| 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 | 37.7 | Very low | 60.3 | Low | 188 Ų | 188 | 96.8 Ų | 96.8 | 93% | 0.926 | 49% | 0.488 | S | S | * | . | 0 | -55 | 0 | -66 | -164 | 84.4 | 0 | 0 | 114.9 | E4 | M1-E4 WeakPolarHBondContact CA-OE2 3.31Å; M1-E4 PolarHBondContact N-OE2 2.91Å | |||
| 2 | S | 50 | Low | 62.8 | Low | 81 Ų | 81 | 95.8 Ų | 95.8 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | trans | -71.9 | -41.1 | -180 | 42.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3 | D | 49.3 | Very low | 65 | Low | 101 Ų | 101 | 89.9 Ų | 89.9 | 54% | 0.54 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -78.2 | -33.7 | -173.3 | -59.7 | -54.4 | 0 | 0 | 0 | 113.3 | R5 R6 L7 | D3-R5 PolarHBondContact O-N 3.47Å; D3-R6 WeakPolarHBondContact O-CB 3.37Å; D3-R6 PolarHBondContact O-N 2.84Å; D3-L7 PolarHBondContact O-N 2.99Å |
| 4 | E | 48.2 | Very low | 67.1 | Low | 134 Ų | 134 | 83.6 Ų | 83.6 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.6 | -23.2 | 174.5 | -67.2 | 161.3 | 111.7 | 0 | 0 | 113.2 | M1 P8 | M1-E4 WeakPolarHBondContact CA-OE2 3.31Å; M1-E4 PolarHBondContact N-OE2 2.91Å; E4-P8 WeakPolarHBondContact O-CD 3.5Å; E4-P8 WeakPolarHBondContact O-CG 3.23Å |
| 5 | R | 49.6 | Very low | 68.9 | Low | 210 Ų | 210 | 82.3 Ų | 82.3 | 79% | 0.792 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -85.4 | -23.3 | 171.1 | -72 | -172.1 | 178.1 | -173.2 | 0.5 | 113.4 | D3 | D3-R5 PolarHBondContact O-N 3.47Å |
| 6 | R | 58 | Low | 70.6 | Confident | 176 Ų | 176 | 81.2 Ų | 81.2 | 66% | 0.664 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -74 | -34.2 | 176.6 | -68 | -179.3 | -177.8 | -131.1 | 3.6 | 112.4 | D3 S10 | D3-R6 WeakPolarHBondContact O-CB 3.37Å; D3-R6 PolarHBondContact O-N 2.84Å; R6-S10 WeakPolarHBondContact O-CB 3.48Å; R6-S10 PolarHBondContact O-N 3.49Å; R6-S10 PolarHBondContact O-OG 2.98Å |
| 7 | L | 59.9 | Low | 72 | Confident | 66 Ų | 66 | 78.8 Ų | 78.8 | 35% | 0.346 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.7 | -50.7 | -179.3 | -77.1 | 149.5 | 0 | 0 | 0 | 113.1 | D3 G9 S10 A11 | D3-L7 PolarHBondContact O-N 2.99Å; L7-G9 PolarHBondContact O-N 2.84Å; L7-S10 PolarHBondContact O-N 3.03Å; L7-A11 PolarHBondContact O-N 3.21Å; L7-A11 VanDerWaalsContact O-N 3.07Å |
| 8 | P | 63.3 | Low | 73.3 | Confident | 38 Ų | 38 | 74.5 Ų | 74.5 | 25% | 0.247 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 172.6 | -28.7 | 36.3 | 0 | 0 | 0 | 114 | E4 S10 A11 V12 | E4-P8 WeakPolarHBondContact O-CD 3.5Å; E4-P8 WeakPolarHBondContact O-CG 3.23Å; P8-S10 VanDerWaalsContact C-N 3.27Å; P8-S10 PolarHBondContact O-N 3.17Å; P8-A11 PolarHBondContact O-N 3.27Å; P8-V12 PolarHBondContact O-N 3.42Å |
| 9 | G | 75.8 | Confident | 74.4 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 52% | 0.515 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L7 G13 | L7-G9 PolarHBondContact O-N 2.84Å; G9-G13 PolarHBondContact O-N 3.26Å |
| 10 | S | 84.1 | Confident | 75.5 | Confident | 21 Ų | 21 | 74.1 Ų | 74.1 | 15% | 0.147 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 174.6 | -55.3 | 0 | 0 | 0 | 0 | 112 | R6 L7 P8 G13 W14 | R6-S10 WeakPolarHBondContact O-CB 3.48Å; R6-S10 PolarHBondContact O-N 3.49Å; R6-S10 PolarHBondContact O-OG 2.98Å; L7-S10 PolarHBondContact O-N 3.03Å; P8-S10 VanDerWaalsContact C-N 3.27Å; P8-S10 PolarHBondContact O-N 3.17Å; S10-G13 WeakPolarHBondContact O-CA 3.2Å; S10-G13 PolarHBondContact O-N 3.37Å; S10-W14 VanDerWaalsContact O-CD2 3.28Å; S10-W14 PolarHBondContact O-N 2.93Å |
| 11 | A | 87.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L7 P8 G13 W14 L15 Q68 L69 | L7-A11 PolarHBondContact O-N 3.21Å; L7-A11 VanDerWaalsContact O-N 3.07Å; P8-A11 PolarHBondContact O-N 3.27Å; A11-G13 VanDerWaalsContact C-N 3.32Å; A11-W14 HydrophobicContact CB-CE3 4.32Å; A11-W14 HydrophobicContact CB-CZ3 4.36Å; A11-L15 WeakPolarHBondContact O-CG 3.37Å; A11-L15 PolarHBondContact O-N 2.8Å; A11-Q68 HydrophobicContact CB-CB 4.15Å; A11-L69 HydrophobicContact CB-CD2 4.09Å; A11-L69 HydrophobicContact CB-CG 3.95Å |
| 12 | V | 90.4 | Very high | 79.3 | Confident | 84 Ų | 84 | 64.1 Ų | 64.1 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 172.1 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | P8 L15 A16 L69 | P8-V12 PolarHBondContact O-N 3.42Å; V12-L15 PolarHBondContact O-N 2.68Å; V12-A16 WeakPolarHBondContact O-CB 3.33Å; V12-A16 PolarHBondContact O-N 2.97Å; V12-L69 HydrophobicContact CG2-CD2 4.07Å |
| 13 | G | 92.1 | Very high | 81.5 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.7 | -49.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G9 S10 A11 L15 A16 C17 | G9-G13 PolarHBondContact O-N 3.26Å; S10-G13 WeakPolarHBondContact O-CA 3.2Å; S10-G13 PolarHBondContact O-N 3.37Å; A11-G13 VanDerWaalsContact C-N 3.32Å; G13-L15 VanDerWaalsContact C-N 3.34Å; G13-L15 PolarHBondContact O-N 3Å; G13-A16 PolarHBondContact O-N 3.14Å; G13-C17 VanDerWaalsContact O-CB 3.28Å; G13-C17 WeakPolarHBondContact O-CB 3.48Å; G13-C17 PolarHBondContact O-N 3.45Å; G13-C17 PolarHBondContact O-SG 2.88Å; G13-C17 VanDerWaalsContact O-SG 3.42Å |
| 14 | W | 94.3 | Very high | 83.7 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 176.8 | -64.2 | -40.4 | 0 | 0 | 0 | 112.8 | S10 A11 G18 I61 Y64 S65 L280 L283 W284 | S10-W14 VanDerWaalsContact O-CD2 3.28Å; S10-W14 PolarHBondContact O-N 2.93Å; A11-W14 HydrophobicContact CB-CE3 4.32Å; A11-W14 HydrophobicContact CB-CZ3 4.36Å; W14-G18 VanDerWaalsContact O-CA 3.3Å; W14-G18 WeakPolarHBondContact O-CA 2.76Å; W14-G18 PolarHBondContact O-N 3.43Å; W14-I61 HydrophobicContact CB-CG2 3.93Å; W14-Y64 HydrophobicContact CE3-CD1 4.19Å; W14-Y64 HydrophobicContact CH2-CD1 4.33Å; W14-Y64 AromaticContact CH2-CE1 3.88Å; W14-Y64 HydrophobicContact CH2-CE1 3.88Å; W14-Y64 AromaticContact CZ3-CD1 3.73Å; W14-Y64 HydrophobicContact CZ3-CD1 3.73Å; W14-Y64 AromaticContact CZ3-CE1 3.64Å; W14-Y64 HydrophobicContact CZ3-CE1 3.64Å; W14-S65 WeakPolarHBondContact CB-OG 3.48Å; W14-L280 HydrophobicContact CH2-CD2 3.44Å; W14-L280 VanDerWaalsContact CH2-CD2 3.44Å; W14-L280 HydrophobicContact CZ2-CD2 3.57Å; W14-L283 HydrophobicContact CH2-CD1 4.12Å; W14-L283 HydrophobicContact CZ2-CB 4.2Å; W14-L283 HydrophobicContact CZ2-CD1 4.13Å; W14-L283 HydrophobicContact CZ3-CD1 4.49Å; W14-W284 AromaticContact CD1-CD2 3.63Å; W14-W284 AromaticContact CD1-CE2 3.64Å; W14-W284 AromaticContact CD1-CE3 3.72Å; W14-W284 AromaticContact CD1-CH2 3.87Å; W14-W284 AromaticContact CD1-CZ2 3.77Å; W14-W284 AromaticContact CD1-CZ3 3.84Å; W14-W284 AromaticContact CE2-CE2 3.91Å; W14-W284 AromaticContact CE2-NE1 3.74Å; W14-W284 AromaticContact CZ2-NE1 3.83Å; W14-W284 AromaticContact NE1-CD1 3.48Å; W14-W284 AromaticContact NE1-CD2 3.21Å; W14-W284 AromaticContact NE1-CE2 3.11Å; W14-W284 AromaticContact NE1-CE3 3.82Å; W14-W284 AromaticContact NE1-CG 3.47Å; W14-W284 AromaticContact NE1-CZ2 3.66Å; W14-W284 AromaticContact NE1-NE1 3.27Å |
| 15 | L | 94.2 | Very high | 86 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 34% | 0.335 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 175.5 | -71.6 | 172.4 | 0 | 0 | 0 | 112.2 | A11 V12 G13 G19 L69 | A11-L15 WeakPolarHBondContact O-CG 3.37Å; A11-L15 PolarHBondContact O-N 2.8Å; V12-L15 PolarHBondContact O-N 2.68Å; G13-L15 VanDerWaalsContact C-N 3.34Å; G13-L15 PolarHBondContact O-N 3Å; L15-G19 PolarHBondContact O-N 3.12Å; L15-L69 HydrophobicContact CD1-CD1 3.63Å |
| 16 | A | 95.1 | Very high | 88.1 | Confident | 65 Ų | 65 | 48 Ų | 48 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.8 | -50.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | V12 G13 G18 G19 L20 | V12-A16 WeakPolarHBondContact O-CB 3.33Å; V12-A16 PolarHBondContact O-N 2.97Å; G13-A16 PolarHBondContact O-N 3.14Å; A16-G18 VanDerWaalsContact C-N 3.29Å; A16-G18 PolarHBondContact O-N 3.28Å; A16-G19 PolarHBondContact O-N 2.98Å; A16-L20 PolarHBondContact O-N 3.03Å; A16-L20 VanDerWaalsContact O-N 3.08Å |
| 17 | C | 95.4 | Very high | 89.8 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 27% | 0.27 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.6 | -35.8 | 175.4 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | G13 S21 V287 L291 | G13-C17 VanDerWaalsContact O-CB 3.28Å; G13-C17 WeakPolarHBondContact O-CB 3.48Å; G13-C17 PolarHBondContact O-N 3.45Å; G13-C17 PolarHBondContact O-SG 2.88Å; G13-C17 VanDerWaalsContact O-SG 3.42Å; C17-S21 VanDerWaalsContact O-CB 3.28Å; C17-S21 WeakPolarHBondContact O-CB 3.15Å; C17-S21 PolarHBondContact O-N 3.24Å; C17-V287 HydrophobicContact CB-CG1 3.52Å; C17-L291 HydrophobicContact CB-CD1 4.14Å |
| 18 | G | 94.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.3 | -51.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | W14 A16 L20 S21 L22 V57 | W14-G18 VanDerWaalsContact O-CA 3.3Å; W14-G18 WeakPolarHBondContact O-CA 2.76Å; W14-G18 PolarHBondContact O-N 3.43Å; A16-G18 VanDerWaalsContact C-N 3.29Å; A16-G18 PolarHBondContact O-N 3.28Å; G18-L20 VanDerWaalsContact C-N 3.3Å; G18-L20 PolarHBondContact O-N 3.42Å; G18-S21 CarbonylContact O-C 3.57Å; G18-S21 WeakPolarHBondContact O-CA 3.37Å; G18-S21 WeakPolarHBondContact O-CB 3.49Å; G18-S21 PolarHBondContact O-N 2.83Å; G18-L22 PolarHBondContact O-N 3.39Å; G18-V57 VanDerWaalsContact C-CG1 3.5Å; G18-V57 WeakPolarHBondContact O-CG1 3.31Å |
| 19 | G | 95.1 | Very high | 92.8 | Very high | 33 Ų | 33 | 41 Ų | 41 | 34% | 0.34 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.4 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L15 A16 S21 L22 L23 | L15-G19 PolarHBondContact O-N 3.12Å; A16-G19 PolarHBondContact O-N 2.98Å; G19-S21 PolarHBondContact O-N 2.67Å; G19-L22 PolarHBondContact O-N 2.96Å; G19-L23 WeakPolarHBondContact O-CG 3.42Å; G19-L23 PolarHBondContact O-N 3.11Å |
| 20 | L | 96.5 | Very high | 93.6 | Very high | 107 Ų | 107 | 42.1 Ų | 42.1 | 56% | 0.56 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.7 | -44.2 | 173 | 179.2 | 61.2 | 0 | 0 | 0 | 112.1 | A16 G18 L22 L23 A24 L291 | A16-L20 PolarHBondContact O-N 3.03Å; A16-L20 VanDerWaalsContact O-N 3.08Å; G18-L20 VanDerWaalsContact C-N 3.3Å; G18-L20 PolarHBondContact O-N 3.42Å; L20-L22 PolarHBondContact O-N 2.85Å; L20-L23 PolarHBondContact O-N 2.97Å; L20-A24 VanDerWaalsContact O-CB 3.31Å; L20-A24 WeakPolarHBondContact O-CB 3.48Å; L20-A24 PolarHBondContact O-N 2.95Å; L20-L291 HydrophobicContact CB-CD2 4.39Å; L20-L291 HydrophobicContact CD2-CD2 4.14Å; L20-L291 HydrophobicContact CG-CD2 4.07Å |
| 21 | S | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 178.4 | -172.5 | 0 | 0 | 0 | 0 | 113 | C17 G18 G19 A24 N25 A290 L291 | C17-S21 VanDerWaalsContact O-CB 3.28Å; C17-S21 WeakPolarHBondContact O-CB 3.15Å; C17-S21 PolarHBondContact O-N 3.24Å; G18-S21 CarbonylContact O-C 3.57Å; G18-S21 WeakPolarHBondContact O-CA 3.37Å; G18-S21 WeakPolarHBondContact O-CB 3.49Å; G18-S21 PolarHBondContact O-N 2.83Å; G19-S21 PolarHBondContact O-N 2.67Å; S21-A24 PolarHBondContact O-N 2.9Å; S21-N25 WeakPolarHBondContact O-CB 3.23Å; S21-N25 PolarHBondContact O-N 3.22Å; S21-N25 PolarHBondContact O-ND2 2.89Å; S21-N25 PolarHBondContact OG-ND2 3.15Å; S21-A290 WeakPolarHBondContact OG-CB 3.45Å; S21-A290 PolarHBondContact OG-O 2.68Å; S21-L291 PolarHBondContact OG-N 2.99Å |
| 22 | L | 95.9 | Very high | 94 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 28% | 0.277 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.2 | -51 | 176.3 | -76.4 | 165.3 | 0 | 0 | 0 | 111 | G18 G19 L20 A24 N25 A26 M54 V57 A58 | G18-L22 PolarHBondContact O-N 3.39Å; G19-L22 PolarHBondContact O-N 2.96Å; L20-L22 PolarHBondContact O-N 2.85Å; L22-A24 PolarHBondContact O-N 2.85Å; L22-N25 PolarHBondContact O-N 3.27Å; L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 3.15Å; L22-M54 HydrophobicContact CD2-CB 3.89Å; L22-M54 HydrophobicContact CD2-CG 4.2Å; L22-M54 WeakPolarHBondContact CD2-O 3.36Å; L22-V57 HydrophobicContact CD1-CG1 3.96Å; L22-V57 HydrophobicContact CD2-CB 4.34Å; L22-V57 HydrophobicContact CD2-CG1 4.36Å; L22-V57 HydrophobicContact CG-CB 4.26Å; L22-V57 HydrophobicContact CG-CG1 3.79Å; L22-A58 HydrophobicContact CD2-CB 4.17Å |
| 23 | L | 95.6 | Very high | 93.8 | Very high | 130 Ų | 130 | 38.2 Ų | 38.2 | 68% | 0.681 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.3 | -42.7 | 178.1 | -64.2 | 174.1 | 0 | 0 | 0 | 111.7 | G19 L20 A26 W27 | G19-L23 WeakPolarHBondContact O-CG 3.42Å; G19-L23 PolarHBondContact O-N 3.11Å; L20-L23 PolarHBondContact O-N 2.97Å; L23-A26 PolarHBondContact O-N 3.22Å; L23-W27 WeakPolarHBondContact O-CB 3.48Å; L23-W27 PolarHBondContact O-N 3Å |
| 24 | A | 95.5 | Very high | 93.5 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.5 | -37.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | L20 S21 L22 G28 P294 | L20-A24 VanDerWaalsContact O-CB 3.31Å; L20-A24 WeakPolarHBondContact O-CB 3.48Å; L20-A24 PolarHBondContact O-N 2.95Å; S21-A24 PolarHBondContact O-N 2.9Å; L22-A24 PolarHBondContact O-N 2.85Å; A24-G28 PolarHBondContact O-N 2.99Å; A24-P294 VanDerWaalsContact C-CG 3.43Å; A24-P294 HydrophobicContact CB-CB 3.83Å; A24-P294 HydrophobicContact CB-CG 3.66Å; A24-P294 WeakPolarHBondContact O-CB 3.42Å; A24-P294 WeakPolarHBondContact O-CG 3.38Å |
| 25 | N | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.9 | -39.7 | 175.8 | -78.8 | -86.1 | 0 | 0 | 0 | 112.1 | S21 L22 W27 G28 I29 A50 M54 A290 P294 | S21-N25 WeakPolarHBondContact O-CB 3.23Å; S21-N25 PolarHBondContact O-N 3.22Å; S21-N25 PolarHBondContact O-ND2 2.89Å; S21-N25 PolarHBondContact OG-ND2 3.15Å; L22-N25 PolarHBondContact O-N 3.27Å; N25-W27 VanDerWaalsContact C-N 3.31Å; N25-W27 PolarHBondContact O-N 2.88Å; N25-G28 WeakPolarHBondContact O-CA 3.43Å; N25-G28 PolarHBondContact O-N 3.25Å; N25-G28 VanDerWaalsContact O-N 3.1Å; N25-I29 WeakPolarHBondContact O-CG1 3.44Å; N25-I29 PolarHBondContact O-N 3.46Å; N25-A50 HydrophobicContact CB-CB 4.28Å; N25-M54 HydrophobicContact CB-CG 3.55Å; N25-M54 HydrophobicContact CB-SD 3.96Å; N25-A290 PolarHBondContact ND2-O 2.91Å; N25-P294 HydrophobicContact CB-CG 4.45Å |
| 26 | A | 95.1 | Very high | 92.3 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.3 | -45.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L22 L23 G28 I29 L30 M54 | L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 3.15Å; L23-A26 PolarHBondContact O-N 3.22Å; A26-G28 VanDerWaalsContact C-N 3.31Å; A26-G28 PolarHBondContact O-N 3.19Å; A26-I29 PolarHBondContact O-N 3.12Å; A26-L30 WeakPolarHBondContact O-CG 3.32Å; A26-L30 PolarHBondContact O-N 3.42Å; A26-M54 HydrophobicContact CB-CE 3.99Å; A26-M54 HydrophobicContact CB-SD 4.34Å |
| 27 | W | 93.3 | Very high | 91.2 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 29% | 0.292 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 172.7 | -177.6 | -98 | 0 | 0 | 0 | 112.9 | L23 N25 L30 S31 L307 V310 | L23-W27 WeakPolarHBondContact O-CB 3.48Å; L23-W27 PolarHBondContact O-N 3Å; N25-W27 VanDerWaalsContact C-N 3.31Å; N25-W27 PolarHBondContact O-N 2.88Å; W27-L30 PolarHBondContact O-N 2.92Å; W27-S31 PolarHBondContact NE1-OG 2.92Å; W27-S31 VanDerWaalsContact O-CB 3.27Å; W27-S31 WeakPolarHBondContact O-CB 3.5Å; W27-S31 PolarHBondContact O-N 3.47Å; W27-S31 PolarHBondContact O-OG 3.12Å; W27-L307 HydrophobicContact CH2-CB 4.47Å; W27-L307 HydrophobicContact CH2-CD1 3.55Å; W27-L307 HydrophobicContact CZ3-CD1 3.94Å; W27-V310 HydrophobicContact CH2-CB 3.77Å; W27-V310 HydrophobicContact CH2-CG1 3.94Å; W27-V310 HydrophobicContact CH2-CG2 3.74Å; W27-V310 HydrophobicContact CZ2-CB 4.48Å; W27-V310 HydrophobicContact CZ2-CG2 3.94Å; W27-V310 HydrophobicContact CZ3-CB 4.19Å; W27-V310 HydrophobicContact CZ3-CG1 3.82Å; W27-V310 HydrophobicContact CZ3-CG2 4.39Å |
| 28 | G | 92.6 | Very high | 90.6 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A24 N25 A26 S31 V32 | A24-G28 PolarHBondContact O-N 2.99Å; N25-G28 WeakPolarHBondContact O-CA 3.43Å; N25-G28 PolarHBondContact O-N 3.25Å; N25-G28 VanDerWaalsContact O-N 3.1Å; A26-G28 VanDerWaalsContact C-N 3.31Å; A26-G28 PolarHBondContact O-N 3.19Å; G28-S31 PolarHBondContact O-N 3.5Å; G28-V32 WeakPolarHBondContact O-CG2 3.29Å; G28-V32 PolarHBondContact O-N 3.15Å |
| 29 | I | 93.8 | Very high | 90 | Very high | 49 Ų | 49 | 58.6 Ų | 58.6 | 25% | 0.251 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 177.2 | -65 | 168 | 0 | 0 | 0 | 110.5 | N25 A26 S31 V32 G33 C47 A50 M54 | N25-I29 WeakPolarHBondContact O-CG1 3.44Å; N25-I29 PolarHBondContact O-N 3.46Å; A26-I29 PolarHBondContact O-N 3.12Å; I29-S31 VanDerWaalsContact C-N 3.34Å; I29-S31 PolarHBondContact O-N 3.01Å; I29-V32 PolarHBondContact O-N 2.98Å; I29-G33 PolarHBondContact O-N 3.48Å; I29-C47 HydrophobicContact CG1-CB 4.32Å; I29-A50 HydrophobicContact CD1-CB 3.96Å; I29-A50 HydrophobicContact CG1-CB 3.77Å; I29-M54 HydrophobicContact CD1-SD 3.86Å |
| 30 | L | 91.3 | Very high | 89.7 | Confident | 75 Ų | 75 | 61.1 Ų | 61.1 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 177 | -69.4 | 173 | 0 | 0 | 0 | 112.1 | A26 W27 G33 A34 V310 | A26-L30 WeakPolarHBondContact O-CG 3.32Å; A26-L30 PolarHBondContact O-N 3.42Å; W27-L30 PolarHBondContact O-N 2.92Å; L30-G33 PolarHBondContact O-N 3.13Å; L30-A34 VanDerWaalsContact O-CB 3.23Å; L30-A34 WeakPolarHBondContact O-CB 3.25Å; L30-A34 PolarHBondContact O-N 3.36Å; L30-V310 HydrophobicContact CB-CG1 3.99Å |
| 31 | S | 90 | Very high | 89.5 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 177.8 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | W27 G28 I29 A34 K35 | W27-S31 PolarHBondContact NE1-OG 2.92Å; W27-S31 VanDerWaalsContact O-CB 3.27Å; W27-S31 WeakPolarHBondContact O-CB 3.5Å; W27-S31 PolarHBondContact O-N 3.47Å; W27-S31 PolarHBondContact O-OG 3.12Å; G28-S31 PolarHBondContact O-N 3.5Å; I29-S31 VanDerWaalsContact C-N 3.34Å; I29-S31 PolarHBondContact O-N 3.01Å; S31-A34 PolarHBondContact O-N 2.93Å; S31-K35 PolarHBondContact O-N 2.93Å |
| 32 | V | 90.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 174.7 | 176 | 0 | 0 | 0 | 0 | 110.3 | G28 I29 A34 K35 Q36 W39 E43 Y303 | G28-V32 WeakPolarHBondContact O-CG2 3.29Å; G28-V32 PolarHBondContact O-N 3.15Å; I29-V32 PolarHBondContact O-N 2.98Å; V32-A34 VanDerWaalsContact C-N 3.31Å; V32-A34 PolarHBondContact O-N 3.28Å; V32-K35 PolarHBondContact O-N 2.94Å; V32-Q36 WeakPolarHBondContact O-CG 3.18Å; V32-Q36 PolarHBondContact O-N 2.99Å; V32-W39 HydrophobicContact CG1-CZ3 3.87Å; V32-E43 HydrophobicContact CG1-CB 3.9Å; V32-E43 HydrophobicContact CG1-CG 3.99Å; V32-Y303 HydrophobicContact CG2-CD1 3.97Å; V32-Y303 HydrophobicContact CG2-CG 4.36Å |
| 33 | G | 86.4 | Confident | 89.2 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 16% | 0.155 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -34.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I29 L30 K313 | I29-G33 PolarHBondContact O-N 3.48Å; L30-G33 PolarHBondContact O-N 3.13Å; G33-K313 PolarHBondContact O-NZ 3.43Å |
| 34 | A | 86.4 | Confident | 89.1 | Confident | 13 Ų | 13 | 51 Ų | 51 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68 | -45.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L30 S31 V32 V310 K313 | L30-A34 VanDerWaalsContact O-CB 3.23Å; L30-A34 WeakPolarHBondContact O-CB 3.25Å; L30-A34 PolarHBondContact O-N 3.36Å; S31-A34 PolarHBondContact O-N 2.93Å; V32-A34 VanDerWaalsContact C-N 3.31Å; V32-A34 PolarHBondContact O-N 3.28Å; A34-V310 HydrophobicContact CB-CG2 3.95Å; A34-K313 HydrophobicContact CB-CB 4.16Å; A34-K313 HydrophobicContact CB-CG 4.07Å; A34-K313 WeakPolarHBondContact O-CE 3.47Å |
| 35 | K | 81.3 | Confident | 89.1 | Confident | 91 Ų | 91 | 50 Ų | 50 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -74.7 | -24.1 | -179.4 | -85 | -170.1 | 160.7 | 179.3 | 0 | 114.6 | S31 V32 D301 R302 R304 A305 | S31-K35 PolarHBondContact O-N 2.93Å; V32-K35 PolarHBondContact O-N 2.94Å; K35-D301 PolarHBondContact NZ-O 2.91Å; K35-R302 WeakPolarHBondContact CD-O 3.22Å; K35-R304 WeakPolarHBondContact CE-O 3.47Å; K35-R304 PolarHBondContact NZ-O 2.98Å; K35-A305 HydrophobicContact CG-CB 4.4Å |
| 36 | Q | 80.4 | Confident | 89 | Confident | 30 Ų | 30 | 50 Ų | 50 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | trans | -92.2 | 132 | -176.7 | -59.7 | -51.3 | -39.7 | 0 | 0 | 113 | V32 E43 K313 | V32-Q36 WeakPolarHBondContact O-CG 3.18Å; V32-Q36 PolarHBondContact O-N 2.99Å; Q36-E43 HydrophobicContact CG-CG 4.4Å; Q36-E43 WeakPolarHBondContact CG-OE2 3.47Å; Q36-K313 PolarHBondContact O-NZ 3.49Å | ||
| 37 | K | 73.3 | Confident | 89 | Confident | 214 Ų | 214 | 49.1 Ų | 49.1 | 93% | 0.93 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -88.8 | -21.6 | 163.8 | -68.1 | -169.1 | 176.6 | -170.1 | 0 | 112.7 | ||
| 38 | K | 81.6 | Confident | 89.1 | Confident | 154 Ų | 154 | 47.8 Ų | 47.8 | 67% | 0.67 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -146.8 | 105.9 | 179.9 | -177.2 | 170.9 | -175 | 168.8 | 0 | 109.7 | K40 | K38-K40 PolarHBondContact O-N 3.47Š|
| 39 | W | 82.8 | Confident | 89.3 | Confident | 118 Ų | 118 | 47.5 Ų | 47.5 | 45% | 0.447 | 22% | 0.221 | S | C | . | . | trans | -48.8 | 122.6 | 178.4 | -66.7 | 101.7 | 0 | 0 | 0 | 112.7 | V32 E43 K124 | V32-W39 HydrophobicContact CG1-CZ3 3.87Å; W39-E43 HydrophobicContact CE3-CB 4.38Å; W39-K124 WeakPolarHBondContact O-CE 3.34Å; W39-K124 PolarHBondContact O-NZ 3.08Å | ||
| 40 | K | 89.6 | Confident | 89.5 | Confident | 85 Ų | 85 | 45.2 Ų | 45.2 | 37% | 0.37 | 21% | 0.21 | S | C | . | . | trans | -92.4 | 156.8 | 169.5 | -58.5 | 176 | -171.5 | 175.5 | 0 | 110.5 | K38 L42 E43 F44 R302 | K38-K40 PolarHBondContact O-N 3.47Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 2.98Å; K40-E43 VanDerWaalsContact CB-OE2 3.23Å; K40-E43 WeakPolarHBondContact CB-OE2 3.23Å; K40-E43 WeakPolarHBondContact CG-OE2 3.19Å; K40-E43 PolarHBondContact N-OE2 2.99Å; K40-E43 WeakPolarHBondContact O-CB 3.36Å; K40-E43 PolarHBondContact O-N 3.45Å; K40-E43 VanDerWaalsContact O-N 3.08Å; K40-F44 PolarHBondContact O-N 2.86Å; K40-F44 VanDerWaalsContact O-N 3.09Å; K40-R302 VanDerWaalsContact CD-NH2 3.33Å | ||
| 41 | P | 91.9 | Very high | 89.7 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 7% | 0.065 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.9 | -36 | -174.9 | -17.3 | 28 | 0 | 0 | 0 | 113.3 | E43 F44 L45 H107 A123 K124 A127 | P41-E43 PolarHBondContact O-N 2.88Å; P41-F44 WeakPolarHBondContact O-CB 3.34Å; P41-F44 PolarHBondContact O-N 3.07Å; P41-L45 WeakPolarHBondContact O-CG 3.36Å; P41-L45 PolarHBondContact O-N 2.98Å; P41-H107 WeakPolarHBondContact CB-NE2 3.46Å; P41-A123 HydrophobicContact CG-CB 3.93Å; P41-K124 HydrophobicContact CG-CB 4.49Å; P41-K124 HydrophobicContact CG-CG 3.9Å; P41-A127 HydrophobicContact CB-CB 3.78Å |
| 42 | L | 92.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 174.6 | -174.2 | 72 | 0 | 0 | 0 | 112.8 | K40 L45 L46 L104 I242 V246 | K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 2.98Å; L42-L45 PolarHBondContact O-N 3.16Å; L42-L46 HydrophobicContact CG-CD1 4.35Å; L42-L46 WeakPolarHBondContact O-CG 3.17Å; L42-L46 PolarHBondContact O-N 3.22Å; L42-L104 HydrophobicContact CD1-CD2 3.71Å; L42-I242 HydrophobicContact CD2-CG2 3.42Å; L42-I242 VanDerWaalsContact CD2-CG2 3.42Å; L42-V246 HydrophobicContact CD1-CG2 4.3Å |
| 43 | E | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -39.9 | 177.5 | -76.1 | 137.4 | -158.3 | 0 | 0 | 111 | V32 Q36 W39 K40 P41 L46 C47 R302 Y303 | V32-E43 HydrophobicContact CG1-CB 3.9Å; V32-E43 HydrophobicContact CG1-CG 3.99Å; Q36-E43 HydrophobicContact CG-CG 4.4Å; Q36-E43 WeakPolarHBondContact CG-OE2 3.47Å; W39-E43 HydrophobicContact CE3-CB 4.38Å; K40-E43 VanDerWaalsContact CB-OE2 3.23Å; K40-E43 WeakPolarHBondContact CB-OE2 3.23Å; K40-E43 WeakPolarHBondContact CG-OE2 3.19Å; K40-E43 PolarHBondContact N-OE2 2.99Å; K40-E43 WeakPolarHBondContact O-CB 3.36Å; K40-E43 PolarHBondContact O-N 3.45Å; K40-E43 VanDerWaalsContact O-N 3.08Å; P41-E43 PolarHBondContact O-N 2.88Å; E43-L46 PolarHBondContact O-N 2.95Å; E43-C47 PolarHBondContact O-N 2.84Å; E43-C47 PolarHBondContact O-SG 2.94Å; E43-C47 VanDerWaalsContact O-SG 3.41Å; E43-R302 IonicContact OE1-CZ 3.52Å; E43-R302 IonicContact OE1-NE 2.71Å; E43-R302 PolarHBondContact OE1-NE 2.81Å; E43-R302 IonicContact OE1-NH2 3.75Å; E43-R302 PolarHBondContact OE1-NH2 2.96Å; E43-Y303 HydrophobicContact CG-CE1 3.7Å |
| 44 | F | 93.9 | Very high | 90.9 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 27% | 0.268 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61 | -47.1 | 172.8 | 176.8 | -105.4 | 0 | 0 | 0 | 112 | K40 P41 L46 C47 M48 A127 V128 V131 | K40-F44 PolarHBondContact O-N 2.86Å; K40-F44 VanDerWaalsContact O-N 3.09Å; P41-F44 WeakPolarHBondContact O-CB 3.34Å; P41-F44 PolarHBondContact O-N 3.07Å; F44-L46 VanDerWaalsContact C-N 3.33Å; F44-L46 PolarHBondContact O-N 3.06Å; F44-C47 PolarHBondContact O-N 3Å; F44-M48 HydrophobicContact CD1-CG 4.4Å; F44-M48 HydrophobicContact CD2-CG 4.36Å; F44-M48 HydrophobicContact CE1-CG 4.02Å; F44-M48 HydrophobicContact CE2-CG 3.98Å; F44-M48 HydrophobicContact CE2-SD 4.1Å; F44-M48 HydrophobicContact CZ-CG 3.79Å; F44-M48 HydrophobicContact CZ-SD 4.1Å; F44-M48 WeakPolarHBondContact O-CG 3.41Å; F44-M48 PolarHBondContact O-N 3.47Å; F44-A127 HydrophobicContact CD1-CB 4.4Å; F44-V128 HydrophobicContact CD1-CG2 4.46Å; F44-V128 HydrophobicContact CE1-CB 4.48Å; F44-V128 HydrophobicContact CE1-CG2 3.9Å; F44-V128 HydrophobicContact CZ-CG2 4.03Å; F44-V131 HydrophobicContact CD1-CG2 4.33Å; F44-V131 HydrophobicContact CE1-CB 4.08Å; F44-V131 HydrophobicContact CE1-CG2 3.69Å; F44-V131 HydrophobicContact CZ-CG2 4.5Å |
| 45 | L | 95.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 176.6 | -69.7 | 171 | 0 | 0 | 0 | 112.7 | P41 L42 M48 L49 L104 H107 A127 V131 | P41-L45 WeakPolarHBondContact O-CG 3.36Å; P41-L45 PolarHBondContact O-N 2.98Å; L42-L45 PolarHBondContact O-N 3.16Å; L45-M48 PolarHBondContact O-N 3.23Å; L45-L49 PolarHBondContact O-N 3.44Å; L45-L104 HydrophobicContact CB-CD2 3.49Å; L45-L104 VanDerWaalsContact CB-CD2 3.49Å; L45-L104 HydrophobicContact CB-CG 4.22Å; L45-L104 HydrophobicContact CD1-CD2 4.22Å; L45-L104 HydrophobicContact CG-CD2 4.5Å; L45-H107 HydrophobicContact CD1-CB 3.95Å; L45-A127 HydrophobicContact CG-CB 4.5Å; L45-V131 HydrophobicContact CD2-CG2 3.6Å |
| 46 | L | 95.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.2 | -41.7 | 175.9 | -71.4 | 168.4 | 0 | 0 | 0 | 112.3 | L42 E43 F44 L49 A50 L104 I249 L293 L297 Y303 | L42-L46 HydrophobicContact CG-CD1 4.35Å; L42-L46 WeakPolarHBondContact O-CG 3.17Å; L42-L46 PolarHBondContact O-N 3.22Å; E43-L46 PolarHBondContact O-N 2.95Å; F44-L46 VanDerWaalsContact C-N 3.33Å; F44-L46 PolarHBondContact O-N 3.06Å; L46-L49 PolarHBondContact O-N 3.29Å; L46-A50 PolarHBondContact O-N 2.95Å; L46-L104 HydrophobicContact CD2-CD1 4.07Å; L46-L104 HydrophobicContact CD2-CD2 4.06Å; L46-L104 HydrophobicContact CG-CD2 4.09Å; L46-I249 HydrophobicContact CD2-CD1 3.95Å; L46-L293 HydrophobicContact CD2-CD1 4.4Å; L46-L297 HydrophobicContact CD1-CD2 4.18Å; L46-Y303 HydrophobicContact CD1-CE2 4.14Å |
| 47 | C | 95.3 | Very high | 92.8 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 10% | 0.101 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 174.5 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | I29 E43 F44 A50 A51 | I29-C47 HydrophobicContact CG1-CB 4.32Å; E43-C47 PolarHBondContact O-N 2.84Å; E43-C47 PolarHBondContact O-SG 2.94Å; E43-C47 VanDerWaalsContact O-SG 3.41Å; F44-C47 PolarHBondContact O-N 3Å; C47-A50 PolarHBondContact O-N 3.39Å; C47-A51 PolarHBondContact O-N 2.88Å |
| 48 | M | 95.6 | Very high | 93.9 | Very high | 48 Ų | 48 | 34.5 Ų | 34.5 | 24% | 0.236 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 174.6 | -70.6 | -56 | -47.6 | 0 | 0 | 111.9 | F44 L45 A51 T52 V131 | F44-M48 HydrophobicContact CD1-CG 4.4Å; F44-M48 HydrophobicContact CD2-CG 4.36Å; F44-M48 HydrophobicContact CE1-CG 4.02Å; F44-M48 HydrophobicContact CE2-CG 3.98Å; F44-M48 HydrophobicContact CE2-SD 4.1Å; F44-M48 HydrophobicContact CZ-CG 3.79Å; F44-M48 HydrophobicContact CZ-SD 4.1Å; F44-M48 WeakPolarHBondContact O-CG 3.41Å; F44-M48 PolarHBondContact O-N 3.47Å; L45-M48 PolarHBondContact O-N 3.23Å; M48-A51 PolarHBondContact O-N 3.46Å; M48-T52 PolarHBondContact O-N 3.19Å; M48-T52 PolarHBondContact O-OG1 2.89Å; M48-V131 HydrophobicContact CB-CG1 4.37Å; M48-V131 HydrophobicContact CB-CG2 4.36Å; M48-V131 HydrophobicContact CE-CG1 3.78Å; M48-V131 HydrophobicContact CG-CG1 3.92Å; M48-V131 HydrophobicContact CG-CG2 4.12Å; M48-V131 HydrophobicContact SD-CG1 4.29Å |
| 49 | L | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 173 | -175.8 | 65 | 0 | 0 | 0 | 111.8 | L45 L46 A51 T52 H53 T97 V101 L104 Y253 L293 | L45-L49 PolarHBondContact O-N 3.44Å; L46-L49 PolarHBondContact O-N 3.29Å; L49-A51 PolarHBondContact O-N 3.25Å; L49-T52 WeakPolarHBondContact O-CB 3.32Å; L49-T52 PolarHBondContact O-N 3.09Å; L49-H53 PolarHBondContact O-CD2 3.16Å; L49-H53 PolarHBondContact O-N 3.25Å; L49-T97 HydrophobicContact CD1-CG2 4.2Å; L49-V101 HydrophobicContact CD1-CG2 4.42Å; L49-V101 HydrophobicContact CD2-CG2 4.43Å; L49-L104 HydrophobicContact CD2-CD1 3.81Å; L49-Y253 HydrophobicContact CD1-CE2 4.4Å; L49-Y253 HydrophobicContact CD2-CE2 4.2Å; L49-L293 HydrophobicContact CB-CD2 4.24Å; L49-L293 HydrophobicContact CD2-CD1 4.33Å; L49-L293 HydrophobicContact CD2-CD2 4.18Å; L49-L293 HydrophobicContact CG-CD2 4.02Å |
| 50 | A | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N25 I29 L46 C47 H53 M54 L293 | N25-A50 HydrophobicContact CB-CB 4.28Å; I29-A50 HydrophobicContact CD1-CB 3.96Å; I29-A50 HydrophobicContact CG1-CB 3.77Å; L46-A50 PolarHBondContact O-N 2.95Å; C47-A50 PolarHBondContact O-N 3.39Å; A50-H53 PolarHBondContact O-N 3.43Å; A50-M54 WeakPolarHBondContact O-CG 3.33Å; A50-M54 PolarHBondContact O-N 3.06Å; A50-L293 HydrophobicContact CB-CD2 3.71Å |
| 51 | A | 97 | Very high | 95.2 | Very high | 36 Ų | 36 | 19.8 Ų | 19.8 | 30% | 0.298 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -63.5 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C47 M48 L49 H53 M54 L55 | C47-A51 PolarHBondContact O-N 2.88Å; M48-A51 PolarHBondContact O-N 3.46Å; L49-A51 PolarHBondContact O-N 3.25Å; A51-H53 VanDerWaalsContact C-N 3.33Å; A51-H53 PolarHBondContact O-N 2.92Å; A51-M54 PolarHBondContact O-N 3.46Å; A51-L55 PolarHBondContact O-N 2.99Å |
| 52 | T | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 172.6 | -54 | 0 | 0 | 0 | 0 | 111.4 | M48 L49 L55 N56 L93 A96 T97 W135 | M48-T52 PolarHBondContact O-N 3.19Å; M48-T52 PolarHBondContact O-OG1 2.89Å; L49-T52 WeakPolarHBondContact O-CB 3.32Å; L49-T52 PolarHBondContact O-N 3.09Å; T52-L55 PolarHBondContact O-N 3.35Å; T52-N56 WeakPolarHBondContact O-CB 3.05Å; T52-N56 PolarHBondContact O-N 2.87Å; T52-L93 HydrophobicContact CG2-CD2 4.05Å; T52-A96 HydrophobicContact CG2-CB 4.25Å; T52-T97 WeakPolarHBondContact CG2-OG1 3.42Å; T52-W135 HydrophobicContact CG2-CZ2 4.34Å; T52-W135 WeakPolarHBondContact OG1-CZ2 3.09Å |
| 53 | H | 96.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 175.6 | -70.5 | -49.1 | 0 | 0 | 0 | 113 | L49 A50 A51 N56 V57 Y253 A290 | L49-H53 PolarHBondContact O-CD2 3.16Å; L49-H53 PolarHBondContact O-N 3.25Å; A50-H53 PolarHBondContact O-N 3.43Å; A51-H53 VanDerWaalsContact C-N 3.33Å; A51-H53 PolarHBondContact O-N 2.92Å; H53-N56 PolarHBondContact O-N 3.37Å; H53-V57 WeakPolarHBondContact O-CG2 3.31Å; H53-V57 PolarHBondContact O-N 3.44Å; H53-Y253 AromaticContact CE1-CE2 3.51Å; H53-Y253 AromaticContact CE1-CZ 3.9Å; H53-Y253 PolarHBondContact CE1-OH 3.29Å; H53-Y253 AromaticContact NE2-CE2 3.24Å; H53-Y253 WeakPolarHBondContact NE2-CE2 3.22Å; H53-Y253 AromaticContact NE2-CZ 3.41Å; H53-Y253 PolarHBondContact NE2-OH 2.95Å; H53-A290 HydrophobicContact CB-CB 3.89Å |
| 54 | M | 97.6 | Very high | 95.2 | Very high | 51 Ų | 51 | 23.4 Ų | 23.4 | 25% | 0.251 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -59.6 | -47.9 | 173.4 | -70.1 | 171.9 | 66.2 | 0 | 0 | 110.8 | L22 N25 A26 I29 A50 A51 N56 V57 A58 | L22-M54 HydrophobicContact CD2-CB 3.89Å; L22-M54 HydrophobicContact CD2-CG 4.2Å; L22-M54 WeakPolarHBondContact CD2-O 3.36Å; N25-M54 HydrophobicContact CB-CG 3.55Å; N25-M54 HydrophobicContact CB-SD 3.96Å; A26-M54 HydrophobicContact CB-CE 3.99Å; A26-M54 HydrophobicContact CB-SD 4.34Å; I29-M54 HydrophobicContact CD1-SD 3.86Å; A50-M54 WeakPolarHBondContact O-CG 3.33Å; A50-M54 PolarHBondContact O-N 3.06Å; A51-M54 PolarHBondContact O-N 3.46Å; M54-N56 VanDerWaalsContact C-N 3.33Å; M54-N56 PolarHBondContact O-N 3.32Å; M54-V57 PolarHBondContact O-N 3.48Å; M54-A58 VanDerWaalsContact O-CB 3.23Å; M54-A58 WeakPolarHBondContact O-CB 3.46Å; M54-A58 PolarHBondContact O-N 2.99Å |
| 55 | L | 96.7 | Very high | 95 | Very high | 73 Ų | 73 | 20.5 Ų | 20.5 | 38% | 0.382 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -66 | -35.7 | 179.5 | -166.5 | 60 | 0 | 0 | 0 | 112.3 | A51 T52 A58 V59 L93 W135 | A51-L55 PolarHBondContact O-N 2.99Å; T52-L55 PolarHBondContact O-N 3.35Å; L55-A58 PolarHBondContact O-N 2.69Å; L55-V59 HydrophobicContact CD1-CG2 3.74Å; L55-V59 HydrophobicContact CG-CG2 4.47Å; L55-V59 PolarHBondContact O-N 3.43Å; L55-L93 HydrophobicContact CB-CD1 4.3Å; L55-L93 HydrophobicContact CB-CD2 4.38Å; L55-L93 HydrophobicContact CD2-CD2 4.06Å; L55-L93 HydrophobicContact CG-CD1 4.11Å; L55-L93 HydrophobicContact CG-CD2 4.35Å; L55-W135 HydrophobicContact CD2-CH2 3.81Å; L55-W135 HydrophobicContact CD2-CZ3 4.01Å |
