F83-P85 HydrophobicContact CD1-CG 4.11Å; F83-P85 HydrophobicContact CE1-CB 4.09Å; F83-P85 HydrophobicContact CE1-CG 3.67Å; F83-P85 HydrophobicContact CZ-CB 4.38Å; F83-P85 HydrophobicContact CZ-CG 4.41Å; F83-F92 HydrophobicContact CE2-CE2 4.36Å; F83-F92 HydrophobicContact CZ-CE2 4.15Å; F83-F92 HydrophobicContact CZ-CZ 4.49Å; F83-G132 VanDerWaalsContact CE1-C 3.46Å; F83-G132 WeakPolarHBondContact CE1-O 3.47Å; F83-G132 WeakPolarHBondContact CZ-O 3.17Å; F83-F133 HydrophobicContact CD2-CB 4.38Å; F83-F133 VanDerWaalsContact CE2-CA 3.45Å; F83-F133 HydrophobicContact CE2-CB 3.95Å; F83-Y136 HydrophobicContact CE1-CD2 4.36Å; F83-Y136 HydrophobicContact CE1-CG 4.37Å; F83-Y136 HydrophobicContact CZ-CD2 4.4Å; F83-Y136 HydrophobicContact CZ-CG 4.04Å | ||
| 84 | R | 77 | Confident | 75.1 | Confident | 113 Ų | 113 | 74 Ų | 74 | 43% | 0.426 | 41% | 0.405 | S | S | . | . | trans | -117.8 | 101.3 | 178 | -66.8 | -170.6 | -179.6 | -163.5 | 1.4 | 110 | E82 Y86 M87 | E82-R84 IonicContact OE2-NE 2.73Å; E82-R84 IonicContact OE2-NH2 3.9Å; R84-Y86 VanDerWaalsContact C-N 3.26Å; R84-Y86 HydrophobicContact CB-CD1 4.12Å; R84-Y86 HydrophobicContact CB-CE1 3.67Å; R84-Y86 WeakPolarHBondContact CD-OH 3.43Å; R84-Y86 HydrophobicContact CG-CE1 4.15Å; R84-Y86 PolarHBondContact NH1-OH 2.62Å; R84-Y86 PolarHBondContact O-N 3.32Å; R84-Y86 VanDerWaalsContact O-N 3.13Å; R84-M87 HydrophobicContact CB-CB 4.4Å; R84-M87 HydrophobicContact CB-CG 3.88Å; R84-M87 HydrophobicContact CB-SD 3.85Å; R84-M87 HydrophobicContact CG-SD 4.38Å; R84-M87 WeakPolarHBondContact O-CB 3.42Å; R84-M87 PolarHBondContact O-N 2.89Å | ||
| 85 | P | 74.5 | Confident | 75 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 14% | 0.143 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -53.3 | -40 | -171.9 | -25.9 | 29.8 | 0 | 0 | 0 | 114.5 | F83 M87 C88 S89 Y136 | F83-P85 HydrophobicContact CD1-CG 4.11Å; F83-P85 HydrophobicContact CE1-CB 4.09Å; F83-P85 HydrophobicContact CE1-CG 3.67Å; F83-P85 HydrophobicContact CZ-CB 4.38Å; F83-P85 HydrophobicContact CZ-CG 4.41Å; P85-M87 VanDerWaalsContact C-N 3.26Å; P85-M87 PolarHBondContact O-N 3.09Å; P85-C88 PolarHBondContact O-N 2.79Å; P85-S89 PolarHBondContact O-N 3.31Å; P85-Y136 HydrophobicContact CB-CD2 3.76Å; P85-Y136 HydrophobicContact CB-CE2 3.53Å; P85-Y136 HydrophobicContact CG-CD2 4.39Å; P85-Y136 HydrophobicContact CG-CE2 4.48Å |
| 86 | Y | 79 | Confident | 74.7 | Confident | 146 Ų | 146 | 70.1 Ų | 70.1 | 57% | 0.573 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63 | -31.4 | -177.6 | 68.5 | -92.1 | 0 | 0 | 0 | 112.9 | R84 C88 S89 | R84-Y86 VanDerWaalsContact C-N 3.26Å; R84-Y86 HydrophobicContact CB-CD1 4.12Å; R84-Y86 HydrophobicContact CB-CE1 3.67Å; R84-Y86 WeakPolarHBondContact CD-OH 3.43Å; R84-Y86 HydrophobicContact CG-CE1 4.15Å; R84-Y86 PolarHBondContact NH1-OH 2.62Å; R84-Y86 PolarHBondContact O-N 3.32Å; R84-Y86 VanDerWaalsContact O-N 3.13Å; Y86-C88 PolarHBondContact O-N 3.29Å; Y86-S89 PolarHBondContact O-OG 3.3Å |
| 87 | M | 76.2 | Confident | 74.7 | Confident | 96 Ų | 96 | 69.3 Ų | 69.3 | 47% | 0.473 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72 | -20.2 | -179.5 | -62.4 | -172.2 | 71.4 | 0 | 0 | 112.9 | P78 R84 P85 | P78-M87 HydrophobicContact CB-CE 4.06Å; P78-M87 HydrophobicContact CB-SD 4.49Å; P78-M87 HydrophobicContact CG-CB 4.18Å; R84-M87 HydrophobicContact CB-CB 4.4Å; R84-M87 HydrophobicContact CB-CG 3.88Å; R84-M87 HydrophobicContact CB-SD 3.85Å; R84-M87 HydrophobicContact CG-SD 4.38Å; R84-M87 WeakPolarHBondContact O-CB 3.42Å; R84-M87 PolarHBondContact O-N 2.89Å; P85-M87 VanDerWaalsContact C-N 3.26Å; P85-M87 PolarHBondContact O-N 3.09Å |
| 88 | C | 73.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -104.6 | -6.3 | -177.1 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | P78 P85 Y86 S90 M91 F92 F133 | P78-C88 VanDerWaalsContact CD-SG 3.59Å; P85-C88 PolarHBondContact O-N 2.79Å; Y86-C88 PolarHBondContact O-N 3.29Å; C88-S90 PolarHBondContact O-N 2.77Å; C88-M91 PolarHBondContact O-N 3.29Å; C88-F92 HydrophobicContact CB-CD2 3.34Å; C88-F92 HydrophobicContact CB-CE2 3.2Å; C88-F92 HydrophobicContact CB-CZ 4.31Å; C88-F92 WeakPolarHBondContact O-CB 3.01Å; C88-F92 WeakPolarHBondContact O-CD2 3.46Å; C88-F92 PolarHBondContact O-N 2.81Å; C88-F133 HydrophobicContact CB-CD2 4.34Å; C88-F133 HydrophobicContact CB-CE2 4.43Å |
| 89 | S | 74.4 | Confident | 75.1 | Confident | 57 Ų | 57 | 72.6 Ų | 72.6 | 40% | 0.399 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.7 | -41.2 | -166 | 69 | 0 | 0 | 0 | 0 | 114.7 | P85 Y86 K93 | P85-S89 PolarHBondContact O-N 3.31Å; Y86-S89 PolarHBondContact O-OG 3.3Å; S89-K93 PolarHBondContact O-N 2.85Å |
| 90 | S | 75.1 | Confident | 75.3 | Confident | 92 Ų | 92 | 67 Ų | 67 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.4 | -45.7 | 179.4 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | C88 F92 K93 A94 | C88-S90 PolarHBondContact O-N 2.77Å; S90-F92 VanDerWaalsContact C-N 3.33Å; S90-K93 PolarHBondContact O-N 3.14Å; S90-A94 PolarHBondContact O-N 3.38Å |
| 91 | M | 78 | Confident | 75.7 | Confident | 43 Ų | 43 | 70 Ų | 70 | 21% | 0.212 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 175.5 | -173.5 | -168.1 | -50.6 | 0 | 0 | 111.1 | L75 N76 L77 C88 A94 I95 F133 | L75-M91 HydrophobicContact CB-SD 4.24Å; L75-M91 HydrophobicContact CD2-CG 4.34Å; L75-M91 HydrophobicContact CD2-SD 3.62Å; N76-M91 HydrophobicContact CB-CE 3.99Å; N76-M91 VanDerWaalsContact O-CE 3.23Å; N76-M91 WeakPolarHBondContact O-CE 3.35Å; L77-M91 HydrophobicContact CD2-SD 4.49Å; C88-M91 PolarHBondContact O-N 3.29Å; M91-A94 PolarHBondContact O-N 3.44Å; M91-I95 HydrophobicContact CG-CD1 3.77Å; M91-I95 WeakPolarHBondContact O-CB 3.45Å; M91-I95 VanDerWaalsContact O-CG1 3.3Å; M91-I95 WeakPolarHBondContact O-CG1 3.22Å; M91-I95 PolarHBondContact O-N 2.57Å; M91-I95 VanDerWaalsContact O-N 3.09Å; M91-I95 HydrophobicContact SD-CD1 4.45Å; M91-F133 HydrophobicContact SD-CE2 4.42Å |
| 92 | F | 78.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.2 | -56 | 173.8 | -87.2 | -60.3 | 0 | 0 | 0 | 111.1 | F83 C88 S90 A94 I95 T96 F133 Y136 L137 | F83-F92 HydrophobicContact CE2-CE2 4.36Å; F83-F92 HydrophobicContact CZ-CE2 4.15Å; F83-F92 HydrophobicContact CZ-CZ 4.49Å; C88-F92 HydrophobicContact CB-CD2 3.34Å; C88-F92 HydrophobicContact CB-CE2 3.2Å; C88-F92 HydrophobicContact CB-CZ 4.31Å; C88-F92 WeakPolarHBondContact O-CB 3.01Å; C88-F92 WeakPolarHBondContact O-CD2 3.46Å; C88-F92 PolarHBondContact O-N 2.81Å; S90-F92 VanDerWaalsContact C-N 3.33Å; F92-A94 PolarHBondContact O-N 2.6Å; F92-A94 VanDerWaalsContact O-N 3.13Å; F92-I95 CarbonylContact O-C 3.49Å; F92-I95 PolarHBondContact O-N 3.27Å; F92-T96 PolarHBondContact O-N 3.39Å; F92-T96 PolarHBondContact O-OG1 3.37Å; F92-F133 HydrophobicContact CD1-CE1 4.4Å; F92-F133 AromaticContact CD1-CE2 3.9Å; F92-F133 HydrophobicContact CD1-CE2 3.9Å; F92-F133 AromaticContact CD1-CZ 3.82Å; F92-F133 HydrophobicContact CD1-CZ 3.82Å; F92-F133 HydrophobicContact CD2-CD2 4.48Å; F92-F133 HydrophobicContact CD2-CE2 4.18Å; F92-F133 AromaticContact CE1-CD1 3.78Å; F92-F133 HydrophobicContact CE1-CD1 3.78Å; F92-F133 AromaticContact CE1-CD2 3.56Å; F92-F133 HydrophobicContact CE1-CD2 3.56Å; F92-F133 AromaticContact CE1-CE1 3.5Å; F92-F133 HydrophobicContact CE1-CE1 3.5Å; F92-F133 VanDerWaalsContact CE1-CE1 3.5Å; F92-F133 AromaticContact CE1-CE2 3.24Å; F92-F133 HydrophobicContact CE1-CE2 3.24Å; F92-F133 AromaticContact CE1-CG 3.82Å; F92-F133 HydrophobicContact CE1-CG 3.82Å; F92-F133 AromaticContact CE1-CZ 3.21Å; F92-F133 HydrophobicContact CE1-CZ 3.21Å; F92-F133 WeakPolarHBondContact CE1-O 3.39Å; F92-F133 AromaticContact CE2-CD2 3.5Å; F92-F133 HydrophobicContact CE2-CD2 3.5Å; F92-F133 AromaticContact CE2-CE2 3.6Å; F92-F133 HydrophobicContact CE2-CE2 3.6Å; F92-F133 HydrophobicContact CE2-CG 4.25Å; F92-F133 HydrophobicContact CE2-CZ 4.43Å; F92-F133 HydrophobicContact CG-CE2 4.31Å; F92-F133 HydrophobicContact CZ-CB 4.06Å; F92-F133 AromaticContact CZ-CD1 3.8Å; F92-F133 HydrophobicContact CZ-CD1 3.8Å; F92-F133 AromaticContact CZ-CD2 2.94Å; F92-F133 HydrophobicContact CZ-CD2 2.94Å; F92-F133 AromaticContact CZ-CE1 3.92Å; F92-F133 HydrophobicContact CZ-CE1 3.92Å; F92-F133 AromaticContact CZ-CE2 3.1Å; F92-F133 HydrophobicContact CZ-CE2 3.1Å; F92-F133 AromaticContact CZ-CG 3.33Å; F92-F133 HydrophobicContact CZ-CG 3.33Å; F92-F133 AromaticContact CZ-CZ 3.61Å; F92-F133 HydrophobicContact CZ-CZ 3.61Å; F92-F133 WeakPolarHBondContact CZ-O 3.4Å; F92-Y136 HydrophobicContact CB-CE1 4.44Å; F92-Y136 HydrophobicContact CD1-CD1 4.23Å; F92-Y136 AromaticContact CD2-CD1 3.28Å; F92-Y136 HydrophobicContact CD2-CD1 3.28Å; F92-Y136 AromaticContact CD2-CE1 3.61Å; F92-Y136 HydrophobicContact CD2-CE1 3.61Å; F92-Y136 HydrophobicContact CD2-CG 4.31Å; F92-Y136 HydrophobicContact CE1-CD1 4.24Å; F92-Y136 AromaticContact CE2-CD1 3.26Å; F92-Y136 HydrophobicContact CE2-CD1 3.26Å; F92-Y136 HydrophobicContact CE2-CE1 4.01Å; F92-Y136 AromaticContact CE2-CG 3.88Å; F92-Y136 HydrophobicContact CE2-CG 3.88Å; F92-Y136 AromaticContact CG-CD1 3.79Å; F92-Y136 HydrophobicContact CG-CD1 3.79Å; F92-Y136 HydrophobicContact CG-CE1 4.1Å; F92-Y136 AromaticContact CZ-CD1 3.75Å; F92-Y136 HydrophobicContact CZ-CD1 3.75Å; F92-Y136 HydrophobicContact CZ-CG 4.21Å; F92-L137 HydrophobicContact CD1-CB 4.27Å; F92-L137 HydrophobicContact CD1-CD1 3.85Å; F92-L137 HydrophobicContact CE1-CB 3.66Å; F92-L137 HydrophobicContact CE1-CD1 4.02Å; F92-L137 HydrophobicContact CE1-CG 4.39Å |
| 93 | K | 77.6 | Confident | 75.5 | Confident | 111 Ų | 111 | 55.3 Ų | 55.3 | 48% | 0.483 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -50.8 | -46.5 | -175.3 | -174.1 | 175.8 | -179.6 | -175.3 | 0 | 112.3 | S89 S90 Q97 | S89-K93 PolarHBondContact O-N 2.85Å; S90-K93 PolarHBondContact O-N 3.14Å; K93-Q97 WeakPolarHBondContact O-CB 3.37Å; K93-Q97 WeakPolarHBondContact O-CG 3.41Å; K93-Q97 PolarHBondContact O-N 2.89Å |
| 94 | A | 78.7 | Confident | 74.8 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 50% | 0.496 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S90 M91 F92 Q97 R98 | S90-A94 PolarHBondContact O-N 3.38Å; M91-A94 PolarHBondContact O-N 3.44Å; F92-A94 PolarHBondContact O-N 2.6Å; F92-A94 VanDerWaalsContact O-N 3.13Å; A94-Q97 PolarHBondContact O-N 2.93Å; A94-R98 PolarHBondContact O-N 2.92Å; A94-R98 VanDerWaalsContact O-N 3.11Å |
| 95 | I | 80.3 | Confident | 74 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.3 | -43.6 | -179.4 | -72.5 | 176.5 | 0 | 0 | 0 | 111.5 | L50 L73 L75 M91 F92 R98 L99 L137 | L50-I95 HydrophobicContact CD1-CG2 3.85Å; L73-I95 HydrophobicContact CD1-CG1 4.27Å; L73-I95 HydrophobicContact CD1-CG2 4.19Å; L75-I95 HydrophobicContact CD2-CD1 3.15Å; L75-I95 HydrophobicContact CG-CD1 4.41Å; M91-I95 HydrophobicContact CG-CD1 3.77Å; M91-I95 WeakPolarHBondContact O-CB 3.45Å; M91-I95 VanDerWaalsContact O-CG1 3.3Å; M91-I95 WeakPolarHBondContact O-CG1 3.22Å; M91-I95 PolarHBondContact O-N 2.57Å; M91-I95 VanDerWaalsContact O-N 3.09Å; M91-I95 HydrophobicContact SD-CD1 4.45Å; F92-I95 CarbonylContact O-C 3.49Å; F92-I95 PolarHBondContact O-N 3.27Å; I95-R98 PolarHBondContact O-N 3.1Å; I95-L99 HydrophobicContact CG2-CD1 3.86Å; I95-L99 WeakPolarHBondContact O-CB 3.3Å; I95-L99 PolarHBondContact O-N 3.14Å; I95-L137 HydrophobicContact CG2-CD1 4.4Å |
| 96 | T | 74.9 | Confident | 72.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68 | -38.9 | 179.9 | -27.1 | 0 | 0 | 0 | 0 | 110.9 | F92 R98 L99 V100 L137 Y140 L141 | F92-T96 PolarHBondContact O-N 3.39Å; F92-T96 PolarHBondContact O-OG1 3.37Å; T96-R98 VanDerWaalsContact C-N 3.27Å; T96-R98 PolarHBondContact O-N 2.69Å; T96-L99 PolarHBondContact O-N 3.28Å; T96-V100 HydrophobicContact CG2-CG2 4.31Å; T96-V100 VanDerWaalsContact O-CB 3.27Å; T96-V100 WeakPolarHBondContact O-CB 3.48Å; T96-V100 WeakPolarHBondContact O-CG2 2.94Å; T96-V100 PolarHBondContact O-N 3.44Å; T96-L137 HydrophobicContact CG2-CD1 4.16Å; T96-Y140 HydrophobicContact CG2-CD1 3.56Å; T96-Y140 HydrophobicContact CG2-CE1 4.34Å; T96-Y140 HydrophobicContact CG2-CG 4.38Å; T96-Y140 WeakPolarHBondContact OG1-CD1 3.34Å; T96-L141 HydrophobicContact CG2-CB 4.36Å; T96-L141 HydrophobicContact CG2-CD2 3.37Å; T96-L141 HydrophobicContact CG2-CG 3.55Å |
| 97 | Q | 76.3 | Confident | 71.2 | Confident | 108 Ų | 108 | 56 Ų | 56 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 172.5 | -78.2 | 176 | -23.8 | 0 | 0 | 111.6 | K93 A94 H101 | K93-Q97 WeakPolarHBondContact O-CB 3.37Å; K93-Q97 WeakPolarHBondContact O-CG 3.41Å; K93-Q97 PolarHBondContact O-N 2.89Å; A94-Q97 PolarHBondContact O-N 2.93Å; Q97-H101 VanDerWaalsContact O-CB 3.27Å; Q97-H101 WeakPolarHBondContact O-CB 3.45Å; Q97-H101 PolarHBondContact O-N 3.08Å |
| 98 | R | 76.9 | Confident | 69.9 | Low | 125 Ų | 125 | 54.3 Ų | 54.3 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.7 | -45 | 177 | -170.8 | 64.8 | -176 | -155.9 | 1.5 | 112.6 | L73 A94 I95 T96 H101 D102 | L73-R98 HydrophobicContact CD1-CB 4.33Å; L73-R98 HydrophobicContact CD1-CG 4.27Å; L73-R98 HydrophobicContact CD2-CG 4.49Å; A94-R98 PolarHBondContact O-N 2.92Å; A94-R98 VanDerWaalsContact O-N 3.11Å; I95-R98 PolarHBondContact O-N 3.1Å; T96-R98 VanDerWaalsContact C-N 3.27Å; T96-R98 PolarHBondContact O-N 2.69Å; R98-H101 PolarHBondContact O-N 2.96Å; R98-D102 IonicContact NE-OD1 3.51Å; R98-D102 IonicContact NE-OD2 3.62Å; R98-D102 WeakPolarHBondContact O-CB 3.2Å; R98-D102 PolarHBondContact O-N 3.38Å |
| 99 | L | 77.9 | Confident | 68.6 | Low | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 175.8 | -91.6 | 159.7 | 0 | 0 | 0 | 111.2 | I43 L50 Y52 I95 T96 H101 D102 I103 L137 L141 | I43-L99 HydrophobicContact CG2-CD2 4.12Å; L50-L99 HydrophobicContact CD1-CD1 4Å; L50-L99 HydrophobicContact CD2-CD1 3.94Å; L50-L99 HydrophobicContact CD2-CD2 4.45Å; L50-L99 HydrophobicContact CD2-CG 4.43Å; Y52-L99 HydrophobicContact CD1-CD2 4.28Å; Y52-L99 HydrophobicContact CD2-CD2 3.99Å; Y52-L99 HydrophobicContact CG-CD2 3.86Å; I95-L99 HydrophobicContact CG2-CD1 3.86Å; I95-L99 WeakPolarHBondContact O-CB 3.3Å; I95-L99 PolarHBondContact O-N 3.14Å; T96-L99 PolarHBondContact O-N 3.28Å; L99-H101 VanDerWaalsContact C-N 3.31Å; L99-H101 PolarHBondContact O-N 2.83Å; L99-D102 PolarHBondContact O-N 3.33Å; L99-D102 VanDerWaalsContact O-N 3.15Å; L99-I103 HydrophobicContact CB-CD1 4.24Å; L99-I103 HydrophobicContact CD2-CD1 4.02Å; L99-I103 WeakPolarHBondContact O-CB 3.4Å; L99-I103 WeakPolarHBondContact O-CD1 3.46Å; L99-I103 WeakPolarHBondContact O-CG1 3.17Å; L99-I103 PolarHBondContact O-N 2.95Å; L99-L137 HydrophobicContact CD1-CD1 4.21Å; L99-L137 HydrophobicContact CD1-CD2 4.19Å; L99-L141 HydrophobicContact CB-CD2 4.36Å |
| 100 | V | 73 | Confident | 67.2 | Low | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | T96 D102 I103 C104 L141 E144 | T96-V100 HydrophobicContact CG2-CG2 4.31Å; T96-V100 VanDerWaalsContact O-CB 3.27Å; T96-V100 WeakPolarHBondContact O-CB 3.48Å; T96-V100 WeakPolarHBondContact O-CG2 2.94Å; T96-V100 PolarHBondContact O-N 3.44Å; V100-D102 VanDerWaalsContact C-N 3.34Å; V100-D102 PolarHBondContact O-N 3.15Å; V100-I103 PolarHBondContact O-N 3.42Å; V100-C104 HydrophobicContact CG1-CB 4.17Å; V100-C104 VanDerWaalsContact O-CA 3.27Å; V100-C104 WeakPolarHBondContact O-CA 3.47Å; V100-C104 WeakPolarHBondContact O-CB 3.5Å; V100-C104 PolarHBondContact O-N 2.82Å; V100-L141 HydrophobicContact CG2-CD2 3.69Å; V100-E144 HydrophobicContact CG2-CB 4.33Å |
| 101 | H | 73.4 | Confident | 65.8 | Low | 116 Ų | 116 | 59.3 Ų | 59.3 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 174.3 | 175.9 | -82.8 | 0 | 0 | 0 | 112 | Q97 R98 L99 S105 | Q97-H101 VanDerWaalsContact O-CB 3.27Å; Q97-H101 WeakPolarHBondContact O-CB 3.45Å; Q97-H101 PolarHBondContact O-N 3.08Å; R98-H101 PolarHBondContact O-N 2.96Å; L99-H101 VanDerWaalsContact C-N 3.31Å; L99-H101 PolarHBondContact O-N 2.83Å; H101-S105 WeakPolarHBondContact O-CB 3.49Å; H101-S105 PolarHBondContact O-N 3.4Å |
| 102 | D | 68.7 | Low | 64.7 | Low | 14 Ų | 14 | 57.9 Ų | 57.9 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -76.5 | -25.7 | -175.7 | -72.9 | 5.5 | 0 | 0 | 0 | 113.6 | Y52 R98 L99 V100 | Y52-D102 HydrophobicContact CE2-CB 4.01Å; Y52-D102 WeakPolarHBondContact CE2-OD2 3.42Å; Y52-D102 VanDerWaalsContact CZ-OD2 3.31Å; Y52-D102 PolarHBondContact OH-OD2 2.95Å; R98-D102 IonicContact NE-OD1 3.51Å; R98-D102 IonicContact NE-OD2 3.62Å; R98-D102 WeakPolarHBondContact O-CB 3.2Å; R98-D102 PolarHBondContact O-N 3.38Å; L99-D102 PolarHBondContact O-N 3.33Å; L99-D102 VanDerWaalsContact O-N 3.15Å; V100-D102 VanDerWaalsContact C-N 3.34Å; V100-D102 PolarHBondContact O-N 3.15Å |
