| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 28.9 | Very low | 53.7 | Low | 152 Ų | 152 | 58.2 Ų | 58.2 | 75% | 0.749 | 31% | 0.31 | S | S | * | . | 0 | -50.1 | 0 | -71.8 | -172.5 | -179.1 | 0 | 0 | 113.7 | N3 A4 P481 D483 | M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 3.44Å; M1-N3 VanDerWaalsContact O-N 3.11Å; M1-A4 PolarHBondContact O-N 3.2Å; M1-P481 HydrophobicContact CE-CB 4.28Å; M1-P481 HydrophobicContact CE-CG 4.3Å; M1-D483 WeakPolarHBondContact CE-OD2 3.5Å | |||
| 2 | I | 31.3 | Very low | 56.5 | Low | 142 Ų | 142 | 64.9 Ų | 64.9 | 73% | 0.728 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -45.7 | -48.1 | -174 | -62.3 | 174.7 | 0 | 0 | 0 | 113.3 | A4 F5 S6 | I2-A4 PolarHBondContact O-N 3.2Å; I2-F5 PolarHBondContact O-N 3.07Å; I2-S6 PolarHBondContact O-N 2.78Å; I2-S6 PolarHBondContact O-OG 2.82Å |
| 3 | N | 35 | Very low | 59.1 | Low | 96 Ų | 96 | 62.1 Ų | 62.1 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.1 | -17.2 | -178.4 | -52.9 | 38.1 | 0 | 0 | 0 | 115.5 | M1 S6 M360 | M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 3.44Å; M1-N3 VanDerWaalsContact O-N 3.11Å; N3-S6 WeakPolarHBondContact CA-OG 3.28Å; N3-S6 PolarHBondContact O-OG 2.8Å; N3-M360 HydrophobicContact CB-CE 4.34Å; N3-M360 HydrophobicContact CB-SD 3.69Å; N3-M360 PolarHBondContact ND2-SD 3.16Å; N3-M360 VanDerWaalsContact ND2-SD 3.43Å |
| 4 | A | 43 | Very low | 61.5 | Low | 38 Ų | 38 | 57.6 Ų | 57.6 | 31% | 0.314 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -90.2 | -34 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 I2 L8 Y476 | M1-A4 PolarHBondContact O-N 3.2Å; I2-A4 PolarHBondContact O-N 3.2Å; A4-L8 WeakPolarHBondContact O-CD1 3.5Å; A4-L8 WeakPolarHBondContact O-CG 3.32Å; A4-Y476 HydrophobicContact CB-CD1 4.48Å |
| 5 | F | 42.6 | Very low | 63.7 | Low | 99 Ų | 99 | 55.4 Ų | 55.4 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -82.5 | -19.5 | 178.6 | -79.5 | -77.4 | 0 | 0 | 0 | 113.1 | I2 N555 | I2-F5 PolarHBondContact O-N 3.07Å; F5-N555 PolarHBondContact O-ND2 2.87Å |
| 6 | S | 42.3 | Very low | 65.4 | Low | 18 Ų | 18 | 51.9 Ų | 51.9 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -74.5 | -23.3 | -173.1 | 47.5 | 0 | 0 | 0 | 0 | 115.2 | I2 N3 R364 | I2-S6 PolarHBondContact O-N 2.78Å; I2-S6 PolarHBondContact O-OG 2.82Å; N3-S6 WeakPolarHBondContact CA-OG 3.28Å; N3-S6 PolarHBondContact O-OG 2.8Å; S6-R364 WeakPolarHBondContact O-CG 3.41Å; S6-R364 PolarHBondContact O-NE 2.91Å |
| 7 | S | 51.3 | Low | 66.8 | Low | 29 Ų | 29 | 51.3 Ų | 51.3 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | trans | -121.6 | 14.9 | -162.5 | 53 | 0 | 0 | 0 | 0 | 115.6 | L9 D363 | S7-L9 PolarHBondContact O-N 3.04Å; S7-D363 WeakPolarHBondContact CB-OD2 3.41Å | ||
| 8 | L | 64.1 | Low | 68 | Low | 24 Ų | 24 | 52.7 Ų | 52.7 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | trans | -80.6 | 53.1 | -172.4 | -62.2 | 166.1 | 0 | 0 | 0 | 113.9 | A4 Y476 L477 N555 | A4-L8 WeakPolarHBondContact O-CD1 3.5Å; A4-L8 WeakPolarHBondContact O-CG 3.32Å; L8-Y476 HydrophobicContact CD2-CD2 4.04Å; L8-Y476 HydrophobicContact CD2-CG 4.11Å; L8-L477 HydrophobicContact CB-CD2 3.82Å; L8-L477 HydrophobicContact CB-CG 4.45Å; L8-L477 HydrophobicContact CD1-CD2 3.59Å; L8-L477 HydrophobicContact CD1-CG 4.18Å; L8-L477 HydrophobicContact CG-CD2 4.27Å; L8-N555 HydrophobicContact CB-CB 4.04Å; L8-N555 PolarHBondContact O-N 3.05Å | ||
| 9 | L | 82 | Confident | 69.4 | Low | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | trans | -104.3 | 110.5 | 159.3 | -154.4 | 85 | 0 | 0 | 0 | 108.3 | S7 K11 I335 D365 A554 | S7-L9 PolarHBondContact O-N 3.04Å; L9-K11 HydrophobicContact CD2-CD 4.2Å; L9-K11 HydrophobicContact CD2-CG 4.13Å; L9-K11 PolarHBondContact O-N 3.12Å; L9-I335 HydrophobicContact CD1-CB 4.32Å; L9-I335 HydrophobicContact CD1-CG1 3.99Å; L9-I335 HydrophobicContact CD1-CG2 4.32Å; L9-D365 WeakPolarHBondContact CD2-O 3.4Å; L9-A554 HydrophobicContact CD1-CB 3.98Å | ||
| 10 | P | 83.5 | Confident | 70.4 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 8% | 0.078 | 25% | 0.254 | C | S | . | . | trans | -76.6 | 57.6 | -167.1 | 30.4 | -36.7 | 0 | 0 | 0 | 114.6 | Q13 M473 P551 M578 | P10-Q13 VanDerWaalsContact CA-OE1 3.3Å; P10-Q13 VanDerWaalsContact CB-OE1 3.29Å; P10-Q13 PolarHBondContact O-OE1 3.03Å; P10-M473 HydrophobicContact CB-SD 4.5Å; P10-P551 HydrophobicContact CB-CB 3.88Å; P10-P551 HydrophobicContact CB-CG 3.91Å; P10-P551 HydrophobicContact CG-CB 3.32Å; P10-P551 HydrophobicContact CG-CG 3.82Å; P10-M578 HydrophobicContact CG-CE 4.17Å; P10-M578 WeakPolarHBondContact O-CE 3.38Å | ||
| 11 | K | 86.7 | Confident | 71.3 | Confident | 20 Ų | 20 | 53 Ų | 53 | 9% | 0.087 | 27% | 0.274 | C | S | . | . | trans | -61.2 | -40.5 | 179.5 | -73.2 | 176.6 | -75.3 | -160.5 | 0 | 112.8 | L9 Q13 I14 N15 S16 C362 D363 D365 V367 | L9-K11 HydrophobicContact CD2-CD 4.2Å; L9-K11 HydrophobicContact CD2-CG 4.13Å; L9-K11 PolarHBondContact O-N 3.12Å; K11-Q13 VanDerWaalsContact C-N 3.26Å; K11-Q13 PolarHBondContact O-N 3.03Å; K11-I14 VanDerWaalsContact O-CG1 3.24Å; K11-I14 WeakPolarHBondContact O-CG1 3.32Å; K11-I14 PolarHBondContact O-N 3.41Å; K11-I14 VanDerWaalsContact O-N 3.14Å; K11-N15 PolarHBondContact O-N 3.33Å; K11-S16 WeakPolarHBondContact CB-OG 3.45Å; K11-S16 PolarHBondContact O-N 3.32Å; K11-S16 PolarHBondContact O-OG 3.32Å; K11-C362 PolarHBondContact NZ-O 2.99Å; K11-D363 WeakPolarHBondContact CE-O 3.49Å; K11-D363 PolarHBondContact NZ-O 2.81Å; K11-D365 WeakPolarHBondContact CE-O 3.14Å; K11-D365 PolarHBondContact NZ-O 3.42Å; K11-V367 HydrophobicContact CG-CG2 4.38Å | ||
| 12 | K | 87.7 | Confident | 74.1 | Confident | 139 Ų | 139 | 51.4 Ų | 51.4 | 60% | 0.604 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -57.3 | -37.3 | -175.9 | -52.4 | -162.2 | 171.6 | 177.7 | 0 | 113.1 | I14 N15 D17 | K12-I14 PolarHBondContact O-N 3.37Å; K12-N15 PolarHBondContact O-N 3.28Å; K12-D17 WeakPolarHBondContact CA-OD1 3.4Å; K12-D17 WeakPolarHBondContact CG-OD2 3.39Å |
| 13 | Q | 90 | Very high | 76.8 | Confident | 28 Ų | 28 | 48 Ų | 48 | 13% | 0.131 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -67.3 | -24.4 | -175.8 | -70 | 73.9 | 9.7 | 0 | 0 | 112.4 | P10 K11 F470 D472 P551 L632 Q634 | P10-Q13 VanDerWaalsContact CA-OE1 3.3Å; P10-Q13 VanDerWaalsContact CB-OE1 3.29Å; P10-Q13 PolarHBondContact O-OE1 3.03Å; K11-Q13 VanDerWaalsContact C-N 3.26Å; K11-Q13 PolarHBondContact O-N 3.03Å; Q13-F470 HydrophobicContact CB-CD1 4.35Å; Q13-F470 HydrophobicContact CB-CE1 4.07Å; Q13-F470 HydrophobicContact CB-CE2 4.41Å; Q13-F470 HydrophobicContact CB-CZ 4.11Å; Q13-F470 HydrophobicContact CG-CB 4.4Å; Q13-F470 HydrophobicContact CG-CD1 3.56Å; Q13-F470 HydrophobicContact CG-CD2 4.15Å; Q13-F470 HydrophobicContact CG-CE1 3.79Å; Q13-F470 HydrophobicContact CG-CE2 4.36Å; Q13-F470 HydrophobicContact CG-CG 3.78Å; Q13-F470 HydrophobicContact CG-CZ 4.19Å; Q13-D472 PolarHBondContact NE2-OD2 3.45Å; Q13-P551 HydrophobicContact CB-CG 3.95Å; Q13-L632 VanDerWaalsContact O-CD2 3.24Å; Q13-L632 WeakPolarHBondContact O-CD2 3.43Å; Q13-Q634 PolarHBondContact O-NE2 3.42Å |
| 14 | I | 93.5 | Very high | 79.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -104.8 | 7.6 | 176.9 | 62.3 | 165.4 | 0 | 0 | 0 | 113.7 | K11 K12 S16 V367 M578 L632 M633 V635 | K11-I14 VanDerWaalsContact O-CG1 3.24Å; K11-I14 WeakPolarHBondContact O-CG1 3.32Å; K11-I14 PolarHBondContact O-N 3.41Å; K11-I14 VanDerWaalsContact O-N 3.14Å; K12-I14 PolarHBondContact O-N 3.37Å; I14-S16 PolarHBondContact O-N 3.24Å; I14-V367 HydrophobicContact CD1-CG1 3.86Å; I14-V367 HydrophobicContact CD1-CG2 4.2Å; I14-M578 HydrophobicContact CD1-CE 3.66Å; I14-M578 HydrophobicContact CD1-SD 4.45Å; I14-M578 HydrophobicContact CG1-CE 3.87Å; I14-M578 HydrophobicContact CG2-CE 4.1Å; I14-L632 HydrophobicContact CG2-CD1 4.04Å; I14-M633 WeakPolarHBondContact CA-O 3.31Å; I14-M633 HydrophobicContact CG2-CB 4.3Å; I14-V635 HydrophobicContact CD1-CG2 4.33Å; I14-V635 WeakPolarHBondContact O-CG2 3.37Å; I14-V635 PolarHBondContact O-N 3.3Å |
| 15 | N | 93.4 | Very high | 81.1 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 22.5 | -176.3 | -47.9 | -15.1 | 0 | 0 | 0 | 114.3 | K11 K12 D17 I18 F19 Q634 D636 | K11-N15 PolarHBondContact O-N 3.33Å; K12-N15 PolarHBondContact O-N 3.28Å; N15-D17 VanDerWaalsContact C-N 3.33Å; N15-I18 HydrophobicContact CB-CB 4.37Å; N15-I18 HydrophobicContact CB-CD1 4.15Å; N15-I18 PolarHBondContact O-N 3.29Å; N15-F19 PolarHBondContact O-N 3.14Å; N15-Q634 VanDerWaalsContact ND2-CD 3.26Å; N15-Q634 PolarHBondContact ND2-OE1 3.27Å; N15-D636 WeakPolarHBondContact CB-OD1 3.07Å; N15-D636 PolarHBondContact ND2-OD1 3.32Å |
| 16 | S | 92 | Very high | 83.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72 | -29.3 | -179.6 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | K11 I14 L20 | K11-S16 WeakPolarHBondContact CB-OG 3.45Å; K11-S16 PolarHBondContact O-N 3.32Å; K11-S16 PolarHBondContact O-OG 3.32Å; I14-S16 PolarHBondContact O-N 3.24Å; S16-L20 WeakPolarHBondContact O-CB 3.43Å; S16-L20 WeakPolarHBondContact O-CD1 3.49Å; S16-L20 WeakPolarHBondContact O-CG 3.45Å; S16-L20 PolarHBondContact O-N 3.37Å |
| 17 | D | 88.2 | Confident | 85.7 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 170.8 | 62.3 | -34 | 0 | 0 | 0 | 112 | K12 N15 L20 N21 | K12-D17 WeakPolarHBondContact CA-OD1 3.4Å; K12-D17 WeakPolarHBondContact CG-OD2 3.39Å; N15-D17 VanDerWaalsContact C-N 3.33Å; D17-L20 PolarHBondContact O-N 3.43Å; D17-N21 PolarHBondContact O-N 2.97Å; D17-N21 PolarHBondContact O-ND2 3.05Å; D17-N21 VanDerWaalsContact O-ND2 3.08Å |
| 18 | I | 89.7 | Confident | 87.7 | Confident | 76 Ų | 76 | 46.8 Ų | 46.8 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.7 | -50.4 | 174.5 | -58 | 176.9 | 0 | 0 | 0 | 109.9 | N15 L20 N21 D22 | N15-I18 HydrophobicContact CB-CB 4.37Å; N15-I18 HydrophobicContact CB-CD1 4.15Å; N15-I18 PolarHBondContact O-N 3.29Å; I18-L20 VanDerWaalsContact C-N 3.31Å; I18-L20 PolarHBondContact O-N 3.26Å; I18-N21 PolarHBondContact O-N 3.31Å; I18-N21 VanDerWaalsContact O-N 3.13Å; I18-D22 PolarHBondContact O-N 3.11Å |
| 19 | F | 93.2 | Very high | 88.9 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.6 | -41.7 | 176.4 | 179.9 | -86.9 | 0 | 0 | 0 | 112.7 | N15 H23 C26 L585 V635 F639 | N15-F19 PolarHBondContact O-N 3.14Å; F19-H23 HydrophobicContact CE1-CB 4.35Å; F19-H23 AromaticContact CE2-CD2 3.64Å; F19-H23 HydrophobicContact CZ-CB 4.38Å; F19-H23 AromaticContact CZ-CD2 4Å; F19-H23 WeakPolarHBondContact O-CA 3.37Å; F19-H23 WeakPolarHBondContact O-CB 3.49Å; F19-H23 PolarHBondContact O-N 3.33Å; F19-C26 HydrophobicContact CE1-CB 3.95Å; F19-C26 HydrophobicContact CZ-CB 4.1Å; F19-L585 HydrophobicContact CD1-CB 3.97Å; F19-L585 HydrophobicContact CD1-CD1 4.02Å; F19-L585 HydrophobicContact CD1-CD2 4.44Å; F19-L585 HydrophobicContact CD1-CG 4.38Å; F19-L585 HydrophobicContact CE1-CB 3.72Å; F19-L585 HydrophobicContact CE1-CD2 4.4Å; F19-L585 HydrophobicContact CE1-CG 4.45Å; F19-L585 HydrophobicContact CZ-CB 4.42Å; F19-V635 HydrophobicContact CB-CG1 3.96Å; F19-V635 HydrophobicContact CD1-CG1 4.2Å; F19-V635 HydrophobicContact CD2-CG1 3.98Å; F19-V635 HydrophobicContact CG-CG1 3.77Å; F19-F639 HydrophobicContact CD2-CB 4.32Å; F19-F639 HydrophobicContact CE2-CB 3.7Å; F19-F639 AromaticContact CE2-CD1 3.74Å; F19-F639 HydrophobicContact CE2-CD1 3.74Å; F19-F639 HydrophobicContact CE2-CD2 4.2Å; F19-F639 HydrophobicContact CE2-CE1 4.41Å; F19-F639 AromaticContact CE2-CG 3.61Å; F19-F639 HydrophobicContact CE2-CG 3.61Å; F19-F639 HydrophobicContact CZ-CG 4.37Å |
| 20 | L | 90.8 | Very high | 89.1 | Confident | 34 Ų | 34 | 49.6 Ų | 49.6 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.2 | -32.6 | 177.4 | -76.5 | 167.7 | 0 | 0 | 0 | 113 | S16 D17 I18 H23 A24 N27 L585 | S16-L20 WeakPolarHBondContact O-CB 3.43Å; S16-L20 WeakPolarHBondContact O-CD1 3.49Å; S16-L20 WeakPolarHBondContact O-CG 3.45Å; S16-L20 PolarHBondContact O-N 3.37Å; D17-L20 PolarHBondContact O-N 3.43Å; I18-L20 VanDerWaalsContact C-N 3.31Å; I18-L20 PolarHBondContact O-N 3.26Å; L20-H23 CarbonylContact O-C 3.57Å; L20-A24 WeakPolarHBondContact O-CA 3.27Å; L20-A24 PolarHBondContact O-N 3.29Å; L20-A24 VanDerWaalsContact O-N 3.08Å; L20-N27 HydrophobicContact CD2-CB 3.82Å; L20-L585 HydrophobicContact CD2-CD2 3.82Å; L20-L585 HydrophobicContact CG-CD1 4.45Å; L20-L585 HydrophobicContact CG-CD2 4.32Å |
| 21 | N | 88 | Confident | 89.5 | Confident | 127 Ų | 127 | 49 Ų | 49 | 68% | 0.679 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -68.8 | -46 | 174.8 | -68.7 | -35.3 | 0 | 0 | 0 | 111.4 | D17 I18 | D17-N21 PolarHBondContact O-N 2.97Å; D17-N21 PolarHBondContact O-ND2 3.05Å; D17-N21 VanDerWaalsContact O-ND2 3.08Å; I18-N21 PolarHBondContact O-N 3.31Å; I18-N21 VanDerWaalsContact O-N 3.13Å |
| 22 | D | 88.4 | Confident | 90 | Very high | 118 Ų | 118 | 50.9 Ų | 50.9 | 63% | 0.631 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -71.8 | -31.1 | 179.4 | -67.5 | -23.7 | 0 | 0 | 0 | 112.3 | I18 | I18-D22 PolarHBondContact O-N 3.11Å |
| 23 | H | 88.7 | Confident | 90.5 | Very high | 72 Ų | 72 | 44.2 Ų | 44.2 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | 56.4 | -172.6 | -59.6 | -21.4 | 0 | 0 | 0 | 112.4 | F19 L20 K25 C26 F639 | F19-H23 HydrophobicContact CE1-CB 4.35Å; F19-H23 AromaticContact CE2-CD2 3.64Å; F19-H23 HydrophobicContact CZ-CB 4.38Å; F19-H23 AromaticContact CZ-CD2 4Å; F19-H23 WeakPolarHBondContact O-CA 3.37Å; F19-H23 WeakPolarHBondContact O-CB 3.49Å; F19-H23 PolarHBondContact O-N 3.33Å; L20-H23 CarbonylContact O-C 3.57Å; H23-K25 PolarHBondContact O-N 3.35Å; H23-C26 HydrophobicContact CB-CB 3.91Å; H23-C26 WeakPolarHBondContact O-CA 3.4Å; H23-C26 WeakPolarHBondContact O-CB 3.44Å; H23-C26 PolarHBondContact O-N 3.37Å; H23-F639 AromaticContact CD2-CE1 3.87Å; H23-F639 AromaticContact NE2-CE1 3.57Å |
| 24 | A | 84.5 | Confident | 90.9 | Very high | 72 Ų | 72 | 42.9 Ų | 42.9 | 60% | 0.595 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -26 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | L20 | L20-A24 WeakPolarHBondContact O-CA 3.27Å; L20-A24 PolarHBondContact O-N 3.29Å; L20-A24 VanDerWaalsContact O-N 3.08Å |
| 25 | K | 83.9 | Confident | 91.1 | Very high | 156 Ų | 156 | 43 Ų | 43 | 68% | 0.678 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -12.4 | 174.8 | -67.5 | -172.4 | 179 | -178.3 | 0 | 114.3 | H23 N27 | H23-K25 PolarHBondContact O-N 3.35Å; K25-N27 VanDerWaalsContact C-N 3.29Å; K25-N27 PolarHBondContact O-N 3.24Å |
| 26 | C | 90.1 | Very high | 91.3 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 7% | 0.068 | 22% | 0.223 | C | C | . | . | trans | -99 | 30.7 | -174.6 | -56 | 0 | 0 | 0 | 0 | 111.7 | F19 H23 G28 L585 | F19-C26 HydrophobicContact CE1-CB 3.95Å; F19-C26 HydrophobicContact CZ-CB 4.1Å; H23-C26 HydrophobicContact CB-CB 3.91Å; H23-C26 WeakPolarHBondContact O-CA 3.4Å; H23-C26 WeakPolarHBondContact O-CB 3.44Å; H23-C26 PolarHBondContact O-N 3.37Å; C26-G28 PolarHBondContact O-N 3.44Å; C26-L585 WeakPolarHBondContact O-CD2 3.49Å | ||
| 27 | N | 91.1 | Very high | 91.5 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.08 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -68.7 | 7.8 | -171.7 | 64 | 6.8 | 0 | 0 | 0 | 115.7 | L20 K25 C29 A368 P369 G370 L585 | L20-N27 HydrophobicContact CD2-CB 3.82Å; K25-N27 VanDerWaalsContact C-N 3.29Å; K25-N27 PolarHBondContact O-N 3.24Å; N27-C29 WeakPolarHBondContact OD1-CB 3.06Å; N27-C29 PolarHBondContact OD1-N 2.8Å; N27-C29 VanDerWaalsContact OD1-N 3.1Å; N27-C29 PolarHBondContact OD1-SG 3.02Å; N27-A368 CarbonylContact O-C 3.57Å; N27-A368 WeakPolarHBondContact O-CA 3.34Å; N27-P369 HydrophobicContact CB-CG 4.39Å; N27-P369 WeakPolarHBondContact O-CD 3.35Å; N27-G370 WeakPolarHBondContact O-CA 3.36Å; N27-G370 PolarHBondContact O-N 3.02Å; N27-G370 WeakPolarHBondContact OD1-CA 3.46Å; N27-L585 VanDerWaalsContact C-CD2 3.44Å |
| 28 | G | 91.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 110.1 | -9.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | C26 T31 G370 A371 S588 | C26-G28 PolarHBondContact O-N 3.44Å; G28-T31 VanDerWaalsContact O-CB 3.28Å; G28-T31 WeakPolarHBondContact O-CB 3.48Å; G28-T31 PolarHBondContact O-N 2.91Å; G28-T31 VanDerWaalsContact O-N 3.12Å; G28-G370 VanDerWaalsContact C-C 3.46Å; G28-A371 WeakPolarHBondContact O-CA 3.11Å; G28-A371 PolarHBondContact O-N 3.29Å; G28-S588 PolarHBondContact N-OG 3Å |
| 29 | C | 89.9 | Confident | 92 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 9% | 0.088 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 150.3 | 177.8 | -80 | 0 | 0 | 0 | 0 | 112.8 | N27 T31 D52 G370 S588 | N27-C29 WeakPolarHBondContact OD1-CB 3.06Å; N27-C29 PolarHBondContact OD1-N 2.8Å; N27-C29 VanDerWaalsContact OD1-N 3.1Å; N27-C29 PolarHBondContact OD1-SG 3.02Å; C29-T31 PolarHBondContact O-N 3.11Å; C29-D52 PolarHBondContact SG-OD1 2.85Å; C29-D52 VanDerWaalsContact SG-OD1 3.35Å; C29-D52 PolarHBondContact SG-OD2 3.34Å; C29-G370 WeakPolarHBondContact SG-CA 3.13Å; C29-G370 PolarHBondContact SG-O 3.07Å; C29-S588 PolarHBondContact N-OG 2.76Å; C29-S588 WeakPolarHBondContact O-CB 3.19Å; C29-S588 PolarHBondContact O-OG 3.29Å |
| 30 | V | 86.6 | Confident | 92.2 | Very high | 80 Ų | 80 | 36.4 Ų | 36.4 | 49% | 0.485 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | -10.4 | -169.5 | -164.1 | 0 | 0 | 0 | 0 | 114.6 | R591 R601 | V30-R591 PolarHBondContact O-NH1 2.93Å; V30-R601 HydrophobicContact CG1-CG 4.2Å; V30-R601 PolarHBondContact O-NH1 2.96Å |
| 31 | T | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | trans | -89.9 | 139.7 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 112.8 | G28 C29 Q372 D405 I406 S584 L587 | G28-T31 VanDerWaalsContact O-CB 3.28Å; G28-T31 WeakPolarHBondContact O-CB 3.48Å; G28-T31 PolarHBondContact O-N 2.91Å; G28-T31 VanDerWaalsContact O-N 3.12Å; C29-T31 PolarHBondContact O-N 3.11Å; T31-Q372 PolarHBondContact O-N 3.01Å; T31-D405 WeakPolarHBondContact CA-OD2 3.35Å; T31-D405 HydrophobicContact CG2-CB 4.11Å; T31-I406 HydrophobicContact CG2-CG2 4.46Å; T31-S584 PolarHBondContact OG1-O 3.42Å; T31-L587 HydrophobicContact CG2-CB 4.49Å; T31-L587 HydrophobicContact CG2-CD1 4.04Å | ||
| 32 | R | 95.6 | Very high | 92.7 | Very high | 58 Ų | 58 | 29 Ų | 29 | 22% | 0.219 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.3 | 172.7 | -78.1 | -178.9 | 175.7 | -177.2 | -1.3 | 112.6 | Q372 L402 D405 I406 | R32-Q372 WeakPolarHBondContact CA-O 3.26Å; R32-Q372 HydrophobicContact CG-CB 4.09Å; R32-L402 PolarHBondContact NH1-O 3.32Å; R32-D405 PolarHBondContact N-OD2 3Å; R32-D405 PolarHBondContact O-N 2.83Å; R32-I406 PolarHBondContact O-N 3.24Å |
| 33 | I | 98.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122.2 | 176.5 | -55.4 | 171.3 | 0 | 0 | 0 | 109.3 | V35 A336 A371 Q372 I373 V374 I406 T580 | I33-V35 HydrophobicContact CG2-CG2 4.1Å; I33-A336 HydrophobicContact CD1-CB 4.23Å; I33-A371 HydrophobicContact CD1-CB 3.69Å; I33-A371 HydrophobicContact CG1-CB 4.18Å; I33-Q372 PolarHBondContact N-O 2.88Å; I33-I373 CarbonylContact O-C 3.54Å; I33-I373 WeakPolarHBondContact O-CA 3.43Å; I33-V374 PolarHBondContact O-N 3.33Å; I33-I406 CarbonylContact C-O 3.59Å; I33-I406 WeakPolarHBondContact CA-O 3.26Å; I33-I406 HydrophobicContact CB-CG2 4.23Å; I33-I406 HydrophobicContact CG1-CG2 3.78Å; I33-I406 HydrophobicContact CG2-CG2 4.39Å; I33-T580 HydrophobicContact CD1-CG2 4.21Å; I33-T580 HydrophobicContact CG1-CG2 4.21Å; I33-T580 HydrophobicContact CG2-CG2 3.64Å |
| 34 | A | 98.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I376 T399 C404 I406 V407 N408 | A34-I376 HydrophobicContact CB-CD1 4.4Å; A34-T399 HydrophobicContact CB-CG2 4.03Å; A34-C404 HydrophobicContact CB-CB 4Å; A34-I406 PolarHBondContact N-O 3.25Å; A34-V407 HydrophobicContact CB-CG2 4.18Å; A34-V407 WeakPolarHBondContact O-CA 3.43Å; A34-N408 PolarHBondContact O-N 2.88Å |
| 35 | V | 98.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 107.2 | 174.1 | 177 | 0 | 0 | 0 | 0 | 107.9 | I33 D37 I40 V332 A333 I373 V374 I376 | I33-V35 HydrophobicContact CG2-CG2 4.1Å; V35-D37 HydrophobicContact CG1-CB 3.93Å; V35-I40 HydrophobicContact CB-CD1 4.05Å; V35-I40 HydrophobicContact CG1-CD1 4.22Å; V35-I40 HydrophobicContact CG2-CD1 4.27Å; V35-V332 HydrophobicContact CG1-CG1 4.07Å; V35-A333 HydrophobicContact CG2-CB 4.23Å; V35-I373 HydrophobicContact CB-CG2 4.45Å; V35-I373 HydrophobicContact CG2-CG2 3.9Å; V35-V374 PolarHBondContact N-O 3.31Å; V35-I376 PolarHBondContact O-N 3.24Å |
| 36 | W | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 98.8 | 175.9 | -66.9 | 20 | 0 | 0 | 0 | 108.5 | I376 I378 L392 A395 I396 T399 V407 N408 Y409 L427 M430 M438 | W36-I376 WeakPolarHBondContact CA-O 3.46Å; W36-I378 HydrophobicContact CB-CD1 4.29Å; W36-I378 HydrophobicContact CB-CG2 4.04Å; W36-I378 HydrophobicContact CG-CG2 4.41Å; W36-L392 HydrophobicContact CE3-CD2 4.44Å; W36-A395 HydrophobicContact CD2-CB 3.67Å; W36-A395 HydrophobicContact CE3-CB 3.82Å; W36-A395 HydrophobicContact CG-CB 4.24Å; W36-A395 HydrophobicContact CH2-CB 4.34Å; W36-A395 HydrophobicContact CZ2-CB 4.11Å; W36-A395 HydrophobicContact CZ3-CB 4.17Å; W36-I396 HydrophobicContact CH2-CB 4.32Å; W36-I396 HydrophobicContact CH2-CG1 3.43Å; W36-I396 VanDerWaalsContact CH2-CG1 3.43Å; W36-I396 HydrophobicContact CZ2-CG1 4.23Å; W36-I396 HydrophobicContact CZ3-CG1 4.12Å; W36-T399 HydrophobicContact CZ2-CG2 4.47Å; W36-T399 WeakPolarHBondContact CZ2-OG1 3.35Å; W36-T399 PolarHBondContact NE1-OG1 2.96Å; W36-V407 HydrophobicContact CD2-CG1 3.77Å; W36-V407 HydrophobicContact CE3-CG1 4.42Å; W36-V407 HydrophobicContact CG-CG1 3.85Å; W36-V407 HydrophobicContact CZ2-CG1 4.07Å; W36-V407 HydrophobicContact CZ2-CG2 3.92Å; W36-N408 PolarHBondContact N-O 3.46Å; W36-Y409 HydrophobicContact CB-CD2 3.8Å; W36-Y409 HydrophobicContact CB-CE2 4.32Å; W36-Y409 HydrophobicContact CD2-CD2 4.24Å; W36-Y409 AromaticContact CE3-CD2 3.59Å; W36-Y409 HydrophobicContact CE3-CD2 3.59Å; W36-Y409 AromaticContact CE3-CE2 3.83Å; W36-Y409 HydrophobicContact CE3-CE2 3.83Å; W36-Y409 HydrophobicContact CG-CD2 4.42Å; W36-Y409 HydrophobicContact CZ3-CD2 4.36Å; W36-L427 HydrophobicContact CH2-CD2 3.91Å; W36-L427 HydrophobicContact CZ3-CD2 3.86Å; W36-M430 HydrophobicContact CH2-CE 3.83Å; W36-M430 HydrophobicContact CH2-SD 3.71Å; W36-M430 HydrophobicContact CZ2-CE 4Å; W36-M430 HydrophobicContact CZ2-SD 3.63Å; W36-M438 HydrophobicContact CZ3-CE 4.15Å |