| 56 | N | 95.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65 | -41 | 177.1 | -169.9 | 50.8 | 0 | 0 | 0 | 111.8 | T52 H53 M54 P60 I61 L93 | T52-N56 WeakPolarHBondContact O-CB 3.05Å; T52-N56 PolarHBondContact O-N 2.87Å; H53-N56 PolarHBondContact O-N 3.37Å; M54-N56 VanDerWaalsContact C-N 3.33Å; M54-N56 PolarHBondContact O-N 3.32Å; N56-P60 WeakPolarHBondContact O-CD 3.31Å; N56-P60 VanDerWaalsContact O-CG 3.24Å; N56-P60 WeakPolarHBondContact O-CG 3.34Å; N56-P60 VanDerWaalsContact OD1-CG 3.32Å; N56-P60 WeakPolarHBondContact OD1-CG 3.5Å; N56-I61 WeakPolarHBondContact O-CG1 3.47Å; N56-I61 PolarHBondContact O-N 2.86Å; N56-L93 VanDerWaalsContact CA-CD1 3.46Å; N56-L93 HydrophobicContact CB-CB 4.25Å; N56-L93 HydrophobicContact CB-CD1 3.94Å |
| 57 | V | 96.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.03 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -70.6 | -45.3 | 175.1 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | G18 L22 H53 M54 V59 A62 A290 | G18-V57 VanDerWaalsContact C-CG1 3.5Å; G18-V57 WeakPolarHBondContact O-CG1 3.31Å; L22-V57 HydrophobicContact CD1-CG1 3.96Å; L22-V57 HydrophobicContact CD2-CB 4.34Å; L22-V57 HydrophobicContact CD2-CG1 4.36Å; L22-V57 HydrophobicContact CG-CB 4.26Å; L22-V57 HydrophobicContact CG-CG1 3.79Å; H53-V57 WeakPolarHBondContact O-CG2 3.31Å; H53-V57 PolarHBondContact O-N 3.44Å; M54-V57 PolarHBondContact O-N 3.48Å; V57-V59 PolarHBondContact O-N 3.04Å; V57-A62 WeakPolarHBondContact O-CB 3.37Å; V57-A62 PolarHBondContact O-N 2.95Å; V57-A62 VanDerWaalsContact O-N 3.11Å; V57-A290 HydrophobicContact CG2-CB 3.87Å |
| 58 | A | 95.9 | Very high | 93.9 | Very high | 50 Ų | 50 | 24.6 Ų | 24.6 | 41% | 0.413 | 15% | 0.149 | S | C | . | . | I | π-helix | trans | -68.8 | -32.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | L22 M54 L55 A62 | L22-A58 HydrophobicContact CD2-CB 4.17Å; M54-A58 VanDerWaalsContact O-CB 3.23Å; M54-A58 WeakPolarHBondContact O-CB 3.46Å; M54-A58 PolarHBondContact O-N 2.99Å; L55-A58 PolarHBondContact O-N 2.69Å; A58-A62 WeakPolarHBondContact O-CB 3.31Å |
| 59 | V | 94.6 | Very high | 93.4 | Very high | 46 Ų | 46 | 25 Ų | 25 | 28% | 0.279 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -103.1 | -84.7 | -178.6 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | L55 V57 I61 A62 T63 T89 | L55-V59 HydrophobicContact CD1-CG2 3.74Å; L55-V59 HydrophobicContact CG-CG2 4.47Å; L55-V59 PolarHBondContact O-N 3.43Å; V57-V59 PolarHBondContact O-N 3.04Å; V59-I61 PolarHBondContact O-N 2.81Å; V59-A62 PolarHBondContact O-N 2.82Å; V59-T63 WeakPolarHBondContact O-CB 3.46Å; V59-T63 PolarHBondContact O-N 3.44Å; V59-T63 PolarHBondContact O-OG1 3.44Å; V59-T89 HydrophobicContact CB-CG2 4.2Å; V59-T89 HydrophobicContact CG1-CG2 3.85Å |
| 60 | P | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -64.8 | -42.9 | -169.1 | 23.6 | -33 | 0 | 0 | 0 | 114 | N56 T63 Y64 F86 T89 F90 L93 | N56-P60 WeakPolarHBondContact O-CD 3.31Å; N56-P60 VanDerWaalsContact O-CG 3.24Å; N56-P60 WeakPolarHBondContact O-CG 3.34Å; N56-P60 VanDerWaalsContact OD1-CG 3.32Å; N56-P60 WeakPolarHBondContact OD1-CG 3.5Å; P60-T63 PolarHBondContact O-N 2.92Å; P60-Y64 WeakPolarHBondContact O-CB 3.5Å; P60-Y64 PolarHBondContact O-N 2.99Å; P60-F86 HydrophobicContact CB-CD2 3.77Å; P60-F86 HydrophobicContact CB-CE2 3.65Å; P60-F86 VanDerWaalsContact O-CE2 3.3Å; P60-F86 WeakPolarHBondContact O-CE2 3.37Å; P60-T89 HydrophobicContact CG-CG2 4.41Å; P60-F90 HydrophobicContact CB-CB 3.99Å; P60-F90 HydrophobicContact CB-CD2 4.21Å; P60-F90 HydrophobicContact CG-CB 4.49Å; P60-F90 HydrophobicContact CG-CD2 4.48Å; P60-L93 HydrophobicContact CG-CD1 4.18Å |
| 61 | I | 93.6 | Very high | 92 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -64.8 | -45.7 | 179.7 | -57.8 | -59.4 | 0 | 0 | 0 | 111.1 | W14 N56 V59 S65 L283 V287 | W14-I61 HydrophobicContact CB-CG2 3.93Å; N56-I61 WeakPolarHBondContact O-CG1 3.47Å; N56-I61 PolarHBondContact O-N 2.86Å; V59-I61 PolarHBondContact O-N 2.81Å; I61-S65 WeakPolarHBondContact O-CB 3.36Å; I61-S65 PolarHBondContact O-N 3.27Å; I61-S65 PolarHBondContact O-OG 2.96Å; I61-L283 HydrophobicContact CD1-CB 4.46Å; I61-L283 HydrophobicContact CD1-CD2 3.51Å; I61-V287 HydrophobicContact CD1-CG2 4.24Å; I61-V287 HydrophobicContact CG1-CG2 4.23Å; I61-V287 HydrophobicContact CG2-CG2 3.85Å |
| 62 | A | 93.9 | Very high | 90.8 | Very high | 27 Ų | 27 | 41.6 Ų | 41.6 | 22% | 0.223 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -48.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | V57 A58 V59 Y64 S65 V66 | V57-A62 WeakPolarHBondContact O-CB 3.37Å; V57-A62 PolarHBondContact O-N 2.95Å; V57-A62 VanDerWaalsContact O-N 3.11Å; A58-A62 WeakPolarHBondContact O-CB 3.31Å; V59-A62 PolarHBondContact O-N 2.82Å; A62-Y64 PolarHBondContact O-N 3.25Å; A62-S65 PolarHBondContact O-N 3.31Å; A62-V66 WeakPolarHBondContact O-CB 3.39Å; A62-V66 VanDerWaalsContact O-CG2 3.31Å; A62-V66 WeakPolarHBondContact O-CG2 3.37Å; A62-V66 PolarHBondContact O-N 2.97Å |
| 63 | T | 91.8 | Very high | 89.7 | Confident | 43 Ų | 43 | 50 Ų | 50 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.9 | -50.3 | 177.4 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | V59 P60 S65 V66 V67 W78 | V59-T63 WeakPolarHBondContact O-CB 3.46Å; V59-T63 PolarHBondContact O-N 3.44Å; V59-T63 PolarHBondContact O-OG1 3.44Å; P60-T63 PolarHBondContact O-N 2.92Å; T63-S65 VanDerWaalsContact C-N 3.35Å; T63-S65 PolarHBondContact O-N 2.85Å; T63-V66 PolarHBondContact O-N 2.96Å; T63-V67 HydrophobicContact CG2-CG2 4.47Å; T63-V67 VanDerWaalsContact O-CG2 3.32Å; T63-V67 WeakPolarHBondContact O-CG2 3.4Å; T63-V67 PolarHBondContact O-N 3.49Å; T63-W78 HydrophobicContact CG2-CH2 4.35Å; T63-W78 HydrophobicContact CG2-CZ3 4.33Å |
| 64 | Y | 89.6 | Confident | 88.3 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 179.6 | -170.1 | -94.2 | 0 | 0 | 0 | 111.7 | W14 P60 A62 V67 Q68 W78 F86 F163 L283 | W14-Y64 HydrophobicContact CE3-CD1 4.19Å; W14-Y64 HydrophobicContact CH2-CD1 4.33Å; W14-Y64 AromaticContact CH2-CE1 3.88Å; W14-Y64 HydrophobicContact CH2-CE1 3.88Å; W14-Y64 AromaticContact CZ3-CD1 3.73Å; W14-Y64 HydrophobicContact CZ3-CD1 3.73Å; W14-Y64 AromaticContact CZ3-CE1 3.64Å; W14-Y64 HydrophobicContact CZ3-CE1 3.64Å; P60-Y64 WeakPolarHBondContact O-CB 3.5Å; P60-Y64 PolarHBondContact O-N 2.99Å; A62-Y64 PolarHBondContact O-N 3.25Å; Y64-V67 PolarHBondContact O-N 2.77Å; Y64-Q68 HydrophobicContact CD1-CG 3.91Å; Y64-Q68 HydrophobicContact CE1-CG 3.64Å; Y64-Q68 WeakPolarHBondContact O-CB 3.42Å; Y64-Q68 WeakPolarHBondContact O-CG 3.38Å; Y64-Q68 PolarHBondContact O-N 2.84Å; Y64-Q68 PolarHBondContact OH-NE2 2.91Å; Y64-W78 HydrophobicContact CD2-CH2 4.4Å; Y64-W78 AromaticContact CD2-CZ2 4Å; Y64-W78 HydrophobicContact CD2-CZ2 4Å; Y64-W78 HydrophobicContact CE2-CZ2 4.45Å; Y64-F86 HydrophobicContact CD2-CE1 4.1Å; Y64-F86 HydrophobicContact CD2-CE2 4.26Å; Y64-F86 AromaticContact CD2-CZ 3.65Å; Y64-F86 HydrophobicContact CD2-CZ 3.65Å; Y64-F86 HydrophobicContact CG-CE2 4.48Å; Y64-F86 HydrophobicContact CG-CZ 4.23Å; Y64-F163 HydrophobicContact CD2-CE1 4.28Å; Y64-F163 HydrophobicContact CE2-CD1 4.25Å; Y64-F163 AromaticContact CE2-CE1 3.8Å; Y64-F163 HydrophobicContact CE2-CE1 3.8Å; Y64-L283 HydrophobicContact CD1-CD1 3.43Å; Y64-L283 VanDerWaalsContact CD1-CD1 3.43Å; Y64-L283 HydrophobicContact CE1-CD1 3.28Å; Y64-L283 HydrophobicContact CE2-CD1 4.43Å; Y64-L283 HydrophobicContact CG-CD1 4.08Å |
| 65 | S | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -43.6 | 179.9 | -53.5 | 0 | 0 | 0 | 0 | 112.4 | W14 I61 A62 T63 Q68 L69 | W14-S65 WeakPolarHBondContact CB-OG 3.48Å; I61-S65 WeakPolarHBondContact O-CB 3.36Å; I61-S65 PolarHBondContact O-N 3.27Å; I61-S65 PolarHBondContact O-OG 2.96Å; A62-S65 PolarHBondContact O-N 3.31Å; T63-S65 VanDerWaalsContact C-N 3.35Å; T63-S65 PolarHBondContact O-N 2.85Å; S65-Q68 PolarHBondContact O-N 3.41Å; S65-L69 WeakPolarHBondContact O-CG 3.31Å; S65-L69 PolarHBondContact O-N 2.96Å |
| 66 | V | 90.1 | Very high | 86.1 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 44% | 0.436 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | A62 T63 Q68 L69 R70 | A62-V66 WeakPolarHBondContact O-CB 3.39Å; A62-V66 VanDerWaalsContact O-CG2 3.31Å; A62-V66 WeakPolarHBondContact O-CG2 3.37Å; A62-V66 PolarHBondContact O-N 2.97Å; T63-V66 PolarHBondContact O-N 2.96Å; V66-Q68 PolarHBondContact O-N 3.2Å; V66-L69 PolarHBondContact O-N 3.37Å; V66-R70 HydrophobicContact CG1-CG 4.16Å; V66-R70 WeakPolarHBondContact O-CB 3.49Å; V66-R70 WeakPolarHBondContact O-CG 3.43Å; V66-R70 PolarHBondContact O-N 2.89Å |
| 67 | V | 87 | Confident | 85.3 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.048 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | T63 Y64 L69 R70 R71 F76 W78 | T63-V67 HydrophobicContact CG2-CG2 4.47Å; T63-V67 VanDerWaalsContact O-CG2 3.32Å; T63-V67 WeakPolarHBondContact O-CG2 3.4Å; T63-V67 PolarHBondContact O-N 3.49Å; Y64-V67 PolarHBondContact O-N 2.77Å; V67-L69 VanDerWaalsContact C-N 3.32Å; V67-L69 PolarHBondContact O-N 3.33Å; V67-R70 PolarHBondContact O-N 3.46Å; V67-R70 VanDerWaalsContact O-N 3.15Å; V67-R71 WeakPolarHBondContact O-CB 3.45Å; V67-R71 PolarHBondContact O-N 2.97Å; V67-F76 HydrophobicContact CB-CE1 4.35Å; V67-F76 HydrophobicContact CG1-CE1 4.02Å; V67-F76 HydrophobicContact CG2-CE1 4.16Å; V67-W78 HydrophobicContact CB-CH2 4.27Å; V67-W78 HydrophobicContact CB-CZ2 3.86Å; V67-W78 HydrophobicContact CG1-CD2 3.92Å; V67-W78 HydrophobicContact CG1-CG 4.27Å; V67-W78 HydrophobicContact CG1-CH2 4.42Å; V67-W78 HydrophobicContact CG1-CZ2 3.67Å; V67-W78 HydrophobicContact CG2-CE3 4.44Å; V67-W78 HydrophobicContact CG2-CH2 4.04Å; V67-W78 HydrophobicContact CG2-CZ2 4.11Å; V67-W78 HydrophobicContact CG2-CZ3 4.21Å |
| 68 | Q | 85.3 | Confident | 84.6 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 13% | 0.131 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.9 | -33 | 177.8 | -68.1 | -75.4 | 68 | 0 | 0 | 113.1 | A11 Y64 S65 V66 | A11-Q68 HydrophobicContact CB-CB 4.15Å; Y64-Q68 HydrophobicContact CD1-CG 3.91Å; Y64-Q68 HydrophobicContact CE1-CG 3.64Å; Y64-Q68 WeakPolarHBondContact O-CB 3.42Å; Y64-Q68 WeakPolarHBondContact O-CG 3.38Å; Y64-Q68 PolarHBondContact O-N 2.84Å; Y64-Q68 PolarHBondContact OH-NE2 2.91Å; S65-Q68 PolarHBondContact O-N 3.41Å; V66-Q68 PolarHBondContact O-N 3.2Å |
| 69 | L | 86.5 | Confident | 84 | Confident | 55 Ų | 55 | 69.8 Ų | 69.8 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71 | -40.6 | 170.6 | -70.5 | 172 | 0 | 0 | 0 | 112.1 | A11 V12 L15 S65 V66 V67 Q72 | A11-L69 HydrophobicContact CB-CD2 4.09Å; A11-L69 HydrophobicContact CB-CG 3.95Å; V12-L69 HydrophobicContact CG2-CD2 4.07Å; L15-L69 HydrophobicContact CD1-CD1 3.63Å; S65-L69 WeakPolarHBondContact O-CG 3.31Å; S65-L69 PolarHBondContact O-N 2.96Å; V66-L69 PolarHBondContact O-N 3.37Å; V67-L69 VanDerWaalsContact C-N 3.32Å; V67-L69 PolarHBondContact O-N 3.33Å; L69-Q72 WeakPolarHBondContact O-CB 3.39Å; L69-Q72 WeakPolarHBondContact O-CG 3.48Å; L69-Q72 PolarHBondContact O-N 3.07Å |
| 70 | R | 85.4 | Confident | 83.4 | Confident | 128 Ų | 128 | 71.9 Ų | 71.9 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.7 | -31.1 | -178.8 | -71 | -71.3 | -66.4 | -102.4 | -3.1 | 113 | V66 V67 Q72 R73 F76 | V66-R70 HydrophobicContact CG1-CG 4.16Å; V66-R70 WeakPolarHBondContact O-CB 3.49Å; V66-R70 WeakPolarHBondContact O-CG 3.43Å; V66-R70 PolarHBondContact O-N 2.89Å; V67-R70 PolarHBondContact O-N 3.46Å; V67-R70 VanDerWaalsContact O-N 3.15Å; R70-Q72 PolarHBondContact O-N 2.83Å; R70-Q72 VanDerWaalsContact O-N 3.12Å; R70-R73 PolarHBondContact O-N 2.96Å; R70-F76 HydrophobicContact CB-CD1 3.4Å; R70-F76 HydrophobicContact CB-CD2 4.49Å; R70-F76 HydrophobicContact CB-CE1 3.59Å; R70-F76 HydrophobicContact CB-CG 3.89Å; R70-F76 HydrophobicContact CB-CZ 4.23Å; R70-F76 HydrophobicContact CG-CE1 4.4Å |
| 71 | R | 78.2 | Confident | 82.9 | Confident | 134 Ų | 134 | 73.5 Ų | 73.5 | 51% | 0.506 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -6.7 | 174.8 | -159.4 | 176.1 | -171.3 | 175.9 | 5 | 114.1 | V67 R73 | V67-R71 WeakPolarHBondContact O-CB 3.45Å; V67-R71 PolarHBondContact O-N 2.97Å; R71-R73 PolarHBondContact O-N 2.71Å |
| 72 | Q | 70.8 | Confident | 82.5 | Confident | 124 Ų | 124 | 77.6 Ų | 77.6 | 58% | 0.579 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17 | 164.7 | -63.5 | 179.6 | 19.1 | 0 | 0 | 112.7 | L69 R70 | L69-Q72 WeakPolarHBondContact O-CB 3.39Å; L69-Q72 WeakPolarHBondContact O-CG 3.48Å; L69-Q72 PolarHBondContact O-N 3.07Å; R70-Q72 PolarHBondContact O-N 2.83Å; R70-Q72 VanDerWaalsContact O-N 3.12Å |
| 73 | R | 74.7 | Confident | 82.2 | Confident | 178 Ų | 178 | 76.4 Ų | 76.4 | 67% | 0.672 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -93.7 | 133.3 | 167.1 | -60.2 | -167.4 | -178.2 | -165.7 | 0.8 | 109.1 | R70 R71 D75 F76 | R70-R73 PolarHBondContact O-N 2.96Å; R71-R73 PolarHBondContact O-N 2.71Å; R73-D75 PolarHBondContact O-N 2.91Å; R73-F76 PolarHBondContact O-N 3.5Å |
| 74 | P | 66.6 | Low | 81.9 | Confident | 120 Ų | 120 | 77.1 Ų | 77.1 | 78% | 0.779 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -25.9 | -173 | 25.7 | -34.6 | 0 | 0 | 0 | 113.5 | F76 | P74-F76 PolarHBondContact O-N 3.49Š|
| 75 | D | 73.9 | Confident | 81.9 | Confident | 148 Ų | 148 | 80.2 Ų | 80.2 | 79% | 0.791 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 3.9 | -173 | -36.4 | -64.1 | 0 | 0 | 0 | 114.3 | R73 | R73-D75 PolarHBondContact O-N 2.91Š|
| 76 | F | 74.6 | Confident | 81.9 | Confident | 60 Ų | 60 | 80.3 Ų | 80.3 | 26% | 0.263 | 40% | 0.396 | S | S | . | . | trans | -109 | 99.6 | -174.6 | -168.5 | -96.1 | 0 | 0 | 0 | 113.1 | V67 R70 R73 P74 | V67-F76 HydrophobicContact CB-CE1 4.35Å; V67-F76 HydrophobicContact CG1-CE1 4.02Å; V67-F76 HydrophobicContact CG2-CE1 4.16Å; R70-F76 HydrophobicContact CB-CD1 3.4Å; R70-F76 HydrophobicContact CB-CD2 4.49Å; R70-F76 HydrophobicContact CB-CE1 3.59Å; R70-F76 HydrophobicContact CB-CG 3.89Å; R70-F76 HydrophobicContact CB-CZ 4.23Å; R70-F76 HydrophobicContact CG-CE1 4.4Å; R73-F76 PolarHBondContact O-N 3.5Å; P74-F76 PolarHBondContact O-N 3.49Å | ||
| 77 | E | 77.9 | Confident | 81.8 | Confident | 146 Ų | 146 | 77 Ų | 77 | 68% | 0.682 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -102.7 | 167.7 | 174.4 | -59.1 | -157.5 | 127.2 | 0 | 0 | 113 | N79 | E77-N79 PolarHBondContact O-N 3.4Š|
| 78 | W | 82.1 | Confident | 82 | Confident | 26 Ų | 26 | 77.2 Ų | 77.2 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -71 | 125.9 | 174.1 | -82.6 | 91.5 | 0 | 0 | 0 | 110.6 | T63 Y64 V67 C83 F86 C161 | T63-W78 HydrophobicContact CG2-CH2 4.35Å; T63-W78 HydrophobicContact CG2-CZ3 4.33Å; Y64-W78 HydrophobicContact CD2-CH2 4.4Å; Y64-W78 AromaticContact CD2-CZ2 4Å; Y64-W78 HydrophobicContact CD2-CZ2 4Å; Y64-W78 HydrophobicContact CE2-CZ2 4.45Å; V67-W78 HydrophobicContact CB-CH2 4.27Å; V67-W78 HydrophobicContact CB-CZ2 3.86Å; V67-W78 HydrophobicContact CG1-CD2 3.92Å; V67-W78 HydrophobicContact CG1-CG 4.27Å; V67-W78 HydrophobicContact CG1-CH2 4.42Å; V67-W78 HydrophobicContact CG1-CZ2 3.67Å; V67-W78 HydrophobicContact CG2-CE3 4.44Å; V67-W78 HydrophobicContact CG2-CH2 4.04Å; V67-W78 HydrophobicContact CG2-CZ2 4.11Å; V67-W78 HydrophobicContact CG2-CZ3 4.21Å; W78-C83 HydrophobicContact CE3-CB 4.12Å; W78-F86 HydrophobicContact CH2-CB 4.41Å; W78-F86 AromaticContact CH2-CD1 3.95Å; W78-F86 HydrophobicContact CH2-CD1 3.95Å; W78-F86 HydrophobicContact CH2-CD2 4.5Å; W78-F86 HydrophobicContact CH2-CE1 4.37Å; W78-F86 HydrophobicContact CH2-CG 4.02Å; W78-F86 HydrophobicContact CZ3-CB 4.11Å; W78-F86 HydrophobicContact CZ3-CD1 4.25Å; W78-F86 HydrophobicContact CZ3-CG 4.2Å; W78-C161 HydrophobicContact CB-CB 4.14Å; W78-C161 HydrophobicContact CD2-CB 3.23Å; W78-C161 VanDerWaalsContact CE2-CB 3.45Å; W78-C161 HydrophobicContact CE3-CB 3.58Å; W78-C161 HydrophobicContact CG-CB 3.5Å; W78-C161 HydrophobicContact CH2-CB 4.28Å; W78-C161 HydrophobicContact CZ2-CB 4Å; W78-C161 HydrophobicContact CZ3-CB 4.09Å |
| 79 | N | 82.8 | Confident | 82.4 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 53% | 0.529 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 136.4 | 166 | -176.9 | -58.4 | 0 | 0 | 0 | 109.8 | E77 G81 L82 C83 | E77-N79 PolarHBondContact O-N 3.4Å; N79-G81 VanDerWaalsContact C-N 3.31Å; N79-G81 PolarHBondContact O-N 3.1Å; N79-G81 PolarHBondContact OD1-N 3.45Å; N79-L82 HydrophobicContact CB-CB 4.17Å; N79-L82 HydrophobicContact CB-CD1 3.96Å; N79-L82 HydrophobicContact CB-CG 4Å; N79-L82 PolarHBondContact O-N 3.48Å; N79-L82 VanDerWaalsContact O-N 3.11Å; N79-C83 PolarHBondContact O-N 3.05Å |
| 80 | E | 82.4 | Confident | 82.7 | Confident | 90 Ų | 90 | 75 Ų | 75 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -50.6 | -47.1 | 177.4 | 166 | 170.1 | -172.5 | 0 | 0 | 112.7 | C83 K84 Y157 | E80-C83 PolarHBondContact O-N 3.35Å; E80-K84 HydrophobicContact CG-CD 4.23Å; E80-K84 WeakPolarHBondContact O-CG 3.4Å; E80-K84 PolarHBondContact O-N 2.75Å; E80-K84 VanDerWaalsContact OE1-CE 3.23Å; E80-K84 WeakPolarHBondContact OE1-CE 3.33Å; E80-K84 IonicContact OE1-NZ 2.63Å; E80-K84 PolarHBondContact OE1-NZ 2.84Å; E80-Y157 HydrophobicContact CG-CG 4.14Å |
| 81 | G | 83.5 | Confident | 83.1 | Confident | 34 Ų | 34 | 69.3 Ų | 69.3 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | N79 K84 V85 | N79-G81 VanDerWaalsContact C-N 3.31Å; N79-G81 PolarHBondContact O-N 3.1Å; N79-G81 PolarHBondContact OD1-N 3.45Å; G81-K84 PolarHBondContact O-N 3.31Å; G81-V85 WeakPolarHBondContact O-CG2 3.23Å; G81-V85 PolarHBondContact O-N 3.44Å |
| 82 | L | 85.3 | Confident | 84 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 175.2 | -68.8 | 178.9 | 0 | 0 | 0 | 111.6 | N79 F86 | N79-L82 HydrophobicContact CB-CB 4.17Å; N79-L82 HydrophobicContact CB-CD1 3.96Å; N79-L82 HydrophobicContact CB-CG 4Å; N79-L82 PolarHBondContact O-N 3.48Å; N79-L82 VanDerWaalsContact O-N 3.11Å; L82-F86 WeakPolarHBondContact O-CB 3.4Å; L82-F86 PolarHBondContact O-N 3.35Å |
| 83 | C | 86.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 175.8 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | W78 N79 E80 V85 F86 V87 Y157 C161 | W78-C83 HydrophobicContact CE3-CB 4.12Å; N79-C83 PolarHBondContact O-N 3.05Å; E80-C83 PolarHBondContact O-N 3.35Å; C83-V85 PolarHBondContact O-N 2.79Å; C83-F86 PolarHBondContact O-N 2.92Å; C83-V87 WeakPolarHBondContact O-CB 3.28Å; C83-V87 VanDerWaalsContact O-CG2 3.24Å; C83-V87 WeakPolarHBondContact O-CG2 3.28Å; C83-V87 PolarHBondContact O-N 3.25Å; C83-Y157 HydrophobicContact CB-CD1 3.83Å; C83-Y157 HydrophobicContact CB-CE1 4.34Å; C83-Y157 VanDerWaalsContact SG-CD1 3.55Å; C83-C161 WeakPolarHBondContact CA-SG 3.44Å; C83-C161 HydrophobicContact CB-CB 3.66Å; C83-C161 WeakPolarHBondContact CB-SG 3.48Å; C83-C161 WeakPolarHBondContact SG-CA 3.09Å; C83-C161 WeakPolarHBondContact SG-CB 3.4Å; C83-C161 CovalentContact SG-SG 2.03Å; C83-C161 PolarHBondContact SG-SG 3.45Å |
| 84 | K | 87.1 | Confident | 86.1 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56 | -48.9 | 174.6 | -76.5 | 176.8 | -175.3 | 178 | 0 | 112.2 | E80 G81 S88 A146 Y157 | E80-K84 HydrophobicContact CG-CD 4.23Å; E80-K84 WeakPolarHBondContact O-CG 3.4Å; E80-K84 PolarHBondContact O-N 2.75Å; E80-K84 VanDerWaalsContact OE1-CE 3.23Å; E80-K84 WeakPolarHBondContact OE1-CE 3.33Å; E80-K84 IonicContact OE1-NZ 2.63Å; E80-K84 PolarHBondContact OE1-NZ 2.84Å; G81-K84 PolarHBondContact O-N 3.31Å; K84-S88 VanDerWaalsContact O-CB 3.28Å; K84-S88 WeakPolarHBondContact O-CB 3.27Å; K84-S88 PolarHBondContact O-N 2.79Å; K84-A146 HydrophobicContact CB-CB 4.45Å; K84-A146 HydrophobicContact CG-CB 4.49Å; K84-Y157 HydrophobicContact CB-CE1 4.28Å; K84-Y157 HydrophobicContact CD-CD2 4.39Å; K84-Y157 HydrophobicContact CD-CE2 4.18Å; K84-Y157 HydrophobicContact CG-CD1 3.83Å; K84-Y157 HydrophobicContact CG-CD2 4.12Å; K84-Y157 HydrophobicContact CG-CE1 3.43Å; K84-Y157 VanDerWaalsContact CG-CE1 3.43Å; K84-Y157 HydrophobicContact CG-CE2 3.74Å; K84-Y157 HydrophobicContact CG-CG 4.16Å |
| 85 | V | 88.3 | Confident | 87.4 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 53% | 0.527 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.6 | -45.1 | 178.3 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | G81 C83 T89 | G81-V85 WeakPolarHBondContact O-CG2 3.23Å; G81-V85 PolarHBondContact O-N 3.44Å; C83-V85 PolarHBondContact O-N 2.79Å; V85-T89 VanDerWaalsContact O-CB 3.24Å; V85-T89 WeakPolarHBondContact O-CB 3.27Å; V85-T89 PolarHBondContact O-N 3.26Å; V85-T89 PolarHBondContact O-OG1 3.35Å |
| 86 | F | 90.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -52.6 | 177.4 | 167 | -107 | 0 | 0 | 0 | 112 | P60 Y64 W78 L82 C83 T89 F90 F163 | P60-F86 HydrophobicContact CB-CD2 3.77Å; P60-F86 HydrophobicContact CB-CE2 3.65Å; P60-F86 VanDerWaalsContact O-CE2 3.3Å; P60-F86 WeakPolarHBondContact O-CE2 3.37Å; Y64-F86 HydrophobicContact CD2-CE1 4.1Å; Y64-F86 HydrophobicContact CD2-CE2 4.26Å; Y64-F86 AromaticContact CD2-CZ 3.65Å; Y64-F86 HydrophobicContact CD2-CZ 3.65Å; Y64-F86 HydrophobicContact CG-CE2 4.48Å; Y64-F86 HydrophobicContact CG-CZ 4.23Å; W78-F86 HydrophobicContact CH2-CB 4.41Å; W78-F86 AromaticContact CH2-CD1 3.95Å; W78-F86 HydrophobicContact CH2-CD1 3.95Å; W78-F86 HydrophobicContact CH2-CD2 4.5Å; W78-F86 HydrophobicContact CH2-CE1 4.37Å; W78-F86 HydrophobicContact CH2-CG 4.02Å; W78-F86 HydrophobicContact CZ3-CB 4.11Å; W78-F86 HydrophobicContact CZ3-CD1 4.25Å; W78-F86 HydrophobicContact CZ3-CG 4.2Å; L82-F86 WeakPolarHBondContact O-CB 3.4Å; L82-F86 PolarHBondContact O-N 3.35Å; C83-F86 PolarHBondContact O-N 2.92Å; F86-T89 PolarHBondContact O-N 3.39Å; F86-F90 VanDerWaalsContact O-CB 3.22Å; F86-F90 WeakPolarHBondContact O-CB 3.3Å; F86-F90 PolarHBondContact O-N 3.01Å; F86-F163 HydrophobicContact CD1-CB 4.42Å; F86-F163 HydrophobicContact CE1-CB 3.75Å; F86-F163 AromaticContact CE1-CD1 3.59Å; F86-F163 HydrophobicContact CE1-CD1 3.59Å; F86-F163 HydrophobicContact CE1-CD2 4.48Å; F86-F163 HydrophobicContact CE1-CE1 4.29Å; F86-F163 AromaticContact CE1-CG 3.7Å; F86-F163 HydrophobicContact CE1-CG 3.7Å; F86-F163 AromaticContact CZ-CD1 3.94Å; F86-F163 HydrophobicContact CZ-CD1 3.94Å; F86-F163 HydrophobicContact CZ-CE1 4.19Å; F86-F163 HydrophobicContact CZ-CG 4.14Å |
| 87 | V | 89.4 | Confident | 89.6 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.7 | -54.1 | 178.9 | 170.5 | 0 | 0 | 0 | 0 | 110.2 | C83 T89 F90 Y91 F163 I168 | C83-V87 WeakPolarHBondContact O-CB 3.28Å; C83-V87 VanDerWaalsContact O-CG2 3.24Å; C83-V87 WeakPolarHBondContact O-CG2 3.28Å; C83-V87 PolarHBondContact O-N 3.25Å; V87-T89 VanDerWaalsContact C-N 3.33Å; V87-T89 PolarHBondContact O-N 3.48Å; V87-F90 PolarHBondContact O-N 3.21Å; V87-Y91 HydrophobicContact CG1-CD2 3.8Å; V87-Y91 HydrophobicContact CG1-CE2 3.95Å; V87-Y91 VanDerWaalsContact O-CD2 3.26Å; V87-Y91 WeakPolarHBondContact O-CD2 3.31Å; V87-Y91 PolarHBondContact O-N 2.71Å; V87-F163 HydrophobicContact CG2-CB 3.82Å; V87-I168 HydrophobicContact CG1-CD1 4.14Å |
| 88 | S | 90.8 | Very high | 90.4 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.7 | -42.2 | -178.1 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | K84 T92 S142 | K84-S88 VanDerWaalsContact O-CB 3.28Å; K84-S88 WeakPolarHBondContact O-CB 3.27Å; K84-S88 PolarHBondContact O-N 2.79Å; S88-T92 VanDerWaalsContact O-CB 3.29Å; S88-T92 WeakPolarHBondContact O-CB 3.23Å; S88-T92 PolarHBondContact O-N 2.89Å; S88-T92 PolarHBondContact O-OG1 3.07Å; S88-S142 WeakPolarHBondContact O-CB 3.34Å; S88-S142 PolarHBondContact OG-O 3.27Å |
| 89 | T | 93.6 | Very high | 91.1 | Very high | 33 Ų | 33 | 28 Ų | 28 | 20% | 0.202 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.6 | -41.3 | 179.4 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | V59 P60 V85 F86 V87 Y91 T92 L93 | V59-T89 HydrophobicContact CB-CG2 4.2Å; V59-T89 HydrophobicContact CG1-CG2 3.85Å; P60-T89 HydrophobicContact CG-CG2 4.41Å; V85-T89 VanDerWaalsContact O-CB 3.24Å; V85-T89 WeakPolarHBondContact O-CB 3.27Å; V85-T89 PolarHBondContact O-N 3.26Å; V85-T89 PolarHBondContact O-OG1 3.35Å; F86-T89 PolarHBondContact O-N 3.39Å; V87-T89 VanDerWaalsContact C-N 3.33Å; V87-T89 PolarHBondContact O-N 3.48Å; T89-Y91 PolarHBondContact O-N 3.48Å; T89-T92 PolarHBondContact O-N 2.97Å; T89-L93 HydrophobicContact CG2-CD1 3.62Å; T89-L93 HydrophobicContact CG2-CG 4.18Å; T89-L93 WeakPolarHBondContact O-CB 3.39Å; T89-L93 VanDerWaalsContact O-CG 3.27Å; T89-L93 WeakPolarHBondContact O-CG 3.27Å; T89-L93 PolarHBondContact O-N 3.47Å |
| 90 | F | 93.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.022 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | 177 | 177.4 | -95.7 | 0 | 0 | 0 | 112.1 | P60 F86 V87 T94 F163 V282 | P60-F90 HydrophobicContact CB-CB 3.99Å; P60-F90 HydrophobicContact CB-CD2 4.21Å; P60-F90 HydrophobicContact CG-CB 4.49Å; P60-F90 HydrophobicContact CG-CD2 4.48Å; F86-F90 VanDerWaalsContact O-CB 3.22Å; F86-F90 WeakPolarHBondContact O-CB 3.3Å; F86-F90 PolarHBondContact O-N 3.01Å; V87-F90 PolarHBondContact O-N 3.21Å; F90-T94 WeakPolarHBondContact O-CB 3.37Å; F90-T94 PolarHBondContact O-N 3.37Å; F90-T94 PolarHBondContact O-OG1 2.88Å; F90-F163 AromaticContact CD1-CD2 3.95Å; F90-F163 HydrophobicContact CD1-CD2 3.95Å; F90-F163 HydrophobicContact CD1-CE2 4.2Å; F90-F163 HydrophobicContact CE1-CD2 4.07Å; F90-F163 AromaticContact CE1-CE2 3.95Å; F90-F163 HydrophobicContact CE1-CE2 3.95Å; F90-F163 HydrophobicContact CZ-CE2 4.21Å; F90-V282 HydrophobicContact CE1-CG1 4.25Å; F90-V282 HydrophobicContact CE2-CG1 4.28Å; F90-V282 HydrophobicContact CZ-CG1 3.45Å; F90-V282 VanDerWaalsContact CZ-CG1 3.45Å |
| 91 | Y | 93.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 19.4 Ų | 19.4 | 3% | 0.027 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.3 | -37.3 | 176.3 | -77 | -71.6 | 0 | 0 | 0 | 112.4 | V87 T89 L93 T94 L95 S142 F163 V165 I168 F172 F176 | V87-Y91 HydrophobicContact CG1-CD2 3.8Å; V87-Y91 HydrophobicContact CG1-CE2 3.95Å; V87-Y91 VanDerWaalsContact O-CD2 3.26Å; V87-Y91 WeakPolarHBondContact O-CD2 3.31Å; V87-Y91 PolarHBondContact O-N 2.71Å; T89-Y91 PolarHBondContact O-N 3.48Å; Y91-L93 PolarHBondContact O-N 3.29Å; Y91-T94 WeakPolarHBondContact O-CB 3.16Å; Y91-T94 PolarHBondContact O-N 2.9Å; Y91-L95 PolarHBondContact O-N 3.45Å; Y91-S142 PolarHBondContact O-OG 3.15Å; Y91-F163 WeakPolarHBondContact CE2-O 3.29Å; Y91-F163 PolarHBondContact OH-O 3.41Å; Y91-V165 HydrophobicContact CE1-CG2 3.92Å; Y91-V165 WeakPolarHBondContact OH-CG2 3.47Å; Y91-V165 PolarHBondContact OH-N 2.81Å; Y91-I168 HydrophobicContact CD2-CD1 4.42Å; Y91-I168 HydrophobicContact CE2-CD1 3.55Å; Y91-F172 HydrophobicContact CD1-CE1 4.36Å; Y91-F172 HydrophobicContact CD1-CZ 4.29Å; Y91-F172 HydrophobicContact CD2-CE1 4.44Å; Y91-F172 HydrophobicContact CD2-CZ 4.46Å; Y91-F172 HydrophobicContact CE1-CE1 4.37Å; Y91-F172 HydrophobicContact CE2-CE1 4.48Å; Y91-F172 HydrophobicContact CG-CE1 4.41Å; Y91-F172 HydrophobicContact CG-CZ 4.16Å; Y91-F176 AromaticContact CD1-CD2 3.89Å; Y91-F176 HydrophobicContact CD1-CD2 3.89Å; Y91-F176 HydrophobicContact CD1-CE1 4.22Å; Y91-F176 AromaticContact CD1-CE2 3.51Å; Y91-F176 HydrophobicContact CD1-CE2 3.51Å; Y91-F176 HydrophobicContact CD1-CG 4.39Å; Y91-F176 AromaticContact CD1-CZ 3.69Å; Y91-F176 HydrophobicContact CD1-CZ 3.69Å; Y91-F176 HydrophobicContact CE1-CD1 4.19Å; Y91-F176 HydrophobicContact CE1-CD2 4.32Å; Y91-F176 AromaticContact CE1-CE1 3.83Å; Y91-F176 HydrophobicContact CE1-CE1 3.83Å; Y91-F176 HydrophobicContact CE1-CE2 4Å; Y91-F176 HydrophobicContact CE1-CG 4.41Å; Y91-F176 AromaticContact CE1-CZ 3.73Å; Y91-F176 HydrophobicContact CE1-CZ 3.73Å |
| 92 | T | 96 | Very high | 93 | Very high | 7 Ų | 7 | 19 Ų | 19 | 4% | 0.043 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.2 | -49.6 | 175.8 | -62.9 | 0 | 0 | 0 | 0 | 110.7 | S88 T89 T94 L95 A96 S138 F139 S142 | S88-T92 VanDerWaalsContact O-CB 3.29Å; S88-T92 WeakPolarHBondContact O-CB 3.23Å; S88-T92 PolarHBondContact O-N 2.89Å; S88-T92 PolarHBondContact O-OG1 3.07Å; T89-T92 PolarHBondContact O-N 2.97Å; T92-T94 VanDerWaalsContact C-N 3.35Å; T92-L95 PolarHBondContact O-N 3.3Å; T92-A96 WeakPolarHBondContact O-CB 3.15Å; T92-A96 PolarHBondContact O-N 3.01Å; T92-S138 WeakPolarHBondContact O-CB 3.27Å; T92-F139 HydrophobicContact CG2-CB 4.1Å; T92-S142 VanDerWaalsContact CA-OG 3.29Å; T92-S142 WeakPolarHBondContact CA-OG 3.43Å; T92-S142 PolarHBondContact N-OG 3.31Å; T92-S142 VanDerWaalsContact OG1-CB 3.24Å; T92-S142 WeakPolarHBondContact OG1-CB 3.45Å |
| 93 | L | 95.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -75 | -28.1 | -175.8 | -61.6 | 175 | 0 | 0 | 0 | 112.1 | T52 L55 N56 P60 T89 Y91 T97 W135 | T52-L93 HydrophobicContact CG2-CD2 4.05Å; L55-L93 HydrophobicContact CB-CD1 4.3Å; L55-L93 HydrophobicContact CB-CD2 4.38Å; L55-L93 HydrophobicContact CD2-CD2 4.06Å; L55-L93 HydrophobicContact CG-CD1 4.11Å; L55-L93 HydrophobicContact CG-CD2 4.35Å; N56-L93 VanDerWaalsContact CA-CD1 3.46Å; N56-L93 HydrophobicContact CB-CB 4.25Å; N56-L93 HydrophobicContact CB-CD1 3.94Å; P60-L93 HydrophobicContact CG-CD1 4.18Å; T89-L93 HydrophobicContact CG2-CD1 3.62Å; T89-L93 HydrophobicContact CG2-CG 4.18Å; T89-L93 WeakPolarHBondContact O-CB 3.39Å; T89-L93 VanDerWaalsContact O-CG 3.27Å; T89-L93 WeakPolarHBondContact O-CG 3.27Å; T89-L93 PolarHBondContact O-N 3.47Å; Y91-L93 PolarHBondContact O-N 3.29Å; L93-T97 VanDerWaalsContact O-CB 3.25Å; L93-T97 WeakPolarHBondContact O-CB 3.47Å; L93-T97 PolarHBondContact O-N 3.49Å; L93-T97 PolarHBondContact O-OG1 3.41Å; L93-W135 HydrophobicContact CD2-CH2 3.47Å; L93-W135 VanDerWaalsContact CD2-CH2 3.47Å; L93-W135 HydrophobicContact CD2-CZ2 4.5Å; L93-W135 HydrophobicContact CD2-CZ3 3.65Å |
| 94 | T | 94.3 | Very high | 94 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 3% | 0.025 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.2 | -56.6 | 167.9 | -68.8 | 0 | 0 | 0 | 0 | 111.2 | F90 Y91 T92 A96 T97 C98 F176 M257 | F90-T94 WeakPolarHBondContact O-CB 3.37Å; F90-T94 PolarHBondContact O-N 3.37Å; F90-T94 PolarHBondContact O-OG1 2.88Å; Y91-T94 WeakPolarHBondContact O-CB 3.16Å; Y91-T94 PolarHBondContact O-N 2.9Å; T92-T94 VanDerWaalsContact C-N 3.35Å; T94-A96 PolarHBondContact O-N 3.42Å; T94-T97 PolarHBondContact O-N 3.47Å; T94-C98 PolarHBondContact O-N 3.01Å; T94-C98 PolarHBondContact O-SG 3.11Å; T94-C98 VanDerWaalsContact O-SG 3.36Å; T94-F176 HydrophobicContact CG2-CE2 3.86Å; T94-F176 HydrophobicContact CG2-CZ 3.64Å; T94-M257 HydrophobicContact CG2-CE 3.63Å |
| 95 | L | 95.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 178.3 | -72 | 178 | 0 | 0 | 0 | 112.1 | Y91 T92 T97 C98 F99 L141 F176 L179 V180 | Y91-L95 PolarHBondContact O-N 3.45Å; T92-L95 PolarHBondContact O-N 3.3Å; L95-T97 VanDerWaalsContact C-N 3.3Å; L95-T97 PolarHBondContact O-N 2.97Å; L95-C98 PolarHBondContact O-N 2.95Å; L95-F99 HydrophobicContact CB-CD2 4.44Å; L95-F99 HydrophobicContact CB-CE2 4.16Å; L95-F99 HydrophobicContact CD2-CE2 4.48Å; L95-F99 HydrophobicContact CD2-CZ 4.34Å; L95-F99 WeakPolarHBondContact O-CD2 3.36Å; L95-F99 WeakPolarHBondContact O-CG 3.48Å; L95-F99 PolarHBondContact O-N 3.36Å; L95-L141 HydrophobicContact CD1-CB 4.2Å; L95-F176 HydrophobicContact CD1-CD2 4.49Å; L95-F176 HydrophobicContact CD2-CD2 3.91Å; L95-F176 HydrophobicContact CD2-CE2 3.87Å; L95-F176 HydrophobicContact CG-CD2 4.2Å; L95-F176 HydrophobicContact CG-CE2 4.04Å; L95-L179 HydrophobicContact CD2-CB 4.03Å; L95-V180 HydrophobicContact CD2-CG2 3.94Å |
| 96 | A | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.8 | -36.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | T52 T92 T94 S100 I134 S138 | T52-A96 HydrophobicContact CG2-CB 4.25Å; T92-A96 WeakPolarHBondContact O-CB 3.15Å; T92-A96 PolarHBondContact O-N 3.01Å; T94-A96 PolarHBondContact O-N 3.42Å; A96-S100 WeakPolarHBondContact O-CB 3.39Å; A96-S100 PolarHBondContact O-N 3.43Å; A96-S100 PolarHBondContact O-OG 3.33Å; A96-I134 HydrophobicContact CB-CG2 4.27Å; A96-S138 WeakPolarHBondContact CA-OG 3.34Å; A96-S138 PolarHBondContact N-OG 3.14Å |
| 97 | T | 96 | Very high | 95.1 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 3% | 0.025 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65 | -52.9 | 173.1 | -61.1 | 0 | 0 | 0 | 0 | 110.5 | L49 T52 L93 T94 L95 F99 S100 V101 Y253 M257 | L49-T97 HydrophobicContact CD1-CG2 4.2Å; T52-T97 WeakPolarHBondContact CG2-OG1 3.42Å; L93-T97 VanDerWaalsContact O-CB 3.25Å; L93-T97 WeakPolarHBondContact O-CB 3.47Å; L93-T97 PolarHBondContact O-N 3.49Å; L93-T97 PolarHBondContact O-OG1 3.41Å; T94-T97 PolarHBondContact O-N 3.47Å; L95-T97 VanDerWaalsContact C-N 3.3Å; L95-T97 PolarHBondContact O-N 2.97Å; T97-F99 PolarHBondContact O-N 2.96Å; T97-S100 PolarHBondContact O-N 3.35Å; T97-V101 WeakPolarHBondContact O-CG2 3.36Å; T97-V101 PolarHBondContact O-N 2.84Å; T97-Y253 HydrophobicContact CG2-CD2 4.12Å; T97-Y253 HydrophobicContact CG2-CE2 4.14Å; T97-M257 HydrophobicContact CG2-CE 4.34Å |