| 103 | I | 67.1 | Low | 64.4 | Low | 6 Ų | 6 | 59.9 Ų | 59.9 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -84.6 | -46.2 | 175.4 | -68.1 | 166.4 | 0 | 0 | 0 | 110.7 | C41 L99 V100 F114 | C41-I103 HydrophobicContact CB-CD1 3.7Å; C41-I103 HydrophobicContact CB-CG1 3.72Å; L99-I103 HydrophobicContact CB-CD1 4.24Å; L99-I103 HydrophobicContact CD2-CD1 4.02Å; L99-I103 WeakPolarHBondContact O-CB 3.4Å; L99-I103 WeakPolarHBondContact O-CD1 3.46Å; L99-I103 WeakPolarHBondContact O-CG1 3.17Å; L99-I103 PolarHBondContact O-N 2.95Å; V100-I103 PolarHBondContact O-N 3.42Å; I103-F114 HydrophobicContact CB-CE2 4.3Å; I103-F114 HydrophobicContact CB-CZ 4.27Å; I103-F114 HydrophobicContact CD1-CE1 4.31Å; I103-F114 HydrophobicContact CD1-CE2 4.44Å; I103-F114 HydrophobicContact CD1-CZ 3.71Å; I103-F114 HydrophobicContact CG1-CE2 4.16Å; I103-F114 HydrophobicContact CG1-CZ 3.94Å; I103-F114 HydrophobicContact CG2-CD1 4.01Å; I103-F114 HydrophobicContact CG2-CD2 3.61Å; I103-F114 HydrophobicContact CG2-CE1 3.7Å; I103-F114 HydrophobicContact CG2-CE2 3.24Å; I103-F114 HydrophobicContact CG2-CG 3.97Å; I103-F114 HydrophobicContact CG2-CZ 3.31Å |
| 104 | C | 60.1 | Low | 64.4 | Low | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -107.4 | 11.9 | -165.3 | -51.1 | 0 | 0 | 0 | 0 | 113.9 | V100 S106 L109 F150 | V100-C104 HydrophobicContact CG1-CB 4.17Å; V100-C104 VanDerWaalsContact O-CA 3.27Å; V100-C104 WeakPolarHBondContact O-CA 3.47Å; V100-C104 WeakPolarHBondContact O-CB 3.5Å; V100-C104 PolarHBondContact O-N 2.82Å; C104-S106 PolarHBondContact O-N 2.89Å; C104-L109 HydrophobicContact CB-CD1 3.85Å; C104-F150 HydrophobicContact CB-CD2 4.04Å; C104-F150 HydrophobicContact CB-CE2 4.34Å; C104-F150 HydrophobicContact CB-CG 4.41Å |
| 105 | S | 60.4 | Low | 64.5 | Low | 32 Ų | 32 | 52.2 Ų | 52.2 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | trans | -53.2 | 128.3 | 169.7 | 60.6 | 0 | 0 | 0 | 0 | 109.1 | H101 E107 K108 | H101-S105 WeakPolarHBondContact O-CB 3.49Å; H101-S105 PolarHBondContact O-N 3.4Å; S105-E107 PolarHBondContact O-N 2.99Å; S105-K108 PolarHBondContact O-N 3.49Å; S105-K108 WeakPolarHBondContact OG-CD 3.38Å | ||
| 106 | S | 44.4 | Very low | 64.7 | Low | 109 Ų | 109 | 51.7 Ų | 51.7 | 76% | 0.762 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -22.8 | -169.1 | 53.7 | 0 | 0 | 0 | 0 | 115.1 | C104 K108 | C104-S106 PolarHBondContact O-N 2.89Å; S106-K108 VanDerWaalsContact C-N 3.32Å |
| 107 | E | 50.7 | Low | 65.2 | Low | 179 Ų | 179 | 51.7 Ų | 51.7 | 84% | 0.836 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.2 | 177.4 | -66.6 | 179.2 | 168.6 | 0 | 0 | 114 | S105 | S105-E107 PolarHBondContact O-N 2.99Š|
| 108 | K | 49.2 | Very low | 65.6 | Low | 60 Ų | 60 | 46.8 Ų | 46.8 | 26% | 0.261 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -15.5 | -171.4 | -65.1 | -176.1 | -176.6 | 176.3 | 0 | 114.9 | S68 S105 S106 | S68-K108 VanDerWaalsContact CB-CE 3.47Å; S68-K108 PolarHBondContact O-NZ 2.91Å; S105-K108 PolarHBondContact O-N 3.49Å; S105-K108 WeakPolarHBondContact OG-CD 3.38Å; S106-K108 VanDerWaalsContact C-N 3.32Å |
| 109 | L | 45.5 | Very low | 66 | Low | 43 Ų | 43 | 40.9 Ų | 40.9 | 23% | 0.225 | 23% | 0.232 | C | C | . | . | trans | -103.5 | 78.1 | -179.7 | -77.3 | 168.7 | 0 | 0 | 0 | 109.9 | C104 S111 F114 | C104-L109 HydrophobicContact CB-CD1 3.85Å; L109-S111 PolarHBondContact O-N 3.27Å; L109-S111 VanDerWaalsContact O-N 3.11Å; L109-F114 HydrophobicContact CD2-CB 4.06Å | ||
| 110 | T | 44.9 | Very low | 65.8 | Low | 87 Ų | 87 | 41.3 Ų | 41.3 | 53% | 0.534 | 23% | 0.234 | S | C | . | . | trans | -78.8 | 79.6 | 172.7 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | G112 | T110-G112 PolarHBondContact O-N 3.24Š| ||
| 111 | S | 46.4 | Very low | 65.4 | Low | 124 Ų | 124 | 41.9 Ų | 41.9 | 87% | 0.867 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 57.6 | -14.1 | 171.3 | 66.4 | 0 | 0 | 0 | 0 | 119.2 | L109 | L109-S111 PolarHBondContact O-N 3.27Å; L109-S111 VanDerWaalsContact O-N 3.11Å |
| 112 | G | 53.9 | Low | 64.7 | Low | 13 Ų | 13 | 44.6 Ų | 44.6 | 13% | 0.134 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -82.4 | 152.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I36 T110 | I36-G112 CarbonylContact O-C 3.58Å; T110-G112 PolarHBondContact O-N 3.24Å |
| 113 | Q | 71.1 | Confident | 63.8 | Low | 43 Ų | 43 | 46.2 Ų | 46.2 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 142.5 | 174.8 | -77.6 | -178.6 | -15.5 | 0 | 0 | 110.4 | H33 I36 I37 E38 | H33-Q113 PolarHBondContact CD2-OE1 3.32Å; H33-Q113 VanDerWaalsContact CD2-OE1 3.24Å; I36-Q113 HydrophobicContact CB-CB 4.1Å; I36-Q113 HydrophobicContact CB-CG 3.93Å; I36-Q113 HydrophobicContact CG2-CB 3.98Å; I36-Q113 HydrophobicContact CG2-CG 3.59Å; I36-Q113 PolarHBondContact O-N 3.36Å; I37-Q113 VanDerWaalsContact CA-O 3.29Å; I37-Q113 WeakPolarHBondContact CA-O 3.3Å; I37-Q113 HydrophobicContact CG1-CB 4.14Å; E38-Q113 PolarHBondContact N-O 3.37Å; E38-Q113 VanDerWaalsContact N-O 3.15Å |
| 114 | F | 78.8 | Confident | 63.2 | Low | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 139.6 | 177.3 | 166.2 | -96 | 0 | 0 | 0 | 110.3 | C40 C41 I103 L109 L151 L156 P157 | C40-F114 VanDerWaalsContact C-CE2 3.46Å; C41-F114 HydrophobicContact CB-CE2 3.56Å; C41-F114 HydrophobicContact CB-CZ 3.34Å; I103-F114 HydrophobicContact CB-CE2 4.3Å; I103-F114 HydrophobicContact CB-CZ 4.27Å; I103-F114 HydrophobicContact CD1-CE1 4.31Å; I103-F114 HydrophobicContact CD1-CE2 4.44Å; I103-F114 HydrophobicContact CD1-CZ 3.71Å; I103-F114 HydrophobicContact CG1-CE2 4.16Å; I103-F114 HydrophobicContact CG1-CZ 3.94Å; I103-F114 HydrophobicContact CG2-CD1 4.01Å; I103-F114 HydrophobicContact CG2-CD2 3.61Å; I103-F114 HydrophobicContact CG2-CE1 3.7Å; I103-F114 HydrophobicContact CG2-CE2 3.24Å; I103-F114 HydrophobicContact CG2-CG 3.97Å; I103-F114 HydrophobicContact CG2-CZ 3.31Å; L109-F114 HydrophobicContact CD2-CB 4.06Å; F114-L151 HydrophobicContact CB-CD2 4.5Å; F114-L156 HydrophobicContact CD1-CD1 3.44Å; F114-L156 VanDerWaalsContact CD1-CD1 3.44Å; F114-L156 HydrophobicContact CE1-CD1 3.64Å; F114-P157 WeakPolarHBondContact O-CD 3.47Å; F114-P157 WeakPolarHBondContact O-CG 3.19Å |
| 115 | A | 81 | Confident | 62.6 | Low | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 144.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I37 S39 C40 C41 P157 F159 F252 | I37-A115 HydrophobicContact CD1-CB 4.12Å; I37-A115 HydrophobicContact CG1-CB 4.5Å; I37-A115 HydrophobicContact CG2-CB 3.8Å; S39-A115 PolarHBondContact O-N 3.24Å; C40-A115 CarbonylContact C-O 3.58Å; C40-A115 WeakPolarHBondContact CA-O 3.22Å; C40-A115 HydrophobicContact CB-CB 4.35Å; C40-A115 WeakPolarHBondContact CB-O 3.19Å; C41-A115 PolarHBondContact N-O 3.06Å; A115-P157 WeakPolarHBondContact CA-O 3.36Å; A115-P157 HydrophobicContact CB-CG 4.19Å; A115-F159 HydrophobicContact CB-CD2 3.94Å; A115-F159 HydrophobicContact CB-CE2 3.77Å; A115-F252 HydrophobicContact CB-CE1 4Å; A115-F252 HydrophobicContact CB-CZ 3.84Å |
| 116 | L | 83.4 | Confident | 62.5 | Low | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.1 | 167.5 | -166.7 | 73.6 | 0 | 0 | 0 | 109.3 | C41 I43 I138 L141 L156 P157 I158 F159 | C41-L116 HydrophobicContact CB-CD1 4.38Å; C41-L116 CarbonylContact O-C 3.48Å; C41-L116 WeakPolarHBondContact O-CA 3.47Å; C41-L116 WeakPolarHBondContact O-CD1 3.31Å; I43-L116 HydrophobicContact CD1-CD1 3.98Å; I43-L116 HydrophobicContact CD1-CD2 3.97Å; I43-L116 HydrophobicContact CD1-CG 4.24Å; I43-L116 HydrophobicContact CG1-CD1 4.15Å; I43-L116 HydrophobicContact CG1-CG 4.38Å; I43-L116 HydrophobicContact CG2-CD1 4.22Å; L116-I138 HydrophobicContact CD2-CD1 4.12Å; L116-I138 HydrophobicContact CD2-CG1 3.58Å; L116-L141 HydrophobicContact CD1-CD1 4.36Å; L116-L141 HydrophobicContact CD2-CD1 4.38Å; L116-L156 HydrophobicContact CB-CD2 3.99Å; L116-L156 HydrophobicContact CB-CG 4.24Å; L116-L156 HydrophobicContact CD2-CD2 4.27Å; L116-P157 PolarHBondContact N-O 2.77Å; L116-I158 HydrophobicContact CB-CG1 4.19Å; L116-I158 HydrophobicContact CB-CG2 4.39Å; L116-I158 HydrophobicContact CD2-CD1 4.16Å; L116-I158 HydrophobicContact CD2-CG1 4.42Å; L116-I158 HydrophobicContact CD2-CG2 4.37Å; L116-I158 CarbonylContact O-C 3.49Å; L116-I158 VanDerWaalsContact O-CA 3.23Å; L116-I158 WeakPolarHBondContact O-CA 3.23Å; L116-F159 PolarHBondContact O-N 3.08Å |
| 117 | V | 85.6 | Confident | 63.4 | Low | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.6 | 173.4 | -175.6 | 0 | 0 | 0 | 0 | 107.8 | C40 C41 T42 I43 F159 M161 D248 F252 | C40-V117 HydrophobicContact CB-CG2 4Å; C41-V117 PolarHBondContact O-N 3.43Å; T42-V117 CarbonylContact C-O 3.55Å; T42-V117 WeakPolarHBondContact CA-O 3.48Å; T42-V117 HydrophobicContact CG2-CB 3.98Å; T42-V117 HydrophobicContact CG2-CG1 3.95Å; T42-V117 WeakPolarHBondContact OG1-CB 3.5Å; I43-V117 PolarHBondContact N-O 3.23Å; V117-F159 CarbonylContact C-O 3.38Å; V117-F159 WeakPolarHBondContact CA-O 3.48Å; V117-F159 HydrophobicContact CG2-CB 4.46Å; V117-M161 HydrophobicContact CG1-CG 4.46Å; V117-D248 HydrophobicContact CG1-CB 4.48Å; V117-F252 HydrophobicContact CG2-CB 3.96Å; V117-F252 HydrophobicContact CG2-CD1 3.85Å; V117-F252 HydrophobicContact CG2-CD2 3.87Å; V117-F252 HydrophobicContact CG2-CE1 4.35Å; V117-F252 HydrophobicContact CG2-CE2 4.39Å; V117-F252 HydrophobicContact CG2-CG 3.59Å |
| 118 | Y | 85.7 | Confident | 64.2 | Low | 6 Ų | 6 | 44.9 Ų | 44.9 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133 | 174.7 | 168.3 | -106.2 | 0 | 0 | 0 | 110 | A21 S120 S121 M134 F159 T160 | A21-Y118 HydrophobicContact CB-CE1 3.88Å; Y118-S120 PolarHBondContact O-N 3.22Å; Y118-S121 PolarHBondContact OH-OG 2.85Å; Y118-M134 HydrophobicContact CD2-CE 3.36Å; Y118-M134 HydrophobicContact CD2-CG 4.49Å; Y118-M134 HydrophobicContact CD2-SD 4.16Å; Y118-M134 HydrophobicContact CE2-CE 3.93Å; Y118-M134 HydrophobicContact CE2-CG 4.13Å; Y118-M134 HydrophobicContact CE2-SD 4.19Å; Y118-M134 HydrophobicContact CG-CE 4.13Å; Y118-F159 PolarHBondContact N-O 3.33Å; Y118-T160 HydrophobicContact CD1-CG2 3.9Å; Y118-T160 WeakPolarHBondContact O-CA 3.5Å; Y118-T160 WeakPolarHBondContact O-CB 3.46Å; Y118-T160 WeakPolarHBondContact O-CG2 3.36Å |
| 119 | V | 85.1 | Confident | 65.2 | Low | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | trans | -69.1 | 115.9 | 175 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | T42 I43 E44 S121 N244 V245 D248 | T42-V119 HydrophobicContact CG2-CG2 3.81Å; I43-V119 PolarHBondContact O-N 2.71Å; E44-V119 HydrophobicContact CB-CB 3.89Å; E44-V119 HydrophobicContact CB-CG2 3.9Å; E44-V119 HydrophobicContact CG-CB 4.03Å; E44-V119 HydrophobicContact CG-CG1 4.29Å; V119-S121 PolarHBondContact O-N 2.8Å; V119-N244 HydrophobicContact CG1-CB 3.82Å; V119-N244 HydrophobicContact CG2-CB 4.18Å; V119-V245 HydrophobicContact CG2-CB 4.33Å; V119-V245 HydrophobicContact CG2-CG1 3.67Å; V119-D248 WeakPolarHBondContact CA-OD2 3.47Å; V119-D248 HydrophobicContact CG2-CB 4.27Å | ||
| 120 | S | 72.7 | Confident | 66.5 | Low | 8 Ų | 8 | 42.4 Ų | 42.4 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | trans | -64.4 | 106.6 | 179.2 | 52 | 0 | 0 | 0 | 0 | 111.4 | Y118 M161 R166 | Y118-S120 PolarHBondContact O-N 3.22Å; S120-M161 PolarHBondContact OG-O 3.41Å; S120-R166 PolarHBondContact O-NH2 2.82Å; S120-R166 PolarHBondContact OG-NH1 2.85Å; S120-R166 PolarHBondContact OG-NH2 2.9Å | ||
| 121 | S | 66.1 | Low | 67.8 | Low | 19 Ų | 19 | 38.6 Ų | 38.6 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -103.7 | 147 | 175.9 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | Y118 V119 L123 | Y118-S121 PolarHBondContact OH-OG 2.85Å; V119-S121 PolarHBondContact O-N 2.8Å; S121-L123 PolarHBondContact O-N 2.93Å |
| 122 | K | 58.2 | Low | 69.3 | Low | 174 Ų | 174 | 33.3 Ų | 33.3 | 76% | 0.757 | 20% | 0.195 | S | C | * | . | P | Polyproline II helix | trans | -63.2 | 132.7 | 171.7 | -78.5 | -174.9 | 176.6 | -178.8 | 0 | 109.5 | S124 | K122-S124 PolarHBondContact O-N 3.15Š|
| 123 | L | 49.2 | Very low | 70.4 | Confident | 47 Ų | 47 | 32.7 Ų | 32.7 | 25% | 0.246 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 120.9 | 178.8 | -74.5 | 167.5 | 0 | 0 | 0 | 110.5 | L18 A21 L24 S121 S127 | L18-L123 HydrophobicContact CB-CD1 3.81Å; L18-L123 HydrophobicContact CD2-CD1 3.82Å; L18-L123 HydrophobicContact CD2-CD2 4.34Å; L18-L123 HydrophobicContact CG-CD1 4.45Å; A21-L123 HydrophobicContact CB-CD2 3.98Å; L24-L123 HydrophobicContact CD1-CD2 4.38Å; S121-L123 PolarHBondContact O-N 2.93Å; L123-S127 WeakPolarHBondContact CA-OG 3.4Å |
| 124 | S | 55.6 | Low | 70.7 | Confident | 64 Ų | 64 | 30.7 Ų | 30.7 | 45% | 0.448 | 18% | 0.18 | S | C | . | . | trans | -118.1 | 175.5 | 162.7 | 70.1 | 0 | 0 | 0 | 0 | 109.6 | K122 A126 S127 R130 | K122-S124 PolarHBondContact O-N 3.15Å; S124-A126 PolarHBondContact O-N 3.48Å; S124-S127 PolarHBondContact N-OG 2.65Å; S124-S127 WeakPolarHBondContact O-CA 3.26Å; S124-S127 WeakPolarHBondContact O-CB 3.41Å; S124-S127 PolarHBondContact O-N 2.81Å; S124-S127 PolarHBondContact O-OG 2.93Å; S124-S127 VanDerWaalsContact O-OG 3.09Å; S124-R130 PolarHBondContact OG-NH2 2.94Å; S124-R130 VanDerWaalsContact OG-NH2 3.1Å | ||
| 125 | S | 46 | Very low | 70.6 | Confident | 120 Ų | 120 | 31.4 Ų | 31.4 | 84% | 0.839 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.8 | 178.2 | 47.3 | 0 | 0 | 0 | 0 | 113.6 | S127 | S125-S127 PolarHBondContact O-N 3.42Š|
| 126 | A | 58.7 | Low | 70.4 | Confident | 48 Ų | 48 | 33.9 Ų | 33.9 | 40% | 0.397 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -9.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S124 R130 | S124-A126 PolarHBondContact O-N 3.48Å; A126-R130 PolarHBondContact O-N 3.41Å; A126-R130 PolarHBondContact O-NE 3.09Å |
| 127 | S | 64.4 | Low | 70.2 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76.1 | -19.8 | -176.1 | -61.8 | 0 | 0 | 0 | 0 | 114.6 | L123 S124 S125 R130 A131 | L123-S127 WeakPolarHBondContact CA-OG 3.4Å; S124-S127 PolarHBondContact N-OG 2.65Å; S124-S127 WeakPolarHBondContact O-CA 3.26Å; S124-S127 WeakPolarHBondContact O-CB 3.41Å; S124-S127 PolarHBondContact O-N 2.81Å; S124-S127 PolarHBondContact O-OG 2.93Å; S124-S127 VanDerWaalsContact O-OG 3.09Å; S125-S127 PolarHBondContact O-N 3.42Å; S127-R130 PolarHBondContact OG-NH2 3.33Å; S127-A131 WeakPolarHBondContact O-CB 3.11Å; S127-A131 PolarHBondContact O-N 3.44Å |
| 128 | L | 65.8 | Low | 69.8 | Low | 72 Ų | 72 | 34.7 Ų | 34.7 | 38% | 0.377 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.9 | -45.2 | 175.4 | -85.4 | 164.9 | 0 | 0 | 0 | 111.9 | L14 R130 A131 G132 | L14-L128 HydrophobicContact CD2-CD2 3.42Å; L14-L128 VanDerWaalsContact CD2-CD2 3.42Å; L128-R130 VanDerWaalsContact C-N 3.35Å; L128-A131 PolarHBondContact O-N 3.48Å; L128-G132 PolarHBondContact O-N 2.95Å |
| 129 | V | 71.2 | Confident | 69.3 | Low | 12 Ų | 12 | 35.9 Ų | 35.9 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 175.9 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | G80 G132 F133 | G80-V129 WeakPolarHBondContact O-CG2 3.26Å; V129-G132 PolarHBondContact O-N 3.39Å; V129-F133 WeakPolarHBondContact O-CB 3.5Å; V129-F133 PolarHBondContact O-N 3.29Å |
| 130 | R | 73.6 | Confident | 68.8 | Low | 39 Ų | 39 | 38 Ų | 38 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 176.5 | -68.5 | -176.4 | -66 | -139.2 | 0.9 | 112.5 | V45 L77 S124 A126 S127 L128 F133 M134 | V45-R130 HydrophobicContact CG1-CG 4.42Å; V45-R130 WeakPolarHBondContact O-CD 3.47Å; L77-R130 HydrophobicContact CD1-CG 4.36Å; S124-R130 PolarHBondContact OG-NH2 2.94Å; S124-R130 VanDerWaalsContact OG-NH2 3.1Å; A126-R130 PolarHBondContact O-N 3.41Å; A126-R130 PolarHBondContact O-NE 3.09Å; S127-R130 PolarHBondContact OG-NH2 3.33Å; L128-R130 VanDerWaalsContact C-N 3.35Å; R130-F133 PolarHBondContact O-N 2.82Å; R130-M134 VanDerWaalsContact O-CB 3.31Å; R130-M134 WeakPolarHBondContact O-CB 2.91Å; R130-M134 WeakPolarHBondContact O-CG 3.34Å; R130-M134 PolarHBondContact O-N 3.32Å |
| 131 | A | 72.3 | Confident | 68.9 | Low | 7 Ų | 7 | 37.9 Ų | 37.9 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L24 S127 L128 M134 G135 | L24-A131 HydrophobicContact CB-CB 4.23Å; L24-A131 HydrophobicContact CD1-CB 4.16Å; S127-A131 WeakPolarHBondContact O-CB 3.11Å; S127-A131 PolarHBondContact O-N 3.44Å; L128-A131 PolarHBondContact O-N 3.48Å; A131-M134 PolarHBondContact O-N 3.19Å; A131-G135 PolarHBondContact O-N 2.73Å |
| 132 | G | 76 | Confident | 69.2 | Low | 14 Ų | 14 | 38.6 Ų | 38.6 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | F83 L128 V129 M134 G135 Y136 | F83-G132 VanDerWaalsContact CE1-C 3.46Å; F83-G132 WeakPolarHBondContact CE1-O 3.47Å; F83-G132 WeakPolarHBondContact CZ-O 3.17Å; L128-G132 PolarHBondContact O-N 2.95Å; V129-G132 PolarHBondContact O-N 3.39Å; G132-M134 VanDerWaalsContact C-N 3.35Å; G132-M134 PolarHBondContact O-N 3.4Å; G132-G135 PolarHBondContact O-N 3.24Å; G132-Y136 WeakPolarHBondContact O-CB 3.3Å; G132-Y136 PolarHBondContact O-N 3.18Å |