| 37 | D | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | -154 | -170.9 | -150.7 | -72.9 | 0 | 0 | 0 | 110.9 | V35 G39 H328 G329 I376 K377 I378 S410 | V35-D37 HydrophobicContact CG1-CB 3.93Å; D37-G39 PolarHBondContact O-N 2.78Å; D37-G39 VanDerWaalsContact O-N 3.14Å; D37-H328 VanDerWaalsContact CG-ND1 3.28Å; D37-H328 IonicContact OD1-CE1 2.75Å; D37-H328 IonicContact OD1-CG 3.23Å; D37-H328 IonicContact OD1-ND1 3.13Å; D37-H328 PolarHBondContact OD1-ND1 3.32Å; D37-H328 IonicContact OD2-CE1 2.73Å; D37-H328 PolarHBondContact OD2-CE1 3.13Å; D37-H328 VanDerWaalsContact OD2-CE1 3.32Å; D37-H328 IonicContact OD2-ND1 3.6Å; D37-H328 PolarHBondContact OD2-ND1 2.7Å; D37-G329 VanDerWaalsContact CG-CA 3.43Å; D37-G329 WeakPolarHBondContact OD1-CA 3.46Å; D37-G329 PolarHBondContact OD1-N 3.16Å; D37-I376 PolarHBondContact N-O 3.39Å; D37-I376 VanDerWaalsContact N-O 3.15Å; D37-K377 CarbonylContact O-C 3.58Å; D37-K377 WeakPolarHBondContact O-CA 3.28Å; D37-I378 WeakPolarHBondContact O-CG1 3.44Å; D37-I378 PolarHBondContact O-N 2.92Å; D37-S410 WeakPolarHBondContact OD2-CB 3.26Å |
| 38 | T | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -76.8 | 11 | 179.1 | 64.6 | 0 | 0 | 0 | 0 | 115.1 | N324 N325 S326 H328 G329 S379 F411 | T38-N324 CarbonylContact O-C 3.57Å; T38-N324 VanDerWaalsContact O-CA 3.28Å; T38-N324 WeakPolarHBondContact O-CA 3.37Å; T38-N325 PolarHBondContact O-N 3.34Å; T38-S326 WeakPolarHBondContact OG1-CB 3.31Å; T38-S326 PolarHBondContact OG1-O 3.46Å; T38-H328 HydrophobicContact CG2-CB 4.44Å; T38-G329 PolarHBondContact OG1-N 2.86Å; T38-S379 WeakPolarHBondContact CA-OG 3.42Å; T38-F411 HydrophobicContact CG2-CE2 3.73Å; T38-F411 HydrophobicContact CG2-CZ 4.14Å |
| 39 | G | 94.7 | Very high | 94 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 3% | 0.031 | 11% | 0.107 | C | C | . | . | trans | 82.9 | 158.9 | -168 | 0 | 0 | 0 | 0 | 0 | 113.3 | D37 N324 | D37-G39 PolarHBondContact O-N 2.78Å; D37-G39 VanDerWaalsContact O-N 3.14Å; G39-N324 WeakPolarHBondContact O-CB 3.48Å | ||
| 40 | I | 96.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | trans | -108.2 | 144.6 | -178.2 | -62.2 | 174 | 0 | 0 | 0 | 109.9 | V35 L47 I57 M60 A333 I373 S375 | V35-I40 HydrophobicContact CB-CD1 4.05Å; V35-I40 HydrophobicContact CG1-CD1 4.22Å; V35-I40 HydrophobicContact CG2-CD1 4.27Å; I40-L47 HydrophobicContact CG2-CD1 3.67Å; I40-I57 HydrophobicContact CG2-CD1 3.75Å; I40-M60 WeakPolarHBondContact O-CE 3.43Å; I40-A333 HydrophobicContact CD1-CB 3.41Å; I40-A333 VanDerWaalsContact CD1-CB 3.41Å; I40-A333 HydrophobicContact CG1-CB 3.94Å; I40-I373 HydrophobicContact CD1-CG2 3.5Å; I40-S375 PolarHBondContact N-OG 2.99Å | ||
| 41 | D | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -85.6 | 119.7 | 165.6 | -176.8 | -20.8 | 0 | 0 | 0 | 110.2 | T43 A44 T330 A559 S560 | D41-T43 PolarHBondContact O-N 2.93Å; D41-T43 WeakPolarHBondContact OD1-CA 3.48Å; D41-T43 WeakPolarHBondContact OD1-CB 3.38Å; D41-T43 PolarHBondContact OD1-N 3.2Å; D41-T43 PolarHBondContact OD1-OG1 2.88Å; D41-T43 PolarHBondContact OD2-OG1 2.93Å; D41-A44 HydrophobicContact CB-CB 4.23Å; D41-A44 PolarHBondContact O-N 2.68Å; D41-T330 HydrophobicContact CB-CG2 4.18Å; D41-T330 PolarHBondContact N-OG1 2.85Å; D41-A559 HydrophobicContact CB-CB 3.67Å; D41-A559 WeakPolarHBondContact OD2-CA 3.29Å; D41-S560 PolarHBondContact OD2-N 3.04Å; D41-S560 PolarHBondContact OD2-OG 3.44Å | ||
| 42 | P | 94.2 | Very high | 94.1 | Very high | 6 Ų | 6 | 21.4 Ų | 21.4 | 4% | 0.039 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -13 | -178.2 | 31.2 | -34.9 | 0 | 0 | 0 | 113.7 | Q48 I57 M60 Y297 | P42-Q48 PolarHBondContact O-NE2 3.35Å; P42-I57 HydrophobicContact CB-CD1 4.24Å; P42-M60 HydrophobicContact CB-SD 4.05Å; P42-M60 HydrophobicContact CG-SD 4.21Å; P42-Y297 HydrophobicContact CB-CD1 4.35Å; P42-Y297 HydrophobicContact CG-CD1 4.29Å; P42-Y297 HydrophobicContact CG-CG 4.07Å |
| 43 | T | 92.8 | Very high | 93.8 | Very high | 32 Ų | 32 | 21.2 Ų | 21.2 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -16.7 | 177.7 | 69.8 | 0 | 0 | 0 | 0 | 113.4 | D41 A45 Q48 Y297 Y307 S560 | D41-T43 PolarHBondContact O-N 2.93Å; D41-T43 WeakPolarHBondContact OD1-CA 3.48Å; D41-T43 WeakPolarHBondContact OD1-CB 3.38Å; D41-T43 PolarHBondContact OD1-N 3.2Å; D41-T43 PolarHBondContact OD1-OG1 2.88Å; D41-T43 PolarHBondContact OD2-OG1 2.93Å; T43-A45 PolarHBondContact O-N 3.05Å; T43-Q48 PolarHBondContact O-NE2 3.3Å; T43-Y297 HydrophobicContact CG2-CD2 4.05Å; T43-Y297 HydrophobicContact CG2-CE2 3.57Å; T43-Y307 HydrophobicContact CG2-CD1 3.61Å; T43-Y307 HydrophobicContact CG2-CD2 3.57Å; T43-Y307 HydrophobicContact CG2-CE1 3.78Å; T43-Y307 HydrophobicContact CG2-CE2 3.76Å; T43-Y307 HydrophobicContact CG2-CG 3.5Å; T43-Y307 VanDerWaalsContact CG2-CG 3.5Å; T43-Y307 WeakPolarHBondContact OG1-CD2 3.47Å; T43-Y307 WeakPolarHBondContact OG1-CE2 3.43Å; T43-S560 PolarHBondContact OG1-OG 3.17Å |
| 44 | A | 92.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -61.2 | 131.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D41 G46 L47 Q48 T330 | D41-A44 HydrophobicContact CB-CB 4.23Å; D41-A44 PolarHBondContact O-N 2.68Å; A44-G46 PolarHBondContact O-N 3.37Å; A44-L47 HydrophobicContact CB-CD1 4.34Å; A44-L47 WeakPolarHBondContact O-CB 3.43Å; A44-L47 PolarHBondContact O-N 2.93Å; A44-L47 VanDerWaalsContact O-N 3.16Å; A44-Q48 PolarHBondContact O-NE2 2.86Å; A44-Q48 PolarHBondContact O-OE1 3.22Å; A44-T330 HydrophobicContact CB-CG2 3.28Å |
| 45 | A | 88.2 | Confident | 93.1 | Very high | 50 Ų | 50 | 30.2 Ų | 30.2 | 41% | 0.413 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 131.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T43 F340 S557 | T43-A45 PolarHBondContact O-N 3.05Å; A45-F340 HydrophobicContact CB-CE1 3.9Å; A45-F340 WeakPolarHBondContact O-CE1 3.39Å; A45-F340 VanDerWaalsContact O-CZ 3.31Å; A45-F340 WeakPolarHBondContact O-CZ 3.25Å; A45-S557 WeakPolarHBondContact O-CB 3.38Å; A45-S557 PolarHBondContact O-OG 2.96Å |
| 46 | G | 90 | Very high | 93 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91 | -1.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A44 A338 Y339 | A44-G46 PolarHBondContact O-N 3.37Å; G46-A338 CarbonylContact O-C 3.56Å; G46-A338 WeakPolarHBondContact O-CA 3.22Å; G46-Y339 VanDerWaalsContact CA-O 3.28Å; G46-Y339 WeakPolarHBondContact CA-O 3.4Å; G46-Y339 PolarHBondContact O-N 3.05Å |
| 47 | L | 94.7 | Very high | 93 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | trans | -103 | 16.5 | 179.2 | -61.5 | -175.8 | 0 | 0 | 0 | 114.4 | I40 A44 K56 I57 T330 A333 A334 A338 I373 | I40-L47 HydrophobicContact CG2-CD1 3.67Å; A44-L47 HydrophobicContact CB-CD1 4.34Å; A44-L47 WeakPolarHBondContact O-CB 3.43Å; A44-L47 PolarHBondContact O-N 2.93Å; A44-L47 VanDerWaalsContact O-N 3.16Å; L47-K56 HydrophobicContact CD2-CG 4.49Å; L47-K56 WeakPolarHBondContact O-CB 3.44Å; L47-K56 WeakPolarHBondContact O-CG 3.28Å; L47-I57 HydrophobicContact CB-CD1 4.31Å; L47-T330 HydrophobicContact CD1-CG2 3.94Å; L47-A333 HydrophobicContact CD1-CB 4.21Å; L47-A333 HydrophobicContact CD2-CB 4.45Å; L47-A334 HydrophobicContact CD2-CB 4.43Å; L47-A338 HydrophobicContact CD2-CB 4.31Å; L47-I373 HydrophobicContact CD2-CD1 3.86Å | ||
| 48 | Q | 93.2 | Very high | 92.9 | Very high | 71 Ų | 71 | 31.2 Ų | 31.2 | 33% | 0.332 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -89.9 | -54.9 | -175 | -68.8 | 63.9 | 52.8 | 0 | 0 | 112.9 | P42 T43 A44 K56 | P42-Q48 PolarHBondContact O-NE2 3.35Å; T43-Q48 PolarHBondContact O-NE2 3.3Å; A44-Q48 PolarHBondContact O-NE2 2.86Å; A44-Q48 PolarHBondContact O-OE1 3.22Å; Q48-K56 VanDerWaalsContact C-CB 3.49Å; Q48-K56 WeakPolarHBondContact O-CB 3.46Å; Q48-K56 PolarHBondContact O-N 3.04Å |
| 49 | I | 94.4 | Very high | 93 | Very high | 68 Ų | 68 | 31.2 Ų | 31.2 | 35% | 0.349 | 18% | 0.183 | S | C | . | . | B | Isolated β-bridge | trans | -133.2 | 166.2 | -173.1 | 59.9 | 171.3 | 0 | 0 | 0 | 112.3 | N54 K56 Y339 P341 | I49-N54 CarbonylContact C-O 3.57Å; I49-N54 WeakPolarHBondContact CA-O 3.47Å; I49-K56 WeakPolarHBondContact O-CE 3.32Å; I49-Y339 HydrophobicContact CG1-CD1 4.32Å; I49-P341 HydrophobicContact CD1-CG 3.94Å; I49-P341 HydrophobicContact CG1-CG 4.27Å |
| 50 | T | 93.5 | Very high | 93 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | trans | -96.4 | 165.2 | 167.5 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | D52 G53 N54 Y339 Q372 | T50-D52 PolarHBondContact O-N 2.89Å; T50-G53 PolarHBondContact O-N 3.09Å; T50-N54 PolarHBondContact N-O 3.12Å; T50-N54 WeakPolarHBondContact OG1-CB 3.31Å; T50-N54 PolarHBondContact OG1-N 2.92Å; T50-N54 VanDerWaalsContact OG1-N 3.16Å; T50-N54 PolarHBondContact OG1-O 2.93Å; T50-Y339 VanDerWaalsContact C-CD1 3.45Å; T50-Q372 HydrophobicContact CG2-CG 4.42Å | ||
| 51 | P | 90.2 | Very high | 93 | Very high | 47 Ų | 47 | 31 Ų | 31 | 31% | 0.305 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -36.5 | 169.2 | -30.1 | 35.8 | 0 | 0 | 0 | 113.7 | G53 Y339 P369 | P51-G53 PolarHBondContact O-N 3.48Å; P51-Y339 HydrophobicContact CB-CE1 4.35Å; P51-Y339 HydrophobicContact CB-CE2 4.45Å; P51-Y339 HydrophobicContact CG-CD1 4.1Å; P51-Y339 HydrophobicContact CG-CD2 3.83Å; P51-Y339 HydrophobicContact CG-CE1 4.16Å; P51-Y339 HydrophobicContact CG-CE2 3.91Å; P51-Y339 HydrophobicContact CG-CG 3.93Å; P51-P369 WeakPolarHBondContact CD-O 3.16Å; P51-P369 HydrophobicContact CG-CB 4.34Å |
| 52 | D | 87.8 | Confident | 92.9 | Very high | 99 Ų | 99 | 31 Ų | 31 | 53% | 0.529 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 8.7 | 178.8 | -60.3 | 16.6 | 0 | 0 | 0 | 113.1 | C29 T50 N54 | C29-D52 PolarHBondContact SG-OD1 2.85Å; C29-D52 VanDerWaalsContact SG-OD1 3.35Å; C29-D52 PolarHBondContact SG-OD2 3.34Å; T50-D52 PolarHBondContact O-N 2.89Å; D52-N54 PolarHBondContact O-N 3.39Å; D52-N54 VanDerWaalsContact O-N 3.07Å |
| 53 | G | 88.2 | Confident | 92.9 | Very high | 54 Ų | 54 | 30.8 Ų | 30.8 | 56% | 0.557 | 18% | 0.179 | S | C | * | . | S | Bend | trans | 75.2 | -14.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T50 P51 | T50-G53 PolarHBondContact O-N 3.09Å; P51-G53 PolarHBondContact O-N 3.48Å |
| 54 | N | 91.3 | Very high | 92.7 | Very high | 92 Ų | 92 | 29.3 Ų | 29.3 | 49% | 0.492 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -61.1 | 146.9 | 175.8 | -66.2 | -72.6 | 0 | 0 | 0 | 111.6 | I49 T50 D52 K56 | I49-N54 CarbonylContact C-O 3.57Å; I49-N54 WeakPolarHBondContact CA-O 3.47Å; T50-N54 PolarHBondContact N-O 3.12Å; T50-N54 WeakPolarHBondContact OG1-CB 3.31Å; T50-N54 PolarHBondContact OG1-N 2.92Å; T50-N54 VanDerWaalsContact OG1-N 3.16Å; T50-N54 PolarHBondContact OG1-O 2.93Å; D52-N54 PolarHBondContact O-N 3.39Å; D52-N54 VanDerWaalsContact O-N 3.07Å; N54-K56 PolarHBondContact O-N 3.09Å |
| 55 | R | 92 | Very high | 92.5 | Very high | 98 Ų | 98 | 29.4 Ų | 29.4 | 37% | 0.37 | 17% | 0.172 | S | C | . | . | B | Isolated β-bridge | trans | -51.6 | 133.7 | 171.8 | -80.8 | -82 | -172.7 | 147.5 | 7.2 | 111 | H295 Q372 | R55-H295 VanDerWaalsContact NH1-CB 3.34Å; R55-H295 PolarHBondContact NH1-O 2.82Å; R55-H295 VanDerWaalsContact NH1-O 3.1Å; R55-H295 PolarHBondContact NH2-O 3.03Å; R55-Q372 PolarHBondContact O-NE2 3.1Å |
| 56 | K | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -73.6 | -57.6 | 178.7 | 174.4 | 59 | 57.8 | 171.8 | 0 | 111.6 | L47 Q48 I49 N54 S337 P369 A371 Q372 I373 | L47-K56 HydrophobicContact CD2-CG 4.49Å; L47-K56 WeakPolarHBondContact O-CB 3.44Å; L47-K56 WeakPolarHBondContact O-CG 3.28Å; Q48-K56 VanDerWaalsContact C-CB 3.49Å; Q48-K56 WeakPolarHBondContact O-CB 3.46Å; Q48-K56 PolarHBondContact O-N 3.04Å; I49-K56 WeakPolarHBondContact O-CE 3.32Å; N54-K56 PolarHBondContact O-N 3.09Å; K56-S337 VanDerWaalsContact CE-O 3.29Å; K56-S337 WeakPolarHBondContact CE-O 3.39Å; K56-S337 PolarHBondContact NZ-O 2.91Å; K56-P369 PolarHBondContact NZ-O 3.11Å; K56-A371 WeakPolarHBondContact CD-O 3.28Å; K56-A371 PolarHBondContact NZ-O 2.99Å; K56-Q372 WeakPolarHBondContact O-CA 3.38Å; K56-I373 HydrophobicContact CD-CD1 3.94Å; K56-I373 HydrophobicContact CD-CG1 4.32Å; K56-I373 HydrophobicContact CG-CD1 4.08Å; K56-I373 PolarHBondContact O-N 3.27Å |
| 57 | I | 96.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.2 | 172.2 | -57.1 | 171.2 | 0 | 0 | 0 | 107.6 | I40 P42 L47 M60 Y291 I373 | I40-I57 HydrophobicContact CG2-CD1 3.75Å; P42-I57 HydrophobicContact CB-CD1 4.24Å; L47-I57 HydrophobicContact CB-CD1 4.31Å; I57-M60 HydrophobicContact CG2-CG 3.6Å; I57-M60 HydrophobicContact CG2-SD 4.19Å; I57-Y291 HydrophobicContact CG2-CE1 4.04Å; I57-I373 WeakPolarHBondContact CA-O 3.43Å |
| 58 | V | 94.8 | Very high | 92.5 | Very high | 20 Ų | 20 | 28.3 Ų | 28.3 | 12% | 0.121 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -42.6 | 178.8 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | H295 Q372 I373 V374 | V58-H295 PolarHBondContact O-CE1 3.17Å; V58-H295 VanDerWaalsContact O-CE1 3.24Å; V58-H295 PolarHBondContact O-ND1 3.23Å; V58-Q372 HydrophobicContact CG2-CB 3.78Å; V58-Q372 HydrophobicContact CG2-CG 4Å; V58-I373 PolarHBondContact N-O 3.45Å; V58-V374 HydrophobicContact CB-CG2 4.44Å |
| 59 | D | 95.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 156.1 | -178.2 | -159.3 | 8.9 | 0 | 0 | 0 | 112.4 | T292 K311 V374 S375 L402 | D59-T292 HydrophobicContact CB-CG2 4.21Å; D59-T292 WeakPolarHBondContact OD1-CG2 3.32Å; D59-T292 WeakPolarHBondContact OD2-CG2 3.41Å; D59-K311 WeakPolarHBondContact OD1-CE 3.42Å; D59-K311 IonicContact OD1-NZ 2.96Å; D59-K311 PolarHBondContact OD1-NZ 3.07Å; D59-K311 IonicContact OD2-NZ 3.29Å; D59-K311 PolarHBondContact OD2-NZ 3.16Å; D59-V374 HydrophobicContact CB-CG1 4.38Å; D59-S375 PolarHBondContact O-N 3.09Å; D59-L402 HydrophobicContact CB-CD1 3.92Å; D59-L402 HydrophobicContact CB-CD2 4.43Å; D59-L402 WeakPolarHBondContact OD2-CD1 3.4Å |
| 60 | M | 96.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 125.3 | 179.3 | -61.7 | -170.4 | 59.9 | 0 | 0 | 110.4 | I40 P42 I57 Y291 T309 K311 V322 S375 | I40-M60 WeakPolarHBondContact O-CE 3.43Å; P42-M60 HydrophobicContact CB-SD 4.05Å; P42-M60 HydrophobicContact CG-SD 4.21Å; I57-M60 HydrophobicContact CG2-CG 3.6Å; I57-M60 HydrophobicContact CG2-SD 4.19Å; M60-Y291 HydrophobicContact CB-CD1 4.36Å; M60-Y291 HydrophobicContact CG-CD1 4.12Å; M60-Y291 HydrophobicContact CG-CE1 3.92Å; M60-Y291 HydrophobicContact SD-CE1 4.37Å; M60-Y291 HydrophobicContact SD-CE2 4.07Å; M60-T309 HydrophobicContact CE-CG2 4.15Å; M60-T309 HydrophobicContact SD-CG2 3.58Å; M60-T309 VanDerWaalsContact SD-CG2 3.58Å; M60-K311 WeakPolarHBondContact O-CE 3.13Å; M60-V322 HydrophobicContact CB-CG1 4.08Å; M60-V322 HydrophobicContact CE-CG1 4.48Å; M60-S375 WeakPolarHBondContact CA-O 3.32Å |
| 61 | I | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 143.3 | -172.6 | -69.1 | 147.8 | 0 | 0 | 0 | 110.6 | V374 S375 K377 W398 L402 | I61-V374 HydrophobicContact CD1-CG1 4.41Å; I61-S375 PolarHBondContact N-O 3.38Å; I61-K377 PolarHBondContact O-N 2.98Å; I61-W398 HydrophobicContact CD1-CB 3.86Å; I61-W398 HydrophobicContact CD1-CD2 3.49Å; I61-W398 VanDerWaalsContact CD1-CD2 3.49Å; I61-W398 HydrophobicContact CD1-CE3 3.54Å; I61-W398 HydrophobicContact CD1-CG 3.65Å; I61-W398 HydrophobicContact CD1-CZ3 4.27Å; I61-W398 HydrophobicContact CG1-CD2 4.12Å; I61-W398 HydrophobicContact CG1-CE3 4.35Å; I61-W398 HydrophobicContact CG1-CG 4.39Å; I61-W398 HydrophobicContact CG2-CD2 4.39Å; I61-W398 HydrophobicContact CG2-CG 4.07Å; I61-L402 HydrophobicContact CD1-CD1 3.58Å |
| 62 | D | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 105.8 | 160.2 | -176.3 | 13 | 0 | 0 | 0 | 111.3 | S64 G65 S66 G67 Q320 V322 K377 | D62-S64 VanDerWaalsContact CG-OG 3.27Å; D62-S64 WeakPolarHBondContact OD1-CA 3.2Å; D62-S64 WeakPolarHBondContact OD1-CB 3.39Å; D62-S64 PolarHBondContact OD1-N 3.07Å; D62-S64 PolarHBondContact OD1-OG 3.15Å; D62-S64 PolarHBondContact OD2-OG 2.97Å; D62-G65 PolarHBondContact OD1-N 2.78Å; D62-G65 PolarHBondContact OD2-N 2.91Å; D62-S66 WeakPolarHBondContact OD2-CA 3.18Å; D62-S66 PolarHBondContact OD2-N 2.96Å; D62-S66 PolarHBondContact OD2-OG 3.39Å; D62-G67 PolarHBondContact OD2-N 2.81Å; D62-Q320 HydrophobicContact CB-CG 4.11Å; D62-Q320 PolarHBondContact O-NE2 3.11Å; D62-Q320 PolarHBondContact O-OE1 3.2Å; D62-V322 HydrophobicContact CB-CG2 4.43Å; D62-K377 HydrophobicContact CB-CD 4.32Å |
| 63 | A | 93.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -78.9 | -27.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G65 I376 K377 S391 R394 A395 | A63-G65 VanDerWaalsContact C-N 3.25Å; A63-G65 PolarHBondContact O-N 3.27Å; A63-I376 HydrophobicContact CB-CG2 3.66Å; A63-K377 WeakPolarHBondContact CA-O 3.44Å; A63-K377 WeakPolarHBondContact CB-O 3.5Å; A63-K377 PolarHBondContact N-O 2.9Å; A63-S391 WeakPolarHBondContact CB-O 3.06Å; A63-S391 WeakPolarHBondContact O-CA 3.26Å; A63-R394 HydrophobicContact CB-CB 3.8Å; A63-R394 WeakPolarHBondContact O-CD 3.4Å; A63-A395 HydrophobicContact CB-CB 4.15Å |
| 64 | S | 89.8 | Confident | 92.3 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -64.9 | -29.7 | 177.6 | 74.5 | 0 | 0 | 0 | 0 | 113 | D62 S66 K377 | D62-S64 VanDerWaalsContact CG-OG 3.27Å; D62-S64 WeakPolarHBondContact OD1-CA 3.2Å; D62-S64 WeakPolarHBondContact OD1-CB 3.39Å; D62-S64 PolarHBondContact OD1-N 3.07Å; D62-S64 PolarHBondContact OD1-OG 3.15Å; D62-S64 PolarHBondContact OD2-OG 2.97Å; S64-S66 VanDerWaalsContact C-N 3.25Å; S64-S66 VanDerWaalsContact OG-CB 3.31Å; S64-S66 WeakPolarHBondContact OG-CB 3.24Å; S64-S66 PolarHBondContact OG-N 3.47Å; S64-S66 VanDerWaalsContact OG-N 3.08Å; S64-S66 PolarHBondContact OG-OG 3.01Å; S64-S66 VanDerWaalsContact OG-OG 3.09Å; S64-K377 PolarHBondContact N-O 3.48Å |
| 65 | G | 87.3 | Confident | 92.2 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | trans | 76.1 | 10.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D62 A63 G67 D68 | D62-G65 PolarHBondContact OD1-N 2.78Å; D62-G65 PolarHBondContact OD2-N 2.91Å; A63-G65 VanDerWaalsContact C-N 3.25Å; A63-G65 PolarHBondContact O-N 3.27Å; G65-G67 PolarHBondContact O-N 3.4Å; G65-D68 WeakPolarHBondContact O-CB 3.39Å; G65-D68 PolarHBondContact O-N 2.93Å; G65-D68 VanDerWaalsContact O-N 3.12Å | ||
| 66 | S | 89.2 | Confident | 92.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -35.7 | 168.9 | 68 | 0 | 0 | 0 | 0 | 111.8 | D62 S64 K110 K377 | D62-S66 WeakPolarHBondContact OD2-CA 3.18Å; D62-S66 PolarHBondContact OD2-N 2.96Å; D62-S66 PolarHBondContact OD2-OG 3.39Å; S64-S66 VanDerWaalsContact C-N 3.25Å; S64-S66 VanDerWaalsContact OG-CB 3.31Å; S64-S66 WeakPolarHBondContact OG-CB 3.24Å; S64-S66 PolarHBondContact OG-N 3.47Å; S64-S66 VanDerWaalsContact OG-N 3.08Å; S64-S66 PolarHBondContact OG-OG 3.01Å; S64-S66 VanDerWaalsContact OG-OG 3.09Å; S66-K110 WeakPolarHBondContact O-CE 3.31Å; S66-K110 PolarHBondContact O-NZ 3.36Å; S66-K377 PolarHBondContact OG-NZ 3.42Å |
| 67 | G | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D62 G65 V69 Q320 I321 | D62-G67 PolarHBondContact OD2-N 2.81Å; G65-G67 PolarHBondContact O-N 3.4Å; G67-V69 PolarHBondContact O-N 3.42Å; G67-Q320 WeakPolarHBondContact O-CA 3.37Å; G67-I321 WeakPolarHBondContact CA-O 3.41Å; G67-I321 PolarHBondContact O-N 2.98Å |
| 68 | D | 92.4 | Very high | 91.1 | Very high | 31 Ų | 31 | 47.6 Ų | 47.6 | 17% | 0.166 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 129.4 | -177.5 | -70.6 | -2.7 | 0 | 0 | 0 | 110.9 | G65 K110 L318 Q320 R394 | G65-D68 WeakPolarHBondContact O-CB 3.39Å; G65-D68 PolarHBondContact O-N 2.93Å; G65-D68 VanDerWaalsContact O-N 3.12Å; D68-K110 PolarHBondContact O-NZ 3.47Å; D68-L318 HydrophobicContact CB-CD1 4.08Å; D68-Q320 PolarHBondContact OD1-NE2 3.37Å; D68-R394 IonicContact OD1-NH1 3.32Å; D68-R394 IonicContact OD2-CZ 3.68Å; D68-R394 IonicContact OD2-NH1 3.45Å; D68-R394 PolarHBondContact OD2-NH1 3.45Å; D68-R394 IonicContact OD2-NH2 3.75Å; D68-R394 PolarHBondContact OD2-NH2 2.6Å |
| 69 | V | 94 | Very high | 90.2 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.1 | 179.7 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | G67 M71 K110 C258 L319 I321 | G67-V69 PolarHBondContact O-N 3.42Å; V69-M71 HydrophobicContact CB-SD 4.32Å; V69-M71 HydrophobicContact CG1-SD 3.73Å; V69-M71 PolarHBondContact O-N 3.19Å; V69-K110 HydrophobicContact CG2-CB 4Å; V69-K110 HydrophobicContact CG2-CD 3.95Å; V69-K110 HydrophobicContact CG2-CG 4.08Å; V69-C258 HydrophobicContact CG1-CB 4.45Å; V69-L319 HydrophobicContact CB-CB 4.2Å; V69-L319 PolarHBondContact N-O 3.25Å; V69-L319 PolarHBondContact O-N 3.29Å; V69-I321 HydrophobicContact CG2-CD1 3.62Å; V69-I321 HydrophobicContact CG2-CG1 4.2Å |
| 70 | K | 90.2 | Very high | 89.2 | Confident | 152 Ų | 152 | 64.1 Ų | 64.1 | 66% | 0.661 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 100.9 | -174.1 | -68.2 | 176.1 | -179.3 | 174.8 | 0 | 110.4 | K72 L318 | K70-K72 HydrophobicContact CB-CG 4.36Å; K70-K72 PolarHBondContact O-N 2.85Å; K70-L318 HydrophobicContact CG-CD1 4.43Å |
| 71 | M | 93.5 | Very high | 88.4 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | trans | -76.2 | 60.7 | -174.1 | -54 | -52.2 | -72.8 | 0 | 0 | 112 | V69 R106 C258 V260 G316 K317 L319 | V69-M71 HydrophobicContact CB-SD 4.32Å; V69-M71 HydrophobicContact CG1-SD 3.73Å; V69-M71 PolarHBondContact O-N 3.19Å; M71-R106 HydrophobicContact CB-CB 4.05Å; M71-R106 HydrophobicContact CE-CB 4.41Å; M71-R106 PolarHBondContact O-NH1 3.11Å; M71-C258 HydrophobicContact CE-CB 4.19Å; M71-C258 WeakPolarHBondContact CE-O 3.36Å; M71-C258 HydrophobicContact SD-CB 4.41Å; M71-V260 HydrophobicContact CE-CB 3.84Å; M71-V260 HydrophobicContact CE-CG2 3.82Å; M71-V260 HydrophobicContact CG-CB 4.4Å; M71-V260 HydrophobicContact CG-CG2 4.28Å; M71-G316 VanDerWaalsContact CB-O 3.27Å; M71-G316 WeakPolarHBondContact CB-O 3.49Å; M71-K317 PolarHBondContact N-O 3.42Å; M71-L319 HydrophobicContact CG-CB 3.8Å; M71-L319 HydrophobicContact SD-CB 3.85Å; M71-L319 HydrophobicContact SD-CD2 4.23Å | ||