| 98 | C | 95.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 14.4 Ų | 14.4 | 7% | 0.068 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.3 | -53.2 | 179.6 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | T94 L95 S100 V101 T102 S183 | T94-C98 PolarHBondContact O-N 3.01Å; T94-C98 PolarHBondContact O-SG 3.11Å; T94-C98 VanDerWaalsContact O-SG 3.36Å; L95-C98 PolarHBondContact O-N 2.95Å; C98-S100 VanDerWaalsContact C-N 3.31Å; C98-S100 PolarHBondContact O-N 2.94Å; C98-V101 PolarHBondContact O-N 3.46Å; C98-T102 PolarHBondContact O-N 2.89Å; C98-T102 PolarHBondContact O-OG1 2.9Å; C98-S183 WeakPolarHBondContact CB-OG 3.49Å |
| 99 | F | 96.7 | Very high | 95.6 | Very high | 40 Ų | 40 | 15.3 Ų | 15.3 | 18% | 0.175 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.4 | -31.3 | 179.6 | -62.4 | -35.3 | 0 | 0 | 0 | 113.3 | L95 T97 T102 S103 I134 V137 L179 | L95-F99 HydrophobicContact CB-CD2 4.44Å; L95-F99 HydrophobicContact CB-CE2 4.16Å; L95-F99 HydrophobicContact CD2-CE2 4.48Å; L95-F99 HydrophobicContact CD2-CZ 4.34Å; L95-F99 WeakPolarHBondContact O-CD2 3.36Å; L95-F99 WeakPolarHBondContact O-CG 3.48Å; L95-F99 PolarHBondContact O-N 3.36Å; T97-F99 PolarHBondContact O-N 2.96Å; F99-T102 PolarHBondContact O-N 3.31Å; F99-S103 VanDerWaalsContact O-CB 3.24Å; F99-S103 WeakPolarHBondContact O-CB 3.25Å; F99-S103 PolarHBondContact O-N 3.12Å; F99-I134 HydrophobicContact CB-CB 4.45Å; F99-I134 HydrophobicContact CB-CD1 4.22Å; F99-I134 HydrophobicContact CB-CG1 3.91Å; F99-I134 HydrophobicContact CB-CG2 3.83Å; F99-I134 HydrophobicContact CD2-CG2 4.47Å; F99-V137 HydrophobicContact CE2-CG1 4.34Å; F99-L179 HydrophobicContact CZ-CB 4.23Å; F99-L179 HydrophobicContact CZ-CD2 4.17Å |
| 100 | S | 96.8 | Very high | 95.6 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 4% | 0.042 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.5 | -37.8 | 174.3 | -63.9 | 0 | 0 | 0 | 0 | 112 | A96 T97 C98 S103 L104 | A96-S100 WeakPolarHBondContact O-CB 3.39Å; A96-S100 PolarHBondContact O-N 3.43Å; A96-S100 PolarHBondContact O-OG 3.33Å; T97-S100 PolarHBondContact O-N 3.35Å; C98-S100 VanDerWaalsContact C-N 3.31Å; C98-S100 PolarHBondContact O-N 2.94Å; S100-S103 WeakPolarHBondContact O-CB 3.23Å; S100-S103 PolarHBondContact O-N 3.41Å; S100-L104 WeakPolarHBondContact O-CG 3.27Å; S100-L104 PolarHBondContact O-N 3.14Å |
| 101 | V | 96.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.018 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.6 | -43.4 | 173.1 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | L49 T97 C98 S103 L104 S105 V250 Y253 | L49-V101 HydrophobicContact CD1-CG2 4.42Å; L49-V101 HydrophobicContact CD2-CG2 4.43Å; T97-V101 WeakPolarHBondContact O-CG2 3.36Å; T97-V101 PolarHBondContact O-N 2.84Å; C98-V101 PolarHBondContact O-N 3.46Å; V101-S103 VanDerWaalsContact C-N 3.3Å; V101-S103 PolarHBondContact O-N 3.15Å; V101-L104 PolarHBondContact O-N 3.13Å; V101-S105 PolarHBondContact O-N 3.13Å; V101-S105 PolarHBondContact O-OG 3.33Å; V101-V250 HydrophobicContact CG1-CB 4.11Å; V101-V250 HydrophobicContact CG1-CG1 4.18Å; V101-V250 HydrophobicContact CG1-CG2 3.71Å; V101-Y253 HydrophobicContact CG2-CD2 3.56Å; V101-Y253 HydrophobicContact CG2-CE2 4.19Å; V101-Y253 HydrophobicContact CG2-CG 4.2Å |
| 102 | T | 96.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 17.4 Ų | 17.4 | 15% | 0.147 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.1 | -40.6 | 171.6 | -47 | 0 | 0 | 0 | 0 | 111.4 | C98 F99 S105 Y106 S183 M186 | C98-T102 PolarHBondContact O-N 2.89Å; C98-T102 PolarHBondContact O-OG1 2.9Å; F99-T102 PolarHBondContact O-N 3.31Å; T102-S105 WeakPolarHBondContact O-CB 3.49Å; T102-S105 PolarHBondContact O-N 3.2Å; T102-Y106 WeakPolarHBondContact O-CB 3.45Å; T102-Y106 PolarHBondContact O-N 2.99Å; T102-S183 VanDerWaalsContact OG1-C 3.31Å; T102-S183 WeakPolarHBondContact OG1-CA 3.33Å; T102-S183 WeakPolarHBondContact OG1-CB 3.47Å; T102-S183 PolarHBondContact OG1-O 3.34Å; T102-M186 HydrophobicContact CG2-CB 3.81Å |
| 103 | S | 96.7 | Very high | 95.2 | Very high | 14 Ų | 14 | 19 Ų | 19 | 10% | 0.098 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 177.6 | -171.1 | 0 | 0 | 0 | 0 | 112.4 | F99 S100 V101 S105 Y106 H107 T130 | F99-S103 VanDerWaalsContact O-CB 3.24Å; F99-S103 WeakPolarHBondContact O-CB 3.25Å; F99-S103 PolarHBondContact O-N 3.12Å; S100-S103 WeakPolarHBondContact O-CB 3.23Å; S100-S103 PolarHBondContact O-N 3.41Å; V101-S103 VanDerWaalsContact C-N 3.3Å; V101-S103 PolarHBondContact O-N 3.15Å; S103-S105 VanDerWaalsContact C-N 3.32Å; S103-S105 PolarHBondContact O-N 3.42Å; S103-Y106 PolarHBondContact O-N 3.31Å; S103-H107 WeakPolarHBondContact O-CB 3.35Å; S103-H107 PolarHBondContact O-N 3.47Å; S103-T130 WeakPolarHBondContact OG-CG2 3.45Å |
| 104 | L | 95.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.7 | -43.6 | 172.2 | -75.2 | 167.2 | 0 | 0 | 0 | 111.7 | L42 L45 L46 L49 S100 V101 R108 | L42-L104 HydrophobicContact CD1-CD2 3.71Å; L45-L104 HydrophobicContact CB-CD2 3.49Å; L45-L104 VanDerWaalsContact CB-CD2 3.49Å; L45-L104 HydrophobicContact CB-CG 4.22Å; L45-L104 HydrophobicContact CD1-CD2 4.22Å; L45-L104 HydrophobicContact CG-CD2 4.5Å; L46-L104 HydrophobicContact CD2-CD1 4.07Å; L46-L104 HydrophobicContact CD2-CD2 4.06Å; L46-L104 HydrophobicContact CG-CD2 4.09Å; L49-L104 HydrophobicContact CD2-CD1 3.81Å; S100-L104 WeakPolarHBondContact O-CG 3.27Å; S100-L104 PolarHBondContact O-N 3.14Å; V101-L104 PolarHBondContact O-N 3.13Å; L104-R108 WeakPolarHBondContact O-CB 3.35Å; L104-R108 PolarHBondContact O-N 3.21Å |
| 105 | S | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.8 | -52.8 | 176.5 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | V101 T102 S103 H107 R108 M109 G187 T191 V250 | V101-S105 PolarHBondContact O-N 3.13Å; V101-S105 PolarHBondContact O-OG 3.33Å; T102-S105 WeakPolarHBondContact O-CB 3.49Å; T102-S105 PolarHBondContact O-N 3.2Å; S103-S105 VanDerWaalsContact C-N 3.32Å; S103-S105 PolarHBondContact O-N 3.42Å; S105-H107 PolarHBondContact O-N 3.43Å; S105-R108 PolarHBondContact O-N 2.88Å; S105-M109 WeakPolarHBondContact O-CB 3.29Å; S105-M109 PolarHBondContact O-N 3.04Å; S105-G187 WeakPolarHBondContact CB-O 3.38Å; S105-G187 PolarHBondContact OG-O 3.27Å; S105-T191 WeakPolarHBondContact CB-OG1 3.47Å; S105-T191 PolarHBondContact OG-OG1 2.97Å; S105-T191 VanDerWaalsContact OG-OG1 3.13Å; S105-V250 WeakPolarHBondContact OG-CG2 3.49Å |
| 106 | Y | 96.1 | Very high | 94.2 | Very high | 115 Ų | 115 | 34.3 Ų | 34.3 | 45% | 0.451 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 178.6 | 174.3 | -95.8 | 0 | 0 | 0 | 111.7 | T102 S103 R108 M109 W110 | T102-Y106 WeakPolarHBondContact O-CB 3.45Å; T102-Y106 PolarHBondContact O-N 2.99Å; S103-Y106 PolarHBondContact O-N 3.31Å; Y106-R108 VanDerWaalsContact C-N 3.33Å; Y106-R108 PolarHBondContact O-N 3.24Å; Y106-M109 HydrophobicContact CD2-CE 3.64Å; Y106-M109 HydrophobicContact CE2-CE 3.83Å; Y106-M109 WeakPolarHBondContact O-CB 3.45Å; Y106-M109 PolarHBondContact O-N 3.4Å; Y106-W110 HydrophobicContact CE1-CE3 4.5Å; Y106-W110 WeakPolarHBondContact O-CB 3.28Å; Y106-W110 PolarHBondContact O-N 3.13Å |
| 107 | H | 95 | Very high | 93.9 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 178.4 | 180 | -81.4 | 0 | 0 | 0 | 111.7 | P41 L45 S103 S105 M111 Y118 | P41-H107 WeakPolarHBondContact CB-NE2 3.46Å; L45-H107 HydrophobicContact CD1-CB 3.95Å; S103-H107 WeakPolarHBondContact O-CB 3.35Å; S103-H107 PolarHBondContact O-N 3.47Å; S105-H107 PolarHBondContact O-N 3.43Å; H107-M111 PolarHBondContact O-N 3.43Å; H107-Y118 AromaticContact CE1-CE2 3.84Å; H107-Y118 AromaticContact CE1-CZ 3.9Å; H107-Y118 PolarHBondContact CE1-OH 2.78Å; H107-Y118 VanDerWaalsContact CE1-OH 3.29Å; H107-Y118 AromaticContact NE2-CE2 3.44Å; H107-Y118 WeakPolarHBondContact NE2-CE2 3.41Å; H107-Y118 AromaticContact NE2-CZ 3.73Å; H107-Y118 PolarHBondContact NE2-OH 3.44Å; H107-Y118 VanDerWaalsContact NE2-OH 3.17Å |
| 108 | R | 95.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.1 | -41.8 | 176.8 | -170.2 | 65.5 | -168.8 | 156 | 11.8 | 111.8 | L104 S105 Y106 M111 V112 A194 E234 S239 T243 V246 | L104-R108 WeakPolarHBondContact O-CB 3.35Å; L104-R108 PolarHBondContact O-N 3.21Å; S105-R108 PolarHBondContact O-N 2.88Å; Y106-R108 VanDerWaalsContact C-N 3.33Å; Y106-R108 PolarHBondContact O-N 3.24Å; R108-M111 PolarHBondContact NH1-SD 2.95Å; R108-V112 WeakPolarHBondContact O-CB 3.45Å; R108-V112 VanDerWaalsContact O-CG2 3.25Å; R108-V112 WeakPolarHBondContact O-CG2 3.28Å; R108-V112 PolarHBondContact O-N 3.01Å; R108-V112 VanDerWaalsContact O-N 3.12Å; R108-A194 HydrophobicContact CG-CB 4.36Å; R108-E234 IonicContact NH1-OE2 3.5Å; R108-E234 PolarHBondContact NH1-OE2 3.39Å; R108-E234 VanDerWaalsContact NH1-OE2 3.13Å; R108-S239 PolarHBondContact NH2-O 2.92Å; R108-S239 PolarHBondContact NH2-OG 2.93Å; R108-T243 HydrophobicContact CG-CG2 4.45Å; R108-T243 PolarHBondContact NE-OG1 3Å; R108-T243 PolarHBondContact NH2-OG1 3.11Å; R108-V246 HydrophobicContact CB-CG1 4.18Å; R108-V246 HydrophobicContact CG-CG2 4.5Å |
| 109 | M | 95.2 | Very high | 93.1 | Very high | 33 Ų | 33 | 47.8 Ų | 47.8 | 16% | 0.163 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.1 | -50.5 | 173.5 | -177.6 | -165.8 | 69.6 | 0 | 0 | 111.6 | S105 Y106 M111 V112 C113 C190 I193 A194 | S105-M109 WeakPolarHBondContact O-CB 3.29Å; S105-M109 PolarHBondContact O-N 3.04Å; Y106-M109 HydrophobicContact CD2-CE 3.64Å; Y106-M109 HydrophobicContact CE2-CE 3.83Å; Y106-M109 WeakPolarHBondContact O-CB 3.45Å; Y106-M109 PolarHBondContact O-N 3.4Å; M109-M111 PolarHBondContact O-N 3.08Å; M109-V112 PolarHBondContact O-N 3.41Å; M109-V112 VanDerWaalsContact O-N 3.16Å; M109-C113 WeakPolarHBondContact O-CB 3.36Å; M109-C113 PolarHBondContact O-N 3.5Å; M109-C113 PolarHBondContact O-SG 3.34Å; M109-C113 VanDerWaalsContact O-SG 3.35Å; M109-C190 HydrophobicContact CB-CB 4.21Å; M109-C190 HydrophobicContact SD-CB 3.96Å; M109-I193 HydrophobicContact CG-CB 4.16Å; M109-I193 HydrophobicContact CG-CG2 3.84Å; M109-I193 HydrophobicContact SD-CB 4.23Å; M109-I193 HydrophobicContact SD-CD1 3.97Å; M109-I193 HydrophobicContact SD-CG2 4.17Å; M109-A194 HydrophobicContact CB-CB 4.22Å |
| 110 | W | 94.3 | Very high | 92.6 | Very high | 31 Ų | 31 | 52.7 Ų | 52.7 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | -178.4 | 178.5 | 30.7 | 0 | 0 | 0 | 112.5 | Y106 V112 W114 N117 Y118 S121 A123 | Y106-W110 HydrophobicContact CE1-CE3 4.5Å; Y106-W110 WeakPolarHBondContact O-CB 3.28Å; Y106-W110 PolarHBondContact O-N 3.13Å; W110-V112 VanDerWaalsContact C-N 3.31Å; W110-V112 PolarHBondContact O-N 2.92Å; W110-W114 AromaticContact CD1-CE3 3.72Å; W110-W114 PolarHBondContact O-N 2.85Å; W110-N117 PolarHBondContact NE1-ND2 2.8Å; W110-Y118 AromaticContact CD2-CD2 3.82Å; W110-Y118 HydrophobicContact CD2-CD2 3.82Å; W110-Y118 AromaticContact CE3-CD2 3.71Å; W110-Y118 HydrophobicContact CE3-CD2 3.71Å; W110-Y118 HydrophobicContact CE3-CE2 4.14Å; W110-Y118 HydrophobicContact CG-CD2 4.35Å; W110-Y118 HydrophobicContact CH2-CD2 4.41Å; W110-Y118 HydrophobicContact CZ2-CD2 4.5Å; W110-Y118 HydrophobicContact CZ3-CD2 4.02Å; W110-Y118 HydrophobicContact CZ3-CE2 4.3Å; W110-S121 WeakPolarHBondContact CH2-OG 3.37Å; W110-S121 VanDerWaalsContact CZ2-OG 3.27Å; W110-S121 WeakPolarHBondContact CZ2-OG 3.46Å; W110-A123 HydrophobicContact CH2-CB 4.33Å; W110-A123 HydrophobicContact CZ3-CB 4.2Å |
| 111 | M | 91.1 | Very high | 92.1 | Very high | 28 Ų | 28 | 54 Ų | 54 | 14% | 0.138 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -38.3 | 175.7 | -177.8 | -169.2 | -71.3 | 0 | 0 | 112.8 | H107 R108 M109 P115 Y118 | H107-M111 PolarHBondContact O-N 3.43Å; R108-M111 PolarHBondContact NH1-SD 2.95Å; M109-M111 PolarHBondContact O-N 3.08Å; M111-P115 WeakPolarHBondContact O-CA 3.49Å; M111-Y118 HydrophobicContact CB-CD1 4.27Å; M111-Y118 HydrophobicContact CB-CD2 4.04Å; M111-Y118 HydrophobicContact CB-CE1 4.43Å; M111-Y118 HydrophobicContact CB-CE2 4.18Å; M111-Y118 HydrophobicContact CB-CG 4.1Å; M111-Y118 HydrophobicContact CE-CD1 4.49Å; M111-Y118 HydrophobicContact CE-CE1 3.62Å; M111-Y118 HydrophobicContact CE-CE2 4.19Å; M111-Y118 VanDerWaalsContact CE-CZ 3.44Å; M111-Y118 VanDerWaalsContact CE-OH 3.29Å; M111-Y118 WeakPolarHBondContact CE-OH 3.35Å; M111-Y118 HydrophobicContact CG-CD1 3.96Å; M111-Y118 HydrophobicContact CG-CE1 4.02Å; M111-Y118 HydrophobicContact CG-CG 4.28Å |
| 112 | V | 90.7 | Very high | 91.7 | Very high | 30 Ų | 30 | 60.1 Ų | 60.1 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -78.5 | -46.6 | -177.5 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | R108 M109 W110 Q197 T198 | R108-V112 WeakPolarHBondContact O-CB 3.45Å; R108-V112 VanDerWaalsContact O-CG2 3.25Å; R108-V112 WeakPolarHBondContact O-CG2 3.28Å; R108-V112 PolarHBondContact O-N 3.01Å; R108-V112 VanDerWaalsContact O-N 3.12Å; M109-V112 PolarHBondContact O-N 3.41Å; M109-V112 VanDerWaalsContact O-N 3.16Å; W110-V112 VanDerWaalsContact C-N 3.31Å; W110-V112 PolarHBondContact O-N 2.92Å; V112-Q197 HydrophobicContact CG1-CB 3.55Å; V112-T198 HydrophobicContact CB-CG2 4.3Å; V112-T198 HydrophobicContact CG1-CG2 3.64Å; V112-T198 HydrophobicContact CG2-CG2 3.57Å |
| 113 | C | 91.6 | Very high | 91.4 | Very high | 41 Ų | 41 | 59.4 Ų | 59.4 | 28% | 0.277 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.1 | -43 | -177.4 | -65.3 | 0 | 0 | 0 | 0 | 112 | M109 P115 | M109-C113 WeakPolarHBondContact O-CB 3.36Å; M109-C113 PolarHBondContact O-N 3.5Å; M109-C113 PolarHBondContact O-SG 3.34Å; M109-C113 VanDerWaalsContact O-SG 3.35Å; C113-P115 VanDerWaalsContact C-CD 3.47Å; C113-P115 WeakPolarHBondContact O-CD 3.46Å |
| 114 | W | 90.3 | Very high | 91 | Very high | 157 Ų | 157 | 63.2 Ų | 63.2 | 60% | 0.595 | 31% | 0.308 | S | S | * | . | trans | -128.1 | 63.4 | -172.9 | -56.2 | -32.5 | 0 | 0 | 0 | 112.2 | W110 V116 N117 Y118 | W110-W114 AromaticContact CD1-CE3 3.72Å; W110-W114 PolarHBondContact O-N 2.85Å; W114-V116 VanDerWaalsContact C-N 3.27Å; W114-V116 PolarHBondContact O-N 3.32Å; W114-N117 HydrophobicContact CB-CB 4.02Å; W114-N117 PolarHBondContact O-N 2.86Å; W114-Y118 WeakPolarHBondContact O-CB 3.5Å; W114-Y118 PolarHBondContact O-N 3.47Å | ||
| 115 | P | 87.9 | Confident | 90.9 | Very high | 69 Ų | 69 | 69.7 Ų | 69.7 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.8 | -30.2 | -172.7 | 24.4 | -35.1 | 0 | 0 | 0 | 114 | M111 C113 R119 | M111-P115 WeakPolarHBondContact O-CA 3.49Å; C113-P115 VanDerWaalsContact C-CD 3.47Å; C113-P115 WeakPolarHBondContact O-CD 3.46Å; P115-R119 WeakPolarHBondContact O-CB 3.4Å; P115-R119 WeakPolarHBondContact O-CG 3.23Å; P115-R119 PolarHBondContact O-N 2.8Å; P115-R119 VanDerWaalsContact O-N 3.13Å |
| 116 | V | 87.8 | Confident | 90.7 | Very high | 103 Ų | 103 | 74.9 Ų | 74.9 | 62% | 0.624 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -71.4 | -52.3 | 177.2 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | W114 Y118 R119 L120 | W114-V116 VanDerWaalsContact C-N 3.27Å; W114-V116 PolarHBondContact O-N 3.32Å; V116-Y118 VanDerWaalsContact C-N 3.32Å; V116-Y118 PolarHBondContact O-N 3.39Å; V116-R119 PolarHBondContact O-N 2.95Å; V116-R119 VanDerWaalsContact O-N 3.12Å; V116-L120 HydrophobicContact CG1-CD1 4.05Å; V116-L120 PolarHBondContact O-N 3.41Å |
| 117 | N | 89.3 | Confident | 90.5 | Very high | 81 Ų | 81 | 69.7 Ų | 69.7 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57 | -46.7 | 175.8 | -178.3 | 23.2 | 0 | 0 | 0 | 110.9 | W110 W114 R119 L120 S121 | W110-N117 PolarHBondContact NE1-ND2 2.8Å; W114-N117 HydrophobicContact CB-CB 4.02Å; W114-N117 PolarHBondContact O-N 2.86Å; N117-R119 VanDerWaalsContact C-N 3.3Å; N117-R119 PolarHBondContact O-N 2.94Å; N117-L120 PolarHBondContact O-N 3.43Å; N117-S121 VanDerWaalsContact O-CB 3.29Å; N117-S121 WeakPolarHBondContact O-CB 3.48Å; N117-S121 PolarHBondContact O-N 2.99Å |
| 118 | Y | 88.5 | Confident | 90.5 | Very high | 27 Ų | 27 | 72.2 Ų | 72.2 | 11% | 0.106 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.7 | -40.1 | 176.3 | 177.4 | -90.2 | 0 | 0 | 0 | 112.8 | H107 W110 M111 W114 V116 S121 A123 | H107-Y118 AromaticContact CE1-CE2 3.84Å; H107-Y118 AromaticContact CE1-CZ 3.9Å; H107-Y118 PolarHBondContact CE1-OH 2.78Å; H107-Y118 VanDerWaalsContact CE1-OH 3.29Å; H107-Y118 AromaticContact NE2-CE2 3.44Å; H107-Y118 WeakPolarHBondContact NE2-CE2 3.41Å; H107-Y118 AromaticContact NE2-CZ 3.73Å; H107-Y118 PolarHBondContact NE2-OH 3.44Å; H107-Y118 VanDerWaalsContact NE2-OH 3.17Å; W110-Y118 AromaticContact CD2-CD2 3.82Å; W110-Y118 HydrophobicContact CD2-CD2 3.82Å; W110-Y118 AromaticContact CE3-CD2 3.71Å; W110-Y118 HydrophobicContact CE3-CD2 3.71Å; W110-Y118 HydrophobicContact CE3-CE2 4.14Å; W110-Y118 HydrophobicContact CG-CD2 4.35Å; W110-Y118 HydrophobicContact CH2-CD2 4.41Å; W110-Y118 HydrophobicContact CZ2-CD2 4.5Å; W110-Y118 HydrophobicContact CZ3-CD2 4.02Å; W110-Y118 HydrophobicContact CZ3-CE2 4.3Å; M111-Y118 HydrophobicContact CB-CD1 4.27Å; M111-Y118 HydrophobicContact CB-CD2 4.04Å; M111-Y118 HydrophobicContact CB-CE1 4.43Å; M111-Y118 HydrophobicContact CB-CE2 4.18Å; M111-Y118 HydrophobicContact CB-CG 4.1Å; M111-Y118 HydrophobicContact CE-CD1 4.49Å; M111-Y118 HydrophobicContact CE-CE1 3.62Å; M111-Y118 HydrophobicContact CE-CE2 4.19Å; M111-Y118 VanDerWaalsContact CE-CZ 3.44Å; M111-Y118 VanDerWaalsContact CE-OH 3.29Å; M111-Y118 WeakPolarHBondContact CE-OH 3.35Å; M111-Y118 HydrophobicContact CG-CD1 3.96Å; M111-Y118 HydrophobicContact CG-CE1 4.02Å; M111-Y118 HydrophobicContact CG-CG 4.28Å; W114-Y118 WeakPolarHBondContact O-CB 3.5Å; W114-Y118 PolarHBondContact O-N 3.47Å; V116-Y118 VanDerWaalsContact C-N 3.32Å; V116-Y118 PolarHBondContact O-N 3.39Å; Y118-S121 PolarHBondContact O-OG 3.41Å; Y118-A123 HydrophobicContact CD2-CB 4.25Å; Y118-A123 HydrophobicContact CE2-CB 3.69Å |
| 119 | R | 85.9 | Confident | 90.5 | Very high | 188 Ų | 188 | 76.6 Ų | 76.6 | 71% | 0.709 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -71.8 | -34.9 | 177.5 | -80.2 | -176.9 | 65.6 | -142.1 | -4.3 | 114.4 | P115 V116 N117 | P115-R119 WeakPolarHBondContact O-CB 3.4Å; P115-R119 WeakPolarHBondContact O-CG 3.23Å; P115-R119 PolarHBondContact O-N 2.8Å; P115-R119 VanDerWaalsContact O-N 3.13Å; V116-R119 PolarHBondContact O-N 2.95Å; V116-R119 VanDerWaalsContact O-N 3.12Å; N117-R119 VanDerWaalsContact C-N 3.3Å; N117-R119 PolarHBondContact O-N 2.94Å |
| 120 | L | 86.6 | Confident | 90.5 | Very high | 144 Ų | 144 | 77.3 Ų | 77.3 | 75% | 0.754 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -78.7 | -27.3 | 176.8 | -66.5 | 172.7 | 0 | 0 | 0 | 111.7 | V116 N117 | V116-L120 HydrophobicContact CG1-CD1 4.05Å; V116-L120 PolarHBondContact O-N 3.41Å; N117-L120 PolarHBondContact O-N 3.43Å |
| 121 | S | 86 | Confident | 90.6 | Very high | 32 Ų | 32 | 76.2 Ų | 76.2 | 22% | 0.224 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 147 | 175.3 | 80.8 | 0 | 0 | 0 | 0 | 112.2 | W110 N117 Y118 A123 | W110-S121 WeakPolarHBondContact CH2-OG 3.37Å; W110-S121 VanDerWaalsContact CZ2-OG 3.27Å; W110-S121 WeakPolarHBondContact CZ2-OG 3.46Å; N117-S121 VanDerWaalsContact O-CB 3.29Å; N117-S121 WeakPolarHBondContact O-CB 3.48Å; N117-S121 PolarHBondContact O-N 2.99Å; Y118-S121 PolarHBondContact O-OG 3.41Å; S121-A123 PolarHBondContact O-N 3.38Å |
| 122 | N | 88.9 | Confident | 90.8 | Very high | 133 Ų | 133 | 79.6 Ų | 79.6 | 71% | 0.711 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 57.3 | 168.8 | -82.5 | -58.1 | 0 | 0 | 0 | 111.6 | K124 K125 Q126 | N122-K124 PolarHBondContact O-N 2.92Å; N122-K125 HydrophobicContact CB-CB 4.26Å; N122-K125 PolarHBondContact O-N 3.48Å; N122-Q126 PolarHBondContact O-N 3.29Å |
| 123 | A | 88.8 | Confident | 91.1 | Very high | 8 Ų | 8 | 79.8 Ų | 79.8 | 7% | 0.066 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -53.2 | -26.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P41 W110 Y118 S121 A127 | P41-A123 HydrophobicContact CG-CB 3.93Å; W110-A123 HydrophobicContact CH2-CB 4.33Å; W110-A123 HydrophobicContact CZ3-CB 4.2Å; Y118-A123 HydrophobicContact CD2-CB 4.25Å; Y118-A123 HydrophobicContact CE2-CB 3.69Å; S121-A123 PolarHBondContact O-N 3.38Å; A123-A127 WeakPolarHBondContact O-CB 3.22Å; A123-A127 PolarHBondContact O-N 3Å |
| 124 | K | 90.2 | Very high | 91.4 | Very high | 95 Ų | 95 | 78.6 Ų | 78.6 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.2 | -54.3 | 171.7 | -67.3 | -171.3 | 178.7 | -143.2 | 0 | 112.4 | W39 P41 N122 Q126 A127 V128 | W39-K124 WeakPolarHBondContact O-CE 3.34Å; W39-K124 PolarHBondContact O-NZ 3.08Å; P41-K124 HydrophobicContact CG-CB 4.49Å; P41-K124 HydrophobicContact CG-CG 3.9Å; N122-K124 PolarHBondContact O-N 2.92Å; K124-Q126 VanDerWaalsContact C-N 3.26Å; K124-Q126 PolarHBondContact O-N 3.29Å; K124-A127 PolarHBondContact O-N 3.29Å; K124-V128 WeakPolarHBondContact O-CG2 3.1Å; K124-V128 PolarHBondContact O-N 3.28Å; K124-V128 VanDerWaalsContact O-N 3.08Å |
| 125 | K | 92.1 | Very high | 91.7 | Very high | 137 Ų | 137 | 74.2 Ų | 74.2 | 60% | 0.596 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.6 | -41.5 | 177.7 | -177.1 | 173.5 | 178.8 | 179.1 | 0 | 109.8 | N122 V128 H129 | N122-K125 HydrophobicContact CB-CB 4.26Å; N122-K125 PolarHBondContact O-N 3.48Å; K125-V128 PolarHBondContact O-N 3.13Å; K125-H129 WeakPolarHBondContact CE-NE2 3.44Å; K125-H129 PolarHBondContact O-CD2 3.09Å; K125-H129 PolarHBondContact O-N 3.28Å |
| 126 | Q | 92.6 | Very high | 92.1 | Very high | 109 Ų | 109 | 76.3 Ų | 76.3 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.3 | -48 | 175.4 | -162.9 | 66.7 | 8.6 | 0 | 0 | 112.1 | N122 K124 V128 H129 T130 | N122-Q126 PolarHBondContact O-N 3.29Å; K124-Q126 VanDerWaalsContact C-N 3.26Å; K124-Q126 PolarHBondContact O-N 3.29Å; Q126-V128 VanDerWaalsContact C-N 3.35Å; Q126-V128 PolarHBondContact O-N 3.46Å; Q126-H129 PolarHBondContact O-N 3.48Å; Q126-T130 WeakPolarHBondContact O-CB 3.42Å; Q126-T130 PolarHBondContact O-N 3Å; Q126-T130 PolarHBondContact O-OG1 3.25Å |
| 127 | A | 93.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 74.8 Ų | 74.8 | 5% | 0.05 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | P41 F44 L45 A123 K124 T130 V131 | P41-A127 HydrophobicContact CB-CB 3.78Å; F44-A127 HydrophobicContact CD1-CB 4.4Å; L45-A127 HydrophobicContact CG-CB 4.5Å; A123-A127 WeakPolarHBondContact O-CB 3.22Å; A123-A127 PolarHBondContact O-N 3Å; K124-A127 PolarHBondContact O-N 3.29Å; A127-T130 PolarHBondContact O-N 2.97Å; A127-V131 WeakPolarHBondContact O-CG2 3.29Å; A127-V131 PolarHBondContact O-N 2.7Å |
| 128 | V | 94.5 | Very high | 92.8 | Very high | 63 Ų | 63 | 70.9 Ų | 70.9 | 38% | 0.382 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -48.9 | 173.8 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | F44 K124 K125 Q126 T130 V131 M132 | F44-V128 HydrophobicContact CD1-CG2 4.46Å; F44-V128 HydrophobicContact CE1-CB 4.48Å; F44-V128 HydrophobicContact CE1-CG2 3.9Å; F44-V128 HydrophobicContact CZ-CG2 4.03Å; K124-V128 WeakPolarHBondContact O-CG2 3.1Å; K124-V128 PolarHBondContact O-N 3.28Å; K124-V128 VanDerWaalsContact O-N 3.08Å; K125-V128 PolarHBondContact O-N 3.13Å; Q126-V128 VanDerWaalsContact C-N 3.35Å; Q126-V128 PolarHBondContact O-N 3.46Å; V128-T130 VanDerWaalsContact C-N 3.32Å; V128-T130 PolarHBondContact O-N 3.31Å; V128-V131 PolarHBondContact O-N 2.78Å; V128-M132 HydrophobicContact CG1-CE 4.14Å; V128-M132 HydrophobicContact CG1-SD 4.4Å; V128-M132 WeakPolarHBondContact O-CG 3.45Å; V128-M132 PolarHBondContact O-N 3.3Å |
| 129 | H | 94.7 | Very high | 93.1 | Very high | 93 Ų | 93 | 75.1 Ų | 75.1 | 43% | 0.431 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.6 | -38 | 174.7 | -70.8 | -63.8 | 0 | 0 | 0 | 112.9 | K125 Q126 M132 G133 | K125-H129 WeakPolarHBondContact CE-NE2 3.44Å; K125-H129 PolarHBondContact O-CD2 3.09Å; K125-H129 PolarHBondContact O-N 3.28Å; Q126-H129 PolarHBondContact O-N 3.48Å; H129-M132 WeakPolarHBondContact ND1-CE 3.34Å; H129-M132 PolarHBondContact O-N 3.35Å; H129-G133 PolarHBondContact O-N 2.84Å |
| 130 | T | 94.9 | Very high | 93.5 | Very high | 48 Ų | 48 | 70.6 Ų | 70.6 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 176 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | S103 Q126 A127 V128 G133 I134 | S103-T130 WeakPolarHBondContact OG-CG2 3.45Å; Q126-T130 WeakPolarHBondContact O-CB 3.42Å; Q126-T130 PolarHBondContact O-N 3Å; Q126-T130 PolarHBondContact O-OG1 3.25Å; A127-T130 PolarHBondContact O-N 2.97Å; V128-T130 VanDerWaalsContact C-N 3.32Å; V128-T130 PolarHBondContact O-N 3.31Å; T130-G133 PolarHBondContact O-N 2.75Å; T130-I134 HydrophobicContact CG2-CD1 3.86Å; T130-I134 HydrophobicContact CG2-CG1 4.45Å; T130-I134 WeakPolarHBondContact O-CB 3.33Å; T130-I134 WeakPolarHBondContact O-CG1 3.48Å; T130-I134 PolarHBondContact O-N 3.29Å |
| 131 | V | 96.4 | Very high | 93.8 | Very high | 9 Ų | 9 | 65.6 Ų | 65.6 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62 | -49 | 175.7 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | F44 L45 M48 A127 V128 G133 I134 W135 | F44-V131 HydrophobicContact CD1-CG2 4.33Å; F44-V131 HydrophobicContact CE1-CB 4.08Å; F44-V131 HydrophobicContact CE1-CG2 3.69Å; F44-V131 HydrophobicContact CZ-CG2 4.5Å; L45-V131 HydrophobicContact CD2-CG2 3.6Å; M48-V131 HydrophobicContact CB-CG1 4.37Å; M48-V131 HydrophobicContact CB-CG2 4.36Å; M48-V131 HydrophobicContact CE-CG1 3.78Å; M48-V131 HydrophobicContact CG-CG1 3.92Å; M48-V131 HydrophobicContact CG-CG2 4.12Å; M48-V131 HydrophobicContact SD-CG1 4.29Å; A127-V131 WeakPolarHBondContact O-CG2 3.29Å; A127-V131 PolarHBondContact O-N 2.7Å; V128-V131 PolarHBondContact O-N 2.78Å; V131-G133 VanDerWaalsContact C-N 3.31Å; V131-G133 PolarHBondContact O-N 3.03Å; V131-I134 PolarHBondContact O-N 2.94Å; V131-W135 VanDerWaalsContact O-CD1 3.32Å; V131-W135 PolarHBondContact O-N 3.2Å |
| 132 | M | 96.1 | Very high | 94.1 | Very high | 98 Ų | 98 | 64.1 Ų | 64.1 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 177.3 | -67.1 | -172.6 | -56.8 | 0 | 0 | 111.6 | V128 H129 W135 M136 | V128-M132 HydrophobicContact CG1-CE 4.14Å; V128-M132 HydrophobicContact CG1-SD 4.4Å; V128-M132 WeakPolarHBondContact O-CG 3.45Å; V128-M132 PolarHBondContact O-N 3.3Å; H129-M132 WeakPolarHBondContact ND1-CE 3.34Å; H129-M132 PolarHBondContact O-N 3.35Å; M132-W135 PolarHBondContact O-N 3.03Å; M132-M136 WeakPolarHBondContact O-CB 3.23Å; M132-M136 VanDerWaalsContact O-CG 3.26Å; M132-M136 WeakPolarHBondContact O-CG 3.11Å; M132-M136 PolarHBondContact O-N 2.91Å |
| 133 | G | 96.7 | Very high | 94.1 | Very high | 34 Ų | 34 | 58.9 Ų | 58.9 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | H129 T130 V131 M136 V137 | H129-G133 PolarHBondContact O-N 2.84Å; T130-G133 PolarHBondContact O-N 2.75Å; V131-G133 VanDerWaalsContact C-N 3.31Å; V131-G133 PolarHBondContact O-N 3.03Å; G133-M136 PolarHBondContact O-N 3.46Å; G133-V137 WeakPolarHBondContact O-CB 3.34Å; G133-V137 VanDerWaalsContact O-CG2 3.29Å; G133-V137 WeakPolarHBondContact O-CG2 3.37Å; G133-V137 PolarHBondContact O-N 2.84Å |
| 134 | I | 97.2 | Very high | 94 | Very high | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 176.2 | -74.2 | 166.7 | 0 | 0 | 0 | 110.8 | A96 F99 T130 V131 S138 | A96-I134 HydrophobicContact CB-CG2 4.27Å; F99-I134 HydrophobicContact CB-CB 4.45Å; F99-I134 HydrophobicContact CB-CD1 4.22Å; F99-I134 HydrophobicContact CB-CG1 3.91Å; F99-I134 HydrophobicContact CB-CG2 3.83Å; F99-I134 HydrophobicContact CD2-CG2 4.47Å; T130-I134 HydrophobicContact CG2-CD1 3.86Å; T130-I134 HydrophobicContact CG2-CG1 4.45Å; T130-I134 WeakPolarHBondContact O-CB 3.33Å; T130-I134 WeakPolarHBondContact O-CG1 3.48Å; T130-I134 PolarHBondContact O-N 3.29Å; V131-I134 PolarHBondContact O-N 2.94Å; I134-S138 WeakPolarHBondContact O-CB 3.31Å; I134-S138 PolarHBondContact O-N 3.37Å; I134-S138 PolarHBondContact O-OG 3.22Å |
| 135 | W | 96.9 | Very high | 93.6 | Very high | 65 Ų | 65 | 56.2 Ų | 56.2 | 25% | 0.246 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 179.9 | -82.4 | 87.9 | 0 | 0 | 0 | 112 | T52 L55 L93 V131 M132 S138 F139 | T52-W135 HydrophobicContact CG2-CZ2 4.34Å; T52-W135 WeakPolarHBondContact OG1-CZ2 3.09Å; L55-W135 HydrophobicContact CD2-CH2 3.81Å; L55-W135 HydrophobicContact CD2-CZ3 4.01Å; L93-W135 HydrophobicContact CD2-CH2 3.47Å; L93-W135 VanDerWaalsContact CD2-CH2 3.47Å; L93-W135 HydrophobicContact CD2-CZ2 4.5Å; L93-W135 HydrophobicContact CD2-CZ3 3.65Å; V131-W135 VanDerWaalsContact O-CD1 3.32Å; V131-W135 PolarHBondContact O-N 3.2Å; M132-W135 PolarHBondContact O-N 3.03Å; W135-S138 PolarHBondContact O-N 2.95Å; W135-F139 VanDerWaalsContact O-CB 3.31Å; W135-F139 WeakPolarHBondContact O-CB 3.39Å; W135-F139 PolarHBondContact O-N 2.91Å |
| 136 | M | 96.7 | Very high | 93.1 | Very high | 114 Ų | 114 | 51.6 Ų | 51.6 | 56% | 0.562 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.3 | -50.4 | 178.2 | -73.7 | -61.2 | -62.2 | 0 | 0 | 112.1 | M132 G133 F139 I140 | M132-M136 WeakPolarHBondContact O-CB 3.23Å; M132-M136 VanDerWaalsContact O-CG 3.26Å; M132-M136 WeakPolarHBondContact O-CG 3.11Å; M132-M136 PolarHBondContact O-N 2.91Å; G133-M136 PolarHBondContact O-N 3.46Å; M136-F139 PolarHBondContact O-N 3.13Å; M136-I140 HydrophobicContact CE-CD1 4.21Å; M136-I140 WeakPolarHBondContact O-CB 3.43Å; M136-I140 WeakPolarHBondContact O-CD1 3.35Å; M136-I140 WeakPolarHBondContact O-CG1 3.39Å; M136-I140 PolarHBondContact O-N 3.46Å |
| 137 | V | 96 | Very high | 92.5 | Very high | 70 Ų | 70 | 52.5 Ų | 52.5 | 42% | 0.424 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 179.9 | 171.7 | 0 | 0 | 0 | 0 | 111 | F99 G133 F139 L141 | F99-V137 HydrophobicContact CE2-CG1 4.34Å; G133-V137 WeakPolarHBondContact O-CB 3.34Å; G133-V137 VanDerWaalsContact O-CG2 3.29Å; G133-V137 WeakPolarHBondContact O-CG2 3.37Å; G133-V137 PolarHBondContact O-N 2.84Å; V137-F139 PolarHBondContact O-N 3.3Å; V137-L141 HydrophobicContact CG1-CD1 3.55Å; V137-L141 HydrophobicContact CG1-CG 4.36Å; V137-L141 WeakPolarHBondContact O-CB 3.22Å; V137-L141 WeakPolarHBondContact O-CD1 3.45Å; V137-L141 WeakPolarHBondContact O-CG 3.39Å; V137-L141 PolarHBondContact O-N 3.48Å |
| 138 | S | 96.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 179.2 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | T92 A96 I134 W135 S142 | T92-S138 WeakPolarHBondContact O-CB 3.27Å; A96-S138 WeakPolarHBondContact CA-OG 3.34Å; A96-S138 PolarHBondContact N-OG 3.14Å; I134-S138 WeakPolarHBondContact O-CB 3.31Å; I134-S138 PolarHBondContact O-N 3.37Å; I134-S138 PolarHBondContact O-OG 3.22Å; W135-S138 PolarHBondContact O-N 2.95Å; S138-S142 VanDerWaalsContact O-CB 3.25Å; S138-S142 WeakPolarHBondContact O-CB 3.46Å; S138-S142 PolarHBondContact O-N 2.87Å; S138-S142 VanDerWaalsContact O-N 3.1Å; S138-S142 PolarHBondContact O-OG 3.5Å |
| 139 | F | 94.4 | Very high | 90.9 | Very high | 116 Ų | 116 | 57.2 Ų | 57.2 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.2 | -49.8 | 178.4 | 176.9 | -103.3 | 0 | 0 | 0 | 111.8 | T92 W135 M136 V137 L141 S142 A143 | T92-F139 HydrophobicContact CG2-CB 4.1Å; W135-F139 VanDerWaalsContact O-CB 3.31Å; W135-F139 WeakPolarHBondContact O-CB 3.39Å; W135-F139 PolarHBondContact O-N 2.91Å; M136-F139 PolarHBondContact O-N 3.13Å; V137-F139 PolarHBondContact O-N 3.3Å; F139-L141 VanDerWaalsContact C-N 3.32Å; F139-L141 PolarHBondContact O-N 2.98Å; F139-S142 PolarHBondContact O-N 2.86Å; F139-A143 WeakPolarHBondContact O-CB 3.41Å; F139-A143 PolarHBondContact O-N 3.35Å |
| 140 | I | 93.9 | Very high | 89.9 | Confident | 92 Ų | 92 | 54.8 Ų | 54.8 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -55.5 | -49.7 | 179.1 | -71.2 | 165.9 | 0 | 0 | 0 | 110.1 | M136 S142 A143 L144 | M136-I140 HydrophobicContact CE-CD1 4.21Å; M136-I140 WeakPolarHBondContact O-CB 3.43Å; M136-I140 WeakPolarHBondContact O-CD1 3.35Å; M136-I140 WeakPolarHBondContact O-CG1 3.39Å; M136-I140 PolarHBondContact O-N 3.46Å; I140-S142 VanDerWaalsContact C-N 3.34Å; I140-S142 PolarHBondContact O-N 2.93Å; I140-A143 PolarHBondContact O-N 3.43Å; I140-L144 WeakPolarHBondContact O-CG 3.47Å |
| 141 | L | 92.4 | Very high | 88.6 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66 | -35.7 | -178.2 | -67.6 | 169.3 | 0 | 0 | 0 | 112.6 | L95 V137 F139 L144 F172 L179 | L95-L141 HydrophobicContact CD1-CB 4.2Å; V137-L141 HydrophobicContact CG1-CD1 3.55Å; V137-L141 HydrophobicContact CG1-CG 4.36Å; V137-L141 WeakPolarHBondContact O-CB 3.22Å; V137-L141 WeakPolarHBondContact O-CD1 3.45Å; V137-L141 WeakPolarHBondContact O-CG 3.39Å; V137-L141 PolarHBondContact O-N 3.48Å; F139-L141 VanDerWaalsContact C-N 3.32Å; F139-L141 PolarHBondContact O-N 2.98Å; L141-L144 HydrophobicContact CD2-CD1 4.04Å; L141-L144 WeakPolarHBondContact O-CD1 3.24Å; L141-F172 WeakPolarHBondContact O-CE2 3.35Å; L141-L179 HydrophobicContact CD1-CD1 3.73Å; L141-L179 HydrophobicContact CD1-CD2 4.47Å |
| 142 | S | 91.8 | Very high | 87 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -83.1 | -13.8 | -178.9 | -53 | 0 | 0 | 0 | 0 | 114 | S88 Y91 T92 S138 F139 I140 P145 | S88-S142 WeakPolarHBondContact O-CB 3.34Å; S88-S142 PolarHBondContact OG-O 3.27Å; Y91-S142 PolarHBondContact O-OG 3.15Å; T92-S142 VanDerWaalsContact CA-OG 3.29Å; T92-S142 WeakPolarHBondContact CA-OG 3.43Å; T92-S142 PolarHBondContact N-OG 3.31Å; T92-S142 VanDerWaalsContact OG1-CB 3.24Å; T92-S142 WeakPolarHBondContact OG1-CB 3.45Å; S138-S142 VanDerWaalsContact O-CB 3.25Å; S138-S142 WeakPolarHBondContact O-CB 3.46Å; S138-S142 PolarHBondContact O-N 2.87Å; S138-S142 VanDerWaalsContact O-N 3.1Å; S138-S142 PolarHBondContact O-OG 3.5Å; F139-S142 PolarHBondContact O-N 2.86Å; I140-S142 VanDerWaalsContact C-N 3.34Å; I140-S142 PolarHBondContact O-N 2.93Å; S142-P145 WeakPolarHBondContact O-CD 3.39Å |