| 133 | F | 78.4 | Confident | 69.9 | Low | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 175 | -178.4 | -85.6 | 0 | 0 | 0 | 110.9 | V45 L50 L75 L77 F83 C88 M91 F92 V129 R130 Y136 L137 | V45-F133 HydrophobicContact CB-CD1 4.44Å; V45-F133 HydrophobicContact CG1-CD1 3.79Å; V45-F133 HydrophobicContact CG1-CE1 4.17Å; V45-F133 HydrophobicContact CG2-CD1 3.93Å; V45-F133 HydrophobicContact CG2-CE1 3.88Å; L50-F133 HydrophobicContact CD1-CE1 4.32Å; L75-F133 HydrophobicContact CD1-CE1 4.28Å; L75-F133 HydrophobicContact CD1-CZ 4.31Å; L75-F133 HydrophobicContact CD2-CE1 4.28Å; L75-F133 HydrophobicContact CD2-CE2 4.24Å; L75-F133 HydrophobicContact CD2-CZ 3.61Å; L77-F133 HydrophobicContact CD2-CB 4.35Å; L77-F133 HydrophobicContact CD2-CD1 4.35Å; L77-F133 HydrophobicContact CD2-CD2 3.09Å; L77-F133 HydrophobicContact CD2-CE1 4.49Å; L77-F133 HydrophobicContact CD2-CE2 3.3Å; L77-F133 HydrophobicContact CD2-CG 3.68Å; L77-F133 HydrophobicContact CD2-CZ 4.02Å; L77-F133 HydrophobicContact CG-CD2 4.48Å; F83-F133 HydrophobicContact CD2-CB 4.38Å; F83-F133 VanDerWaalsContact CE2-CA 3.45Å; F83-F133 HydrophobicContact CE2-CB 3.95Å; C88-F133 HydrophobicContact CB-CD2 4.34Å; C88-F133 HydrophobicContact CB-CE2 4.43Å; M91-F133 HydrophobicContact SD-CE2 4.42Å; F92-F133 HydrophobicContact CD1-CE1 4.4Å; F92-F133 AromaticContact CD1-CE2 3.9Å; F92-F133 HydrophobicContact CD1-CE2 3.9Å; F92-F133 AromaticContact CD1-CZ 3.82Å; F92-F133 HydrophobicContact CD1-CZ 3.82Å; F92-F133 HydrophobicContact CD2-CD2 4.48Å; F92-F133 HydrophobicContact CD2-CE2 4.18Å; F92-F133 AromaticContact CE1-CD1 3.78Å; F92-F133 HydrophobicContact CE1-CD1 3.78Å; F92-F133 AromaticContact CE1-CD2 3.56Å; F92-F133 HydrophobicContact CE1-CD2 3.56Å; F92-F133 AromaticContact CE1-CE1 3.5Å; F92-F133 HydrophobicContact CE1-CE1 3.5Å; F92-F133 VanDerWaalsContact CE1-CE1 3.5Å; F92-F133 AromaticContact CE1-CE2 3.24Å; F92-F133 HydrophobicContact CE1-CE2 3.24Å; F92-F133 AromaticContact CE1-CG 3.82Å; F92-F133 HydrophobicContact CE1-CG 3.82Å; F92-F133 AromaticContact CE1-CZ 3.21Å; F92-F133 HydrophobicContact CE1-CZ 3.21Å; F92-F133 WeakPolarHBondContact CE1-O 3.39Å; F92-F133 AromaticContact CE2-CD2 3.5Å; F92-F133 HydrophobicContact CE2-CD2 3.5Å; F92-F133 AromaticContact CE2-CE2 3.6Å; F92-F133 HydrophobicContact CE2-CE2 3.6Å; F92-F133 HydrophobicContact CE2-CG 4.25Å; F92-F133 HydrophobicContact CE2-CZ 4.43Å; F92-F133 HydrophobicContact CG-CE2 4.31Å; F92-F133 HydrophobicContact CZ-CB 4.06Å; F92-F133 AromaticContact CZ-CD1 3.8Å; F92-F133 HydrophobicContact CZ-CD1 3.8Å; F92-F133 AromaticContact CZ-CD2 2.94Å; F92-F133 HydrophobicContact CZ-CD2 2.94Å; F92-F133 AromaticContact CZ-CE1 3.92Å; F92-F133 HydrophobicContact CZ-CE1 3.92Å; F92-F133 AromaticContact CZ-CE2 3.1Å; F92-F133 HydrophobicContact CZ-CE2 3.1Å; F92-F133 AromaticContact CZ-CG 3.33Å; F92-F133 HydrophobicContact CZ-CG 3.33Å; F92-F133 AromaticContact CZ-CZ 3.61Å; F92-F133 HydrophobicContact CZ-CZ 3.61Å; F92-F133 WeakPolarHBondContact CZ-O 3.4Å; V129-F133 WeakPolarHBondContact O-CB 3.5Å; V129-F133 PolarHBondContact O-N 3.29Å; R130-F133 PolarHBondContact O-N 2.82Å; F133-Y136 PolarHBondContact O-N 3.01Å; F133-L137 WeakPolarHBondContact O-CB 3.15Å; F133-L137 PolarHBondContact O-N 2.9Å |
| 134 | M | 77.6 | Confident | 71 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -47.3 | 177.9 | -77.9 | -64.4 | -54.9 | 0 | 0 | 112.7 | I25 I43 V45 Y118 R130 A131 G132 Y136 L137 I138 | I25-M134 HydrophobicContact CD1-CB 3.43Å; I25-M134 VanDerWaalsContact CD1-CB 3.43Å; I25-M134 HydrophobicContact CD1-CG 4.46Å; I43-M134 HydrophobicContact CD1-CE 3.26Å; I43-M134 HydrophobicContact CD1-SD 3.9Å; I43-M134 HydrophobicContact CG1-CE 3.79Å; V45-M134 HydrophobicContact CB-CG 4.21Å; V45-M134 HydrophobicContact CB-SD 3.88Å; V45-M134 HydrophobicContact CG2-CG 4.18Å; V45-M134 HydrophobicContact CG2-SD 3.3Å; V45-M134 WeakPolarHBondContact CG2-SD 3.3Å; Y118-M134 HydrophobicContact CD2-CE 3.36Å; Y118-M134 HydrophobicContact CD2-CG 4.49Å; Y118-M134 HydrophobicContact CD2-SD 4.16Å; Y118-M134 HydrophobicContact CE2-CE 3.93Å; Y118-M134 HydrophobicContact CE2-CG 4.13Å; Y118-M134 HydrophobicContact CE2-SD 4.19Å; Y118-M134 HydrophobicContact CG-CE 4.13Å; R130-M134 VanDerWaalsContact O-CB 3.31Å; R130-M134 WeakPolarHBondContact O-CB 2.91Å; R130-M134 WeakPolarHBondContact O-CG 3.34Å; R130-M134 PolarHBondContact O-N 3.32Å; A131-M134 PolarHBondContact O-N 3.19Å; G132-M134 VanDerWaalsContact C-N 3.35Å; G132-M134 PolarHBondContact O-N 3.4Å; M134-Y136 VanDerWaalsContact C-N 3.25Å; M134-Y136 PolarHBondContact O-N 3.46Å; M134-L137 WeakPolarHBondContact O-CB 3.29Å; M134-L137 PolarHBondContact O-N 3.11Å; M134-L137 HydrophobicContact SD-CD2 4.48Å; M134-I138 HydrophobicContact CE-CD1 4.34Å; M134-I138 WeakPolarHBondContact O-CB 3.25Å; M134-I138 WeakPolarHBondContact O-CD1 3.43Å; M134-I138 VanDerWaalsContact O-CG1 3.25Å; M134-I138 WeakPolarHBondContact O-CG1 3.45Å; M134-I138 PolarHBondContact O-N 3.49Å |
| 135 | G | 75.3 | Confident | 71.5 | Confident | 23 Ų | 23 | 29.5 Ų | 29.5 | 24% | 0.237 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A131 G132 G139 | A131-G135 PolarHBondContact O-N 2.73Å; G132-G135 PolarHBondContact O-N 3.24Å; G135-G139 PolarHBondContact O-N 2.83Å |
| 136 | Y | 78 | Confident | 72.6 | Confident | 53 Ų | 53 | 27.7 Ų | 27.7 | 21% | 0.208 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.4 | -41.5 | 175.5 | -163.3 | -89.5 | 0 | 0 | 0 | 112.7 | F83 P85 F92 G132 F133 M134 I138 G139 Y140 | F83-Y136 HydrophobicContact CE1-CD2 4.36Å; F83-Y136 HydrophobicContact CE1-CG 4.37Å; F83-Y136 HydrophobicContact CZ-CD2 4.4Å; F83-Y136 HydrophobicContact CZ-CG 4.04Å; P85-Y136 HydrophobicContact CB-CD2 3.76Å; P85-Y136 HydrophobicContact CB-CE2 3.53Å; P85-Y136 HydrophobicContact CG-CD2 4.39Å; P85-Y136 HydrophobicContact CG-CE2 4.48Å; F92-Y136 HydrophobicContact CB-CE1 4.44Å; F92-Y136 HydrophobicContact CD1-CD1 4.23Å; F92-Y136 AromaticContact CD2-CD1 3.28Å; F92-Y136 HydrophobicContact CD2-CD1 3.28Å; F92-Y136 AromaticContact CD2-CE1 3.61Å; F92-Y136 HydrophobicContact CD2-CE1 3.61Å; F92-Y136 HydrophobicContact CD2-CG 4.31Å; F92-Y136 HydrophobicContact CE1-CD1 4.24Å; F92-Y136 AromaticContact CE2-CD1 3.26Å; F92-Y136 HydrophobicContact CE2-CD1 3.26Å; F92-Y136 HydrophobicContact CE2-CE1 4.01Å; F92-Y136 AromaticContact CE2-CG 3.88Å; F92-Y136 HydrophobicContact CE2-CG 3.88Å; F92-Y136 AromaticContact CG-CD1 3.79Å; F92-Y136 HydrophobicContact CG-CD1 3.79Å; F92-Y136 HydrophobicContact CG-CE1 4.1Å; F92-Y136 AromaticContact CZ-CD1 3.75Å; F92-Y136 HydrophobicContact CZ-CD1 3.75Å; F92-Y136 HydrophobicContact CZ-CG 4.21Å; G132-Y136 WeakPolarHBondContact O-CB 3.3Å; G132-Y136 PolarHBondContact O-N 3.18Å; F133-Y136 PolarHBondContact O-N 3.01Å; M134-Y136 VanDerWaalsContact C-N 3.25Å; M134-Y136 PolarHBondContact O-N 3.46Å; Y136-I138 VanDerWaalsContact C-N 3.3Å; Y136-I138 PolarHBondContact O-N 3.47Å; Y136-G139 PolarHBondContact O-N 2.73Å; Y136-Y140 WeakPolarHBondContact O-CB 3.39Å; Y136-Y140 PolarHBondContact O-N 3.42Å |
| 137 | L | 78.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.7 | -49 | 174 | -174 | 60 | 0 | 0 | 0 | 110.6 | I43 L50 F92 I95 T96 L99 F133 M134 Y140 L141 | I43-L137 HydrophobicContact CD1-CD2 3.76Å; L50-L137 HydrophobicContact CD1-CD2 3.59Å; F92-L137 HydrophobicContact CD1-CB 4.27Å; F92-L137 HydrophobicContact CD1-CD1 3.85Å; F92-L137 HydrophobicContact CE1-CB 3.66Å; F92-L137 HydrophobicContact CE1-CD1 4.02Å; F92-L137 HydrophobicContact CE1-CG 4.39Å; I95-L137 HydrophobicContact CG2-CD1 4.4Å; T96-L137 HydrophobicContact CG2-CD1 4.16Å; L99-L137 HydrophobicContact CD1-CD1 4.21Å; L99-L137 HydrophobicContact CD1-CD2 4.19Å; F133-L137 WeakPolarHBondContact O-CB 3.15Å; F133-L137 PolarHBondContact O-N 2.9Å; M134-L137 WeakPolarHBondContact O-CB 3.29Å; M134-L137 PolarHBondContact O-N 3.11Å; M134-L137 HydrophobicContact SD-CD2 4.48Å; L137-Y140 PolarHBondContact O-N 3.12Å; L137-L141 HydrophobicContact CG-CD1 4.06Å; L137-L141 HydrophobicContact CG-CG 4.48Å; L137-L141 WeakPolarHBondContact O-CB 3.38Å; L137-L141 WeakPolarHBondContact O-CG 2.77Å; L137-L141 PolarHBondContact O-N 3.16Å |
| 138 | I | 76.9 | Confident | 73.2 | Confident | 17 Ų | 17 | 35.8 Ų | 35.8 | 9% | 0.087 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -48.9 | 179.6 | -73.6 | 163.9 | 0 | 0 | 0 | 110.6 | I25 L116 M134 Y136 Y140 L141 C142 I158 | I25-I138 HydrophobicContact CD1-CD1 4.04Å; I25-I138 HydrophobicContact CG2-CD1 3.36Å; L116-I138 HydrophobicContact CD2-CD1 4.12Å; L116-I138 HydrophobicContact CD2-CG1 3.58Å; M134-I138 HydrophobicContact CE-CD1 4.34Å; M134-I138 WeakPolarHBondContact O-CB 3.25Å; M134-I138 WeakPolarHBondContact O-CD1 3.43Å; M134-I138 VanDerWaalsContact O-CG1 3.25Å; M134-I138 WeakPolarHBondContact O-CG1 3.45Å; M134-I138 PolarHBondContact O-N 3.49Å; Y136-I138 VanDerWaalsContact C-N 3.3Å; Y136-I138 PolarHBondContact O-N 3.47Å; I138-Y140 PolarHBondContact O-N 3.46Å; I138-L141 PolarHBondContact O-N 2.92Å; I138-C142 PolarHBondContact O-N 2.99Å; I138-C142 PolarHBondContact O-SG 3.32Å; I138-I158 HydrophobicContact CB-CD1 4.16Å; I138-I158 HydrophobicContact CD1-CD1 3.6Å; I138-I158 HydrophobicContact CG1-CD1 3.8Å; I138-I158 HydrophobicContact CG2-CD1 3.27Å |
| 139 | G | 75 | Confident | 73.1 | Confident | 31 Ų | 31 | 41 Ų | 41 | 32% | 0.32 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.2 | -38.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G135 Y136 T143 | G135-G139 PolarHBondContact O-N 2.83Å; Y136-G139 PolarHBondContact O-N 2.73Å; G139-T143 WeakPolarHBondContact O-CB 3.19Å; G139-T143 PolarHBondContact O-N 3.41Å; G139-T143 VanDerWaalsContact O-N 3.1Å; G139-T143 PolarHBondContact O-OG1 2.83Å |
| 140 | Y | 75.9 | Confident | 72.5 | Confident | 47 Ų | 47 | 45 Ų | 45 | 18% | 0.184 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.5 | -44.9 | 176.4 | -158.2 | -78.4 | 0 | 0 | 0 | 112.2 | T96 Y136 L137 I138 C142 T143 E144 | T96-Y140 HydrophobicContact CG2-CD1 3.56Å; T96-Y140 HydrophobicContact CG2-CE1 4.34Å; T96-Y140 HydrophobicContact CG2-CG 4.38Å; T96-Y140 WeakPolarHBondContact OG1-CD1 3.34Å; Y136-Y140 WeakPolarHBondContact O-CB 3.39Å; Y136-Y140 PolarHBondContact O-N 3.42Å; L137-Y140 PolarHBondContact O-N 3.12Å; I138-Y140 PolarHBondContact O-N 3.46Å; Y140-C142 PolarHBondContact O-N 3.38Å; Y140-T143 WeakPolarHBondContact O-CB 2.85Å; Y140-T143 PolarHBondContact O-N 2.8Å; Y140-T143 VanDerWaalsContact O-N 3.08Å; Y140-E144 HydrophobicContact CD1-CG 3.5Å; Y140-E144 HydrophobicContact CE1-CG 3.22Å; Y140-E144 PolarHBondContact O-N 3.27Å |
| 141 | L | 74 | Confident | 71.5 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55 | -51 | 174.8 | -79 | 168.3 | 0 | 0 | 0 | 110.6 | T96 L99 V100 L116 L137 I138 T143 E144 S145 L156 | T96-L141 HydrophobicContact CG2-CB 4.36Å; T96-L141 HydrophobicContact CG2-CD2 3.37Å; T96-L141 HydrophobicContact CG2-CG 3.55Å; L99-L141 HydrophobicContact CB-CD2 4.36Å; V100-L141 HydrophobicContact CG2-CD2 3.69Å; L116-L141 HydrophobicContact CD1-CD1 4.36Å; L116-L141 HydrophobicContact CD2-CD1 4.38Å; L137-L141 HydrophobicContact CG-CD1 4.06Å; L137-L141 HydrophobicContact CG-CG 4.48Å; L137-L141 WeakPolarHBondContact O-CB 3.38Å; L137-L141 WeakPolarHBondContact O-CG 2.77Å; L137-L141 PolarHBondContact O-N 3.16Å; I138-L141 PolarHBondContact O-N 2.92Å; L141-T143 VanDerWaalsContact C-N 3.27Å; L141-T143 PolarHBondContact O-N 2.91Å; L141-E144 PolarHBondContact O-N 2.99Å; L141-S145 WeakPolarHBondContact O-CB 3.35Å; L141-S145 PolarHBondContact O-N 3.4Å; L141-S145 PolarHBondContact O-OG 2.93Å; L141-L156 HydrophobicContact CB-CD2 4.44Å |
| 142 | C | 72.6 | Confident | 70.4 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 22% | 0.223 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.2 | -44.3 | 175.3 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | I138 Y140 I146 | I138-C142 PolarHBondContact O-N 2.99Å; I138-C142 PolarHBondContact O-SG 3.32Å; Y140-C142 PolarHBondContact O-N 3.38Å; C142-I146 WeakPolarHBondContact O-CB 3.5Å; C142-I146 WeakPolarHBondContact O-CD1 3.33Å; C142-I146 WeakPolarHBondContact O-CG1 3.48Å; C142-I146 PolarHBondContact O-N 3.23Å |
| 143 | T | 73.5 | Confident | 68.9 | Low | 66 Ų | 66 | 52.1 Ų | 52.1 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | -179.8 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | G139 Y140 L141 I146 K147 | G139-T143 WeakPolarHBondContact O-CB 3.19Å; G139-T143 PolarHBondContact O-N 3.41Å; G139-T143 VanDerWaalsContact O-N 3.1Å; G139-T143 PolarHBondContact O-OG1 2.83Å; Y140-T143 WeakPolarHBondContact O-CB 2.85Å; Y140-T143 PolarHBondContact O-N 2.8Å; Y140-T143 VanDerWaalsContact O-N 3.08Å; L141-T143 VanDerWaalsContact C-N 3.27Å; L141-T143 PolarHBondContact O-N 2.91Å; T143-I146 PolarHBondContact O-N 3.33Å; T143-K147 WeakPolarHBondContact O-CG 3.27Å; T143-K147 PolarHBondContact O-N 3.46Å; T143-K147 VanDerWaalsContact O-N 3.07Å |
| 144 | E | 70.8 | Confident | 67.4 | Low | 22 Ų | 22 | 55.5 Ų | 55.5 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.7 | -39.9 | 179.6 | -68.2 | -60.2 | 120.5 | 0 | 0 | 112.2 | V100 Y140 L141 I146 K147 Q148 | V100-E144 HydrophobicContact CG2-CB 4.33Å; Y140-E144 HydrophobicContact CD1-CG 3.5Å; Y140-E144 HydrophobicContact CE1-CG 3.22Å; Y140-E144 PolarHBondContact O-N 3.27Å; L141-E144 PolarHBondContact O-N 2.99Å; E144-I146 VanDerWaalsContact C-N 3.27Å; E144-I146 PolarHBondContact O-N 3.4Å; E144-K147 PolarHBondContact O-N 2.92Å; E144-K147 VanDerWaalsContact O-N 3.16Å; E144-K147 IonicContact OE1-NZ 3.81Å; E144-K147 PolarHBondContact OE1-NZ 2.84Å; E144-Q148 WeakPolarHBondContact O-CG 3.47Å; E144-Q148 PolarHBondContact O-N 2.82Å |
| 145 | S | 67.4 | Low | 66.7 | Low | 6 Ų | 6 | 59.8 Ų | 59.8 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.6 | -36.6 | 175.2 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | L141 E149 F150 L151 | L141-S145 WeakPolarHBondContact O-CB 3.35Å; L141-S145 PolarHBondContact O-N 3.4Å; L141-S145 PolarHBondContact O-OG 2.93Å; S145-E149 PolarHBondContact O-N 3.48Å; S145-F150 PolarHBondContact O-N 2.75Å; S145-F150 VanDerWaalsContact O-N 3.09Å; S145-L151 PolarHBondContact O-N 3.39Å |
| 146 | I | 68 | Low | 66.4 | Low | 83 Ų | 83 | 59.1 Ų | 59.1 | 43% | 0.426 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 173 | -70.3 | 165.6 | 0 | 0 | 0 | 110.8 | C142 T143 E144 Q148 E149 P153 | C142-I146 WeakPolarHBondContact O-CB 3.5Å; C142-I146 WeakPolarHBondContact O-CD1 3.33Å; C142-I146 WeakPolarHBondContact O-CG1 3.48Å; C142-I146 PolarHBondContact O-N 3.23Å; T143-I146 PolarHBondContact O-N 3.33Å; E144-I146 VanDerWaalsContact C-N 3.27Å; E144-I146 PolarHBondContact O-N 3.4Å; I146-Q148 VanDerWaalsContact C-N 3.26Å; I146-Q148 PolarHBondContact O-N 2.92Å; I146-E149 PolarHBondContact O-N 3.07Å; I146-E149 VanDerWaalsContact O-N 3.12Å; I146-P153 HydrophobicContact CD1-CB 4.38Å; I146-P153 HydrophobicContact CG1-CB 4.38Å |
| 147 | K | 71 | Confident | 66.1 | Low | 137 Ų | 137 | 57 Ų | 57 | 60% | 0.596 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.7 | -34.9 | -178.7 | -76.7 | 175.7 | -173.2 | 167.2 | 0 | 113.2 | T143 E144 | T143-K147 WeakPolarHBondContact O-CG 3.27Å; T143-K147 PolarHBondContact O-N 3.46Å; T143-K147 VanDerWaalsContact O-N 3.07Å; E144-K147 PolarHBondContact O-N 2.92Å; E144-K147 VanDerWaalsContact O-N 3.16Å; E144-K147 IonicContact OE1-NZ 3.81Å; E144-K147 PolarHBondContact OE1-NZ 2.84Å |
| 148 | Q | 65.5 | Low | 66 | Low | 83 Ų | 83 | 57.5 Ų | 57.5 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 8.1 | -178.8 | -63 | 179.5 | -6.6 | 0 | 0 | 112.3 | E144 I146 F150 | E144-Q148 WeakPolarHBondContact O-CG 3.47Å; E144-Q148 PolarHBondContact O-N 2.82Å; I146-Q148 VanDerWaalsContact C-N 3.26Å; I146-Q148 PolarHBondContact O-N 2.92Å; Q148-F150 HydrophobicContact CB-CD2 3.17Å; Q148-F150 HydrophobicContact CB-CE2 3.38Å; Q148-F150 HydrophobicContact CB-CG 4.01Å; Q148-F150 HydrophobicContact CB-CZ 4.33Å; Q148-F150 HydrophobicContact CG-CD2 4.15Å; Q148-F150 HydrophobicContact CG-CE2 4.08Å; Q148-F150 PolarHBondContact O-N 2.89Å |
| 149 | E | 64.1 | Low | 66.1 | Low | 181 Ų | 181 | 57 Ų | 57 | 85% | 0.846 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 15.2 | -177.2 | -60 | -176.4 | 172.7 | 0 | 0 | 114.2 | S145 I146 | S145-E149 PolarHBondContact O-N 3.48Å; I146-E149 PolarHBondContact O-N 3.07Å; I146-E149 VanDerWaalsContact O-N 3.12Å |
| 150 | F | 57.5 | Low | 66.4 | Low | 96 Ų | 96 | 55.7 Ų | 55.7 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -76.5 | -24.8 | -175.3 | -73.5 | -46.5 | 0 | 0 | 0 | 113.3 | C104 S145 Q148 | C104-F150 HydrophobicContact CB-CD2 4.04Å; C104-F150 HydrophobicContact CB-CE2 4.34Å; C104-F150 HydrophobicContact CB-CG 4.41Å; S145-F150 PolarHBondContact O-N 2.75Å; S145-F150 VanDerWaalsContact O-N 3.09Å; Q148-F150 HydrophobicContact CB-CD2 3.17Å; Q148-F150 HydrophobicContact CB-CE2 3.38Å; Q148-F150 HydrophobicContact CB-CG 4.01Å; Q148-F150 HydrophobicContact CB-CZ 4.33Å; Q148-F150 HydrophobicContact CG-CD2 4.15Å; Q148-F150 HydrophobicContact CG-CE2 4.08Å; Q148-F150 PolarHBondContact O-N 2.89Å |