| 72 | K | 83.1 | Confident | 88.1 | Confident | 165 Ų | 165 | 71.2 Ų | 71.2 | 72% | 0.717 | 32% | 0.315 | S | S | * | . | trans | -74.9 | -42.8 | -172.7 | -73.8 | -176.4 | 174.1 | -176.2 | 0 | 113.4 | K70 | K70-K72 HydrophobicContact CB-CG 4.36Å; K70-K72 PolarHBondContact O-N 2.85Å | ||
| 73 | Y | 89.3 | Confident | 87.9 | Confident | 145 Ų | 145 | 76.9 Ų | 76.9 | 57% | 0.569 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 137.3 | -173.1 | -70 | -91.4 | 0 | 0 | 0 | 109.8 | L87 R106 I107 | Y73-L87 HydrophobicContact CD1-CD2 4.16Å; Y73-L87 HydrophobicContact CD2-CD1 3.75Å; Y73-L87 HydrophobicContact CD2-CD2 3.68Å; Y73-L87 HydrophobicContact CD2-CG 4.34Å; Y73-L87 HydrophobicContact CE1-CD2 4.34Å; Y73-L87 HydrophobicContact CE2-CD1 4.31Å; Y73-L87 HydrophobicContact CE2-CD2 3.9Å; Y73-L87 HydrophobicContact CG-CD1 4.37Å; Y73-L87 HydrophobicContact CG-CD2 3.82Å; Y73-R106 CarbonylContact O-C 3.58Å; Y73-R106 WeakPolarHBondContact O-CA 3.32Å; Y73-I107 PolarHBondContact O-N 3.07Å |
| 74 | K | 91.7 | Very high | 87.7 | Confident | 106 Ų | 106 | 77.4 Ų | 77.4 | 46% | 0.461 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 140.6 | 172.8 | -73.4 | -173.4 | 167.6 | -158.8 | 0 | 109.4 | I104 I105 R106 | K74-I104 HydrophobicContact CB-CG2 4.17Å; K74-I104 HydrophobicContact CD-CD1 4.39Å; K74-I104 HydrophobicContact CD-CG2 3.69Å; K74-I104 HydrophobicContact CG-CG2 3.83Å; K74-I105 WeakPolarHBondContact CA-O 3.11Å; K74-R106 HydrophobicContact CG-CG 4.44Å |
| 75 | R | 90.3 | Very high | 87.7 | Confident | 121 Ų | 121 | 82.3 Ų | 82.3 | 46% | 0.457 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.4 | 159.7 | -65.1 | -62.9 | -167.8 | -179.8 | 3.9 | 108 | I84 I105 I107 | R75-I84 HydrophobicContact CB-CG2 4.29Å; R75-I84 HydrophobicContact CG-CG2 4.35Å; R75-I105 PolarHBondContact N-O 2.97Å; R75-I105 PolarHBondContact O-N 2.92Å; R75-I107 HydrophobicContact CG-CD1 3.68Å |
| 76 | F | 89.7 | Confident | 87.8 | Confident | 150 Ų | 150 | 82.5 Ų | 82.5 | 66% | 0.658 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 141.6 | 161.3 | -76.8 | -86.6 | 0 | 0 | 0 | 108.4 | G103 I104 | F76-G103 CarbonylContact C-O 3.58Å; F76-G103 VanDerWaalsContact CA-O 3.31Å; F76-G103 WeakPolarHBondContact CA-O 3.46Å; F76-I104 HydrophobicContact CD1-CG1 3.87Å; F76-I104 HydrophobicContact CE1-CD1 3.79Å; F76-I104 HydrophobicContact CE1-CG1 3.41Å; F76-I104 VanDerWaalsContact CE1-CG1 3.41Å; F76-I104 HydrophobicContact CZ-CD1 3.76Å; F76-I104 HydrophobicContact CZ-CG1 3.82Å |
| 77 | I | 89 | Confident | 87.6 | Confident | 17 Ų | 17 | 85.7 Ų | 85.7 | 9% | 0.087 | 39% | 0.387 | C | S | . | . | trans | -121.4 | 144.1 | 169.6 | 51.5 | 156.9 | 0 | 0 | 0 | 109.6 | I84 I94 P100 G103 I105 | I77-I84 HydrophobicContact CG2-CG2 4.1Å; I77-I94 HydrophobicContact CD1-CG2 4.04Å; I77-I94 HydrophobicContact CG2-CG1 4.36Å; I77-P100 HydrophobicContact CD1-CG 4.05Å; I77-P100 HydrophobicContact CG1-CG 4.32Å; I77-G103 WeakPolarHBondContact CG1-O 3.38Å; I77-G103 PolarHBondContact N-O 3Å; I77-I105 HydrophobicContact CD1-CD1 3.55Å; I77-I105 HydrophobicContact CD1-CG1 4.09Å; I77-I105 HydrophobicContact CG1-CD1 4.13Å; I77-I105 HydrophobicContact CG1-CG1 4.27Å; I77-I105 HydrophobicContact CG2-CD1 4.44Å | ||
| 78 | D | 81.6 | Confident | 87.3 | Confident | 76 Ų | 76 | 88.4 Ų | 88.4 | 41% | 0.406 | 40% | 0.403 | S | S | . | . | trans | -129.3 | -177.4 | 170.5 | 70.9 | 38 | 0 | 0 | 0 | 110 | K80 H81 R82 | D78-K80 PolarHBondContact O-N 3.09Å; D78-K80 WeakPolarHBondContact OD1-CA 3.38Å; D78-K80 WeakPolarHBondContact OD1-CB 3.5Å; D78-K80 PolarHBondContact OD1-N 3.42Å; D78-H81 IonicContact OD1-CG 2.8Å; D78-H81 PolarHBondContact OD1-N 3.1Å; D78-H81 IonicContact OD1-ND1 3.3Å; D78-H81 PolarHBondContact OD1-ND1 3.25Å; D78-H81 VanDerWaalsContact OD1-ND1 3.12Å; D78-H81 IonicContact OD2-CE1 2.68Å; D78-H81 IonicContact OD2-CG 3.44Å; D78-H81 IonicContact OD2-ND1 2.67Å; D78-H81 PolarHBondContact OD2-ND1 3.41Å; D78-R82 VanDerWaalsContact O-CG 3.28Å; D78-R82 WeakPolarHBondContact O-CG 3.33Å | ||
| 79 | Q | 75.9 | Confident | 86.9 | Confident | 183 Ų | 183 | 88.9 Ų | 88.9 | 86% | 0.855 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -70.5 | -12.9 | -178.6 | -69.2 | -176.9 | -12.4 | 0 | 0 | 114.7 | ||
| 80 | K | 74.2 | Confident | 86.5 | Confident | 185 Ų | 185 | 91.9 Ų | 91.9 | 80% | 0.804 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -104.5 | -28.8 | 178.7 | -62 | -176.6 | 177.1 | -178 | 0 | 112.8 | D78 | D78-K80 PolarHBondContact O-N 3.09Å; D78-K80 WeakPolarHBondContact OD1-CA 3.38Å; D78-K80 WeakPolarHBondContact OD1-CB 3.5Å; D78-K80 PolarHBondContact OD1-N 3.42Å |
| 81 | H | 79.2 | Confident | 86.5 | Confident | 122 Ų | 122 | 92.5 Ų | 92.5 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | trans | -118.8 | 65.6 | -171.5 | -52.6 | 107.3 | 0 | 0 | 0 | 111.3 | D78 | D78-H81 IonicContact OD1-CG 2.8Å; D78-H81 PolarHBondContact OD1-N 3.1Å; D78-H81 IonicContact OD1-ND1 3.3Å; D78-H81 PolarHBondContact OD1-ND1 3.25Å; D78-H81 VanDerWaalsContact OD1-ND1 3.12Å; D78-H81 IonicContact OD2-CE1 2.68Å; D78-H81 IonicContact OD2-CG 3.44Å; D78-H81 IonicContact OD2-ND1 2.67Å; D78-H81 PolarHBondContact OD2-ND1 3.41Å | ||
| 82 | R | 89.5 | Confident | 86.3 | Confident | 28 Ų | 28 | 93.2 Ų | 93.2 | 11% | 0.106 | 43% | 0.434 | C | S | . | . | trans | -89.6 | -11.8 | 177.7 | -57.2 | -169.7 | 78.2 | 94.3 | 1.6 | 114.1 | D78 E93 I94 P95 W98 N99 | D78-R82 VanDerWaalsContact O-CG 3.28Å; D78-R82 WeakPolarHBondContact O-CG 3.33Å; R82-E93 HydrophobicContact CB-CG 4.43Å; R82-I94 HydrophobicContact CB-CB 4.5Å; R82-I94 PolarHBondContact NE-O 3.23Å; R82-I94 WeakPolarHBondContact O-CB 3.41Å; R82-I94 PolarHBondContact O-N 3.26Å; R82-P95 PolarHBondContact NH2-O 2.72Å; R82-W98 PolarHBondContact NH2-O 3.4Å; R82-N99 PolarHBondContact NH1-OD1 2.72Å; R82-N99 PolarHBondContact NH2-OD1 3.14Å | ||
| 83 | I | 89.9 | Confident | 86.7 | Confident | 119 Ų | 119 | 91.7 Ų | 91.7 | 61% | 0.61 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 121.6 | 176.1 | -57.6 | 174.3 | 0 | 0 | 0 | 109.3 | K91 E93 | I83-K91 HydrophobicContact CG2-CB 4.47Å; I83-E93 HydrophobicContact CG1-CB 4.27Å; I83-E93 HydrophobicContact CG1-CG 4.25Å |
| 84 | I | 89.3 | Confident | 86.8 | Confident | 12 Ų | 12 | 84.8 Ų | 84.8 | 6% | 0.062 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 153.1 | 177.7 | 61.5 | 168.4 | 0 | 0 | 0 | 111.7 | R75 I77 K91 V92 I94 I107 F259 | R75-I84 HydrophobicContact CB-CG2 4.29Å; R75-I84 HydrophobicContact CG-CG2 4.35Å; I77-I84 HydrophobicContact CG2-CG2 4.1Å; I84-K91 WeakPolarHBondContact O-CA 3.32Å; I84-V92 PolarHBondContact N-O 3.22Å; I84-V92 PolarHBondContact O-N 2.92Å; I84-I94 HydrophobicContact CD1-CD1 3.69Å; I84-I94 HydrophobicContact CD1-CG1 3.9Å; I84-I94 HydrophobicContact CG1-CD1 4.2Å; I84-I94 HydrophobicContact CG1-CG1 4.06Å; I84-I107 HydrophobicContact CD1-CD1 3.85Å; I84-F259 HydrophobicContact CD1-CE1 3.79Å |
| 85 | E | 89.7 | Confident | 86.9 | Confident | 104 Ų | 104 | 80.3 Ų | 80.3 | 49% | 0.486 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.3 | 166.2 | -165.1 | 170.3 | 158.7 | 0 | 0 | 109.2 | ||
| 86 | T | 89.5 | Confident | 86.8 | Confident | 10 Ų | 10 | 79.1 Ų | 79.1 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | trans | -81.2 | 175.7 | -177.4 | 60.3 | 0 | 0 | 0 | 0 | 112.1 | T88 G89 R90 V92 D257 F259 | T86-T88 VanDerWaalsContact C-N 3.32Å; T86-T88 PolarHBondContact OG1-OG1 2.72Å; T86-G89 PolarHBondContact O-N 3Å; T86-G89 VanDerWaalsContact O-N 3.11Å; T86-R90 WeakPolarHBondContact CB-O 3.3Å; T86-R90 PolarHBondContact N-O 2.94Å; T86-R90 PolarHBondContact OG1-N 3.42Å; T86-R90 VanDerWaalsContact OG1-N 3.12Å; T86-R90 PolarHBondContact OG1-O 3.34Å; T86-V92 HydrophobicContact CG2-CB 4.22Å; T86-V92 HydrophobicContact CG2-CG2 3.68Å; T86-D257 WeakPolarHBondContact CB-OD1 3.48Å; T86-D257 PolarHBondContact OG1-OD2 3.46Å; T86-F259 HydrophobicContact CG2-CE1 4.26Å; T86-F259 HydrophobicContact CG2-CZ 3.87Å | ||
| 87 | L | 85.8 | Confident | 86.7 | Confident | 67 Ų | 67 | 77 Ų | 77 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -19 | -179.1 | -66.2 | 173.9 | 0 | 0 | 0 | 112.6 | Y73 G89 I107 V109 D257 | Y73-L87 HydrophobicContact CD1-CD2 4.16Å; Y73-L87 HydrophobicContact CD2-CD1 3.75Å; Y73-L87 HydrophobicContact CD2-CD2 3.68Å; Y73-L87 HydrophobicContact CD2-CG 4.34Å; Y73-L87 HydrophobicContact CE1-CD2 4.34Å; Y73-L87 HydrophobicContact CE2-CD1 4.31Å; Y73-L87 HydrophobicContact CE2-CD2 3.9Å; Y73-L87 HydrophobicContact CG-CD1 4.37Å; Y73-L87 HydrophobicContact CG-CD2 3.82Å; L87-G89 PolarHBondContact O-N 2.85Å; L87-I107 HydrophobicContact CD1-CB 4.37Å; L87-I107 HydrophobicContact CD1-CG2 3.97Å; L87-I107 HydrophobicContact CG-CB 4.49Å; L87-I107 HydrophobicContact CG-CG2 3.9Å; L87-V109 HydrophobicContact CB-CG1 3.72Å; L87-V109 HydrophobicContact CB-CG2 4.22Å; L87-V109 HydrophobicContact CD1-CG2 4.2Å; L87-D257 PolarHBondContact N-OD1 3.47Å |
| 88 | T | 85.2 | Confident | 86.9 | Confident | 56 Ų | 56 | 76.2 Ų | 76.2 | 34% | 0.344 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -4.1 | 165.2 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | T86 R90 V109 I255 D257 | T86-T88 VanDerWaalsContact C-N 3.32Å; T86-T88 PolarHBondContact OG1-OG1 2.72Å; T88-R90 VanDerWaalsContact C-N 3.26Å; T88-R90 PolarHBondContact O-N 2.76Å; T88-R90 WeakPolarHBondContact OG1-CG 3.34Å; T88-R90 PolarHBondContact OG1-NE 2.89Å; T88-V109 HydrophobicContact CG2-CG1 4.04Å; T88-I255 HydrophobicContact CG2-CB 4.45Å; T88-I255 HydrophobicContact CG2-CG2 3.91Å; T88-D257 WeakPolarHBondContact CB-OD2 3.49Å; T88-D257 VanDerWaalsContact CG2-OD2 3.26Å; T88-D257 WeakPolarHBondContact CG2-OD2 3.45Å; T88-D257 PolarHBondContact N-OD1 3.3Å; T88-D257 PolarHBondContact OG1-OD2 3.36Å |
| 89 | G | 83.6 | Confident | 87.1 | Confident | 42 Ų | 42 | 76.9 Ų | 76.9 | 43% | 0.433 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 79.7 | 0.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T86 L87 | T86-G89 PolarHBondContact O-N 3Å; T86-G89 VanDerWaalsContact O-N 3.11Å; L87-G89 PolarHBondContact O-N 2.85Å |
| 90 | R | 86.7 | Confident | 87.9 | Confident | 67 Ų | 67 | 68.7 Ų | 68.7 | 25% | 0.253 | 35% | 0.348 | S | S | . | . | trans | -69 | 138.1 | 171.4 | -62.8 | -176.8 | -57.1 | 128.6 | 9.4 | 110.1 | T86 T88 V92 D257 D272 | T86-R90 WeakPolarHBondContact CB-O 3.3Å; T86-R90 PolarHBondContact N-O 2.94Å; T86-R90 PolarHBondContact OG1-N 3.42Å; T86-R90 VanDerWaalsContact OG1-N 3.12Å; T86-R90 PolarHBondContact OG1-O 3.34Å; T88-R90 VanDerWaalsContact C-N 3.26Å; T88-R90 PolarHBondContact O-N 2.76Å; T88-R90 WeakPolarHBondContact OG1-CG 3.34Å; T88-R90 PolarHBondContact OG1-NE 2.89Å; R90-V92 HydrophobicContact CB-CG2 4.09Å; R90-D257 IonicContact CZ-OD2 2.84Å; R90-D257 IonicContact NE-OD2 3.83Å; R90-D257 PolarHBondContact NE-OD2 2.84Å; R90-D257 IonicContact NH2-OD2 3.12Å; R90-D257 PolarHBondContact NH2-OD2 3.44Å; R90-D272 IonicContact CZ-OD2 2.9Å; R90-D272 VanDerWaalsContact CZ-OD2 3.24Å; R90-D272 IonicContact NH1-OD2 3.35Å; R90-D272 PolarHBondContact NH1-OD2 3Å; R90-D272 IonicContact NH2-OD2 3.27Å; R90-D272 PolarHBondContact NH2-OD2 3.49Å | ||
| 91 | K | 89.7 | Confident | 88.5 | Confident | 165 Ų | 165 | 64.6 Ų | 64.6 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.7 | 165.6 | -66.9 | -175.1 | 178.5 | -174.7 | 0 | 108.9 | I83 I84 | I83-K91 HydrophobicContact CG2-CB 4.47Å; I84-K91 WeakPolarHBondContact O-CA 3.32Å |
| 92 | V | 90 | Very high | 89.1 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 136.3 | -176.7 | -168.5 | 0 | 0 | 0 | 0 | 109.5 | I84 T86 R90 L282 | I84-V92 PolarHBondContact N-O 3.22Å; I84-V92 PolarHBondContact O-N 2.92Å; T86-V92 HydrophobicContact CG2-CB 4.22Å; T86-V92 HydrophobicContact CG2-CG2 3.68Å; R90-V92 HydrophobicContact CB-CG2 4.09Å; V92-L282 HydrophobicContact CG1-CB 4.33Å; V92-L282 HydrophobicContact CG1-CD2 3.52Å |
| 93 | E | 90.9 | Very high | 89.1 | Confident | 133 Ų | 133 | 61.9 Ų | 61.9 | 62% | 0.621 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 123.9 | 173.8 | -172.3 | 179.7 | 176.3 | 0 | 0 | 109.8 | R82 I83 P95 | R82-E93 HydrophobicContact CB-CG 4.43Å; I83-E93 HydrophobicContact CG1-CB 4.27Å; I83-E93 HydrophobicContact CG1-CG 4.25Å; E93-P95 WeakPolarHBondContact O-CD 3.27Å |
| 94 | I | 92.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -74 | 120.7 | 177.4 | -66.6 | -60.1 | 0 | 0 | 0 | 110 | I77 R82 I84 W98 I105 F259 L282 | I77-I94 HydrophobicContact CD1-CG2 4.04Å; I77-I94 HydrophobicContact CG2-CG1 4.36Å; R82-I94 HydrophobicContact CB-CB 4.5Å; R82-I94 PolarHBondContact NE-O 3.23Å; R82-I94 WeakPolarHBondContact O-CB 3.41Å; R82-I94 PolarHBondContact O-N 3.26Å; I84-I94 HydrophobicContact CD1-CD1 3.69Å; I84-I94 HydrophobicContact CD1-CG1 3.9Å; I84-I94 HydrophobicContact CG1-CD1 4.2Å; I84-I94 HydrophobicContact CG1-CG1 4.06Å; I94-W98 HydrophobicContact CD1-CE3 4.11Å; I94-W98 HydrophobicContact CD1-CZ3 4.03Å; I94-W98 HydrophobicContact CG2-CB 3.79Å; I94-W98 HydrophobicContact CG2-CD2 4.24Å; I94-W98 HydrophobicContact CG2-CE3 3.84Å; I94-W98 HydrophobicContact CG2-CG 4.28Å; I94-I105 HydrophobicContact CB-CD1 4.46Å; I94-I105 HydrophobicContact CD1-CD1 4.03Å; I94-I105 HydrophobicContact CG1-CD1 4.02Å; I94-I105 HydrophobicContact CG2-CD1 3.68Å; I94-F259 HydrophobicContact CD1-CE1 4.47Å; I94-L282 HydrophobicContact CD1-CD2 4.27Å |
| 95 | P | 92.3 | Very high | 89.5 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 8% | 0.078 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 139.6 | -175.4 | -27.8 | 34.8 | 0 | 0 | 0 | 113 | R82 E93 H97 W98 L282 S283 | R82-P95 PolarHBondContact NH2-O 2.72Å; E93-P95 WeakPolarHBondContact O-CD 3.27Å; P95-H97 PolarHBondContact O-N 3.11Å; P95-W98 HydrophobicContact CB-CG 4.38Å; P95-W98 HydrophobicContact CG-CD2 4.38Å; P95-W98 HydrophobicContact CG-CZ2 4.4Å; P95-W98 WeakPolarHBondContact O-CB 3.5Å; P95-W98 PolarHBondContact O-N 2.86Å; P95-L282 HydrophobicContact CG-CB 4.48Å; P95-L282 HydrophobicContact CG-CG 4.15Å; P95-S283 VanDerWaalsContact CG-CA 3.49Å |
| 96 | S | 87.9 | Confident | 89.8 | Confident | 97 Ų | 97 | 52.7 Ų | 52.7 | 68% | 0.678 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.2 | -174 | 56.7 | 0 | 0 | 0 | 0 | 115.3 | N99 | S96-N99 PolarHBondContact O-ND2 3.3Å; S96-N99 PolarHBondContact O-OD1 2.9Å |
| 97 | H | 89.4 | Confident | 90.1 | Very high | 105 Ų | 105 | 52.4 Ų | 52.4 | 49% | 0.486 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -10.3 | 177.2 | 65.5 | -91.4 | 0 | 0 | 0 | 114 | P95 N99 S283 | P95-H97 PolarHBondContact O-N 3.11Å; H97-N99 PolarHBondContact O-N 2.78Å; H97-S283 PolarHBondContact CE1-O 3.44Å |
| 98 | W | 91.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | trans | -83.7 | 85.8 | 174 | -65.7 | 18.8 | 0 | 0 | 0 | 109.7 | R82 I94 P95 P100 I105 F259 F261 C270 L282 L287 | R82-W98 PolarHBondContact NH2-O 3.4Å; I94-W98 HydrophobicContact CD1-CE3 4.11Å; I94-W98 HydrophobicContact CD1-CZ3 4.03Å; I94-W98 HydrophobicContact CG2-CB 3.79Å; I94-W98 HydrophobicContact CG2-CD2 4.24Å; I94-W98 HydrophobicContact CG2-CE3 3.84Å; I94-W98 HydrophobicContact CG2-CG 4.28Å; P95-W98 HydrophobicContact CB-CG 4.38Å; P95-W98 HydrophobicContact CG-CD2 4.38Å; P95-W98 HydrophobicContact CG-CZ2 4.4Å; P95-W98 WeakPolarHBondContact O-CB 3.5Å; P95-W98 PolarHBondContact O-N 2.86Å; W98-P100 VanDerWaalsContact C-CD 3.48Å; W98-P100 VanDerWaalsContact O-CD 3.24Å; W98-P100 WeakPolarHBondContact O-CD 3.36Å; W98-I105 HydrophobicContact CE3-CD1 4.17Å; W98-F259 HydrophobicContact CH2-CB 4.33Å; W98-F259 AromaticContact CH2-CD2 3.97Å; W98-F259 HydrophobicContact CH2-CD2 3.97Å; W98-F259 HydrophobicContact CH2-CG 4.37Å; W98-F259 HydrophobicContact CZ3-CB 3.89Å; W98-F259 AromaticContact CZ3-CD2 3.97Å; W98-F259 HydrophobicContact CZ3-CD2 3.97Å; W98-F259 AromaticContact CZ3-CG 3.96Å; W98-F259 HydrophobicContact CZ3-CG 3.96Å; W98-F261 HydrophobicContact CB-CE1 4.31Å; W98-F261 HydrophobicContact CB-CE2 4.31Å; W98-F261 HydrophobicContact CB-CZ 3.74Å; W98-F261 AromaticContact CD2-CE1 3.68Å; W98-F261 HydrophobicContact CD2-CE1 3.68Å; W98-F261 AromaticContact CD2-CZ 3.77Å; W98-F261 HydrophobicContact CD2-CZ 3.77Å; W98-F261 HydrophobicContact CE3-CD1 4.3Å; W98-F261 AromaticContact CE3-CE1 3.42Å; W98-F261 HydrophobicContact CE3-CE1 3.42Å; W98-F261 VanDerWaalsContact CE3-CE1 3.42Å; W98-F261 AromaticContact CE3-CZ 3.99Å; W98-F261 HydrophobicContact CE3-CZ 3.99Å; W98-F261 HydrophobicContact CG-CE1 4.07Å; W98-F261 AromaticContact CG-CZ 3.66Å; W98-F261 HydrophobicContact CG-CZ 3.66Å; W98-F261 HydrophobicContact CZ3-CE1 4Å; W98-C270 HydrophobicContact CH2-CB 3.49Å; W98-C270 VanDerWaalsContact CH2-CB 3.49Å; W98-C270 HydrophobicContact CZ2-CB 3.81Å; W98-C270 HydrophobicContact CZ3-CB 4.44Å; W98-L282 HydrophobicContact CH2-CD1 3.7Å; W98-L282 HydrophobicContact CH2-CD2 4.08Å; W98-L282 HydrophobicContact CH2-CG 3.94Å; W98-L282 HydrophobicContact CZ2-CD1 4.07Å; W98-L282 HydrophobicContact CZ2-CG 4.15Å; W98-L282 HydrophobicContact CZ3-CD2 4.37Å; W98-L287 HydrophobicContact CD2-CD2 4.27Å; W98-L287 HydrophobicContact CZ2-CD2 3.92Å | ||
| 99 | N | 86.9 | Confident | 90.8 | Very high | 90 Ų | 90 | 49.3 Ų | 49.3 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | trans | -116.7 | 77.6 | -176.9 | -66.3 | -43.9 | 0 | 0 | 0 | 111.8 | R82 S96 H97 | R82-N99 PolarHBondContact NH1-OD1 2.72Å; R82-N99 PolarHBondContact NH2-OD1 3.14Å; S96-N99 PolarHBondContact O-ND2 3.3Å; S96-N99 PolarHBondContact O-OD1 2.9Å; H97-N99 PolarHBondContact O-N 2.78Å | ||
| 100 | P | 91.1 | Very high | 91.2 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 7% | 0.071 | 25% | 0.252 | C | S | . | . | trans | -61.9 | 135.7 | 174.2 | 24.4 | -32.1 | 0 | 0 | 0 | 111.4 | I77 W98 D102 G103 I105 F261 H262 | I77-P100 HydrophobicContact CD1-CG 4.05Å; I77-P100 HydrophobicContact CG1-CG 4.32Å; W98-P100 VanDerWaalsContact C-CD 3.48Å; W98-P100 VanDerWaalsContact O-CD 3.24Å; W98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-D102 VanDerWaalsContact C-N 3.27Å; P100-D102 PolarHBondContact O-N 3.35Å; P100-G103 PolarHBondContact O-N 3.22Å; P100-I105 HydrophobicContact CG-CG1 4.23Å; P100-F261 HydrophobicContact CB-CB 4.18Å; P100-F261 HydrophobicContact CB-CD2 3.93Å; P100-F261 HydrophobicContact CB-CG 4.43Å; P100-F261 HydrophobicContact CG-CB 4.48Å; P100-F261 HydrophobicContact CG-CD2 4.27Å; P100-H262 VanDerWaalsContact CA-O 3.3Å; P100-H262 WeakPolarHBondContact CA-O 3.32Å; P100-H262 WeakPolarHBondContact CB-O 3.31Å | ||
| 101 | P | 88.6 | Confident | 91.4 | Very high | 98 Ų | 98 | 45.8 Ų | 45.8 | 64% | 0.636 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.9 | -175.9 | -19.2 | 28.1 | 0 | 0 | 0 | 114.7 | H262 | P101-H262 VanDerWaalsContact CD-O 3.25Å; P101-H262 WeakPolarHBondContact CD-O 3.15Å |
| 102 | D | 90.5 | Very high | 91.3 | Very high | 79 Ų | 79 | 37.9 Ų | 37.9 | 42% | 0.422 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -2.6 | 176.3 | 70.3 | -12 | 0 | 0 | 0 | 113 | P100 I104 | P100-D102 VanDerWaalsContact C-N 3.27Å; P100-D102 PolarHBondContact O-N 3.35Å; D102-I104 HydrophobicContact CB-CG1 4.29Å; D102-I104 PolarHBondContact O-N 3.16Å; D102-I104 WeakPolarHBondContact OD1-CB 3.24Å; D102-I104 PolarHBondContact OD1-N 3.39Å; D102-I104 WeakPolarHBondContact OD2-CB 3.46Å; D102-I104 WeakPolarHBondContact OD2-CD1 2.74Å; D102-I104 WeakPolarHBondContact OD2-CG1 3.28Å |
| 103 | G | 90.3 | Very high | 91 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | trans | 70.2 | 5.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F76 I77 P100 | F76-G103 CarbonylContact C-O 3.58Å; F76-G103 VanDerWaalsContact CA-O 3.31Å; F76-G103 WeakPolarHBondContact CA-O 3.46Å; I77-G103 WeakPolarHBondContact CG1-O 3.38Å; I77-G103 PolarHBondContact N-O 3Å; P100-G103 PolarHBondContact O-N 3.22Å | ||
| 104 | I | 93 | Very high | 90.8 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 9% | 0.092 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 117.4 | -170.7 | -56.5 | -176.1 | 0 | 0 | 0 | 111.5 | K74 F76 D102 F261 | K74-I104 HydrophobicContact CB-CG2 4.17Å; K74-I104 HydrophobicContact CD-CD1 4.39Å; K74-I104 HydrophobicContact CD-CG2 3.69Å; K74-I104 HydrophobicContact CG-CG2 3.83Å; F76-I104 HydrophobicContact CD1-CG1 3.87Å; F76-I104 HydrophobicContact CE1-CD1 3.79Å; F76-I104 HydrophobicContact CE1-CG1 3.41Å; F76-I104 VanDerWaalsContact CE1-CG1 3.41Å; F76-I104 HydrophobicContact CZ-CD1 3.76Å; F76-I104 HydrophobicContact CZ-CG1 3.82Å; D102-I104 HydrophobicContact CB-CG1 4.29Å; D102-I104 PolarHBondContact O-N 3.16Å; D102-I104 WeakPolarHBondContact OD1-CB 3.24Å; D102-I104 PolarHBondContact OD1-N 3.39Å; D102-I104 WeakPolarHBondContact OD2-CB 3.46Å; D102-I104 WeakPolarHBondContact OD2-CD1 2.74Å; D102-I104 WeakPolarHBondContact OD2-CG1 3.28Å; I104-F261 WeakPolarHBondContact O-CB 3.43Å |
| 105 | I | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.9 | 162.6 | -65 | -178.8 | 0 | 0 | 0 | 109.4 | K74 R75 I77 I94 W98 P100 F259 F261 | K74-I105 WeakPolarHBondContact CA-O 3.11Å; R75-I105 PolarHBondContact N-O 2.97Å; R75-I105 PolarHBondContact O-N 2.92Å; I77-I105 HydrophobicContact CD1-CD1 3.55Å; I77-I105 HydrophobicContact CD1-CG1 4.09Å; I77-I105 HydrophobicContact CG1-CD1 4.13Å; I77-I105 HydrophobicContact CG1-CG1 4.27Å; I77-I105 HydrophobicContact CG2-CD1 4.44Å; I94-I105 HydrophobicContact CB-CD1 4.46Å; I94-I105 HydrophobicContact CD1-CD1 4.03Å; I94-I105 HydrophobicContact CG1-CD1 4.02Å; I94-I105 HydrophobicContact CG2-CD1 3.68Å; W98-I105 HydrophobicContact CE3-CD1 4.17Å; P100-I105 HydrophobicContact CG-CG1 4.23Å; I105-F259 HydrophobicContact CG2-CB 4.29Å; I105-F259 HydrophobicContact CG2-CD1 3.94Å; I105-F261 HydrophobicContact CD1-CD1 4.42Å; I105-F261 HydrophobicContact CG1-CB 4.09Å; I105-F261 HydrophobicContact CG1-CD1 4.16Å; I105-F261 HydrophobicContact CG1-CG 4.25Å |
| 106 | R | 95.9 | Very high | 90.6 | Very high | 25 Ų | 25 | 34.2 Ų | 34.2 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 143.2 | 171.8 | -53.1 | 170.4 | 168.9 | -90.5 | 13.1 | 110.1 | M71 Y73 K74 F259 V260 N315 G316 | M71-R106 HydrophobicContact CB-CB 4.05Å; M71-R106 HydrophobicContact CE-CB 4.41Å; M71-R106 PolarHBondContact O-NH1 3.11Å; Y73-R106 CarbonylContact O-C 3.58Å; Y73-R106 WeakPolarHBondContact O-CA 3.32Å; K74-R106 HydrophobicContact CG-CG 4.44Å; R106-F259 WeakPolarHBondContact O-CA 3.36Å; R106-V260 WeakPolarHBondContact CA-O 3.47Å; R106-V260 HydrophobicContact CB-CB 4.44Å; R106-V260 VanDerWaalsContact CB-O 3.25Å; R106-V260 WeakPolarHBondContact CB-O 3.46Å; R106-V260 PolarHBondContact N-O 2.89Å; R106-V260 PolarHBondContact O-N 2.95Å; R106-N315 PolarHBondContact NH2-O 2.98Å; R106-G316 WeakPolarHBondContact CD-O 3.31Å; R106-G316 PolarHBondContact NE-O 3.05Å |