| 143 | A | 89.2 | Confident | 85.1 | Confident | 22 Ų | 22 | 62 Ų | 62 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -80.1 | -20.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F139 I140 A146 V147 | F139-A143 WeakPolarHBondContact O-CB 3.41Å; F139-A143 PolarHBondContact O-N 3.35Å; I140-A143 PolarHBondContact O-N 3.43Å; A143-A146 WeakPolarHBondContact O-CB 3.48Å; A143-A146 PolarHBondContact O-N 3.16Å; A143-V147 PolarHBondContact O-N 2.99Å |
| 144 | L | 87.1 | Confident | 83.2 | Confident | 47 Ų | 47 | 68 Ų | 68 | 25% | 0.246 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -54.7 | -42 | -176.3 | -63.4 | 165.9 | 0 | 0 | 0 | 114.3 | I140 L141 A146 V147 G148 W149 | I140-L144 WeakPolarHBondContact O-CG 3.47Å; L141-L144 HydrophobicContact CD2-CD1 4.04Å; L141-L144 WeakPolarHBondContact O-CD1 3.24Å; L144-A146 VanDerWaalsContact C-N 3.27Å; L144-A146 PolarHBondContact O-N 2.98Å; L144-V147 PolarHBondContact O-N 2.77Å; L144-G148 PolarHBondContact O-N 2.93Å; L144-W149 HydrophobicContact CB-CB 4.29Å; L144-W149 HydrophobicContact CB-CE3 3.97Å; L144-W149 HydrophobicContact CD1-CE3 3.71Å; L144-W149 HydrophobicContact CD1-CZ3 3.71Å; L144-W149 HydrophobicContact CD2-CE3 4.19Å; L144-W149 HydrophobicContact CG-CE3 4.15Å; L144-W149 PolarHBondContact O-N 3.29Å |
| 145 | P | 83 | Confident | 81.3 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.006 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -61.8 | -31.6 | 174.2 | -25.5 | 37 | 0 | 0 | 0 | 113.8 | S142 G148 H150 I168 F172 | S142-P145 WeakPolarHBondContact O-CD 3.39Å; P145-G148 PolarHBondContact O-N 2.89Å; P145-H150 PolarHBondContact O-CD2 2.96Å; P145-I168 HydrophobicContact CB-CG2 3.81Å; P145-I168 HydrophobicContact CG-CG2 3.94Å; P145-F172 HydrophobicContact CG-CD1 4Å; P145-F172 HydrophobicContact CG-CD2 3.61Å; P145-F172 HydrophobicContact CG-CE1 3.98Å; P145-F172 HydrophobicContact CG-CE2 3.59Å; P145-F172 HydrophobicContact CG-CG 3.82Å; P145-F172 HydrophobicContact CG-CZ 3.78Å |
| 146 | A | 80.6 | Confident | 79.5 | Confident | 40 Ų | 40 | 75.2 Ų | 75.2 | 33% | 0.331 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -76.4 | -23.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | K84 A143 L144 G148 | K84-A146 HydrophobicContact CB-CB 4.45Å; K84-A146 HydrophobicContact CG-CB 4.49Å; A143-A146 WeakPolarHBondContact O-CB 3.48Å; A143-A146 PolarHBondContact O-N 3.16Å; L144-A146 VanDerWaalsContact C-N 3.27Å; L144-A146 PolarHBondContact O-N 2.98Å; A146-G148 VanDerWaalsContact C-N 3.27Å |
| 147 | V | 81.1 | Confident | 77.8 | Confident | 127 Ų | 127 | 70.2 Ų | 70.2 | 77% | 0.77 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -81.8 | -7.3 | 173.4 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | A143 L144 | A143-V147 PolarHBondContact O-N 2.99Å; L144-V147 PolarHBondContact O-N 2.77Å |
| 148 | G | 74.3 | Confident | 75.9 | Confident | 32 Ų | 32 | 69.5 Ų | 69.5 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.2 | 12.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L144 P145 A146 H150 | L144-G148 PolarHBondContact O-N 2.93Å; P145-G148 PolarHBondContact O-N 2.89Å; A146-G148 VanDerWaalsContact C-N 3.27Å; G148-H150 PolarHBondContact O-N 3.32Å |
| 149 | W | 78.3 | Confident | 74 | Confident | 136 Ų | 136 | 77.3 Ų | 77.3 | 52% | 0.515 | 40% | 0.402 | S | S | . | . | trans | -79.1 | 64 | 164.6 | -168.3 | 6.7 | 0 | 0 | 0 | 110.4 | L144 | L144-W149 HydrophobicContact CB-CB 4.29Å; L144-W149 HydrophobicContact CB-CE3 3.97Å; L144-W149 HydrophobicContact CD1-CE3 3.71Å; L144-W149 HydrophobicContact CD1-CZ3 3.71Å; L144-W149 HydrophobicContact CD2-CE3 4.19Å; L144-W149 HydrophobicContact CG-CE3 4.15Å; L144-W149 PolarHBondContact O-N 3.29Å | ||
| 150 | H | 73.6 | Confident | 72.7 | Confident | 42 Ų | 42 | 72.8 Ų | 72.8 | 19% | 0.194 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -140.1 | 167 | 175.1 | 60.2 | 21.7 | 0 | 0 | 0 | 108.7 | P145 G148 T152 Y157 I168 | P145-H150 PolarHBondContact O-CD2 2.96Å; G148-H150 PolarHBondContact O-N 3.32Å; H150-T152 PolarHBondContact O-N 3.34Å; H150-Y157 AromaticContact CD2-CE2 3.76Å; H150-Y157 AromaticContact NE2-CE2 3.85Å; H150-I168 CarbonylContact C-O 3.56Å; H150-I168 WeakPolarHBondContact CA-O 3.35Å; H150-I168 HydrophobicContact CB-CG2 4.27Å; H150-I168 WeakPolarHBondContact CB-O 3.46Å |
| 151 | D | 68.7 | Low | 71.8 | Confident | 91 Ų | 91 | 69 Ų | 69 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | trans | -61.4 | 127.7 | 171.7 | -155.8 | -49.5 | 0 | 0 | 0 | 110.2 | S153 I168 | D151-S153 VanDerWaalsContact OD1-CB 3.3Å; D151-S153 WeakPolarHBondContact OD1-CB 3.11Å; D151-S153 PolarHBondContact OD1-N 3.42Å; D151-S153 PolarHBondContact OD1-OG 3.03Å; D151-I168 PolarHBondContact N-O 3.27Å; D151-I168 VanDerWaalsContact N-O 3.09Å | ||
| 152 | T | 62.1 | Low | 71 | Confident | 116 Ų | 116 | 73.7 Ų | 73.7 | 71% | 0.712 | 38% | 0.384 | S | S | * | . | trans | -96.5 | -2.5 | -175.1 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | H150 | H150-T152 PolarHBondContact O-N 3.34Š| ||
| 153 | S | 55.9 | Low | 70.4 | Confident | 99 Ų | 99 | 73.9 Ų | 73.9 | 69% | 0.692 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -68.9 | -34.6 | -178.5 | 57 | 0 | 0 | 0 | 0 | 113.3 | D151 | D151-S153 VanDerWaalsContact OD1-CB 3.3Å; D151-S153 WeakPolarHBondContact OD1-CB 3.11Å; D151-S153 PolarHBondContact OD1-N 3.42Å; D151-S153 PolarHBondContact OD1-OG 3.03Å |
| 154 | E | 56.5 | Low | 70.1 | Confident | 160 Ų | 160 | 73.3 Ų | 73.3 | 75% | 0.748 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -115.6 | 147.8 | 168.7 | -63.5 | -160.7 | 168.8 | 0 | 0 | 111 | F156 | E154-F156 PolarHBondContact O-N 3.02Š|
| 155 | R | 58 | Low | 69.6 | Low | 207 Ų | 207 | 71.1 Ų | 71.1 | 78% | 0.781 | 37% | 0.368 | S | S | * | . | trans | -75.6 | 82.1 | 171.3 | -68 | -176.8 | -174.4 | 150.5 | 0.5 | 109.3 | Y157 T158 | R155-Y157 PolarHBondContact O-N 3.46Å; R155-T158 HydrophobicContact CB-CG2 3.66Å; R155-T158 WeakPolarHBondContact CB-OG1 3.37Å; R155-T158 HydrophobicContact CG-CG2 4.4Å; R155-T158 PolarHBondContact O-N 3.03Å; R155-T158 PolarHBondContact O-OG1 3.26Å; R155-T158 VanDerWaalsContact O-OG1 3.05Å | ||
| 156 | F | 59 | Low | 68.6 | Low | 27 Ų | 27 | 71.5 Ų | 71.5 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -41.1 | -31.6 | -178.3 | 176.2 | -99.8 | 0 | 0 | 0 | 115.5 | E154 R162 E167 I168 | E154-F156 PolarHBondContact O-N 3.02Å; F156-R162 WeakPolarHBondContact CE2-O 3.27Å; F156-R162 WeakPolarHBondContact CZ-O 3.08Å; F156-E167 HydrophobicContact CD2-CB 4.35Å; F156-E167 WeakPolarHBondContact CD2-O 3.41Å; F156-E167 HydrophobicContact CE2-CB 3.81Å; F156-E167 WeakPolarHBondContact CE2-O 3.37Å; F156-I168 HydrophobicContact CE1-CG1 4.26Å; F156-I168 HydrophobicContact CE2-CG1 3.85Å; F156-I168 HydrophobicContact CZ-CB 4.49Å; F156-I168 HydrophobicContact CZ-CD1 4.46Å; F156-I168 HydrophobicContact CZ-CG1 3.47Å; F156-I168 VanDerWaalsContact CZ-CG1 3.47Å |
| 157 | Y | 61.5 | Low | 68 | Low | 8 Ų | 8 | 72.4 Ų | 72.4 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -6.3 | -178 | -61.5 | -71.9 | 0 | 0 | 0 | 116.2 | E80 C83 K84 H150 R155 | E80-Y157 HydrophobicContact CG-CG 4.14Å; C83-Y157 HydrophobicContact CB-CD1 3.83Å; C83-Y157 HydrophobicContact CB-CE1 4.34Å; C83-Y157 VanDerWaalsContact SG-CD1 3.55Å; K84-Y157 HydrophobicContact CB-CE1 4.28Å; K84-Y157 HydrophobicContact CD-CD2 4.39Å; K84-Y157 HydrophobicContact CD-CE2 4.18Å; K84-Y157 HydrophobicContact CG-CD1 3.83Å; K84-Y157 HydrophobicContact CG-CD2 4.12Å; K84-Y157 HydrophobicContact CG-CE1 3.43Å; K84-Y157 VanDerWaalsContact CG-CE1 3.43Å; K84-Y157 HydrophobicContact CG-CE2 3.74Å; K84-Y157 HydrophobicContact CG-CG 4.16Å; H150-Y157 AromaticContact CD2-CE2 3.76Å; H150-Y157 AromaticContact NE2-CE2 3.85Å; R155-Y157 PolarHBondContact O-N 3.46Å |
| 158 | T | 55.2 | Low | 67.7 | Low | 55 Ų | 55 | 66.4 Ų | 66.4 | 34% | 0.337 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -90.3 | -17.4 | -171.2 | 58.4 | 0 | 0 | 0 | 0 | 115.8 | R155 | R155-T158 HydrophobicContact CB-CG2 3.66Å; R155-T158 WeakPolarHBondContact CB-OG1 3.37Å; R155-T158 HydrophobicContact CG-CG2 4.4Å; R155-T158 PolarHBondContact O-N 3.03Å; R155-T158 PolarHBondContact O-OG1 3.26Å; R155-T158 VanDerWaalsContact O-OG1 3.05Å |
| 159 | H | 57.1 | Low | 67.9 | Low | 165 Ų | 165 | 65.4 Ų | 65.4 | 76% | 0.764 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -126.8 | 55.9 | -175.2 | -64.1 | -50.4 | 0 | 0 | 0 | 113.4 | ||
| 160 | G | 66.6 | Low | 68.1 | Low | 21 Ų | 21 | 64.6 Ų | 64.6 | 22% | 0.216 | 33% | 0.326 | C | S | . | . | trans | 82.7 | 137.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R162 | G160-R162 PolarHBondContact O-N 3.34Š| ||
| 161 | C | 75 | Confident | 68.6 | Low | 12 Ų | 12 | 64.5 Ų | 64.5 | 8% | 0.081 | 34% | 0.336 | C | S | . | . | trans | -74.1 | 98.3 | -172 | -163.5 | 0 | 0 | 0 | 0 | 112.9 | W78 C83 | W78-C161 HydrophobicContact CB-CB 4.14Å; W78-C161 HydrophobicContact CD2-CB 3.23Å; W78-C161 VanDerWaalsContact CE2-CB 3.45Å; W78-C161 HydrophobicContact CE3-CB 3.58Å; W78-C161 HydrophobicContact CG-CB 3.5Å; W78-C161 HydrophobicContact CH2-CB 4.28Å; W78-C161 HydrophobicContact CZ2-CB 4Å; W78-C161 HydrophobicContact CZ3-CB 4.09Å; C83-C161 WeakPolarHBondContact CA-SG 3.44Å; C83-C161 HydrophobicContact CB-CB 3.66Å; C83-C161 WeakPolarHBondContact CB-SG 3.48Å; C83-C161 WeakPolarHBondContact SG-CA 3.09Å; C83-C161 WeakPolarHBondContact SG-CB 3.4Å; C83-C161 CovalentContact SG-SG 2.03Å; C83-C161 PolarHBondContact SG-SG 3.45Å | ||
| 162 | R | 76.6 | Confident | 69.5 | Low | 138 Ų | 138 | 60.7 Ų | 60.7 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | trans | -96 | 100.6 | 169.9 | -65.3 | -175.5 | -176.3 | -177.2 | 7 | 109.6 | F156 G160 I164 E167 | F156-R162 WeakPolarHBondContact CE2-O 3.27Å; F156-R162 WeakPolarHBondContact CZ-O 3.08Å; G160-R162 PolarHBondContact O-N 3.34Å; R162-I164 VanDerWaalsContact C-N 3.33Å; R162-I164 PolarHBondContact O-N 2.99Å; R162-E167 VanDerWaalsContact CD-CD 3.44Å; R162-E167 WeakPolarHBondContact CD-OE1 3.3Å; R162-E167 WeakPolarHBondContact CD-OE2 3.4Å; R162-E167 IonicContact CZ-OE1 3.72Å; R162-E167 IonicContact CZ-OE2 3.13Å; R162-E167 IonicContact NE-OE2 3.82Å; R162-E167 VanDerWaalsContact NH1-CD 3.3Å; R162-E167 IonicContact NH1-OE1 2.91Å; R162-E167 PolarHBondContact NH1-OE1 2.91Å; R162-E167 IonicContact NH1-OE2 3.82Å; R162-E167 PolarHBondContact NH1-OE2 3.42Å | ||
| 163 | F | 80.1 | Confident | 70.7 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 2% | 0.022 | 28% | 0.282 | C | S | . | . | trans | -86.3 | 4.8 | -174.6 | 69.8 | -84.4 | 0 | 0 | 0 | 115 | Y64 F86 V87 F90 Y91 A279 L283 | Y64-F163 HydrophobicContact CD2-CE1 4.28Å; Y64-F163 HydrophobicContact CE2-CD1 4.25Å; Y64-F163 AromaticContact CE2-CE1 3.8Å; Y64-F163 HydrophobicContact CE2-CE1 3.8Å; F86-F163 HydrophobicContact CD1-CB 4.42Å; F86-F163 HydrophobicContact CE1-CB 3.75Å; F86-F163 AromaticContact CE1-CD1 3.59Å; F86-F163 HydrophobicContact CE1-CD1 3.59Å; F86-F163 HydrophobicContact CE1-CD2 4.48Å; F86-F163 HydrophobicContact CE1-CE1 4.29Å; F86-F163 AromaticContact CE1-CG 3.7Å; F86-F163 HydrophobicContact CE1-CG 3.7Å; F86-F163 AromaticContact CZ-CD1 3.94Å; F86-F163 HydrophobicContact CZ-CD1 3.94Å; F86-F163 HydrophobicContact CZ-CE1 4.19Å; F86-F163 HydrophobicContact CZ-CG 4.14Å; V87-F163 HydrophobicContact CG2-CB 3.82Å; F90-F163 AromaticContact CD1-CD2 3.95Å; F90-F163 HydrophobicContact CD1-CD2 3.95Å; F90-F163 HydrophobicContact CD1-CE2 4.2Å; F90-F163 HydrophobicContact CE1-CD2 4.07Å; F90-F163 AromaticContact CE1-CE2 3.95Å; F90-F163 HydrophobicContact CE1-CE2 3.95Å; F90-F163 HydrophobicContact CZ-CE2 4.21Å; Y91-F163 WeakPolarHBondContact CE2-O 3.29Å; Y91-F163 PolarHBondContact OH-O 3.41Å; F163-A279 HydrophobicContact CE1-CB 3.75Å; F163-A279 HydrophobicContact CZ-CB 3.77Å; F163-L283 HydrophobicContact CE1-CD1 4.49Å; F163-L283 HydrophobicContact CZ-CD1 4.22Å; F163-L283 HydrophobicContact CZ-CD2 4.29Å; F163-L283 HydrophobicContact CZ-CG 4.12Å | ||
| 164 | I | 81.9 | Confident | 72.3 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -77.2 | 140.6 | -175.5 | -57.3 | -61.9 | 0 | 0 | 0 | 110.7 | R162 A166 E167 S268 M278 A279 | R162-I164 VanDerWaalsContact C-N 3.33Å; R162-I164 PolarHBondContact O-N 2.99Å; I164-A166 VanDerWaalsContact C-N 3.3Å; I164-A166 PolarHBondContact O-N 3.4Å; I164-A166 VanDerWaalsContact O-N 3.12Å; I164-E167 PolarHBondContact O-N 2.9Å; I164-E167 VanDerWaalsContact O-N 3.11Å; I164-S268 WeakPolarHBondContact CG2-OG 3.05Å; I164-M278 HydrophobicContact CD1-CB 4.45Å; I164-A279 HydrophobicContact CD1-CB 4.19Å |
| 165 | V | 75.7 | Confident | 74 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -50.6 | -38.6 | -169.2 | 178.2 | 0 | 0 | 0 | 0 | 115.4 | Y91 E167 I168 F176 S265 L269 | Y91-V165 HydrophobicContact CE1-CG2 3.92Å; Y91-V165 WeakPolarHBondContact OH-CG2 3.47Å; Y91-V165 PolarHBondContact OH-N 2.81Å; V165-E167 VanDerWaalsContact C-N 3.29Å; V165-E167 PolarHBondContact O-N 3.41Å; V165-I168 PolarHBondContact O-N 2.85Å; V165-F176 HydrophobicContact CG2-CD1 3.96Å; V165-F176 HydrophobicContact CG2-CE1 4.14Å; V165-S265 WeakPolarHBondContact CG2-OG 3.27Å; V165-L269 HydrophobicContact CG1-CD1 3.75Å; V165-L269 HydrophobicContact CG1-CD2 4.17Å; V165-L269 HydrophobicContact CG1-CG 3.95Å |
| 166 | A | 62.6 | Low | 75.6 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 7% | 0.066 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -41.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I164 I168 G169 S268 | I164-A166 VanDerWaalsContact C-N 3.3Å; I164-A166 PolarHBondContact O-N 3.4Å; I164-A166 VanDerWaalsContact O-N 3.12Å; A166-I168 VanDerWaalsContact C-N 3.27Å; A166-I168 PolarHBondContact O-N 2.87Å; A166-G169 PolarHBondContact O-N 3.18Å; A166-S268 WeakPolarHBondContact CB-O 3.26Å; A166-S268 WeakPolarHBondContact CB-OG 3.48Å |
| 167 | E | 69.1 | Low | 77.2 | Confident | 59 Ų | 59 | 38.4 Ų | 38.4 | 28% | 0.276 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -78.8 | -16 | -172.2 | -51.9 | -142.6 | -156.8 | 0 | 0 | 112 | F156 R162 I164 V165 S274 | F156-E167 HydrophobicContact CD2-CB 4.35Å; F156-E167 WeakPolarHBondContact CD2-O 3.41Å; F156-E167 HydrophobicContact CE2-CB 3.81Å; F156-E167 WeakPolarHBondContact CE2-O 3.37Å; R162-E167 VanDerWaalsContact CD-CD 3.44Å; R162-E167 WeakPolarHBondContact CD-OE1 3.3Å; R162-E167 WeakPolarHBondContact CD-OE2 3.4Å; R162-E167 IonicContact CZ-OE1 3.72Å; R162-E167 IonicContact CZ-OE2 3.13Å; R162-E167 IonicContact NE-OE2 3.82Å; R162-E167 VanDerWaalsContact NH1-CD 3.3Å; R162-E167 IonicContact NH1-OE1 2.91Å; R162-E167 PolarHBondContact NH1-OE1 2.91Å; R162-E167 IonicContact NH1-OE2 3.82Å; R162-E167 PolarHBondContact NH1-OE2 3.42Å; I164-E167 PolarHBondContact O-N 2.9Å; I164-E167 VanDerWaalsContact O-N 3.11Å; V165-E167 VanDerWaalsContact C-N 3.29Å; V165-E167 PolarHBondContact O-N 3.41Å; E167-S274 VanDerWaalsContact OE1-CB 3.28Å; E167-S274 WeakPolarHBondContact OE1-CB 3.36Å; E167-S274 PolarHBondContact OE1-OG 3.39Å |
| 168 | I | 74.7 | Confident | 78.8 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -77.8 | -35.7 | 174.4 | -60.5 | 169.4 | 0 | 0 | 0 | 110.9 | V87 Y91 P145 H150 D151 F156 V165 A166 F172 | V87-I168 HydrophobicContact CG1-CD1 4.14Å; Y91-I168 HydrophobicContact CD2-CD1 4.42Å; Y91-I168 HydrophobicContact CE2-CD1 3.55Å; P145-I168 HydrophobicContact CB-CG2 3.81Å; P145-I168 HydrophobicContact CG-CG2 3.94Å; H150-I168 CarbonylContact C-O 3.56Å; H150-I168 WeakPolarHBondContact CA-O 3.35Å; H150-I168 HydrophobicContact CB-CG2 4.27Å; H150-I168 WeakPolarHBondContact CB-O 3.46Å; D151-I168 PolarHBondContact N-O 3.27Å; D151-I168 VanDerWaalsContact N-O 3.09Å; F156-I168 HydrophobicContact CE1-CG1 4.26Å; F156-I168 HydrophobicContact CE2-CG1 3.85Å; F156-I168 HydrophobicContact CZ-CB 4.49Å; F156-I168 HydrophobicContact CZ-CD1 4.46Å; F156-I168 HydrophobicContact CZ-CG1 3.47Å; F156-I168 VanDerWaalsContact CZ-CG1 3.47Å; V165-I168 PolarHBondContact O-N 2.85Å; A166-I168 VanDerWaalsContact C-N 3.27Å; A166-I168 PolarHBondContact O-N 2.87Å; I168-F172 HydrophobicContact CB-CD1 4.27Å; I168-F172 HydrophobicContact CD1-CD1 4.31Å; I168-F172 HydrophobicContact CD1-CE1 4.09Å; I168-F172 HydrophobicContact CG2-CB 4.29Å; I168-F172 HydrophobicContact CG2-CD1 3.66Å; I168-F172 HydrophobicContact CG2-CE1 4.34Å; I168-F172 HydrophobicContact CG2-CG 4.17Å |
| 169 | G | 76.8 | Confident | 80.7 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | trans | 127.2 | 148.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A166 G171 F172 G173 | A166-G169 PolarHBondContact O-N 3.18Å; G169-G171 PolarHBondContact O-N 3.03Å; G169-F172 PolarHBondContact O-N 3.49Å; G169-G173 PolarHBondContact O-N 3.06Å; G169-G173 VanDerWaalsContact O-N 3.07Å | ||
| 170 | L | 82.8 | Confident | 82.4 | Confident | 120 Ų | 120 | 35.9 Ų | 35.9 | 63% | 0.628 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -55.9 | -42.2 | -169.5 | -175.7 | 64.9 | 0 | 0 | 0 | 114.1 | G173 V174 L269 | L170-G173 PolarHBondContact O-N 3.18Å; L170-V174 HydrophobicContact CD1-CG2 3.93Å; L170-V174 HydrophobicContact CG-CG2 4.35Å; L170-V174 WeakPolarHBondContact O-CG2 3.33Å; L170-V174 PolarHBondContact O-N 3.38Å; L170-L269 HydrophobicContact CD1-CD2 4.12Å |
| 171 | G | 84.3 | Confident | 83.8 | Confident | 39 Ų | 39 | 35.8 Ų | 35.8 | 40% | 0.402 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64 | -49.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | G169 G173 C175 | G169-G171 PolarHBondContact O-N 3.03Å; G171-G173 VanDerWaalsContact C-N 3.34Å; G171-C175 WeakPolarHBondContact O-CB 3.31Å; G171-C175 PolarHBondContact O-N 3.07Å |
| 172 | F | 87.3 | Confident | 84.8 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 173.6 | 175.3 | -102.9 | 0 | 0 | 0 | 110.8 | Y91 L141 P145 I168 G169 V174 C175 F176 | Y91-F172 HydrophobicContact CD1-CE1 4.36Å; Y91-F172 HydrophobicContact CD1-CZ 4.29Å; Y91-F172 HydrophobicContact CD2-CE1 4.44Å; Y91-F172 HydrophobicContact CD2-CZ 4.46Å; Y91-F172 HydrophobicContact CE1-CE1 4.37Å; Y91-F172 HydrophobicContact CE2-CE1 4.48Å; Y91-F172 HydrophobicContact CG-CE1 4.41Å; Y91-F172 HydrophobicContact CG-CZ 4.16Å; L141-F172 WeakPolarHBondContact O-CE2 3.35Å; P145-F172 HydrophobicContact CG-CD1 4Å; P145-F172 HydrophobicContact CG-CD2 3.61Å; P145-F172 HydrophobicContact CG-CE1 3.98Å; P145-F172 HydrophobicContact CG-CE2 3.59Å; P145-F172 HydrophobicContact CG-CG 3.82Å; P145-F172 HydrophobicContact CG-CZ 3.78Å; I168-F172 HydrophobicContact CB-CD1 4.27Å; I168-F172 HydrophobicContact CD1-CD1 4.31Å; I168-F172 HydrophobicContact CD1-CE1 4.09Å; I168-F172 HydrophobicContact CG2-CB 4.29Å; I168-F172 HydrophobicContact CG2-CD1 3.66Å; I168-F172 HydrophobicContact CG2-CE1 4.34Å; I168-F172 HydrophobicContact CG2-CG 4.17Å; G169-F172 PolarHBondContact O-N 3.49Å; F172-V174 PolarHBondContact O-N 3.19Å; F172-C175 WeakPolarHBondContact O-CB 3.28Å; F172-C175 PolarHBondContact O-N 2.86Å; F172-F176 WeakPolarHBondContact O-CB 3.44Å; F172-F176 PolarHBondContact O-N 3.35Å |
| 173 | G | 88.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | G169 L170 G171 L177 | G169-G173 PolarHBondContact O-N 3.06Å; G169-G173 VanDerWaalsContact O-N 3.07Å; L170-G173 PolarHBondContact O-N 3.18Å; G171-G173 VanDerWaalsContact C-N 3.34Å; G173-L177 WeakPolarHBondContact O-CB 3.29Å; G173-L177 WeakPolarHBondContact O-CG 3.49Å; G173-L177 PolarHBondContact O-N 2.74Å |
| 174 | V | 89.8 | Confident | 86.5 | Confident | 66 Ų | 66 | 31.2 Ų | 31.2 | 40% | 0.4 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.9 | -42.2 | 174 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L170 F172 L177 L178 | L170-V174 HydrophobicContact CD1-CG2 3.93Å; L170-V174 HydrophobicContact CG-CG2 4.35Å; L170-V174 WeakPolarHBondContact O-CG2 3.33Å; L170-V174 PolarHBondContact O-N 3.38Å; F172-V174 PolarHBondContact O-N 3.19Å; V174-L177 PolarHBondContact O-N 3.02Å; V174-L178 HydrophobicContact CG1-CD1 4.06Å; V174-L178 HydrophobicContact CG1-CG 4.49Å; V174-L178 VanDerWaalsContact O-CG 3.32Å; V174-L178 WeakPolarHBondContact O-CG 3.49Å; V174-L178 PolarHBondContact O-N 3.29Å |
| 175 | C | 91.4 | Very high | 87.1 | Confident | 43 Ų | 43 | 34.7 Ų | 34.7 | 29% | 0.291 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.5 | -50.2 | 175.4 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | G171 F172 L177 L178 L179 | G171-C175 WeakPolarHBondContact O-CB 3.31Å; G171-C175 PolarHBondContact O-N 3.07Å; F172-C175 WeakPolarHBondContact O-CB 3.28Å; F172-C175 PolarHBondContact O-N 2.86Å; C175-L177 PolarHBondContact O-N 3.5Å; C175-L178 PolarHBondContact O-N 3.17Å; C175-L179 WeakPolarHBondContact O-CD1 3.42Å; C175-L179 VanDerWaalsContact O-CG 3.27Å; C175-L179 WeakPolarHBondContact O-CG 3.21Å; C175-L179 PolarHBondContact O-N 3.29Å |
| 176 | F | 91.8 | Very high | 88.1 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 177.5 | 176.3 | -104.6 | 0 | 0 | 0 | 112.6 | Y91 T94 L95 V165 F172 L178 L179 V180 V261 | Y91-F176 AromaticContact CD1-CD2 3.89Å; Y91-F176 HydrophobicContact CD1-CD2 3.89Å; Y91-F176 HydrophobicContact CD1-CE1 4.22Å; Y91-F176 AromaticContact CD1-CE2 3.51Å; Y91-F176 HydrophobicContact CD1-CE2 3.51Å; Y91-F176 HydrophobicContact CD1-CG 4.39Å; Y91-F176 AromaticContact CD1-CZ 3.69Å; Y91-F176 HydrophobicContact CD1-CZ 3.69Å; Y91-F176 HydrophobicContact CE1-CD1 4.19Å; Y91-F176 HydrophobicContact CE1-CD2 4.32Å; Y91-F176 AromaticContact CE1-CE1 3.83Å; Y91-F176 HydrophobicContact CE1-CE1 3.83Å; Y91-F176 HydrophobicContact CE1-CE2 4Å; Y91-F176 HydrophobicContact CE1-CG 4.41Å; Y91-F176 AromaticContact CE1-CZ 3.73Å; Y91-F176 HydrophobicContact CE1-CZ 3.73Å; T94-F176 HydrophobicContact CG2-CE2 3.86Å; T94-F176 HydrophobicContact CG2-CZ 3.64Å; L95-F176 HydrophobicContact CD1-CD2 4.49Å; L95-F176 HydrophobicContact CD2-CD2 3.91Å; L95-F176 HydrophobicContact CD2-CE2 3.87Å; L95-F176 HydrophobicContact CG-CD2 4.2Å; L95-F176 HydrophobicContact CG-CE2 4.04Å; V165-F176 HydrophobicContact CG2-CD1 3.96Å; V165-F176 HydrophobicContact CG2-CE1 4.14Å; F172-F176 WeakPolarHBondContact O-CB 3.44Å; F172-F176 PolarHBondContact O-N 3.35Å; F176-L178 VanDerWaalsContact C-N 3.34Å; F176-L178 PolarHBondContact O-N 2.77Å; F176-L179 PolarHBondContact O-N 3.23Å; F176-V180 HydrophobicContact CD2-CG2 4.13Å; F176-V180 HydrophobicContact CE1-CG2 4.12Å; F176-V180 HydrophobicContact CE2-CG2 3.63Å; F176-V180 HydrophobicContact CZ-CG2 3.64Å; F176-V180 WeakPolarHBondContact O-CG2 3.35Å; F176-V180 PolarHBondContact O-N 3.29Å; F176-V261 HydrophobicContact CE1-CG1 3.74Å; F176-V261 HydrophobicContact CZ-CG1 3.85Å |
| 177 | L | 92.8 | Very high | 89.7 | Confident | 29 Ų | 29 | 39.4 Ų | 39.4 | 15% | 0.152 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.6 | -43 | 174.8 | -84.4 | 178.3 | 0 | 0 | 0 | 112.6 | G173 V174 C175 G181 L262 F266 L269 | G173-L177 WeakPolarHBondContact O-CB 3.29Å; G173-L177 WeakPolarHBondContact O-CG 3.49Å; G173-L177 PolarHBondContact O-N 2.74Å; V174-L177 PolarHBondContact O-N 3.02Å; C175-L177 PolarHBondContact O-N 3.5Å; L177-G181 WeakPolarHBondContact O-CA 3.3Å; L177-G181 PolarHBondContact O-N 3.11Å; L177-L262 HydrophobicContact CD2-CD2 3.62Å; L177-F266 HydrophobicContact CD1-CB 4.28Å; L177-F266 HydrophobicContact CD1-CD2 4.47Å; L177-F266 HydrophobicContact CD2-CB 4.44Å; L177-L269 HydrophobicContact CD1-CD1 3.59Å; L177-L269 HydrophobicContact CG-CD1 4.34Å |
| 178 | L | 94.6 | Very high | 91 | Very high | 125 Ų | 125 | 40.1 Ų | 40.1 | 65% | 0.654 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -67.4 | -37.4 | 178.8 | -71.4 | 171.9 | 0 | 0 | 0 | 112.1 | V174 C175 F176 G182 | V174-L178 HydrophobicContact CG1-CD1 4.06Å; V174-L178 HydrophobicContact CG1-CG 4.49Å; V174-L178 VanDerWaalsContact O-CG 3.32Å; V174-L178 WeakPolarHBondContact O-CG 3.49Å; V174-L178 PolarHBondContact O-N 3.29Å; C175-L178 PolarHBondContact O-N 3.17Å; F176-L178 VanDerWaalsContact C-N 3.34Å; F176-L178 PolarHBondContact O-N 2.77Å; L178-G182 WeakPolarHBondContact O-CA 3.16Å; L178-G182 PolarHBondContact O-N 2.82Å |
| 179 | L | 94.8 | Very high | 92.1 | Very high | 49 Ų | 49 | 43.7 Ų | 43.7 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.4 | -45 | 178.1 | -67 | 162.9 | 0 | 0 | 0 | 112.1 | L95 F99 L141 C175 F176 S183 | L95-L179 HydrophobicContact CD2-CB 4.03Å; F99-L179 HydrophobicContact CZ-CB 4.23Å; F99-L179 HydrophobicContact CZ-CD2 4.17Å; L141-L179 HydrophobicContact CD1-CD1 3.73Å; L141-L179 HydrophobicContact CD1-CD2 4.47Å; C175-L179 WeakPolarHBondContact O-CD1 3.42Å; C175-L179 VanDerWaalsContact O-CG 3.27Å; C175-L179 WeakPolarHBondContact O-CG 3.21Å; C175-L179 PolarHBondContact O-N 3.29Å; F176-L179 PolarHBondContact O-N 3.23Å; L179-S183 VanDerWaalsContact O-CB 3.3Å; L179-S183 WeakPolarHBondContact O-CB 3.33Å; L179-S183 PolarHBondContact O-N 3.21Å; L179-S183 PolarHBondContact O-OG 3.17Å |
| 180 | V | 94.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 175.4 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | L95 F176 S183 V184 L262 | L95-V180 HydrophobicContact CD2-CG2 3.94Å; F176-V180 HydrophobicContact CD2-CG2 4.13Å; F176-V180 HydrophobicContact CE1-CG2 4.12Å; F176-V180 HydrophobicContact CE2-CG2 3.63Å; F176-V180 HydrophobicContact CZ-CG2 3.64Å; F176-V180 WeakPolarHBondContact O-CG2 3.35Å; F176-V180 PolarHBondContact O-N 3.29Å; V180-S183 WeakPolarHBondContact CA-OG 3.35Å; V180-S183 PolarHBondContact O-N 3.03Å; V180-S183 PolarHBondContact O-OG 3.02Å; V180-V184 HydrophobicContact CG1-CG2 4.42Å; V180-V184 WeakPolarHBondContact O-CB 3.42Å; V180-V184 VanDerWaalsContact O-CG2 3.26Å; V180-V184 WeakPolarHBondContact O-CG2 3.2Å; V180-V184 PolarHBondContact O-N 3.36Å; V180-L262 HydrophobicContact CB-CD2 3.95Å; V180-L262 HydrophobicContact CB-CG 4.48Å; V180-L262 HydrophobicContact CG1-CD1 4.32Å; V180-L262 HydrophobicContact CG1-CD2 3.86Å; V180-L262 HydrophobicContact CG1-CG 3.83Å |
| 181 | G | 95.4 | Very high | 93.8 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L177 T185 | L177-G181 WeakPolarHBondContact O-CA 3.3Å; L177-G181 PolarHBondContact O-N 3.11Å; G181-T185 WeakPolarHBondContact O-CB 3.22Å; G181-T185 WeakPolarHBondContact O-CG2 3.44Å; G181-T185 PolarHBondContact O-N 3.02Å; G181-T185 PolarHBondContact O-OG1 3.12Å |
| 182 | G | 95.8 | Very high | 94.4 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 32% | 0.32 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | L178 T185 M186 | L178-G182 WeakPolarHBondContact O-CA 3.16Å; L178-G182 PolarHBondContact O-N 2.82Å; G182-T185 WeakPolarHBondContact CA-OG1 3.26Å; G182-T185 PolarHBondContact O-OG1 3.45Å; G182-T185 VanDerWaalsContact O-OG1 3.08Å; G182-M186 VanDerWaalsContact O-CB 3.28Å; G182-M186 WeakPolarHBondContact O-CB 3.44Å; G182-M186 WeakPolarHBondContact O-CG 3.46Å; G182-M186 PolarHBondContact O-N 3.49Å |
| 183 | S | 95.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.8 | -42 | 178.8 | 52.5 | 0 | 0 | 0 | 0 | 113 | C98 T102 L179 V180 G187 | C98-S183 WeakPolarHBondContact CB-OG 3.49Å; T102-S183 VanDerWaalsContact OG1-C 3.31Å; T102-S183 WeakPolarHBondContact OG1-CA 3.33Å; T102-S183 WeakPolarHBondContact OG1-CB 3.47Å; T102-S183 PolarHBondContact OG1-O 3.34Å; L179-S183 VanDerWaalsContact O-CB 3.3Å; L179-S183 WeakPolarHBondContact O-CB 3.33Å; L179-S183 PolarHBondContact O-N 3.21Å; L179-S183 PolarHBondContact O-OG 3.17Å; V180-S183 WeakPolarHBondContact CA-OG 3.35Å; V180-S183 PolarHBondContact O-N 3.03Å; V180-S183 PolarHBondContact O-OG 3.02Å; S183-G187 PolarHBondContact O-N 2.93Å |
| 184 | V | 95.8 | Very high | 95.1 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -52.5 | 172.6 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | V180 M186 G187 V188 D254 | V180-V184 HydrophobicContact CG1-CG2 4.42Å; V180-V184 WeakPolarHBondContact O-CB 3.42Å; V180-V184 VanDerWaalsContact O-CG2 3.26Å; V180-V184 WeakPolarHBondContact O-CG2 3.2Å; V180-V184 PolarHBondContact O-N 3.36Å; V184-M186 PolarHBondContact O-N 2.92Å; V184-G187 PolarHBondContact O-N 3.26Å; V184-G187 VanDerWaalsContact O-N 3.12Å; V184-V188 WeakPolarHBondContact O-CG2 2.9Å; V184-V188 PolarHBondContact O-N 3.25Å; V184-D254 HydrophobicContact CG1-CB 4.16Å |
| 185 | T | 96.3 | Very high | 95.4 | Very high | 84 Ų | 84 | 41 Ų | 41 | 52% | 0.515 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | -179 | 49 | 0 | 0 | 0 | 0 | 112.5 | G181 G182 V189 | G181-T185 WeakPolarHBondContact O-CB 3.22Å; G181-T185 WeakPolarHBondContact O-CG2 3.44Å; G181-T185 PolarHBondContact O-N 3.02Å; G181-T185 PolarHBondContact O-OG1 3.12Å; G182-T185 WeakPolarHBondContact CA-OG1 3.26Å; G182-T185 PolarHBondContact O-OG1 3.45Å; G182-T185 VanDerWaalsContact O-OG1 3.08Å; T185-V189 WeakPolarHBondContact O-CB 3.4Å; T185-V189 VanDerWaalsContact O-CG2 3.29Å; T185-V189 WeakPolarHBondContact O-CG2 3.45Å; T185-V189 PolarHBondContact O-N 2.98Å |
| 186 | M | 96.9 | Very high | 95.5 | Very high | 106 Ų | 106 | 45.7 Ų | 45.7 | 52% | 0.522 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 173.9 | -71.4 | -63 | -64.6 | 0 | 0 | 112.5 | T102 G182 V184 V189 C190 | T102-M186 HydrophobicContact CG2-CB 3.81Å; G182-M186 VanDerWaalsContact O-CB 3.28Å; G182-M186 WeakPolarHBondContact O-CB 3.44Å; G182-M186 WeakPolarHBondContact O-CG 3.46Å; G182-M186 PolarHBondContact O-N 3.49Å; V184-M186 PolarHBondContact O-N 2.92Å; M186-V189 PolarHBondContact O-N 3.45Å; M186-C190 WeakPolarHBondContact O-CB 3.36Å; M186-C190 PolarHBondContact O-N 3.26Å; M186-C190 PolarHBondContact O-SG 3.28Å; M186-C190 VanDerWaalsContact O-SG 3.35Å |
| 187 | G | 96.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | S105 S183 V184 T191 | S105-G187 WeakPolarHBondContact CB-O 3.38Å; S105-G187 PolarHBondContact OG-O 3.27Å; S183-G187 PolarHBondContact O-N 2.93Å; V184-G187 PolarHBondContact O-N 3.26Å; V184-G187 VanDerWaalsContact O-N 3.12Å; G187-T191 VanDerWaalsContact O-CB 3.22Å; G187-T191 WeakPolarHBondContact O-CB 3.32Å; G187-T191 PolarHBondContact O-N 3.32Å; G187-T191 PolarHBondContact O-OG1 3.33Å |
| 188 | V | 96.4 | Very high | 95.5 | Very high | 74 Ų | 74 | 48.1 Ų | 48.1 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | V184 T191 A192 D254 | V184-V188 WeakPolarHBondContact O-CG2 2.9Å; V184-V188 PolarHBondContact O-N 3.25Å; V188-T191 PolarHBondContact O-N 3.01Å; V188-A192 WeakPolarHBondContact O-CB 3.24Å; V188-A192 PolarHBondContact O-N 3.36Å; V188-D254 VanDerWaalsContact CG2-OD2 3.29Å; V188-D254 WeakPolarHBondContact CG2-OD2 3.42Å |
| 189 | V | 97.6 | Very high | 95.3 | Very high | 77 Ų | 77 | 46 Ų | 46 | 47% | 0.467 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.9 | -49.6 | -179.5 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | T185 M186 T191 A192 I193 | T185-V189 WeakPolarHBondContact O-CB 3.4Å; T185-V189 VanDerWaalsContact O-CG2 3.29Å; T185-V189 WeakPolarHBondContact O-CG2 3.45Å; T185-V189 PolarHBondContact O-N 2.98Å; M186-V189 PolarHBondContact O-N 3.45Å; V189-T191 VanDerWaalsContact C-N 3.3Å; V189-T191 PolarHBondContact O-N 2.89Å; V189-A192 PolarHBondContact O-N 2.98Å; V189-I193 HydrophobicContact CG1-CD1 3.86Å; V189-I193 VanDerWaalsContact O-CG1 3.31Å; V189-I193 WeakPolarHBondContact O-CG1 3.25Å; V189-I193 PolarHBondContact O-N 2.86Å |
| 190 | C | 97.4 | Very high | 95 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.034 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 177.2 | -72.4 | 0 | 0 | 0 | 0 | 111.9 | M109 M186 I193 A194 | M109-C190 HydrophobicContact CB-CB 4.21Å; M109-C190 HydrophobicContact SD-CB 3.96Å; M186-C190 WeakPolarHBondContact O-CB 3.36Å; M186-C190 PolarHBondContact O-N 3.26Å; M186-C190 PolarHBondContact O-SG 3.28Å; M186-C190 VanDerWaalsContact O-SG 3.35Å; C190-I193 PolarHBondContact O-N 3.36Å; C190-A194 WeakPolarHBondContact O-CB 3.14Å; C190-A194 PolarHBondContact O-N 3.08Å |
| 191 | T | 96.5 | Very high | 94.5 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 177.8 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | S105 G187 V188 V189 I193 A194 L195 T247 | S105-T191 WeakPolarHBondContact CB-OG1 3.47Å; S105-T191 PolarHBondContact OG-OG1 2.97Å; S105-T191 VanDerWaalsContact OG-OG1 3.13Å; G187-T191 VanDerWaalsContact O-CB 3.22Å; G187-T191 WeakPolarHBondContact O-CB 3.32Å; G187-T191 PolarHBondContact O-N 3.32Å; G187-T191 PolarHBondContact O-OG1 3.33Å; V188-T191 PolarHBondContact O-N 3.01Å; V189-T191 VanDerWaalsContact C-N 3.3Å; V189-T191 PolarHBondContact O-N 2.89Å; T191-I193 PolarHBondContact O-N 3.39Å; T191-A194 PolarHBondContact O-N 3.49Å; T191-L195 WeakPolarHBondContact O-CB 3.34Å; T191-L195 PolarHBondContact O-N 2.85Å; T191-T247 HydrophobicContact CG2-CG2 3.8Å; T191-T247 WeakPolarHBondContact CG2-OG1 3.19Å |
| 192 | A | 96.6 | Very high | 93.9 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | V188 V189 L195 F196 | V188-A192 WeakPolarHBondContact O-CB 3.24Å; V188-A192 PolarHBondContact O-N 3.36Å; V189-A192 PolarHBondContact O-N 2.98Å; A192-L195 PolarHBondContact O-N 2.86Å; A192-F196 VanDerWaalsContact O-CB 3.28Å; A192-F196 WeakPolarHBondContact O-CB 3.34Å; A192-F196 PolarHBondContact O-N 2.94Å |