| 151 | L | 53.2 | Low | 66.7 | Low | 28 Ų | 28 | 53.6 Ų | 53.6 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -131.2 | 138.4 | 175.3 | -68.2 | 173 | 0 | 0 | 0 | 109 | F114 S145 L156 | F114-L151 HydrophobicContact CB-CD2 4.5Å; S145-L151 PolarHBondContact O-N 3.39Å; L151-L156 HydrophobicContact CD1-CD1 3.88Å |
| 152 | P | 48.6 | Very low | 66.8 | Low | 75 Ų | 75 | 57 Ų | 57 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | trans | -56.7 | 148.7 | 168.2 | 23.6 | -30.2 | 0 | 0 | 0 | 109 | S154 | P152-S154 PolarHBondContact O-N 2.85Š| ||
| 153 | P | 45 | Very low | 67.2 | Low | 107 Ų | 107 | 59.1 Ų | 59.1 | 70% | 0.695 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -61.7 | 3.5 | -174.2 | 21.8 | -31.4 | 0 | 0 | 0 | 115.4 | I146 N155 | I146-P153 HydrophobicContact CD1-CB 4.38Å; I146-P153 HydrophobicContact CG1-CB 4.38Å; P153-N155 PolarHBondContact O-N 3.46Å |
| 154 | S | 47.7 | Very low | 67.5 | Low | 72 Ų | 72 | 59.9 Ų | 59.9 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -88.8 | 101.9 | 175.7 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | P152 | P152-S154 PolarHBondContact O-N 2.85Š|
| 155 | N | 62 | Low | 68.1 | Low | 90 Ų | 90 | 60.7 Ų | 60.7 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | trans | 29.4 | 97.5 | 157.3 | -64.1 | -21.4 | 0 | 0 | 0 | 116.5 | P153 P157 | P153-N155 PolarHBondContact O-N 3.46Å; N155-P157 WeakPolarHBondContact O-CD 3.35Å | ||
| 156 | L | 68.4 | Low | 69 | Low | 10 Ų | 10 | 61 Ų | 61 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | trans | -43.1 | 115.6 | 162.6 | 177.4 | 68.1 | 0 | 0 | 0 | 109.4 | F114 L116 L141 L151 I158 | F114-L156 HydrophobicContact CD1-CD1 3.44Å; F114-L156 VanDerWaalsContact CD1-CD1 3.44Å; F114-L156 HydrophobicContact CE1-CD1 3.64Å; L116-L156 HydrophobicContact CB-CD2 3.99Å; L116-L156 HydrophobicContact CB-CG 4.24Å; L116-L156 HydrophobicContact CD2-CD2 4.27Å; L141-L156 HydrophobicContact CB-CD2 4.44Å; L151-L156 HydrophobicContact CD1-CD1 3.88Å; L156-I158 WeakPolarHBondContact O-CG1 3.38Å; L156-I158 PolarHBondContact O-N 3Å | ||
| 157 | P | 72.8 | Confident | 69.8 | Low | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | trans | -71.9 | 128 | -177.5 | 27.8 | -33 | 0 | 0 | 0 | 109.2 | L29 I37 F114 A115 L116 N155 F159 | L29-P157 HydrophobicContact CD2-CB 4.03Å; I37-P157 HydrophobicContact CD1-CB 4.43Å; I37-P157 HydrophobicContact CD1-CG 4.09Å; F114-P157 WeakPolarHBondContact O-CD 3.47Å; F114-P157 WeakPolarHBondContact O-CG 3.19Å; A115-P157 WeakPolarHBondContact CA-O 3.36Å; A115-P157 HydrophobicContact CB-CG 4.19Å; L116-P157 PolarHBondContact N-O 2.77Å; N155-P157 WeakPolarHBondContact O-CD 3.35Å; P157-F159 HydrophobicContact CB-CE2 3.74Å; P157-F159 HydrophobicContact CB-CZ 4.2Å; P157-F159 HydrophobicContact CG-CE2 4.38Å | ||
| 158 | I | 76.4 | Confident | 70.6 | Confident | 9 Ų | 9 | 62.8 Ų | 62.8 | 5% | 0.046 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.1 | -175.9 | -47.2 | -174.5 | 0 | 0 | 0 | 109.8 | I25 P27 L116 I138 L156 | I25-I158 HydrophobicContact CG2-CD1 4.4Å; P27-I158 HydrophobicContact CG-CB 3.48Å; P27-I158 VanDerWaalsContact CG-CB 3.48Å; P27-I158 HydrophobicContact CG-CD1 3.59Å; P27-I158 HydrophobicContact CG-CG1 3.41Å; P27-I158 VanDerWaalsContact CG-CG1 3.41Å; L116-I158 HydrophobicContact CB-CG1 4.19Å; L116-I158 HydrophobicContact CB-CG2 4.39Å; L116-I158 HydrophobicContact CD2-CD1 4.16Å; L116-I158 HydrophobicContact CD2-CG1 4.42Å; L116-I158 HydrophobicContact CD2-CG2 4.37Å; L116-I158 CarbonylContact O-C 3.49Å; L116-I158 VanDerWaalsContact O-CA 3.23Å; L116-I158 WeakPolarHBondContact O-CA 3.23Å; I138-I158 HydrophobicContact CB-CD1 4.16Å; I138-I158 HydrophobicContact CD1-CD1 3.6Å; I138-I158 HydrophobicContact CG1-CD1 3.8Å; I138-I158 HydrophobicContact CG2-CD1 3.27Å; L156-I158 WeakPolarHBondContact O-CG1 3.38Å; L156-I158 PolarHBondContact O-N 3Å |
| 159 | F | 78.7 | Confident | 71.5 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 167.6 | -177.2 | -58.9 | -90.7 | 0 | 0 | 0 | 111.4 | L29 I37 A115 L116 V117 Y118 P157 F252 L265 | L29-F159 HydrophobicContact CD1-CD1 3.84Å; L29-F159 HydrophobicContact CD1-CE1 3.37Å; L29-F159 HydrophobicContact CD1-CZ 3.99Å; L29-F159 HydrophobicContact CD2-CE1 3.58Å; L29-F159 HydrophobicContact CD2-CE2 4.22Å; L29-F159 HydrophobicContact CD2-CZ 3.31Å; L29-F159 HydrophobicContact CG-CE1 4.11Å; L29-F159 HydrophobicContact CG-CZ 4.26Å; I37-F159 HydrophobicContact CD1-CE2 3.74Å; I37-F159 HydrophobicContact CD1-CZ 3.82Å; A115-F159 HydrophobicContact CB-CD2 3.94Å; A115-F159 HydrophobicContact CB-CE2 3.77Å; L116-F159 PolarHBondContact O-N 3.08Å; V117-F159 CarbonylContact C-O 3.38Å; V117-F159 WeakPolarHBondContact CA-O 3.48Å; V117-F159 HydrophobicContact CG2-CB 4.46Å; Y118-F159 PolarHBondContact N-O 3.33Å; P157-F159 HydrophobicContact CB-CE2 3.74Å; P157-F159 HydrophobicContact CB-CZ 4.2Å; P157-F159 HydrophobicContact CG-CE2 4.38Å; F159-F252 HydrophobicContact CB-CD2 4.08Å; F159-F252 HydrophobicContact CB-CE2 3.88Å; F159-F252 AromaticContact CD1-CE2 3.92Å; F159-F252 HydrophobicContact CD1-CE2 3.92Å; F159-F252 HydrophobicContact CD2-CD2 4.38Å; F159-F252 AromaticContact CD2-CE2 3.42Å; F159-F252 HydrophobicContact CD2-CE2 3.42Å; F159-F252 VanDerWaalsContact CD2-CE2 3.42Å; F159-F252 AromaticContact CD2-CZ 3.72Å; F159-F252 HydrophobicContact CD2-CZ 3.72Å; F159-F252 HydrophobicContact CE1-CE2 4.24Å; F159-F252 AromaticContact CE2-CE2 3.78Å; F159-F252 HydrophobicContact CE2-CE2 3.78Å; F159-F252 AromaticContact CE2-CZ 3.75Å; F159-F252 HydrophobicContact CE2-CZ 3.75Å; F159-F252 HydrophobicContact CG-CD2 4.18Å; F159-F252 AromaticContact CG-CE2 3.47Å; F159-F252 HydrophobicContact CG-CE2 3.47Å; F159-F252 VanDerWaalsContact CG-CE2 3.47Å; F159-F252 HydrophobicContact CG-CZ 4.24Å; F159-F252 HydrophobicContact CZ-CE2 4.16Å; F159-F252 HydrophobicContact CZ-CZ 4.31Å; F159-L265 HydrophobicContact CB-CD2 4.49Å |
| 160 | T | 81.8 | Confident | 72.6 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 149.9 | 164.9 | 65.2 | 0 | 0 | 0 | 0 | 108.8 | Y118 | Y118-T160 HydrophobicContact CD1-CG2 3.9Å; Y118-T160 WeakPolarHBondContact O-CA 3.5Å; Y118-T160 WeakPolarHBondContact O-CB 3.46Å; Y118-T160 WeakPolarHBondContact O-CG2 3.36Å |
| 161 | M | 80.7 | Confident | 73.9 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 150 | 173 | -81 | -59 | -67 | 0 | 0 | 111.9 | V117 S120 H163 Y165 D248 F252 L265 | V117-M161 HydrophobicContact CG1-CG 4.46Å; S120-M161 PolarHBondContact OG-O 3.41Å; M161-H163 PolarHBondContact O-N 3.38Å; M161-Y165 HydrophobicContact CE-CD1 3.86Å; M161-Y165 HydrophobicContact CE-CE1 4.36Å; M161-Y165 HydrophobicContact CE-CG 4.25Å; M161-D248 HydrophobicContact CB-CB 4.02Å; M161-D248 HydrophobicContact CG-CB 4.14Å; M161-D248 WeakPolarHBondContact CG-O 3.31Å; M161-F252 HydrophobicContact CG-CB 4.14Å; M161-F252 HydrophobicContact SD-CB 4.07Å; M161-F252 PolarHBondContact SD-N 2.74Å; M161-L265 HydrophobicContact SD-CD2 3.47Å; M161-L265 WeakPolarHBondContact SD-CD2 3.21Å; M161-L265 HydrophobicContact SD-CG 4.45Å |
| 162 | N | 76.5 | Confident | 75.2 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | trans | -59.5 | 119.7 | 175.4 | -171.7 | -39 | 0 | 0 | 0 | 110.4 | S164 Y165 R166 | N162-S164 PolarHBondContact O-N 3.48Å; N162-S164 VanDerWaalsContact O-N 3.16Å; N162-S164 VanDerWaalsContact OD1-CB 3.25Å; N162-S164 WeakPolarHBondContact OD1-CB 3.47Å; N162-S164 PolarHBondContact OD1-N 3.08Å; N162-Y165 WeakPolarHBondContact O-CB 3.46Å; N162-Y165 PolarHBondContact O-N 2.9Å; N162-R166 PolarHBondContact O-N 3.2Å | ||
| 163 | H | 80.7 | Confident | 76.8 | Confident | 79 Ų | 79 | 47.7 Ų | 47.7 | 37% | 0.366 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54 | -35.5 | 178.5 | 174 | -75.8 | 0 | 0 | 0 | 112.8 | M161 Y165 R166 K167 | M161-H163 PolarHBondContact O-N 3.38Å; H163-Y165 VanDerWaalsContact C-N 3.34Å; H163-Y165 PolarHBondContact O-N 3.18Å; H163-R166 PolarHBondContact CD2-NH2 2.79Å; H163-R166 PolarHBondContact O-N 2.8Å; H163-K167 WeakPolarHBondContact O-CB 3.43Å; H163-K167 PolarHBondContact O-N 2.8Å |
| 164 | S | 80.7 | Confident | 78.1 | Confident | 81 Ų | 81 | 52.6 Ų | 52.6 | 57% | 0.566 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -66.4 | -34.9 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | N162 H168 | N162-S164 PolarHBondContact O-N 3.48Å; N162-S164 VanDerWaalsContact O-N 3.16Å; N162-S164 VanDerWaalsContact OD1-CB 3.25Å; N162-S164 WeakPolarHBondContact OD1-CB 3.47Å; N162-S164 PolarHBondContact OD1-N 3.08Å; S164-H168 WeakPolarHBondContact O-CB 3.16Å; S164-H168 PolarHBondContact O-N 2.91Å |
| 165 | Y | 83.5 | Confident | 79 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.4 | -51.1 | 173.7 | 171.6 | -95.5 | 0 | 0 | 0 | 110.5 | M161 N162 H163 K167 H168 I169 V247 H255 | M161-Y165 HydrophobicContact CE-CD1 3.86Å; M161-Y165 HydrophobicContact CE-CE1 4.36Å; M161-Y165 HydrophobicContact CE-CG 4.25Å; N162-Y165 WeakPolarHBondContact O-CB 3.46Å; N162-Y165 PolarHBondContact O-N 2.9Å; H163-Y165 VanDerWaalsContact C-N 3.34Å; H163-Y165 PolarHBondContact O-N 3.18Å; Y165-K167 VanDerWaalsContact C-N 3.31Å; Y165-K167 PolarHBondContact O-N 3.22Å; Y165-H168 WeakPolarHBondContact O-CB 3.1Å; Y165-H168 PolarHBondContact O-N 2.88Å; Y165-H168 VanDerWaalsContact O-N 3.08Å; Y165-I169 HydrophobicContact CD1-CG1 4.5Å; Y165-I169 HydrophobicContact CE1-CG1 3.9Å; Y165-I169 HydrophobicContact CE2-CD1 4.17Å; Y165-I169 HydrophobicContact CE2-CG1 3.99Å; Y165-I169 PolarHBondContact O-N 3.21Å; Y165-I169 VanDerWaalsContact O-N 3.09Å; Y165-V247 HydrophobicContact CE1-CG1 4.17Å; Y165-H255 AromaticContact CE2-CD2 3.19Å; Y165-H255 WeakPolarHBondContact CE2-CD2 3.1Å; Y165-H255 AromaticContact CE2-NE2 3.22Å; Y165-H255 WeakPolarHBondContact CE2-NE2 3.28Å; Y165-H255 AromaticContact CZ-CD2 3.33Å; Y165-H255 AromaticContact CZ-NE2 3.55Å; Y165-H255 PolarHBondContact OH-CD2 3.15Å; Y165-H255 VanDerWaalsContact OH-CD2 3.25Å; Y165-H255 PolarHBondContact OH-NE2 3.24Å |
| 166 | R | 86.7 | Confident | 79.2 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 5% | 0.045 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.4 | -46 | 177.8 | -178.4 | 173.7 | 60.1 | -101.1 | 2.8 | 111.6 | S120 N162 H163 H168 I169 L170 N244 V247 D248 | S120-R166 PolarHBondContact O-NH2 2.82Å; S120-R166 PolarHBondContact OG-NH1 2.85Å; S120-R166 PolarHBondContact OG-NH2 2.9Å; N162-R166 PolarHBondContact O-N 3.2Å; H163-R166 PolarHBondContact CD2-NH2 2.79Å; H163-R166 PolarHBondContact O-N 2.8Å; R166-H168 VanDerWaalsContact C-N 3.29Å; R166-H168 PolarHBondContact O-N 3.31Å; R166-I169 PolarHBondContact O-N 2.82Å; R166-L170 HydrophobicContact CG-CD1 3.63Å; R166-L170 HydrophobicContact CG-CG 4.13Å; R166-L170 WeakPolarHBondContact O-CB 3.45Å; R166-L170 WeakPolarHBondContact O-CG 3.43Å; R166-L170 PolarHBondContact O-N 2.93Å; R166-N244 WeakPolarHBondContact CD-OD1 3.39Å; R166-V247 HydrophobicContact CB-CG1 4.2Å; R166-V247 HydrophobicContact CG-CB 4.36Å; R166-V247 HydrophobicContact CG-CG1 3.9Å; R166-D248 WeakPolarHBondContact CB-OD1 3.3Å; R166-D248 VanDerWaalsContact CD-OD1 3.26Å; R166-D248 WeakPolarHBondContact CD-OD1 3.44Å; R166-D248 IonicContact CZ-OD1 3.76Å; R166-D248 IonicContact CZ-OD2 3.87Å; R166-D248 IonicContact NE-OD1 3.92Å; R166-D248 IonicContact NH1-OD1 2.85Å; R166-D248 PolarHBondContact NH1-OD1 3.25Å; R166-D248 IonicContact NH1-OD2 2.8Å; R166-D248 PolarHBondContact NH1-OD2 2.86Å |
| 167 | K | 84.7 | Confident | 79 | Confident | 137 Ų | 137 | 52 Ų | 52 | 60% | 0.596 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -58 | -42 | 176.6 | -172.5 | -177.5 | 177.7 | -172.5 | 0 | 111.8 | H163 Y165 S171 | H163-K167 WeakPolarHBondContact O-CB 3.43Å; H163-K167 PolarHBondContact O-N 2.8Å; Y165-K167 VanDerWaalsContact C-N 3.31Å; Y165-K167 PolarHBondContact O-N 3.22Å; K167-S171 VanDerWaalsContact O-CB 3.3Å; K167-S171 WeakPolarHBondContact O-CB 3.4Å; K167-S171 PolarHBondContact O-N 2.9Å; K167-S171 PolarHBondContact O-OG 2.75Å |
| 168 | H | 86.6 | Confident | 78.5 | Confident | 122 Ų | 122 | 55 Ų | 55 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.9 | -48.5 | 178.5 | 176.7 | 63.8 | 0 | 0 | 0 | 112.1 | S164 Y165 R166 S171 S172 | S164-H168 WeakPolarHBondContact O-CB 3.16Å; S164-H168 PolarHBondContact O-N 2.91Å; Y165-H168 WeakPolarHBondContact O-CB 3.1Å; Y165-H168 PolarHBondContact O-N 2.88Å; Y165-H168 VanDerWaalsContact O-N 3.08Å; R166-H168 VanDerWaalsContact C-N 3.29Å; R166-H168 PolarHBondContact O-N 3.31Å; H168-S171 PolarHBondContact O-N 3.03Å; H168-S171 PolarHBondContact O-OG 2.87Å; H168-S172 PolarHBondContact O-N 3.2Å; H168-S172 PolarHBondContact O-OG 3.48Å |
| 169 | I | 86.1 | Confident | 77.8 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.3 | -50 | 177.1 | -62 | -61 | 0 | 0 | 0 | 110.8 | Y165 R166 S171 S172 W173 L196 V247 | Y165-I169 HydrophobicContact CD1-CG1 4.5Å; Y165-I169 HydrophobicContact CE1-CG1 3.9Å; Y165-I169 HydrophobicContact CE2-CD1 4.17Å; Y165-I169 HydrophobicContact CE2-CG1 3.99Å; Y165-I169 PolarHBondContact O-N 3.21Å; Y165-I169 VanDerWaalsContact O-N 3.09Å; R166-I169 PolarHBondContact O-N 2.82Å; I169-S171 VanDerWaalsContact C-N 3.28Å; I169-S171 PolarHBondContact O-N 3.45Å; I169-S172 WeakPolarHBondContact O-CB 3.46Å; I169-S172 PolarHBondContact O-N 3.48Å; I169-W173 PolarHBondContact O-N 2.91Å; I169-L196 HydrophobicContact CG2-CD2 4.02Å; I169-V247 HydrophobicContact CB-CG1 3.86Å; I169-V247 HydrophobicContact CG1-CG1 4.2Å; I169-V247 HydrophobicContact CG2-CG1 3.91Å; I169-V247 HydrophobicContact CG2-CG2 3.89Å |
| 170 | L | 87.1 | Confident | 77.2 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.6 | -26.7 | -178 | -66.2 | 179.1 | 0 | 0 | 0 | 113.3 | R166 S172 W173 L192 L240 A243 N244 V247 | R166-L170 HydrophobicContact CG-CD1 3.63Å; R166-L170 HydrophobicContact CG-CG 4.13Å; R166-L170 WeakPolarHBondContact O-CB 3.45Å; R166-L170 WeakPolarHBondContact O-CG 3.43Å; R166-L170 PolarHBondContact O-N 2.93Å; L170-S172 PolarHBondContact O-N 3.43Å; L170-W173 HydrophobicContact CD2-CE3 3.89Å; L170-W173 HydrophobicContact CD2-CZ3 4.27Å; L170-W173 WeakPolarHBondContact O-CB 3.4Å; L170-W173 PolarHBondContact O-N 3.46Å; L170-L192 HydrophobicContact CD2-CD1 4.13Å; L170-L240 HydrophobicContact CD1-CD1 3.98Å; L170-A243 HydrophobicContact CD2-CB 3.98Å; L170-N244 VanDerWaalsContact CD1-OD1 3.3Å; L170-N244 WeakPolarHBondContact CD1-OD1 3.39Å; L170-V247 HydrophobicContact CD2-CG2 3.82Å; L170-V247 HydrophobicContact CG-CG2 4.4Å |
| 171 | S | 83.8 | Confident | 76.9 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 29% | 0.287 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.9 | -18.5 | 172.3 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | K167 H168 I169 | K167-S171 VanDerWaalsContact O-CB 3.3Å; K167-S171 WeakPolarHBondContact O-CB 3.4Å; K167-S171 PolarHBondContact O-N 2.9Å; K167-S171 PolarHBondContact O-OG 2.75Å; H168-S171 PolarHBondContact O-N 3.03Å; H168-S171 PolarHBondContact O-OG 2.87Å; I169-S171 VanDerWaalsContact C-N 3.28Å; I169-S171 PolarHBondContact O-N 3.45Å |
| 172 | S | 81.1 | Confident | 76.9 | Confident | 62 Ų | 62 | 74.5 Ų | 74.5 | 43% | 0.434 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -89.2 | -22.3 | 175.7 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | H168 I169 L170 R174 | H168-S172 PolarHBondContact O-N 3.2Å; H168-S172 PolarHBondContact O-OG 3.48Å; I169-S172 WeakPolarHBondContact O-CB 3.46Å; I169-S172 PolarHBondContact O-N 3.48Å; L170-S172 PolarHBondContact O-N 3.43Å; S172-R174 PolarHBondContact O-N 3.32Å |
| 173 | W | 82.7 | Confident | 77.2 | Confident | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | trans | -64.7 | 119.1 | 164.7 | -170.9 | 29.2 | 0 | 0 | 0 | 107 | I169 L170 S175 F177 G188 L192 F214 Q233 I235 A243 | I169-W173 PolarHBondContact O-N 2.91Å; L170-W173 HydrophobicContact CD2-CE3 3.89Å; L170-W173 HydrophobicContact CD2-CZ3 4.27Å; L170-W173 WeakPolarHBondContact O-CB 3.4Å; L170-W173 PolarHBondContact O-N 3.46Å; W173-S175 PolarHBondContact NE1-OG 3.41Å; W173-F177 AromaticContact CE2-CE2 3.72Å; W173-F177 AromaticContact CE2-CZ 3.96Å; W173-F177 AromaticContact CH2-CE2 3.95Å; W173-F177 HydrophobicContact CH2-CE2 3.95Å; W173-F177 HydrophobicContact CH2-CZ 4.04Å; W173-F177 AromaticContact CZ2-CE2 3.39Å; W173-F177 HydrophobicContact CZ2-CE2 3.39Å; W173-F177 AromaticContact CZ2-CZ 3.32Å; W173-F177 HydrophobicContact CZ2-CZ 3.32Å; W173-G188 PolarHBondContact NE1-O 2.93Å; W173-L192 HydrophobicContact CB-CD1 4.35Å; W173-L192 HydrophobicContact CD2-CB 4.24Å; W173-L192 HydrophobicContact CD2-CD1 4.06Å; W173-L192 HydrophobicContact CE3-CD1 4.35Å; W173-L192 HydrophobicContact CG-CB 4.25Å; W173-L192 HydrophobicContact CG-CD1 4.11Å; W173-L192 HydrophobicContact CH2-CD2 4.2Å; W173-L192 HydrophobicContact CZ2-CB 4.06Å; W173-L192 HydrophobicContact CZ2-CD2 4.03Å; W173-F214 HydrophobicContact CH2-CE1 4.39Å; W173-Q233 VanDerWaalsContact C-NE2 3.27Å; W173-Q233 PolarHBondContact O-NE2 3.45Å; W173-I235 HydrophobicContact CE3-CD1 4.42Å; W173-I235 HydrophobicContact CH2-CD1 3.22Å; W173-I235 HydrophobicContact CZ2-CD1 4.21Å; W173-I235 HydrophobicContact CZ3-CD1 3.33Å; W173-A243 HydrophobicContact CE3-CB 4.29Å; W173-A243 HydrophobicContact CH2-CB 3.57Å; W173-A243 HydrophobicContact CZ3-CB 3.37Å | ||