| 107 | I | 95.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 139.2 | -178.1 | -44.1 | 178.3 | 0 | 0 | 0 | 110 | Y73 R75 I84 L87 C258 F259 | Y73-I107 PolarHBondContact O-N 3.07Å; R75-I107 HydrophobicContact CG-CD1 3.68Å; I84-I107 HydrophobicContact CD1-CD1 3.85Å; L87-I107 HydrophobicContact CD1-CB 4.37Å; L87-I107 HydrophobicContact CD1-CG2 3.97Å; L87-I107 HydrophobicContact CG-CB 4.49Å; L87-I107 HydrophobicContact CG-CG2 3.9Å; I107-C258 WeakPolarHBondContact CA-O 3.19Å; I107-F259 HydrophobicContact CD1-CE1 4.38Å; I107-F259 HydrophobicContact CG1-CD1 4.16Å; I107-F259 HydrophobicContact CG1-CE1 4.23Å; I107-F259 HydrophobicContact CG2-CD1 4.43Å; I107-F259 HydrophobicContact CG2-CE1 4.2Å |
| 108 | G | 94.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 176 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | C258 | G108-C258 PolarHBondContact N-O 3.34Å; G108-C258 PolarHBondContact O-N 3.12Å |
| 109 | V | 92.5 | Very high | 90.1 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 33% | 0.333 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 151.2 | 175.4 | -87.5 | 0 | 0 | 0 | 0 | 110.3 | L87 T88 I255 Y256 D257 | L87-V109 HydrophobicContact CB-CG1 3.72Å; L87-V109 HydrophobicContact CB-CG2 4.22Å; L87-V109 HydrophobicContact CD1-CG2 4.2Å; T88-V109 HydrophobicContact CG2-CG1 4.04Å; V109-I255 HydrophobicContact CB-CG2 4.14Å; V109-I255 HydrophobicContact CG1-CG2 4.15Å; V109-Y256 CarbonylContact C-O 3.55Å; V109-Y256 VanDerWaalsContact CA-O 3.31Å; V109-Y256 WeakPolarHBondContact CA-O 3.34Å; V109-D257 WeakPolarHBondContact CG1-OD1 3.45Å |
| 110 | K | 92.2 | Very high | 90.2 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 117.6 | 175.3 | -164.5 | 57.5 | 151.9 | -176.7 | 0 | 111.9 | S66 D68 V69 E114 L115 Y256 I321 | S66-K110 WeakPolarHBondContact O-CE 3.31Å; S66-K110 PolarHBondContact O-NZ 3.36Å; D68-K110 PolarHBondContact O-NZ 3.47Å; V69-K110 HydrophobicContact CG2-CB 4Å; V69-K110 HydrophobicContact CG2-CD 3.95Å; V69-K110 HydrophobicContact CG2-CG 4.08Å; K110-E114 HydrophobicContact CD-CB 4.43Å; K110-E114 WeakPolarHBondContact CE-OE2 3.47Å; K110-E114 IonicContact NZ-OE2 3.68Å; K110-E114 PolarHBondContact NZ-OE2 3.46Å; K110-L115 HydrophobicContact CB-CD1 4.47Å; K110-L115 HydrophobicContact CG-CD1 3.7Å; K110-L115 HydrophobicContact CG-CD2 4.09Å; K110-L115 HydrophobicContact CG-CG 3.83Å; K110-Y256 PolarHBondContact N-O 2.93Å; K110-Y256 PolarHBondContact O-N 3.26Å; K110-I321 HydrophobicContact CB-CD1 4.04Å; K110-I321 HydrophobicContact CG-CD1 4.03Å |
| 111 | P | 89.6 | Confident | 89.9 | Confident | 27 Ų | 27 | 30.5 Ų | 30.5 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 146.1 | 168.5 | 25.9 | -34.8 | 0 | 0 | 0 | 111.9 | S113 E114 E253 I254 I255 | P111-S113 VanDerWaalsContact C-N 3.33Å; P111-S113 PolarHBondContact O-N 2.93Å; P111-E114 HydrophobicContact CG-CB 4.35Å; P111-E114 HydrophobicContact CG-CG 3.88Å; P111-E114 PolarHBondContact O-N 2.91Å; P111-E253 VanDerWaalsContact CB-CD 3.49Å; P111-E253 HydrophobicContact CB-CG 4.14Å; P111-E253 WeakPolarHBondContact CB-OE1 3.47Å; P111-I254 CarbonylContact C-O 3.53Å; P111-I254 WeakPolarHBondContact CA-O 3.37Å; P111-I255 HydrophobicContact CB-CG1 4.33Å |
| 112 | A | 88.7 | Confident | 89.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -67.9 | -28.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E114 L115 F116 M121 I254 Y256 | A112-E114 VanDerWaalsContact C-N 3.26Å; A112-E114 PolarHBondContact O-N 3.44Å; A112-L115 PolarHBondContact O-N 3.17Å; A112-F116 HydrophobicContact CB-CD1 4.22Å; A112-F116 HydrophobicContact CB-CD2 4.19Å; A112-F116 HydrophobicContact CB-CE1 4.18Å; A112-F116 HydrophobicContact CB-CE2 4.17Å; A112-F116 HydrophobicContact CB-CG 4.23Å; A112-F116 HydrophobicContact CB-CZ 4.17Å; A112-F116 WeakPolarHBondContact O-CB 3.14Å; A112-F116 PolarHBondContact O-N 3.42Å; A112-M121 HydrophobicContact CB-SD 4.38Å; A112-I254 HydrophobicContact CB-CB 3.77Å; A112-I254 HydrophobicContact CB-CG2 3.91Å; A112-I254 WeakPolarHBondContact CB-O 3.48Å; A112-I254 PolarHBondContact N-O 3.38Å; A112-Y256 HydrophobicContact CB-CE2 4.07Å |
| 113 | S | 82.7 | Confident | 89.6 | Confident | 43 Ų | 43 | 30.3 Ų | 30.3 | 30% | 0.301 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -64.9 | -27.4 | 178.3 | 67 | 0 | 0 | 0 | 0 | 113.8 | P111 L115 E253 | P111-S113 VanDerWaalsContact C-N 3.33Å; P111-S113 PolarHBondContact O-N 2.93Å; S113-L115 PolarHBondContact O-N 2.93Å; S113-E253 WeakPolarHBondContact CB-OE1 3.38Å; S113-E253 PolarHBondContact OG-OE1 2.91Å |
| 114 | E | 86.4 | Confident | 89.3 | Confident | 39 Ų | 39 | 30.8 Ų | 30.8 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -76.5 | -10.6 | 173.6 | -69.1 | -170.3 | 176.9 | 0 | 0 | 113 | K110 P111 A112 S381 R382 | K110-E114 HydrophobicContact CD-CB 4.43Å; K110-E114 WeakPolarHBondContact CE-OE2 3.47Å; K110-E114 IonicContact NZ-OE2 3.68Å; K110-E114 PolarHBondContact NZ-OE2 3.46Å; P111-E114 HydrophobicContact CG-CB 4.35Å; P111-E114 HydrophobicContact CG-CG 3.88Å; P111-E114 PolarHBondContact O-N 2.91Å; A112-E114 VanDerWaalsContact C-N 3.26Å; A112-E114 PolarHBondContact O-N 3.44Å; E114-S381 WeakPolarHBondContact O-CB 3.3Å; E114-R382 HydrophobicContact CB-CG 4.32Å; E114-R382 HydrophobicContact CG-CG 4.02Å |
| 115 | L | 89.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -53.7 | -176.2 | -65 | 178.6 | 0 | 0 | 0 | 112.4 | K110 A112 S113 F300 I321 T323 S381 | K110-L115 HydrophobicContact CB-CD1 4.47Å; K110-L115 HydrophobicContact CG-CD1 3.7Å; K110-L115 HydrophobicContact CG-CD2 4.09Å; K110-L115 HydrophobicContact CG-CG 3.83Å; A112-L115 PolarHBondContact O-N 3.17Å; S113-L115 PolarHBondContact O-N 2.93Å; L115-F300 HydrophobicContact CD1-CE1 4.24Å; L115-F300 HydrophobicContact CD1-CZ 3.91Å; L115-I321 HydrophobicContact CD1-CD1 4.27Å; L115-I321 HydrophobicContact CD1-CG2 4.29Å; L115-I321 HydrophobicContact CD2-CB 4.21Å; L115-I321 HydrophobicContact CD2-CG2 4.27Å; L115-T323 HydrophobicContact CB-CG2 4.13Å; L115-T323 HydrophobicContact CD2-CG2 4.4Å; L115-S381 PolarHBondContact O-OG 2.83Å |
| 116 | F | 90.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -76.8 | 147.1 | -162.3 | -74.3 | 19.6 | 0 | 0 | 0 | 113 | A112 K118 L120 M121 L124 Y256 F300 T304 L306 | A112-F116 HydrophobicContact CB-CD1 4.22Å; A112-F116 HydrophobicContact CB-CD2 4.19Å; A112-F116 HydrophobicContact CB-CE1 4.18Å; A112-F116 HydrophobicContact CB-CE2 4.17Å; A112-F116 HydrophobicContact CB-CG 4.23Å; A112-F116 HydrophobicContact CB-CZ 4.17Å; A112-F116 WeakPolarHBondContact O-CB 3.14Å; A112-F116 PolarHBondContact O-N 3.42Å; F116-K118 PolarHBondContact O-N 3.22Å; F116-L120 HydrophobicContact CD2-CD2 3.97Å; F116-L120 HydrophobicContact CD2-CG 4.43Å; F116-L120 HydrophobicContact CE2-CD2 4.46Å; F116-L120 HydrophobicContact CG-CD2 4.33Å; F116-M121 HydrophobicContact CB-CG 3.75Å; F116-M121 HydrophobicContact CB-SD 3.9Å; F116-M121 HydrophobicContact CD2-CG 4.44Å; F116-M121 HydrophobicContact CD2-SD 3.64Å; F116-M121 HydrophobicContact CG-SD 4.13Å; F116-L124 HydrophobicContact CD2-CD1 4.11Å; F116-L124 HydrophobicContact CE2-CD1 3.95Å; F116-Y256 HydrophobicContact CE1-CE2 4.08Å; F116-Y256 AromaticContact CZ-CE2 3.98Å; F116-Y256 HydrophobicContact CZ-CE2 3.98Å; F116-Y256 WeakPolarHBondContact CZ-OH 3.37Å; F116-F300 HydrophobicContact CD1-CD2 4.49Å; F116-F300 HydrophobicContact CE1-CB 4.21Å; F116-F300 AromaticContact CE1-CD1 3.96Å; F116-F300 HydrophobicContact CE1-CD1 3.96Å; F116-F300 AromaticContact CE1-CD2 3.57Å; F116-F300 HydrophobicContact CE1-CD2 3.57Å; F116-F300 HydrophobicContact CE1-CE1 4.2Å; F116-F300 AromaticContact CE1-CE2 3.82Å; F116-F300 HydrophobicContact CE1-CE2 3.82Å; F116-F300 AromaticContact CE1-CG 3.64Å; F116-F300 HydrophobicContact CE1-CG 3.64Å; F116-F300 HydrophobicContact CE1-CZ 4.15Å; F116-F300 HydrophobicContact CZ-CB 3.79Å; F116-F300 HydrophobicContact CZ-CD1 4.18Å; F116-F300 HydrophobicContact CZ-CD2 4.04Å; F116-F300 AromaticContact CZ-CG 3.74Å; F116-F300 HydrophobicContact CZ-CG 3.74Å; F116-T304 HydrophobicContact CE2-CG2 4.3Å; F116-L306 HydrophobicContact CB-CD2 4.39Å; F116-L306 HydrophobicContact CD1-CD2 3.42Å; F116-L306 VanDerWaalsContact CD1-CD2 3.42Å; F116-L306 HydrophobicContact CD2-CD2 4.45Å; F116-L306 HydrophobicContact CE1-CD2 3.72Å; F116-L306 HydrophobicContact CG-CD2 3.83Å; F116-L306 HydrophobicContact CZ-CD2 4.33Å |
| 117 | P | 89.5 | Confident | 87.7 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.013 | 19% | 0.193 | C | C | . | . | trans | -53.7 | 136.8 | 167.9 | -24.4 | 32.5 | 0 | 0 | 0 | 112.4 | L119 L120 M121 L306 N325 W561 | P117-L119 PolarHBondContact O-N 3.43Å; P117-L120 HydrophobicContact CB-CB 4.05Å; P117-L120 HydrophobicContact CG-CB 4.31Å; P117-L120 WeakPolarHBondContact O-CB 3.45Å; P117-L120 PolarHBondContact O-N 3.49Å; P117-M121 PolarHBondContact O-N 2.89Å; P117-L306 HydrophobicContact CG-CD1 4.4Å; P117-N325 WeakPolarHBondContact CB-O 3.42Å; P117-W561 HydrophobicContact CB-CH2 3.67Å; P117-W561 HydrophobicContact CB-CZ2 3.71Å; P117-W561 HydrophobicContact CB-CZ3 4.12Å; P117-W561 HydrophobicContact CG-CD2 4.13Å; P117-W561 HydrophobicContact CG-CH2 4.04Å; P117-W561 HydrophobicContact CG-CZ2 3.56Å; P117-W561 HydrophobicContact CG-CZ3 4.49Å | ||
| 118 | K | 83.8 | Confident | 87 | Confident | 109 Ų | 109 | 41.2 Ų | 41.2 | 47% | 0.474 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55 | -38.4 | 177.9 | -69.2 | -178.2 | 176 | 178.6 | 0 | 112.7 | F116 M121 Q122 L383 | F116-K118 PolarHBondContact O-N 3.22Å; K118-M121 PolarHBondContact O-N 3.47Å; K118-Q122 WeakPolarHBondContact O-CG 3.49Å; K118-Q122 PolarHBondContact O-N 3.15Å; K118-L383 PolarHBondContact NZ-O 3.29Å |
| 119 | L | 85.7 | Confident | 86.4 | Confident | 90 Ų | 90 | 42.9 Ų | 42.9 | 47% | 0.471 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.6 | -37.5 | 175.1 | -67.3 | 172.3 | 0 | 0 | 0 | 113.1 | P117 Q122 R123 W561 | P117-L119 PolarHBondContact O-N 3.43Å; L119-Q122 PolarHBondContact O-N 3.02Å; L119-R123 PolarHBondContact O-N 2.92Å; L119-W561 HydrophobicContact CB-CH2 4.31Å; L119-W561 HydrophobicContact CB-CZ3 4.05Å; L119-W561 HydrophobicContact CD1-CH2 4.49Å |
| 120 | L | 89.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.9 | -42.7 | 175.7 | -179.7 | 63.1 | 0 | 0 | 0 | 110.7 | F116 P117 Q122 R123 L124 L306 W561 | F116-L120 HydrophobicContact CD2-CD2 3.97Å; F116-L120 HydrophobicContact CD2-CG 4.43Å; F116-L120 HydrophobicContact CE2-CD2 4.46Å; F116-L120 HydrophobicContact CG-CD2 4.33Å; P117-L120 HydrophobicContact CB-CB 4.05Å; P117-L120 HydrophobicContact CG-CB 4.31Å; P117-L120 WeakPolarHBondContact O-CB 3.45Å; P117-L120 PolarHBondContact O-N 3.49Å; L120-Q122 VanDerWaalsContact C-N 3.33Å; L120-Q122 PolarHBondContact O-N 2.76Å; L120-R123 VanDerWaalsContact CD1-NH2 3.34Å; L120-R123 PolarHBondContact O-N 2.84Å; L120-L124 HydrophobicContact CD1-CD1 4.17Å; L120-L124 HydrophobicContact CD1-CG 4.17Å; L120-L124 HydrophobicContact CG-CD1 3.93Å; L120-L124 HydrophobicContact CG-CG 4.36Å; L120-L124 WeakPolarHBondContact O-CG 3.17Å; L120-L124 PolarHBondContact O-N 3.46Å; L120-L306 HydrophobicContact CD2-CB 3.86Å; L120-L306 HydrophobicContact CD2-CD1 4.46Å; L120-L306 HydrophobicContact CD2-CD2 3.84Å; L120-L306 HydrophobicContact CD2-CG 4.27Å; L120-W561 HydrophobicContact CB-CE3 3.99Å; L120-W561 HydrophobicContact CB-CZ3 4.31Å; L120-W561 HydrophobicContact CD1-CB 4.37Å; L120-W561 HydrophobicContact CD1-CE3 4.5Å; L120-W561 HydrophobicContact CD2-CB 4.32Å |
| 121 | M | 85.5 | Confident | 85.4 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -41.6 | 174.1 | -72.1 | -64.1 | -71.6 | 0 | 0 | 111.7 | A112 F116 P117 K118 R125 | A112-M121 HydrophobicContact CB-SD 4.38Å; F116-M121 HydrophobicContact CB-CG 3.75Å; F116-M121 HydrophobicContact CB-SD 3.9Å; F116-M121 HydrophobicContact CD2-CG 4.44Å; F116-M121 HydrophobicContact CD2-SD 3.64Å; F116-M121 HydrophobicContact CG-SD 4.13Å; P117-M121 PolarHBondContact O-N 2.89Å; K118-M121 PolarHBondContact O-N 3.47Å; M121-R125 VanDerWaalsContact O-CB 3.28Å; M121-R125 WeakPolarHBondContact O-CB 3.35Å; M121-R125 WeakPolarHBondContact O-CG 3.48Å; M121-R125 PolarHBondContact O-N 3.45Å |
| 122 | Q | 83.7 | Confident | 84.9 | Confident | 116 Ų | 116 | 53.7 Ų | 53.7 | 54% | 0.542 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 173.9 | -75 | 169.4 | -15.4 | 0 | 0 | 112 | K118 L119 L120 R125 G126 | K118-Q122 WeakPolarHBondContact O-CG 3.49Å; K118-Q122 PolarHBondContact O-N 3.15Å; L119-Q122 PolarHBondContact O-N 3.02Å; L120-Q122 VanDerWaalsContact C-N 3.33Å; L120-Q122 PolarHBondContact O-N 2.76Å; Q122-R125 PolarHBondContact O-N 3.46Å; Q122-G126 PolarHBondContact O-N 2.98Å |
| 123 | R | 88 | Confident | 84.6 | Confident | 57 Ų | 57 | 56.6 Ų | 56.6 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.8 | -54.4 | 175.8 | 178.3 | 168.9 | 74.7 | 77.4 | -6.2 | 111.6 | L119 L120 R125 G126 E127 Q303 T304 | L119-R123 PolarHBondContact O-N 2.92Å; L120-R123 VanDerWaalsContact CD1-NH2 3.34Å; L120-R123 PolarHBondContact O-N 2.84Å; R123-R125 VanDerWaalsContact C-N 3.31Å; R123-R125 PolarHBondContact O-N 2.87Å; R123-G126 PolarHBondContact O-N 3.4Å; R123-G126 VanDerWaalsContact O-N 3.16Å; R123-E127 WeakPolarHBondContact CD-OE1 3.4Å; R123-E127 HydrophobicContact CG-CG 4.29Å; R123-E127 WeakPolarHBondContact CG-OE1 3.02Å; R123-E127 IonicContact CZ-OE1 2.61Å; R123-E127 IonicContact NE-OE1 2.71Å; R123-E127 VanDerWaalsContact NH1-CD 3.28Å; R123-E127 IonicContact NH1-OE1 2.71Å; R123-E127 PolarHBondContact NH1-OE1 3.18Å; R123-E127 IonicContact NH1-OE2 2.66Å; R123-E127 PolarHBondContact NH1-OE2 2.87Å; R123-E127 WeakPolarHBondContact O-CB 3.4Å; R123-E127 WeakPolarHBondContact O-CG 3.47Å; R123-E127 PolarHBondContact O-N 3.48Å; R123-Q303 PolarHBondContact NH1-O 3.44Å; R123-Q303 VanDerWaalsContact NH1-O 3.14Å; R123-Q303 PolarHBondContact NH2-O 3.28Å; R123-T304 PolarHBondContact NH2-O 3.47Å |
| 124 | L | 85 | Confident | 84.6 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.12 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -35.9 | -178.7 | -66.2 | 171.6 | 0 | 0 | 0 | 112.4 | F116 L120 N128 T304 | F116-L124 HydrophobicContact CD2-CD1 4.11Å; F116-L124 HydrophobicContact CE2-CD1 3.95Å; L120-L124 HydrophobicContact CD1-CD1 4.17Å; L120-L124 HydrophobicContact CD1-CG 4.17Å; L120-L124 HydrophobicContact CG-CD1 3.93Å; L120-L124 HydrophobicContact CG-CG 4.36Å; L120-L124 WeakPolarHBondContact O-CG 3.17Å; L120-L124 PolarHBondContact O-N 3.46Å; L124-N128 VanDerWaalsContact O-CB 3.27Å; L124-N128 WeakPolarHBondContact O-CB 3.42Å; L124-N128 PolarHBondContact O-N 3.33Å; L124-T304 HydrophobicContact CD1-CG2 4.23Å |
| 125 | R | 82.6 | Confident | 84.5 | Confident | 109 Ų | 109 | 59.4 Ų | 59.4 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.5 | -39 | 174.9 | -73.2 | -180 | 168 | -169.7 | -5.7 | 112.4 | M121 Q122 R123 R129 P251 | M121-R125 VanDerWaalsContact O-CB 3.28Å; M121-R125 WeakPolarHBondContact O-CB 3.35Å; M121-R125 WeakPolarHBondContact O-CG 3.48Å; M121-R125 PolarHBondContact O-N 3.45Å; Q122-R125 PolarHBondContact O-N 3.46Å; R123-R125 VanDerWaalsContact C-N 3.31Å; R123-R125 PolarHBondContact O-N 2.87Å; R125-R129 WeakPolarHBondContact O-CB 3.46Å; R125-R129 PolarHBondContact O-N 2.94Å; R125-R129 VanDerWaalsContact O-N 3.13Å; R125-P251 HydrophobicContact CB-CG 4.3Å; R125-P251 HydrophobicContact CG-CG 3.68Å |
| 126 | G | 83.2 | Confident | 83.9 | Confident | 29 Ų | 29 | 60 Ų | 60 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.2 | -53.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q122 R123 N128 R129 D130 | Q122-G126 PolarHBondContact O-N 2.98Å; R123-G126 PolarHBondContact O-N 3.4Å; R123-G126 VanDerWaalsContact O-N 3.16Å; G126-N128 VanDerWaalsContact C-N 3.28Å; G126-N128 PolarHBondContact O-N 2.89Å; G126-R129 PolarHBondContact O-N 2.89Å; G126-R129 VanDerWaalsContact O-N 3.08Å; G126-D130 PolarHBondContact O-N 3.46Å |
| 127 | E | 83.1 | Confident | 83.4 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 30% | 0.304 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.4 | -40.2 | 177.5 | -72.9 | 169.5 | -173.1 | 0 | 0 | 112.3 | R123 N131 | R123-E127 WeakPolarHBondContact CD-OE1 3.4Å; R123-E127 HydrophobicContact CG-CG 4.29Å; R123-E127 WeakPolarHBondContact CG-OE1 3.02Å; R123-E127 IonicContact CZ-OE1 2.61Å; R123-E127 IonicContact NE-OE1 2.71Å; R123-E127 VanDerWaalsContact NH1-CD 3.28Å; R123-E127 IonicContact NH1-OE1 2.71Å; R123-E127 PolarHBondContact NH1-OE1 3.18Å; R123-E127 IonicContact NH1-OE2 2.66Å; R123-E127 PolarHBondContact NH1-OE2 2.87Å; R123-E127 WeakPolarHBondContact O-CB 3.4Å; R123-E127 WeakPolarHBondContact O-CG 3.47Å; R123-E127 PolarHBondContact O-N 3.48Å; E127-N131 WeakPolarHBondContact O-CB 3.22Å; E127-N131 VanDerWaalsContact O-CG 3.28Å; E127-N131 PolarHBondContact O-N 3.43Å; E127-N131 PolarHBondContact O-ND2 2.94Å |
| 128 | N | 80.8 | Confident | 83 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.4 | -43 | 176.8 | -165.6 | -4.6 | 0 | 0 | 0 | 112 | L124 G126 D130 F132 W133 Y249 | L124-N128 VanDerWaalsContact O-CB 3.27Å; L124-N128 WeakPolarHBondContact O-CB 3.42Å; L124-N128 PolarHBondContact O-N 3.33Å; G126-N128 VanDerWaalsContact C-N 3.28Å; G126-N128 PolarHBondContact O-N 2.89Å; N128-D130 PolarHBondContact O-N 3.39Å; N128-F132 PolarHBondContact O-N 2.68Å; N128-F132 VanDerWaalsContact O-N 3.11Å; N128-F132 WeakPolarHBondContact OD1-CD2 3.3Å; N128-W133 PolarHBondContact O-N 3.44Å; N128-Y249 PolarHBondContact ND2-OH 3.34Å; N128-Y249 PolarHBondContact OD1-OH 2.89Å |
| 129 | R | 81.5 | Confident | 82.8 | Confident | 38 Ų | 38 | 70.3 Ų | 70.3 | 14% | 0.143 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -62 | -43.3 | 176.9 | -169.3 | -178.7 | 171.1 | -166.6 | -1.2 | 112.1 | R125 G126 W133 R134 D246 Y249 Y504 | R125-R129 WeakPolarHBondContact O-CB 3.46Å; R125-R129 PolarHBondContact O-N 2.94Å; R125-R129 VanDerWaalsContact O-N 3.13Å; G126-R129 PolarHBondContact O-N 2.89Å; G126-R129 VanDerWaalsContact O-N 3.08Å; R129-W133 WeakPolarHBondContact O-CB 3.47Å; R129-R134 HydrophobicContact CG-CG 4.27Å; R129-R134 VanDerWaalsContact NH2-NH2 3.17Å; R129-R134 WeakPolarHBondContact O-CB 3.34Å; R129-R134 WeakPolarHBondContact O-CG 3.5Å; R129-R134 PolarHBondContact O-N 3.23Å; R129-D246 VanDerWaalsContact CZ-O 3.31Å; R129-D246 IonicContact CZ-OD1 2.83Å; R129-D246 IonicContact CZ-OD2 3.69Å; R129-D246 PolarHBondContact NE-O 3.13Å; R129-D246 IonicContact NE-OD1 3.9Å; R129-D246 PolarHBondContact NE-OD1 2.83Å; R129-D246 IonicContact NE-OD2 3.86Å; R129-D246 VanDerWaalsContact NH2-CG 3.27Å; R129-D246 PolarHBondContact NH2-O 3.23Å; R129-D246 IonicContact NH2-OD1 3.82Å; R129-D246 PolarHBondContact NH2-OD1 3.13Å; R129-D246 IonicContact NH2-OD2 2.77Å; R129-D246 PolarHBondContact NH2-OD2 2.84Å; R129-Y249 HydrophobicContact CB-CD1 3.84Å; R129-Y249 HydrophobicContact CB-CE1 3.64Å; R129-Y249 HydrophobicContact CG-CD1 3.78Å; R129-Y249 HydrophobicContact CG-CE1 4.06Å; R129-Y249 HydrophobicContact CG-CG 4.36Å; R129-Y504 PolarHBondContact NH1-OH 2.72Å |
| 130 | D | 82.1 | Confident | 82.4 | Confident | 83 Ų | 83 | 66.9 Ų | 66.9 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | I | π-helix | trans | -82.1 | -33 | -175.1 | -71.7 | -39.5 | 0 | 0 | 0 | 113.6 | G126 N128 R134 P135 | G126-D130 PolarHBondContact O-N 3.46Å; N128-D130 PolarHBondContact O-N 3.39Å; D130-R134 WeakPolarHBondContact OD1-CD 3.29Å; D130-R134 IonicContact OD1-CZ 2.74Å; D130-R134 IonicContact OD1-NE 3.86Å; D130-R134 IonicContact OD1-NH1 3.5Å; D130-R134 PolarHBondContact OD1-NH1 3Å; D130-P135 WeakPolarHBondContact O-CD 3.48Å; D130-P135 WeakPolarHBondContact O-CG 3.49Å |
| 131 | N | 81.2 | Confident | 81.8 | Confident | 106 Ų | 106 | 68.7 Ų | 68.7 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | I | π-helix | trans | -88.8 | -29.8 | -177.9 | -66.3 | -45.7 | 0 | 0 | 0 | 114.5 | E127 P135 | E127-N131 WeakPolarHBondContact O-CB 3.22Å; E127-N131 VanDerWaalsContact O-CG 3.28Å; E127-N131 PolarHBondContact O-N 3.43Å; E127-N131 PolarHBondContact O-ND2 2.94Å; N131-P135 WeakPolarHBondContact O-CG 3.19Å |
| 132 | F | 80 | Confident | 81.4 | Confident | 129 Ų | 129 | 70.3 Ų | 70.3 | 57% | 0.566 | 35% | 0.345 | S | S | * | . | I | π-helix | trans | -117.8 | -54.8 | -175.1 | -57.3 | -80.2 | 0 | 0 | 0 | 112.4 | N128 C136 | N128-F132 PolarHBondContact O-N 2.68Å; N128-F132 VanDerWaalsContact O-N 3.11Å; N128-F132 WeakPolarHBondContact OD1-CD2 3.3Å; F132-C136 VanDerWaalsContact O-CB 3.24Å; F132-C136 WeakPolarHBondContact O-CB 3.34Å; F132-C136 PolarHBondContact O-N 2.76Å; F132-C136 VanDerWaalsContact O-N 3.07Å |
| 133 | W | 81.3 | Confident | 81.1 | Confident | 60 Ų | 60 | 68 Ų | 68 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | I | π-helix | trans | -67.3 | -53.3 | -172.3 | -179.2 | -114.3 | 0 | 0 | 0 | 113.1 | N128 R129 C136 I137 L245 Y249 | N128-W133 PolarHBondContact O-N 3.44Å; R129-W133 WeakPolarHBondContact O-CB 3.47Å; W133-C136 WeakPolarHBondContact O-CB 3.3Å; W133-C136 PolarHBondContact O-N 3.46Å; W133-C136 VanDerWaalsContact O-N 3.15Å; W133-I137 HydrophobicContact CD2-CD1 4.1Å; W133-I137 HydrophobicContact CD2-CG1 4.45Å; W133-I137 VanDerWaalsContact CE2-CD1 3.46Å; W133-I137 HydrophobicContact CG-CD1 4.45Å; W133-I137 HydrophobicContact CZ2-CD1 3.78Å; W133-I137 VanDerWaalsContact NE1-CD1 3.35Å; W133-I137 PolarHBondContact O-N 3.13Å; W133-L245 HydrophobicContact CZ2-CB 3.97Å; W133-Y249 HydrophobicContact CB-CD2 4.15Å; W133-Y249 HydrophobicContact CB-CE2 3.75Å; W133-Y249 AromaticContact CD1-CD2 3.58Å; W133-Y249 AromaticContact CD1-CG 3.76Å; W133-Y249 AromaticContact CD2-CD2 3.44Å; W133-Y249 HydrophobicContact CD2-CD2 3.44Å; W133-Y249 VanDerWaalsContact CD2-CD2 3.44Å; W133-Y249 AromaticContact CD2-CE2 3.68Å; W133-Y249 HydrophobicContact CD2-CE2 3.68Å; W133-Y249 HydrophobicContact CD2-CG 4.37Å; W133-Y249 AromaticContact CE2-CD2 3.44Å; W133-Y249 VanDerWaalsContact CE2-CD2 3.44Å; W133-Y249 HydrophobicContact CE3-CD2 4.1Å; W133-Y249 HydrophobicContact CE3-CE2 4.07Å; W133-Y249 AromaticContact CG-CD2 3.48Å; W133-Y249 HydrophobicContact CG-CD2 3.48Å; W133-Y249 VanDerWaalsContact CG-CD2 3.48Å; W133-Y249 AromaticContact CG-CE2 3.58Å; W133-Y249 HydrophobicContact CG-CE2 3.58Å; W133-Y249 HydrophobicContact CG-CG 4.09Å; W133-Y249 HydrophobicContact CZ2-CD2 4.03Å; W133-Y249 AromaticContact NE1-CD2 3.53Å; W133-Y249 AromaticContact NE1-CG 3.76Å |