| 193 | I | 96.3 | Very high | 93.3 | Very high | 65 Ų | 65 | 53 Ų | 53 | 33% | 0.333 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 174.8 | -65.1 | 164.4 | 0 | 0 | 0 | 110.6 | M109 V189 C190 T191 L195 F196 Q197 | M109-I193 HydrophobicContact CG-CB 4.16Å; M109-I193 HydrophobicContact CG-CG2 3.84Å; M109-I193 HydrophobicContact SD-CB 4.23Å; M109-I193 HydrophobicContact SD-CD1 3.97Å; M109-I193 HydrophobicContact SD-CG2 4.17Å; V189-I193 HydrophobicContact CG1-CD1 3.86Å; V189-I193 VanDerWaalsContact O-CG1 3.31Å; V189-I193 WeakPolarHBondContact O-CG1 3.25Å; V189-I193 PolarHBondContact O-N 2.86Å; C190-I193 PolarHBondContact O-N 3.36Å; T191-I193 PolarHBondContact O-N 3.39Å; I193-L195 PolarHBondContact O-N 3.31Å; I193-F196 PolarHBondContact O-N 3.4Å; I193-Q197 HydrophobicContact CG2-CG 4.33Å; I193-Q197 WeakPolarHBondContact O-CB 3.38Å; I193-Q197 VanDerWaalsContact O-CG 3.27Å; I193-Q197 WeakPolarHBondContact O-CG 3.31Å; I193-Q197 PolarHBondContact O-N 3.01Å |
| 194 | A | 95.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R108 M109 C190 T191 T198 T243 | R108-A194 HydrophobicContact CG-CB 4.36Å; M109-A194 HydrophobicContact CB-CB 4.22Å; C190-A194 WeakPolarHBondContact O-CB 3.14Å; C190-A194 PolarHBondContact O-N 3.08Å; T191-A194 PolarHBondContact O-N 3.49Å; A194-T198 WeakPolarHBondContact O-CB 3.44Å; A194-T198 WeakPolarHBondContact O-CG2 3.17Å; A194-T198 PolarHBondContact O-N 2.96Å; A194-T198 PolarHBondContact O-OG1 2.89Å; A194-T243 HydrophobicContact CB-CG2 4.31Å |
| 195 | L | 95.3 | Very high | 91.3 | Very high | 55 Ų | 55 | 59.5 Ų | 59.5 | 29% | 0.288 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.8 | -48.4 | 177.5 | -175.1 | 67.2 | 0 | 0 | 0 | 111.1 | T191 A192 I193 Q197 T198 L199 T243 T247 | T191-L195 WeakPolarHBondContact O-CB 3.34Å; T191-L195 PolarHBondContact O-N 2.85Å; A192-L195 PolarHBondContact O-N 2.86Å; I193-L195 PolarHBondContact O-N 3.31Å; L195-Q197 PolarHBondContact O-N 3.42Å; L195-T198 PolarHBondContact O-N 3.45Å; L195-T198 PolarHBondContact O-OG1 2.97Å; L195-T198 VanDerWaalsContact O-OG1 3.06Å; L195-L199 HydrophobicContact CD1-CD1 4.21Å; L195-L199 HydrophobicContact CD1-CG 4.44Å; L195-L199 HydrophobicContact CG-CD1 4.02Å; L195-L199 WeakPolarHBondContact O-CB 3.24Å; L195-L199 VanDerWaalsContact O-CG 3.31Å; L195-L199 WeakPolarHBondContact O-CG 3.36Å; L195-L199 PolarHBondContact O-N 3.12Å; L195-T243 HydrophobicContact CD1-CG2 4.37Å; L195-T247 HydrophobicContact CD2-CG2 4.27Å |
| 196 | F | 94.7 | Very high | 90.1 | Very high | 141 Ų | 141 | 63.9 Ų | 63.9 | 62% | 0.618 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.6 | -49.9 | 177.8 | 178.7 | -98.6 | 0 | 0 | 0 | 111.7 | A192 I193 T198 L199 A200 | A192-F196 VanDerWaalsContact O-CB 3.28Å; A192-F196 WeakPolarHBondContact O-CB 3.34Å; A192-F196 PolarHBondContact O-N 2.94Å; I193-F196 PolarHBondContact O-N 3.4Å; F196-T198 PolarHBondContact O-N 2.77Å; F196-L199 PolarHBondContact O-N 3.42Å; F196-A200 WeakPolarHBondContact O-CB 3.35Å; F196-A200 PolarHBondContact O-N 3.36Å |
| 197 | Q | 92.7 | Very high | 88.9 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 35% | 0.346 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | -179.9 | -70.2 | -71 | 3.9 | 0 | 0 | 112.3 | V112 I193 L195 A200 V201 | V112-Q197 HydrophobicContact CG1-CB 3.55Å; I193-Q197 HydrophobicContact CG2-CG 4.33Å; I193-Q197 WeakPolarHBondContact O-CB 3.38Å; I193-Q197 VanDerWaalsContact O-CG 3.27Å; I193-Q197 WeakPolarHBondContact O-CG 3.31Å; I193-Q197 PolarHBondContact O-N 3.01Å; L195-Q197 PolarHBondContact O-N 3.42Å; Q197-A200 PolarHBondContact O-N 3.09Å; Q197-V201 WeakPolarHBondContact O-CB 3.39Å; Q197-V201 VanDerWaalsContact O-CG2 3.31Å; Q197-V201 WeakPolarHBondContact O-CG2 3.33Å; Q197-V201 PolarHBondContact O-N 3.44Å |
| 198 | T | 91.2 | Very high | 87.4 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 176.7 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | V112 A194 L195 F196 Q202 T243 | V112-T198 HydrophobicContact CB-CG2 4.3Å; V112-T198 HydrophobicContact CG1-CG2 3.64Å; V112-T198 HydrophobicContact CG2-CG2 3.57Å; A194-T198 WeakPolarHBondContact O-CB 3.44Å; A194-T198 WeakPolarHBondContact O-CG2 3.17Å; A194-T198 PolarHBondContact O-N 2.96Å; A194-T198 PolarHBondContact O-OG1 2.89Å; L195-T198 PolarHBondContact O-N 3.45Å; L195-T198 PolarHBondContact O-OG1 2.97Å; L195-T198 VanDerWaalsContact O-OG1 3.06Å; F196-T198 PolarHBondContact O-N 2.77Å; T198-Q202 WeakPolarHBondContact O-CB 3.34Å; T198-Q202 WeakPolarHBondContact O-CG 3.46Å; T198-Q202 PolarHBondContact O-N 3.41Å; T198-Q202 VanDerWaalsContact O-N 3.13Å; T198-T243 HydrophobicContact CG2-CG2 4.38Å; T198-T243 WeakPolarHBondContact CG2-OG1 3.28Å |
| 199 | L | 90.5 | Very high | 85.7 | Confident | 80 Ų | 80 | 73 Ų | 73 | 42% | 0.419 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 174.6 | -67.9 | 173.1 | 0 | 0 | 0 | 111.6 | L195 F196 V201 Q202 V203 L240 | L195-L199 HydrophobicContact CD1-CD1 4.21Å; L195-L199 HydrophobicContact CD1-CG 4.44Å; L195-L199 HydrophobicContact CG-CD1 4.02Å; L195-L199 WeakPolarHBondContact O-CB 3.24Å; L195-L199 VanDerWaalsContact O-CG 3.31Å; L195-L199 WeakPolarHBondContact O-CG 3.36Å; L195-L199 PolarHBondContact O-N 3.12Å; F196-L199 PolarHBondContact O-N 3.42Å; L199-V201 PolarHBondContact O-N 3.42Å; L199-Q202 PolarHBondContact O-N 3.38Å; L199-V203 WeakPolarHBondContact O-CG2 3.47Å; L199-V203 PolarHBondContact O-N 3.33Å; L199-L240 HydrophobicContact CD2-CD1 3.99Å |
| 200 | A | 89.2 | Confident | 83.8 | Confident | 44 Ų | 44 | 80.2 Ų | 80.2 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F196 Q197 Q202 V203 G204 | F196-A200 WeakPolarHBondContact O-CB 3.35Å; F196-A200 PolarHBondContact O-N 3.36Å; Q197-A200 PolarHBondContact O-N 3.09Å; A200-Q202 VanDerWaalsContact C-N 3.29Å; A200-Q202 PolarHBondContact O-N 2.91Å; A200-V203 PolarHBondContact O-N 2.84Å; A200-G204 PolarHBondContact O-N 3.35Å |
| 201 | V | 84.3 | Confident | 81.6 | Confident | 76 Ų | 76 | 83.8 Ų | 83.8 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 176.6 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | Q197 L199 R205 | Q197-V201 WeakPolarHBondContact O-CB 3.39Å; Q197-V201 VanDerWaalsContact O-CG2 3.31Å; Q197-V201 WeakPolarHBondContact O-CG2 3.33Å; Q197-V201 PolarHBondContact O-N 3.44Å; L199-V201 PolarHBondContact O-N 3.42Å; V201-R205 WeakPolarHBondContact O-CB 3.35Å; V201-R205 WeakPolarHBondContact O-CG 3.39Å; V201-R205 PolarHBondContact O-N 2.76Å |
| 202 | Q | 82.4 | Confident | 79.2 | Confident | 29 Ų | 29 | 90.5 Ų | 90.5 | 14% | 0.136 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 174.8 | -81.1 | -162.8 | -11.3 | 0 | 0 | 113.3 | T198 L199 A200 R206 A236 L240 | T198-Q202 WeakPolarHBondContact O-CB 3.34Å; T198-Q202 WeakPolarHBondContact O-CG 3.46Å; T198-Q202 PolarHBondContact O-N 3.41Å; T198-Q202 VanDerWaalsContact O-N 3.13Å; L199-Q202 PolarHBondContact O-N 3.38Å; A200-Q202 VanDerWaalsContact C-N 3.29Å; A200-Q202 PolarHBondContact O-N 2.91Å; Q202-R206 WeakPolarHBondContact O-CB 3.19Å; Q202-R206 WeakPolarHBondContact O-CG 3.1Å; Q202-R206 PolarHBondContact O-N 3.18Å; Q202-A236 PolarHBondContact NE2-O 3.2Å; Q202-L240 VanDerWaalsContact NE2-CB 3.28Å |
| 203 | V | 82.5 | Confident | 76.7 | Confident | 99 Ų | 99 | 93.7 Ų | 93.7 | 60% | 0.6 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.8 | -46.6 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 110 | L199 A200 R205 R206 A207 | L199-V203 WeakPolarHBondContact O-CG2 3.47Å; L199-V203 PolarHBondContact O-N 3.33Å; A200-V203 PolarHBondContact O-N 2.84Å; V203-R205 PolarHBondContact O-N 2.98Å; V203-R206 PolarHBondContact O-N 2.88Å; V203-R206 VanDerWaalsContact O-N 3.12Å; V203-A207 PolarHBondContact O-N 2.99Å |
| 204 | G | 78.9 | Confident | 74.5 | Confident | 41 Ų | 41 | 95.4 Ų | 95.4 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -54.7 | -52.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A200 R206 A207 D208 | A200-G204 PolarHBondContact O-N 3.35Å; G204-R206 VanDerWaalsContact C-N 3.29Å; G204-R206 PolarHBondContact O-N 3.2Å; G204-A207 PolarHBondContact O-N 3.05Å; G204-A207 VanDerWaalsContact O-N 3.14Å; G204-D208 WeakPolarHBondContact O-CB 3.45Å; G204-D208 PolarHBondContact O-N 3.19Å |
| 205 | R | 70.6 | Confident | 72.2 | Confident | 124 Ų | 124 | 98 Ų | 98 | 47% | 0.468 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -30 | 176.5 | -79.9 | 179.6 | 163.9 | -178.3 | -6.7 | 114.1 | V201 V203 R209 | V201-R205 WeakPolarHBondContact O-CB 3.35Å; V201-R205 WeakPolarHBondContact O-CG 3.39Å; V201-R205 PolarHBondContact O-N 2.76Å; V203-R205 PolarHBondContact O-N 2.98Å; R205-R209 WeakPolarHBondContact O-CB 3.23Å; R205-R209 PolarHBondContact O-N 3.03Å |
| 206 | R | 70.8 | Confident | 70 | Confident | 175 Ų | 175 | 98.3 Ų | 98.3 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -74.3 | -31.9 | 175.2 | -77.8 | 179.2 | -175.1 | -179.1 | 4.9 | 112.7 | Q202 V203 G204 R210 | Q202-R206 WeakPolarHBondContact O-CB 3.19Å; Q202-R206 WeakPolarHBondContact O-CG 3.1Å; Q202-R206 PolarHBondContact O-N 3.18Å; V203-R206 PolarHBondContact O-N 2.88Å; V203-R206 VanDerWaalsContact O-N 3.12Å; G204-R206 VanDerWaalsContact C-N 3.29Å; G204-R206 PolarHBondContact O-N 3.2Å; R206-R210 WeakPolarHBondContact O-CG 3.39Å |
| 207 | A | 72.4 | Confident | 68.1 | Low | 61 Ų | 61 | 95.2 Ų | 95.2 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.3 | -47.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V203 G204 R209 R210 A211 | V203-A207 PolarHBondContact O-N 2.99Å; G204-A207 PolarHBondContact O-N 3.05Å; G204-A207 VanDerWaalsContact O-N 3.14Å; A207-R209 PolarHBondContact O-N 3.23Å; A207-R210 WeakPolarHBondContact O-CA 3.32Å; A207-R210 WeakPolarHBondContact O-CB 3.18Å; A207-R210 PolarHBondContact O-N 3.36Å; A207-A211 PolarHBondContact O-N 3.35Å |
| 208 | D | 63.9 | Low | 66.2 | Low | 96 Ų | 96 | 93.6 Ų | 93.6 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -37.6 | -177 | -163.8 | 27.4 | 0 | 0 | 0 | 112.7 | G204 R210 A211 F212 | G204-D208 WeakPolarHBondContact O-CB 3.45Å; G204-D208 PolarHBondContact O-N 3.19Å; D208-R210 PolarHBondContact O-N 2.99Å; D208-A211 PolarHBondContact O-N 2.96Å; D208-F212 PolarHBondContact O-N 3.26Å |
| 209 | R | 59.8 | Low | 64.3 | Low | 215 Ų | 215 | 97.3 Ų | 97.3 | 81% | 0.811 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -7.8 | 171.3 | -167.6 | 173.2 | -177.4 | -171.2 | 1 | 114 | R205 A207 | R205-R209 WeakPolarHBondContact O-CB 3.23Å; R205-R209 PolarHBondContact O-N 3.03Å; A207-R209 PolarHBondContact O-N 3.23Å |
| 210 | R | 58.6 | Low | 62.3 | Low | 230 Ų | 230 | 98.2 Ų | 98.2 | 87% | 0.868 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -6.5 | 169.5 | -63.5 | 174.2 | 174.5 | -173.9 | -3 | 113 | R206 A207 D208 | R206-R210 WeakPolarHBondContact O-CG 3.39Å; A207-R210 WeakPolarHBondContact O-CA 3.32Å; A207-R210 WeakPolarHBondContact O-CB 3.18Å; A207-R210 PolarHBondContact O-N 3.36Å; D208-R210 PolarHBondContact O-N 2.99Å |
| 211 | A | 50.6 | Low | 60.5 | Low | 79 Ų | 79 | 98.8 Ų | 98.8 | 65% | 0.653 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -41 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A207 D208 | A207-A211 PolarHBondContact O-N 3.35Å; D208-A211 PolarHBondContact O-N 2.96Å |
| 212 | F | 46.5 | Very low | 58.9 | Low | 150 Ų | 150 | 100.3 Ų | 100.3 | 66% | 0.658 | 53% | 0.534 | S | S | * | . | trans | -155.2 | 120.9 | -178.3 | -159.8 | -122.9 | 0 | 0 | 0 | 113.6 | D208 V214 | D208-F212 PolarHBondContact O-N 3.26Å; F212-V214 HydrophobicContact CD1-CG2 3.52Å; F212-V214 HydrophobicContact CE1-CG2 3.59Å; F212-V214 PolarHBondContact O-N 3.03Å | ||
| 213 | T | 44.1 | Very low | 57.2 | Low | 122 Ų | 122 | 106.7 Ų | 106.7 | 75% | 0.748 | 56% | 0.564 | S | S | * | * | trans | -96.8 | 84.1 | 178.5 | -44.7 | 0 | 0 | 0 | 0 | 110.5 | P215 | T213-P215 WeakPolarHBondContact O-CD 3.12Š| ||
| 214 | V | 49.9 | Very low | 55.7 | Low | 102 Ų | 102 | 104.9 Ų | 104.9 | 62% | 0.618 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 119.8 | 167.6 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | F212 T216 | F212-V214 HydrophobicContact CD1-CG2 3.52Å; F212-V214 HydrophobicContact CE1-CG2 3.59Å; F212-V214 PolarHBondContact O-N 3.03Å; V214-T216 PolarHBondContact O-N 3.47Å |
| 215 | P | 48.2 | Very low | 53.9 | Low | 56 Ų | 56 | 108.8 Ų | 108.8 | 36% | 0.364 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 133.2 | 178.6 | 25.7 | -32.7 | 0 | 0 | 0 | 110 | T213 I217 Q385 | T213-P215 WeakPolarHBondContact O-CD 3.12Å; P215-I217 PolarHBondContact O-N 3.22Å; P215-I217 VanDerWaalsContact O-N 3.12Å; P215-Q385 WeakPolarHBondContact CB-O 3.32Å |
| 216 | T | 49.2 | Very low | 52.8 | Low | 61 Ų | 61 | 110.1 Ų | 110.1 | 37% | 0.374 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 116.7 | 175.8 | 49.1 | 0 | 0 | 0 | 0 | 109.4 | V214 V218 I230 | V214-T216 PolarHBondContact O-N 3.47Å; T216-V218 PolarHBondContact O-N 2.83Å; T216-I230 HydrophobicContact CG2-CD1 4.2Å |
| 217 | I | 54.3 | Low | 51.4 | Low | 75 Ų | 75 | 108.2 Ų | 108.2 | 39% | 0.385 | 57% | 0.568 | S | S | . | * | trans | -65.9 | 105.4 | 176.4 | -58 | 172.1 | 0 | 0 | 0 | 107.8 | P215 V219 S228 S229 | P215-I217 PolarHBondContact O-N 3.22Å; P215-I217 VanDerWaalsContact O-N 3.12Å; I217-V219 HydrophobicContact CG2-CG2 4.24Å; I217-S228 CarbonylContact O-C 3.58Å; I217-S228 VanDerWaalsContact O-CA 3.31Å; I217-S228 WeakPolarHBondContact O-CA 3.43Å; I217-S229 PolarHBondContact O-N 3.32Å | ||
| 218 | V | 51.7 | Low | 50.2 | Low | 41 Ų | 41 | 106.5 Ų | 106.5 | 25% | 0.248 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 113.4 | 172.1 | -176.3 | 0 | 0 | 0 | 0 | 107.4 | T216 R226 Y386 | T216-V218 PolarHBondContact O-N 2.83Å; V218-R226 HydrophobicContact CG1-CB 3.89Å; V218-R226 HydrophobicContact CG1-CG 3.86Å; V218-Y386 HydrophobicContact CG2-CD1 4.44Å; V218-Y386 HydrophobicContact CG2-CE1 4.5Å |
| 219 | V | 51.1 | Low | 49.3 | Very low | 88 Ų | 88 | 106.2 Ų | 106.2 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.3 | 116.7 | 168.4 | -176.1 | 0 | 0 | 0 | 0 | 106.6 | I217 R227 | I217-V219 HydrophobicContact CG2-CG2 4.24Å; V219-R227 PolarHBondContact N-O 3.49Å; V219-R227 PolarHBondContact O-N 3.29Å |
| 220 | E | 49.4 | Very low | 49 | Very low | 99 Ų | 99 | 100.2 Ų | 100.2 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 121.1 | 168.8 | -77.9 | 176.1 | 160.2 | 0 | 0 | 108.6 | R226 | E220-R226 HydrophobicContact CG-CG 3.61Å; E220-R226 WeakPolarHBondContact OE1-CG 3.46Å; E220-R226 IonicContact OE1-CZ 3.18Å; E220-R226 IonicContact OE1-NE 2.68Å; E220-R226 PolarHBondContact OE1-NE 3.02Å; E220-R226 IonicContact OE1-NH2 2.8Å; E220-R226 PolarHBondContact OE1-NH2 3.4Å |
| 221 | D | 50.7 | Low | 48.1 | Very low | 55 Ų | 55 | 94.6 Ų | 94.6 | 29% | 0.294 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 152.7 | 169.3 | -160.6 | -25.6 | 0 | 0 | 0 | 109.3 | Q223 G224 K225 R227 | D221-Q223 PolarHBondContact O-N 3.5Å; D221-G224 PolarHBondContact O-N 2.67Å; D221-K225 HydrophobicContact CB-CB 4.07Å; D221-K225 VanDerWaalsContact CB-O 3.23Å; D221-K225 WeakPolarHBondContact CB-O 3.33Å; D221-K225 PolarHBondContact N-O 3.35Å; D221-K225 VanDerWaalsContact N-O 3.15Å; D221-R227 IonicContact OD2-CZ 3.81Å; D221-R227 IonicContact OD2-NE 3.75Å; D221-R227 IonicContact OD2-NH2 3.09Å; D221-R227 PolarHBondContact OD2-NH2 2.88Å; D221-R227 VanDerWaalsContact OD2-NH2 3.09Å |
| 222 | A | 51 | Low | 48.1 | Very low | 108 Ų | 108 | 93.5 Ų | 93.5 | 89% | 0.893 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -19.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G224 | A222-G224 VanDerWaalsContact C-N 3.26Å; A222-G224 PolarHBondContact O-N 2.95Å |
| 223 | Q | 47.8 | Very low | 48.6 | Very low | 164 Ų | 164 | 89 Ų | 89 | 77% | 0.766 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 13.1 | 172.7 | -60.1 | -177.3 | -21.4 | 0 | 0 | 114 | D221 K225 | D221-Q223 PolarHBondContact O-N 3.5Å; Q223-K225 PolarHBondContact O-N 3Å |
| 224 | G | 50.1 | Low | 49.6 | Very low | 60 Ų | 60 | 85.7 Ų | 85.7 | 62% | 0.619 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 71.5 | 6.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D221 A222 R226 | D221-G224 PolarHBondContact O-N 2.67Å; A222-G224 VanDerWaalsContact C-N 3.26Å; A222-G224 PolarHBondContact O-N 2.95Å; G224-R226 PolarHBondContact O-N 2.65Å |
| 225 | K | 41.6 | Very low | 50.9 | Low | 124 Ų | 124 | 84.7 Ų | 84.7 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | trans | -85.9 | 98.3 | -177.2 | -169 | 170 | -174.3 | 169.7 | 0 | 110.6 | D221 Q223 R227 | D221-K225 HydrophobicContact CB-CB 4.07Å; D221-K225 VanDerWaalsContact CB-O 3.23Å; D221-K225 WeakPolarHBondContact CB-O 3.33Å; D221-K225 PolarHBondContact N-O 3.35Å; D221-K225 VanDerWaalsContact N-O 3.15Å; Q223-K225 PolarHBondContact O-N 3Å; K225-R227 PolarHBondContact O-N 3.4Å | ||
| 226 | R | 46.5 | Very low | 52.3 | Low | 151 Ų | 151 | 83.9 Ų | 83.9 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 121.1 | 169.8 | -72.8 | 176.3 | 177.9 | -162.7 | -9.4 | 110.6 | V218 E220 G224 | V218-R226 HydrophobicContact CG1-CB 3.89Å; V218-R226 HydrophobicContact CG1-CG 3.86Å; E220-R226 HydrophobicContact CG-CG 3.61Å; E220-R226 WeakPolarHBondContact OE1-CG 3.46Å; E220-R226 IonicContact OE1-CZ 3.18Å; E220-R226 IonicContact OE1-NE 2.68Å; E220-R226 PolarHBondContact OE1-NE 3.02Å; E220-R226 IonicContact OE1-NH2 2.8Å; E220-R226 PolarHBondContact OE1-NH2 3.4Å; G224-R226 PolarHBondContact O-N 2.65Å |
| 227 | R | 43.1 | Very low | 53.8 | Low | 136 Ų | 136 | 89.2 Ų | 89.2 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 114.9 | 163.6 | -57.7 | -168.9 | -153.2 | -171.1 | 12.4 | 108.3 | V219 D221 K225 | V219-R227 PolarHBondContact N-O 3.49Å; V219-R227 PolarHBondContact O-N 3.29Å; D221-R227 IonicContact OD2-CZ 3.81Å; D221-R227 IonicContact OD2-NE 3.75Å; D221-R227 IonicContact OD2-NH2 3.09Å; D221-R227 PolarHBondContact OD2-NH2 2.88Å; D221-R227 VanDerWaalsContact OD2-NH2 3.09Å; K225-R227 PolarHBondContact O-N 3.4Å |
| 228 | S | 47.1 | Very low | 55.3 | Low | 24 Ų | 24 | 87.6 Ų | 87.6 | 17% | 0.168 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 152.4 | 170.8 | 78.8 | 0 | 0 | 0 | 0 | 110.9 | I217 I230 D231 | I217-S228 CarbonylContact O-C 3.58Å; I217-S228 VanDerWaalsContact O-CA 3.31Å; I217-S228 WeakPolarHBondContact O-CA 3.43Å; S228-I230 PolarHBondContact O-N 3.29Å; S228-I230 PolarHBondContact OG-N 3.39Å; S228-D231 VanDerWaalsContact O-CB 3.23Å; S228-D231 WeakPolarHBondContact O-CB 3.42Å; S228-D231 PolarHBondContact O-N 3.43Å; S228-D231 WeakPolarHBondContact OG-CB 3.49Å; S228-D231 PolarHBondContact OG-N 2.68Å; S228-D231 VanDerWaalsContact OG-N 3.11Å |
| 229 | S | 44.8 | Very low | 57 | Low | 91 Ų | 91 | 86.9 Ų | 86.9 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.7 | 172.9 | 61.5 | 0 | 0 | 0 | 0 | 113.1 | I217 | I217-S229 PolarHBondContact O-N 3.32Š|
| 230 | I | 52.1 | Low | 58.7 | Low | 88 Ų | 88 | 85.4 Ų | 85.4 | 45% | 0.451 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -13 | 178.5 | -93.8 | 168.3 | 0 | 0 | 0 | 113.6 | T216 S228 G232 S233 | T216-I230 HydrophobicContact CG2-CD1 4.2Å; S228-I230 PolarHBondContact O-N 3.29Å; S228-I230 PolarHBondContact OG-N 3.39Å; I230-G232 PolarHBondContact O-N 3.46Å; I230-S233 PolarHBondContact O-N 3Å; I230-S233 PolarHBondContact O-OG 3.11Å |
| 231 | D | 41.2 | Very low | 60.7 | Low | 113 Ų | 113 | 83.6 Ų | 83.6 | 60% | 0.604 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -7.6 | -170.2 | -136.4 | 2.3 | 0 | 0 | 0 | 114.3 | S228 | S228-D231 VanDerWaalsContact O-CB 3.23Å; S228-D231 WeakPolarHBondContact O-CB 3.42Å; S228-D231 PolarHBondContact O-N 3.43Å; S228-D231 WeakPolarHBondContact OG-CB 3.49Å; S228-D231 PolarHBondContact OG-N 2.68Å; S228-D231 VanDerWaalsContact OG-N 3.11Å |
| 232 | G | 50.4 | Low | 62.7 | Low | 55 Ų | 55 | 81.1 Ų | 81.1 | 57% | 0.567 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -4.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I230 | I230-G232 PolarHBondContact O-N 3.46Š|
| 233 | S | 56.2 | Low | 64.7 | Low | 56 Ų | 56 | 76 Ų | 76 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -91.6 | 133.3 | 179.2 | 66.3 | 0 | 0 | 0 | 0 | 111.3 | I230 P235 | I230-S233 PolarHBondContact O-N 3Å; I230-S233 PolarHBondContact O-OG 3.11Å; S233-P235 WeakPolarHBondContact O-CD 3.49Å |
| 234 | E | 65.8 | Low | 66.8 | Low | 53 Ų | 53 | 69.5 Ų | 69.5 | 25% | 0.248 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 126.1 | 175 | -74 | -156.2 | 132.8 | 0 | 0 | 109.2 | R108 A236 R302 | R108-E234 IonicContact NH1-OE2 3.5Å; R108-E234 PolarHBondContact NH1-OE2 3.39Å; R108-E234 VanDerWaalsContact NH1-OE2 3.13Å; E234-A236 PolarHBondContact O-N 3.4Å; E234-R302 IonicContact OE1-CZ 3.77Å; E234-R302 IonicContact OE1-NH1 2.83Å; E234-R302 PolarHBondContact OE1-NH1 2.93Å; E234-R302 IonicContact OE1-NH2 2.87Å |
| 235 | P | 76.6 | Confident | 68.9 | Low | 81 Ų | 81 | 67.2 Ų | 67.2 | 53% | 0.526 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 142.3 | -176.3 | 13.9 | -23.1 | 0 | 0 | 0 | 111 | S233 K237 T238 S239 | S233-P235 WeakPolarHBondContact O-CD 3.49Å; P235-K237 PolarHBondContact O-N 3.41Å; P235-T238 WeakPolarHBondContact CD-OG1 3.39Å; P235-T238 HydrophobicContact CG-CG2 4Å; P235-T238 WeakPolarHBondContact CG-OG1 3.44Å; P235-T238 PolarHBondContact O-N 2.86Å; P235-T238 PolarHBondContact O-OG1 3.39Å; P235-S239 PolarHBondContact O-N 3.42Å |
| 236 | A | 76.8 | Confident | 71.5 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 31% | 0.314 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.7 | -29.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q202 E234 L240 | Q202-A236 PolarHBondContact NE2-O 3.2Å; E234-A236 PolarHBondContact O-N 3.4Å; A236-L240 PolarHBondContact O-N 3.49Å; A236-L240 VanDerWaalsContact O-N 3.15Å |
| 237 | K | 82.2 | Confident | 73.9 | Confident | 173 Ų | 173 | 55.6 Ų | 55.6 | 75% | 0.752 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.9 | -49.3 | 173.7 | -173.5 | 179.9 | 178 | -175.7 | 0 | 112.2 | P235 L240 Q241 | P235-K237 PolarHBondContact O-N 3.41Å; K237-L240 PolarHBondContact O-N 3.37Å; K237-Q241 WeakPolarHBondContact O-CB 3.49Å; K237-Q241 PolarHBondContact O-N 3.42Å |
| 238 | T | 85.1 | Confident | 76.3 | Confident | 41 Ų | 41 | 52 Ų | 52 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.8 | -36.7 | 179.2 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | P235 L240 Q241 I242 | P235-T238 WeakPolarHBondContact CD-OG1 3.39Å; P235-T238 HydrophobicContact CG-CG2 4Å; P235-T238 WeakPolarHBondContact CG-OG1 3.44Å; P235-T238 PolarHBondContact O-N 2.86Å; P235-T238 PolarHBondContact O-OG1 3.39Å; T238-L240 PolarHBondContact O-N 2.91Å; T238-Q241 PolarHBondContact O-N 3.33Å; T238-I242 WeakPolarHBondContact O-CB 3.42Å; T238-I242 VanDerWaalsContact O-CD1 3.25Å; T238-I242 WeakPolarHBondContact O-CD1 3.17Å; T238-I242 WeakPolarHBondContact O-CG1 3.24Å; T238-I242 PolarHBondContact O-N 3.32Å |
| 239 | S | 86.5 | Confident | 78.6 | Confident | 26 Ų | 26 | 51 Ų | 51 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 175.2 | -170.2 | 0 | 0 | 0 | 0 | 111 | R108 P235 I242 T243 | R108-S239 PolarHBondContact NH2-O 2.92Å; R108-S239 PolarHBondContact NH2-OG 2.93Å; P235-S239 PolarHBondContact O-N 3.42Å; S239-I242 PolarHBondContact O-N 3.34Å; S239-T243 PolarHBondContact O-N 2.82Å; S239-T243 PolarHBondContact O-OG1 3.02Å |
| 240 | L | 88.5 | Confident | 81 | Confident | 57 Ų | 57 | 46.7 Ų | 46.7 | 30% | 0.298 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 174.2 | -177.9 | 75 | 0 | 0 | 0 | 112.8 | L199 Q202 A236 K237 T238 I242 T243 G244 | L199-L240 HydrophobicContact CD2-CD1 3.99Å; Q202-L240 VanDerWaalsContact NE2-CB 3.28Å; A236-L240 PolarHBondContact O-N 3.49Å; A236-L240 VanDerWaalsContact O-N 3.15Å; K237-L240 PolarHBondContact O-N 3.37Å; T238-L240 PolarHBondContact O-N 2.91Å; L240-I242 VanDerWaalsContact C-N 3.26Å; L240-I242 PolarHBondContact O-N 2.92Å; L240-T243 PolarHBondContact O-N 3.01Å; L240-G244 PolarHBondContact O-N 2.94Å |
| 241 | Q | 91.5 | Very high | 83.1 | Confident | 61 Ų | 61 | 49.2 Ų | 49.2 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.8 | -41.9 | 178.8 | -173 | 174.2 | 16.1 | 0 | 0 | 111.5 | K237 T238 L245 D301 | K237-Q241 WeakPolarHBondContact O-CB 3.49Å; K237-Q241 PolarHBondContact O-N 3.42Å; T238-Q241 PolarHBondContact O-N 3.33Å; Q241-L245 WeakPolarHBondContact O-CB 3.48Å; Q241-L245 PolarHBondContact O-N 3.34Å; Q241-D301 PolarHBondContact NE2-OD2 3.08Å |
| 242 | I | 91.1 | Very high | 85.7 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.5 | -40 | 179.5 | -64.1 | 158.9 | 0 | 0 | 0 | 111.7 | L42 T238 S239 L240 L245 V246 | L42-I242 HydrophobicContact CD2-CG2 3.42Å; L42-I242 VanDerWaalsContact CD2-CG2 3.42Å; T238-I242 WeakPolarHBondContact O-CB 3.42Å; T238-I242 VanDerWaalsContact O-CD1 3.25Å; T238-I242 WeakPolarHBondContact O-CD1 3.17Å; T238-I242 WeakPolarHBondContact O-CG1 3.24Å; T238-I242 PolarHBondContact O-N 3.32Å; S239-I242 PolarHBondContact O-N 3.34Å; L240-I242 VanDerWaalsContact C-N 3.26Å; L240-I242 PolarHBondContact O-N 2.92Å; I242-L245 PolarHBondContact O-N 3.48Å; I242-V246 WeakPolarHBondContact O-CG2 3.3Å; I242-V246 PolarHBondContact O-N 2.91Å |
| 243 | T | 93.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 174 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | R108 A194 L195 T198 S239 L240 L245 V246 T247 | R108-T243 HydrophobicContact CG-CG2 4.45Å; R108-T243 PolarHBondContact NE-OG1 3Å; R108-T243 PolarHBondContact NH2-OG1 3.11Å; A194-T243 HydrophobicContact CB-CG2 4.31Å; L195-T243 HydrophobicContact CD1-CG2 4.37Å; T198-T243 HydrophobicContact CG2-CG2 4.38Å; T198-T243 WeakPolarHBondContact CG2-OG1 3.28Å; S239-T243 PolarHBondContact O-N 2.82Å; S239-T243 PolarHBondContact O-OG1 3.02Å; L240-T243 PolarHBondContact O-N 3.01Å; T243-L245 VanDerWaalsContact C-N 3.35Å; T243-L245 PolarHBondContact O-N 3.26Å; T243-V246 PolarHBondContact O-N 3.24Å; T243-T247 WeakPolarHBondContact O-CB 3.19Å; T243-T247 PolarHBondContact O-N 2.92Å; T243-T247 PolarHBondContact O-OG1 3.42Å |
| 244 | G | 93.4 | Very high | 89.6 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L240 T247 T248 | L240-G244 PolarHBondContact O-N 2.94Å; G244-T247 PolarHBondContact O-N 3.46Å; G244-T248 VanDerWaalsContact O-CB 3.31Å; G244-T248 WeakPolarHBondContact O-CB 3.33Å; G244-T248 PolarHBondContact O-N 3.03Å; G244-T248 PolarHBondContact O-OG1 2.83Å |
| 245 | L | 94.1 | Very high | 90.8 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57 | -54.3 | 172 | 173.7 | 64.5 | 0 | 0 | 0 | 111.8 | Q241 I242 T243 T247 T248 I249 F296 C300 Y303 | Q241-L245 WeakPolarHBondContact O-CB 3.48Å; Q241-L245 PolarHBondContact O-N 3.34Å; I242-L245 PolarHBondContact O-N 3.48Å; T243-L245 VanDerWaalsContact C-N 3.35Å; T243-L245 PolarHBondContact O-N 3.26Å; L245-T247 VanDerWaalsContact C-N 3.33Å; L245-T247 PolarHBondContact O-N 3.47Å; L245-T248 WeakPolarHBondContact O-CB 3.3Å; L245-T248 PolarHBondContact O-N 2.92Å; L245-T248 VanDerWaalsContact O-N 3.11Å; L245-I249 HydrophobicContact CD1-CD1 3.81Å; L245-I249 HydrophobicContact CD1-CG1 4.14Å; L245-I249 HydrophobicContact CG-CD1 3.85Å; L245-I249 WeakPolarHBondContact O-CG1 3.49Å; L245-I249 PolarHBondContact O-N 3.49Å; L245-F296 HydrophobicContact CD1-CB 3.75Å; L245-F296 WeakPolarHBondContact CD1-O 3.32Å; L245-C300 HydrophobicContact CD2-CB 4.38Å; L245-Y303 HydrophobicContact CD2-CD2 4.02Å; L245-Y303 HydrophobicContact CD2-CE2 3.66Å |
| 246 | V | 95.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | -179.8 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | L42 R108 I242 T243 T248 I249 V250 | L42-V246 HydrophobicContact CD1-CG2 4.3Å; R108-V246 HydrophobicContact CB-CG1 4.18Å; R108-V246 HydrophobicContact CG-CG2 4.5Å; I242-V246 WeakPolarHBondContact O-CG2 3.3Å; I242-V246 PolarHBondContact O-N 2.91Å; T243-V246 PolarHBondContact O-N 3.24Å; V246-T248 VanDerWaalsContact C-N 3.29Å; V246-T248 PolarHBondContact O-N 3.5Å; V246-I249 PolarHBondContact O-N 2.88Å; V246-V250 HydrophobicContact CG1-CG2 4.19Å; V246-V250 WeakPolarHBondContact O-CB 3.37Å; V246-V250 WeakPolarHBondContact O-CG2 3.4Å; V246-V250 PolarHBondContact O-N 3.03Å |
| 247 | T | 96.1 | Very high | 91.8 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 18% | 0.178 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.7 | -41.5 | 174.2 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | T191 L195 T243 G244 L245 F251 | T191-T247 HydrophobicContact CG2-CG2 3.8Å; T191-T247 WeakPolarHBondContact CG2-OG1 3.19Å; L195-T247 HydrophobicContact CD2-CG2 4.27Å; T243-T247 WeakPolarHBondContact O-CB 3.19Å; T243-T247 PolarHBondContact O-N 2.92Å; T243-T247 PolarHBondContact O-OG1 3.42Å; G244-T247 PolarHBondContact O-N 3.46Å; L245-T247 VanDerWaalsContact C-N 3.33Å; L245-T247 PolarHBondContact O-N 3.47Å; T247-F251 VanDerWaalsContact O-CB 3.23Å; T247-F251 WeakPolarHBondContact O-CB 3.21Å; T247-F251 PolarHBondContact O-N 2.83Å |
| 248 | T | 95.3 | Very high | 92 | Very high | 60 Ų | 60 | 31.3 Ų | 31.3 | 37% | 0.368 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -68.3 | -44.2 | -179.7 | -58.4 | 0 | 0 | 0 | 0 | 111 | G244 L245 V246 I252 F296 | G244-T248 VanDerWaalsContact O-CB 3.31Å; G244-T248 WeakPolarHBondContact O-CB 3.33Å; G244-T248 PolarHBondContact O-N 3.03Å; G244-T248 PolarHBondContact O-OG1 2.83Å; L245-T248 WeakPolarHBondContact O-CB 3.3Å; L245-T248 PolarHBondContact O-N 2.92Å; L245-T248 VanDerWaalsContact O-N 3.11Å; V246-T248 VanDerWaalsContact C-N 3.29Å; V246-T248 PolarHBondContact O-N 3.5Å; T248-I252 HydrophobicContact CG2-CD1 3.66Å; T248-I252 VanDerWaalsContact O-CB 3.31Å; T248-I252 WeakPolarHBondContact O-CB 3.47Å; T248-I252 VanDerWaalsContact O-CG1 3.3Å; T248-I252 WeakPolarHBondContact O-CG1 3.21Å; T248-I252 PolarHBondContact O-N 2.76Å; T248-F296 HydrophobicContact CG2-CD1 4.29Å; T248-F296 HydrophobicContact CG2-CE1 4Å; T248-F296 HydrophobicContact CG2-CZ 4.49Å |
| 249 | I | 95.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.5 | -54.2 | 174.8 | -67.8 | 166.9 | 0 | 0 | 0 | 109.9 | L46 L245 V246 I252 Y253 L293 F296 | L46-I249 HydrophobicContact CD2-CD1 3.95Å; L245-I249 HydrophobicContact CD1-CD1 3.81Å; L245-I249 HydrophobicContact CD1-CG1 4.14Å; L245-I249 HydrophobicContact CG-CD1 3.85Å; L245-I249 WeakPolarHBondContact O-CG1 3.49Å; L245-I249 PolarHBondContact O-N 3.49Å; V246-I249 PolarHBondContact O-N 2.88Å; I249-I252 PolarHBondContact O-N 3.08Å; I249-Y253 HydrophobicContact CG2-CD1 4.12Å; I249-Y253 HydrophobicContact CG2-CE1 4.19Å; I249-Y253 HydrophobicContact CG2-CG 4.45Å; I249-Y253 VanDerWaalsContact O-CB 3.27Å; I249-Y253 WeakPolarHBondContact O-CB 3.22Å; I249-Y253 WeakPolarHBondContact O-CD1 3.27Å; I249-Y253 PolarHBondContact O-N 2.89Å; I249-L293 HydrophobicContact CD1-CD1 4.27Å; I249-F296 HydrophobicContact CG1-CB 4.23Å; I249-F296 HydrophobicContact CG1-CD2 3.69Å; I249-F296 HydrophobicContact CG1-CE2 4.35Å; I249-F296 HydrophobicContact CG1-CG 4.19Å |
| 250 | V | 95.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.1 | -54.4 | -176.9 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | V101 S105 V246 I252 Y253 D254 | V101-V250 HydrophobicContact CG1-CB 4.11Å; V101-V250 HydrophobicContact CG1-CG1 4.18Å; V101-V250 HydrophobicContact CG1-CG2 3.71Å; S105-V250 WeakPolarHBondContact OG-CG2 3.49Å; V246-V250 HydrophobicContact CG1-CG2 4.19Å; V246-V250 WeakPolarHBondContact O-CB 3.37Å; V246-V250 WeakPolarHBondContact O-CG2 3.4Å; V246-V250 PolarHBondContact O-N 3.03Å; V250-I252 PolarHBondContact O-N 3.14Å; V250-Y253 PolarHBondContact O-N 3.31Å; V250-D254 WeakPolarHBondContact CG1-OD2 3.37Å; V250-D254 WeakPolarHBondContact O-CB 3.47Å; V250-D254 PolarHBondContact O-N 2.67Å |
| 251 | F | 95 | Very high | 92.5 | Very high | 140 Ų | 140 | 33.3 Ų | 33.3 | 61% | 0.614 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -57.5 | -46.5 | -179.7 | 178.9 | -102.3 | 0 | 0 | 0 | 112.5 | T247 C255 | T247-F251 VanDerWaalsContact O-CB 3.23Å; T247-F251 WeakPolarHBondContact O-CB 3.21Å; T247-F251 PolarHBondContact O-N 2.83Å; F251-C255 WeakPolarHBondContact O-CB 3.32Å; F251-C255 PolarHBondContact O-N 3.4Å; F251-C255 PolarHBondContact O-SG 2.95Å |
| 252 | I | 95 | Very high | 92.5 | Very high | 45 Ų | 45 | 32.2 Ų | 32.2 | 23% | 0.231 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71 | -34.2 | -178.2 | -67 | 173.8 | 0 | 0 | 0 | 111.4 | T248 I249 V250 C255 L256 L292 F296 | T248-I252 HydrophobicContact CG2-CD1 3.66Å; T248-I252 VanDerWaalsContact O-CB 3.31Å; T248-I252 WeakPolarHBondContact O-CB 3.47Å; T248-I252 VanDerWaalsContact O-CG1 3.3Å; T248-I252 WeakPolarHBondContact O-CG1 3.21Å; T248-I252 PolarHBondContact O-N 2.76Å; I249-I252 PolarHBondContact O-N 3.08Å; V250-I252 PolarHBondContact O-N 3.14Å; I252-C255 PolarHBondContact O-N 2.98Å; I252-L256 HydrophobicContact CG2-CD1 3.5Å; I252-L256 HydrophobicContact CG2-CG 4.01Å; I252-L256 VanDerWaalsContact O-CB 3.23Å; I252-L256 WeakPolarHBondContact O-CB 3.35Å; I252-L256 VanDerWaalsContact O-CG 3.27Å; I252-L256 WeakPolarHBondContact O-CG 3.22Å; I252-L256 PolarHBondContact O-N 3.3Å; I252-L292 HydrophobicContact CG2-CD1 3.95Å; I252-F296 HydrophobicContact CB-CZ 4.09Å; I252-F296 HydrophobicContact CD1-CE1 3.75Å; I252-F296 HydrophobicContact CD1-CZ 3.49Å; I252-F296 VanDerWaalsContact CD1-CZ 3.49Å; I252-F296 HydrophobicContact CG1-CZ 4.36Å; I252-F296 HydrophobicContact CG2-CZ 3.96Å |