| 174 | R | 70.8 | Confident | 77.2 | Confident | 210 Ų | 210 | 74.4 Ų | 74.4 | 79% | 0.792 | 37% | 0.369 | S | S | * | . | trans | -118 | 7 | -172.6 | -76.2 | -175.3 | 179.2 | -176.6 | 2 | 114 | S172 Q233 | S172-R174 PolarHBondContact O-N 3.32Å; R174-Q233 VanDerWaalsContact CA-NE2 3.3Å | ||
| 175 | S | 66.9 | Low | 77.3 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 5% | 0.049 | 34% | 0.343 | C | S | . | . | trans | -73.3 | 138.3 | -165 | -41.3 | 0 | 0 | 0 | 0 | 112.8 | W173 F177 G188 D191 | W173-S175 PolarHBondContact NE1-OG 3.41Å; S175-F177 PolarHBondContact O-N 3.45Å; S175-G188 VanDerWaalsContact CB-CA 3.41Å; S175-G188 WeakPolarHBondContact OG-CA 3.29Å; S175-D191 WeakPolarHBondContact CB-OD2 3.22Å; S175-D191 WeakPolarHBondContact OG-CB 3.17Å; S175-D191 VanDerWaalsContact OG-CG 3.23Å; S175-D191 PolarHBondContact OG-OD2 3.29Å | ||
| 176 | K | 65.8 | Low | 77.4 | Confident | 150 Ų | 150 | 71.5 Ų | 71.5 | 65% | 0.652 | 35% | 0.349 | S | S | * | . | trans | -88.6 | 106.1 | 173.3 | -69.7 | -175.5 | 179.3 | -178.7 | 0 | 109.3 | V178 | K176-V178 PolarHBondContact O-N 3.24Š| ||
| 177 | F | 65.7 | Low | 77.3 | Confident | 2 Ų | 2 | 78.4 Ų | 78.4 | 1% | 0.009 | 38% | 0.375 | C | S | . | . | trans | -76.2 | 119.5 | 171.2 | -74 | -87.6 | 0 | 0 | 0 | 109.6 | W173 S175 I185 F214 N234 I235 | W173-F177 AromaticContact CE2-CE2 3.72Å; W173-F177 AromaticContact CE2-CZ 3.96Å; W173-F177 AromaticContact CH2-CE2 3.95Å; W173-F177 HydrophobicContact CH2-CE2 3.95Å; W173-F177 HydrophobicContact CH2-CZ 4.04Å; W173-F177 AromaticContact CZ2-CE2 3.39Å; W173-F177 HydrophobicContact CZ2-CE2 3.39Å; W173-F177 AromaticContact CZ2-CZ 3.32Å; W173-F177 HydrophobicContact CZ2-CZ 3.32Å; S175-F177 PolarHBondContact O-N 3.45Å; F177-I185 HydrophobicContact CD1-CG1 3.88Å; F177-I185 HydrophobicContact CE1-CB 4.42Å; F177-I185 HydrophobicContact CE1-CG1 4.21Å; F177-I185 HydrophobicContact CE1-CG2 4.44Å; F177-F214 HydrophobicContact CE1-CD1 4.38Å; F177-N234 VanDerWaalsContact CB-O 3.29Å; F177-N234 WeakPolarHBondContact CB-O 3.18Å; F177-N234 WeakPolarHBondContact O-CB 3.27Å; F177-I235 HydrophobicContact CD2-CB 4.12Å; F177-I235 HydrophobicContact CD2-CD1 4.28Å; F177-I235 HydrophobicContact CD2-CG1 4.27Å; F177-I235 HydrophobicContact CE2-CD1 4.14Å | ||
| 178 | V | 61.5 | Low | 77.3 | Confident | 74 Ų | 74 | 71.9 Ų | 71.9 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | trans | -103.2 | 115.4 | 166.7 | -178.6 | 0 | 0 | 0 | 0 | 106.2 | K176 R180 N181 C184 | K176-V178 PolarHBondContact O-N 3.24Å; V178-R180 PolarHBondContact O-N 3.31Å; V178-N181 HydrophobicContact CB-CB 4.09Å; V178-N181 HydrophobicContact CG1-CB 4.27Å; V178-N181 PolarHBondContact O-N 3.29Å; V178-C184 HydrophobicContact CB-CB 4.27Å | ||
| 179 | S | 61.5 | Low | 77.3 | Confident | 86 Ų | 86 | 66.1 Ų | 66.1 | 60% | 0.601 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 132.5 | -178.2 | 62.7 | 0 | 0 | 0 | 0 | 110.3 | N181 | S179-N181 PolarHBondContact O-N 3.46Š|
| 180 | R | 66.2 | Low | 77.4 | Confident | 228 Ų | 228 | 69.1 Ų | 69.1 | 86% | 0.86 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 15.8 | 179.6 | -49.8 | -178.6 | 177.5 | -174.5 | -1.6 | 115.6 | V178 P182 | V178-R180 PolarHBondContact O-N 3.31Å; R180-P182 WeakPolarHBondContact O-CD 3.41Å |
| 181 | N | 76.4 | Confident | 77.4 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | trans | -101.8 | 105.5 | 164.4 | -173.4 | -31.6 | 0 | 0 | 0 | 109.5 | V178 S179 E183 C184 I185 | V178-N181 HydrophobicContact CB-CB 4.09Å; V178-N181 HydrophobicContact CG1-CB 4.27Å; V178-N181 PolarHBondContact O-N 3.29Å; S179-N181 PolarHBondContact O-N 3.46Å; N181-E183 VanDerWaalsContact C-N 3.29Å; N181-E183 PolarHBondContact O-N 3.48Å; N181-E183 WeakPolarHBondContact OD1-CB 3.35Å; N181-E183 PolarHBondContact OD1-N 2.56Å; N181-C184 HydrophobicContact CB-CB 4.13Å; N181-C184 PolarHBondContact O-N 2.93Å; N181-C184 PolarHBondContact OD1-N 3.34Å; N181-I185 PolarHBondContact O-N 3.5Å | ||
| 182 | P | 79.2 | Confident | 77.7 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 40% | 0.403 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.1 | -37.7 | -179.5 | -25 | 34.7 | 0 | 0 | 0 | 113.4 | R180 C184 I185 I186 L215 | R180-P182 WeakPolarHBondContact O-CD 3.41Å; P182-C184 PolarHBondContact O-N 3.35Å; P182-I185 PolarHBondContact O-N 2.99Å; P182-I186 VanDerWaalsContact O-CG1 3.22Å; P182-I186 WeakPolarHBondContact O-CG1 3.38Å; P182-I186 PolarHBondContact O-N 3.29Å; P182-L215 HydrophobicContact CB-CD1 4.28Å; P182-L215 HydrophobicContact CG-CD1 4.23Å |
| 183 | E | 83.3 | Confident | 78.1 | Confident | 121 Ų | 121 | 67.7 Ų | 67.7 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.6 | -40.4 | -178.6 | -63.1 | 178.5 | 179.4 | 0 | 0 | 111.9 | N181 I185 I186 R187 | N181-E183 VanDerWaalsContact C-N 3.29Å; N181-E183 PolarHBondContact O-N 3.48Å; N181-E183 WeakPolarHBondContact OD1-CB 3.35Å; N181-E183 PolarHBondContact OD1-N 2.56Å; E183-I185 VanDerWaalsContact C-N 3.3Å; E183-I185 PolarHBondContact O-N 3.33Å; E183-I186 PolarHBondContact O-N 3.39Å; E183-R187 WeakPolarHBondContact O-CG 3.13Å; E183-R187 PolarHBondContact O-N 3.39Å |
| 184 | C | 82 | Confident | 78.4 | Confident | 32 Ų | 32 | 72.5 Ų | 72.5 | 22% | 0.216 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 174.7 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | V178 N181 P182 G188 | V178-C184 HydrophobicContact CB-CB 4.27Å; N181-C184 HydrophobicContact CB-CB 4.13Å; N181-C184 PolarHBondContact O-N 2.93Å; N181-C184 PolarHBondContact OD1-N 3.34Å; P182-C184 PolarHBondContact O-N 3.35Å; C184-G188 PolarHBondContact O-N 3.31Å |
| 185 | I | 80.9 | Confident | 79.3 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.3 | -43.8 | 177.5 | -70.6 | 165 | 0 | 0 | 0 | 110.9 | F177 N181 P182 E183 G188 I189 T211 F214 L215 | F177-I185 HydrophobicContact CD1-CG1 3.88Å; F177-I185 HydrophobicContact CE1-CB 4.42Å; F177-I185 HydrophobicContact CE1-CG1 4.21Å; F177-I185 HydrophobicContact CE1-CG2 4.44Å; N181-I185 PolarHBondContact O-N 3.5Å; P182-I185 PolarHBondContact O-N 2.99Å; E183-I185 VanDerWaalsContact C-N 3.3Å; E183-I185 PolarHBondContact O-N 3.33Å; I185-G188 CarbonylContact O-C 3.5Å; I185-G188 PolarHBondContact O-N 3.43Å; I185-G188 VanDerWaalsContact O-N 3.16Å; I185-I189 HydrophobicContact CG2-CD1 3.78Å; I185-I189 HydrophobicContact CG2-CG1 4.35Å; I185-I189 WeakPolarHBondContact O-CG1 3.49Å; I185-I189 PolarHBondContact O-N 3.2Å; I185-T211 HydrophobicContact CG2-CG2 4.04Å; I185-F214 HydrophobicContact CG2-CB 3.63Å; I185-F214 HydrophobicContact CG2-CG 4.36Å; I185-L215 HydrophobicContact CD1-CD2 3.27Å; I185-L215 HydrophobicContact CD1-CG 3.6Å |
| 186 | I | 85.6 | Confident | 80.5 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 29% | 0.287 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.2 | -54 | 176.2 | -70.3 | 162.7 | 0 | 0 | 0 | 109.4 | P182 E183 G188 I189 E190 T211 | P182-I186 VanDerWaalsContact O-CG1 3.22Å; P182-I186 WeakPolarHBondContact O-CG1 3.38Å; P182-I186 PolarHBondContact O-N 3.29Å; E183-I186 PolarHBondContact O-N 3.39Å; I186-G188 PolarHBondContact O-N 3.09Å; I186-I189 PolarHBondContact O-N 2.8Å; I186-I189 VanDerWaalsContact O-N 3.12Å; I186-E190 HydrophobicContact CG2-CG 4.31Å; I186-E190 WeakPolarHBondContact O-CB 3.29Å; I186-E190 WeakPolarHBondContact O-CG 3.38Å; I186-E190 PolarHBondContact O-N 2.8Å; I186-T211 HydrophobicContact CD1-CG2 4.18Å; I186-T211 HydrophobicContact CG1-CG2 3.55Å; I186-T211 WeakPolarHBondContact CG1-OG1 3.41Å |
| 187 | R | 84.8 | Confident | 81.7 | Confident | 158 Ų | 158 | 61.8 Ų | 61.8 | 60% | 0.596 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.6 | -38.6 | 177 | -70.2 | -177.5 | -160.2 | 178.4 | 8 | 111.8 | E183 E190 D191 | E183-R187 WeakPolarHBondContact O-CG 3.13Å; E183-R187 PolarHBondContact O-N 3.39Å; R187-E190 PolarHBondContact O-N 3.39Å; R187-D191 VanDerWaalsContact O-CB 3.3Å; R187-D191 WeakPolarHBondContact O-CB 3.46Å; R187-D191 PolarHBondContact O-N 2.83Å |
| 188 | G | 85.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W173 S175 C184 I185 I186 L192 | W173-G188 PolarHBondContact NE1-O 2.93Å; S175-G188 VanDerWaalsContact CB-CA 3.41Å; S175-G188 WeakPolarHBondContact OG-CA 3.29Å; C184-G188 PolarHBondContact O-N 3.31Å; I185-G188 CarbonylContact O-C 3.5Å; I185-G188 PolarHBondContact O-N 3.43Å; I185-G188 VanDerWaalsContact O-N 3.16Å; I186-G188 PolarHBondContact O-N 3.09Å; G188-L192 PolarHBondContact O-N 3.1Å; G188-L192 VanDerWaalsContact O-N 3.1Å |
| 189 | I | 87.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.5 | -47.3 | 174.6 | -68.6 | 168.4 | 0 | 0 | 0 | 109.6 | W70 I185 I186 D191 L192 L193 F214 | W70-I189 HydrophobicContact CZ3-CG2 4.23Å; I185-I189 HydrophobicContact CG2-CD1 3.78Å; I185-I189 HydrophobicContact CG2-CG1 4.35Å; I185-I189 WeakPolarHBondContact O-CG1 3.49Å; I185-I189 PolarHBondContact O-N 3.2Å; I186-I189 PolarHBondContact O-N 2.8Å; I186-I189 VanDerWaalsContact O-N 3.12Å; I189-D191 PolarHBondContact O-N 3.21Å; I189-L192 WeakPolarHBondContact O-CB 3.07Å; I189-L192 PolarHBondContact O-N 3.42Å; I189-L192 VanDerWaalsContact O-N 3.14Å; I189-L193 HydrophobicContact CG2-CD1 3.68Å; I189-L193 HydrophobicContact CG2-CG 4.21Å; I189-L193 WeakPolarHBondContact O-CG 3Å; I189-L193 PolarHBondContact O-N 2.83Å; I189-F214 HydrophobicContact CD1-CB 4.18Å; I189-F214 HydrophobicContact CD1-CD2 3.71Å; I189-F214 HydrophobicContact CD1-CE2 4.24Å; I189-F214 HydrophobicContact CD1-CG 3.91Å; I189-F214 HydrophobicContact CG1-CD2 4.13Å; I189-F214 HydrophobicContact CG1-CE2 4.22Å; I189-F214 HydrophobicContact CG1-CG 4.27Å; I189-F214 HydrophobicContact CG1-CZ 4.47Å |
| 190 | E | 87.4 | Confident | 85.8 | Confident | 83 Ų | 83 | 60.2 Ų | 60.2 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.4 | -48.3 | 177.7 | -72.3 | 173.6 | 161.5 | 0 | 0 | 111.8 | I186 R187 L192 L193 T194 | I186-E190 HydrophobicContact CG2-CG 4.31Å; I186-E190 WeakPolarHBondContact O-CB 3.29Å; I186-E190 WeakPolarHBondContact O-CG 3.38Å; I186-E190 PolarHBondContact O-N 2.8Å; R187-E190 PolarHBondContact O-N 3.39Å; E190-L192 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 3.43Å; E190-L193 WeakPolarHBondContact O-CB 3.18Å; E190-L193 PolarHBondContact O-N 2.94Å; E190-L193 VanDerWaalsContact O-N 3.08Å; E190-T194 VanDerWaalsContact O-CG2 3.29Å; E190-T194 WeakPolarHBondContact O-CG2 3.41Å; E190-T194 PolarHBondContact O-N 3.22Å |
| 191 | D | 86.9 | Confident | 86.7 | Confident | 71 Ų | 71 | 52.6 Ų | 52.6 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.8 | -45.5 | 175.4 | -76.6 | -15.7 | 0 | 0 | 0 | 111.5 | S175 R187 I189 L193 T194 T195 | S175-D191 WeakPolarHBondContact CB-OD2 3.22Å; S175-D191 WeakPolarHBondContact OG-CB 3.17Å; S175-D191 VanDerWaalsContact OG-CG 3.23Å; S175-D191 PolarHBondContact OG-OD2 3.29Å; R187-D191 VanDerWaalsContact O-CB 3.3Å; R187-D191 WeakPolarHBondContact O-CB 3.46Å; R187-D191 PolarHBondContact O-N 2.83Å; I189-D191 PolarHBondContact O-N 3.21Å; D191-L193 VanDerWaalsContact C-N 3.32Å; D191-L193 PolarHBondContact O-N 3.39Å; D191-T194 PolarHBondContact O-N 3.33Å; D191-T194 PolarHBondContact O-OG1 3.3Å; D191-T195 PolarHBondContact O-N 3.46Å |
| 192 | L | 89.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 175.4 | 179.8 | 60.9 | 0 | 0 | 0 | 110.8 | W70 L170 W173 G188 I189 E190 T194 T195 A243 L246 V247 | W70-L192 HydrophobicContact CH2-CD2 4.02Å; W70-L192 HydrophobicContact CZ2-CD2 4.41Å; L170-L192 HydrophobicContact CD2-CD1 4.13Å; W173-L192 HydrophobicContact CB-CD1 4.35Å; W173-L192 HydrophobicContact CD2-CB 4.24Å; W173-L192 HydrophobicContact CD2-CD1 4.06Å; W173-L192 HydrophobicContact CE3-CD1 4.35Å; W173-L192 HydrophobicContact CG-CB 4.25Å; W173-L192 HydrophobicContact CG-CD1 4.11Å; W173-L192 HydrophobicContact CH2-CD2 4.2Å; W173-L192 HydrophobicContact CZ2-CB 4.06Å; W173-L192 HydrophobicContact CZ2-CD2 4.03Å; G188-L192 PolarHBondContact O-N 3.1Å; G188-L192 VanDerWaalsContact O-N 3.1Å; I189-L192 WeakPolarHBondContact O-CB 3.07Å; I189-L192 PolarHBondContact O-N 3.42Å; I189-L192 VanDerWaalsContact O-N 3.14Å; E190-L192 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 3.43Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 2.91Å; L192-T195 WeakPolarHBondContact O-CB 3.12Å; L192-T195 PolarHBondContact O-N 3.23Å; L192-T195 PolarHBondContact O-OG1 3Å; L192-A243 HydrophobicContact CD2-CB 3.86Å; L192-L246 HydrophobicContact CD2-CD2 4.3Å; L192-V247 HydrophobicContact CD1-CG2 4.16Å |
| 193 | L | 89.6 | Confident | 86.3 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -33.8 | -178.8 | -64.2 | 167.3 | 0 | 0 | 0 | 111.9 | I189 E190 D191 T195 L196 L199 F201 L246 | I189-L193 HydrophobicContact CG2-CD1 3.68Å; I189-L193 HydrophobicContact CG2-CG 4.21Å; I189-L193 WeakPolarHBondContact O-CG 3Å; I189-L193 PolarHBondContact O-N 2.83Å; E190-L193 WeakPolarHBondContact O-CB 3.18Å; E190-L193 PolarHBondContact O-N 2.94Å; E190-L193 VanDerWaalsContact O-N 3.08Å; D191-L193 VanDerWaalsContact C-N 3.32Å; D191-L193 PolarHBondContact O-N 3.39Å; L193-T195 PolarHBondContact O-N 3.3Å; L193-L196 CarbonylContact O-C 3.47Å; L193-L196 WeakPolarHBondContact O-CA 3.14Å; L193-L196 PolarHBondContact O-N 3.44Å; L193-L199 HydrophobicContact CD2-CD2 3.64Å; L193-F201 HydrophobicContact CD1-CE1 4.22Å; L193-F201 HydrophobicContact CD1-CE2 4.46Å; L193-F201 HydrophobicContact CD1-CZ 3.54Å; L193-F201 HydrophobicContact CD2-CE1 3.98Å; L193-F201 HydrophobicContact CD2-CZ 3.71Å; L193-F201 HydrophobicContact CG-CZ 4.12Å; L193-L246 HydrophobicContact CD2-CD2 4.15Å |
| 194 | T | 89 | Confident | 85.2 | Confident | 104 Ų | 104 | 54.3 Ų | 54.3 | 64% | 0.638 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.2 | -25.8 | 173.9 | 69.5 | 0 | 0 | 0 | 0 | 113.3 | E190 D191 L192 L196 | E190-T194 VanDerWaalsContact O-CG2 3.29Å; E190-T194 WeakPolarHBondContact O-CG2 3.41Å; E190-T194 PolarHBondContact O-N 3.22Å; D191-T194 PolarHBondContact O-N 3.33Å; D191-T194 PolarHBondContact O-OG1 3.3Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 2.91Å; T194-L196 PolarHBondContact O-N 3.09Å |
| 195 | T | 89.4 | Confident | 84.2 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -8.1 | 173.6 | 74.3 | 0 | 0 | 0 | 0 | 113.3 | D191 L192 L193 P197 | D191-T195 PolarHBondContact O-N 3.46Å; L192-T195 WeakPolarHBondContact O-CB 3.12Å; L192-T195 PolarHBondContact O-N 3.23Å; L192-T195 PolarHBondContact O-OG1 3Å; L193-T195 PolarHBondContact O-N 3.3Å; T195-P197 VanDerWaalsContact C-CD 3.44Å; T195-P197 VanDerWaalsContact O-CD 3.26Å; T195-P197 WeakPolarHBondContact O-CD 3.34Å |
| 196 | L | 92.9 | Very high | 83.9 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | trans | -118.9 | 65.6 | -176.3 | -52.3 | 179.6 | 0 | 0 | 0 | 110.7 | I169 L193 T194 K198 L199 L246 Y250 | I169-L196 HydrophobicContact CG2-CD2 4.02Å; L193-L196 CarbonylContact O-C 3.47Å; L193-L196 WeakPolarHBondContact O-CA 3.14Å; L193-L196 PolarHBondContact O-N 3.44Å; T194-L196 PolarHBondContact O-N 3.09Å; L196-K198 PolarHBondContact O-N 3.41Å; L196-L199 HydrophobicContact CB-CB 4.01Å; L196-L199 HydrophobicContact CB-CD2 4.37Å; L196-L199 HydrophobicContact CD1-CD2 4.02Å; L196-L199 VanDerWaalsContact O-CB 3.22Å; L196-L199 WeakPolarHBondContact O-CB 3.2Å; L196-L199 PolarHBondContact O-N 2.83Å; L196-L246 HydrophobicContact CD1-CD2 3.92Å; L196-L246 HydrophobicContact CD1-CG 3.91Å; L196-Y250 HydrophobicContact CB-CD2 4.12Å; L196-Y250 HydrophobicContact CB-CE1 4.43Å; L196-Y250 HydrophobicContact CB-CE2 3.99Å; L196-Y250 HydrophobicContact CB-CG 4.38Å; L196-Y250 HydrophobicContact CD2-CD1 3.56Å; L196-Y250 HydrophobicContact CD2-CD2 4.48Å; L196-Y250 HydrophobicContact CD2-CE1 3.87Å; L196-Y250 HydrophobicContact CD2-CG 3.89Å; L196-Y250 HydrophobicContact CG-CG 4.49Å | ||
| 197 | P | 90.8 | Very high | 83.6 | Confident | 111 Ų | 111 | 58.5 Ų | 58.5 | 72% | 0.721 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -12.4 | -163.8 | 27 | -37.9 | 0 | 0 | 0 | 115.8 | T195 | T195-P197 VanDerWaalsContact C-CD 3.44Å; T195-P197 VanDerWaalsContact O-CD 3.26Å; T195-P197 WeakPolarHBondContact O-CD 3.34Å |
| 198 | K | 92 | Very high | 83.4 | Confident | 73 Ų | 73 | 54 Ų | 54 | 32% | 0.317 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1.4 | 176.8 | -64.5 | -177.9 | 168.5 | -165.3 | 0 | 112.9 | N63 S64 V65 L196 Y250 V254 M258 | N63-K198 VanDerWaalsContact O-CD 3.26Å; N63-K198 WeakPolarHBondContact O-CD 3.3Å; N63-K198 WeakPolarHBondContact O-CG 3.38Å; S64-K198 CarbonylContact C-O 3.52Å; S64-K198 VanDerWaalsContact CA-O 3.32Å; S64-K198 WeakPolarHBondContact CA-O 3.43Å; S64-K198 WeakPolarHBondContact CB-O 3.19Å; V65-K198 PolarHBondContact N-O 3.16Å; L196-K198 PolarHBondContact O-N 3.41Å; K198-Y250 HydrophobicContact CB-CE2 3.95Å; K198-Y250 WeakPolarHBondContact CB-OH 3.12Å; K198-Y250 PolarHBondContact N-OH 3.11Å; K198-V254 HydrophobicContact CB-CG2 4.23Å; K198-V254 HydrophobicContact CD-CG1 3.78Å; K198-V254 HydrophobicContact CD-CG2 4.15Å; K198-M258 HydrophobicContact CD-CE 4.27Å |