| 134 | R | 82.6 | Confident | 80.4 | Confident | 78 Ų | 78 | 66 Ų | 66 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | -178.8 | -78.1 | 167.6 | 157.6 | -163.8 | -14.5 | 113.5 | R129 D130 C136 I137 K138 D246 | R129-R134 HydrophobicContact CG-CG 4.27Å; R129-R134 VanDerWaalsContact NH2-NH2 3.17Å; R129-R134 WeakPolarHBondContact O-CB 3.34Å; R129-R134 WeakPolarHBondContact O-CG 3.5Å; R129-R134 PolarHBondContact O-N 3.23Å; D130-R134 WeakPolarHBondContact OD1-CD 3.29Å; D130-R134 IonicContact OD1-CZ 2.74Å; D130-R134 IonicContact OD1-NE 3.86Å; D130-R134 IonicContact OD1-NH1 3.5Å; D130-R134 PolarHBondContact OD1-NH1 3Å; R134-C136 VanDerWaalsContact C-N 3.29Å; R134-C136 PolarHBondContact O-N 2.65Å; R134-I137 PolarHBondContact O-N 3.43Å; R134-K138 WeakPolarHBondContact O-CB 3.36Å; R134-K138 VanDerWaalsContact O-CG 3.31Å; R134-K138 WeakPolarHBondContact O-CG 3.17Å; R134-K138 PolarHBondContact O-N 3.35Å; R134-D246 WeakPolarHBondContact CG-OD1 3.36Å; R134-D246 IonicContact CZ-OD2 3.76Å; R134-D246 IonicContact NE-OD1 2.56Å; R134-D246 PolarHBondContact NE-OD1 2.87Å; R134-D246 IonicContact NE-OD2 2.99Å; R134-D246 PolarHBondContact NE-OD2 2.87Å; R134-D246 VanDerWaalsContact NE-OD2 3.13Å; R134-D246 IonicContact NH2-OD2 3.64Å; R134-D246 PolarHBondContact NH2-OD2 3.03Å; R134-D246 VanDerWaalsContact NH2-OD2 3.13Å |
| 135 | P | 84.9 | Confident | 79.8 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 41% | 0.409 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.6 | -36.3 | 170.5 | -28.1 | 38.9 | 0 | 0 | 0 | 112.7 | D130 N131 K138 R139 | D130-P135 WeakPolarHBondContact O-CD 3.48Å; D130-P135 WeakPolarHBondContact O-CG 3.49Å; N131-P135 WeakPolarHBondContact O-CG 3.19Å; P135-K138 PolarHBondContact O-N 3.13Å; P135-R139 WeakPolarHBondContact O-CB 3.49Å; P135-R139 PolarHBondContact O-N 3.08Å |
| 136 | C | 77.9 | Confident | 79.6 | Confident | 14 Ų | 14 | 69.3 Ų | 69.3 | 10% | 0.095 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.9 | -47.8 | 175.2 | -169.4 | 0 | 0 | 0 | 0 | 112.5 | F132 W133 R134 K138 R139 I140 L1737 | F132-C136 VanDerWaalsContact O-CB 3.24Å; F132-C136 WeakPolarHBondContact O-CB 3.34Å; F132-C136 PolarHBondContact O-N 2.76Å; F132-C136 VanDerWaalsContact O-N 3.07Å; W133-C136 WeakPolarHBondContact O-CB 3.3Å; W133-C136 PolarHBondContact O-N 3.46Å; W133-C136 VanDerWaalsContact O-N 3.15Å; R134-C136 VanDerWaalsContact C-N 3.29Å; R134-C136 PolarHBondContact O-N 2.65Å; C136-K138 VanDerWaalsContact C-N 3.32Å; C136-K138 PolarHBondContact O-N 3.35Å; C136-R139 PolarHBondContact O-N 2.94Å; C136-R139 VanDerWaalsContact O-N 3.17Å; C136-I140 WeakPolarHBondContact O-CG1 3.46Å; C136-I140 PolarHBondContact O-N 3.08Å; C136-L1737 VanDerWaalsContact SG-CD1 3.54Å; C136-L1737 WeakPolarHBondContact SG-CD2 3.29Å |
| 137 | I | 80.4 | Confident | 79.2 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 174.2 | -76.1 | -178.9 | 0 | 0 | 0 | 110.7 | W133 R134 R139 I140 A141 L242 L245 D246 | W133-I137 HydrophobicContact CD2-CD1 4.1Å; W133-I137 HydrophobicContact CD2-CG1 4.45Å; W133-I137 VanDerWaalsContact CE2-CD1 3.46Å; W133-I137 HydrophobicContact CG-CD1 4.45Å; W133-I137 HydrophobicContact CZ2-CD1 3.78Å; W133-I137 VanDerWaalsContact NE1-CD1 3.35Å; W133-I137 PolarHBondContact O-N 3.13Å; R134-I137 PolarHBondContact O-N 3.43Å; I137-R139 VanDerWaalsContact C-N 3.33Å; I137-R139 PolarHBondContact O-N 2.97Å; I137-I140 PolarHBondContact O-N 3.45Å; I137-A141 WeakPolarHBondContact O-CB 3.43Å; I137-A141 PolarHBondContact O-N 3.41Å; I137-L242 HydrophobicContact CG2-CB 4.28Å; I137-L245 HydrophobicContact CD1-CB 4.45Å; I137-D246 HydrophobicContact CD1-CB 3.95Å |
| 138 | K | 80.3 | Confident | 78.6 | Confident | 158 Ų | 158 | 67.7 Ų | 67.7 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.8 | -41.1 | 175.7 | -76.5 | 178 | 176.9 | -176 | 0 | 112.3 | R134 P135 C136 A142 | R134-K138 WeakPolarHBondContact O-CB 3.36Å; R134-K138 VanDerWaalsContact O-CG 3.31Å; R134-K138 WeakPolarHBondContact O-CG 3.17Å; R134-K138 PolarHBondContact O-N 3.35Å; P135-K138 PolarHBondContact O-N 3.13Å; C136-K138 VanDerWaalsContact C-N 3.32Å; C136-K138 PolarHBondContact O-N 3.35Å; K138-A142 VanDerWaalsContact O-CB 3.27Å; K138-A142 WeakPolarHBondContact O-CB 3.48Å; K138-A142 PolarHBondContact O-N 2.82Å |
| 139 | R | 80.4 | Confident | 78.4 | Confident | 146 Ų | 146 | 68.5 Ų | 68.5 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66 | -44.1 | 175.5 | -176.3 | 177.9 | 64.2 | -167.8 | -1.6 | 111.9 | P135 C136 I137 A142 N143 | P135-R139 WeakPolarHBondContact O-CB 3.49Å; P135-R139 PolarHBondContact O-N 3.08Å; C136-R139 PolarHBondContact O-N 2.94Å; C136-R139 VanDerWaalsContact O-N 3.17Å; I137-R139 VanDerWaalsContact C-N 3.33Å; I137-R139 PolarHBondContact O-N 2.97Å; R139-A142 PolarHBondContact O-N 3.29Å; R139-N143 WeakPolarHBondContact O-CB 3.1Å; R139-N143 VanDerWaalsContact O-CG 3.29Å; R139-N143 PolarHBondContact O-N 2.81Å; R139-N143 PolarHBondContact O-OD1 3.1Å |
| 140 | I | 77.4 | Confident | 78.1 | Confident | 18 Ų | 18 | 71.9 Ų | 71.9 | 9% | 0.092 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 177.4 | -67.3 | 162.9 | 0 | 0 | 0 | 110.3 | C136 I137 A142 N143 L144 L242 L1734 L1737 | C136-I140 WeakPolarHBondContact O-CG1 3.46Å; C136-I140 PolarHBondContact O-N 3.08Å; I137-I140 PolarHBondContact O-N 3.45Å; I140-A142 PolarHBondContact O-N 3.13Å; I140-N143 PolarHBondContact O-N 2.98Å; I140-L144 WeakPolarHBondContact O-CB 3.47Å; I140-L144 PolarHBondContact O-N 3.1Å; I140-L242 HydrophobicContact CG2-CD1 4.24Å; I140-L242 HydrophobicContact CG2-CD2 4.15Å; I140-L1734 HydrophobicContact CD1-CD2 3.73Å; I140-L1734 HydrophobicContact CD1-CG 4.47Å; I140-L1737 HydrophobicContact CD1-CD1 4.31Å |
| 141 | A | 75.9 | Confident | 77.5 | Confident | 40 Ų | 40 | 69.2 Ų | 69.2 | 33% | 0.331 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I137 L144 A145 L242 | I137-A141 WeakPolarHBondContact O-CB 3.43Å; I137-A141 PolarHBondContact O-N 3.41Å; A141-L144 PolarHBondContact O-N 2.83Å; A141-A145 WeakPolarHBondContact O-CB 3.49Å; A141-A145 PolarHBondContact O-N 3.34Å; A141-L242 HydrophobicContact CB-CD1 4.14Å |
| 142 | A | 76.6 | Confident | 77 | Confident | 59 Ų | 59 | 66.1 Ų | 66.1 | 49% | 0.488 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.9 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K138 R139 I140 L144 A145 Y146 | K138-A142 VanDerWaalsContact O-CB 3.27Å; K138-A142 WeakPolarHBondContact O-CB 3.48Å; K138-A142 PolarHBondContact O-N 2.82Å; R139-A142 PolarHBondContact O-N 3.29Å; I140-A142 PolarHBondContact O-N 3.13Å; A142-L144 VanDerWaalsContact C-N 3.3Å; A142-L144 PolarHBondContact O-N 3.35Å; A142-A145 PolarHBondContact O-N 3.14Å; A142-Y146 PolarHBondContact O-N 2.76Å |
| 143 | N | 78 | Confident | 76.6 | Confident | 66 Ų | 66 | 65.2 Ų | 65.2 | 35% | 0.353 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 172.7 | -72.5 | 10.9 | 0 | 0 | 0 | 110.7 | R139 I140 Y146 D147 | R139-N143 WeakPolarHBondContact O-CB 3.1Å; R139-N143 VanDerWaalsContact O-CG 3.29Å; R139-N143 PolarHBondContact O-N 2.81Å; R139-N143 PolarHBondContact O-OD1 3.1Å; I140-N143 PolarHBondContact O-N 2.98Å; N143-Y146 PolarHBondContact O-N 2.82Å; N143-D147 PolarHBondContact O-N 3.5Å |
| 144 | L | 72.9 | Confident | 75.9 | Confident | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 177.7 | -160.2 | 89.6 | 0 | 0 | 0 | 111.6 | I140 A141 A142 Y146 D147 L148 L238 I1730 | I140-L144 WeakPolarHBondContact O-CB 3.47Å; I140-L144 PolarHBondContact O-N 3.1Å; A141-L144 PolarHBondContact O-N 2.83Å; A142-L144 VanDerWaalsContact C-N 3.3Å; A142-L144 PolarHBondContact O-N 3.35Å; L144-Y146 VanDerWaalsContact C-N 3.27Å; L144-Y146 PolarHBondContact O-N 2.82Å; L144-D147 PolarHBondContact O-N 2.71Å; L144-L148 HydrophobicContact CD2-CD1 3.84Å; L144-L148 HydrophobicContact CG-CD1 3.9Å; L144-L148 HydrophobicContact CG-CG 4.44Å; L144-L148 VanDerWaalsContact O-CB 3.24Å; L144-L148 WeakPolarHBondContact O-CB 3.36Å; L144-L148 WeakPolarHBondContact O-CD1 3.47Å; L144-L148 WeakPolarHBondContact O-CG 3.25Å; L144-L148 PolarHBondContact O-N 3.41Å; L144-L238 HydrophobicContact CD1-CD1 3.75Å; L144-L238 HydrophobicContact CD1-CD2 4.21Å; L144-L238 HydrophobicContact CD2-CB 3.97Å; L144-L238 HydrophobicContact CD2-CD1 4.12Å; L144-L238 HydrophobicContact CD2-CD2 4.05Å; L144-L238 HydrophobicContact CD2-CG 4.26Å; L144-I1730 HydrophobicContact CD1-CD1 3.36Å; L144-I1730 HydrophobicContact CD1-CG1 4.04Å |
| 145 | A | 73.3 | Confident | 75 | Confident | 52 Ų | 52 | 67.6 Ų | 67.6 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.9 | -34.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A141 A142 T149 | A141-A145 WeakPolarHBondContact O-CB 3.49Å; A141-A145 PolarHBondContact O-N 3.34Å; A142-A145 PolarHBondContact O-N 3.14Å; A145-T149 WeakPolarHBondContact O-CB 3.2Å; A145-T149 PolarHBondContact O-N 2.98Å; A145-T149 PolarHBondContact O-OG1 2.83Å |
| 146 | Y | 77.4 | Confident | 74.1 | Confident | 150 Ų | 150 | 67.8 Ų | 67.8 | 59% | 0.588 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.8 | -56.9 | 171.9 | 179.8 | -85.1 | 0 | 0 | 0 | 111.5 | A142 N143 L144 L148 T149 E150 | A142-Y146 PolarHBondContact O-N 2.76Å; N143-Y146 PolarHBondContact O-N 2.82Å; L144-Y146 VanDerWaalsContact C-N 3.27Å; L144-Y146 PolarHBondContact O-N 2.82Å; Y146-L148 PolarHBondContact O-N 3.04Å; Y146-T149 WeakPolarHBondContact O-CA 3.35Å; Y146-T149 WeakPolarHBondContact O-CB 3.43Å; Y146-T149 PolarHBondContact O-N 2.82Å; Y146-E150 VanDerWaalsContact CE1-OE2 3.28Å; Y146-E150 WeakPolarHBondContact CE1-OE2 3.36Å; Y146-E150 PolarHBondContact O-N 2.68Å |
| 147 | D | 74.8 | Confident | 73.5 | Confident | 19 Ų | 19 | 72.7 Ų | 72.7 | 10% | 0.102 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.8 | -35.4 | -179.3 | -75 | 6.9 | 0 | 0 | 0 | 111.2 | N143 L144 A151 K1729 | N143-D147 PolarHBondContact O-N 3.5Å; L144-D147 PolarHBondContact O-N 2.71Å; D147-A151 WeakPolarHBondContact O-CB 3.49Å; D147-A151 PolarHBondContact O-N 2.76Å; D147-K1729 VanDerWaalsContact CG-NZ 3.27Å; D147-K1729 IonicContact OD1-NZ 2.93Å; D147-K1729 PolarHBondContact OD1-NZ 3.33Å; D147-K1729 IonicContact OD2-NZ 2.78Å; D147-K1729 PolarHBondContact OD2-NZ 2.9Å |
| 148 | L | 71.5 | Confident | 72.3 | Confident | 41 Ų | 41 | 75.3 Ų | 75.3 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.9 | -35.8 | 173.4 | -74.4 | 165.7 | 0 | 0 | 0 | 113.6 | L144 Y146 E152 L231 A235 | L144-L148 HydrophobicContact CD2-CD1 3.84Å; L144-L148 HydrophobicContact CG-CD1 3.9Å; L144-L148 HydrophobicContact CG-CG 4.44Å; L144-L148 VanDerWaalsContact O-CB 3.24Å; L144-L148 WeakPolarHBondContact O-CB 3.36Å; L144-L148 WeakPolarHBondContact O-CD1 3.47Å; L144-L148 WeakPolarHBondContact O-CG 3.25Å; L144-L148 PolarHBondContact O-N 3.41Å; Y146-L148 PolarHBondContact O-N 3.04Å; L148-E152 PolarHBondContact O-N 3.16Å; L148-L231 HydrophobicContact CD2-CD2 3.86Å; L148-A235 HydrophobicContact CD1-CB 3.39Å; L148-A235 HydrophobicContact CD2-CB 4.07Å; L148-A235 HydrophobicContact CG-CB 4.38Å |
| 149 | T | 75.6 | Confident | 71 | Confident | 78 Ų | 78 | 72.2 Ų | 72.2 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.8 | -42.4 | 177.2 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | A145 Y146 A151 E152 E153 | A145-T149 WeakPolarHBondContact O-CB 3.2Å; A145-T149 PolarHBondContact O-N 2.98Å; A145-T149 PolarHBondContact O-OG1 2.83Å; Y146-T149 WeakPolarHBondContact O-CA 3.35Å; Y146-T149 WeakPolarHBondContact O-CB 3.43Å; Y146-T149 PolarHBondContact O-N 2.82Å; T149-A151 VanDerWaalsContact C-N 3.35Å; T149-A151 PolarHBondContact O-N 3.01Å; T149-E152 PolarHBondContact O-N 3.1Å; T149-E153 PolarHBondContact O-N 3.22Å |
| 150 | E | 75.7 | Confident | 69.3 | Low | 109 Ų | 109 | 73 Ų | 73 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 173.4 | -173.6 | 167 | -168.5 | 0 | 0 | 111.2 | Y146 E153 Y154 | Y146-E150 VanDerWaalsContact CE1-OE2 3.28Å; Y146-E150 WeakPolarHBondContact CE1-OE2 3.36Å; Y146-E150 PolarHBondContact O-N 2.68Å; E150-E153 PolarHBondContact O-N 2.94Å; E150-Y154 WeakPolarHBondContact O-CB 3.32Å; E150-Y154 PolarHBondContact O-N 2.9Å |
| 151 | A | 69.6 | Low | 67.8 | Low | 27 Ų | 27 | 76 Ų | 76 | 22% | 0.223 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D147 T149 L155 L231 | D147-A151 WeakPolarHBondContact O-CB 3.49Å; D147-A151 PolarHBondContact O-N 2.76Å; T149-A151 VanDerWaalsContact C-N 3.35Å; T149-A151 PolarHBondContact O-N 3.01Å; A151-L155 PolarHBondContact O-N 3.06Å; A151-L155 VanDerWaalsContact O-N 3.12Å; A151-L231 HydrophobicContact CB-CD1 4.29Å; A151-L231 HydrophobicContact CB-CD2 4.37Å |
| 152 | E | 70.4 | Confident | 66.2 | Low | 42 Ų | 42 | 80.1 Ų | 80.1 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 172.5 | -86 | -140.9 | 169 | 0 | 0 | 112.3 | L148 T149 L155 N156 K228 K232 | L148-E152 PolarHBondContact O-N 3.16Å; T149-E152 PolarHBondContact O-N 3.1Å; E152-L155 PolarHBondContact O-N 3.2Å; E152-N156 WeakPolarHBondContact O-CB 3.3Å; E152-N156 PolarHBondContact O-N 2.69Å; E152-N156 PolarHBondContact O-ND2 2.67Å; E152-N156 VanDerWaalsContact O-ND2 3.09Å; E152-N156 PolarHBondContact O-OD1 3.3Å; E152-K228 VanDerWaalsContact CD-CE 3.4Å; E152-K228 HydrophobicContact CG-CG 4.5Å; E152-K228 VanDerWaalsContact OE1-CE 3.32Å; E152-K228 WeakPolarHBondContact OE1-CE 3.48Å; E152-K228 IonicContact OE1-NZ 2.83Å; E152-K228 WeakPolarHBondContact OE2-CE 3.49Å; E152-K228 IonicContact OE2-NZ 3.19Å; E152-K228 PolarHBondContact OE2-NZ 2.96Å; E152-K232 WeakPolarHBondContact OE1-CE 3.25Å; E152-K232 IonicContact OE1-NZ 3.59Å |
| 153 | E | 71.4 | Confident | 64.1 | Low | 109 Ų | 109 | 85.2 Ų | 85.2 | 51% | 0.509 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 177.4 | -76 | -164.3 | -174.1 | 0 | 0 | 111.7 | T149 E150 L155 N156 Q157 | T149-E153 PolarHBondContact O-N 3.22Å; E150-E153 PolarHBondContact O-N 2.94Å; E153-L155 VanDerWaalsContact C-N 3.32Å; E153-L155 PolarHBondContact O-N 3.15Å; E153-N156 CarbonylContact O-C 3.59Å; E153-N156 WeakPolarHBondContact O-CB 3.43Å; E153-N156 PolarHBondContact O-N 2.79Å; E153-N156 VanDerWaalsContact O-N 3.12Å; E153-Q157 WeakPolarHBondContact O-CG 3.43Å; E153-Q157 PolarHBondContact O-N 3.46Å |
| 154 | Y | 67.1 | Low | 61.9 | Low | 140 Ų | 140 | 88.3 Ų | 88.3 | 55% | 0.549 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 177.3 | -153.7 | -107.9 | 0 | 0 | 0 | 112 | E150 N158 | E150-Y154 WeakPolarHBondContact O-CB 3.32Å; E150-Y154 PolarHBondContact O-N 2.9Å; Y154-N158 PolarHBondContact O-N 2.91Å; Y154-N158 VanDerWaalsContact O-N 3.1Å; Y154-N158 PolarHBondContact O-ND2 3.34Å |
| 155 | L | 64.3 | Low | 59.9 | Low | 48 Ų | 48 | 91 Ų | 91 | 25% | 0.251 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 170.5 | -80.8 | 168.6 | 0 | 0 | 0 | 112.6 | A151 E152 E153 Q157 N158 L159 A227 L231 | A151-L155 PolarHBondContact O-N 3.06Å; A151-L155 VanDerWaalsContact O-N 3.12Å; E152-L155 PolarHBondContact O-N 3.2Å; E153-L155 VanDerWaalsContact C-N 3.32Å; E153-L155 PolarHBondContact O-N 3.15Å; L155-Q157 VanDerWaalsContact C-N 3.35Å; L155-N158 PolarHBondContact O-N 3.47Å; L155-L159 PolarHBondContact O-N 2.83Å; L155-L159 VanDerWaalsContact O-N 3.09Å; L155-A227 HydrophobicContact CD1-CB 4.39Å; L155-A227 HydrophobicContact CD2-CB 4.41Å; L155-L231 HydrophobicContact CD1-CD1 3.41Å; L155-L231 VanDerWaalsContact CD1-CD1 3.41Å |
| 156 | N | 66.3 | Low | 58 | Low | 67 Ų | 67 | 96.6 Ų | 96.6 | 36% | 0.358 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 176.9 | -61.2 | -29.3 | 0 | 0 | 0 | 111.5 | E152 E153 L159 M160 K228 | E152-N156 WeakPolarHBondContact O-CB 3.3Å; E152-N156 PolarHBondContact O-N 2.69Å; E152-N156 PolarHBondContact O-ND2 2.67Å; E152-N156 VanDerWaalsContact O-ND2 3.09Å; E152-N156 PolarHBondContact O-OD1 3.3Å; E153-N156 CarbonylContact O-C 3.59Å; E153-N156 WeakPolarHBondContact O-CB 3.43Å; E153-N156 PolarHBondContact O-N 2.79Å; E153-N156 VanDerWaalsContact O-N 3.12Å; N156-L159 WeakPolarHBondContact O-CB 3.43Å; N156-L159 PolarHBondContact O-N 3.31Å; N156-M160 PolarHBondContact O-N 3.38Å; N156-K228 PolarHBondContact OD1-NZ 3.37Å |
| 157 | Q | 64.7 | Low | 55.6 | Low | 117 Ų | 117 | 96.9 Ų | 96.9 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 176.9 | -71.6 | 179.3 | 36.5 | 0 | 0 | 111.8 | E153 L155 L159 M160 S161 | E153-Q157 WeakPolarHBondContact O-CG 3.43Å; E153-Q157 PolarHBondContact O-N 3.46Å; L155-Q157 VanDerWaalsContact C-N 3.35Å; Q157-L159 VanDerWaalsContact C-N 3.26Å; Q157-L159 PolarHBondContact O-N 3.47Å; Q157-M160 PolarHBondContact O-N 2.88Å; Q157-S161 PolarHBondContact O-N 3.46Å |
| 158 | N | 55.9 | Low | 53.6 | Low | 79 Ų | 79 | 101.2 Ų | 101.2 | 42% | 0.422 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.3 | -20.7 | 175.6 | -78.2 | -69.8 | 0 | 0 | 0 | 113.9 | Y154 L155 S161 N162 | Y154-N158 PolarHBondContact O-N 2.91Å; Y154-N158 VanDerWaalsContact O-N 3.1Å; Y154-N158 PolarHBondContact O-ND2 3.34Å; L155-N158 PolarHBondContact O-N 3.47Å; N158-S161 PolarHBondContact O-OG 3.35Å; N158-N162 PolarHBondContact O-ND2 3.31Å |
| 159 | L | 51.4 | Low | 51.6 | Low | 93 Ų | 93 | 106 Ų | 106 | 49% | 0.487 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71 | -34.8 | 166 | -88.5 | 160.3 | 0 | 0 | 0 | 112.5 | L155 N156 Q157 P224 | L155-L159 PolarHBondContact O-N 2.83Å; L155-L159 VanDerWaalsContact O-N 3.09Å; N156-L159 WeakPolarHBondContact O-CB 3.43Å; N156-L159 PolarHBondContact O-N 3.31Å; Q157-L159 VanDerWaalsContact C-N 3.26Å; Q157-L159 PolarHBondContact O-N 3.47Å; L159-P224 HydrophobicContact CD1-CB 3.86Å; L159-P224 HydrophobicContact CD2-CB 3.86Å; L159-P224 HydrophobicContact CD2-CG 3.87Å; L159-P224 HydrophobicContact CG-CB 3.87Å; L159-P224 HydrophobicContact CG-CG 4.21Å |
| 160 | M | 45.9 | Very low | 49.3 | Very low | 162 Ų | 162 | 112.7 Ų | 112.7 | 80% | 0.798 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -84.4 | -25.4 | -178.8 | -63.2 | -160.1 | 79.6 | 0 | 0 | 114.2 | N156 Q157 N162 | N156-M160 PolarHBondContact O-N 3.38Å; Q157-M160 PolarHBondContact O-N 2.88Å; M160-N162 VanDerWaalsContact C-N 3.26Å; M160-N162 PolarHBondContact O-N 3.42Å |
| 161 | S | 44.8 | Very low | 47 | Very low | 82 Ų | 82 | 117.6 Ų | 117.6 | 57% | 0.573 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -18.7 | 179.9 | 61.2 | 0 | 0 | 0 | 0 | 114.3 | Q157 N158 H163 | Q157-S161 PolarHBondContact O-N 3.46Å; N158-S161 PolarHBondContact O-OG 3.35Å; S161-H163 VanDerWaalsContact C-N 3.33Å; S161-H163 PolarHBondContact O-N 2.98Å |
| 162 | N | 41.8 | Very low | 45 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 68% | 0.679 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 12.9 | -175.6 | -84.1 | -71.1 | 0 | 0 | 0 | 115.6 | N158 M160 | N158-N162 PolarHBondContact O-ND2 3.31Å; M160-N162 VanDerWaalsContact C-N 3.26Å; M160-N162 PolarHBondContact O-N 3.42Å |
| 163 | H | 34.4 | Very low | 43 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 76% | 0.764 | 66% | 0.659 | S | S | * | * | trans | -126.1 | 61.7 | -175.9 | -88.2 | -9.2 | 0 | 0 | 0 | 116.2 | S161 | S161-H163 VanDerWaalsContact C-N 3.33Å; S161-H163 PolarHBondContact O-N 2.98Å | ||
| 164 | N | 30.9 | Very low | 41 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | trans | -145.8 | 101.6 | 147.2 | -88.2 | -54.7 | 0 | 0 | 0 | 109.8 | K167 | N164-K167 WeakPolarHBondContact OD1-CE 3.24Å; N164-K167 PolarHBondContact OD1-NZ 3.49Å | ||
| 165 | G | 31.6 | Very low | 39.1 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -156.2 | -32.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 166 | N | 32 | Very low | 37.3 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 90% | 0.904 | 71% | 0.708 | S | S | * | * | trans | -162.3 | 147.3 | 161.2 | -113.4 | -37.1 | 0 | 0 | 0 | 111.7 | ||||
| 167 | K | 28 | Very low | 35.3 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 68% | 0.683 | 73% | 0.728 | S | S | * | * | trans | -146.6 | 116.9 | -174.9 | -72.8 | 174.9 | -178.5 | 160 | 0 | 112.3 | N164 | N164-K167 WeakPolarHBondContact OD1-CE 3.24Å; N164-K167 PolarHBondContact OD1-NZ 3.49Å | ||
| 168 | S | 32.2 | Very low | 33.4 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | trans | 178.5 | 100.6 | 148.4 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 169 | N | 30.7 | Very low | 31.9 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | 76.6 | 88.7 | 81 | -76.1 | -22.5 | 0 | 0 | 0 | 114.8 | |||||
| 170 | F | 26.6 | Very low | 30.6 | Very low | 220 Ų | 220 | 141.1 Ų | 141.1 | 97% | 0.965 | 77% | 0.768 | S | S | * | * | trans | -100.5 | 122.2 | 140.2 | -120.4 | -88.6 | 0 | 0 | 0 | 108.3 | ||||
| 171 | R | 26.4 | Very low | 29.4 | Very low | 212 Ų | 212 | 140.8 Ų | 140.8 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -104.5 | 147.2 | 175.2 | -79.2 | 171.3 | 156 | 170.4 | -9.3 | 109.3 | ||||
| 172 | K | 29.2 | Very low | 28.4 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | 172.1 | 139.3 | 122.2 | -99.9 | 172.3 | 178.1 | -177 | 0 | 113.9 | |||||
| 173 | L | 27.2 | Very low | 27.7 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | 66.9 | 136.2 | 147.5 | -63.9 | 165 | 0 | 0 | 0 | 117.1 | ||||
| 174 | V | 28.8 | Very low | 27.3 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | cis | -135.4 | 157.7 | 6.9 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 175 | E | 28.1 | Very low | 27.2 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -67 | -177.4 | 173.6 | -55.4 | 122 | 155.8 | 0 | 0 | 114 | ||||