| 253 | Y | 95 | Very high | 92.6 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.1 | -41.3 | 177.1 | -85.4 | 47.3 | 0 | 0 | 0 | 112.1 | L49 H53 T97 V101 I249 V250 C255 L256 M257 G258 Q289 L293 F296 | L49-Y253 HydrophobicContact CD1-CE2 4.4Å; L49-Y253 HydrophobicContact CD2-CE2 4.2Å; H53-Y253 AromaticContact CE1-CE2 3.51Å; H53-Y253 AromaticContact CE1-CZ 3.9Å; H53-Y253 PolarHBondContact CE1-OH 3.29Å; H53-Y253 AromaticContact NE2-CE2 3.24Å; H53-Y253 WeakPolarHBondContact NE2-CE2 3.22Å; H53-Y253 AromaticContact NE2-CZ 3.41Å; H53-Y253 PolarHBondContact NE2-OH 2.95Å; T97-Y253 HydrophobicContact CG2-CD2 4.12Å; T97-Y253 HydrophobicContact CG2-CE2 4.14Å; V101-Y253 HydrophobicContact CG2-CD2 3.56Å; V101-Y253 HydrophobicContact CG2-CE2 4.19Å; V101-Y253 HydrophobicContact CG2-CG 4.2Å; I249-Y253 HydrophobicContact CG2-CD1 4.12Å; I249-Y253 HydrophobicContact CG2-CE1 4.19Å; I249-Y253 HydrophobicContact CG2-CG 4.45Å; I249-Y253 VanDerWaalsContact O-CB 3.27Å; I249-Y253 WeakPolarHBondContact O-CB 3.22Å; I249-Y253 WeakPolarHBondContact O-CD1 3.27Å; I249-Y253 PolarHBondContact O-N 2.89Å; V250-Y253 PolarHBondContact O-N 3.31Å; Y253-C255 VanDerWaalsContact C-N 3.33Å; Y253-L256 PolarHBondContact O-N 2.88Å; Y253-M257 PolarHBondContact O-N 3.43Å; Y253-G258 PolarHBondContact O-N 3.4Å; Y253-G258 VanDerWaalsContact O-N 3.14Å; Y253-Q289 HydrophobicContact CE2-CB 4.37Å; Y253-Q289 PolarHBondContact OH-O 2.61Å; Y253-L293 WeakPolarHBondContact OH-CB 3.37Å; Y253-F296 HydrophobicContact CE1-CE2 4.06Å |
| 254 | D | 93.4 | Very high | 92.5 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -63.6 | -40.9 | 174.2 | -66.3 | -22.5 | 0 | 0 | 0 | 110.4 | V184 V188 V250 G258 F259 | V184-D254 HydrophobicContact CG1-CB 4.16Å; V188-D254 VanDerWaalsContact CG2-OD2 3.29Å; V188-D254 WeakPolarHBondContact CG2-OD2 3.42Å; V250-D254 WeakPolarHBondContact CG1-OD2 3.37Å; V250-D254 WeakPolarHBondContact O-CB 3.47Å; V250-D254 PolarHBondContact O-N 2.67Å; D254-G258 CarbonylContact O-C 3.59Å; D254-G258 PolarHBondContact O-N 2.96Å; D254-F259 WeakPolarHBondContact O-CB 3.46Å; D254-F259 PolarHBondContact O-N 2.73Å |
| 255 | C | 92.2 | Very high | 92.3 | Very high | 63 Ų | 63 | 34 Ų | 34 | 43% | 0.426 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -70.5 | -39.3 | 175.9 | -72.4 | 0 | 0 | 0 | 0 | 114.1 | F251 I252 Y253 P260 | F251-C255 WeakPolarHBondContact O-CB 3.32Å; F251-C255 PolarHBondContact O-N 3.4Å; F251-C255 PolarHBondContact O-SG 2.95Å; I252-C255 PolarHBondContact O-N 2.98Å; Y253-C255 VanDerWaalsContact C-N 3.33Å; C255-P260 VanDerWaalsContact O-CD 3.22Å; C255-P260 WeakPolarHBondContact O-CD 3.38Å; C255-P260 WeakPolarHBondContact O-CG 3.2Å |
| 256 | L | 87.3 | Confident | 92.1 | Very high | 55 Ų | 55 | 39 Ų | 39 | 29% | 0.288 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -86.4 | -21.7 | -175.4 | -71.6 | 179.3 | 0 | 0 | 0 | 113.9 | I252 Y253 P260 C285 Q289 L292 | I252-L256 HydrophobicContact CG2-CD1 3.5Å; I252-L256 HydrophobicContact CG2-CG 4.01Å; I252-L256 VanDerWaalsContact O-CB 3.23Å; I252-L256 WeakPolarHBondContact O-CB 3.35Å; I252-L256 VanDerWaalsContact O-CG 3.27Å; I252-L256 WeakPolarHBondContact O-CG 3.22Å; I252-L256 PolarHBondContact O-N 3.3Å; Y253-L256 PolarHBondContact O-N 2.88Å; L256-P260 WeakPolarHBondContact O-CG 3.39Å; L256-C285 WeakPolarHBondContact O-CB 3.4Å; L256-C285 PolarHBondContact O-SG 3.22Å; L256-Q289 HydrophobicContact CB-CG 4.34Å; L256-L292 HydrophobicContact CD1-CD1 3.19Å |
| 257 | M | 86.5 | Confident | 91.8 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -140.8 | -46.4 | -174.2 | 175.4 | -106.4 | -156.6 | 0 | 0 | 113.3 | T94 T97 Y253 F259 V261 Q289 | T94-M257 HydrophobicContact CG2-CE 3.63Å; T97-M257 HydrophobicContact CG2-CE 4.34Å; Y253-M257 PolarHBondContact O-N 3.43Å; M257-F259 PolarHBondContact O-N 2.94Å; M257-V261 HydrophobicContact CG-CG2 4Å; M257-V261 WeakPolarHBondContact O-CB 3.25Å; M257-V261 WeakPolarHBondContact O-CG2 3.27Å; M257-V261 PolarHBondContact O-N 3.27Å; M257-Q289 HydrophobicContact CB-CG 4.15Å |
| 258 | G | 87.2 | Confident | 91.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -53.5 | -58 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y253 D254 L262 | Y253-G258 PolarHBondContact O-N 3.4Å; Y253-G258 VanDerWaalsContact O-N 3.14Å; D254-G258 CarbonylContact O-C 3.59Å; D254-G258 PolarHBondContact O-N 2.96Å; G258-L262 VanDerWaalsContact O-CB 3.32Å; G258-L262 WeakPolarHBondContact O-CB 3.43Å; G258-L262 WeakPolarHBondContact O-CD1 3.28Å; G258-L262 WeakPolarHBondContact O-CG 3.4Å; G258-L262 PolarHBondContact O-N 3.48Å |
| 259 | F | 89.8 | Confident | 90.9 | Very high | 136 Ų | 136 | 38.7 Ų | 38.7 | 60% | 0.596 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -67.3 | -48.8 | 179.2 | 179.8 | -96.7 | 0 | 0 | 0 | 113.3 | D254 M257 V261 L262 V263 | D254-F259 WeakPolarHBondContact O-CB 3.46Å; D254-F259 PolarHBondContact O-N 2.73Å; M257-F259 PolarHBondContact O-N 2.94Å; F259-V261 PolarHBondContact O-N 3.25Å; F259-L262 PolarHBondContact O-N 3.46Å; F259-V263 HydrophobicContact CD1-CG2 4.16Å; F259-V263 HydrophobicContact CD2-CG2 4.08Å; F259-V263 HydrophobicContact CE1-CG2 3.82Å; F259-V263 HydrophobicContact CE2-CG2 3.73Å; F259-V263 HydrophobicContact CG-CG2 4.29Å; F259-V263 HydrophobicContact CZ-CG2 3.6Å; F259-V263 WeakPolarHBondContact O-CB 3.44Å; F259-V263 VanDerWaalsContact O-CG2 3.31Å; F259-V263 WeakPolarHBondContact O-CG2 3.4Å; F259-V263 PolarHBondContact O-N 2.89Å |
| 260 | P | 90.9 | Very high | 90.6 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 14% | 0.143 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.5 | -42.9 | 175.7 | -30.5 | 39.4 | 0 | 0 | 0 | 114.3 | C255 L256 V263 V264 | C255-P260 VanDerWaalsContact O-CD 3.22Å; C255-P260 WeakPolarHBondContact O-CD 3.38Å; C255-P260 WeakPolarHBondContact O-CG 3.2Å; L256-P260 WeakPolarHBondContact O-CG 3.39Å; P260-V263 PolarHBondContact O-N 3.37Å; P260-V264 WeakPolarHBondContact O-CB 3.19Å; P260-V264 VanDerWaalsContact O-CG2 3.28Å; P260-V264 WeakPolarHBondContact O-CG2 3.2Å; P260-V264 PolarHBondContact O-N 3.03Å |
| 261 | V | 89.8 | Confident | 90 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 177.5 | 171.7 | 0 | 0 | 0 | 0 | 111 | F176 M257 F259 S265 V282 | F176-V261 HydrophobicContact CE1-CG1 3.74Å; F176-V261 HydrophobicContact CZ-CG1 3.85Å; M257-V261 HydrophobicContact CG-CG2 4Å; M257-V261 WeakPolarHBondContact O-CB 3.25Å; M257-V261 WeakPolarHBondContact O-CG2 3.27Å; M257-V261 PolarHBondContact O-N 3.27Å; F259-V261 PolarHBondContact O-N 3.25Å; V261-S265 WeakPolarHBondContact O-CB 3.37Å; V261-S265 PolarHBondContact O-N 3.46Å; V261-S265 PolarHBondContact O-OG 2.88Å; V261-V282 HydrophobicContact CG2-CG1 4.15Å; V261-V282 HydrophobicContact CG2-CG2 4.29Å |
| 262 | L | 92 | Very high | 89.4 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 20% | 0.199 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 175.3 | -73.6 | 169.8 | 0 | 0 | 0 | 111.8 | L177 V180 G258 F259 S265 F266 | L177-L262 HydrophobicContact CD2-CD2 3.62Å; V180-L262 HydrophobicContact CB-CD2 3.95Å; V180-L262 HydrophobicContact CB-CG 4.48Å; V180-L262 HydrophobicContact CG1-CD1 4.32Å; V180-L262 HydrophobicContact CG1-CD2 3.86Å; V180-L262 HydrophobicContact CG1-CG 3.83Å; G258-L262 VanDerWaalsContact O-CB 3.32Å; G258-L262 WeakPolarHBondContact O-CB 3.43Å; G258-L262 WeakPolarHBondContact O-CD1 3.28Å; G258-L262 WeakPolarHBondContact O-CG 3.4Å; G258-L262 PolarHBondContact O-N 3.48Å; F259-L262 PolarHBondContact O-N 3.46Å; L262-S265 PolarHBondContact O-N 2.64Å; L262-F266 WeakPolarHBondContact O-CB 3.4Å; L262-F266 PolarHBondContact O-N 3.29Å |
| 263 | V | 92.1 | Very high | 88.4 | Confident | 60 Ų | 60 | 51.8 Ų | 51.8 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 178.8 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | F259 P260 S265 F266 S267 | F259-V263 HydrophobicContact CD1-CG2 4.16Å; F259-V263 HydrophobicContact CD2-CG2 4.08Å; F259-V263 HydrophobicContact CE1-CG2 3.82Å; F259-V263 HydrophobicContact CE2-CG2 3.73Å; F259-V263 HydrophobicContact CG-CG2 4.29Å; F259-V263 HydrophobicContact CZ-CG2 3.6Å; F259-V263 WeakPolarHBondContact O-CB 3.44Å; F259-V263 VanDerWaalsContact O-CG2 3.31Å; F259-V263 WeakPolarHBondContact O-CG2 3.4Å; F259-V263 PolarHBondContact O-N 2.89Å; P260-V263 PolarHBondContact O-N 3.37Å; V263-S265 PolarHBondContact O-N 3.25Å; V263-F266 PolarHBondContact O-N 2.95Å; V263-S267 WeakPolarHBondContact O-CB 3.39Å; V263-S267 PolarHBondContact O-N 3.34Å; V263-S267 PolarHBondContact O-OG 2.91Å |
| 264 | V | 91 | Very high | 87.6 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -48.5 | 177.2 | 159.6 | 0 | 0 | 0 | 0 | 111.2 | P260 S267 S268 W277 M278 V282 | P260-V264 WeakPolarHBondContact O-CB 3.19Å; P260-V264 VanDerWaalsContact O-CG2 3.28Å; P260-V264 WeakPolarHBondContact O-CG2 3.2Å; P260-V264 PolarHBondContact O-N 3.03Å; V264-S267 PolarHBondContact O-N 3.45Å; V264-S268 WeakPolarHBondContact O-CB 3.18Å; V264-S268 PolarHBondContact O-N 2.85Å; V264-W277 HydrophobicContact CG2-CZ3 4.45Å; V264-M278 HydrophobicContact CB-CE 4.42Å; V264-M278 HydrophobicContact CG1-CB 3.87Å; V264-M278 HydrophobicContact CG1-CE 3.92Å; V264-M278 HydrophobicContact CG2-CB 4.36Å; V264-M278 WeakPolarHBondContact O-CE 3.24Å; V264-V282 HydrophobicContact CB-CG2 4.2Å; V264-V282 HydrophobicContact CG1-CG2 3.93Å; V264-V282 HydrophobicContact CG2-CG2 4.19Å |
| 265 | S | 89.6 | Confident | 87 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.5 | -43.6 | -177.4 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | V165 V261 L262 V263 S268 L269 | V165-S265 WeakPolarHBondContact CG2-OG 3.27Å; V261-S265 WeakPolarHBondContact O-CB 3.37Å; V261-S265 PolarHBondContact O-N 3.46Å; V261-S265 PolarHBondContact O-OG 2.88Å; L262-S265 PolarHBondContact O-N 2.64Å; V263-S265 PolarHBondContact O-N 3.25Å; S265-S268 PolarHBondContact O-N 3.37Å; S265-L269 WeakPolarHBondContact O-CB 3.35Å; S265-L269 WeakPolarHBondContact O-CG 3.47Å; S265-L269 PolarHBondContact O-N 2.95Å |
| 266 | F | 90.3 | Very high | 86.4 | Confident | 117 Ų | 117 | 55.8 Ų | 55.8 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 176.4 | 178.1 | -98.7 | 0 | 0 | 0 | 112.4 | L177 L262 V263 S268 L269 R270 | L177-F266 HydrophobicContact CD1-CB 4.28Å; L177-F266 HydrophobicContact CD1-CD2 4.47Å; L177-F266 HydrophobicContact CD2-CB 4.44Å; L262-F266 WeakPolarHBondContact O-CB 3.4Å; L262-F266 PolarHBondContact O-N 3.29Å; V263-F266 PolarHBondContact O-N 2.95Å; F266-S268 VanDerWaalsContact C-N 3.31Å; F266-S268 PolarHBondContact O-N 2.96Å; F266-L269 PolarHBondContact O-N 2.89Å; F266-R270 VanDerWaalsContact O-CB 3.27Å; F266-R270 WeakPolarHBondContact O-CB 2.98Å; F266-R270 PolarHBondContact O-N 3.2Å |
| 267 | S | 88.5 | Confident | 86.2 | Confident | 53 Ų | 53 | 60.3 Ų | 60.3 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62 | -39.3 | 176.8 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | V263 V264 A271 | V263-S267 WeakPolarHBondContact O-CB 3.39Å; V263-S267 PolarHBondContact O-N 3.34Å; V263-S267 PolarHBondContact O-OG 2.91Å; V264-S267 PolarHBondContact O-N 3.45Å; S267-A271 VanDerWaalsContact O-CB 3.25Å; S267-A271 WeakPolarHBondContact O-CB 3.48Å; S267-A271 PolarHBondContact O-N 3.37Å |
| 268 | S | 86.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.3 | -50.7 | 177.2 | -153.4 | 0 | 0 | 0 | 0 | 111 | I164 A166 V264 S265 F266 R270 A271 D272 A273 | I164-S268 WeakPolarHBondContact CG2-OG 3.05Å; A166-S268 WeakPolarHBondContact CB-O 3.26Å; A166-S268 WeakPolarHBondContact CB-OG 3.48Å; V264-S268 WeakPolarHBondContact O-CB 3.18Å; V264-S268 PolarHBondContact O-N 2.85Å; S265-S268 PolarHBondContact O-N 3.37Å; F266-S268 VanDerWaalsContact C-N 3.31Å; F266-S268 PolarHBondContact O-N 2.96Å; S268-R270 VanDerWaalsContact C-N 3.25Å; S268-R270 PolarHBondContact O-N 3.12Å; S268-A271 PolarHBondContact O-N 2.86Å; S268-D272 PolarHBondContact O-N 2.88Å; S268-A273 WeakPolarHBondContact CA-O 3.24Å; S268-A273 PolarHBondContact O-N 3.48Å; S268-A273 PolarHBondContact OG-O 2.95Å |
| 269 | L | 86.2 | Confident | 86.2 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 17% | 0.168 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.3 | -32.7 | 178.7 | -76.6 | 165.6 | 0 | 0 | 0 | 112.9 | V165 L170 L177 S265 F266 | V165-L269 HydrophobicContact CG1-CD1 3.75Å; V165-L269 HydrophobicContact CG1-CD2 4.17Å; V165-L269 HydrophobicContact CG1-CG 3.95Å; L170-L269 HydrophobicContact CD1-CD2 4.12Å; L177-L269 HydrophobicContact CD1-CD1 3.59Å; L177-L269 HydrophobicContact CG-CD1 4.34Å; S265-L269 WeakPolarHBondContact O-CB 3.35Å; S265-L269 WeakPolarHBondContact O-CG 3.47Å; S265-L269 PolarHBondContact O-N 2.95Å; F266-L269 PolarHBondContact O-N 2.89Å |
| 270 | R | 88.3 | Confident | 86.1 | Confident | 205 Ų | 205 | 56.6 Ų | 56.6 | 77% | 0.774 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -75.6 | -34.8 | 176.9 | -177.7 | 179.2 | 177.3 | -160.6 | -1.6 | 112.9 | F266 S268 | F266-R270 VanDerWaalsContact O-CB 3.27Å; F266-R270 WeakPolarHBondContact O-CB 2.98Å; F266-R270 PolarHBondContact O-N 3.2Å; S268-R270 VanDerWaalsContact C-N 3.25Å; S268-R270 PolarHBondContact O-N 3.12Å |
| 271 | A | 84.2 | Confident | 86 | Confident | 68 Ų | 68 | 57.6 Ų | 57.6 | 56% | 0.562 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -88 | -9.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S267 S268 A273 | S267-A271 VanDerWaalsContact O-CB 3.25Å; S267-A271 WeakPolarHBondContact O-CB 3.48Å; S267-A271 PolarHBondContact O-N 3.37Å; S268-A271 PolarHBondContact O-N 2.86Å; A271-A273 HydrophobicContact CB-CB 4.31Å; A271-A273 PolarHBondContact O-N 3.15Å |
| 272 | D | 81.2 | Confident | 86 | Confident | 141 Ų | 141 | 57.6 Ų | 57.6 | 75% | 0.754 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 38.1 | -169.4 | -151.9 | 22.6 | 0 | 0 | 0 | 112.9 | S268 | S268-D272 PolarHBondContact O-N 2.88Š|
| 273 | A | 75.3 | Confident | 86 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | trans | -152.2 | 144.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S268 A271 | S268-A273 WeakPolarHBondContact CA-O 3.24Å; S268-A273 PolarHBondContact O-N 3.48Å; S268-A273 PolarHBondContact OG-O 2.95Å; A271-A273 HydrophobicContact CB-CB 4.31Å; A271-A273 PolarHBondContact O-N 3.15Å | ||
| 274 | S | 76.8 | Confident | 86 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 24% | 0.238 | 31% | 0.306 | C | S | . | . | trans | -111.9 | 133.2 | 170.1 | 80.2 | 0 | 0 | 0 | 0 | 111.2 | E167 | E167-S274 VanDerWaalsContact OE1-CB 3.28Å; E167-S274 WeakPolarHBondContact OE1-CB 3.36Å; E167-S274 PolarHBondContact OE1-OG 3.39Å | ||
| 275 | A | 81.4 | Confident | 86.1 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 25% | 0.248 | 31% | 0.311 | C | S | . | . | trans | -107.6 | 142.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | W277 M278 | A275-W277 HydrophobicContact CB-CG 4.43Å; A275-W277 VanDerWaalsContact CB-NE1 3.33Å; A275-W277 PolarHBondContact O-N 2.87Å; A275-W277 VanDerWaalsContact O-N 3.14Å; A275-M278 HydrophobicContact CB-CG 4.12Å; A275-M278 HydrophobicContact CB-SD 3.76Å; A275-M278 PolarHBondContact N-SD 3.04Å; A275-M278 VanDerWaalsContact O-CB 3.24Å; A275-M278 WeakPolarHBondContact O-CB 3.36Å; A275-M278 WeakPolarHBondContact O-CG 3.25Å; A275-M278 PolarHBondContact O-N 3.39Å | ||
| 276 | P | 80.3 | Confident | 86.3 | Confident | 107 Ų | 107 | 58.2 Ų | 58.2 | 70% | 0.695 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.5 | -29.5 | -172.1 | 23.4 | -34 | 0 | 0 | 0 | 113.3 | M278 A279 L280 | P276-M278 PolarHBondContact O-N 2.94Å; P276-A279 PolarHBondContact O-N 2.93Å; P276-L280 WeakPolarHBondContact O-CG 3.29Å; P276-L280 PolarHBondContact O-N 3.49Å |
| 277 | W | 83.4 | Confident | 86.5 | Confident | 151 Ų | 151 | 52.7 Ų | 52.7 | 57% | 0.572 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.8 | -25.5 | 175.9 | 70.1 | -99.3 | 0 | 0 | 0 | 113.1 | V264 A275 L280 C281 | V264-W277 HydrophobicContact CG2-CZ3 4.45Å; A275-W277 HydrophobicContact CB-CG 4.43Å; A275-W277 VanDerWaalsContact CB-NE1 3.33Å; A275-W277 PolarHBondContact O-N 2.87Å; A275-W277 VanDerWaalsContact O-N 3.14Å; W277-L280 PolarHBondContact O-N 2.94Å; W277-C281 HydrophobicContact CE3-CB 4.47Å; W277-C281 WeakPolarHBondContact O-CB 3.37Å; W277-C281 PolarHBondContact O-N 2.88Å |
| 278 | M | 87.8 | Confident | 86.8 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.4 | -43.5 | -179.3 | -60.9 | 169 | 81.7 | 0 | 0 | 110.6 | I164 V264 A275 P276 C281 V282 | I164-M278 HydrophobicContact CD1-CB 4.45Å; V264-M278 HydrophobicContact CB-CE 4.42Å; V264-M278 HydrophobicContact CG1-CB 3.87Å; V264-M278 HydrophobicContact CG1-CE 3.92Å; V264-M278 HydrophobicContact CG2-CB 4.36Å; V264-M278 WeakPolarHBondContact O-CE 3.24Å; A275-M278 HydrophobicContact CB-CG 4.12Å; A275-M278 HydrophobicContact CB-SD 3.76Å; A275-M278 PolarHBondContact N-SD 3.04Å; A275-M278 VanDerWaalsContact O-CB 3.24Å; A275-M278 WeakPolarHBondContact O-CB 3.36Å; A275-M278 WeakPolarHBondContact O-CG 3.25Å; A275-M278 PolarHBondContact O-N 3.39Å; P276-M278 PolarHBondContact O-N 2.94Å; M278-C281 PolarHBondContact O-N 3.47Å; M278-V282 WeakPolarHBondContact O-CG2 3.29Å; M278-V282 PolarHBondContact O-N 2.93Å; M278-V282 VanDerWaalsContact O-N 3.09Å |
| 279 | A | 85.3 | Confident | 87.1 | Confident | 8 Ų | 8 | 52 Ų | 52 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F163 I164 P276 C281 V282 L283 | F163-A279 HydrophobicContact CE1-CB 3.75Å; F163-A279 HydrophobicContact CZ-CB 3.77Å; I164-A279 HydrophobicContact CD1-CB 4.19Å; P276-A279 PolarHBondContact O-N 2.93Å; A279-C281 VanDerWaalsContact C-N 3.33Å; A279-C281 PolarHBondContact O-N 2.98Å; A279-V282 PolarHBondContact O-N 3.44Å; A279-L283 WeakPolarHBondContact O-CB 3.35Å; A279-L283 WeakPolarHBondContact O-CD1 3.31Å; A279-L283 WeakPolarHBondContact O-CG 3.24Å; A279-L283 PolarHBondContact O-N 3.37Å |
| 280 | L | 87.3 | Confident | 87.6 | Confident | 47 Ų | 47 | 50.4 Ų | 50.4 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 177 | -61.8 | -179.8 | 0 | 0 | 0 | 111.8 | W14 P276 W277 W284 | W14-L280 HydrophobicContact CH2-CD2 3.44Å; W14-L280 VanDerWaalsContact CH2-CD2 3.44Å; W14-L280 HydrophobicContact CZ2-CD2 3.57Å; P276-L280 WeakPolarHBondContact O-CG 3.29Å; P276-L280 PolarHBondContact O-N 3.49Å; W277-L280 PolarHBondContact O-N 2.94Å; L280-W284 WeakPolarHBondContact O-CB 3.45Å; L280-W284 PolarHBondContact O-N 2.99Å |
| 281 | C | 89 | Confident | 87.9 | Confident | 44 Ų | 44 | 43 Ų | 43 | 30% | 0.297 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.4 | -56 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | W277 M278 A279 L283 W284 C285 | W277-C281 HydrophobicContact CE3-CB 4.47Å; W277-C281 WeakPolarHBondContact O-CB 3.37Å; W277-C281 PolarHBondContact O-N 2.88Å; M278-C281 PolarHBondContact O-N 3.47Å; A279-C281 VanDerWaalsContact C-N 3.33Å; A279-C281 PolarHBondContact O-N 2.98Å; C281-L283 PolarHBondContact O-N 3.3Å; C281-W284 PolarHBondContact O-N 3.41Å; C281-C285 VanDerWaalsContact O-CB 3.3Å; C281-C285 WeakPolarHBondContact O-CB 3.29Å; C281-C285 PolarHBondContact O-N 3.03Å; C281-C285 PolarHBondContact O-SG 2.83Å |
| 282 | V | 90.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | -177.7 | 172.4 | 0 | 0 | 0 | 0 | 112.2 | F90 V261 V264 M278 A279 C285 S286 | F90-V282 HydrophobicContact CE1-CG1 4.25Å; F90-V282 HydrophobicContact CE2-CG1 4.28Å; F90-V282 HydrophobicContact CZ-CG1 3.45Å; F90-V282 VanDerWaalsContact CZ-CG1 3.45Å; V261-V282 HydrophobicContact CG2-CG1 4.15Å; V261-V282 HydrophobicContact CG2-CG2 4.29Å; V264-V282 HydrophobicContact CB-CG2 4.2Å; V264-V282 HydrophobicContact CG1-CG2 3.93Å; V264-V282 HydrophobicContact CG2-CG2 4.19Å; M278-V282 WeakPolarHBondContact O-CG2 3.29Å; M278-V282 PolarHBondContact O-N 2.93Å; M278-V282 VanDerWaalsContact O-N 3.09Å; A279-V282 PolarHBondContact O-N 3.44Å; V282-C285 WeakPolarHBondContact O-CB 3.21Å; V282-C285 PolarHBondContact O-N 3Å; V282-S286 PolarHBondContact O-N 2.54Å; V282-S286 PolarHBondContact O-OG 3.44Å |
| 283 | L | 91.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.1 | -44.8 | 178.7 | -68.4 | 166.3 | 0 | 0 | 0 | 112.4 | W14 I61 Y64 F163 A279 C281 S286 V287 | W14-L283 HydrophobicContact CH2-CD1 4.12Å; W14-L283 HydrophobicContact CZ2-CB 4.2Å; W14-L283 HydrophobicContact CZ2-CD1 4.13Å; W14-L283 HydrophobicContact CZ3-CD1 4.49Å; I61-L283 HydrophobicContact CD1-CB 4.46Å; I61-L283 HydrophobicContact CD1-CD2 3.51Å; Y64-L283 HydrophobicContact CD1-CD1 3.43Å; Y64-L283 VanDerWaalsContact CD1-CD1 3.43Å; Y64-L283 HydrophobicContact CE1-CD1 3.28Å; Y64-L283 HydrophobicContact CE2-CD1 4.43Å; Y64-L283 HydrophobicContact CG-CD1 4.08Å; F163-L283 HydrophobicContact CE1-CD1 4.49Å; F163-L283 HydrophobicContact CZ-CD1 4.22Å; F163-L283 HydrophobicContact CZ-CD2 4.29Å; F163-L283 HydrophobicContact CZ-CG 4.12Å; A279-L283 WeakPolarHBondContact O-CB 3.35Å; A279-L283 WeakPolarHBondContact O-CD1 3.31Å; A279-L283 WeakPolarHBondContact O-CG 3.24Å; A279-L283 PolarHBondContact O-N 3.37Å; C281-L283 PolarHBondContact O-N 3.3Å; L283-S286 PolarHBondContact O-N 3.42Å; L283-V287 WeakPolarHBondContact O-CG2 3.2Å; L283-V287 PolarHBondContact O-N 2.74Å |
| 284 | W | 92.9 | Very high | 89.9 | Confident | 97 Ų | 97 | 33.6 Ų | 33.6 | 37% | 0.367 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.2 | -38.7 | 175.7 | -82.7 | 116.5 | 0 | 0 | 0 | 112.3 | W14 L280 C281 V287 A288 | W14-W284 AromaticContact CD1-CD2 3.63Å; W14-W284 AromaticContact CD1-CE2 3.64Å; W14-W284 AromaticContact CD1-CE3 3.72Å; W14-W284 AromaticContact CD1-CH2 3.87Å; W14-W284 AromaticContact CD1-CZ2 3.77Å; W14-W284 AromaticContact CD1-CZ3 3.84Å; W14-W284 AromaticContact CE2-CE2 3.91Å; W14-W284 AromaticContact CE2-NE1 3.74Å; W14-W284 AromaticContact CZ2-NE1 3.83Å; W14-W284 AromaticContact NE1-CD1 3.48Å; W14-W284 AromaticContact NE1-CD2 3.21Å; W14-W284 AromaticContact NE1-CE2 3.11Å; W14-W284 AromaticContact NE1-CE3 3.82Å; W14-W284 AromaticContact NE1-CG 3.47Å; W14-W284 AromaticContact NE1-CZ2 3.66Å; W14-W284 AromaticContact NE1-NE1 3.27Å; L280-W284 WeakPolarHBondContact O-CB 3.45Å; L280-W284 PolarHBondContact O-N 2.99Å; C281-W284 PolarHBondContact O-N 3.41Å; W284-V287 PolarHBondContact O-N 3.46Å; W284-A288 WeakPolarHBondContact O-CB 3.26Å; W284-A288 PolarHBondContact O-N 3.47Å |
| 285 | C | 93.4 | Very high | 90.7 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 14% | 0.135 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57 | -48.3 | 171.5 | -77.2 | 0 | 0 | 0 | 0 | 112.1 | L256 C281 V282 V287 A288 Q289 | L256-C285 WeakPolarHBondContact O-CB 3.4Å; L256-C285 PolarHBondContact O-SG 3.22Å; C281-C285 VanDerWaalsContact O-CB 3.3Å; C281-C285 WeakPolarHBondContact O-CB 3.29Å; C281-C285 PolarHBondContact O-N 3.03Å; C281-C285 PolarHBondContact O-SG 2.83Å; V282-C285 WeakPolarHBondContact O-CB 3.21Å; V282-C285 PolarHBondContact O-N 3Å; C285-V287 PolarHBondContact O-N 3.41Å; C285-A288 PolarHBondContact O-N 2.96Å; C285-Q289 WeakPolarHBondContact O-CG 3.4Å; C285-Q289 PolarHBondContact O-N 3.42Å |
| 286 | S | 92.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 176.2 | -69.6 | 0 | 0 | 0 | 0 | 113.5 | V282 L283 A290 | V282-S286 PolarHBondContact O-N 2.54Å; V282-S286 PolarHBondContact O-OG 3.44Å; L283-S286 PolarHBondContact O-N 3.42Å; S286-A290 PolarHBondContact O-N 2.86Å |
| 287 | V | 94.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.8 | -40 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | C17 I61 L283 W284 C285 A290 L291 | C17-V287 HydrophobicContact CB-CG1 3.52Å; I61-V287 HydrophobicContact CD1-CG2 4.24Å; I61-V287 HydrophobicContact CG1-CG2 4.23Å; I61-V287 HydrophobicContact CG2-CG2 3.85Å; L283-V287 WeakPolarHBondContact O-CG2 3.2Å; L283-V287 PolarHBondContact O-N 2.74Å; W284-V287 PolarHBondContact O-N 3.46Å; C285-V287 PolarHBondContact O-N 3.41Å; V287-A290 PolarHBondContact O-N 3.02Å; V287-L291 HydrophobicContact CG1-CD1 4.22Å; V287-L291 PolarHBondContact O-N 3.35Å; V287-L291 VanDerWaalsContact O-N 3.13Å |
| 288 | A | 94.7 | Very high | 92.2 | Very high | 34 Ų | 34 | 30.8 Ų | 30.8 | 28% | 0.281 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W284 C285 A290 L291 L292 | W284-A288 WeakPolarHBondContact O-CB 3.26Å; W284-A288 PolarHBondContact O-N 3.47Å; C285-A288 PolarHBondContact O-N 2.96Å; A288-A290 PolarHBondContact O-N 3.26Å; A288-L291 PolarHBondContact O-N 3.02Å; A288-L292 WeakPolarHBondContact O-CD1 3.06Å; A288-L292 VanDerWaalsContact O-CG 3.23Å; A288-L292 WeakPolarHBondContact O-CG 3.32Å; A288-L292 PolarHBondContact O-N 3Å; A288-L292 VanDerWaalsContact O-N 3.15Å |
| 289 | Q | 93.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.4 | -47.6 | 174.3 | -72 | 178.3 | -67.6 | 0 | 0 | 112.3 | Y253 L256 M257 C285 L291 L292 L293 | Y253-Q289 HydrophobicContact CE2-CB 4.37Å; Y253-Q289 PolarHBondContact OH-O 2.61Å; L256-Q289 HydrophobicContact CB-CG 4.34Å; M257-Q289 HydrophobicContact CB-CG 4.15Å; C285-Q289 WeakPolarHBondContact O-CG 3.4Å; C285-Q289 PolarHBondContact O-N 3.42Å; Q289-L291 VanDerWaalsContact C-N 3.25Å; Q289-L291 PolarHBondContact O-N 2.7Å; Q289-L292 PolarHBondContact O-N 3.04Å; Q289-L293 PolarHBondContact O-N 2.03Å |
| 290 | A | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.6 | -37.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S21 N25 H53 V57 S286 V287 A288 P294 | S21-A290 WeakPolarHBondContact OG-CB 3.45Å; S21-A290 PolarHBondContact OG-O 2.68Å; N25-A290 PolarHBondContact ND2-O 2.91Å; H53-A290 HydrophobicContact CB-CB 3.89Å; V57-A290 HydrophobicContact CG2-CB 3.87Å; S286-A290 PolarHBondContact O-N 2.86Å; V287-A290 PolarHBondContact O-N 3.02Å; A288-A290 PolarHBondContact O-N 3.26Å; A290-P294 WeakPolarHBondContact O-CD 3.35Å |
| 291 | L | 95.6 | Very high | 92.2 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 25% | 0.251 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.1 | -24.3 | 173.8 | -73.6 | 168.6 | 0 | 0 | 0 | 114.3 | C17 L20 S21 V287 A288 Q289 | C17-L291 HydrophobicContact CB-CD1 4.14Å; L20-L291 HydrophobicContact CB-CD2 4.39Å; L20-L291 HydrophobicContact CD2-CD2 4.14Å; L20-L291 HydrophobicContact CG-CD2 4.07Å; S21-L291 PolarHBondContact OG-N 2.99Å; V287-L291 HydrophobicContact CG1-CD1 4.22Å; V287-L291 PolarHBondContact O-N 3.35Å; V287-L291 VanDerWaalsContact O-N 3.13Å; A288-L291 PolarHBondContact O-N 3.02Å; Q289-L291 VanDerWaalsContact C-N 3.25Å; Q289-L291 PolarHBondContact O-N 2.7Å |
| 292 | L | 95.3 | Very high | 91.9 | Very high | 45 Ų | 45 | 36.7 Ų | 36.7 | 24% | 0.236 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -84.2 | -33.2 | -172.9 | -77.6 | 164.9 | 0 | 0 | 0 | 114.2 | I252 L256 A288 Q289 V295 F296 | I252-L292 HydrophobicContact CG2-CD1 3.95Å; L256-L292 HydrophobicContact CD1-CD1 3.19Å; A288-L292 WeakPolarHBondContact O-CD1 3.06Å; A288-L292 VanDerWaalsContact O-CG 3.23Å; A288-L292 WeakPolarHBondContact O-CG 3.32Å; A288-L292 PolarHBondContact O-N 3Å; A288-L292 VanDerWaalsContact O-N 3.15Å; Q289-L292 PolarHBondContact O-N 3.04Å; L292-V295 WeakPolarHBondContact O-CB 3.34Å; L292-V295 PolarHBondContact O-N 2.92Å; L292-V295 VanDerWaalsContact O-N 3.07Å; L292-F296 HydrophobicContact CB-CD2 4.36Å; L292-F296 HydrophobicContact CB-CE2 3.74Å; L292-F296 HydrophobicContact CB-CZ 3.93Å; L292-F296 HydrophobicContact CD2-CE1 4.45Å; L292-F296 HydrophobicContact CD2-CZ 4.13Å; L292-F296 HydrophobicContact CG-CZ 4.44Å; L292-F296 VanDerWaalsContact O-CD2 3.27Å; L292-F296 WeakPolarHBondContact O-CD2 3.21Å; L292-F296 WeakPolarHBondContact O-CG 3.05Å; L292-F296 PolarHBondContact O-N 2.93Å |
| 293 | L | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.5 | -46.6 | 179 | -177.9 | 63.1 | 0 | 0 | 0 | 113.2 | L46 L49 A50 I249 Y253 Q289 V295 F296 L297 | L46-L293 HydrophobicContact CD2-CD1 4.4Å; L49-L293 HydrophobicContact CB-CD2 4.24Å; L49-L293 HydrophobicContact CD2-CD1 4.33Å; L49-L293 HydrophobicContact CD2-CD2 4.18Å; L49-L293 HydrophobicContact CG-CD2 4.02Å; A50-L293 HydrophobicContact CB-CD2 3.71Å; I249-L293 HydrophobicContact CD1-CD1 4.27Å; Y253-L293 WeakPolarHBondContact OH-CB 3.37Å; Q289-L293 PolarHBondContact O-N 2.03Å; L293-V295 VanDerWaalsContact C-N 3.27Å; L293-V295 PolarHBondContact O-N 3.4Å; L293-F296 PolarHBondContact O-N 3.46Å; L293-L297 HydrophobicContact CD1-CD1 4.48Å; L293-L297 HydrophobicContact CD1-CG 4.3Å; L293-L297 HydrophobicContact CG-CD1 4.23Å; L293-L297 HydrophobicContact CG-CG 4.47Å; L293-L297 WeakPolarHBondContact O-CG 3.46Å; L293-L297 PolarHBondContact O-N 3.1Å |
| 294 | P | 93.8 | Very high | 91.3 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 12% | 0.117 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -36.2 | 175 | -25.8 | 37 | 0 | 0 | 0 | 113.2 | A24 N25 A290 L297 W298 | A24-P294 VanDerWaalsContact C-CG 3.43Å; A24-P294 HydrophobicContact CB-CB 3.83Å; A24-P294 HydrophobicContact CB-CG 3.66Å; A24-P294 WeakPolarHBondContact O-CB 3.42Å; A24-P294 WeakPolarHBondContact O-CG 3.38Å; N25-P294 HydrophobicContact CB-CG 4.45Å; A290-P294 WeakPolarHBondContact O-CD 3.35Å; P294-L297 PolarHBondContact O-N 3.49Å; P294-W298 VanDerWaalsContact O-CB 3.29Å; P294-W298 WeakPolarHBondContact O-CB 3.04Å; P294-W298 PolarHBondContact O-N 3.45Å |
| 295 | V | 93.5 | Very high | 90.9 | Very high | 86 Ų | 86 | 38.2 Ų | 38.2 | 52% | 0.521 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.5 | -42.3 | 176.9 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | L292 L293 W298 A299 | L292-V295 WeakPolarHBondContact O-CB 3.34Å; L292-V295 PolarHBondContact O-N 2.92Å; L292-V295 VanDerWaalsContact O-N 3.07Å; L293-V295 VanDerWaalsContact C-N 3.27Å; L293-V295 PolarHBondContact O-N 3.4Å; V295-W298 PolarHBondContact O-N 3.05Å; V295-A299 WeakPolarHBondContact O-CB 3.44Å; V295-A299 PolarHBondContact O-N 3.21Å |
| 296 | F | 93.6 | Very high | 90.4 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 9% | 0.092 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -39.2 | 176.3 | -59.9 | -38.3 | 0 | 0 | 0 | 112.9 | L245 T248 I249 I252 Y253 L292 L293 C300 | L245-F296 HydrophobicContact CD1-CB 3.75Å; L245-F296 WeakPolarHBondContact CD1-O 3.32Å; T248-F296 HydrophobicContact CG2-CD1 4.29Å; T248-F296 HydrophobicContact CG2-CE1 4Å; T248-F296 HydrophobicContact CG2-CZ 4.49Å; I249-F296 HydrophobicContact CG1-CB 4.23Å; I249-F296 HydrophobicContact CG1-CD2 3.69Å; I249-F296 HydrophobicContact CG1-CE2 4.35Å; I249-F296 HydrophobicContact CG1-CG 4.19Å; I252-F296 HydrophobicContact CB-CZ 4.09Å; I252-F296 HydrophobicContact CD1-CE1 3.75Å; I252-F296 HydrophobicContact CD1-CZ 3.49Å; I252-F296 VanDerWaalsContact CD1-CZ 3.49Å; I252-F296 HydrophobicContact CG1-CZ 4.36Å; I252-F296 HydrophobicContact CG2-CZ 3.96Å; Y253-F296 HydrophobicContact CE1-CE2 4.06Å; L292-F296 HydrophobicContact CB-CD2 4.36Å; L292-F296 HydrophobicContact CB-CE2 3.74Å; L292-F296 HydrophobicContact CB-CZ 3.93Å; L292-F296 HydrophobicContact CD2-CE1 4.45Å; L292-F296 HydrophobicContact CD2-CZ 4.13Å; L292-F296 HydrophobicContact CG-CZ 4.44Å; L292-F296 VanDerWaalsContact O-CD2 3.27Å; L292-F296 WeakPolarHBondContact O-CD2 3.21Å; L292-F296 WeakPolarHBondContact O-CG 3.05Å; L292-F296 PolarHBondContact O-N 2.93Å; L293-F296 PolarHBondContact O-N 3.46Å; F296-C300 PolarHBondContact O-N 3.45Å |
| 297 | L | 91.8 | Very high | 90 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | 173.7 | -66.2 | 176.5 | 0 | 0 | 0 | 111.3 | L46 L293 P294 C300 Y303 | L46-L297 HydrophobicContact CD1-CD2 4.18Å; L293-L297 HydrophobicContact CD1-CD1 4.48Å; L293-L297 HydrophobicContact CD1-CG 4.3Å; L293-L297 HydrophobicContact CG-CD1 4.23Å; L293-L297 HydrophobicContact CG-CG 4.47Å; L293-L297 WeakPolarHBondContact O-CG 3.46Å; L293-L297 PolarHBondContact O-N 3.1Å; P294-L297 PolarHBondContact O-N 3.49Å; L297-C300 PolarHBondContact O-N 3.41Å; L297-Y303 HydrophobicContact CD2-CD2 3.9Å; L297-Y303 HydrophobicContact CD2-CG 4.17Å |
| 298 | W | 90.6 | Very high | 89.5 | Confident | 146 Ų | 146 | 55.4 Ų | 55.4 | 55% | 0.553 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.2 | -40.8 | 175.9 | -173.7 | -63.9 | 0 | 0 | 0 | 112.5 | P294 V295 C300 R304 | P294-W298 VanDerWaalsContact O-CB 3.29Å; P294-W298 WeakPolarHBondContact O-CB 3.04Å; P294-W298 PolarHBondContact O-N 3.45Å; V295-W298 PolarHBondContact O-N 3.05Å; W298-C300 PolarHBondContact O-N 3.46Å; W298-C300 VanDerWaalsContact O-N 3.16Å; W298-R304 WeakPolarHBondContact O-CB 3.49Å |
| 299 | A | 88.9 | Confident | 89.1 | Confident | 72 Ų | 72 | 55.4 Ų | 55.4 | 60% | 0.595 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V295 | V295-A299 WeakPolarHBondContact O-CB 3.44Å; V295-A299 PolarHBondContact O-N 3.21Å |
| 300 | C | 87.3 | Confident | 88.7 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 9% | 0.088 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -101.8 | 114.4 | 175.6 | -74.5 | 0 | 0 | 0 | 0 | 112 | L245 F296 L297 W298 R302 Y303 R304 | L245-C300 HydrophobicContact CD2-CB 4.38Å; F296-C300 PolarHBondContact O-N 3.45Å; L297-C300 PolarHBondContact O-N 3.41Å; W298-C300 PolarHBondContact O-N 3.46Å; W298-C300 VanDerWaalsContact O-N 3.16Å; C300-R302 PolarHBondContact O-N 3.32Å; C300-Y303 HydrophobicContact CB-CD2 3.95Å; C300-Y303 PolarHBondContact O-N 3.44Å; C300-R304 PolarHBondContact O-N 2.92Å |
| 301 | D | 83.3 | Confident | 88.3 | Confident | 99 Ų | 99 | 63.5 Ų | 63.5 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -28.8 | 179 | -47.3 | -57.8 | 0 | 0 | 0 | 113.9 | K35 Q241 Y303 | K35-D301 PolarHBondContact NZ-O 2.91Å; Q241-D301 PolarHBondContact NE2-OD2 3.08Å; D301-Y303 VanDerWaalsContact C-N 3.32Å; D301-Y303 PolarHBondContact O-N 2.95Å |