| 199 | L | 92.9 | Very high | 83.4 | Confident | 23 Ų | 23 | 57.6 Ų | 57.6 | 12% | 0.12 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 125.2 | -177.5 | -167 | 73.2 | 0 | 0 | 0 | 109.9 | L55 V65 L67 L193 L196 L246 Y250 | L55-L199 HydrophobicContact CD2-CD1 3.6Å; V65-L199 CarbonylContact O-C 3.49Å; V65-L199 WeakPolarHBondContact O-CA 3.29Å; L67-L199 HydrophobicContact CB-CD1 4.02Å; L67-L199 HydrophobicContact CB-CG 4.36Å; L67-L199 HydrophobicContact CD2-CD2 4.49Å; L193-L199 HydrophobicContact CD2-CD2 3.64Å; L196-L199 HydrophobicContact CB-CB 4.01Å; L196-L199 HydrophobicContact CB-CD2 4.37Å; L196-L199 HydrophobicContact CD1-CD2 4.02Å; L196-L199 VanDerWaalsContact O-CB 3.22Å; L196-L199 WeakPolarHBondContact O-CB 3.2Å; L196-L199 PolarHBondContact O-N 2.83Å; L199-L246 HydrophobicContact CD2-CD1 4.05Å; L199-L246 HydrophobicContact CD2-CD2 4.37Å; L199-Y250 HydrophobicContact CB-CD2 4.2Å; L199-Y250 HydrophobicContact CB-CE2 4.17Å; L199-Y250 HydrophobicContact CD1-CD2 4.14Å |
| 200 | S | 90 | Very high | 83.3 | Confident | 34 Ų | 34 | 58.2 Ų | 58.2 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 167.7 | 169.7 | 57.8 | 0 | 0 | 0 | 0 | 110 | V65 I66 L67 | V65-S200 PolarHBondContact O-N 2.92Å; V65-S200 PolarHBondContact O-OG 2.84Å; I66-S200 CarbonylContact C-O 3.6Å; I66-S200 WeakPolarHBondContact CA-O 3.41Å; I66-S200 WeakPolarHBondContact CG1-OG 3.31Å; L67-S200 PolarHBondContact N-O 3.34Å |
| 201 | F | 85.7 | Confident | 83.2 | Confident | 67 Ų | 67 | 54.6 Ų | 54.6 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 141.1 | 179.5 | -52.9 | -79.7 | 0 | 0 | 0 | 110 | L67 L193 N203 Y210 | L67-F201 HydrophobicContact CB-CD1 4.26Å; L67-F201 HydrophobicContact CD2-CD1 4.25Å; L67-F201 HydrophobicContact CD2-CE1 4.06Å; L193-F201 HydrophobicContact CD1-CE1 4.22Å; L193-F201 HydrophobicContact CD1-CE2 4.46Å; L193-F201 HydrophobicContact CD1-CZ 3.54Å; L193-F201 HydrophobicContact CD2-CE1 3.98Å; L193-F201 HydrophobicContact CD2-CZ 3.71Å; L193-F201 HydrophobicContact CG-CZ 4.12Å; F201-N203 PolarHBondContact O-N 2.87Å; F201-Y210 HydrophobicContact CD1-CE2 4.04Å; F201-Y210 HydrophobicContact CE1-CE2 4.08Å |
| 202 | A | 73.4 | Confident | 83 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 60% | 0.595 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -66.7 | -26.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I66 L67 | I66-A202 HydrophobicContact CG2-CB 3.81Å; L67-A202 PolarHBondContact O-N 2.96Å |
| 203 | N | 74 | Confident | 82.9 | Confident | 89 Ų | 89 | 56.8 Ų | 56.8 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -134.2 | 137.1 | -177.6 | -171.3 | -27.1 | 0 | 0 | 0 | 110.8 | F201 N205 S206 | F201-N203 PolarHBondContact O-N 2.87Å; N203-N205 VanDerWaalsContact C-N 3.25Å; N203-N205 PolarHBondContact O-N 2.93Å; N203-N205 PolarHBondContact OD1-N 3.4Å; N203-S206 VanDerWaalsContact O-CB 3.29Å; N203-S206 WeakPolarHBondContact O-CB 3.4Å; N203-S206 PolarHBondContact O-N 2.67Å; N203-S206 PolarHBondContact O-OG 2.81Å |
| 204 | S | 60.1 | Low | 82.6 | Confident | 114 Ų | 114 | 55.8 Ų | 55.8 | 80% | 0.797 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25.6 | 176.8 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | S206 | S204-S206 PolarHBondContact O-N 2.85Š|
| 205 | N | 61.4 | Low | 82.2 | Confident | 114 Ų | 114 | 52.8 Ų | 52.8 | 61% | 0.61 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 3.4 | 178.3 | -74.5 | -16.3 | 0 | 0 | 0 | 114.5 | N203 I207 A208 T209 | N203-N205 VanDerWaalsContact C-N 3.25Å; N203-N205 PolarHBondContact O-N 2.93Å; N203-N205 PolarHBondContact OD1-N 3.4Å; N205-I207 VanDerWaalsContact C-N 3.33Å; N205-I207 PolarHBondContact O-N 3.49Å; N205-A208 PolarHBondContact O-N 2.93Å; N205-T209 PolarHBondContact O-N 3.09Å; N205-T209 PolarHBondContact O-OG1 2.86Å |
| 206 | S | 74 | Confident | 81.6 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.1 | -37 | -171.4 | -60.3 | 0 | 0 | 0 | 0 | 113.5 | N203 S204 A208 T209 Y210 | N203-S206 VanDerWaalsContact O-CB 3.29Å; N203-S206 WeakPolarHBondContact O-CB 3.4Å; N203-S206 PolarHBondContact O-N 2.67Å; N203-S206 PolarHBondContact O-OG 2.81Å; S204-S206 PolarHBondContact O-N 2.85Å; S206-A208 PolarHBondContact O-N 3.44Å; S206-T209 WeakPolarHBondContact O-CB 3.25Å; S206-T209 PolarHBondContact O-N 2.79Å; S206-Y210 WeakPolarHBondContact O-CD2 3.44Å; S206-Y210 PolarHBondContact O-N 3.43Å |
| 207 | I | 78.8 | Confident | 80.6 | Confident | 52 Ų | 52 | 57 Ų | 57 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | -175.9 | -62 | 177.1 | 0 | 0 | 0 | 111.5 | N205 T209 Y210 T211 | N205-I207 VanDerWaalsContact C-N 3.33Å; N205-I207 PolarHBondContact O-N 3.49Å; I207-T209 VanDerWaalsContact C-N 3.33Å; I207-T209 PolarHBondContact O-N 3.15Å; I207-Y210 PolarHBondContact O-N 3.02Å; I207-T211 WeakPolarHBondContact O-CB 3.41Å; I207-T211 PolarHBondContact O-N 3.2Å; I207-T211 PolarHBondContact O-OG1 2.71Å |
| 208 | A | 81 | Confident | 79.2 | Confident | 63 Ų | 63 | 54.5 Ų | 54.5 | 52% | 0.521 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N205 S206 T211 N212 | N205-A208 PolarHBondContact O-N 2.93Å; S206-A208 PolarHBondContact O-N 3.44Å; A208-T211 PolarHBondContact O-N 3.36Å; A208-N212 PolarHBondContact O-N 2.84Å; A208-N212 VanDerWaalsContact O-N 3.11Å |
| 209 | T | 85.4 | Confident | 77 | Confident | 77 Ų | 77 | 53.3 Ų | 53.3 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 175 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | N205 S206 I207 T211 N212 I213 | N205-T209 PolarHBondContact O-N 3.09Å; N205-T209 PolarHBondContact O-OG1 2.86Å; S206-T209 WeakPolarHBondContact O-CB 3.25Å; S206-T209 PolarHBondContact O-N 2.79Å; I207-T209 VanDerWaalsContact C-N 3.33Å; I207-T209 PolarHBondContact O-N 3.15Å; T209-T211 VanDerWaalsContact C-N 3.34Å; T209-T211 PolarHBondContact O-N 3.39Å; T209-N212 PolarHBondContact O-N 2.5Å; T209-I213 HydrophobicContact CG2-CD1 4.19Å; T209-I213 WeakPolarHBondContact O-CG1 3.37Å; T209-I213 PolarHBondContact O-N 3.31Å |
| 210 | Y | 86.1 | Confident | 74.6 | Confident | 13 Ų | 13 | 59.7 Ų | 59.7 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 179.4 | -56.9 | -33.2 | 0 | 0 | 0 | 112.4 | L67 W70 F201 S206 I207 N212 I213 F214 | L67-Y210 HydrophobicContact CD2-CE2 3.65Å; W70-Y210 HydrophobicContact CB-CD1 3.98Å; W70-Y210 HydrophobicContact CB-CE1 3.63Å; W70-Y210 HydrophobicContact CE3-CD1 4.09Å; W70-Y210 AromaticContact CE3-CD2 3.77Å; W70-Y210 HydrophobicContact CE3-CD2 3.77Å; W70-Y210 HydrophobicContact CE3-CE2 4.23Å; W70-Y210 AromaticContact CE3-CG 3.69Å; W70-Y210 HydrophobicContact CE3-CG 3.69Å; W70-Y210 HydrophobicContact CZ3-CD2 4.3Å; W70-Y210 HydrophobicContact CZ3-CG 4.33Å; F201-Y210 HydrophobicContact CD1-CE2 4.04Å; F201-Y210 HydrophobicContact CE1-CE2 4.08Å; S206-Y210 WeakPolarHBondContact O-CD2 3.44Å; S206-Y210 PolarHBondContact O-N 3.43Å; I207-Y210 PolarHBondContact O-N 3.02Å; Y210-N212 VanDerWaalsContact C-N 3.33Å; Y210-N212 PolarHBondContact O-N 2.71Å; Y210-I213 HydrophobicContact CD1-CD1 4.28Å; Y210-I213 WeakPolarHBondContact O-CB 3.49Å; Y210-I213 PolarHBondContact O-N 3.25Å; Y210-I213 VanDerWaalsContact O-N 3.16Å; Y210-F214 WeakPolarHBondContact O-CD2 3.37Å; Y210-F214 PolarHBondContact O-N 3.29Å |
| 211 | T | 83.8 | Confident | 72.1 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.043 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 172.8 | -59.5 | 0 | 0 | 0 | 0 | 111 | I185 I186 I207 A208 T209 I213 F214 L215 | I185-T211 HydrophobicContact CG2-CG2 4.04Å; I186-T211 HydrophobicContact CD1-CG2 4.18Å; I186-T211 HydrophobicContact CG1-CG2 3.55Å; I186-T211 WeakPolarHBondContact CG1-OG1 3.41Å; I207-T211 WeakPolarHBondContact O-CB 3.41Å; I207-T211 PolarHBondContact O-N 3.2Å; I207-T211 PolarHBondContact O-OG1 2.71Å; A208-T211 PolarHBondContact O-N 3.36Å; T209-T211 VanDerWaalsContact C-N 3.34Å; T209-T211 PolarHBondContact O-N 3.39Å; T211-I213 VanDerWaalsContact C-N 3.29Å; T211-I213 PolarHBondContact O-N 3.25Å; T211-F214 PolarHBondContact O-N 2.87Å; T211-L215 HydrophobicContact CG2-CD1 4.05Å; T211-L215 WeakPolarHBondContact O-CB 3.49Å; T211-L215 WeakPolarHBondContact O-CG 3.49Å; T211-L215 PolarHBondContact O-N 3.23Å |
| 212 | N | 84.2 | Confident | 69.6 | Low | 91 Ų | 91 | 66 Ų | 66 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 176.5 | -78.4 | -27.7 | 0 | 0 | 0 | 112.4 | A208 T209 Y210 L215 N216 | A208-N212 PolarHBondContact O-N 2.84Å; A208-N212 VanDerWaalsContact O-N 3.11Å; T209-N212 PolarHBondContact O-N 2.5Å; Y210-N212 VanDerWaalsContact C-N 3.33Å; Y210-N212 PolarHBondContact O-N 2.71Å; N212-L215 PolarHBondContact O-N 3.14Å; N212-N216 WeakPolarHBondContact O-CB 3.33Å; N212-N216 VanDerWaalsContact O-CG 3.23Å; N212-N216 PolarHBondContact O-N 3.04Å; N212-N216 PolarHBondContact O-ND2 2.92Å |
| 213 | I | 86.2 | Confident | 67.9 | Low | 26 Ų | 26 | 67 Ų | 67 | 13% | 0.133 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.4 | -52.9 | 174.6 | -72.2 | 168.7 | 0 | 0 | 0 | 109.6 | W70 N71 T209 Y210 T211 L215 N216 I217 L242 | W70-I213 VanDerWaalsContact O-CD1 3.23Å; W70-I213 WeakPolarHBondContact O-CD1 3.44Å; N71-I213 HydrophobicContact CB-CD1 4.3Å; T209-I213 HydrophobicContact CG2-CD1 4.19Å; T209-I213 WeakPolarHBondContact O-CG1 3.37Å; T209-I213 PolarHBondContact O-N 3.31Å; Y210-I213 HydrophobicContact CD1-CD1 4.28Å; Y210-I213 WeakPolarHBondContact O-CB 3.49Å; Y210-I213 PolarHBondContact O-N 3.25Å; Y210-I213 VanDerWaalsContact O-N 3.16Å; T211-I213 VanDerWaalsContact C-N 3.29Å; T211-I213 PolarHBondContact O-N 3.25Å; I213-L215 VanDerWaalsContact C-N 3.27Å; I213-L215 PolarHBondContact O-N 3.16Å; I213-N216 PolarHBondContact O-N 3.46Å; I213-N216 VanDerWaalsContact O-N 3.14Å; I213-I217 HydrophobicContact CG2-CD1 3.77Å; I213-I217 HydrophobicContact CG2-CG1 4.44Å; I213-I217 WeakPolarHBondContact O-CD1 3.22Å; I213-I217 WeakPolarHBondContact O-CG1 3.1Å; I213-I217 PolarHBondContact O-N 2.95Å; I213-L242 HydrophobicContact CG2-CD1 3.66Å |
| 214 | F | 84.4 | Confident | 66.1 | Low | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.9 | -37.5 | 177.3 | -92.1 | -105.6 | 0 | 0 | 0 | 113.6 | W70 W173 F177 I185 I189 Y210 T211 Q239 L242 | W70-F214 HydrophobicContact CE3-CE2 4.42Å; W70-F214 HydrophobicContact CH2-CD2 4.5Å; W70-F214 AromaticContact CH2-CE2 3.29Å; W70-F214 HydrophobicContact CH2-CE2 3.29Å; W70-F214 AromaticContact CH2-CZ 3.53Å; W70-F214 HydrophobicContact CH2-CZ 3.53Å; W70-F214 AromaticContact CZ2-CE2 3.48Å; W70-F214 HydrophobicContact CZ2-CE2 3.48Å; W70-F214 VanDerWaalsContact CZ2-CE2 3.48Å; W70-F214 AromaticContact CZ2-CZ 3.59Å; W70-F214 HydrophobicContact CZ2-CZ 3.59Å; W70-F214 AromaticContact CZ3-CE2 3.81Å; W70-F214 HydrophobicContact CZ3-CE2 3.81Å; W70-F214 HydrophobicContact CZ3-CZ 4.45Å; W173-F214 HydrophobicContact CH2-CE1 4.39Å; F177-F214 HydrophobicContact CE1-CD1 4.38Å; I185-F214 HydrophobicContact CG2-CB 3.63Å; I185-F214 HydrophobicContact CG2-CG 4.36Å; I189-F214 HydrophobicContact CD1-CB 4.18Å; I189-F214 HydrophobicContact CD1-CD2 3.71Å; I189-F214 HydrophobicContact CD1-CE2 4.24Å; I189-F214 HydrophobicContact CD1-CG 3.91Å; I189-F214 HydrophobicContact CG1-CD2 4.13Å; I189-F214 HydrophobicContact CG1-CE2 4.22Å; I189-F214 HydrophobicContact CG1-CG 4.27Å; I189-F214 HydrophobicContact CG1-CZ 4.47Å; Y210-F214 WeakPolarHBondContact O-CD2 3.37Å; Y210-F214 PolarHBondContact O-N 3.29Å; T211-F214 PolarHBondContact O-N 2.87Å; F214-Q239 HydrophobicContact CD1-CB 4.01Å; F214-Q239 HydrophobicContact CD1-CG 3.87Å; F214-Q239 HydrophobicContact CE1-CB 4.01Å; F214-Q239 HydrophobicContact CE1-CG 4.38Å; F214-Q239 PolarHBondContact O-NE2 3.23Å; F214-L242 HydrophobicContact CD2-CD1 3.6Å; F214-L242 HydrophobicContact CE2-CB 3.91Å; F214-L242 HydrophobicContact CE2-CD1 3.44Å; F214-L242 VanDerWaalsContact CE2-CD1 3.44Å; F214-L242 HydrophobicContact CE2-CG 4.36Å; F214-L242 HydrophobicContact CG-CD1 4.26Å; F214-L242 HydrophobicContact CZ-CB 3.75Å; F214-L242 HydrophobicContact CZ-CD1 3.98Å |
| 215 | L | 78.8 | Confident | 65 | Low | 41 Ų | 41 | 67.1 Ų | 67.1 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 176.1 | -81.6 | 165.4 | 0 | 0 | 0 | 112.7 | P182 I185 T211 N212 I213 | P182-L215 HydrophobicContact CB-CD1 4.28Å; P182-L215 HydrophobicContact CG-CD1 4.23Å; I185-L215 HydrophobicContact CD1-CD2 3.27Å; I185-L215 HydrophobicContact CD1-CG 3.6Å; T211-L215 HydrophobicContact CG2-CD1 4.05Å; T211-L215 WeakPolarHBondContact O-CB 3.49Å; T211-L215 WeakPolarHBondContact O-CG 3.49Å; T211-L215 PolarHBondContact O-N 3.23Å; N212-L215 PolarHBondContact O-N 3.14Å; I213-L215 VanDerWaalsContact C-N 3.27Å; I213-L215 PolarHBondContact O-N 3.16Å |
| 216 | N | 77.2 | Confident | 63.9 | Low | 112 Ų | 112 | 65.1 Ų | 65.1 | 60% | 0.599 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -84.1 | -12.2 | -169.9 | -72.6 | -30.7 | 0 | 0 | 0 | 114.2 | N212 I213 D218 G219 | N212-N216 WeakPolarHBondContact O-CB 3.33Å; N212-N216 VanDerWaalsContact O-CG 3.23Å; N212-N216 PolarHBondContact O-N 3.04Å; N212-N216 PolarHBondContact O-ND2 2.92Å; I213-N216 PolarHBondContact O-N 3.46Å; I213-N216 VanDerWaalsContact O-N 3.14Å; N216-D218 VanDerWaalsContact C-N 3.29Å; N216-D218 PolarHBondContact O-N 3.45Å; N216-G219 PolarHBondContact O-N 3.06Å |
| 217 | I | 73.3 | Confident | 62.1 | Low | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.036 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -28.8 | -176.3 | -75.2 | 159.9 | 0 | 0 | 0 | 113.2 | R49 I213 G219 N238 L242 | R49-I217 PolarHBondContact NH1-O 3.41Å; I213-I217 HydrophobicContact CG2-CD1 3.77Å; I213-I217 HydrophobicContact CG2-CG1 4.44Å; I213-I217 WeakPolarHBondContact O-CD1 3.22Å; I213-I217 WeakPolarHBondContact O-CG1 3.1Å; I213-I217 PolarHBondContact O-N 2.95Å; I217-G219 VanDerWaalsContact C-N 3.26Å; I217-N238 HydrophobicContact CG2-CB 3.15Å; I217-L242 HydrophobicContact CD1-CD1 3.06Å; I217-L242 HydrophobicContact CD1-CG 3.84Å |
| 218 | D | 61.1 | Low | 60.1 | Low | 59 Ų | 59 | 72.4 Ų | 72.4 | 32% | 0.316 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3.1 | 174 | -66.8 | -27.5 | 0 | 0 | 0 | 112.3 | N216 N220 T236 Q239 | N216-D218 VanDerWaalsContact C-N 3.29Å; N216-D218 PolarHBondContact O-N 3.45Å; D218-N220 VanDerWaalsContact C-N 3.3Å; D218-N220 PolarHBondContact O-N 3.28Å; D218-T236 VanDerWaalsContact OD1-CB 3.31Å; D218-T236 WeakPolarHBondContact OD1-CB 3.27Å; D218-T236 VanDerWaalsContact OD1-CG2 3.27Å; D218-T236 WeakPolarHBondContact OD1-CG2 3.38Å; D218-T236 PolarHBondContact OD1-OG1 3.47Å; D218-T236 WeakPolarHBondContact OD2-CG2 3.31Å; D218-Q239 PolarHBondContact OD2-NE2 3Å |
| 219 | G | 46.3 | Very low | 57.7 | Low | 47 Ų | 47 | 74.7 Ų | 74.7 | 49% | 0.485 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -72.8 | 4 | -160.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | N216 I217 | N216-G219 PolarHBondContact O-N 3.06Å; I217-G219 VanDerWaalsContact C-N 3.26Å |
| 220 | N | 41.1 | Very low | 55.2 | Low | 158 Ų | 158 | 78.5 Ų | 78.5 | 85% | 0.845 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -157.1 | 5.1 | -179.9 | -108.5 | -16.3 | 0 | 0 | 0 | 120.2 | D218 | D218-N220 VanDerWaalsContact C-N 3.3Å; D218-N220 PolarHBondContact O-N 3.28Å |
| 221 | L | 37.2 | Very low | 53.1 | Low | 111 Ų | 111 | 82.3 Ų | 82.3 | 58% | 0.581 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -141.1 | 133.3 | 177.1 | -73.8 | 166.3 | 0 | 0 | 0 | 111.2 | N223 | L221-N223 PolarHBondContact O-N 3.27Š|
| 222 | S | 34.9 | Very low | 51.2 | Low | 121 Ų | 121 | 89 Ų | 89 | 85% | 0.846 | 51% | 0.509 | S | S | * | . | trans | -51 | 72.3 | 168.8 | 46.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 223 | N | 37.4 | Very low | 49.8 | Very low | 93 Ų | 93 | 86 Ų | 86 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | trans | -97.1 | 127.4 | 167.4 | -88.1 | -22.6 | 0 | 0 | 0 | 108.6 | D48 L221 S225 | D48-N223 PolarHBondContact OD2-ND2 3.11Å; L221-N223 PolarHBondContact O-N 3.27Å; N223-S225 PolarHBondContact O-N 3.45Å | ||
| 224 | P | 35.1 | Very low | 48.7 | Very low | 104 Ų | 104 | 90.4 Ų | 90.4 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | trans | -61.6 | 133.4 | 170.3 | 26.8 | -30.2 | 0 | 0 | 0 | 107.5 | V226 | P224-V226 PolarHBondContact O-N 3.29Š| ||
| 225 | S | 37.5 | Very low | 48.2 | Very low | 103 Ų | 103 | 90.7 Ų | 90.7 | 72% | 0.72 | 52% | 0.517 | S | S | * | . | trans | -49.7 | 111.8 | 166.3 | 38.3 | 0 | 0 | 0 | 0 | 107.7 | N223 H227 | N223-S225 PolarHBondContact O-N 3.45Å; S225-H227 VanDerWaalsContact C-N 3.29Å; S225-H227 PolarHBondContact O-N 3.47Å | ||