| 176 | S | 25.4 | Very low | 26.8 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | cis | -163.8 | 159.1 | 21.5 | 50 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 177 | G | 25.4 | Very low | 26.6 | Very low | 76 Ų | 76 | 146.8 Ų | 146.8 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | 92.2 | 146.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 178 | S | 24.9 | Very low | 26.6 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | cis | -174 | 147.4 | -15.4 | 46.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 179 | T | 23.6 | Very low | 26.4 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 58.3 | 146 | 158.7 | 43.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 180 | E | 24.4 | Very low | 26.4 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | cis | -143.1 | 157.3 | -3.5 | -96.2 | 153.9 | -164.6 | 0 | 0 | 105.9 | ||||
| 181 | L | 22 | Very low | 26.5 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | cis | 89.2 | 114.2 | 30 | -148.8 | 119.4 | 0 | 0 | 0 | 115.9 | ||||
| 182 | S | 23.7 | Very low | 26.6 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | 76.1 | 158.9 | 164.8 | 94.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 183 | N | 26 | Very low | 26.5 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | cis | -166.1 | 132.5 | -7.8 | -128 | -13.3 | 0 | 0 | 0 | 112.2 | ||||
| 184 | K | 26.5 | Very low | 26.4 | Very low | 200 Ų | 200 | 133.3 Ų | 133.3 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | 169.1 | 161.6 | 126.5 | -95.2 | -173.5 | 177.3 | -177.1 | 0 | 114.2 | |||||
| 185 | P | 28 | Very low | 26.2 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | trans | -121 | 173.8 | -161.7 | 43.8 | -33.2 | 0 | 0 | 0 | 116.8 | ||||
| 186 | N | 24.7 | Very low | 25.9 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -69 | 156.7 | 163.8 | -68.5 | -22.3 | 0 | 0 | 0 | 113.4 | ||||
| 187 | L | 27.1 | Very low | 26.4 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | 171.3 | 133.5 | 157.7 | -95.5 | 155.7 | 0 | 0 | 0 | 105 | ||||
| 188 | I | 28 | Very low | 26.3 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | cis | -147.5 | 130.5 | 24.4 | -94.1 | 157.8 | 0 | 0 | 0 | 107.1 | ||||
| 189 | N | 27.2 | Very low | 26.2 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | 64.4 | 133.6 | 90.6 | -125.2 | -0.3 | 0 | 0 | 0 | 113 | |||||
| 190 | Q | 30.9 | Very low | 26.3 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | cis | -159.2 | 151.7 | 40.7 | -73.6 | -174.3 | -13.5 | 0 | 0 | 114.5 | ||||
| 191 | N | 29.6 | Very low | 26.3 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | trans | 60.8 | 147.9 | 138.5 | -59.3 | -12.1 | 0 | 0 | 0 | 120.3 | ||||
| 192 | L | 28.6 | Very low | 26.4 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | cis | -157.2 | 157.1 | -0.1 | -156.9 | 63.3 | 0 | 0 | 0 | 108.9 | ||||
| 193 | G | 27.2 | Very low | 26.6 | Very low | 51 Ų | 51 | 131.6 Ų | 131.6 | 53% | 0.526 | 75% | 0.746 | S | S | . | * | cis | 158.3 | 97 | -15.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 194 | T | 23.9 | Very low | 26.5 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | 69.3 | 135.8 | 143 | 50.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 195 | V | 24.9 | Very low | 26.4 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | 94.8 | 136.7 | 141.2 | 164.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 196 | S | 22.6 | Very low | 26.2 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -109.1 | -129.4 | 178.4 | 48.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 197 | P | 35.4 | Very low | 26.1 | Very low | 96 Ų | 96 | 130 Ų | 130 | 62% | 0.623 | 74% | 0.735 | S | S | * | * | cis | -134.1 | -157.8 | -28.9 | 22.5 | 4.6 | 0 | 0 | 0 | 113.5 | ||||
| 198 | Q | 23.3 | Very low | 26.1 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | trans | 90.6 | 148.2 | 150.3 | -55.4 | -158.6 | -11.7 | 0 | 0 | 120.5 | ||||
| 199 | T | 23.6 | Very low | 25.9 | Very low | 92 Ų | 92 | 129 Ų | 129 | 56% | 0.564 | 72% | 0.723 | S | S | * | * | cis | -167.6 | 145.3 | -16.5 | 27.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 200 | N | 24.8 | Very low | 25.8 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | trans | 60.1 | 168.6 | 139.8 | -51.3 | -15 | 0 | 0 | 0 | 120 | ||||
| 201 | S | 23.7 | Very low | 25.4 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | cis | -156.2 | 139 | 12.6 | 60.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 202 | S | 23.7 | Very low | 25.1 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | 37 | 144.2 | 138.4 | 66.7 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 203 | V | 28.1 | Very low | 25 | Very low | 143 Ų | 143 | 124.1 Ų | 124.1 | 87% | 0.867 | 72% | 0.718 | S | S | * | * | trans | -167.2 | 161.8 | 130.4 | 134.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 204 | N | 24.6 | Very low | 24.9 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | trans | -116.4 | 162.2 | -168 | -60.9 | -52.5 | 0 | 0 | 0 | 115 | ||||
| 205 | K | 24.2 | Very low | 24.9 | Very low | 181 Ų | 181 | 129.3 Ų | 129.3 | 79% | 0.787 | 72% | 0.717 | S | S | * | * | 159.6 | 138 | 115.6 | -89.6 | -177.5 | 167 | -173.3 | 0 | 116.9 | |||||
| 206 | H | 24.1 | Very low | 25.2 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 73% | 0.731 | 70% | 0.702 | S | S | * | * | trans | 49.7 | 153.4 | 142.3 | -67.7 | -63.6 | 0 | 0 | 0 | 121.6 | ||||
| 207 | S | 23.1 | Very low | 25.5 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 70% | 0.701 | S | S | * | * | cis | 179.6 | 169.5 | -4.8 | 51.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 208 | E | 26 | Very low | 25.1 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 67% | 0.673 | 71% | 0.705 | S | S | * | * | cis | -168.6 | 176.6 | -4.1 | -126 | 177.6 | 72.7 | 0 | 0 | 110.4 | ||||
| 209 | Q | 24 | Very low | 25.4 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | trans | 51.8 | 141.8 | 155.5 | -68.9 | -177 | 50.7 | 0 | 0 | 120.2 | ||||
| 210 | K | 25 | Very low | 25.8 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | cis | -162.8 | 155.6 | 13.2 | -133.3 | 170.7 | -175.5 | 143.1 | 0 | 112.8 | ||||
| 211 | S | 22.8 | Very low | 26.3 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | trans | 22.4 | 143.7 | 143.8 | 60.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 212 | S | 23.7 | Very low | 27 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | cis | 178.6 | 164.9 | 16.8 | 27.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 213 | S | 25.8 | Very low | 28.1 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 66% | 0.664 | 70% | 0.696 | S | S | * | * | cis | -179.1 | 135.6 | -24.2 | 55.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 214 | E | 26.5 | Very low | 29.1 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 65% | 0.645 | 67% | 0.673 | S | S | * | * | trans | 70.6 | 154.6 | 165.3 | -49.3 | -168.1 | 100.2 | 0 | 0 | 117.6 | K216 | E214-K216 IonicContact OE1-NZ 3.24Å; E214-K216 PolarHBondContact OE1-NZ 2.8Å | ||
| 215 | F | 23.7 | Very low | 30.7 | Very low | 161 Ų | 161 | 123.9 Ų | 123.9 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | cis | -132 | 141.9 | 19.6 | -103.2 | -104.5 | 0 | 0 | 0 | 115.9 | ||||
| 216 | K | 30.5 | Very low | 32.5 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 54% | 0.543 | 64% | 0.64 | S | S | . | * | trans | 5.6 | 153.2 | 135.1 | -56.5 | 170.1 | -167.5 | 117 | 0 | 118.7 | E214 | E214-K216 IonicContact OE1-NZ 3.24Å; E214-K216 PolarHBondContact OE1-NZ 2.8Å | ||
| 217 | Q | 28.5 | Very low | 34.4 | Very low | 145 Ų | 145 | 111.6 Ų | 111.6 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | cis | -161 | 175 | 1.1 | -118.6 | 170.7 | -101.4 | 0 | 0 | 106.8 | ||||
| 218 | D | 27.4 | Very low | 36.4 | Very low | 133 Ų | 133 | 109.3 Ų | 109.3 | 71% | 0.711 | 59% | 0.593 | S | S | * | * | cis | -158.5 | -174.5 | 34.8 | -135.9 | -27.1 | 0 | 0 | 0 | 114.4 | ||||
| 219 | K | 30.4 | Very low | 38.5 | Very low | 195 Ų | 195 | 106.4 Ų | 106.4 | 85% | 0.848 | 59% | 0.586 | S | S | * | * | trans | -108.2 | 152.7 | 176.8 | -60.9 | 174.3 | -179 | 175.3 | 0 | 112.9 | ||||
| 220 | S | 31.1 | Very low | 40.7 | Very low | 124 Ų | 124 | 105.2 Ų | 105.2 | 87% | 0.867 | 58% | 0.58 | S | S | * | * | trans | -135.4 | 133.6 | 141.8 | 68.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 221 | S | 35.8 | Very low | 42.8 | Very low | 111 Ų | 111 | 99.2 Ų | 99.2 | 78% | 0.776 | 56% | 0.555 | S | S | * | * | trans | -109.3 | 123.6 | 175.3 | 53.8 | 0 | 0 | 0 | 0 | 108.4 | S223 | S221-S223 PolarHBondContact O-N 3.4Š| ||
| 222 | L | 38.9 | Very low | 45.1 | Very low | 113 Ų | 113 | 100.4 Ų | 100.4 | 59% | 0.592 | 55% | 0.549 | S | S | * | . | trans | -60.1 | 128.4 | -177.9 | -146.8 | 81.4 | 0 | 0 | 0 | 110.5 | T226 | L222-T226 HydrophobicContact CD1-CG2 4.06Å; L222-T226 HydrophobicContact CD2-CG2 3.93Å; L222-T226 HydrophobicContact CG-CG2 3.9Å | ||
| 223 | S | 45.5 | Very low | 47.4 | Very low | 47 Ų | 47 | 99.3 Ų | 99.3 | 33% | 0.329 | 53% | 0.534 | S | S | . | . | trans | -70.3 | 148 | 179.8 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | S221 S225 T226 A227 | S221-S223 PolarHBondContact O-N 3.4Å; S223-S225 PolarHBondContact O-N 2.62Å; S223-S225 VanDerWaalsContact O-N 3.11Å; S223-S225 PolarHBondContact OG-OG 2.83Å; S223-T226 WeakPolarHBondContact O-CB 3.37Å; S223-T226 PolarHBondContact O-N 2.98Å; S223-T226 PolarHBondContact OG-OG1 2.8Å; S223-A227 PolarHBondContact O-N 3.22Å | ||
| 224 | P | 50.1 | Low | 49.5 | Very low | 59 Ų | 59 | 96.8 Ų | 96.8 | 38% | 0.383 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57 | -29.3 | 178 | -29.1 | 37.3 | 0 | 0 | 0 | 113.8 | L159 K228 | L159-P224 HydrophobicContact CD1-CB 3.86Å; L159-P224 HydrophobicContact CD2-CB 3.86Å; L159-P224 HydrophobicContact CD2-CG 3.87Å; L159-P224 HydrophobicContact CG-CB 3.87Å; L159-P224 HydrophobicContact CG-CG 4.21Å; P224-K228 WeakPolarHBondContact O-CB 3.49Å; P224-K228 PolarHBondContact O-N 2.9Å; P224-K228 VanDerWaalsContact O-N 3.1Å |
| 225 | S | 57.6 | Low | 51.6 | Low | 78 Ų | 78 | 91.2 Ų | 91.2 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 171.4 | 42.6 | 0 | 0 | 0 | 0 | 113 | S223 K228 V229 | S223-S225 PolarHBondContact O-N 2.62Å; S223-S225 VanDerWaalsContact O-N 3.11Å; S223-S225 PolarHBondContact OG-OG 2.83Å; S225-K228 PolarHBondContact O-N 3.01Å; S225-V229 WeakPolarHBondContact O-CG2 3.49Å; S225-V229 PolarHBondContact O-N 3.09Å |
| 226 | T | 62.3 | Low | 53.9 | Low | 54 Ų | 54 | 89.4 Ų | 89.4 | 33% | 0.331 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.3 | -40.2 | 179.6 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | L222 S223 K228 V229 Q230 | L222-T226 HydrophobicContact CD1-CG2 4.06Å; L222-T226 HydrophobicContact CD2-CG2 3.93Å; L222-T226 HydrophobicContact CG-CG2 3.9Å; S223-T226 WeakPolarHBondContact O-CB 3.37Å; S223-T226 PolarHBondContact O-N 2.98Å; S223-T226 PolarHBondContact OG-OG1 2.8Å; T226-K228 VanDerWaalsContact C-N 3.33Å; T226-K228 PolarHBondContact O-N 3.25Å; T226-V229 PolarHBondContact O-N 3.05Å; T226-Q230 WeakPolarHBondContact O-CG 3.3Å; T226-Q230 PolarHBondContact O-N 2.95Å |
| 227 | A | 63.3 | Low | 55.9 | Low | 26 Ų | 26 | 86.4 Ų | 86.4 | 22% | 0.215 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L155 S223 Q230 L231 | L155-A227 HydrophobicContact CD1-CB 4.39Å; L155-A227 HydrophobicContact CD2-CB 4.41Å; S223-A227 PolarHBondContact O-N 3.22Å; A227-Q230 PolarHBondContact O-N 3.12Å; A227-L231 PolarHBondContact O-N 2.85Å |
| 228 | K | 65.3 | Low | 58 | Low | 49 Ų | 49 | 81.7 Ų | 81.7 | 21% | 0.213 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 176.1 | -161.1 | 177.5 | -175.8 | 88.5 | 0 | 112.5 | E152 N156 P224 S225 T226 K232 | E152-K228 VanDerWaalsContact CD-CE 3.4Å; E152-K228 HydrophobicContact CG-CG 4.5Å; E152-K228 VanDerWaalsContact OE1-CE 3.32Å; E152-K228 WeakPolarHBondContact OE1-CE 3.48Å; E152-K228 IonicContact OE1-NZ 2.83Å; E152-K228 WeakPolarHBondContact OE2-CE 3.49Å; E152-K228 IonicContact OE2-NZ 3.19Å; E152-K228 PolarHBondContact OE2-NZ 2.96Å; N156-K228 PolarHBondContact OD1-NZ 3.37Å; P224-K228 WeakPolarHBondContact O-CB 3.49Å; P224-K228 PolarHBondContact O-N 2.9Å; P224-K228 VanDerWaalsContact O-N 3.1Å; S225-K228 PolarHBondContact O-N 3.01Å; T226-K228 VanDerWaalsContact C-N 3.33Å; T226-K228 PolarHBondContact O-N 3.25Å; K228-K232 WeakPolarHBondContact O-CG 3.49Å; K228-K232 PolarHBondContact O-N 3.43Å; K228-K232 VanDerWaalsContact O-N 3.12Å |
| 229 | V | 71.5 | Confident | 60.1 | Low | 84 Ų | 84 | 81.2 Ų | 81.2 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 172.8 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | S225 T226 K232 N233 | S225-V229 WeakPolarHBondContact O-CG2 3.49Å; S225-V229 PolarHBondContact O-N 3.09Å; T226-V229 PolarHBondContact O-N 3.05Å; V229-K232 PolarHBondContact O-N 3.16Å; V229-N233 WeakPolarHBondContact O-CB 3.34Å; V229-N233 VanDerWaalsContact O-CG 3.29Å; V229-N233 PolarHBondContact O-N 2.83Å; V229-N233 PolarHBondContact O-ND2 3.1Å |
| 230 | Q | 68.2 | Low | 62.2 | Low | 108 Ų | 108 | 75.8 Ų | 75.8 | 51% | 0.505 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 176.4 | -75.4 | 174.9 | -18.7 | 0 | 0 | 112.2 | T226 A227 N233 A234 | T226-Q230 WeakPolarHBondContact O-CG 3.3Å; T226-Q230 PolarHBondContact O-N 2.95Å; A227-Q230 PolarHBondContact O-N 3.12Å; Q230-N233 PolarHBondContact O-N 2.82Å; Q230-A234 WeakPolarHBondContact O-CB 3.41Å; Q230-A234 PolarHBondContact O-N 3.12Å |
| 231 | L | 70.7 | Confident | 64.3 | Low | 38 Ų | 38 | 72.8 Ų | 72.8 | 20% | 0.199 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 172.8 | -89.5 | 161.4 | 0 | 0 | 0 | 112.3 | L148 A151 L155 A227 N233 A234 A235 | L148-L231 HydrophobicContact CD2-CD2 3.86Å; A151-L231 HydrophobicContact CB-CD1 4.29Å; A151-L231 HydrophobicContact CB-CD2 4.37Å; L155-L231 HydrophobicContact CD1-CD1 3.41Å; L155-L231 VanDerWaalsContact CD1-CD1 3.41Å; A227-L231 PolarHBondContact O-N 2.85Å; L231-N233 VanDerWaalsContact C-N 3.35Å; L231-N233 PolarHBondContact O-N 3.46Å; L231-A234 PolarHBondContact O-N 3.08Å; L231-A235 WeakPolarHBondContact O-CB 3.42Å; L231-A235 PolarHBondContact O-N 3.28Å |
| 232 | K | 70.4 | Confident | 66.2 | Low | 120 Ų | 120 | 68.1 Ų | 68.1 | 52% | 0.522 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65 | -36.1 | 176.4 | -71 | -165.5 | -179.1 | -157.1 | 0 | 113.4 | E152 K228 V229 R236 | E152-K232 WeakPolarHBondContact OE1-CE 3.25Å; E152-K232 IonicContact OE1-NZ 3.59Å; K228-K232 WeakPolarHBondContact O-CG 3.49Å; K228-K232 PolarHBondContact O-N 3.43Å; K228-K232 VanDerWaalsContact O-N 3.12Å; V229-K232 PolarHBondContact O-N 3.16Å; K232-R236 PolarHBondContact O-N 2.54Å |
| 233 | N | 72.5 | Confident | 67.9 | Low | 82 Ų | 82 | 66.5 Ų | 66.5 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 174.7 | -73.4 | -18.5 | 0 | 0 | 0 | 111.6 | V229 Q230 L231 R236 C237 | V229-N233 WeakPolarHBondContact O-CB 3.34Å; V229-N233 VanDerWaalsContact O-CG 3.29Å; V229-N233 PolarHBondContact O-N 2.83Å; V229-N233 PolarHBondContact O-ND2 3.1Å; Q230-N233 PolarHBondContact O-N 2.82Å; L231-N233 VanDerWaalsContact C-N 3.35Å; L231-N233 PolarHBondContact O-N 3.46Å; N233-R236 PolarHBondContact O-N 3.03Å; N233-C237 PolarHBondContact O-N 2.84Å; N233-C237 PolarHBondContact O-SG 3.12Å |
| 234 | A | 70.3 | Confident | 69.2 | Low | 42 Ų | 42 | 68.4 Ų | 68.4 | 35% | 0.347 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q230 L231 C237 L238 | Q230-A234 WeakPolarHBondContact O-CB 3.41Å; Q230-A234 PolarHBondContact O-N 3.12Å; L231-A234 PolarHBondContact O-N 3.08Å; A234-C237 PolarHBondContact O-N 3.35Å; A234-L238 WeakPolarHBondContact O-CB 3.23Å; A234-L238 PolarHBondContact O-N 3.44Å; A234-L238 VanDerWaalsContact O-N 3.11Å |
| 235 | A | 69.8 | Low | 70.3 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 17% | 0.174 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.1 | -51.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L148 L231 C237 L238 E239 | L148-A235 HydrophobicContact CD1-CB 3.39Å; L148-A235 HydrophobicContact CD2-CB 4.07Å; L148-A235 HydrophobicContact CG-CB 4.38Å; L231-A235 WeakPolarHBondContact O-CB 3.42Å; L231-A235 PolarHBondContact O-N 3.28Å; A235-C237 PolarHBondContact O-N 3.11Å; A235-L238 PolarHBondContact O-N 2.99Å; A235-L238 VanDerWaalsContact O-N 3.15Å; A235-E239 PolarHBondContact O-N 2.77Å |
| 236 | R | 71.5 | Confident | 71.2 | Confident | 124 Ų | 124 | 66.5 Ų | 66.5 | 47% | 0.468 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 178.9 | -174.7 | -178.7 | 68.2 | 96.5 | -1.4 | 112.1 | K232 N233 L238 E239 E240 | K232-R236 PolarHBondContact O-N 2.54Å; N233-R236 PolarHBondContact O-N 3.03Å; R236-L238 PolarHBondContact O-N 2.87Å; R236-E239 PolarHBondContact O-N 2.7Å; R236-E240 WeakPolarHBondContact CD-OE1 3.37Å; R236-E240 HydrophobicContact CG-CG 4.38Å; R236-E240 VanDerWaalsContact CG-OE1 3.3Å; R236-E240 WeakPolarHBondContact CG-OE1 3.35Å; R236-E240 IonicContact CZ-OE1 2.81Å; R236-E240 IonicContact CZ-OE2 3.38Å; R236-E240 IonicContact NE-OE1 3.86Å; R236-E240 VanDerWaalsContact NH1-CD 3.31Å; R236-E240 IonicContact NH1-OE1 3.7Å; R236-E240 PolarHBondContact NH1-OE1 3.28Å; R236-E240 IonicContact NH1-OE2 2.69Å; R236-E240 PolarHBondContact NH1-OE2 2.92Å; R236-E240 WeakPolarHBondContact O-CB 3.23Å; R236-E240 WeakPolarHBondContact O-CG 3Å; R236-E240 PolarHBondContact O-N 3.44Å |
| 237 | C | 72.4 | Confident | 71.6 | Confident | 62 Ų | 62 | 69.3 Ų | 69.3 | 42% | 0.419 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.2 | -32.3 | 178.4 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | N233 A234 A235 S241 | N233-C237 PolarHBondContact O-N 2.84Å; N233-C237 PolarHBondContact O-SG 3.12Å; A234-C237 PolarHBondContact O-N 3.35Å; A235-C237 PolarHBondContact O-N 3.11Å; C237-S241 WeakPolarHBondContact O-CB 3.41Å; C237-S241 PolarHBondContact O-N 2.92Å; C237-S241 PolarHBondContact O-OG 3.16Å |
| 238 | L | 73.9 | Confident | 71.7 | Confident | 45 Ų | 45 | 69.2 Ų | 69.2 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -79.5 | -38.1 | 179.2 | -139.7 | 161 | 0 | 0 | 0 | 111.5 | L144 A234 A235 R236 S241 L242 I1730 | L144-L238 HydrophobicContact CD1-CD1 3.75Å; L144-L238 HydrophobicContact CD1-CD2 4.21Å; L144-L238 HydrophobicContact CD2-CB 3.97Å; L144-L238 HydrophobicContact CD2-CD1 4.12Å; L144-L238 HydrophobicContact CD2-CD2 4.05Å; L144-L238 HydrophobicContact CD2-CG 4.26Å; A234-L238 WeakPolarHBondContact O-CB 3.23Å; A234-L238 PolarHBondContact O-N 3.44Å; A234-L238 VanDerWaalsContact O-N 3.11Å; A235-L238 PolarHBondContact O-N 2.99Å; A235-L238 VanDerWaalsContact O-N 3.15Å; R236-L238 PolarHBondContact O-N 2.87Å; L238-S241 WeakPolarHBondContact O-CB 3.5Å; L238-S241 PolarHBondContact O-N 2.87Å; L238-L242 HydrophobicContact CD2-CD1 4.12Å; L238-L242 HydrophobicContact CD2-CG 4.26Å; L238-L242 WeakPolarHBondContact O-CG 3.27Å; L238-L242 PolarHBondContact O-N 3.36Å; L238-I1730 HydrophobicContact CD1-CD1 4.42Å |
| 239 | E | 71.5 | Confident | 71.7 | Confident | 123 Ų | 123 | 69.1 Ų | 69.1 | 58% | 0.575 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.3 | -47 | 169 | -176.2 | 175.3 | -163.7 | 0 | 0 | 111.4 | A235 R236 S241 L242 I243 | A235-E239 PolarHBondContact O-N 2.77Å; R236-E239 PolarHBondContact O-N 2.7Å; E239-S241 VanDerWaalsContact C-N 3.3Å; E239-S241 PolarHBondContact O-N 2.85Å; E239-L242 PolarHBondContact O-N 2.73Å; E239-L242 VanDerWaalsContact O-N 3.16Å; E239-I243 HydrophobicContact CG-CD1 3.97Å; E239-I243 VanDerWaalsContact O-CG1 3.32Å; E239-I243 WeakPolarHBondContact O-CG1 3.1Å; E239-I243 PolarHBondContact O-N 2.96Å |
| 240 | E | 73.5 | Confident | 71.3 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 174.8 | -74.8 | 167.8 | 179.8 | 0 | 0 | 111.9 | R236 I243 L244 | R236-E240 WeakPolarHBondContact CD-OE1 3.37Å; R236-E240 HydrophobicContact CG-CG 4.38Å; R236-E240 VanDerWaalsContact CG-OE1 3.3Å; R236-E240 WeakPolarHBondContact CG-OE1 3.35Å; R236-E240 IonicContact CZ-OE1 2.81Å; R236-E240 IonicContact CZ-OE2 3.38Å; R236-E240 IonicContact NE-OE1 3.86Å; R236-E240 VanDerWaalsContact NH1-CD 3.31Å; R236-E240 IonicContact NH1-OE1 3.7Å; R236-E240 PolarHBondContact NH1-OE1 3.28Å; R236-E240 IonicContact NH1-OE2 2.69Å; R236-E240 PolarHBondContact NH1-OE2 2.92Å; R236-E240 WeakPolarHBondContact O-CB 3.23Å; R236-E240 WeakPolarHBondContact O-CG 3Å; R236-E240 PolarHBondContact O-N 3.44Å; E240-I243 PolarHBondContact O-N 3.27Å; E240-L244 WeakPolarHBondContact O-CB 3.49Å; E240-L244 VanDerWaalsContact O-CG 3.31Å; E240-L244 WeakPolarHBondContact O-CG 3.21Å; E240-L244 PolarHBondContact O-N 3.48Å |
| 241 | S | 75.2 | Confident | 71 | Confident | 61 Ų | 61 | 62.7 Ų | 62.7 | 43% | 0.427 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 173.8 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | C237 L238 E239 L244 L245 | C237-S241 WeakPolarHBondContact O-CB 3.41Å; C237-S241 PolarHBondContact O-N 2.92Å; C237-S241 PolarHBondContact O-OG 3.16Å; L238-S241 WeakPolarHBondContact O-CB 3.5Å; L238-S241 PolarHBondContact O-N 2.87Å; E239-S241 VanDerWaalsContact C-N 3.3Å; E239-S241 PolarHBondContact O-N 2.85Å; S241-L244 PolarHBondContact O-N 3.08Å; S241-L245 WeakPolarHBondContact O-CB 3.42Å; S241-L245 VanDerWaalsContact O-CG 3.26Å; S241-L245 WeakPolarHBondContact O-CG 3.36Å; S241-L245 PolarHBondContact O-N 3.25Å |
| 242 | L | 75.6 | Confident | 70.6 | Confident | 13 Ų | 13 | 67.4 Ų | 67.4 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.1 | -37.5 | 175.9 | -71.4 | 170.2 | 0 | 0 | 0 | 112.2 | I137 I140 A141 L238 E239 L245 D246 | I137-L242 HydrophobicContact CG2-CB 4.28Å; I140-L242 HydrophobicContact CG2-CD1 4.24Å; I140-L242 HydrophobicContact CG2-CD2 4.15Å; A141-L242 HydrophobicContact CB-CD1 4.14Å; L238-L242 HydrophobicContact CD2-CD1 4.12Å; L238-L242 HydrophobicContact CD2-CG 4.26Å; L238-L242 WeakPolarHBondContact O-CG 3.27Å; L238-L242 PolarHBondContact O-N 3.36Å; E239-L242 PolarHBondContact O-N 2.73Å; E239-L242 VanDerWaalsContact O-N 3.16Å; L242-L245 PolarHBondContact O-N 3.36Å; L242-D246 PolarHBondContact O-N 3.13Å; L242-D246 VanDerWaalsContact O-N 3.09Å |
| 243 | I | 75.9 | Confident | 70.6 | Confident | 80 Ų | 80 | 65.6 Ų | 65.6 | 41% | 0.41 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 174.2 | -71.3 | 166.8 | 0 | 0 | 0 | 110.5 | E239 E240 L245 D246 Q247 | E239-I243 HydrophobicContact CG-CD1 3.97Å; E239-I243 VanDerWaalsContact O-CG1 3.32Å; E239-I243 WeakPolarHBondContact O-CG1 3.1Å; E239-I243 PolarHBondContact O-N 2.96Å; E240-I243 PolarHBondContact O-N 3.27Å; I243-L245 VanDerWaalsContact C-N 3.32Å; I243-L245 PolarHBondContact O-N 2.72Å; I243-D246 PolarHBondContact O-N 2.89Å; I243-Q247 HydrophobicContact CG2-CG 4.49Å; I243-Q247 VanDerWaalsContact CG2-NE2 3.34Å; I243-Q247 WeakPolarHBondContact O-CG 3.5Å; I243-Q247 PolarHBondContact O-N 2.85Å |