| 302 | R | 82.8 | Confident | 87.9 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 18% | 0.177 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -32.4 | 175.7 | -178.9 | 169.5 | 172 | 162.4 | -17.5 | 113.3 | K35 K40 E43 E234 C300 | K35-R302 WeakPolarHBondContact CD-O 3.22Å; K40-R302 VanDerWaalsContact CD-NH2 3.33Å; E43-R302 IonicContact OE1-CZ 3.52Å; E43-R302 IonicContact OE1-NE 2.71Å; E43-R302 PolarHBondContact OE1-NE 2.81Å; E43-R302 IonicContact OE1-NH2 3.75Å; E43-R302 PolarHBondContact OE1-NH2 2.96Å; E234-R302 IonicContact OE1-CZ 3.77Å; E234-R302 IonicContact OE1-NH1 2.83Å; E234-R302 PolarHBondContact OE1-NH1 2.93Å; E234-R302 IonicContact OE1-NH2 2.87Å; C300-R302 PolarHBondContact O-N 3.32Å |
| 303 | Y | 84 | Confident | 87.3 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -22.1 | -174.9 | -56 | -55 | 0 | 0 | 0 | 113.4 | V32 E43 L46 L245 L297 C300 D301 A305 | V32-Y303 HydrophobicContact CG2-CD1 3.97Å; V32-Y303 HydrophobicContact CG2-CG 4.36Å; E43-Y303 HydrophobicContact CG-CE1 3.7Å; L46-Y303 HydrophobicContact CD1-CE2 4.14Å; L245-Y303 HydrophobicContact CD2-CD2 4.02Å; L245-Y303 HydrophobicContact CD2-CE2 3.66Å; L297-Y303 HydrophobicContact CD2-CD2 3.9Å; L297-Y303 HydrophobicContact CD2-CG 4.17Å; C300-Y303 HydrophobicContact CB-CD2 3.95Å; C300-Y303 PolarHBondContact O-N 3.44Å; D301-Y303 VanDerWaalsContact C-N 3.32Å; D301-Y303 PolarHBondContact O-N 2.95Å; Y303-A305 PolarHBondContact O-N 3.21Å |
| 304 | R | 85.1 | Confident | 86.7 | Confident | 124 Ų | 124 | 69.5 Ų | 69.5 | 47% | 0.468 | 34% | 0.344 | S | S | . | . | trans | -57.8 | 101 | 171.4 | -170.7 | -179.3 | -174.1 | -178.6 | 1.5 | 111.4 | K35 W298 C300 | K35-R304 WeakPolarHBondContact CE-O 3.47Å; K35-R304 PolarHBondContact NZ-O 2.98Å; W298-R304 WeakPolarHBondContact O-CB 3.49Å; C300-R304 PolarHBondContact O-N 2.92Å | ||
| 305 | A | 84.4 | Confident | 86.3 | Confident | 12 Ų | 12 | 72.8 Ų | 72.8 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | trans | -98 | 145.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K35 Y303 V310 | K35-A305 HydrophobicContact CG-CB 4.4Å; Y303-A305 PolarHBondContact O-N 3.21Å; A305-V310 HydrophobicContact CB-CG2 3.78Å | ||
| 306 | D | 84 | Confident | 86 | Confident | 112 Ų | 112 | 71 Ų | 71 | 60% | 0.599 | 35% | 0.353 | S | S | * | . | trans | -78.9 | 146.7 | 173 | -58.8 | -56 | 0 | 0 | 0 | 110.8 | K308 A309 V310 | D306-K308 PolarHBondContact O-N 3.3Å; D306-K308 VanDerWaalsContact O-N 3.15Å; D306-A309 PolarHBondContact O-N 2.91Å; D306-V310 PolarHBondContact O-N 3.19Å; D306-V310 VanDerWaalsContact O-N 3.12Å | ||
| 307 | L | 83.2 | Confident | 85.4 | Confident | 127 Ų | 127 | 75 Ų | 75 | 67% | 0.665 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -54.7 | -36.7 | -178.9 | 179.6 | 61.5 | 0 | 0 | 0 | 112.9 | W27 R311 | W27-L307 HydrophobicContact CH2-CB 4.47Å; W27-L307 HydrophobicContact CH2-CD1 3.55Å; W27-L307 HydrophobicContact CZ3-CD1 3.94Å; L307-R311 WeakPolarHBondContact O-CB 3.46Å; L307-R311 PolarHBondContact O-N 3.12Å |
| 308 | K | 85.1 | Confident | 84.9 | Confident | 146 Ų | 146 | 81 Ų | 81 | 64% | 0.635 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.2 | -46.9 | 175.3 | -179.1 | 172.3 | 173.5 | 176.1 | 0 | 112.1 | D306 V310 R311 E312 | D306-K308 PolarHBondContact O-N 3.3Å; D306-K308 VanDerWaalsContact O-N 3.15Å; K308-V310 PolarHBondContact O-N 3.41Å; K308-R311 PolarHBondContact O-N 2.95Å; K308-E312 WeakPolarHBondContact CE-OE1 3.37Å; K308-E312 HydrophobicContact CG-CG 4.45Å; K308-E312 WeakPolarHBondContact CG-OE1 3.28Å; K308-E312 IonicContact NZ-OE1 3.84Å; K308-E312 WeakPolarHBondContact O-CB 3.39Å; K308-E312 WeakPolarHBondContact O-CG 3.45Å; K308-E312 PolarHBondContact O-N 3.4Å |
| 309 | A | 85.2 | Confident | 84.6 | Confident | 34 Ų | 34 | 77 Ų | 77 | 28% | 0.281 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.6 | -36 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | D306 K313 | D306-A309 PolarHBondContact O-N 2.91Å; A309-K313 WeakPolarHBondContact O-CB 3.37Å; A309-K313 PolarHBondContact O-N 2.87Å |
| 310 | V | 86 | Confident | 83.8 | Confident | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.03 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.4 | -46.9 | 172.7 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | W27 L30 A34 A305 D306 K308 E312 K313 C314 | W27-V310 HydrophobicContact CH2-CB 3.77Å; W27-V310 HydrophobicContact CH2-CG1 3.94Å; W27-V310 HydrophobicContact CH2-CG2 3.74Å; W27-V310 HydrophobicContact CZ2-CB 4.48Å; W27-V310 HydrophobicContact CZ2-CG2 3.94Å; W27-V310 HydrophobicContact CZ3-CB 4.19Å; W27-V310 HydrophobicContact CZ3-CG1 3.82Å; W27-V310 HydrophobicContact CZ3-CG2 4.39Å; L30-V310 HydrophobicContact CB-CG1 3.99Å; A34-V310 HydrophobicContact CB-CG2 3.95Å; A305-V310 HydrophobicContact CB-CG2 3.78Å; D306-V310 PolarHBondContact O-N 3.19Å; D306-V310 VanDerWaalsContact O-N 3.12Å; K308-V310 PolarHBondContact O-N 3.41Å; V310-E312 PolarHBondContact O-N 3.35Å; V310-K313 PolarHBondContact O-N 3.11Å; V310-C314 PolarHBondContact O-N 3.34Å; V310-C314 PolarHBondContact O-SG 3.37Å; V310-C314 VanDerWaalsContact O-SG 3.39Å |
| 311 | R | 85.8 | Confident | 82.6 | Confident | 168 Ų | 168 | 82.8 Ų | 82.8 | 63% | 0.634 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.2 | -48.2 | 177.6 | -178.3 | -176 | 170.6 | 179.7 | -1 | 112.2 | L307 K308 K313 C314 M315 | L307-R311 WeakPolarHBondContact O-CB 3.46Å; L307-R311 PolarHBondContact O-N 3.12Å; K308-R311 PolarHBondContact O-N 2.95Å; R311-K313 VanDerWaalsContact C-N 3.31Å; R311-K313 PolarHBondContact O-N 3.32Å; R311-C314 PolarHBondContact O-N 3.34Å; R311-M315 HydrophobicContact CG-CE 4.05Å; R311-M315 HydrophobicContact CG-CG 4.37Å; R311-M315 HydrophobicContact CG-SD 4.01Å; R311-M315 WeakPolarHBondContact O-CG 3.18Å; R311-M315 PolarHBondContact O-N 3.07Å |
| 312 | E | 87.8 | Confident | 81.4 | Confident | 98 Ų | 98 | 85.8 Ų | 85.8 | 46% | 0.458 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 177.9 | -74.6 | 169.6 | 175.9 | 0 | 0 | 111.8 | K308 V310 M315 A316 | K308-E312 WeakPolarHBondContact CE-OE1 3.37Å; K308-E312 HydrophobicContact CG-CG 4.45Å; K308-E312 WeakPolarHBondContact CG-OE1 3.28Å; K308-E312 IonicContact NZ-OE1 3.84Å; K308-E312 WeakPolarHBondContact O-CB 3.39Å; K308-E312 WeakPolarHBondContact O-CG 3.45Å; K308-E312 PolarHBondContact O-N 3.4Å; V310-E312 PolarHBondContact O-N 3.35Å; E312-M315 HydrophobicContact CG-CE 4.36Å; E312-A316 WeakPolarHBondContact O-CB 3.1Å; E312-A316 PolarHBondContact O-N 2.85Å |
| 313 | K | 82.3 | Confident | 80.1 | Confident | 76 Ų | 76 | 91.2 Ų | 91.2 | 33% | 0.33 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 174.8 | -89.9 | -99.3 | -170.8 | 148.9 | 0 | 113.6 | G33 A34 Q36 A309 V310 R311 A316 L317 | G33-K313 PolarHBondContact O-NZ 3.43Å; A34-K313 HydrophobicContact CB-CB 4.16Å; A34-K313 HydrophobicContact CB-CG 4.07Å; A34-K313 WeakPolarHBondContact O-CE 3.47Å; Q36-K313 PolarHBondContact O-NZ 3.49Å; A309-K313 WeakPolarHBondContact O-CB 3.37Å; A309-K313 PolarHBondContact O-N 2.87Å; V310-K313 PolarHBondContact O-N 3.11Å; R311-K313 VanDerWaalsContact C-N 3.31Å; R311-K313 PolarHBondContact O-N 3.32Å; K313-A316 PolarHBondContact O-N 3.27Å; K313-L317 WeakPolarHBondContact O-CG 3.46Å; K313-L317 PolarHBondContact O-N 3.2Å |
| 314 | C | 83.4 | Confident | 78.4 | Confident | 44 Ų | 44 | 94.8 Ų | 94.8 | 30% | 0.297 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 175.4 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | V310 R311 A316 L317 M318 | V310-C314 PolarHBondContact O-N 3.34Å; V310-C314 PolarHBondContact O-SG 3.37Å; V310-C314 VanDerWaalsContact O-SG 3.39Å; R311-C314 PolarHBondContact O-N 3.34Å; C314-A316 VanDerWaalsContact C-N 3.32Å; C314-A316 PolarHBondContact O-N 2.91Å; C314-L317 PolarHBondContact O-N 3.26Å; C314-M318 PolarHBondContact O-N 3.37Å |
| 315 | M | 85.3 | Confident | 76.6 | Confident | 88 Ų | 88 | 95 Ų | 95 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 174.6 | -67.4 | -177.5 | -45.6 | 0 | 0 | 111.2 | R311 E312 A319 | R311-M315 HydrophobicContact CG-CE 4.05Å; R311-M315 HydrophobicContact CG-CG 4.37Å; R311-M315 HydrophobicContact CG-SD 4.01Å; R311-M315 WeakPolarHBondContact O-CG 3.18Å; R311-M315 PolarHBondContact O-N 3.07Å; E312-M315 HydrophobicContact CG-CE 4.36Å; M315-A319 VanDerWaalsContact O-CB 3.28Å; M315-A319 WeakPolarHBondContact O-CB 3.44Å; M315-A319 PolarHBondContact O-N 2.92Å |
| 316 | A | 85.9 | Confident | 74.8 | Confident | 47 Ų | 47 | 100.8 Ų | 100.8 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E312 K313 C314 A319 N320 | E312-A316 WeakPolarHBondContact O-CB 3.1Å; E312-A316 PolarHBondContact O-N 2.85Å; K313-A316 PolarHBondContact O-N 3.27Å; C314-A316 VanDerWaalsContact C-N 3.32Å; C314-A316 PolarHBondContact O-N 2.91Å; A316-A319 PolarHBondContact O-N 3.43Å; A316-N320 PolarHBondContact O-N 3.36Å; A316-N320 VanDerWaalsContact O-N 3.15Å; A316-N320 PolarHBondContact O-ND2 2.93Å |
| 317 | L | 82.5 | Confident | 72.8 | Confident | 106 Ų | 106 | 104 Ų | 104 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61 | -52.9 | 176.4 | -74.1 | 168.1 | 0 | 0 | 0 | 111.5 | K313 C314 A319 N320 D321 | K313-L317 WeakPolarHBondContact O-CG 3.46Å; K313-L317 PolarHBondContact O-N 3.2Å; C314-L317 PolarHBondContact O-N 3.26Å; L317-A319 PolarHBondContact O-N 3.19Å; L317-N320 PolarHBondContact O-N 3.27Å; L317-D321 PolarHBondContact O-N 2.92Å |
| 318 | M | 80.8 | Confident | 70.6 | Confident | 134 Ų | 134 | 104.3 Ų | 104.3 | 66% | 0.66 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.5 | -28.7 | 179.5 | -59.5 | -166 | -38.6 | 0 | 0 | 112.9 | C314 | C314-M318 PolarHBondContact O-N 3.37Å |
| 319 | A | 83.4 | Confident | 68.1 | Low | 62 Ų | 62 | 102.5 Ų | 102.5 | 51% | 0.512 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -76.8 | -19.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | M315 A316 L317 | M315-A319 VanDerWaalsContact O-CB 3.28Å; M315-A319 WeakPolarHBondContact O-CB 3.44Å; M315-A319 PolarHBondContact O-N 2.92Å; A316-A319 PolarHBondContact O-N 3.43Å; L317-A319 PolarHBondContact O-N 3.19Å |
| 320 | N | 71.4 | Confident | 65.8 | Low | 106 Ų | 106 | 109 Ų | 109 | 57% | 0.567 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -86.6 | -26.5 | 175 | -78.9 | -94.3 | 0 | 0 | 0 | 112.2 | A316 L317 | A316-N320 PolarHBondContact O-N 3.36Å; A316-N320 VanDerWaalsContact O-N 3.15Å; A316-N320 PolarHBondContact O-ND2 2.93Å; L317-N320 PolarHBondContact O-N 3.27Å |
| 321 | D | 62.8 | Low | 63.2 | Low | 102 Ų | 102 | 117.5 Ų | 117.5 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67 | -40.7 | 179.3 | -66.4 | -27.1 | 0 | 0 | 0 | 110.6 | L317 E323 S324 | L317-D321 PolarHBondContact O-N 2.92Å; D321-E323 VanDerWaalsContact C-N 3.31Å; D321-E323 PolarHBondContact O-N 3.31Å; D321-S324 PolarHBondContact O-N 3.45Å; D321-S324 VanDerWaalsContact O-N 3.13Å; D321-S324 PolarHBondContact O-OG 3.11Å |
| 322 | E | 59.1 | Low | 60.6 | Low | 161 Ų | 161 | 112.7 Ų | 112.7 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -28.9 | 179 | -57 | -90.1 | 130.3 | 0 | 0 | 113.8 | S324 | E322-S324 VanDerWaalsContact C-N 3.27Å; E322-S324 PolarHBondContact O-N 3.03Å |
| 323 | E | 54.3 | Low | 57.6 | Low | 162 Ų | 162 | 111.5 Ų | 111.5 | 76% | 0.757 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -0.7 | 179.4 | -162.7 | 169 | -172.7 | 0 | 0 | 112.3 | D321 | D321-E323 VanDerWaalsContact C-N 3.31Å; D321-E323 PolarHBondContact O-N 3.31Å |
| 324 | S | 48.8 | Very low | 54.9 | Low | 76 Ų | 76 | 116 Ų | 116 | 53% | 0.531 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -103.1 | -13.6 | -177.3 | 73.1 | 0 | 0 | 0 | 0 | 115.5 | D321 E322 | D321-S324 PolarHBondContact O-N 3.45Å; D321-S324 VanDerWaalsContact O-N 3.13Å; D321-S324 PolarHBondContact O-OG 3.11Å; E322-S324 VanDerWaalsContact C-N 3.27Å; E322-S324 PolarHBondContact O-N 3.03Å |
| 325 | D | 46.6 | Very low | 52.2 | Low | 129 Ų | 129 | 119.1 Ų | 119.1 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -90.8 | -13.5 | -177.7 | -85.2 | -19.7 | 0 | 0 | 0 | 114.1 | E327 | D325-E327 VanDerWaalsContact C-N 3.33Å; D325-E327 PolarHBondContact O-N 3.41Å |
| 326 | D | 46.7 | Very low | 50.2 | Low | 134 Ų | 134 | 120.1 Ų | 120.1 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -75.2 | -12.5 | -176.3 | -85.8 | -25.2 | 0 | 0 | 0 | 114.8 | T328 | D326-T328 PolarHBondContact O-N 2.85Å; D326-T328 VanDerWaalsContact O-N 3.08Å |
| 327 | E | 42.3 | Very low | 47.3 | Very low | 180 Ų | 180 | 125 Ų | 125 | 84% | 0.841 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 33.6 | -177.4 | -72.2 | -70.9 | 150.5 | 0 | 0 | 113.9 | D325 | D325-E327 VanDerWaalsContact C-N 3.33Å; D325-E327 PolarHBondContact O-N 3.41Å |
| 328 | T | 37.4 | Very low | 44.9 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 82% | 0.816 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.7 | 5.6 | 177.5 | 61.2 | 0 | 0 | 0 | 0 | 117.3 | D326 | D326-T328 PolarHBondContact O-N 2.85Å; D326-T328 VanDerWaalsContact O-N 3.08Å |
| 329 | S | 33.2 | Very low | 42.4 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -112.1 | 80 | 172.1 | 69.6 | 0 | 0 | 0 | 0 | 113.2 | E331 | S329-E331 PolarHBondContact O-N 3.44Š| ||
| 330 | L | 37.1 | Very low | 39.7 | Very low | 171 Ų | 171 | 131 Ų | 131 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | trans | -85.9 | 101.5 | 172.1 | -140.2 | 174.6 | 0 | 0 | 0 | 109.5 | ||||
| 331 | E | 31.4 | Very low | 37.5 | Very low | 184 Ų | 184 | 133.2 Ų | 133.2 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -156.3 | 126.9 | 162.6 | -164.6 | 59.5 | -109.6 | 0 | 0 | 112.3 | S329 | S329-E331 PolarHBondContact O-N 3.44Š| ||
| 332 | G | 30.1 | Very low | 35.7 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | trans | 86.2 | 58.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 333 | G | 25.2 | Very low | 34 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | 91.7 | 135.5 | 120.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 334 | I | 24.9 | Very low | 32.7 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | 86.2 | 125.3 | 151.8 | -47.9 | 174.9 | 0 | 0 | 0 | 118.6 | ||||
| 335 | S | 26.9 | Very low | 31.6 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -144.3 | 168.1 | 159 | -62.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 336 | P | 43.1 | Very low | 30.6 | Very low | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | cis | -133.1 | -163.6 | 2.2 | 40.1 | -20.3 | 0 | 0 | 0 | 114.5 | ||||
| 337 | D | 26 | Very low | 29.6 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 76 | 117.4 | 158.1 | -70.7 | -16.6 | 0 | 0 | 0 | 122.9 | ||||
| 338 | L | 32.1 | Very low | 28.7 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 159.5 | 103.9 | 137 | -85.8 | 159 | 0 | 0 | 0 | 108.8 | ||||
| 339 | V | 27.1 | Very low | 28.2 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | 87.5 | 124 | 77 | 163.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 340 | L | 26.8 | Very low | 27.9 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | 71.8 | 105.3 | 158.2 | -140.9 | 61.8 | 0 | 0 | 0 | 117.7 | ||||
| 341 | E | 25.8 | Very low | 27.4 | Very low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | 69.7 | 105.5 | 78.3 | -166.9 | -149.1 | -127.4 | 0 | 0 | 115.9 | |||||
| 342 | R | 24 | Very low | 27.3 | Very low | 209 Ų | 209 | 139 Ų | 139 | 79% | 0.789 | 79% | 0.787 | S | S | * | * | trans | 175.2 | 111.9 | 133.7 | -104.2 | -169.7 | 150.8 | 73.3 | -1.6 | 110.1 | ||||
| 343 | S | 24.1 | Very low | 27.5 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | 81.4 | 110.3 | 83.4 | 78.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 344 | L | 26.8 | Very low | 28 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -155.8 | 84.3 | 148.4 | -116.2 | 166.2 | 0 | 0 | 0 | 109.5 | ||||
| 345 | D | 25 | Very low | 28.4 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -63.7 | 137.3 | 158.3 | -88.2 | -50.2 | 0 | 0 | 0 | 109.4 | ||||
| 346 | Y | 27.1 | Very low | 28.6 | Very low | 233 Ų | 233 | 144.6 Ų | 144.6 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | trans | -155.2 | 123.7 | 142.3 | -126.6 | -82.3 | 0 | 0 | 0 | 109.9 | ||||
| 347 | G | 24.4 | Very low | 28.1 | Very low | 67 Ų | 67 | 151.1 Ų | 151.1 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | -119.2 | 148.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 348 | Y | 25.2 | Very low | 28.3 | Very low | 238 Ų | 238 | 152.5 Ų | 152.5 | 93% | 0.933 | 81% | 0.806 | S | S | * | * | trans | -162.7 | 131.4 | 159.2 | -152.8 | -91.8 | 0 | 0 | 0 | 105.4 | ||||
| 349 | G | 26.4 | Very low | 28.3 | Very low | 65 Ų | 65 | 149.4 Ų | 149.4 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | cis | 132.1 | 100.3 | 12.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 350 | G | 25.6 | Very low | 28.4 | Very low | 82 Ų | 82 | 153 Ų | 153 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | 162.7 | 112.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 351 | D | 28 | Very low | 28.7 | Very low | 148 Ų | 148 | 157 Ų | 157 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -68 | 143.7 | 178.6 | -62.7 | -73.3 | 0 | 0 | 0 | 113.9 | ||||
| 352 | F | 29.3 | Very low | 28.9 | Very low | 204 Ų | 204 | 158.6 Ų | 158.6 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -153.3 | 81.8 | 145.2 | -110.6 | -73.1 | 0 | 0 | 0 | 110.9 | ||||
| 353 | V | 34.8 | Very low | 29.3 | Very low | 130 Ų | 130 | 156.5 Ų | 156.5 | 79% | 0.788 | 83% | 0.826 | S | S | * | * | trans | -86.2 | 144.1 | 169.5 | 172.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 354 | A | 34.2 | Very low | 29.6 | Very low | 85 Ų | 85 | 158 Ų | 158 | 70% | 0.702 | 84% | 0.837 | S | S | * | * | trans | 66.9 | 80.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 355 | L | 34.3 | Very low | 29.8 | Very low | 164 Ų | 164 | 154.5 Ų | 154.5 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | trans | -148.2 | 64.1 | 159.5 | -155 | 88.7 | 0 | 0 | 0 | 115 | ||||
| 356 | D | 30.7 | Very low | 30.2 | Very low | 157 Ų | 157 | 155 Ų | 155 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -156.7 | 26.7 | 157.5 | -159.5 | 33 | 0 | 0 | 0 | 115 | ||
| 357 | R | 32.2 | Very low | 30.5 | Very low | 247 Ų | 247 | 153.6 Ų | 153.6 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -127.5 | 7.5 | -177.8 | -133.7 | 175.2 | -171.4 | 165.6 | 3.1 | 115.9 | ||
| 358 | M | 30 | Very low | 30.8 | Very low | 178 Ų | 178 | 154.4 Ų | 154.4 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | trans | -121.3 | 43.5 | -178.7 | -64.1 | -157.3 | -69.7 | 0 | 0 | 113.2 | ||||
| 359 | A | 32.8 | Very low | 30.8 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -119.6 | 23.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 360 | K | 29.1 | Very low | 30.8 | Very low | 199 Ų | 199 | 151.6 Ų | 151.6 | 87% | 0.865 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -150.4 | 18.5 | -178.7 | -138 | 176.6 | -174.5 | 177.6 | 0 | 117.2 | ||
| 361 | Y | 32.3 | Very low | 31.4 | Very low | 228 Ų | 228 | 152.7 Ų | 152.7 | 89% | 0.894 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -128.4 | 13.4 | -178.2 | -103.1 | -74.9 | 0 | 0 | 0 | 115.2 | ||
| 362 | E | 31 | Very low | 31.3 | Very low | 187 Ų | 187 | 153.7 Ų | 153.7 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -123.4 | 40.3 | -170.5 | -149 | 170.3 | -136.7 | 0 | 0 | 113.7 | ||
| 363 | I | 32.1 | Very low | 31.1 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -136.8 | 29.3 | 170.8 | -42.5 | -179.6 | 0 | 0 | 0 | 111.1 | ||
| 364 | S | 29.9 | Very low | 30.7 | Very low | 123 Ų | 123 | 153.8 Ų | 153.8 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -148.7 | 20.1 | -178.9 | -55.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 365 | A | 31.8 | Very low | 30.5 | Very low | 93 Ų | 93 | 155.7 Ų | 155.7 | 77% | 0.769 | 84% | 0.835 | S | S | * | * | trans | -120.9 | 48.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 366 | L | 33.9 | Very low | 30.3 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -154.5 | 72.1 | 168.6 | -160 | 78.2 | 0 | 0 | 0 | 113.8 | ||||
| 367 | E | 33.5 | Very low | 30.1 | Very low | 204 Ų | 204 | 159.9 Ų | 159.9 | 95% | 0.953 | 84% | 0.84 | S | S | * | * | trans | -165.5 | 138.1 | 140.7 | -114.9 | 172.5 | 164.2 | 0 | 0 | 110.1 | ||||
| 368 | G | 30 | Very low | 30 | Very low | 84 Ų | 84 | 153.9 Ų | 153.9 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | -127.5 | 138.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 369 | G | 25.2 | Very low | 29.9 | Very low | 77 Ų | 77 | 153.2 Ų | 153.2 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | 174.1 | 115.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 370 | L | 25.9 | Very low | 29.8 | Very low | 167 Ų | 167 | 157.7 Ų | 157.7 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -78 | 175.7 | 174.6 | -95.2 | 81.8 | 0 | 0 | 0 | 111.9 | ||||
| 371 | P | 37.5 | Very low | 29.7 | Very low | 105 Ų | 105 | 156.3 Ų | 156.3 | 68% | 0.682 | 83% | 0.833 | S | S | * | * | cis | -140.1 | -175.1 | -39.5 | 36.8 | -18 | 0 | 0 | 0 | 113.7 | ||||
| 372 | Q | 26.8 | Very low | 29.7 | Very low | 169 Ų | 169 | 152.9 Ų | 152.9 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | trans | 114.2 | 125.5 | 153 | -72.3 | -166 | -3.5 | 0 | 0 | 121.5 | ||||
| 373 | L | 25.6 | Very low | 29.7 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 69% | 0.686 | 83% | 0.826 | S | S | * | * | trans | 84.1 | 134 | 139.1 | -98.8 | 71.6 | 0 | 0 | 0 | 123.2 | ||||
| 374 | Y | 25.6 | Very low | 30 | Very low | 205 Ų | 205 | 150.4 Ų | 150.4 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 72.5 | 126.1 | 170.6 | -80.1 | -84.7 | 0 | 0 | 0 | 120.3 | ||||
| 375 | P | 31.1 | Very low | 30.2 | Very low | 125 Ų | 125 | 151.6 Ų | 151.6 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 120.8 | 177.3 | 32.2 | -32.9 | 0 | 0 | 0 | 111.9 | ||
| 376 | L | 28.8 | Very low | 30.6 | Very low | 174 Ų | 174 | 153.6 Ų | 153.6 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 130 | 168.4 | -96.5 | 153.4 | 0 | 0 | 0 | 110.9 | ||
| 377 | R | 27.4 | Very low | 30.8 | Very low | 235 Ų | 235 | 151 Ų | 151 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 129.4 | -179.6 | -167.9 | -172.4 | -141.5 | 164.5 | 4.2 | 111 | ||
| 378 | P | 29.4 | Very low | 31.1 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 144.8 | 177.8 | 25.6 | -32.8 | 0 | 0 | 0 | 111.9 | ||
| 379 | L | 28.5 | Very low | 31.7 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 139.6 | 177.8 | -171.1 | 67.3 | 0 | 0 | 0 | 111 | E381 | L379-E381 PolarHBondContact O-N 3.25Š|
| 380 | Q | 30.2 | Very low | 31.9 | Very low | 189 Ų | 189 | 151.1 Ų | 151.1 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | -73.4 | 88.4 | -177.2 | -174.4 | 174.3 | 0 | 0 | 0 | 111.2 | ||||
| 381 | E | 27.2 | Very low | 32.5 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -67.6 | 133.4 | 167.8 | -66.7 | -175.9 | 146 | 0 | 0 | 110.4 | L379 K383 | L379-E381 PolarHBondContact O-N 3.25Å; E381-K383 VanDerWaalsContact C-N 3.29Å; E381-K383 PolarHBondContact O-N 2.93Å | ||
| 382 | D | 32.1 | Very low | 32.4 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | -73 | 80.4 | -175.8 | -166.1 | 17.3 | 0 | 0 | 0 | 110.5 | M384 | D382-M384 PolarHBondContact O-N 3.09Š| ||
| 383 | K | 31.3 | Very low | 32.9 | Very low | 178 Ų | 178 | 153.8 Ų | 153.8 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | trans | -70.7 | 95.9 | -171.9 | -162 | 173.8 | -170.8 | 174.5 | 0 | 110.3 | E381 Q385 | E381-K383 VanDerWaalsContact C-N 3.29Å; E381-K383 PolarHBondContact O-N 2.93Å; K383-Q385 PolarHBondContact O-N 2.9Å | ||
| 384 | M | 38.3 | Very low | 33.4 | Very low | 122 Ų | 122 | 159.5 Ų | 159.5 | 60% | 0.601 | 77% | 0.774 | S | S | * | * | trans | -55.8 | 109.9 | 171 | -73.7 | -170 | 175.6 | 0 | 0 | 110.1 | D382 Y386 | D382-M384 PolarHBondContact O-N 3.09Å; M384-Y386 HydrophobicContact CB-CE1 4.37Å; M384-Y386 HydrophobicContact CB-CE2 4.17Å; M384-Y386 VanDerWaalsContact O-CD2 3.23Å; M384-Y386 WeakPolarHBondContact O-CD2 3.41Å; M384-Y386 VanDerWaalsContact O-CE2 3.31Å; M384-Y386 WeakPolarHBondContact O-CE2 3.23Å; M384-Y386 PolarHBondContact O-N 3.05Å | ||
| 385 | Q | 33.9 | Very low | 33.7 | Very low | 147 Ų | 147 | 160.5 Ų | 160.5 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | -79.5 | 98.4 | -179.9 | -155.8 | 85 | 3.2 | 0 | 0 | 109.1 | P215 K383 | P215-Q385 WeakPolarHBondContact CB-O 3.32Å; K383-Q385 PolarHBondContact O-N 2.9Å | ||
| 386 | Y | 40.1 | Very low | 34 | Very low | 136 Ų | 136 | 159.8 Ų | 159.8 | 53% | 0.533 | 78% | 0.78 | S | S | . | * | trans | -74 | 125.8 | 179.8 | -59.9 | -78 | 0 | 0 | 0 | 111.3 | V218 M384 Q388 | V218-Y386 HydrophobicContact CG2-CD1 4.44Å; V218-Y386 HydrophobicContact CG2-CE1 4.5Å; M384-Y386 HydrophobicContact CB-CE1 4.37Å; M384-Y386 HydrophobicContact CB-CE2 4.17Å; M384-Y386 VanDerWaalsContact O-CD2 3.23Å; M384-Y386 WeakPolarHBondContact O-CD2 3.41Å; M384-Y386 VanDerWaalsContact O-CE2 3.31Å; M384-Y386 WeakPolarHBondContact O-CE2 3.23Å; M384-Y386 PolarHBondContact O-N 3.05Å; Y386-Q388 PolarHBondContact O-N 2.84Å | ||
| 387 | L | 37.8 | Very low | 34.2 | Very low | 112 Ų | 112 | 159.6 Ų | 159.6 | 59% | 0.586 | 77% | 0.774 | S | S | * | * | trans | -85 | 89.3 | 171.7 | -154.3 | 109.1 | 0 | 0 | 0 | 109.3 | V389 | L387-V389 HydrophobicContact CD2-CG2 4.48Å; L387-V389 PolarHBondContact O-N 3.32Å | ||
| 388 | Q | 41.5 | Very low | 34.5 | Very low | 174 Ų | 174 | 154.8 Ų | 154.8 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -74 | 107.9 | 179.9 | -150.8 | 172.1 | 18.2 | 0 | 0 | 109.3 | Y386 | Y386-Q388 PolarHBondContact O-N 2.84Š| ||
| 389 | V | 40.7 | Very low | 34.6 | Very low | 102 Ų | 102 | 157.3 Ų | 157.3 | 62% | 0.618 | 77% | 0.773 | S | S | * | * | trans | -81.4 | 123.9 | 178 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | L387 | L387-V389 HydrophobicContact CD2-CG2 4.48Å; L387-V389 PolarHBondContact O-N 3.32Å | ||
| 390 | P | 29.3 | Very low | 34.8 | Very low | 92 Ų | 92 | 153.7 Ų | 153.7 | 60% | 0.597 | 77% | 0.767 | S | S | * | * | trans | -60.6 | 139.1 | -179 | -25.8 | 35.3 | 0 | 0 | 0 | 112.7 | T392 | P390-T392 PolarHBondContact O-N 3.06Š| ||
| 391 | P | 40.2 | Very low | 34.9 | Very low | 137 Ų | 137 | 151.3 Ų | 151.3 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | trans | -79.7 | 62.3 | -178.7 | 34.7 | -36.9 | 0 | 0 | 0 | 111.2 | ||||
| 392 | T | 35.3 | Very low | 35.1 | Very low | 114 Ų | 114 | 150.4 Ų | 150.4 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | -130.3 | 114.9 | 176.9 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | P390 | P390-T392 PolarHBondContact O-N 3.06Š| ||
| 393 | R | 37.5 | Very low | 35.2 | Very low | 246 Ų | 246 | 153.8 Ų | 153.8 | 93% | 0.928 | 77% | 0.767 | S | S | * | * | trans | 79.8 | 67.1 | 163 | -149.3 | -179.1 | -156.3 | 178 | 6.6 | 117.9 | ||||
| 394 | R | 35.4 | Very low | 35.1 | Very low | 251 Ų | 251 | 149.7 Ų | 149.7 | 95% | 0.947 | 77% | 0.767 | S | S | * | * | trans | -136.9 | 66.9 | 147.1 | -72 | -163.7 | -179.2 | -158.5 | 0 | 112 | ||||
| 395 | F | 32.6 | Very low | 34.6 | Very low | 225 Ų | 225 | 148.1 Ų | 148.1 | 99% | 0.987 | 77% | 0.773 | S | S | * | * | trans | -98.2 | 98.6 | 152 | -91 | -78.8 | 0 | 0 | 0 | 107.2 | ||||
| 396 | S | 37 | Very low | 34.5 | Very low | 110 Ų | 110 | 148 Ų | 148 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -170 | 122.9 | 165.8 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 397 | H | 33.5 | Very low | 34.1 | Very low | 170 Ų | 170 | 147 Ų | 147 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 58.3 | 83.8 | 172.8 | -104.4 | -73.7 | 0 | 0 | 0 | 117.5 | ||
| 398 | D | 33.3 | Very low | 33.6 | Very low | 135 Ų | 135 | 149.6 Ų | 149.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | 166 | 112.1 | 104.1 | -85.8 | -12.5 | 0 | 0 | 0 | 108.3 | |||||
| 399 | D | 31.9 | Very low | 33 | Very low | 173 Ų | 173 | 147 Ų | 147 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | 170.2 | 80.8 | 155.3 | -88.9 | -22.7 | 0 | 0 | 0 | 106.8 | ||||
| 400 | A | 31.1 | Very low | 32.7 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -80.8 | 158 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 401 | D | 32.8 | Very low | 32.8 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 74% | 0.738 | 82% | 0.824 | S | S | * | * | trans | 75 | 66.6 | 171.4 | -52 | -29.2 | 0 | 0 | 0 | 118.2 | ||||
| 402 | V | 32.6 | Very low | 32.4 | Very low | 151 Ų | 151 | 153.6 Ų | 153.6 | 92% | 0.915 | 83% | 0.826 | S | S | * | * | trans | -127.7 | 123.8 | 137.2 | -179 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 403 | W | 33 | Very low | 32.5 | Very low | 227 Ų | 227 | 153.8 Ų | 153.8 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -79.8 | 139.3 | -169.1 | -80.7 | 75 | 0 | 0 | 0 | 114.4 | ||||
| 404 | A | 29.4 | Very low | 32.1 | Very low | 92 Ų | 92 | 153.3 Ų | 153.3 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | trans | -12.9 | 133.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 405 | A | 28.6 | Very low | 32 | Very low | 90 Ų | 90 | 153.5 Ų | 153.5 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | -164.8 | 156 | 124.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 406 | V | 30.2 | Very low | 31.8 | Very low | 143 Ų | 143 | 146 Ų | 146 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 79.6 | 139.3 | 164.6 | -170.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 407 | P | 32.5 | Very low | 31.5 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | -115.9 | 167.8 | -124.9 | 35.3 | -24.1 | 0 | 0 | 0 | 117.7 | |||||
| 408 | L | 26.4 | Very low | 31.4 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -67.6 | 133.4 | 178.6 | -68.4 | 105.8 | 0 | 0 | 0 | 113.7 | ||||
| 409 | P | 30.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -78.2 | 128 | 156 | -8.5 | 26.4 | 0 | 0 | 0 | 110.2 | F411 | P409-F411 PolarHBondContact O-N 3.31Š| ||
| 410 | A | 33.4 | Very low | 31.7 | Very low | 91 Ų | 91 | 142.4 Ų | 142.4 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -81.2 | 108.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 411 | F | 32.1 | Very low | 31.9 | Very low | 202 Ų | 202 | 146.9 Ų | 146.9 | 89% | 0.886 | 82% | 0.821 | S | S | * | * | trans | -149.6 | 93.4 | 156.1 | -81.6 | -69.4 | 0 | 0 | 0 | 111 | P409 | P409-F411 PolarHBondContact O-N 3.31Š| ||
| 412 | L | 32.3 | Very low | 32.1 | Very low | 176 Ų | 176 | 145 Ų | 145 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -108.4 | 113.2 | 170.1 | -84.8 | 170.9 | 0 | 0 | 0 | 110.4 | R414 | L412-R414 PolarHBondContact O-N 3.38Š| ||
| 413 | P | 37.1 | Very low | 32.3 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | trans | -77.8 | 105.1 | 161 | 16.1 | -3.7 | 0 | 0 | 0 | 109.3 | W415 | P413-W415 PolarHBondContact O-N 3.2Š| ||
| 414 | R | 29 | Very low | 32.3 | Very low | 237 Ų | 237 | 139.1 Ų | 139.1 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | trans | -35.1 | 120.4 | 165.9 | 176.7 | -172.3 | -172.4 | 179.3 | 3.1 | 113.1 | L412 | L412-R414 PolarHBondContact O-N 3.38Š| ||
| 415 | W | 31.8 | Very low | 32.5 | Very low | 255 Ų | 255 | 138.6 Ų | 138.6 | 97% | 0.966 | 81% | 0.812 | S | S | * | * | trans | -113.7 | 139 | 157.9 | -105.5 | 44.7 | 0 | 0 | 0 | 109.8 | P413 | P413-W415 PolarHBondContact O-N 3.2Š| ||
| 416 | G | 28.5 | Very low | 32.5 | Very low | 68 Ų | 68 | 143.2 Ų | 143.2 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | -91.3 | 160.6 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 417 | S | 31.7 | Very low | 32.7 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -63.2 | 154.5 | 160.6 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 418 | G | 31.2 | Very low | 32.5 | Very low | 62 Ų | 62 | 146.4 Ų | 146.4 | 64% | 0.639 | 82% | 0.819 | S | S | * | * | trans | 134 | 101.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 419 | E | 38.6 | Very low | 32.9 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | cis | 45.9 | 61.9 | 38.8 | -65.1 | -170.3 | 175 | 0 | 0 | 111.2 | ||||
| 420 | D | 33.2 | Very low | 33.4 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | 179.6 | 89.2 | 144.1 | -95.3 | -26.5 | 0 | 0 | 0 | 111.7 | ||||
| 421 | L | 35.9 | Very low | 33.2 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | trans | -140.5 | 25.8 | 159.4 | -141.2 | 88.1 | 0 | 0 | 0 | 112.8 | ||||
| 422 | A | 35.5 | Very low | 33 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -93.6 | 3.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 423 | A | 37.3 | Very low | 33.2 | Very low | 84 Ų | 84 | 137.7 Ų | 137.7 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | trans | -110.4 | 47.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 424 | L | 33.4 | Very low | 32.9 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -153.6 | 128.3 | 166.3 | -111.8 | 150.9 | 0 | 0 | 0 | 112.2 | ||
| 425 | A | 33.8 | Very low | 32.9 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | 75.7 | 35.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | L427 | A425-L427 PolarHBondContact O-N 3.25Š| ||
| 426 | H | 28.8 | Very low | 32.8 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -74.5 | 39.8 | 148.2 | -100.4 | -62.4 | 0 | 0 | 0 | 112.3 | ||||