| 226 | V | 39.1 | Very low | 48.1 | Very low | 71 Ų | 71 | 90 Ų | 90 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | trans | -71.7 | 97 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 105.4 | P224 I228 | P224-V226 PolarHBondContact O-N 3.29Å; V226-I228 VanDerWaalsContact C-N 3.33Å; V226-I228 HydrophobicContact CG1-CG1 4.4Å; V226-I228 PolarHBondContact O-N 3.42Å | ||
| 227 | H | 34.5 | Very low | 48.2 | Very low | 146 Ų | 146 | 88.7 Ų | 88.7 | 68% | 0.676 | 50% | 0.502 | S | S | * | . | trans | -66.1 | 100.1 | 169.7 | -150 | -22.7 | 0 | 0 | 0 | 106.2 | S225 P229 | S225-H227 VanDerWaalsContact C-N 3.29Å; S225-H227 PolarHBondContact O-N 3.47Å; H227-P229 WeakPolarHBondContact O-CD 3.07Å | ||
| 228 | I | 38.1 | Very low | 48.6 | Very low | 70 Ų | 70 | 88.6 Ų | 88.6 | 36% | 0.359 | 50% | 0.502 | S | S | . | . | trans | -68.9 | 111.6 | 174.5 | -56.9 | 172.4 | 0 | 0 | 0 | 105.4 | V226 N230 I235 L240 | V226-I228 VanDerWaalsContact C-N 3.33Å; V226-I228 HydrophobicContact CG1-CG1 4.4Å; V226-I228 PolarHBondContact O-N 3.42Å; I228-N230 VanDerWaalsContact C-N 3.26Å; I228-N230 PolarHBondContact O-N 3.43Å; I228-I235 HydrophobicContact CD1-CG2 4.28Å; I228-L240 HydrophobicContact CD1-CD2 3.78Å | ||
| 229 | P | 29.8 | Very low | 49.6 | Very low | 112 Ų | 112 | 86 Ų | 86 | 73% | 0.727 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 85.7 | -175.7 | 29.2 | -24.5 | 0 | 0 | 0 | 107.4 | H227 | H227-P229 WeakPolarHBondContact O-CD 3.07Š|
| 230 | N | 34.1 | Very low | 51.5 | Low | 157 Ų | 157 | 85.2 Ų | 85.2 | 84% | 0.84 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 177.4 | -2.7 | 146 | -96.7 | -11.3 | 0 | 0 | 0 | 116 | I228 | I228-N230 VanDerWaalsContact C-N 3.26Å; I228-N230 PolarHBondContact O-N 3.43Å |
| 231 | E | 40.2 | Very low | 53.7 | Low | 92 Ų | 92 | 77.7 Ų | 77.7 | 43% | 0.43 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -139.7 | 141.4 | -176.3 | -65.8 | 179.8 | -176.6 | 0 | 0 | 111.2 | Q233 | E231-Q233 PolarHBondContact O-N 3.36Š|
| 232 | N | 45.1 | Very low | 56.2 | Low | 148 Ų | 148 | 72.4 Ų | 72.4 | 79% | 0.791 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -64.1 | 44.8 | -172.2 | -78.9 | -40 | 0 | 0 | 0 | 115.2 | ||
| 233 | Q | 53.7 | Low | 58.9 | Low | 27 Ų | 27 | 66.6 Ų | 66.6 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | trans | -125.2 | 122.9 | -172.5 | -63.7 | -173.4 | -10.6 | 0 | 0 | 112.5 | W173 R174 E231 I235 | W173-Q233 VanDerWaalsContact C-NE2 3.27Å; W173-Q233 PolarHBondContact O-NE2 3.45Å; R174-Q233 VanDerWaalsContact CA-NE2 3.3Å; E231-Q233 PolarHBondContact O-N 3.36Å; Q233-I235 VanDerWaalsContact C-N 3.28Å; Q233-I235 HydrophobicContact CB-CG2 4.45Å; Q233-I235 PolarHBondContact O-N 2.85Å | ||
| 234 | N | 64.8 | Low | 61.5 | Low | 119 Ų | 119 | 62.8 Ų | 62.8 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | trans | -89.5 | 56.3 | 173.3 | -78 | -12.1 | 0 | 0 | 0 | 110.7 | F177 | F177-N234 VanDerWaalsContact CB-O 3.29Å; F177-N234 WeakPolarHBondContact CB-O 3.18Å; F177-N234 WeakPolarHBondContact O-CB 3.27Å | ||
| 235 | I | 73.7 | Confident | 64.3 | Low | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | trans | -96.7 | 139.1 | 177 | -167.3 | 170.4 | 0 | 0 | 0 | 110.6 | W173 F177 I228 Q233 Q239 L240 | W173-I235 HydrophobicContact CE3-CD1 4.42Å; W173-I235 HydrophobicContact CH2-CD1 3.22Å; W173-I235 HydrophobicContact CZ2-CD1 4.21Å; W173-I235 HydrophobicContact CZ3-CD1 3.33Å; F177-I235 HydrophobicContact CD2-CB 4.12Å; F177-I235 HydrophobicContact CD2-CD1 4.28Å; F177-I235 HydrophobicContact CD2-CG1 4.27Å; F177-I235 HydrophobicContact CE2-CD1 4.14Å; I228-I235 HydrophobicContact CD1-CG2 4.28Å; Q233-I235 VanDerWaalsContact C-N 3.28Å; Q233-I235 HydrophobicContact CB-CG2 4.45Å; Q233-I235 PolarHBondContact O-N 2.85Å; I235-Q239 HydrophobicContact CD1-CB 3.85Å; I235-Q239 HydrophobicContact CG1-CB 3.44Å; I235-Q239 VanDerWaalsContact CG1-CB 3.44Å; I235-L240 HydrophobicContact CD1-CB 4.41Å | ||
| 236 | T | 76.4 | Confident | 67.1 | Low | 28 Ų | 28 | 52.9 Ų | 52.9 | 17% | 0.172 | 28% | 0.277 | C | S | . | . | trans | -78.5 | 157.6 | 174.4 | 73.7 | 0 | 0 | 0 | 0 | 111.2 | D218 N238 Q239 L240 | D218-T236 VanDerWaalsContact OD1-CB 3.31Å; D218-T236 WeakPolarHBondContact OD1-CB 3.27Å; D218-T236 VanDerWaalsContact OD1-CG2 3.27Å; D218-T236 WeakPolarHBondContact OD1-CG2 3.38Å; D218-T236 PolarHBondContact OD1-OG1 3.47Å; D218-T236 WeakPolarHBondContact OD2-CG2 3.31Å; T236-N238 PolarHBondContact O-N 2.87Å; T236-Q239 PolarHBondContact O-N 3.35Å; T236-Q239 WeakPolarHBondContact OG1-CG 3.12Å; T236-Q239 PolarHBondContact OG1-N 3.34Å; T236-L240 PolarHBondContact O-N 3.1Å | ||
| 237 | Y | 79.1 | Confident | 69.7 | Low | 84 Ų | 84 | 49.5 Ų | 49.5 | 33% | 0.329 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.7 | -34.7 | 179.1 | -173.3 | -94 | 0 | 0 | 0 | 112.2 | E44 T46 L240 S241 | E44-Y237 PolarHBondContact OE1-OH 2.94Å; T46-Y237 HydrophobicContact CG2-CD1 4.09Å; T46-Y237 HydrophobicContact CG2-CE1 3.57Å; Y237-L240 WeakPolarHBondContact O-CB 3.26Å; Y237-L240 PolarHBondContact O-N 2.95Å; Y237-S241 WeakPolarHBondContact O-CB 3.07Å; Y237-S241 PolarHBondContact O-N 3.44Å |
| 238 | N | 80.6 | Confident | 72.4 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.9 | -35 | -179.8 | -68.5 | -20.7 | 0 | 0 | 0 | 112.3 | D48 I217 T236 S241 L242 | D48-N238 PolarHBondContact OD1-OD1 3.31Å; D48-N238 PolarHBondContact OD2-ND2 3.03Å; I217-N238 HydrophobicContact CG2-CB 3.15Å; T236-N238 PolarHBondContact O-N 2.87Å; N238-S241 WeakPolarHBondContact O-CB 3.23Å; N238-S241 PolarHBondContact O-N 2.8Å; N238-L242 PolarHBondContact O-N 2.85Å |
| 239 | Q | 83.5 | Confident | 75 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 2% | 0.023 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.2 | -41.1 | 169.8 | -71.3 | 169.7 | -18.3 | 0 | 0 | 111.5 | F214 D218 I235 T236 S241 L242 A243 | F214-Q239 HydrophobicContact CD1-CB 4.01Å; F214-Q239 HydrophobicContact CD1-CG 3.87Å; F214-Q239 HydrophobicContact CE1-CB 4.01Å; F214-Q239 HydrophobicContact CE1-CG 4.38Å; F214-Q239 PolarHBondContact O-NE2 3.23Å; D218-Q239 PolarHBondContact OD2-NE2 3Å; I235-Q239 HydrophobicContact CD1-CB 3.85Å; I235-Q239 HydrophobicContact CG1-CB 3.44Å; I235-Q239 VanDerWaalsContact CG1-CB 3.44Å; T236-Q239 PolarHBondContact O-N 3.35Å; T236-Q239 WeakPolarHBondContact OG1-CG 3.12Å; T236-Q239 PolarHBondContact OG1-N 3.34Å; Q239-S241 VanDerWaalsContact C-N 3.27Å; Q239-S241 PolarHBondContact O-N 2.86Å; Q239-L242 WeakPolarHBondContact O-CB 3.45Å; Q239-L242 PolarHBondContact O-N 3.25Å; Q239-A243 PolarHBondContact O-N 3.49Å; Q239-A243 VanDerWaalsContact O-N 3.15Å |
| 240 | L | 85.9 | Confident | 78 | Confident | 29 Ų | 29 | 34.3 Ų | 34.3 | 15% | 0.152 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -39.8 | 172.6 | 178.9 | 66.1 | 0 | 0 | 0 | 111.2 | L170 I228 I235 T236 Y237 L242 A243 N244 | L170-L240 HydrophobicContact CD1-CD1 3.98Å; I228-L240 HydrophobicContact CD1-CD2 3.78Å; I235-L240 HydrophobicContact CD1-CB 4.41Å; T236-L240 PolarHBondContact O-N 3.1Å; Y237-L240 WeakPolarHBondContact O-CB 3.26Å; Y237-L240 PolarHBondContact O-N 2.95Å; L240-L242 VanDerWaalsContact C-N 3.29Å; L240-L242 PolarHBondContact O-N 2.8Å; L240-A243 CarbonylContact O-C 3.6Å; L240-A243 WeakPolarHBondContact O-CB 3.49Å; L240-A243 PolarHBondContact O-N 2.81Å; L240-A243 VanDerWaalsContact O-N 3.08Å; L240-N244 PolarHBondContact O-N 3.29Å; L240-N244 PolarHBondContact O-ND2 3.16Å; L240-N244 PolarHBondContact O-OD1 3.12Å |
| 241 | S | 87.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.2 | -37.7 | 178 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | E44 S51 Y237 N238 Q239 N244 V245 | E44-S241 VanDerWaalsContact CD-OG 3.27Å; E44-S241 WeakPolarHBondContact OE2-CA 3.4Å; E44-S241 VanDerWaalsContact OE2-CB 3.31Å; E44-S241 WeakPolarHBondContact OE2-CB 3.36Å; E44-S241 PolarHBondContact OE2-OG 3.08Å; S51-S241 WeakPolarHBondContact CB-OG 3.41Å; S51-S241 PolarHBondContact OG-OG 3.23Å; S51-S241 VanDerWaalsContact OG-OG 3.08Å; Y237-S241 WeakPolarHBondContact O-CB 3.07Å; Y237-S241 PolarHBondContact O-N 3.44Å; N238-S241 WeakPolarHBondContact O-CB 3.23Å; N238-S241 PolarHBondContact O-N 2.8Å; Q239-S241 VanDerWaalsContact C-N 3.27Å; Q239-S241 PolarHBondContact O-N 2.86Å; S241-N244 PolarHBondContact O-N 3.06Å; S241-V245 PolarHBondContact O-N 3.37Å |
| 242 | L | 90.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 170.1 | -83.6 | -175.5 | 0 | 0 | 0 | 112.5 | W70 N71 I213 F214 I217 N238 Q239 L240 N244 V245 L246 | W70-L242 HydrophobicContact CZ2-CB 3.95Å; W70-L242 WeakPolarHBondContact CZ2-O 3.42Å; W70-L242 PolarHBondContact NE1-O 3.07Å; N71-L242 VanDerWaalsContact O-CD2 3.26Å; N71-L242 WeakPolarHBondContact O-CD2 3.47Å; I213-L242 HydrophobicContact CG2-CD1 3.66Å; F214-L242 HydrophobicContact CD2-CD1 3.6Å; F214-L242 HydrophobicContact CE2-CB 3.91Å; F214-L242 HydrophobicContact CE2-CD1 3.44Å; F214-L242 VanDerWaalsContact CE2-CD1 3.44Å; F214-L242 HydrophobicContact CE2-CG 4.36Å; F214-L242 HydrophobicContact CG-CD1 4.26Å; F214-L242 HydrophobicContact CZ-CB 3.75Å; F214-L242 HydrophobicContact CZ-CD1 3.98Å; I217-L242 HydrophobicContact CD1-CD1 3.06Å; I217-L242 HydrophobicContact CD1-CG 3.84Å; N238-L242 PolarHBondContact O-N 2.85Å; Q239-L242 WeakPolarHBondContact O-CB 3.45Å; Q239-L242 PolarHBondContact O-N 3.25Å; L240-L242 VanDerWaalsContact C-N 3.29Å; L240-L242 PolarHBondContact O-N 2.8Å; L242-N244 VanDerWaalsContact C-N 3.28Å; L242-N244 PolarHBondContact O-N 3.33Å; L242-V245 WeakPolarHBondContact O-CG2 3.21Å; L242-V245 PolarHBondContact O-N 3.14Å; L242-L246 PolarHBondContact O-N 3.4Å |
| 243 | A | 91 | Very high | 85.1 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | L170 W173 L192 Q239 L240 V245 L246 V247 | L170-A243 HydrophobicContact CD2-CB 3.98Å; W173-A243 HydrophobicContact CE3-CB 4.29Å; W173-A243 HydrophobicContact CH2-CB 3.57Å; W173-A243 HydrophobicContact CZ3-CB 3.37Å; L192-A243 HydrophobicContact CD2-CB 3.86Å; Q239-A243 PolarHBondContact O-N 3.49Å; Q239-A243 VanDerWaalsContact O-N 3.15Å; L240-A243 CarbonylContact O-C 3.6Å; L240-A243 WeakPolarHBondContact O-CB 3.49Å; L240-A243 PolarHBondContact O-N 2.81Å; L240-A243 VanDerWaalsContact O-N 3.08Å; A243-V245 PolarHBondContact O-N 3.5Å; A243-L246 PolarHBondContact O-N 2.72Å; A243-V247 WeakPolarHBondContact O-CB 3.4Å; A243-V247 VanDerWaalsContact O-CG2 3.31Å; A243-V247 WeakPolarHBondContact O-CG2 3.48Å; A243-V247 PolarHBondContact O-N 3.35Å |
| 244 | N | 92.3 | Very high | 86.8 | Confident | 12 Ų | 12 | 14.5 Ų | 14.5 | 6% | 0.064 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.3 | -50.1 | 178.6 | -69.4 | -25.3 | 0 | 0 | 0 | 112.1 | E44 V119 R166 L170 L240 S241 L242 L246 V247 D248 | E44-N244 WeakPolarHBondContact OE2-CB 3.43Å; E44-N244 PolarHBondContact OE2-ND2 2.99Å; V119-N244 HydrophobicContact CG1-CB 3.82Å; V119-N244 HydrophobicContact CG2-CB 4.18Å; R166-N244 WeakPolarHBondContact CD-OD1 3.39Å; L170-N244 VanDerWaalsContact CD1-OD1 3.3Å; L170-N244 WeakPolarHBondContact CD1-OD1 3.39Å; L240-N244 PolarHBondContact O-N 3.29Å; L240-N244 PolarHBondContact O-ND2 3.16Å; L240-N244 PolarHBondContact O-OD1 3.12Å; S241-N244 PolarHBondContact O-N 3.06Å; L242-N244 VanDerWaalsContact C-N 3.28Å; L242-N244 PolarHBondContact O-N 3.33Å; N244-L246 VanDerWaalsContact C-N 3.28Å; N244-L246 PolarHBondContact O-N 2.78Å; N244-V247 PolarHBondContact O-N 3.38Å; N244-D248 WeakPolarHBondContact O-CB 3.49Å; N244-D248 PolarHBondContact O-N 3Å |
| 245 | V | 93.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.3 | -35.8 | -177.9 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | T42 E44 A53 V119 S241 L242 A243 G249 | T42-V245 WeakPolarHBondContact CB-O 3.33Å; T42-V245 HydrophobicContact CG2-CB 4.01Å; T42-V245 HydrophobicContact CG2-CG1 4.32Å; T42-V245 VanDerWaalsContact CG2-O 3.26Å; T42-V245 WeakPolarHBondContact CG2-O 3.36Å; E44-V245 HydrophobicContact CB-CG1 3.58Å; A53-V245 HydrophobicContact CB-CB 4.31Å; A53-V245 HydrophobicContact CB-CG2 4.03Å; V119-V245 HydrophobicContact CG2-CB 4.33Å; V119-V245 HydrophobicContact CG2-CG1 3.67Å; S241-V245 PolarHBondContact O-N 3.37Å; L242-V245 WeakPolarHBondContact O-CG2 3.21Å; L242-V245 PolarHBondContact O-N 3.14Å; A243-V245 PolarHBondContact O-N 3.5Å; V245-G249 PolarHBondContact O-N 3.32Å; V245-G249 VanDerWaalsContact O-N 3.09Å |
| 246 | L | 94.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.7 | -48.1 | 176.4 | 179.8 | 61.2 | 0 | 0 | 0 | 111.3 | L55 L67 W70 L192 L193 L196 L199 L242 A243 N244 G249 Y250 | L55-L246 HydrophobicContact CD2-CD1 4.24Å; L67-L246 HydrophobicContact CD1-CD1 3.7Å; L67-L246 HydrophobicContact CD2-CD1 3.92Å; L67-L246 HydrophobicContact CG-CD1 4.38Å; W70-L246 HydrophobicContact CD2-CD2 4.29Å; W70-L246 HydrophobicContact CE3-CD2 4.18Å; W70-L246 HydrophobicContact CH2-CD2 3.68Å; W70-L246 HydrophobicContact CZ2-CB 3.98Å; W70-L246 HydrophobicContact CZ2-CD2 3.78Å; W70-L246 HydrophobicContact CZ3-CD2 3.89Å; L192-L246 HydrophobicContact CD2-CD2 4.3Å; L193-L246 HydrophobicContact CD2-CD2 4.15Å; L196-L246 HydrophobicContact CD1-CD2 3.92Å; L196-L246 HydrophobicContact CD1-CG 3.91Å; L199-L246 HydrophobicContact CD2-CD1 4.05Å; L199-L246 HydrophobicContact CD2-CD2 4.37Å; L242-L246 PolarHBondContact O-N 3.4Å; A243-L246 PolarHBondContact O-N 2.72Å; N244-L246 VanDerWaalsContact C-N 3.28Å; N244-L246 PolarHBondContact O-N 2.78Å; L246-G249 PolarHBondContact O-N 2.82Å; L246-Y250 VanDerWaalsContact O-CB 3.29Å; L246-Y250 WeakPolarHBondContact O-CB 3.33Å; L246-Y250 PolarHBondContact O-N 3.2Å |
| 247 | V | 93.7 | Very high | 88 | Confident | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | -177.8 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | Y165 R166 I169 L170 L192 A243 N244 G251 | Y165-V247 HydrophobicContact CE1-CG1 4.17Å; R166-V247 HydrophobicContact CB-CG1 4.2Å; R166-V247 HydrophobicContact CG-CB 4.36Å; R166-V247 HydrophobicContact CG-CG1 3.9Å; I169-V247 HydrophobicContact CB-CG1 3.86Å; I169-V247 HydrophobicContact CG1-CG1 4.2Å; I169-V247 HydrophobicContact CG2-CG1 3.91Å; I169-V247 HydrophobicContact CG2-CG2 3.89Å; L170-V247 HydrophobicContact CD2-CG2 3.82Å; L170-V247 HydrophobicContact CG-CG2 4.4Å; L192-V247 HydrophobicContact CD1-CG2 4.16Å; A243-V247 WeakPolarHBondContact O-CB 3.4Å; A243-V247 VanDerWaalsContact O-CG2 3.31Å; A243-V247 WeakPolarHBondContact O-CG2 3.48Å; A243-V247 PolarHBondContact O-N 3.35Å; N244-V247 PolarHBondContact O-N 3.38Å; V247-G251 PolarHBondContact O-N 2.75Å |
| 248 | D | 92.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -67.8 | -42.6 | 177.5 | -86 | 16.9 | 0 | 0 | 0 | 111.2 | T42 V117 V119 M161 R166 N244 G251 F252 | T42-D248 HydrophobicContact CG2-CB 3.76Å; V117-D248 HydrophobicContact CG1-CB 4.48Å; V119-D248 WeakPolarHBondContact CA-OD2 3.47Å; V119-D248 HydrophobicContact CG2-CB 4.27Å; M161-D248 HydrophobicContact CB-CB 4.02Å; M161-D248 HydrophobicContact CG-CB 4.14Å; M161-D248 WeakPolarHBondContact CG-O 3.31Å; R166-D248 WeakPolarHBondContact CB-OD1 3.3Å; R166-D248 VanDerWaalsContact CD-OD1 3.26Å; R166-D248 WeakPolarHBondContact CD-OD1 3.44Å; R166-D248 IonicContact CZ-OD1 3.76Å; R166-D248 IonicContact CZ-OD2 3.87Å; R166-D248 IonicContact NE-OD1 3.92Å; R166-D248 IonicContact NH1-OD1 2.85Å; R166-D248 PolarHBondContact NH1-OD1 3.25Å; R166-D248 IonicContact NH1-OD2 2.8Å; R166-D248 PolarHBondContact NH1-OD2 2.86Å; N244-D248 WeakPolarHBondContact O-CB 3.49Å; N244-D248 PolarHBondContact O-N 3Å; D248-G251 PolarHBondContact O-N 2.88Å; D248-F252 WeakPolarHBondContact O-CB 3.5Å; D248-F252 PolarHBondContact O-N 3.18Å |
| 249 | G | 92.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T42 V245 L246 F252 L253 | T42-G249 WeakPolarHBondContact OG1-CA 3.27Å; T42-G249 PolarHBondContact OG1-N 2.73Å; V245-G249 PolarHBondContact O-N 3.32Å; V245-G249 VanDerWaalsContact O-N 3.09Å; L246-G249 PolarHBondContact O-N 2.82Å; G249-F252 PolarHBondContact O-N 2.81Å; G249-L253 PolarHBondContact O-N 2.83Å; G249-L253 VanDerWaalsContact O-N 3.09Å |
| 250 | Y | 93.2 | Very high | 86.4 | Confident | 9 Ų | 9 | 16.8 Ų | 16.8 | 4% | 0.035 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 172.4 | 175.8 | -92.2 | 0 | 0 | 0 | 111.3 | L196 K198 L199 L246 F252 L253 V254 | L196-Y250 HydrophobicContact CB-CD2 4.12Å; L196-Y250 HydrophobicContact CB-CE1 4.43Å; L196-Y250 HydrophobicContact CB-CE2 3.99Å; L196-Y250 HydrophobicContact CB-CG 4.38Å; L196-Y250 HydrophobicContact CD2-CD1 3.56Å; L196-Y250 HydrophobicContact CD2-CD2 4.48Å; L196-Y250 HydrophobicContact CD2-CE1 3.87Å; L196-Y250 HydrophobicContact CD2-CG 3.89Å; L196-Y250 HydrophobicContact CG-CG 4.49Å; K198-Y250 HydrophobicContact CB-CE2 3.95Å; K198-Y250 WeakPolarHBondContact CB-OH 3.12Å; K198-Y250 PolarHBondContact N-OH 3.11Å; L199-Y250 HydrophobicContact CB-CD2 4.2Å; L199-Y250 HydrophobicContact CB-CE2 4.17Å; L199-Y250 HydrophobicContact CD1-CD2 4.14Å; L246-Y250 VanDerWaalsContact O-CB 3.29Å; L246-Y250 WeakPolarHBondContact O-CB 3.33Å; L246-Y250 PolarHBondContact O-N 3.2Å; Y250-F252 VanDerWaalsContact C-N 3.3Å; Y250-F252 PolarHBondContact O-N 3.06Å; Y250-L253 PolarHBondContact O-N 3.33Å; Y250-V254 HydrophobicContact CD1-CB 4.44Å; Y250-V254 HydrophobicContact CD1-CG2 4.3Å; Y250-V254 HydrophobicContact CD2-CG2 3.82Å; Y250-V254 HydrophobicContact CE1-CB 4.1Å; Y250-V254 HydrophobicContact CE1-CG1 4.29Å; Y250-V254 HydrophobicContact CE1-CG2 3.98Å; Y250-V254 HydrophobicContact CE2-CB 4.45Å; Y250-V254 HydrophobicContact CE2-CG2 3.47Å; Y250-V254 VanDerWaalsContact CE2-CG2 3.47Å; Y250-V254 HydrophobicContact CG-CG2 4.24Å; Y250-V254 VanDerWaalsContact O-CB 3.31Å; Y250-V254 WeakPolarHBondContact O-CB 3.42Å; Y250-V254 WeakPolarHBondContact O-CG2 3.36Å; Y250-V254 PolarHBondContact O-N 3.04Å |