| 244 | L | 71.9 | Confident | 71.1 | Confident | 86 Ų | 86 | 63.6 Ų | 63.6 | 45% | 0.45 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.6 | -48.1 | 174.2 | -76.5 | 169.2 | 0 | 0 | 0 | 110.3 | E240 S241 D246 Q247 H248 | E240-L244 WeakPolarHBondContact O-CB 3.49Å; E240-L244 VanDerWaalsContact O-CG 3.31Å; E240-L244 WeakPolarHBondContact O-CG 3.21Å; E240-L244 PolarHBondContact O-N 3.48Å; S241-L244 PolarHBondContact O-N 3.08Å; L244-D246 PolarHBondContact O-N 3.34Å; L244-Q247 PolarHBondContact O-N 3.15Å; L244-Q247 VanDerWaalsContact O-N 3.11Å; L244-H248 VanDerWaalsContact O-CB 3.29Å; L244-H248 WeakPolarHBondContact O-CB 3.33Å; L244-H248 PolarHBondContact O-N 2.87Å; L244-H248 VanDerWaalsContact O-N 3.08Å |
| 245 | L | 73.8 | Confident | 72 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 37% | 0.366 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.4 | -37.8 | 177.8 | -76.2 | 168.6 | 0 | 0 | 0 | 113.7 | W133 I137 S241 L242 I243 Y249 | W133-L245 HydrophobicContact CZ2-CB 3.97Å; I137-L245 HydrophobicContact CD1-CB 4.45Å; S241-L245 WeakPolarHBondContact O-CB 3.42Å; S241-L245 VanDerWaalsContact O-CG 3.26Å; S241-L245 WeakPolarHBondContact O-CG 3.36Å; S241-L245 PolarHBondContact O-N 3.25Å; L242-L245 PolarHBondContact O-N 3.36Å; I243-L245 VanDerWaalsContact C-N 3.32Å; I243-L245 PolarHBondContact O-N 2.72Å; L245-Y249 PolarHBondContact O-N 3.48Å; L245-Y249 VanDerWaalsContact O-N 3.11Å |
| 246 | D | 76.4 | Confident | 73.1 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 14% | 0.144 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -74.3 | -35.3 | 172.1 | -172.1 | 56.3 | 0 | 0 | 0 | 113.8 | R129 R134 I137 L242 I243 L244 H248 | R129-D246 VanDerWaalsContact CZ-O 3.31Å; R129-D246 IonicContact CZ-OD1 2.83Å; R129-D246 IonicContact CZ-OD2 3.69Å; R129-D246 PolarHBondContact NE-O 3.13Å; R129-D246 IonicContact NE-OD1 3.9Å; R129-D246 PolarHBondContact NE-OD1 2.83Å; R129-D246 IonicContact NE-OD2 3.86Å; R129-D246 VanDerWaalsContact NH2-CG 3.27Å; R129-D246 PolarHBondContact NH2-O 3.23Å; R129-D246 IonicContact NH2-OD1 3.82Å; R129-D246 PolarHBondContact NH2-OD1 3.13Å; R129-D246 IonicContact NH2-OD2 2.77Å; R129-D246 PolarHBondContact NH2-OD2 2.84Å; R134-D246 WeakPolarHBondContact CG-OD1 3.36Å; R134-D246 IonicContact CZ-OD2 3.76Å; R134-D246 IonicContact NE-OD1 2.56Å; R134-D246 PolarHBondContact NE-OD1 2.87Å; R134-D246 IonicContact NE-OD2 2.99Å; R134-D246 PolarHBondContact NE-OD2 2.87Å; R134-D246 VanDerWaalsContact NE-OD2 3.13Å; R134-D246 IonicContact NH2-OD2 3.64Å; R134-D246 PolarHBondContact NH2-OD2 3.03Å; R134-D246 VanDerWaalsContact NH2-OD2 3.13Å; I137-D246 HydrophobicContact CD1-CB 3.95Å; L242-D246 PolarHBondContact O-N 3.13Å; L242-D246 VanDerWaalsContact O-N 3.09Å; I243-D246 PolarHBondContact O-N 2.89Å; L244-D246 PolarHBondContact O-N 3.34Å; D246-H248 PolarHBondContact O-N 3.42Å |
| 247 | Q | 70.3 | Confident | 74.2 | Confident | 113 Ų | 113 | 57.8 Ų | 57.8 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65 | -22.7 | 176.1 | -71 | -177.9 | 25 | 0 | 0 | 113.3 | I243 L244 N1788 | I243-Q247 HydrophobicContact CG2-CG 4.49Å; I243-Q247 VanDerWaalsContact CG2-NE2 3.34Å; I243-Q247 WeakPolarHBondContact O-CG 3.5Å; I243-Q247 PolarHBondContact O-N 2.85Å; L244-Q247 PolarHBondContact O-N 3.15Å; L244-Q247 VanDerWaalsContact O-N 3.11Å; Q247-N1788 PolarHBondContact O-ND2 3.44Å; Q247-N1788 VanDerWaalsContact O-ND2 3.09Å |
| 248 | H | 65.1 | Low | 75.3 | Confident | 24 Ų | 24 | 54.8 Ų | 54.8 | 11% | 0.111 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -116.7 | -4.2 | -168.2 | -92.9 | -66.6 | 0 | 0 | 0 | 114.9 | L244 D246 S250 C1785 L1786 N1788 | L244-H248 VanDerWaalsContact O-CB 3.29Å; L244-H248 WeakPolarHBondContact O-CB 3.33Å; L244-H248 PolarHBondContact O-N 2.87Å; L244-H248 VanDerWaalsContact O-N 3.08Å; D246-H248 PolarHBondContact O-N 3.42Å; H248-S250 PolarHBondContact O-N 3.29Å; H248-S250 VanDerWaalsContact O-N 3.09Å; H248-C1785 HydrophobicContact CB-CB 3.97Å; H248-C1785 WeakPolarHBondContact CB-O 3.38Å; H248-C1785 VanDerWaalsContact CG-C 3.45Å; H248-C1785 PolarHBondContact ND1-O 3.31Å; H248-C1785 PolarHBondContact O-SG 3.3Å; H248-C1785 VanDerWaalsContact O-SG 3.36Å; H248-L1786 VanDerWaalsContact CE1-C 3.48Å; H248-L1786 VanDerWaalsContact CE1-CA 3.48Å; H248-L1786 WeakPolarHBondContact CE1-CA 3.49Å; H248-L1786 PolarHBondContact ND1-N 3.09Å; H248-N1788 PolarHBondContact CE1-N 3.09Å |
| 249 | Y | 66 | Low | 76.4 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 18% | 0.184 | 27% | 0.27 | C | S | . | . | trans | -45 | 112.5 | 177.4 | 176.2 | -101.8 | 0 | 0 | 0 | 113.3 | N128 R129 W133 L245 P251 | N128-Y249 PolarHBondContact ND2-OH 3.34Å; N128-Y249 PolarHBondContact OD1-OH 2.89Å; R129-Y249 HydrophobicContact CB-CD1 3.84Å; R129-Y249 HydrophobicContact CB-CE1 3.64Å; R129-Y249 HydrophobicContact CG-CD1 3.78Å; R129-Y249 HydrophobicContact CG-CE1 4.06Å; R129-Y249 HydrophobicContact CG-CG 4.36Å; W133-Y249 HydrophobicContact CB-CD2 4.15Å; W133-Y249 HydrophobicContact CB-CE2 3.75Å; W133-Y249 AromaticContact CD1-CD2 3.58Å; W133-Y249 AromaticContact CD1-CG 3.76Å; W133-Y249 AromaticContact CD2-CD2 3.44Å; W133-Y249 HydrophobicContact CD2-CD2 3.44Å; W133-Y249 VanDerWaalsContact CD2-CD2 3.44Å; W133-Y249 AromaticContact CD2-CE2 3.68Å; W133-Y249 HydrophobicContact CD2-CE2 3.68Å; W133-Y249 HydrophobicContact CD2-CG 4.37Å; W133-Y249 AromaticContact CE2-CD2 3.44Å; W133-Y249 VanDerWaalsContact CE2-CD2 3.44Å; W133-Y249 HydrophobicContact CE3-CD2 4.1Å; W133-Y249 HydrophobicContact CE3-CE2 4.07Å; W133-Y249 AromaticContact CG-CD2 3.48Å; W133-Y249 HydrophobicContact CG-CD2 3.48Å; W133-Y249 VanDerWaalsContact CG-CD2 3.48Å; W133-Y249 AromaticContact CG-CE2 3.58Å; W133-Y249 HydrophobicContact CG-CE2 3.58Å; W133-Y249 HydrophobicContact CG-CG 4.09Å; W133-Y249 HydrophobicContact CZ2-CD2 4.03Å; W133-Y249 AromaticContact NE1-CD2 3.53Å; W133-Y249 AromaticContact NE1-CG 3.76Å; L245-Y249 PolarHBondContact O-N 3.48Å; L245-Y249 VanDerWaalsContact O-N 3.11Å; Y249-P251 HydrophobicContact CE1-CB 4.04Å; Y249-P251 HydrophobicContact CE1-CG 3.98Å | ||
| 250 | S | 61.7 | Low | 77.6 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 26% | 0.259 | 24% | 0.242 | S | C | . | . | trans | -114.6 | 117.4 | 162.6 | -169.7 | 0 | 0 | 0 | 0 | 107.8 | H248 D1784 | H248-S250 PolarHBondContact O-N 3.29Å; H248-S250 VanDerWaalsContact O-N 3.09Å; S250-D1784 VanDerWaalsContact CB-CB 3.48Å; S250-D1784 WeakPolarHBondContact CB-OD2 3.41Å; S250-D1784 PolarHBondContact OG-OD2 2.89Å | ||
| 251 | P | 62.6 | Low | 78.6 | Confident | 20 Ų | 20 | 43 Ų | 43 | 13% | 0.13 | 23% | 0.225 | C | C | . | . | trans | -71.2 | 133.2 | 176.6 | 25.2 | -28.4 | 0 | 0 | 0 | 109.9 | R125 Y249 E253 | R125-P251 HydrophobicContact CB-CG 4.3Å; R125-P251 HydrophobicContact CG-CG 3.68Å; Y249-P251 HydrophobicContact CE1-CB 4.04Å; Y249-P251 HydrophobicContact CE1-CG 3.98Å; P251-E253 PolarHBondContact O-N 3.33Å | ||
| 252 | L | 61.6 | Low | 79.6 | Confident | 138 Ų | 138 | 42.6 Ų | 42.6 | 72% | 0.723 | 22% | 0.216 | S | C | * | . | trans | -42.7 | 133.1 | 171.6 | -73.9 | 170 | 0 | 0 | 0 | 110.9 | I254 | L252-I254 PolarHBondContact O-N 3.02Š| ||
| 253 | E | 70.8 | Confident | 80.4 | Confident | 81 Ų | 81 | 43.9 Ų | 43.9 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | trans | -64.4 | 131.9 | -174.5 | -177.5 | 163.6 | -140.6 | 0 | 0 | 111.7 | P111 S113 P251 I255 | P111-E253 VanDerWaalsContact CB-CD 3.49Å; P111-E253 HydrophobicContact CB-CG 4.14Å; P111-E253 WeakPolarHBondContact CB-OE1 3.47Å; S113-E253 WeakPolarHBondContact CB-OE1 3.38Å; S113-E253 PolarHBondContact OG-OE1 2.91Å; P251-E253 PolarHBondContact O-N 3.33Å; E253-I255 HydrophobicContact CG-CG1 4.24Å; E253-I255 PolarHBondContact O-N 3.47Å | ||
| 254 | I | 83.7 | Confident | 81 | Confident | 41 Ų | 41 | 41.9 Ų | 41.9 | 21% | 0.21 | 22% | 0.222 | C | C | . | . | trans | -67.4 | 117.2 | 172.5 | -63.1 | 174.9 | 0 | 0 | 0 | 107.7 | P111 A112 L252 Y256 Y276 | P111-I254 CarbonylContact C-O 3.53Å; P111-I254 WeakPolarHBondContact CA-O 3.37Å; A112-I254 HydrophobicContact CB-CB 3.77Å; A112-I254 HydrophobicContact CB-CG2 3.91Å; A112-I254 WeakPolarHBondContact CB-O 3.48Å; A112-I254 PolarHBondContact N-O 3.38Å; L252-I254 PolarHBondContact O-N 3.02Å; I254-Y256 HydrophobicContact CG2-CD2 4.35Å; I254-Y256 HydrophobicContact CG2-CE1 4.07Å; I254-Y256 HydrophobicContact CG2-CE2 3.64Å; I254-Y256 VanDerWaalsContact CG2-CZ 3.47Å; I254-Y276 HydrophobicContact CB-CE1 4.33Å; I254-Y276 HydrophobicContact CG1-CD1 4.38Å; I254-Y276 HydrophobicContact CG1-CE1 4.07Å; I254-Y276 HydrophobicContact CG2-CD1 4.33Å; I254-Y276 HydrophobicContact CG2-CD2 3.93Å; I254-Y276 HydrophobicContact CG2-CE1 4.06Å; I254-Y276 HydrophobicContact CG2-CE2 3.63Å; I254-Y276 HydrophobicContact CG2-CG 4.27Å | ||
| 255 | I | 89 | Confident | 81.8 | Confident | 60 Ų | 60 | 44.6 Ų | 44.6 | 31% | 0.308 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 118.5 | -179.3 | -61.5 | 170.3 | 0 | 0 | 0 | 108.5 | T88 V109 P111 E253 Y276 | T88-I255 HydrophobicContact CG2-CB 4.45Å; T88-I255 HydrophobicContact CG2-CG2 3.91Å; V109-I255 HydrophobicContact CB-CG2 4.14Å; V109-I255 HydrophobicContact CG1-CG2 4.15Å; P111-I255 HydrophobicContact CB-CG1 4.33Å; E253-I255 HydrophobicContact CG-CG1 4.24Å; E253-I255 PolarHBondContact O-N 3.47Å; I255-Y276 PolarHBondContact N-OH 2.88Å; I255-Y276 PolarHBondContact O-OH 3.41Å |
| 256 | Y | 92.3 | Very high | 82.7 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.9 | 179.2 | -62.4 | -72.5 | 0 | 0 | 0 | 111 | V109 K110 A112 F116 I254 I271 D272 T273 Y276 F300 | V109-Y256 CarbonylContact C-O 3.55Å; V109-Y256 VanDerWaalsContact CA-O 3.31Å; V109-Y256 WeakPolarHBondContact CA-O 3.34Å; K110-Y256 PolarHBondContact N-O 2.93Å; K110-Y256 PolarHBondContact O-N 3.26Å; A112-Y256 HydrophobicContact CB-CE2 4.07Å; F116-Y256 HydrophobicContact CE1-CE2 4.08Å; F116-Y256 AromaticContact CZ-CE2 3.98Å; F116-Y256 HydrophobicContact CZ-CE2 3.98Å; F116-Y256 WeakPolarHBondContact CZ-OH 3.37Å; I254-Y256 HydrophobicContact CG2-CD2 4.35Å; I254-Y256 HydrophobicContact CG2-CE1 4.07Å; I254-Y256 HydrophobicContact CG2-CE2 3.64Å; I254-Y256 VanDerWaalsContact CG2-CZ 3.47Å; Y256-I271 HydrophobicContact CD1-CG2 4.2Å; Y256-I271 HydrophobicContact CG-CG2 3.92Å; Y256-D272 WeakPolarHBondContact CD1-O 3.43Å; Y256-T273 HydrophobicContact CD1-CG2 4.16Å; Y256-T273 HydrophobicContact CE1-CG2 3.85Å; Y256-Y276 HydrophobicContact CD1-CD2 4.14Å; Y256-Y276 HydrophobicContact CD1-CE2 4.18Å; Y256-Y276 AromaticContact CE1-CD2 3.63Å; Y256-Y276 HydrophobicContact CE1-CD2 3.63Å; Y256-Y276 HydrophobicContact CE1-CE2 4.03Å; Y256-F300 HydrophobicContact CD2-CD1 4.22Å; Y256-F300 HydrophobicContact CD2-CE1 4.11Å; Y256-F300 HydrophobicContact CE1-CD1 4.13Å; Y256-F300 AromaticContact CE2-CD1 3.64Å; Y256-F300 HydrophobicContact CE2-CD1 3.64Å; Y256-F300 AromaticContact CE2-CE1 3.91Å; Y256-F300 HydrophobicContact CE2-CE1 3.91Å; Y256-F300 AromaticContact CZ-CD1 3.59Å |
| 257 | D | 94.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 137.2 | 161.7 | -73.3 | -71.6 | 0 | 0 | 0 | 109.4 | T86 L87 T88 R90 V109 F259 D272 | T86-D257 WeakPolarHBondContact CB-OD1 3.48Å; T86-D257 PolarHBondContact OG1-OD2 3.46Å; L87-D257 PolarHBondContact N-OD1 3.47Å; T88-D257 WeakPolarHBondContact CB-OD2 3.49Å; T88-D257 VanDerWaalsContact CG2-OD2 3.26Å; T88-D257 WeakPolarHBondContact CG2-OD2 3.45Å; T88-D257 PolarHBondContact N-OD1 3.3Å; T88-D257 PolarHBondContact OG1-OD2 3.36Å; R90-D257 IonicContact CZ-OD2 2.84Å; R90-D257 IonicContact NE-OD2 3.83Å; R90-D257 PolarHBondContact NE-OD2 2.84Å; R90-D257 IonicContact NH2-OD2 3.12Å; R90-D257 PolarHBondContact NH2-OD2 3.44Å; V109-D257 WeakPolarHBondContact CG1-OD1 3.45Å; D257-F259 HydrophobicContact CB-CE2 4.43Å; D257-F259 HydrophobicContact CB-CZ 4.3Å; D257-D272 HydrophobicContact CB-CB 4.41Å; D257-D272 PolarHBondContact O-N 3.11Å |
| 258 | C | 96.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.6 | 179.3 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | V69 M71 I107 G108 L319 | V69-C258 HydrophobicContact CG1-CB 4.45Å; M71-C258 HydrophobicContact CE-CB 4.19Å; M71-C258 WeakPolarHBondContact CE-O 3.36Å; M71-C258 HydrophobicContact SD-CB 4.41Å; I107-C258 WeakPolarHBondContact CA-O 3.19Å; G108-C258 PolarHBondContact N-O 3.34Å; G108-C258 PolarHBondContact O-N 3.12Å; C258-L319 HydrophobicContact CB-CD2 3.84Å |
| 259 | F | 96.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.8 | 176.6 | -58 | -70.8 | 0 | 0 | 0 | 110.1 | I84 T86 I94 W98 I105 R106 I107 D257 A269 C270 D272 L282 | I84-F259 HydrophobicContact CD1-CE1 3.79Å; T86-F259 HydrophobicContact CG2-CE1 4.26Å; T86-F259 HydrophobicContact CG2-CZ 3.87Å; I94-F259 HydrophobicContact CD1-CE1 4.47Å; W98-F259 HydrophobicContact CH2-CB 4.33Å; W98-F259 AromaticContact CH2-CD2 3.97Å; W98-F259 HydrophobicContact CH2-CD2 3.97Å; W98-F259 HydrophobicContact CH2-CG 4.37Å; W98-F259 HydrophobicContact CZ3-CB 3.89Å; W98-F259 AromaticContact CZ3-CD2 3.97Å; W98-F259 HydrophobicContact CZ3-CD2 3.97Å; W98-F259 AromaticContact CZ3-CG 3.96Å; W98-F259 HydrophobicContact CZ3-CG 3.96Å; I105-F259 HydrophobicContact CG2-CB 4.29Å; I105-F259 HydrophobicContact CG2-CD1 3.94Å; R106-F259 WeakPolarHBondContact O-CA 3.36Å; I107-F259 HydrophobicContact CD1-CE1 4.38Å; I107-F259 HydrophobicContact CG1-CD1 4.16Å; I107-F259 HydrophobicContact CG1-CE1 4.23Å; I107-F259 HydrophobicContact CG2-CD1 4.43Å; I107-F259 HydrophobicContact CG2-CE1 4.2Å; D257-F259 HydrophobicContact CB-CE2 4.43Å; D257-F259 HydrophobicContact CB-CZ 4.3Å; F259-A269 CarbonylContact O-C 3.58Å; F259-A269 VanDerWaalsContact O-CA 3.24Å; F259-A269 WeakPolarHBondContact O-CA 3.46Å; F259-C270 HydrophobicContact CB-CB 4.48Å; F259-C270 PolarHBondContact N-O 2.91Å; F259-C270 PolarHBondContact O-N 3.23Å; F259-D272 HydrophobicContact CE2-CB 4.12Å; F259-L282 HydrophobicContact CD2-CD1 4.33Å; F259-L282 HydrophobicContact CE2-CD1 4.12Å; F259-L282 HydrophobicContact CE2-CD2 3.95Å; F259-L282 HydrophobicContact CZ-CD2 4.49Å |
| 260 | V | 97 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 131.8 | 172 | 165.6 | 0 | 0 | 0 | 0 | 110.2 | M71 R106 W267 V268 A269 I312 L319 | M71-V260 HydrophobicContact CE-CB 3.84Å; M71-V260 HydrophobicContact CE-CG2 3.82Å; M71-V260 HydrophobicContact CG-CB 4.4Å; M71-V260 HydrophobicContact CG-CG2 4.28Å; R106-V260 WeakPolarHBondContact CA-O 3.47Å; R106-V260 HydrophobicContact CB-CB 4.44Å; R106-V260 VanDerWaalsContact CB-O 3.25Å; R106-V260 WeakPolarHBondContact CB-O 3.46Å; R106-V260 PolarHBondContact N-O 2.89Å; R106-V260 PolarHBondContact O-N 2.95Å; V260-W267 HydrophobicContact CG1-CE3 3.66Å; V260-W267 HydrophobicContact CG1-CZ3 4.08Å; V260-V268 WeakPolarHBondContact CA-O 3.5Å; V260-A269 HydrophobicContact CG2-CB 3.73Å; V260-I312 HydrophobicContact CG1-CG2 4.21Å; V260-L319 HydrophobicContact CG2-CB 4.12Å; V260-L319 HydrophobicContact CG2-CD1 4.16Å; V260-L319 HydrophobicContact CG2-CD2 4.18Å; V260-L319 HydrophobicContact CG2-CG 4.39Å |
| 261 | F | 95.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 172.3 | 175.3 | 60.2 | -86.5 | 0 | 0 | 0 | 110.8 | W98 P100 I104 I105 W267 V268 L287 | W98-F261 HydrophobicContact CB-CE1 4.31Å; W98-F261 HydrophobicContact CB-CE2 4.31Å; W98-F261 HydrophobicContact CB-CZ 3.74Å; W98-F261 AromaticContact CD2-CE1 3.68Å; W98-F261 HydrophobicContact CD2-CE1 3.68Å; W98-F261 AromaticContact CD2-CZ 3.77Å; W98-F261 HydrophobicContact CD2-CZ 3.77Å; W98-F261 HydrophobicContact CE3-CD1 4.3Å; W98-F261 AromaticContact CE3-CE1 3.42Å; W98-F261 HydrophobicContact CE3-CE1 3.42Å; W98-F261 VanDerWaalsContact CE3-CE1 3.42Å; W98-F261 AromaticContact CE3-CZ 3.99Å; W98-F261 HydrophobicContact CE3-CZ 3.99Å; W98-F261 HydrophobicContact CG-CE1 4.07Å; W98-F261 AromaticContact CG-CZ 3.66Å; W98-F261 HydrophobicContact CG-CZ 3.66Å; W98-F261 HydrophobicContact CZ3-CE1 4Å; P100-F261 HydrophobicContact CB-CB 4.18Å; P100-F261 HydrophobicContact CB-CD2 3.93Å; P100-F261 HydrophobicContact CB-CG 4.43Å; P100-F261 HydrophobicContact CG-CB 4.48Å; P100-F261 HydrophobicContact CG-CD2 4.27Å; I104-F261 WeakPolarHBondContact O-CB 3.43Å; I105-F261 HydrophobicContact CD1-CD1 4.42Å; I105-F261 HydrophobicContact CG1-CB 4.09Å; I105-F261 HydrophobicContact CG1-CD1 4.16Å; I105-F261 HydrophobicContact CG1-CG 4.25Å; F261-W267 VanDerWaalsContact C-CE3 3.47Å; F261-V268 HydrophobicContact CD1-CG2 4.12Å; F261-V268 HydrophobicContact CD2-CG2 3.64Å; F261-V268 HydrophobicContact CE1-CG2 3.93Å; F261-V268 HydrophobicContact CE2-CG2 3.44Å; F261-V268 VanDerWaalsContact CE2-CG2 3.44Å; F261-V268 HydrophobicContact CG-CG2 3.99Å; F261-V268 HydrophobicContact CZ-CG2 3.6Å; F261-V268 PolarHBondContact N-O 2.82Å; F261-V268 VanDerWaalsContact N-O 3.1Å; F261-V268 WeakPolarHBondContact O-CG2 3.36Å; F261-V268 PolarHBondContact O-N 3.41Å; F261-L287 HydrophobicContact CE1-CD2 3.7Å; F261-L287 HydrophobicContact CZ-CD1 3.95Å; F261-L287 HydrophobicContact CZ-CD2 3.6Å; F261-L287 HydrophobicContact CZ-CG 4.47Å |
| 262 | H | 95 | Very high | 90.8 | Very high | 51 Ų | 51 | 34.7 Ų | 34.7 | 24% | 0.236 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.7 | 173.2 | -164 | -94.7 | 0 | 0 | 0 | 108.7 | P100 P101 G264 E266 W267 | P100-H262 VanDerWaalsContact CA-O 3.3Å; P100-H262 WeakPolarHBondContact CA-O 3.32Å; P100-H262 WeakPolarHBondContact CB-O 3.31Å; P101-H262 VanDerWaalsContact CD-O 3.25Å; P101-H262 WeakPolarHBondContact CD-O 3.15Å; H262-G264 VanDerWaalsContact C-N 3.29Å; H262-G264 PolarHBondContact CE1-O 3.27Å; H262-G264 PolarHBondContact ND1-N 3.25Å; H262-G264 PolarHBondContact O-N 3.03Å; H262-E266 CarbonylContact C-O 3.58Å; H262-E266 WeakPolarHBondContact CA-O 3.4Å; H262-E266 VanDerWaalsContact CD2-C 3.48Å; H262-E266 PolarHBondContact CD2-O 3.1Å; H262-W267 HydrophobicContact CB-CD2 4.36Å; H262-W267 HydrophobicContact CB-CE3 4.3Å; H262-W267 HydrophobicContact CB-CH2 4.33Å; H262-W267 HydrophobicContact CB-CZ2 4.4Å; H262-W267 HydrophobicContact CB-CZ3 4.29Å; H262-W267 AromaticContact CD2-CD1 3.78Å; H262-W267 AromaticContact CD2-CE2 3.83Å; H262-W267 AromaticContact CD2-CG 3.99Å; H262-W267 AromaticContact CD2-NE1 3.67Å |
| 263 | D | 92.1 | Very high | 92.3 | Very high | 40 Ų | 40 | 28.4 Ų | 28.4 | 21% | 0.214 | 15% | 0.149 | C | C | . | . | trans | -79.1 | -13.7 | -175.4 | 70 | 10 | 0 | 0 | 0 | 113.7 | N265 E266 V268 R289 | D263-N265 WeakPolarHBondContact OD1-CA 3.39Å; D263-N265 PolarHBondContact OD1-N 2.88Å; D263-E266 PolarHBondContact N-O 2.94Å; D263-E266 PolarHBondContact OD1-N 3.45Å; D263-V268 HydrophobicContact CB-CG1 4.21Å; D263-V268 HydrophobicContact CB-CG2 4.08Å; D263-R289 IonicContact OD2-CZ 2.65Å; D263-R289 IonicContact OD2-NE 3.37Å; D263-R289 PolarHBondContact OD2-NE 3.14Å; D263-R289 IonicContact OD2-NH2 3.56Å; D263-R289 PolarHBondContact OD2-NH2 2.76Å | ||
| 264 | G | 89.2 | Confident | 93.2 | Very high | 38 Ų | 38 | 25.7 Ų | 25.7 | 39% | 0.392 | 14% | 0.139 | S | C | . | . | S | Bend | trans | 126.4 | -36 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H262 | H262-G264 VanDerWaalsContact C-N 3.29Å; H262-G264 PolarHBondContact CE1-O 3.27Å; H262-G264 PolarHBondContact ND1-N 3.25Å; H262-G264 PolarHBondContact O-N 3.03Å |
| 265 | N | 89.2 | Confident | 93.3 | Very high | 143 Ų | 143 | 26 Ų | 26 | 77% | 0.765 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -106.9 | -40.3 | 177.2 | -60.9 | -29.5 | 0 | 0 | 0 | 111.8 | D263 | D263-N265 WeakPolarHBondContact OD1-CA 3.39Å; D263-N265 PolarHBondContact OD1-N 2.88Å |
| 266 | E | 92.1 | Very high | 93 | Very high | 71 Ų | 71 | 27.5 Ų | 27.5 | 33% | 0.332 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -144.1 | 165 | -167.3 | -90.4 | -66.9 | 173.7 | 0 | 0 | 112.9 | H262 D263 R289 | H262-E266 CarbonylContact C-O 3.58Å; H262-E266 WeakPolarHBondContact CA-O 3.4Å; H262-E266 VanDerWaalsContact CD2-C 3.48Å; H262-E266 PolarHBondContact CD2-O 3.1Å; D263-E266 PolarHBondContact N-O 2.94Å; D263-E266 PolarHBondContact OD1-N 3.45Å; E266-R289 HydrophobicContact CB-CG 4.33Å |
| 267 | W | 94.5 | Very high | 92.6 | Very high | 56 Ų | 56 | 28.7 Ų | 28.7 | 21% | 0.212 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 132.5 | 166 | -72.3 | 91.8 | 0 | 0 | 0 | 110.8 | V260 F261 H262 I312 N315 | V260-W267 HydrophobicContact CG1-CE3 3.66Å; V260-W267 HydrophobicContact CG1-CZ3 4.08Å; F261-W267 VanDerWaalsContact C-CE3 3.47Å; H262-W267 HydrophobicContact CB-CD2 4.36Å; H262-W267 HydrophobicContact CB-CE3 4.3Å; H262-W267 HydrophobicContact CB-CH2 4.33Å; H262-W267 HydrophobicContact CB-CZ2 4.4Å; H262-W267 HydrophobicContact CB-CZ3 4.29Å; H262-W267 AromaticContact CD2-CD1 3.78Å; H262-W267 AromaticContact CD2-CE2 3.83Å; H262-W267 AromaticContact CD2-CG 3.99Å; H262-W267 AromaticContact CD2-NE1 3.67Å; W267-I312 HydrophobicContact CB-CB 4.33Å; W267-I312 HydrophobicContact CB-CD1 3.92Å; W267-I312 HydrophobicContact CB-CG2 3.89Å; W267-I312 HydrophobicContact CG-CG2 4.27Å; W267-N315 WeakPolarHBondContact CH2-O 3.29Å; W267-N315 VanDerWaalsContact CZ2-C 3.46Å; W267-N315 HydrophobicContact CZ2-CB 4.13Å; W267-N315 WeakPolarHBondContact CZ2-O 3.48Å |
| 268 | V | 96 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 148.7 | 176 | -71.4 | 0 | 0 | 0 | 0 | 111 | V260 F261 D263 L287 L288 R289 | V260-V268 WeakPolarHBondContact CA-O 3.5Å; F261-V268 HydrophobicContact CD1-CG2 4.12Å; F261-V268 HydrophobicContact CD2-CG2 3.64Å; F261-V268 HydrophobicContact CE1-CG2 3.93Å; F261-V268 HydrophobicContact CE2-CG2 3.44Å; F261-V268 VanDerWaalsContact CE2-CG2 3.44Å; F261-V268 HydrophobicContact CG-CG2 3.99Å; F261-V268 HydrophobicContact CZ-CG2 3.6Å; F261-V268 PolarHBondContact N-O 2.82Å; F261-V268 VanDerWaalsContact N-O 3.1Å; F261-V268 WeakPolarHBondContact O-CG2 3.36Å; F261-V268 PolarHBondContact O-N 3.41Å; D263-V268 HydrophobicContact CB-CG1 4.21Å; D263-V268 HydrophobicContact CB-CG2 4.08Å; V268-L287 HydrophobicContact CB-CB 4.32Å; V268-L287 HydrophobicContact CB-CD2 4.3Å; V268-L287 HydrophobicContact CG1-CB 4.38Å; V268-L287 HydrophobicContact CG2-CD2 4.19Å; V268-L288 CarbonylContact C-O 3.52Å; V268-L288 WeakPolarHBondContact CA-O 3.38Å; V268-R289 HydrophobicContact CG1-CG 3.72Å |