| 427 | L | 33.3 | Very low | 33.1 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -81.7 | 123 | 175.3 | -99.2 | 159.3 | 0 | 0 | 0 | 109.2 | A425 | A425-L427 PolarHBondContact O-N 3.25Š| ||
| 428 | M | 28 | Very low | 32.8 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 86% | 0.862 | 77% | 0.768 | S | S | * | * | trans | 107.1 | 85.4 | 176.9 | -57.3 | -71.4 | 174.2 | 0 | 0 | 115.1 | ||||
| 429 | L | 35.9 | Very low | 32.7 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | -122.3 | 146.9 | 147.6 | -92 | 95.5 | 0 | 0 | 0 | 108.2 | ||||
| 430 | P | 39.8 | Very low | 32.2 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | -141 | 170.9 | 102.8 | 42 | -29.3 | 0 | 0 | 0 | 111.5 | |||||
| 431 | A | 29.6 | Very low | 31.9 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | cis | -152.4 | 168 | 6.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 432 | G | 28.3 | Very low | 31.5 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | 133 | 122.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 433 | P | 37.6 | Very low | 31.1 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -114 | -174.6 | -162.4 | 42.8 | -36.1 | 0 | 0 | 0 | 116.3 | ||||
| 434 | E | 29.9 | Very low | 30.6 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | trans | 89.6 | 132.9 | 169.3 | -61.9 | -94.1 | 119.1 | 0 | 0 | 116.3 | ||||
| 435 | R | 29.4 | Very low | 30.4 | Very low | 162 Ų | 162 | 137 Ų | 137 | 61% | 0.611 | 76% | 0.76 | S | S | * | * | cis | -166.8 | 141.2 | -16.2 | -138.6 | -170.6 | -162.4 | 145.1 | -9.2 | 111.8 | ||||
| 436 | R | 30.2 | Very low | 30.1 | Very low | 166 Ų | 166 | 141 Ų | 141 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | trans | 61.2 | 117.8 | 147 | -81.9 | 174 | -164 | -163.3 | 2.9 | 119.4 | ||||
| 437 | R | 32.9 | Very low | 30.1 | Very low | 210 Ų | 210 | 135.9 Ų | 135.9 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | 78.6 | 141.3 | 92.7 | -78.6 | -175.6 | -167.3 | 169.6 | -0.4 | 113.3 | |||||
| 438 | A | 26.3 | Very low | 30.9 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 65% | 0.653 | 76% | 0.759 | S | S | * | * | cis | -164 | 165.4 | -6.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 439 | S | 28.9 | Very low | 31.9 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | 31 | 150.2 | 126.3 | -53 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 440 | L | 28.9 | Very low | 31.5 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | cis | -171.4 | 154.8 | -3.8 | -104.9 | 166 | 0 | 0 | 0 | 107.4 | ||||
| 441 | L | 27.2 | Very low | 30.9 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | 53 | 142.1 | 144.6 | -73.4 | 166.6 | 0 | 0 | 0 | 124.5 | ||||
| 442 | A | 27.2 | Very low | 30.9 | Very low | 84 Ų | 84 | 135.3 Ų | 135.3 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | trans | 101.5 | 117.5 | 132.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 443 | F | 26 | Very low | 31 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | trans | 60 | 120.4 | 130.9 | -88.3 | -98.7 | 0 | 0 | 0 | 124.4 | ||||
| 444 | A | 27.5 | Very low | 30.7 | Very low | 88 Ų | 88 | 146.6 Ų | 146.6 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | 77.7 | 151.8 | 128.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 445 | E | 29.8 | Very low | 30.8 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -40.8 | 147.3 | 179.1 | -64.1 | 158.2 | 117.3 | 0 | 0 | 114.6 | ||||
| 446 | D | 26.2 | Very low | 30.7 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | -167 | 177.4 | 63 | -132.2 | -36.9 | 0 | 0 | 0 | 113.2 | |||||
| 447 | A | 29.3 | Very low | 30.7 | Very low | 80 Ų | 80 | 142.6 Ų | 142.6 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | trans | -100.3 | -157.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 448 | P | 50.9 | Low | 30.6 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | -106.2 | -134.4 | -66.9 | 29.3 | -10 | 0 | 0 | 0 | 109.2 | |||||
| 449 | P | 47.3 | Very low | 30.6 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | -136.7 | -163.1 | -20 | 43.8 | -24.6 | 0 | 0 | 0 | 115.6 | ||||
| 450 | S | 27.6 | Very low | 30.6 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 84.2 | 150.6 | 159.7 | 84.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 451 | R | 27.2 | Very low | 30.5 | Very low | 246 Ų | 246 | 145.5 Ų | 145.5 | 93% | 0.928 | 78% | 0.783 | S | S | * | * | cis | 175.3 | 114.8 | -33.1 | -138.6 | -174.6 | -171 | 175.1 | 4 | 107.2 | ||||
| 452 | A | 30 | Very low | 30.5 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -178.2 | 145.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 453 | R | 30 | Very low | 30.5 | Very low | 227 Ų | 227 | 147 Ų | 147 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | cis | -167.1 | 125.8 | -11.3 | 179.4 | 175.6 | -150.5 | -170.1 | 8.2 | 109.1 | ||||
| 454 | R | 32.8 | Very low | 30.6 | Very low | 208 Ų | 208 | 147.8 Ų | 147.8 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 36.5 | 144.3 | 137.8 | -95.8 | 177.6 | -167 | -109.8 | 9.6 | 119.9 | ||||
| 455 | R | 30.3 | Very low | 31.2 | Very low | 215 Ų | 215 | 148.2 Ų | 148.2 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | cis | -150.9 | 147.4 | 32.5 | -66.1 | -177.4 | 170.4 | 122.9 | -8 | 108.1 | ||||
| 456 | S | 27.8 | Very low | 31.1 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | 58.4 | 133.1 | 57.3 | 80.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 457 | A | 31.5 | Very low | 31.2 | Very low | 68 Ų | 68 | 141.3 Ų | 141.3 | 56% | 0.562 | 77% | 0.77 | S | S | * | * | cis | -162.2 | 169 | 15.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 458 | E | 29.8 | Very low | 31.2 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | 54.9 | 150.6 | 129.6 | -73.1 | 157.9 | -151.6 | 0 | 0 | 122 | |||||
| 459 | S | 27.2 | Very low | 30.1 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | cis | -173.2 | -179.7 | -9.2 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 460 | L | 28 | Very low | 29.2 | Very low | 144 Ų | 144 | 145.6 Ų | 145.6 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 81.8 | 101.8 | 157.6 | -53 | -177.6 | 0 | 0 | 0 | 122.8 | ||||
| 461 | L | 27.9 | Very low | 29.2 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | 31.7 | 127.9 | 117.9 | -59.4 | 169.7 | 0 | 0 | 0 | 121.4 | |||||
| 462 | S | 26.4 | Very low | 29.2 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | 149.9 | 162.8 | 97.1 | -152.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 463 | L | 27.1 | Very low | 29.2 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | 85.2 | 118.6 | 155.9 | -71.7 | 153.5 | 0 | 0 | 0 | 123.4 | ||||
| 464 | R | 27.4 | Very low | 29.1 | Very low | 217 Ų | 217 | 142.7 Ų | 142.7 | 82% | 0.819 | 76% | 0.761 | S | S | * | * | trans | -82.7 | -175.1 | 153.2 | -140 | -169 | 152.5 | 160.3 | -3.9 | 108 | ||||
| 465 | P | 41.1 | Very low | 28.8 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | cis | -149 | 175 | -0.7 | 44.5 | -24.4 | 0 | 0 | 0 | 120.4 | ||||
| 466 | S | 27.7 | Very low | 28.6 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 73.2 | 157 | 137 | -76 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 467 | A | 27.4 | Very low | 28.6 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | 74.8 | 152 | 158 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 468 | L | 29.2 | Very low | 28.5 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | cis | -166.4 | 161.1 | -28.7 | -163.1 | 89.9 | 0 | 0 | 0 | 107.1 | ||||
| 469 | D | 28.5 | Very low | 30 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | 88.7 | 138.5 | 142.2 | -134.6 | -6.9 | 0 | 0 | 0 | 124.4 | ||||
| 470 | S | 28.8 | Very low | 31 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 69.1 | 153.9 | 145.6 | 79.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 471 | G | 26.6 | Very low | 31 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 141.9 | 49.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 472 | L | 28.1 | Very low | 31.2 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -39.1 | 154.6 | 166.3 | -165.6 | 79.2 | 0 | 0 | 0 | 116.9 | ||||
| 473 | R | 30.3 | Very low | 32.3 | Very low | 198 Ų | 198 | 129.9 Ų | 129.9 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | trans | 94.9 | 153.2 | 161.1 | -55.1 | 177.9 | -163.5 | -157.4 | 2.6 | 116.5 | ||||
| 474 | R | 27.4 | Very low | 32.6 | Very low | 203 Ų | 203 | 133.3 Ų | 133.3 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | cis | -174 | 133.7 | -21.2 | 166.3 | -176 | -74.4 | 166.1 | -7.2 | 109 | ||||
| 475 | A | 26.3 | Very low | 32.7 | Very low | 81 Ų | 81 | 135 Ų | 135 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | 42 | 142.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 476 | C | 26.8 | Very low | 32.3 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | 65.8 | 134.3 | 147.6 | -65.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 477 | D | 26.9 | Very low | 32.9 | Very low | 154 Ų | 154 | 143 Ų | 143 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | cis | -160 | 175.1 | 49.3 | -92.5 | -47.1 | 0 | 0 | 0 | 114.3 | ||||
| 478 | S | 30.4 | Very low | 33 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -140.5 | -174.5 | 171.5 | -53.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 479 | P | 59.6 | Low | 34 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | cis | -106.9 | -99.3 | -18.2 | 29.7 | -7.4 | 0 | 0 | 0 | 109 | ||||
| 480 | P | 49 | Very low | 34 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | cis | -94.9 | -170 | -24 | 41.7 | -32.3 | 0 | 0 | 0 | 111.5 | ||||
| 481 | G | 28.5 | Very low | 34.6 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | cis | -165.5 | 174.6 | -4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 482 | S | 32.3 | Very low | 34.7 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -122.6 | 167.8 | -178.8 | 69.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 483 | P | 49.1 | Very low | 34.6 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | -148.8 | 166.9 | 95.2 | 36.4 | -17.5 | 0 | 0 | 0 | 118.2 | |||||
| 484 | R | 32.3 | Very low | 34.5 | Very low | 239 Ų | 239 | 139.4 Ų | 139.4 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -47.3 | 152.2 | -179.5 | -63.6 | 166.6 | 164.4 | 170.2 | -6.1 | 118.5 | ||||
| 485 | R | 29.4 | Very low | 34.6 | Very low | 253 Ų | 253 | 134.8 Ų | 134.8 | 96% | 0.955 | 81% | 0.81 | S | S | * | * | -165.6 | 152 | 110.4 | -102.9 | 179.2 | -169.2 | -152.4 | 4.1 | 113.7 | |||||
| 486 | R | 34.5 | Very low | 34.8 | Very low | 240 Ų | 240 | 135.5 Ų | 135.5 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -110.5 | 167 | 163.3 | -97.5 | -173.8 | -176.7 | -175.3 | 2.4 | 106.9 | ||||
| 487 | P | 39.5 | Very low | 34.7 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | cis | -151.3 | 179 | 37.9 | 43.4 | -22.9 | 0 | 0 | 0 | 118.8 | ||||
| 488 | G | 30.3 | Very low | 34.8 | Very low | 73 Ų | 73 | 136.3 Ų | 136.3 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | 99.5 | 151.5 | 144.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 489 | P | 48.9 | Very low | 34.8 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -125.9 | 142.7 | -162.3 | 37.2 | -19.4 | 0 | 0 | 0 | 118.4 | ||||
| 490 | G | 29.4 | Very low | 33.8 | Very low | 77 Ų | 77 | 137.2 Ų | 137.2 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 76.8 | 171.6 | 161 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 491 | P | 41.2 | Very low | 33.1 | Very low | 119 Ų | 119 | 138 Ų | 138 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | cis | -135.8 | 173.1 | -11 | 42.4 | -26.3 | 0 | 0 | 0 | 116 | ||||
| 492 | R | 27.7 | Very low | 33.2 | Very low | 233 Ų | 233 | 137.6 Ų | 137.6 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | 66.1 | 137.9 | 150.9 | -78.8 | 180 | 179.9 | 173.3 | 0.3 | 123.7 | ||||
| 493 | S | 27.7 | Very low | 33.1 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | 93.4 | 114.1 | 142.6 | -66.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 494 | A | 27.9 | Very low | 32.1 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 53.4 | 147.4 | 130.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 495 | S | 28.8 | Very low | 31.8 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | cis | -159.5 | 162.1 | 27.3 | -45.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 496 | A | 29.6 | Very low | 31.9 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | 53.5 | 143.4 | 143.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 497 | S | 26.1 | Very low | 31.6 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -175.3 | 149.1 | -5 | 45.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 498 | L | 28.4 | Very low | 31.1 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 94% | 0.937 | 79% | 0.786 | S | S | * | * | trans | -176.5 | 129.8 | 136.6 | -98.1 | 161.1 | 0 | 0 | 0 | 110.4 | ||||
| 499 | L | 30.4 | Very low | 31 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | trans | -103.4 | -175.6 | 177.9 | -91.9 | 165.9 | 0 | 0 | 0 | 109.7 | D501 | L499-D501 HydrophobicContact CD2-CB 4.47Š| ||
| 500 | P | 39.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | cis | -122.6 | 155.9 | 5 | 16.9 | 9.4 | 0 | 0 | 0 | 114.8 | ||||
| 501 | D | 32.7 | Very low | 30.2 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | 60.3 | 139.2 | 72.9 | -79.6 | -17.2 | 0 | 0 | 0 | 114.8 | L499 | L499-D501 HydrophobicContact CD2-CB 4.47Š| |||
| 502 | A | 30.8 | Very low | 29.6 | Very low | 69 Ų | 69 | 133 Ų | 133 | 57% | 0.57 | 78% | 0.775 | S | S | * | * | cis | -151.5 | -177.4 | 23.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 503 | F | 30.3 | Very low | 29.8 | Very low | 201 Ų | 201 | 129.5 Ų | 129.5 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | cis | -147.6 | 152.3 | 22.5 | -90.3 | -82.7 | 0 | 0 | 0 | 113.4 | ||||
| 504 | A | 28.1 | Very low | 29.9 | Very low | 88 Ų | 88 | 128.6 Ų | 128.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -130.5 | 153.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 505 | L | 27.4 | Very low | 30 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | -124.1 | 84.7 | -179.1 | -82.8 | 170.2 | 0 | 0 | 0 | 112.3 | ||||
| 506 | T | 30.6 | Very low | 30.2 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -147.3 | 90.8 | 164.7 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 507 | A | 27.9 | Very low | 30.4 | Very low | 90 Ų | 90 | 145.4 Ų | 145.4 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 166.7 | 109.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 508 | F | 29 | Very low | 31.2 | Very low | 186 Ų | 186 | 145.9 Ų | 145.9 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -159.2 | 133.1 | 159.3 | -91.5 | -81.4 | 0 | 0 | 0 | 105.6 | ||||
| 509 | E | 29.7 | Very low | 31.6 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | cis | -157.8 | 148 | -1.1 | -153.6 | 167.9 | -153.7 | 0 | 0 | 109.7 | ||||
| 510 | C | 29.7 | Very low | 32.1 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -90.5 | 150.4 | 162.6 | -86.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 511 | E | 30.3 | Very low | 32.3 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | -45.8 | 127.7 | 177.9 | -177.7 | -169.4 | 151.9 | 0 | 0 | 115 | Q513 | E511-Q513 HydrophobicContact CG-CG 4.22Å; E511-Q513 PolarHBondContact O-N 3.33Å; E511-Q513 WeakPolarHBondContact OE1-CG 3.3Å; E511-Q513 PolarHBondContact OE1-NE2 2.95Å | ||
| 512 | P | 29.9 | Very low | 32.5 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -89.1 | 96.7 | 167.9 | 32.7 | -31 | 0 | 0 | 0 | 111.8 | A514 | P512-A514 PolarHBondContact O-N 2.63Å; P512-A514 VanDerWaalsContact O-N 3.16Å | ||
| 513 | Q | 31.3 | Very low | 32.8 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -76.8 | 89.5 | 166.1 | -69.2 | -173.5 | 2 | 0 | 0 | 111.6 | E511 | E511-Q513 HydrophobicContact CG-CG 4.22Å; E511-Q513 PolarHBondContact O-N 3.33Å; E511-Q513 WeakPolarHBondContact OE1-CG 3.3Å; E511-Q513 PolarHBondContact OE1-NE2 2.95Å | ||
| 514 | A | 28.6 | Very low | 33.2 | Very low | 88 Ų | 88 | 139.7 Ų | 139.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -157.9 | 72 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115 | P512 | P512-A514 PolarHBondContact O-N 2.63Å; P512-A514 VanDerWaalsContact O-N 3.16Å | ||
| 515 | L | 31.7 | Very low | 33.6 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | -147.6 | 43.1 | 154.6 | -114.5 | 171.4 | 0 | 0 | 0 | 112.6 | ||||
| 516 | R | 32.6 | Very low | 34 | Very low | 244 Ų | 244 | 137.5 Ų | 137.5 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 118.9 | 161.3 | -87.6 | -175.7 | 173.6 | 158 | -0.4 | 109.2 | ||
| 517 | R | 33.6 | Very low | 34 | Very low | 229 Ų | 229 | 135.6 Ų | 135.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 143.1 | 158.3 | -76.3 | -177.2 | 172.5 | 93.5 | -1.6 | 108.7 | ||
| 518 | P | 41.8 | Very low | 34.3 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 140.4 | 163.5 | 29.1 | -33.1 | 0 | 0 | 0 | 108.8 | G520 | P518-G520 PolarHBondContact O-N 2.61Š|
| 519 | P | 37.7 | Very low | 34.8 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 128 | 161.9 | 28.4 | -31.3 | 0 | 0 | 0 | 107.9 | ||
| 520 | G | 40.6 | Very low | 34.8 | Very low | 53 Ų | 53 | 136.1 Ų | 136.1 | 55% | 0.546 | 79% | 0.79 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 162.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P518 F522 | P518-G520 PolarHBondContact O-N 2.61Å; G520-F522 PolarHBondContact O-N 3.01Å |
| 521 | P | 43.2 | Very low | 34.8 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55 | 129.8 | 173.4 | -21.9 | 32.9 | 0 | 0 | 0 | 110.1 | ||
| 522 | F | 37.8 | Very low | 35 | Very low | 191 Ų | 191 | 133 Ų | 133 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 133.7 | 171.4 | -75.5 | -88.2 | 0 | 0 | 0 | 109.1 | G520 A524 | G520-F522 PolarHBondContact O-N 3.01Å; F522-A524 PolarHBondContact O-N 2.87Å |
| 523 | P | 37.7 | Very low | 35.2 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 138.2 | 170.7 | 27.2 | -33 | 0 | 0 | 0 | 109.2 | A525 | P523-A525 PolarHBondContact O-N 3.28Š|
| 524 | A | 37.4 | Very low | 36 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F522 | F522-A524 PolarHBondContact O-N 2.87Š|
| 525 | A | 37.3 | Very low | 36 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 138 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | P523 | P523-A525 PolarHBondContact O-N 3.28Š|
| 526 | P | 35.8 | Very low | 36.1 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69 | 134 | 179.4 | 28.1 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 527 | A | 31.3 | Very low | 36.2 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73 | 143.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 528 | I | 32.7 | Very low | 36.8 | Very low | 160 Ų | 160 | 120.7 Ų | 120.7 | 82% | 0.821 | 78% | 0.784 | S | S | * | * | trans | -127.9 | 138.5 | 161.9 | -68.1 | -175.7 | 0 | 0 | 0 | 106 | ||||
| 529 | P | 39.8 | Very low | 36.5 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -95.6 | 176.4 | -146.5 | 37.6 | -38.2 | 0 | 0 | 0 | 115.7 | ||||
| 530 | D | 30 | Very low | 37.5 | Very low | 162 Ų | 162 | 121.3 Ų | 121.3 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -48.2 | 152.8 | 176.2 | -70.8 | -61.2 | 0 | 0 | 0 | 116.1 | ||||
| 531 | G | 30.3 | Very low | 37.7 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -146.3 | 48.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 532 | T | 32.9 | Very low | 37 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 42 | 108.8 | 153.9 | 53.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 533 | D | 34.1 | Very low | 36.6 | Very low | 154 Ų | 154 | 119.8 Ų | 119.8 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -24.5 | 167.4 | 134.4 | -94.6 | -21.1 | 0 | 0 | 0 | 117 | ||||
| 534 | P | 49.3 | Very low | 36.3 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | cis | -147.5 | 173.6 | 32.1 | 40.9 | -20.7 | 0 | 0 | 0 | 119.5 | ||||
| 535 | G | 29.3 | Very low | 35.9 | Very low | 72 Ų | 72 | 122.6 Ų | 122.6 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 123.7 | 125.1 | 152 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 536 | E | 32.5 | Very low | 35.5 | Very low | 197 Ų | 197 | 130 Ų | 130 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | cis | -158.9 | 147.4 | 1 | -170.7 | 174.9 | 158.3 | 0 | 0 | 108 | ||||
| 537 | A | 35.1 | Very low | 35.5 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | -121.3 | 152.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 538 | P | 45.5 | Very low | 36 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | -141.8 | 127.4 | 110.4 | 30.8 | -14.5 | 0 | 0 | 0 | 116 | |||||
| 539 | T | 36 | Very low | 35.9 | Very low | 129 Ų | 129 | 126 Ų | 126 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 21.3 | 143.7 | 142.3 | 51.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 540 | P | 58.8 | Low | 35.8 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -85.7 | -172.1 | 169.5 | 43.7 | -39.7 | 0 | 0 | 0 | 111.3 | ||||
| 541 | P | 45 | Very low | 36.1 | Very low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | -157.1 | -170.4 | 84.6 | 42.1 | -21.7 | 0 | 0 | 0 | 116.3 | |||||
| 542 | S | 29.1 | Very low | 37.3 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | 103.4 | 156.9 | 146 | 82.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 543 | S | 29.8 | Very low | 37.1 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -130.6 | 152.4 | -151.4 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 544 | A | 30.6 | Very low | 36.8 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 69.2 | 158.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 545 | Q | 29.9 | Very low | 35.9 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | 84.6 | 96.5 | 147.9 | -154.6 | 175.2 | 44.9 | 0 | 0 | 119 | ||||
| 546 | R | 27.4 | Very low | 36.8 | Very low | 245 Ų | 245 | 132.1 Ų | 132.1 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | -163.9 | 113.3 | 121.6 | -107.4 | 171 | -165.2 | -178.8 | 5.5 | 112.6 | |||||
| 547 | S | 36.9 | Very low | 36.6 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -76.8 | 165 | 142.8 | -47.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 548 | P | 41.4 | Very low | 36.6 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | -140.6 | 167.3 | 80.4 | 36.7 | -20.8 | 0 | 0 | 0 | 114.4 | |||||
| 549 | G | 31 | Very low | 35.7 | Very low | 63 Ų | 63 | 129.9 Ų | 129.9 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | trans | -73 | -170.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 550 | P | 37.6 | Very low | 35.4 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | -142.6 | 157.8 | 72.9 | 40 | -24.8 | 0 | 0 | 0 | 116.2 | |||||
| 551 | R | 36.9 | Very low | 34 | Very low | 234 Ų | 234 | 135.9 Ų | 135.9 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -88.9 | -152.4 | 153 | -54.6 | 175 | 161.6 | 174.6 | -6.3 | 107.6 | ||||
| 552 | P | 53.5 | Low | 33.3 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | cis | -130.6 | 176.5 | -32.2 | 27.6 | -6.8 | 0 | 0 | 0 | 113.1 | ||||
| 553 | A | 29.4 | Very low | 33.6 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -179.9 | 147 | 134.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 554 | A | 28.7 | Very low | 33.4 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | cis | -154.8 | 152.7 | -25.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 555 | H | 30.2 | Very low | 33.3 | Very low | 184 Ų | 184 | 143 Ų | 143 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | -76.1 | -165.6 | 170.6 | -77 | -70 | 0 | 0 | 0 | 111.5 | ||||
| 556 | P | 47.7 | Very low | 33.1 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 63% | 0.63 | 81% | 0.807 | S | S | * | * | -129.4 | -165.3 | -55.3 | 35.6 | -19.8 | 0 | 0 | 0 | 110.3 | |||||
| 557 | H | 28.6 | Very low | 33.3 | Very low | 182 Ų | 182 | 132 Ų | 132 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | -164 | 137.2 | 111.6 | -106.3 | 62 | 0 | 0 | 0 | 112.5 | |||||
| 558 | A | 34.2 | Very low | 32.7 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -94.3 | 145.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 559 | G | 27.1 | Very low | 32.2 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -141.3 | 88.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 560 | F | 30 | Very low | 32.1 | Very low | 212 Ų | 212 | 138.4 Ų | 138.4 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -58.5 | 133.4 | 150.3 | -109.2 | -106.6 | 0 | 0 | 0 | 107.6 | ||||
| 561 | L | 28.4 | Very low | 31.9 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -173.9 | 122.7 | 138.7 | -103.6 | 164.7 | 0 | 0 | 0 | 111.4 | ||||
| 562 | R | 31.2 | Very low | 32.2 | Very low | 237 Ų | 237 | 136.2 Ų | 136.2 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -105.1 | 128.2 | 155.5 | -166.3 | -174.4 | -166.9 | -174.7 | 4.8 | 105.6 | ||||
| 563 | P | 34.3 | Very low | 30.9 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -129 | 164.3 | 140.4 | 24.2 | -7 | 0 | 0 | 0 | 111.5 | ||||
| 564 | G | 25.8 | Very low | 30.9 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | -85.7 | 156.2 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 565 | L | 28.7 | Very low | 30.9 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -125.2 | 115.4 | 142.2 | -69.3 | 164.6 | 0 | 0 | 0 | 103.8 | ||||
| 566 | S | 25.9 | Very low | 30.9 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | 57.1 | 74 | 56.5 | 84.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 567 | A | 31.5 | Very low | 30 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -123.2 | 86.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 568 | S | 25.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 121.3 | 169.4 | 49 | 0 | 0 | 0 | 0 | 109.8 | ||
| 569 | W | 31.1 | Very low | 29.7 | Very low | 247 Ų | 247 | 138.9 Ų | 138.9 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 116.7 | 154.9 | -77.9 | 96.7 | 0 | 0 | 0 | 107.6 | ||
| 570 | G | 28.1 | Very low | 29.7 | Very low | 70 Ų | 70 | 139.5 Ų | 139.5 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 138.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 571 | E | 34.2 | Very low | 29.6 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 149.6 | 133.3 | -84.3 | -159.7 | 99.2 | 0 | 0 | 107.9 | ||
| 572 | P | 42.1 | Very low | 29.5 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | -149.6 | 152.4 | 87.2 | 37.3 | -18.9 | 0 | 0 | 0 | 117.2 | |||||
| 573 | G | 27.3 | Very low | 29.3 | Very low | 70 Ų | 70 | 123.8 Ų | 123.8 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 126 | 113.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 574 | G | 28.3 | Very low | 29 | Very low | 69 Ų | 69 | 124.8 Ų | 124.8 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | cis | 110.2 | 111.8 | 7.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 575 | L | 29.5 | Very low | 29.1 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -177 | 138.2 | 157 | -104 | 156.2 | 0 | 0 | 0 | 113.4 | ||||
| 576 | R | 29.2 | Very low | 29.1 | Very low | 222 Ų | 222 | 123.9 Ų | 123.9 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | 82.3 | 89.3 | 155.2 | -63.3 | -175.8 | 179.8 | -167.7 | -1.2 | 121.8 | ||||
| 577 | T | 29.6 | Very low | 29.1 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | -18.5 | 136.5 | 123.7 | 37.8 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 578 | E | 29.7 | Very low | 28.9 | Very low | 203 Ų | 203 | 130 Ų | 130 | 95% | 0.949 | 82% | 0.818 | S | S | * | * | -158.6 | 154.4 | 121.6 | -99.9 | -175.8 | 170.2 | 0 | 0 | 107.2 | |||||
| 579 | G | 26.8 | Very low | 29 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | cis | 155.6 | 90.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 580 | G | 26.6 | Very low | 29 | Very low | 88 Ų | 88 | 123.2 Ų | 123.2 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | 96.5 | 152.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 581 | G | 27.6 | Very low | 29.8 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | cis | 139.8 | 135.4 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 582 | G | 25.9 | Very low | 29.4 | Very low | 83 Ų | 83 | 121.3 Ų | 121.3 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | 121.6 | 132.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 583 | S | 28.7 | Very low | 28.8 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -112.4 | 176.3 | -173.3 | -61.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 584 | T | 27.8 | Very low | 28.8 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | 82 | 117.5 | 156.6 | 69.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 585 | S | 27.4 | Very low | 28.9 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | -167 | 152.3 | 102.4 | 39.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 586 | S | 28.3 | Very low | 28.8 | Very low | 89 Ų | 89 | 124.2 Ų | 124.2 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | trans | -112.5 | 166.4 | -176.1 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 587 | F | 26.6 | Very low | 28.6 | Very low | 181 Ų | 181 | 125 Ų | 125 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | 167.8 | 115.2 | 135 | -79.2 | -50.5 | 0 | 0 | 0 | 108.9 | ||||
| 588 | L | 27.4 | Very low | 28.5 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | 62.6 | 132.9 | 100 | -63.8 | -178.5 | 0 | 0 | 0 | 114.2 | |||||
| 589 | S | 26.8 | Very low | 28.4 | Very low | 97 Ų | 97 | 118.8 Ų | 118.8 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | cis | -156.6 | 131.5 | 26.7 | -36 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 590 | T | 30.9 | Very low | 28.4 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | 64.8 | 162.7 | 97 | 70.7 | 0 | 0 | 0 | 0 | 118 | |||||
| 591 | P | 44.3 | Very low | 28.4 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | -136.6 | -175 | -71.5 | 41.8 | -23.9 | 0 | 0 | 0 | 113.5 | |||||
| 592 | S | 26.8 | Very low | 28.5 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | 173.7 | 132.5 | 127.4 | -96.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 593 | E | 29.9 | Very low | 28.6 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | 55 | 141.2 | 142.3 | -60.2 | -178.3 | 143.2 | 0 | 0 | 120.8 | ||||
| 594 | S | 27 | Very low | 28.8 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | cis | -150.3 | 167.5 | 3.4 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 595 | S | 29.1 | Very low | 29 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -124.4 | 147.2 | -176.9 | 169 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 596 | G | 28.4 | Very low | 29.1 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 179.3 | 103.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 597 | Y | 25.1 | Very low | 29.2 | Very low | 238 Ų | 238 | 132.3 Ų | 132.3 | 93% | 0.933 | 79% | 0.792 | S | S | * | * | trans | -73.9 | 150.9 | 161.6 | -85.9 | -116.1 | 0 | 0 | 0 | 110.8 | ||||
| 598 | A | 27.9 | Very low | 29.3 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | 163.1 | 109 | 123.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 599 | T | 26.7 | Very low | 29.4 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | 22.9 | 132.2 | 129.1 | 49.6 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 600 | L | 26.7 | Very low | 29.6 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 78% | 0.78 | 83% | 0.829 | S | S | * | * | trans | 90.1 | 117.5 | 135.3 | -69.7 | 165.8 | 0 | 0 | 0 | 121.4 | ||||
| 601 | H | 27.3 | Very low | 29.5 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 83% | 0.829 | 83% | 0.832 | S | S | * | * | trans | 56.6 | 122.7 | 141.7 | -89.7 | -96.3 | 0 | 0 | 0 | 121.7 | ||||
| 602 | S | 28.9 | Very low | 28.7 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 84% | 0.837 | S | S | * | * | trans | -56.6 | 143.9 | 160.6 | -38.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 603 | D | 29.1 | Very low | 28.8 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 90% | 0.904 | 85% | 0.845 | S | S | * | * | -150 | 163.2 | 127.9 | -111.3 | -29.6 | 0 | 0 | 0 | 112.6 | |||||
| 604 | S | 31.9 | Very low | 28.7 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 84% | 0.844 | S | S | * | * | trans | -43.5 | 144.3 | -161 | -166.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 605 | L | 32.3 | Very low | 28.8 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 88% | 0.88 | 84% | 0.844 | S | S | * | * | trans | -55.3 | 142.1 | 156.1 | -73.8 | 155.9 | 0 | 0 | 0 | 111.6 | ||||
| 606 | G | 28.8 | Very low | 28.8 | Very low | 77 Ų | 77 | 135.1 Ų | 135.1 | 79% | 0.794 | 85% | 0.848 | S | S | * | * | trans | -136.8 | 124.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 607 | S | 32.3 | Very low | 28.8 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | trans | -89.1 | 159.6 | -169.9 | -59.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 608 | A | 28.4 | Very low | 29.1 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | trans | 70.4 | 141.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 609 | S | 29.4 | Very low | 29.3 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 100% | 1.322 | 86% | 0.859 | S | S | * | * | cis | -145.3 | 0 | 11.6 | 58.6 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 609 of 609 residues in 2423.6 ms
(Link to these results)