| 251 | G | 90.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V247 D248 H255 G256 | V247-G251 PolarHBondContact O-N 2.75Å; D248-G251 PolarHBondContact O-N 2.88Å; G251-H255 WeakPolarHBondContact O-CA 3.43Å; G251-H255 WeakPolarHBondContact O-CB 3.22Å; G251-H255 PolarHBondContact O-N 2.92Å; G251-G256 PolarHBondContact O-N 3.41Å |
| 252 | F | 89.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -59.7 | -52.8 | 175 | 172.6 | -97.5 | 0 | 0 | 0 | 111.3 | I37 C40 A115 V117 F159 M161 D248 G249 Y250 G256 I257 L265 | I37-F252 HydrophobicContact CG2-CE1 3.96Å; I37-F252 HydrophobicContact CG2-CZ 4.12Å; C40-F252 HydrophobicContact CB-CD1 3.69Å; C40-F252 HydrophobicContact CB-CE1 3.79Å; A115-F252 HydrophobicContact CB-CE1 4Å; A115-F252 HydrophobicContact CB-CZ 3.84Å; V117-F252 HydrophobicContact CG2-CB 3.96Å; V117-F252 HydrophobicContact CG2-CD1 3.85Å; V117-F252 HydrophobicContact CG2-CD2 3.87Å; V117-F252 HydrophobicContact CG2-CE1 4.35Å; V117-F252 HydrophobicContact CG2-CE2 4.39Å; V117-F252 HydrophobicContact CG2-CG 3.59Å; F159-F252 HydrophobicContact CB-CD2 4.08Å; F159-F252 HydrophobicContact CB-CE2 3.88Å; F159-F252 AromaticContact CD1-CE2 3.92Å; F159-F252 HydrophobicContact CD1-CE2 3.92Å; F159-F252 HydrophobicContact CD2-CD2 4.38Å; F159-F252 AromaticContact CD2-CE2 3.42Å; F159-F252 HydrophobicContact CD2-CE2 3.42Å; F159-F252 VanDerWaalsContact CD2-CE2 3.42Å; F159-F252 AromaticContact CD2-CZ 3.72Å; F159-F252 HydrophobicContact CD2-CZ 3.72Å; F159-F252 HydrophobicContact CE1-CE2 4.24Å; F159-F252 AromaticContact CE2-CE2 3.78Å; F159-F252 HydrophobicContact CE2-CE2 3.78Å; F159-F252 AromaticContact CE2-CZ 3.75Å; F159-F252 HydrophobicContact CE2-CZ 3.75Å; F159-F252 HydrophobicContact CG-CD2 4.18Å; F159-F252 AromaticContact CG-CE2 3.47Å; F159-F252 HydrophobicContact CG-CE2 3.47Å; F159-F252 VanDerWaalsContact CG-CE2 3.47Å; F159-F252 HydrophobicContact CG-CZ 4.24Å; F159-F252 HydrophobicContact CZ-CE2 4.16Å; F159-F252 HydrophobicContact CZ-CZ 4.31Å; M161-F252 HydrophobicContact CG-CB 4.14Å; M161-F252 HydrophobicContact SD-CB 4.07Å; M161-F252 PolarHBondContact SD-N 2.74Å; D248-F252 WeakPolarHBondContact O-CB 3.5Å; D248-F252 PolarHBondContact O-N 3.18Å; G249-F252 PolarHBondContact O-N 2.81Å; Y250-F252 VanDerWaalsContact C-N 3.3Å; Y250-F252 PolarHBondContact O-N 3.06Å; F252-G256 CarbonylContact O-C 3.6Å; F252-G256 WeakPolarHBondContact O-CA 3.42Å; F252-G256 PolarHBondContact O-N 3.02Å; F252-I257 HydrophobicContact CD1-CG1 4.29Å; F252-I257 HydrophobicContact CE1-CD1 4.12Å; F252-I257 HydrophobicContact CE1-CG1 3.77Å; F252-I257 HydrophobicContact CE2-CD1 4.31Å; F252-I257 HydrophobicContact CZ-CD1 3.75Å; F252-I257 HydrophobicContact CZ-CG1 3.93Å; F252-I257 PolarHBondContact O-N 3.34Å; F252-L265 HydrophobicContact CD2-CD1 4.2Å; F252-L265 HydrophobicContact CD2-CD2 3.59Å; F252-L265 HydrophobicContact CE2-CD1 4.14Å; F252-L265 HydrophobicContact CE2-CD2 4.14Å |
| 253 | L | 87.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -70.6 | -46.3 | -178.6 | -69.2 | 177.2 | 0 | 0 | 0 | 112 | C40 L55 L57 V65 G249 Y250 I257 M258 | C40-L253 HydrophobicContact CB-CD2 4.48Å; L55-L253 HydrophobicContact CB-CD1 3.51Å; L57-L253 HydrophobicContact CD2-CB 4.22Å; L57-L253 HydrophobicContact CD2-CD2 4.29Å; L57-L253 HydrophobicContact CG-CD2 4.5Å; V65-L253 HydrophobicContact CG1-CB 4.16Å; V65-L253 HydrophobicContact CG1-CD1 3.44Å; V65-L253 VanDerWaalsContact CG1-CD1 3.44Å; V65-L253 HydrophobicContact CG1-CG 4.44Å; V65-L253 HydrophobicContact CG2-CB 4.13Å; G249-L253 PolarHBondContact O-N 2.83Å; G249-L253 VanDerWaalsContact O-N 3.09Å; Y250-L253 PolarHBondContact O-N 3.33Å; L253-I257 HydrophobicContact CD2-CG1 4.13Å; L253-I257 WeakPolarHBondContact O-CB 3.17Å; L253-I257 PolarHBondContact O-N 2.99Å; L253-M258 WeakPolarHBondContact O-CB 3.27Å; L253-M258 VanDerWaalsContact O-CG 3.29Å; L253-M258 WeakPolarHBondContact O-CG 3.17Å; L253-M258 PolarHBondContact O-N 3.29Å |
| 254 | V | 88.1 | Confident | 78.7 | Confident | 8 Ų | 8 | 29.8 Ų | 29.8 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -75.9 | -46.5 | -174.2 | 172.6 | 0 | 0 | 0 | 0 | 113.2 | V65 K198 Y250 M258 G259 | V65-V254 HydrophobicContact CG2-CG2 3.51Å; K198-V254 HydrophobicContact CB-CG2 4.23Å; K198-V254 HydrophobicContact CD-CG1 3.78Å; K198-V254 HydrophobicContact CD-CG2 4.15Å; Y250-V254 HydrophobicContact CD1-CB 4.44Å; Y250-V254 HydrophobicContact CD1-CG2 4.3Å; Y250-V254 HydrophobicContact CD2-CG2 3.82Å; Y250-V254 HydrophobicContact CE1-CB 4.1Å; Y250-V254 HydrophobicContact CE1-CG1 4.29Å; Y250-V254 HydrophobicContact CE1-CG2 3.98Å; Y250-V254 HydrophobicContact CE2-CB 4.45Å; Y250-V254 HydrophobicContact CE2-CG2 3.47Å; Y250-V254 VanDerWaalsContact CE2-CG2 3.47Å; Y250-V254 HydrophobicContact CG-CG2 4.24Å; Y250-V254 VanDerWaalsContact O-CB 3.31Å; Y250-V254 WeakPolarHBondContact O-CB 3.42Å; Y250-V254 WeakPolarHBondContact O-CG2 3.36Å; Y250-V254 PolarHBondContact O-N 3.04Å; V254-M258 HydrophobicContact CB-SD 4.43Å; V254-M258 HydrophobicContact CG2-SD 3.95Å; V254-G259 WeakPolarHBondContact O-CA 3.45Å; V254-G259 PolarHBondContact O-N 3.18Å |
| 255 | H | 82.4 | Confident | 76.5 | Confident | 62 Ų | 62 | 29.6 Ų | 29.6 | 29% | 0.287 | 17% | 0.173 | S | C | . | . | I | π-helix | trans | -92.4 | -41.2 | -177.5 | -67.6 | -62.5 | 0 | 0 | 0 | 112.3 | Y165 G251 G259 K261 | Y165-H255 AromaticContact CE2-CD2 3.19Å; Y165-H255 WeakPolarHBondContact CE2-CD2 3.1Å; Y165-H255 AromaticContact CE2-NE2 3.22Å; Y165-H255 WeakPolarHBondContact CE2-NE2 3.28Å; Y165-H255 AromaticContact CZ-CD2 3.33Å; Y165-H255 AromaticContact CZ-NE2 3.55Å; Y165-H255 PolarHBondContact OH-CD2 3.15Å; Y165-H255 VanDerWaalsContact OH-CD2 3.25Å; Y165-H255 PolarHBondContact OH-NE2 3.24Å; G251-H255 WeakPolarHBondContact O-CA 3.43Å; G251-H255 WeakPolarHBondContact O-CB 3.22Å; G251-H255 PolarHBondContact O-N 2.92Å; H255-G259 CarbonylContact O-C 3.51Å; H255-G259 WeakPolarHBondContact O-CA 3.27Å; H255-K261 WeakPolarHBondContact O-CB 3.48Å; H255-K261 PolarHBondContact O-N 3.26Å |
| 256 | G | 77.9 | Confident | 74.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -69.6 | -65.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G251 F252 N260 K261 | G251-G256 PolarHBondContact O-N 3.41Å; F252-G256 CarbonylContact O-C 3.6Å; F252-G256 WeakPolarHBondContact O-CA 3.42Å; F252-G256 PolarHBondContact O-N 3.02Å; G256-N260 CarbonylContact O-C 3.57Å; G256-N260 VanDerWaalsContact O-CA 3.3Å; G256-N260 WeakPolarHBondContact O-CA 3.32Å; G256-N260 PolarHBondContact O-N 3.04Å; G256-K261 PolarHBondContact O-N 2.84Å |
| 257 | I | 79.9 | Confident | 71.6 | Confident | 28 Ų | 28 | 39.3 Ų | 39.3 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -77.8 | -66.4 | -172.9 | -54.5 | -55.9 | 0 | 0 | 0 | 111.7 | I37 L57 F252 L253 G259 N260 F262 | I37-I257 HydrophobicContact CB-CD1 4.31Å; I37-I257 HydrophobicContact CG2-CD1 4.39Å; L57-I257 HydrophobicContact CD1-CG2 4.14Å; F252-I257 HydrophobicContact CD1-CG1 4.29Å; F252-I257 HydrophobicContact CE1-CD1 4.12Å; F252-I257 HydrophobicContact CE1-CG1 3.77Å; F252-I257 HydrophobicContact CE2-CD1 4.31Å; F252-I257 HydrophobicContact CZ-CD1 3.75Å; F252-I257 HydrophobicContact CZ-CG1 3.93Å; F252-I257 PolarHBondContact O-N 3.34Å; L253-I257 HydrophobicContact CD2-CG1 4.13Å; L253-I257 WeakPolarHBondContact O-CB 3.17Å; L253-I257 PolarHBondContact O-N 2.99Å; I257-G259 PolarHBondContact O-N 3.38Å; I257-N260 PolarHBondContact O-N 3.13Å; I257-F262 HydrophobicContact CD1-CE1 3.95Å; I257-F262 HydrophobicContact CD1-CZ 3.99Å |
| 258 | M | 76 | Confident | 69 | Low | 47 Ų | 47 | 40 Ų | 40 | 23% | 0.232 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -65.2 | -41 | -176.7 | -60.6 | 163.7 | 77.9 | 0 | 0 | 112.2 | L57 K62 N63 V65 K198 L253 V254 N260 | L57-M258 HydrophobicContact CD2-CG 3.52Å; L57-M258 HydrophobicContact CD2-SD 3.73Å; K62-M258 WeakPolarHBondContact O-CE 3.29Å; N63-M258 WeakPolarHBondContact O-CE 3.49Å; V65-M258 HydrophobicContact CG2-SD 3.58Å; V65-M258 VanDerWaalsContact CG2-SD 3.58Å; K198-M258 HydrophobicContact CD-CE 4.27Å; L253-M258 WeakPolarHBondContact O-CB 3.27Å; L253-M258 VanDerWaalsContact O-CG 3.29Å; L253-M258 WeakPolarHBondContact O-CG 3.17Å; L253-M258 PolarHBondContact O-N 3.29Å; V254-M258 HydrophobicContact CB-SD 4.43Å; V254-M258 HydrophobicContact CG2-SD 3.95Å; M258-N260 PolarHBondContact O-N 3.21Å |
| 259 | G | 68 | Low | 66 | Low | 38 Ų | 38 | 45.2 Ų | 45.2 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V254 H255 I257 K261 | V254-G259 WeakPolarHBondContact O-CA 3.45Å; V254-G259 PolarHBondContact O-N 3.18Å; H255-G259 CarbonylContact O-C 3.51Å; H255-G259 WeakPolarHBondContact O-CA 3.27Å; I257-G259 PolarHBondContact O-N 3.38Å; G259-K261 WeakPolarHBondContact O-CG 3.09Å; G259-K261 PolarHBondContact O-N 2.73Å |
| 260 | N | 66.6 | Low | 63.2 | Low | 120 Ų | 120 | 47.4 Ų | 47.4 | 64% | 0.642 | 26% | 0.263 | S | S | * | . | trans | 54.4 | 21 | -176 | -135.6 | -2 | 0 | 0 | 0 | 113.2 | G256 I257 M258 F262 | G256-N260 CarbonylContact O-C 3.57Å; G256-N260 VanDerWaalsContact O-CA 3.3Å; G256-N260 WeakPolarHBondContact O-CA 3.32Å; G256-N260 PolarHBondContact O-N 3.04Å; I257-N260 PolarHBondContact O-N 3.13Å; M258-N260 PolarHBondContact O-N 3.21Å; N260-F262 VanDerWaalsContact C-N 3.35Å; N260-F262 PolarHBondContact O-N 3.27Å; N260-F262 WeakPolarHBondContact OD1-CE2 3.48Å | ||
| 261 | K | 58.5 | Low | 59.9 | Low | 134 Ų | 134 | 52.1 Ų | 52.1 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | trans | -93.8 | 66.5 | -178.8 | -66.1 | -175 | 179.7 | -179.2 | 0 | 109.9 | H255 G256 G259 A263 S264 | H255-K261 WeakPolarHBondContact O-CB 3.48Å; H255-K261 PolarHBondContact O-N 3.26Å; G256-K261 PolarHBondContact O-N 2.84Å; G259-K261 WeakPolarHBondContact O-CG 3.09Å; G259-K261 PolarHBondContact O-N 2.73Å; K261-A263 PolarHBondContact O-N 2.99Å; K261-A263 VanDerWaalsContact O-N 3.17Å; K261-S264 WeakPolarHBondContact CB-OG 3.3Å; K261-S264 WeakPolarHBondContact O-CB 3.23Å; K261-S264 PolarHBondContact O-N 3.09Å; K261-S264 PolarHBondContact O-OG 3.49Å | ||
| 262 | F | 53.9 | Low | 57.1 | Low | 28 Ų | 28 | 60.4 Ų | 60.4 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -64.6 | -15.4 | 175.7 | -69.8 | -80.6 | 0 | 0 | 0 | 113.8 | R34 I257 N260 S264 L265 | R34-F262 HydrophobicContact CG-CE1 4.47Å; R34-F262 HydrophobicContact CG-CE2 4.26Å; R34-F262 HydrophobicContact CG-CZ 4.11Å; I257-F262 HydrophobicContact CD1-CE1 3.95Å; I257-F262 HydrophobicContact CD1-CZ 3.99Å; N260-F262 VanDerWaalsContact C-N 3.35Å; N260-F262 PolarHBondContact O-N 3.27Å; N260-F262 WeakPolarHBondContact OD1-CE2 3.48Å; F262-S264 PolarHBondContact O-N 3.13Å; F262-L265 HydrophobicContact CD1-CD1 3.4Å; F262-L265 VanDerWaalsContact CD1-CD1 3.4Å; F262-L265 HydrophobicContact CE1-CD1 3.84Å; F262-L265 HydrophobicContact CG-CD1 4.33Å; F262-L265 WeakPolarHBondContact O-CA 3.43Å; F262-L265 WeakPolarHBondContact O-CB 3.46Å; F262-L265 PolarHBondContact O-N 3.33Å |
| 263 | A | 40 | Very low | 54.1 | Low | 108 Ų | 108 | 65.4 Ų | 65.4 | 89% | 0.893 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -63.2 | -20.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K261 L265 | K261-A263 PolarHBondContact O-N 2.99Å; K261-A263 VanDerWaalsContact O-N 3.17Å; A263-L265 VanDerWaalsContact C-N 3.28Å |
| 264 | S | 40.3 | Very low | 51.4 | Low | 32 Ų | 32 | 74.3 Ų | 74.3 | 22% | 0.224 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -79.4 | -12.4 | 172 | -8.6 | 0 | 0 | 0 | 0 | 113.2 | K261 F262 | K261-S264 WeakPolarHBondContact CB-OG 3.3Å; K261-S264 WeakPolarHBondContact O-CB 3.23Å; K261-S264 PolarHBondContact O-N 3.09Å; K261-S264 PolarHBondContact O-OG 3.49Å; F262-S264 PolarHBondContact O-N 3.13Å |
| 265 | L | 46.1 | Very low | 49.6 | Very low | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.037 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -99.9 | 112.5 | 178.7 | -67.5 | 166.5 | 0 | 0 | 0 | 107.4 | F159 M161 F252 F262 A263 L267 | F159-L265 HydrophobicContact CB-CD2 4.49Å; M161-L265 HydrophobicContact SD-CD2 3.47Å; M161-L265 WeakPolarHBondContact SD-CD2 3.21Å; M161-L265 HydrophobicContact SD-CG 4.45Å; F252-L265 HydrophobicContact CD2-CD1 4.2Å; F252-L265 HydrophobicContact CD2-CD2 3.59Å; F252-L265 HydrophobicContact CE2-CD1 4.14Å; F252-L265 HydrophobicContact CE2-CD2 4.14Å; F262-L265 HydrophobicContact CD1-CD1 3.4Å; F262-L265 VanDerWaalsContact CD1-CD1 3.4Å; F262-L265 HydrophobicContact CE1-CD1 3.84Å; F262-L265 HydrophobicContact CG-CD1 4.33Å; F262-L265 WeakPolarHBondContact O-CA 3.43Å; F262-L265 WeakPolarHBondContact O-CB 3.46Å; F262-L265 PolarHBondContact O-N 3.33Å; A263-L265 VanDerWaalsContact C-N 3.28Å; L265-L267 PolarHBondContact O-N 3.33Å |
| 266 | E | 43.6 | Very low | 47.9 | Very low | 129 Ų | 129 | 78.5 Ų | 78.5 | 60% | 0.603 | 45% | 0.454 | S | S | * | . | trans | -67 | 105.1 | 172.7 | -102.8 | -174.5 | 163.3 | 0 | 0 | 108.8 | L268 | E266-L268 PolarHBondContact O-N 3.05Š| ||
| 267 | L | 41.8 | Very low | 46.2 | Very low | 75 Ų | 75 | 82.8 Ų | 82.8 | 39% | 0.393 | 48% | 0.48 | S | S | . | . | trans | -77.5 | 109 | 177.4 | -150.7 | 108.5 | 0 | 0 | 0 | 108.5 | L29 L265 Q269 | L29-L267 HydrophobicContact CB-CD1 4.42Å; L29-L267 HydrophobicContact CD1-CD1 3.79Å; L29-L267 HydrophobicContact CD1-CG 4.03Å; L265-L267 PolarHBondContact O-N 3.33Å; L267-Q269 VanDerWaalsContact C-N 3.32Å; L267-Q269 HydrophobicContact CD2-CG 3.84Å; L267-Q269 PolarHBondContact O-N 3.48Å | ||
| 268 | L | 39.8 | Very low | 44.2 | Very low | 15 Ų | 15 | 86.1 Ų | 86.1 | 8% | 0.079 | 50% | 0.499 | C | S | . | . | trans | -83.3 | 72.5 | -177.3 | -71.6 | 160.9 | 0 | 0 | 0 | 110.7 | S22 I25 R26 E266 | S22-L268 WeakPolarHBondContact O-CD1 3.44Å; S22-L268 WeakPolarHBondContact O-CD2 3.36Å; I25-L268 WeakPolarHBondContact O-CD1 3.39Å; R26-L268 HydrophobicContact CB-CB 3.95Å; R26-L268 HydrophobicContact CG-CB 3.63Å; R26-L268 HydrophobicContact CG-CD1 4.31Å; R26-L268 HydrophobicContact CG-CD2 4.02Å; R26-L268 HydrophobicContact CG-CG 4.19Å; E266-L268 PolarHBondContact O-N 3.05Å | ||
| 269 | Q | 30.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 88.5 Ų | 88.5 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | trans | -87.8 | 139.2 | 170.4 | -90.1 | -176.8 | -7.6 | 0 | 0 | 111.5 | R26 L267 | R26-Q269 PolarHBondContact NH1-O 3.29Å; L267-Q269 VanDerWaalsContact C-N 3.32Å; L267-Q269 HydrophobicContact CD2-CG 3.84Å; L267-Q269 PolarHBondContact O-N 3.48Å | ||
| 270 | P | 32.1 | Very low | 40.5 | Very low | 46 Ų | 46 | 91.9 Ų | 91.9 | 30% | 0.299 | 52% | 0.524 | S | S | . | . | trans | -77.1 | 129.7 | 168.7 | 29.9 | -28.8 | 0 | 0 | 0 | 109.8 | Y272 | P270-Y272 HydrophobicContact CB-CD2 3.86Å; P270-Y272 HydrophobicContact CB-CE2 3.63Å; P270-Y272 HydrophobicContact CG-CD2 3.68Å; P270-Y272 HydrophobicContact CG-CE2 3.3Å; P270-Y272 PolarHBondContact O-N 3.37Å; P270-Y272 VanDerWaalsContact O-N 3.15Å | ||
| 271 | S | 25.2 | Very low | 38.7 | Very low | 107 Ų | 107 | 89.9 Ų | 89.9 | 75% | 0.748 | 52% | 0.516 | S | S | * | . | trans | -74.3 | 94.4 | 157.9 | 52 | 0 | 0 | 0 | 0 | 107.7 | S273 | S271-S273 PolarHBondContact O-N 3.3Š| ||
| 272 | Y | 30.5 | Very low | 37.1 | Very low | 174 Ų | 174 | 86.5 Ų | 86.5 | 68% | 0.682 | 51% | 0.511 | S | S | * | . | trans | -79.9 | 98.9 | 161.5 | -73 | -76.8 | 0 | 0 | 0 | 107.1 | P270 S274 | P270-Y272 HydrophobicContact CB-CD2 3.86Å; P270-Y272 HydrophobicContact CB-CE2 3.63Å; P270-Y272 HydrophobicContact CG-CD2 3.68Å; P270-Y272 HydrophobicContact CG-CE2 3.3Å; P270-Y272 PolarHBondContact O-N 3.37Å; P270-Y272 VanDerWaalsContact O-N 3.15Å; Y272-S274 PolarHBondContact O-N 3Å | ||
| 273 | S | 26.5 | Very low | 35.7 | Very low | 105 Ų | 105 | 91.3 Ų | 91.3 | 73% | 0.734 | 54% | 0.543 | S | S | * | . | trans | -67.1 | 118.1 | 153.4 | 52 | 0 | 0 | 0 | 0 | 106.2 | S271 | S271-S273 PolarHBondContact O-N 3.3Š| ||
| 274 | S | 32.7 | Very low | 35.4 | Very low | 188 Ų | 188 | 89.8 Ų | 89.8 | 100% | 1.315 | 51% | 0.512 | S | S | * | . | trans | -51.1 | 0 | 168.8 | 50.1 | 0 | 0 | 0 | 0 | 112 | Y272 | Y272-S274 PolarHBondContact O-N 3Š|
Retrieved 274 of 274 residues in 452 ms
(Link to these results)