| 269 | A | 96.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F259 V260 L288 V310 I312 L319 | F259-A269 CarbonylContact O-C 3.58Å; F259-A269 VanDerWaalsContact O-CA 3.24Å; F259-A269 WeakPolarHBondContact O-CA 3.46Å; V260-A269 HydrophobicContact CG2-CB 3.73Å; A269-L288 PolarHBondContact N-O 3.23Å; A269-L288 PolarHBondContact O-N 3.22Å; A269-V310 HydrophobicContact CB-CB 4.43Å; A269-V310 HydrophobicContact CB-CG1 4.24Å; A269-V310 HydrophobicContact CB-CG2 4.21Å; A269-I312 HydrophobicContact CB-CD1 3.92Å; A269-I312 HydrophobicContact CB-CG1 4.48Å; A269-L319 HydrophobicContact CB-CD1 3.66Å |
| 270 | C | 96.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.2 | 166.5 | -173.6 | 0 | 0 | 0 | 0 | 109 | W98 F259 L287 | W98-C270 HydrophobicContact CH2-CB 3.49Å; W98-C270 VanDerWaalsContact CH2-CB 3.49Å; W98-C270 HydrophobicContact CZ2-CB 3.81Å; W98-C270 HydrophobicContact CZ3-CB 4.44Å; F259-C270 HydrophobicContact CB-CB 4.48Å; F259-C270 PolarHBondContact N-O 2.91Å; F259-C270 PolarHBondContact O-N 3.23Å; C270-L287 HydrophobicContact CB-CD2 4.23Å |
| 271 | I | 95.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.1 | 169.4 | -50.2 | -175.2 | 0 | 0 | 0 | 106.5 | Y256 T273 F300 Y308 I321 | Y256-I271 HydrophobicContact CD1-CG2 4.2Å; Y256-I271 HydrophobicContact CG-CG2 3.92Å; I271-T273 PolarHBondContact O-N 2.91Å; I271-T273 VanDerWaalsContact O-N 3.11Å; I271-F300 HydrophobicContact CD1-CE1 4.46Å; I271-F300 HydrophobicContact CG2-CE1 4.43Å; I271-Y308 HydrophobicContact CB-CE2 4.33Å; I271-Y308 HydrophobicContact CD1-CD2 3.65Å; I271-Y308 HydrophobicContact CD1-CE1 4.47Å; I271-Y308 HydrophobicContact CD1-CE2 3.29Å; I271-Y308 HydrophobicContact CD1-CG 4.38Å; I271-Y308 HydrophobicContact CG1-CE2 3.81Å; I271-I321 HydrophobicContact CD1-CB 4.35Å; I271-I321 HydrophobicContact CD1-CD1 3.71Å; I271-I321 HydrophobicContact CD1-CG1 3.68Å; I271-I321 HydrophobicContact CD1-CG2 3.72Å |
| 272 | D | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -81.3 | 94.9 | -173.8 | -174.8 | 14.7 | 0 | 0 | 0 | 112 | R90 Y256 D257 F259 S274 L282 L285 | R90-D272 IonicContact CZ-OD2 2.9Å; R90-D272 VanDerWaalsContact CZ-OD2 3.24Å; R90-D272 IonicContact NH1-OD2 3.35Å; R90-D272 PolarHBondContact NH1-OD2 3Å; R90-D272 IonicContact NH2-OD2 3.27Å; R90-D272 PolarHBondContact NH2-OD2 3.49Å; Y256-D272 WeakPolarHBondContact CD1-O 3.43Å; D257-D272 HydrophobicContact CB-CB 4.41Å; D257-D272 PolarHBondContact O-N 3.11Å; F259-D272 HydrophobicContact CE2-CB 4.12Å; D272-S274 VanDerWaalsContact OD1-CB 3.23Å; D272-S274 WeakPolarHBondContact OD1-CB 3.46Å; D272-S274 PolarHBondContact OD1-N 3.32Å; D272-S274 PolarHBondContact OD1-OG 3.34Å; D272-S274 PolarHBondContact OD2-OG 2.97Å; D272-L282 HydrophobicContact CB-CD1 4.12Å; D272-L285 WeakPolarHBondContact OD1-CD1 3.41Å | ||
| 273 | T | 92.4 | Very high | 89.4 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | trans | -89.8 | -1.4 | 174.7 | 62.4 | 0 | 0 | 0 | 0 | 113.3 | Y256 I271 P275 Y276 N277 L285 F300 | Y256-T273 HydrophobicContact CD1-CG2 4.16Å; Y256-T273 HydrophobicContact CE1-CG2 3.85Å; I271-T273 PolarHBondContact O-N 2.91Å; I271-T273 VanDerWaalsContact O-N 3.11Å; T273-P275 VanDerWaalsContact C-CD 3.46Å; T273-Y276 PolarHBondContact O-N 3.26Å; T273-Y276 VanDerWaalsContact O-N 3.16Å; T273-N277 PolarHBondContact O-N 2.81Å; T273-N277 PolarHBondContact O-ND2 3.35Å; T273-L285 VanDerWaalsContact OG1-CD2 3.31Å; T273-L285 WeakPolarHBondContact OG1-CD2 3.33Å; T273-F300 HydrophobicContact CG2-CD1 4.27Å | ||
| 274 | S | 89.7 | Confident | 89.3 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -57.5 | -39.7 | 179.9 | 67 | 0 | 0 | 0 | 0 | 115.4 | D272 Y276 N277 T280 | D272-S274 VanDerWaalsContact OD1-CB 3.23Å; D272-S274 WeakPolarHBondContact OD1-CB 3.46Å; D272-S274 PolarHBondContact OD1-N 3.32Å; D272-S274 PolarHBondContact OD1-OG 3.34Å; D272-S274 PolarHBondContact OD2-OG 2.97Å; S274-Y276 PolarHBondContact O-N 3.04Å; S274-N277 PolarHBondContact O-N 3.2Å; S274-T280 WeakPolarHBondContact CB-O 3.45Å |
| 275 | P | 85.5 | Confident | 89.5 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -67.5 | -7 | 179.8 | 27.4 | -34.8 | 0 | 0 | 0 | 114 | T273 | T273-P275 VanDerWaalsContact C-CD 3.46Š|
| 276 | Y | 83.6 | Confident | 89.6 | Confident | 91 Ų | 91 | 48.7 Ų | 48.7 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -118.5 | 1.8 | -179.5 | -54 | -68.7 | 0 | 0 | 0 | 113.4 | I254 I255 Y256 T273 S274 | I254-Y276 HydrophobicContact CB-CE1 4.33Å; I254-Y276 HydrophobicContact CG1-CD1 4.38Å; I254-Y276 HydrophobicContact CG1-CE1 4.07Å; I254-Y276 HydrophobicContact CG2-CD1 4.33Å; I254-Y276 HydrophobicContact CG2-CD2 3.93Å; I254-Y276 HydrophobicContact CG2-CE1 4.06Å; I254-Y276 HydrophobicContact CG2-CE2 3.63Å; I254-Y276 HydrophobicContact CG2-CG 4.27Å; I255-Y276 PolarHBondContact N-OH 2.88Å; I255-Y276 PolarHBondContact O-OH 3.41Å; Y256-Y276 HydrophobicContact CD1-CD2 4.14Å; Y256-Y276 HydrophobicContact CD1-CE2 4.18Å; Y256-Y276 AromaticContact CE1-CD2 3.63Å; Y256-Y276 HydrophobicContact CE1-CD2 3.63Å; Y256-Y276 HydrophobicContact CE1-CE2 4.03Å; T273-Y276 PolarHBondContact O-N 3.26Å; T273-Y276 VanDerWaalsContact O-N 3.16Å; S274-Y276 PolarHBondContact O-N 3.04Å |
| 277 | N | 82.9 | Confident | 89.7 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | trans | -133.8 | 100.8 | 178.9 | -67.4 | -88.7 | 0 | 0 | 0 | 108.9 | T273 S274 N279 T280 F300 G301 | T273-N277 PolarHBondContact O-N 2.81Å; T273-N277 PolarHBondContact O-ND2 3.35Å; S274-N277 PolarHBondContact O-N 3.2Å; N277-N279 PolarHBondContact O-N 3.21Å; N277-T280 PolarHBondContact O-N 3.26Å; N277-T280 VanDerWaalsContact O-N 3.11Å; N277-F300 PolarHBondContact ND2-O 3.49Å; N277-G301 WeakPolarHBondContact OD1-CA 3.49Å | ||
| 278 | P | 74.2 | Confident | 89.8 | Confident | 117 Ų | 117 | 44.7 Ų | 44.7 | 76% | 0.76 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.6 | -162.2 | 24.4 | -35 | 0 | 0 | 0 | 115.5 | ||
| 279 | N | 81.8 | Confident | 89.7 | Confident | 158 Ų | 158 | 47.6 Ų | 47.6 | 85% | 0.845 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 12.2 | -179 | -64.3 | -22.7 | 0 | 0 | 0 | 113.3 | N277 | N277-N279 PolarHBondContact O-N 3.21Š|
| 280 | T | 84.3 | Confident | 89.5 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 29% | 0.288 | 26% | 0.262 | S | S | . | . | trans | -129 | 130.4 | -170.1 | -39.6 | 0 | 0 | 0 | 0 | 111.3 | S274 N277 D284 L285 | S274-T280 WeakPolarHBondContact CB-O 3.45Å; N277-T280 PolarHBondContact O-N 3.26Å; N277-T280 VanDerWaalsContact O-N 3.11Å; T280-D284 HydrophobicContact CG2-CB 4.12Å; T280-L285 HydrophobicContact CG2-CD2 3.55Å; T280-L285 HydrophobicContact CG2-CG 4.36Å | ||
| 281 | K | 87.8 | Confident | 89.4 | Confident | 146 Ų | 146 | 48.7 Ų | 48.7 | 64% | 0.635 | 26% | 0.262 | S | S | * | . | trans | -104.5 | 163.3 | 173.8 | -60.6 | 173.1 | -177.7 | 175.2 | 0 | 110.6 | S283 D284 | K281-S283 WeakPolarHBondContact CB-OG 3.45Å; K281-S283 PolarHBondContact O-N 3.43Å; K281-S283 VanDerWaalsContact O-N 3.11Å; K281-D284 WeakPolarHBondContact CB-OD2 3.44Å; K281-D284 PolarHBondContact N-OD2 3.48Å; K281-D284 WeakPolarHBondContact O-CB 3.43Å; K281-D284 PolarHBondContact O-N 3.21Å | ||
| 282 | L | 91.1 | Very high | 89.1 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -56.7 | -27.3 | 174.3 | -175.1 | 61.8 | 0 | 0 | 0 | 113 | V92 I94 P95 W98 F259 D272 D284 L285 | V92-L282 HydrophobicContact CG1-CB 4.33Å; V92-L282 HydrophobicContact CG1-CD2 3.52Å; I94-L282 HydrophobicContact CD1-CD2 4.27Å; P95-L282 HydrophobicContact CG-CB 4.48Å; P95-L282 HydrophobicContact CG-CG 4.15Å; W98-L282 HydrophobicContact CH2-CD1 3.7Å; W98-L282 HydrophobicContact CH2-CD2 4.08Å; W98-L282 HydrophobicContact CH2-CG 3.94Å; W98-L282 HydrophobicContact CZ2-CD1 4.07Å; W98-L282 HydrophobicContact CZ2-CG 4.15Å; W98-L282 HydrophobicContact CZ3-CD2 4.37Å; F259-L282 HydrophobicContact CD2-CD1 4.33Å; F259-L282 HydrophobicContact CE2-CD1 4.12Å; F259-L282 HydrophobicContact CE2-CD2 3.95Å; F259-L282 HydrophobicContact CZ-CD2 4.49Å; D272-L282 HydrophobicContact CB-CD1 4.12Å; L282-D284 PolarHBondContact O-N 3.12Å; L282-L285 HydrophobicContact CD1-CD1 4.06Å |
| 283 | S | 89.5 | Confident | 88.8 | Confident | 51 Ų | 51 | 54.8 Ų | 54.8 | 36% | 0.357 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -63.5 | -20.6 | 173.7 | 47.7 | 0 | 0 | 0 | 0 | 114.7 | P95 H97 K281 | P95-S283 VanDerWaalsContact CG-CA 3.49Å; H97-S283 PolarHBondContact CE1-O 3.44Å; K281-S283 WeakPolarHBondContact CB-OG 3.45Å; K281-S283 PolarHBondContact O-N 3.43Å; K281-S283 VanDerWaalsContact O-N 3.11Å |
| 284 | D | 90.2 | Very high | 88.3 | Confident | 93 Ų | 93 | 57.7 Ų | 57.7 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -105.8 | -5.9 | -168 | -37.8 | -26.9 | 0 | 0 | 0 | 110.8 | T280 K281 L282 | T280-D284 HydrophobicContact CG2-CB 4.12Å; K281-D284 WeakPolarHBondContact CB-OD2 3.44Å; K281-D284 PolarHBondContact N-OD2 3.48Å; K281-D284 WeakPolarHBondContact O-CB 3.43Å; K281-D284 PolarHBondContact O-N 3.21Å; L282-D284 PolarHBondContact O-N 3.12Å |
| 285 | L | 92.2 | Very high | 88.3 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -85.2 | 139.6 | -178.7 | -61.6 | -176.9 | 0 | 0 | 0 | 111.7 | D272 T273 T280 L282 L287 | D272-L285 WeakPolarHBondContact OD1-CD1 3.41Å; T273-L285 VanDerWaalsContact OG1-CD2 3.31Å; T273-L285 WeakPolarHBondContact OG1-CD2 3.33Å; T280-L285 HydrophobicContact CG2-CD2 3.55Å; T280-L285 HydrophobicContact CG2-CG 4.36Å; L282-L285 HydrophobicContact CD1-CD1 4.06Å; L285-L287 PolarHBondContact O-N 3.02Å |
| 286 | P | 92.1 | Very high | 88.6 | Confident | 56 Ų | 56 | 59.1 Ų | 59.1 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | trans | -73.7 | 129.2 | -173.2 | 28.6 | -34.5 | 0 | 0 | 0 | 112.5 | L288 A298 | P286-L288 HydrophobicContact CB-CD2 4.24Å; P286-L288 HydrophobicContact CG-CD2 4.41Å; P286-L288 PolarHBondContact O-N 3.29Å; P286-A298 HydrophobicContact CG-CB 3.69Å | ||
| 287 | L | 94.2 | Very high | 89.1 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | trans | -70.8 | 107.4 | 162.2 | -70.5 | 173.6 | 0 | 0 | 0 | 109.4 | W98 F261 V268 C270 L285 | W98-L287 HydrophobicContact CD2-CD2 4.27Å; W98-L287 HydrophobicContact CZ2-CD2 3.92Å; F261-L287 HydrophobicContact CE1-CD2 3.7Å; F261-L287 HydrophobicContact CZ-CD1 3.95Å; F261-L287 HydrophobicContact CZ-CD2 3.6Å; F261-L287 HydrophobicContact CZ-CG 4.47Å; V268-L287 HydrophobicContact CB-CB 4.32Å; V268-L287 HydrophobicContact CB-CD2 4.3Å; V268-L287 HydrophobicContact CG1-CB 4.38Å; V268-L287 HydrophobicContact CG2-CD2 4.19Å; C270-L287 HydrophobicContact CB-CD2 4.23Å; L285-L287 PolarHBondContact O-N 3.02Å | ||
| 288 | L | 95.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -92.1 | 132.3 | 176.9 | -58.5 | 179.3 | 0 | 0 | 0 | 110.2 | V268 A269 P286 Q296 A298 Y308 V310 | V268-L288 CarbonylContact C-O 3.52Å; V268-L288 WeakPolarHBondContact CA-O 3.38Å; A269-L288 PolarHBondContact N-O 3.23Å; A269-L288 PolarHBondContact O-N 3.22Å; P286-L288 HydrophobicContact CB-CD2 4.24Å; P286-L288 HydrophobicContact CG-CD2 4.41Å; P286-L288 PolarHBondContact O-N 3.29Å; L288-Q296 HydrophobicContact CD2-CB 3.67Å; L288-A298 HydrophobicContact CD1-CB 4.09Å; L288-A298 HydrophobicContact CD2-CB 4.46Å; L288-Y308 HydrophobicContact CD1-CD2 4.08Å; L288-Y308 HydrophobicContact CD1-CE2 3.52Å; L288-V310 HydrophobicContact CB-CG1 4.48Å; L288-V310 HydrophobicContact CB-CG2 3.58Å; L288-V310 HydrophobicContact CD1-CG1 4.09Å; L288-V310 HydrophobicContact CD1-CG2 4.46Å |
| 289 | R | 94.6 | Very high | 90.6 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 173.8 | 164 | -66 | -177.9 | -172.9 | 80.8 | 3 | 109.8 | D263 E266 V268 Y291 N294 V310 | D263-R289 IonicContact OD2-CZ 2.65Å; D263-R289 IonicContact OD2-NE 3.37Å; D263-R289 PolarHBondContact OD2-NE 3.14Å; D263-R289 IonicContact OD2-NH2 3.56Å; D263-R289 PolarHBondContact OD2-NH2 2.76Å; E266-R289 HydrophobicContact CB-CG 4.33Å; V268-R289 HydrophobicContact CG1-CG 3.72Å; R289-Y291 PolarHBondContact O-N 2.93Å; R289-N294 PolarHBondContact NH1-ND2 3.1Å; R289-N294 VanDerWaalsContact NH1-ND2 3.15Å; R289-V310 VanDerWaalsContact O-CG2 3.22Å; R289-V310 WeakPolarHBondContact O-CG2 3.37Å |
| 290 | D | 92.8 | Very high | 91.1 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 11% | 0.112 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -50.3 | 134.6 | 169 | -167.8 | -75 | 0 | 0 | 0 | 110.2 | T292 V293 V310 K311 I312 | D290-T292 PolarHBondContact O-N 3.42Å; D290-T292 WeakPolarHBondContact OD1-CB 3.28Å; D290-T292 PolarHBondContact OD1-N 2.99Å; D290-T292 PolarHBondContact OD1-OG1 2.93Å; D290-V293 HydrophobicContact CB-CG2 4.35Å; D290-V293 PolarHBondContact O-N 2.83Å; D290-V310 WeakPolarHBondContact CA-O 3.34Å; D290-K311 IonicContact OD1-NZ 2.72Å; D290-K311 PolarHBondContact OD1-NZ 3.34Å; D290-K311 VanDerWaalsContact OD2-CA 3.31Å; D290-K311 WeakPolarHBondContact OD2-CA 3.45Å; D290-K311 WeakPolarHBondContact OD2-CD 3.23Å; D290-I312 PolarHBondContact OD2-N 2.93Å |
| 291 | Y | 93.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.2 | -26.1 | -175.3 | -171.6 | -92.1 | 0 | 0 | 0 | 113.2 | I57 M60 R289 V293 H295 Q296 T309 V310 | I57-Y291 HydrophobicContact CG2-CE1 4.04Å; M60-Y291 HydrophobicContact CB-CD1 4.36Å; M60-Y291 HydrophobicContact CG-CD1 4.12Å; M60-Y291 HydrophobicContact CG-CE1 3.92Å; M60-Y291 HydrophobicContact SD-CE1 4.37Å; M60-Y291 HydrophobicContact SD-CE2 4.07Å; R289-Y291 PolarHBondContact O-N 2.93Å; Y291-V293 VanDerWaalsContact C-N 3.27Å; Y291-V293 PolarHBondContact O-N 2.99Å; Y291-H295 AromaticContact CD1-ND1 3.81Å; Y291-H295 HydrophobicContact CE1-CB 4.14Å; Y291-H295 AromaticContact CE1-ND1 3.62Å; Y291-H295 HydrophobicContact CE2-CB 4.15Å; Y291-H295 WeakPolarHBondContact O-CA 3.24Å; Y291-H295 PolarHBondContact O-N 3.22Å; Y291-H295 PolarHBondContact O-ND1 3.47Å; Y291-Q296 WeakPolarHBondContact CD2-O 3.1Å; Y291-T309 HydrophobicContact CD2-CG2 3.44Å; Y291-T309 VanDerWaalsContact CD2-CG2 3.44Å; Y291-T309 HydrophobicContact CE2-CG2 3.67Å; Y291-T309 HydrophobicContact CG-CG2 4.3Å; Y291-V310 PolarHBondContact N-O 2.93Å |
| 292 | T | 89.7 | Confident | 90.8 | Very high | 66 Ų | 66 | 46.4 Ų | 46.4 | 41% | 0.405 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.3 | -22.8 | 176.6 | 52.7 | 0 | 0 | 0 | 0 | 114.8 | D59 D290 | D59-T292 HydrophobicContact CB-CG2 4.21Å; D59-T292 WeakPolarHBondContact OD1-CG2 3.32Å; D59-T292 WeakPolarHBondContact OD2-CG2 3.41Å; D290-T292 PolarHBondContact O-N 3.42Å; D290-T292 WeakPolarHBondContact OD1-CB 3.28Å; D290-T292 PolarHBondContact OD1-N 2.99Å; D290-T292 PolarHBondContact OD1-OG1 2.93Å |
| 293 | V | 87 | Confident | 90.4 | Very high | 64 Ų | 64 | 52.3 Ų | 52.3 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -87.3 | -53.6 | -173.7 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | D290 Y291 | D290-V293 HydrophobicContact CB-CG2 4.35Å; D290-V293 PolarHBondContact O-N 2.83Å; Y291-V293 VanDerWaalsContact C-N 3.27Å; Y291-V293 PolarHBondContact O-N 2.99Å |
| 294 | N | 81.7 | Confident | 90.3 | Very high | 67 Ų | 67 | 50.4 Ų | 50.4 | 36% | 0.358 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -120.8 | -5.6 | -174.5 | -73.3 | -10.5 | 0 | 0 | 0 | 114.3 | R289 Q296 | R289-N294 PolarHBondContact NH1-ND2 3.1Å; R289-N294 VanDerWaalsContact NH1-ND2 3.15Å; N294-Q296 HydrophobicContact CB-CG 3.69Å; N294-Q296 VanDerWaalsContact CB-OE1 3.24Å; N294-Q296 PolarHBondContact ND2-OE1 2.89Å; N294-Q296 PolarHBondContact O-N 3.15Å |
| 295 | H | 90.2 | Very high | 90.3 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 19% | 0.19 | 25% | 0.247 | C | C | . | . | trans | 50.6 | 41.1 | -175.7 | -48.1 | -62.6 | 0 | 0 | 0 | 113.8 | R55 V58 Y291 | R55-H295 VanDerWaalsContact NH1-CB 3.34Å; R55-H295 PolarHBondContact NH1-O 2.82Å; R55-H295 VanDerWaalsContact NH1-O 3.1Å; R55-H295 PolarHBondContact NH2-O 3.03Å; V58-H295 PolarHBondContact O-CE1 3.17Å; V58-H295 VanDerWaalsContact O-CE1 3.24Å; V58-H295 PolarHBondContact O-ND1 3.23Å; Y291-H295 AromaticContact CD1-ND1 3.81Å; Y291-H295 HydrophobicContact CE1-CB 4.14Å; Y291-H295 AromaticContact CE1-ND1 3.62Å; Y291-H295 HydrophobicContact CE2-CB 4.15Å; Y291-H295 WeakPolarHBondContact O-CA 3.24Å; Y291-H295 PolarHBondContact O-N 3.22Å; Y291-H295 PolarHBondContact O-ND1 3.47Å | ||
| 296 | Q | 92.3 | Very high | 90.3 | Very high | 61 Ų | 61 | 47.8 Ų | 47.8 | 29% | 0.285 | 24% | 0.243 | S | C | . | . | trans | -85.8 | 146.3 | 178.7 | -66.2 | 172.5 | -85.7 | 0 | 0 | 111 | L288 Y291 N294 | L288-Q296 HydrophobicContact CD2-CB 3.67Å; Y291-Q296 WeakPolarHBondContact CD2-O 3.1Å; N294-Q296 HydrophobicContact CB-CG 3.69Å; N294-Q296 VanDerWaalsContact CB-OE1 3.24Å; N294-Q296 PolarHBondContact ND2-OE1 2.89Å; N294-Q296 PolarHBondContact O-N 3.15Å | ||
| 297 | Y | 94.1 | Very high | 90.5 | Very high | 100 Ų | 100 | 47.4 Ų | 47.4 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | trans | -140.3 | 161.2 | 176.2 | 58.1 | -94.6 | 0 | 0 | 0 | 109.7 | P42 T43 Y307 Y308 | P42-Y297 HydrophobicContact CB-CD1 4.35Å; P42-Y297 HydrophobicContact CG-CD1 4.29Å; P42-Y297 HydrophobicContact CG-CG 4.07Å; T43-Y297 HydrophobicContact CG2-CD2 4.05Å; T43-Y297 HydrophobicContact CG2-CE2 3.57Å; Y297-Y307 AromaticContact CD2-CD1 3.98Å; Y297-Y307 HydrophobicContact CD2-CD1 3.98Å; Y297-Y307 HydrophobicContact CE2-CD1 4.3Å; Y297-Y308 VanDerWaalsContact CA-O 3.3Å; Y297-Y308 WeakPolarHBondContact CA-O 3.21Å; Y297-Y308 WeakPolarHBondContact CB-O 3.26Å | ||
| 298 | A | 94.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 176.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | P286 L288 Y307 Y308 | P286-A298 HydrophobicContact CG-CB 3.69Å; L288-A298 HydrophobicContact CD1-CB 4.09Å; L288-A298 HydrophobicContact CD2-CB 4.46Å; A298-Y307 CarbonylContact O-C 3.56Å; A298-Y307 VanDerWaalsContact O-CA 3.25Å; A298-Y307 WeakPolarHBondContact O-CA 3.41Å; A298-Y307 WeakPolarHBondContact O-CD1 3.45Å; A298-Y308 HydrophobicContact CB-CE1 3.84Å; A298-Y308 HydrophobicContact CB-CE2 4.1Å; A298-Y308 PolarHBondContact N-O 3.18Å; A298-Y308 PolarHBondContact O-N 2.94Å |
| 299 | S | 93 | Very high | 90.6 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 150.4 | 177.6 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | G301 L306 | S299-G301 PolarHBondContact O-N 3.04Å; S299-G301 PolarHBondContact OG-N 3.41Å; S299-G301 PolarHBondContact OG-O 3.34Å; S299-L306 WeakPolarHBondContact CA-O 3.12Å; S299-L306 PolarHBondContact OG-O 3.17Å |
| 300 | F | 92.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -72.9 | -12.7 | 171.5 | -71.2 | -72.7 | 0 | 0 | 0 | 113.7 | L115 F116 Y256 I271 T273 N277 T304 L306 Y308 I321 T323 | L115-F300 HydrophobicContact CD1-CE1 4.24Å; L115-F300 HydrophobicContact CD1-CZ 3.91Å; F116-F300 HydrophobicContact CD1-CD2 4.49Å; F116-F300 HydrophobicContact CE1-CB 4.21Å; F116-F300 AromaticContact CE1-CD1 3.96Å; F116-F300 HydrophobicContact CE1-CD1 3.96Å; F116-F300 AromaticContact CE1-CD2 3.57Å; F116-F300 HydrophobicContact CE1-CD2 3.57Å; F116-F300 HydrophobicContact CE1-CE1 4.2Å; F116-F300 AromaticContact CE1-CE2 3.82Å; F116-F300 HydrophobicContact CE1-CE2 3.82Å; F116-F300 AromaticContact CE1-CG 3.64Å; F116-F300 HydrophobicContact CE1-CG 3.64Å; F116-F300 HydrophobicContact CE1-CZ 4.15Å; F116-F300 HydrophobicContact CZ-CB 3.79Å; F116-F300 HydrophobicContact CZ-CD1 4.18Å; F116-F300 HydrophobicContact CZ-CD2 4.04Å; F116-F300 AromaticContact CZ-CG 3.74Å; F116-F300 HydrophobicContact CZ-CG 3.74Å; Y256-F300 HydrophobicContact CD2-CD1 4.22Å; Y256-F300 HydrophobicContact CD2-CE1 4.11Å; Y256-F300 HydrophobicContact CE1-CD1 4.13Å; Y256-F300 AromaticContact CE2-CD1 3.64Å; Y256-F300 HydrophobicContact CE2-CD1 3.64Å; Y256-F300 AromaticContact CE2-CE1 3.91Å; Y256-F300 HydrophobicContact CE2-CE1 3.91Å; Y256-F300 AromaticContact CZ-CD1 3.59Å; I271-F300 HydrophobicContact CD1-CE1 4.46Å; I271-F300 HydrophobicContact CG2-CE1 4.43Å; T273-F300 HydrophobicContact CG2-CD1 4.27Å; N277-F300 PolarHBondContact ND2-O 3.49Å; F300-T304 HydrophobicContact CB-CG2 4.15Å; F300-L306 HydrophobicContact CD2-CB 4.15Å; F300-L306 HydrophobicContact CD2-CD2 3.79Å; F300-L306 HydrophobicContact CD2-CG 3.96Å; F300-L306 HydrophobicContact CE2-CD2 4.02Å; F300-L306 HydrophobicContact CE2-CG 4.33Å; F300-L306 PolarHBondContact N-O 2.85Å; F300-L306 VanDerWaalsContact N-O 3.08Å; F300-Y308 HydrophobicContact CD1-CD1 4.06Å; F300-Y308 HydrophobicContact CD1-CE1 4.09Å; F300-Y308 AromaticContact CD2-CD1 3.73Å; F300-Y308 HydrophobicContact CD2-CD1 3.73Å; F300-Y308 HydrophobicContact CD2-CE1 4.47Å; F300-Y308 AromaticContact CE1-CD1 3.84Å; F300-Y308 HydrophobicContact CE1-CD1 3.84Å; F300-Y308 HydrophobicContact CE1-CE1 4.05Å; F300-Y308 HydrophobicContact CE1-CG 4.41Å; F300-Y308 AromaticContact CE2-CD1 3.52Å; F300-Y308 HydrophobicContact CE2-CD1 3.52Å; F300-Y308 HydrophobicContact CE2-CE1 4.46Å; F300-Y308 AromaticContact CE2-CG 3.91Å; F300-Y308 HydrophobicContact CE2-CG 3.91Å; F300-Y308 HydrophobicContact CG-CD1 4.01Å; F300-Y308 HydrophobicContact CG-CE1 4.3Å; F300-Y308 AromaticContact CZ-CD1 3.56Å; F300-Y308 HydrophobicContact CZ-CD1 3.56Å; F300-Y308 HydrophobicContact CZ-CE1 4.24Å; F300-Y308 AromaticContact CZ-CG 3.82Å; F300-Y308 HydrophobicContact CZ-CG 3.82Å; F300-I321 HydrophobicContact CZ-CG2 4.13Å; F300-T323 HydrophobicContact CE2-CG2 4.41Å |
| 301 | G | 85.6 | Confident | 90.7 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | trans | 147.5 | 155.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N277 S299 Q303 T304 Q305 | N277-G301 WeakPolarHBondContact OD1-CA 3.49Å; S299-G301 PolarHBondContact O-N 3.04Å; S299-G301 PolarHBondContact OG-N 3.41Å; S299-G301 PolarHBondContact OG-O 3.34Å; G301-Q303 VanDerWaalsContact C-N 3.27Å; G301-Q303 PolarHBondContact O-N 3.24Å; G301-T304 PolarHBondContact N-OG1 2.96Å; G301-T304 WeakPolarHBondContact O-CB 3.4Å; G301-T304 PolarHBondContact O-N 2.9Å; G301-T304 PolarHBondContact O-OG1 2.94Å; G301-Q305 PolarHBondContact O-N 2.83Å | ||
| 302 | E | 81.4 | Confident | 90.7 | Very high | 167 Ų | 167 | 42.7 Ų | 42.7 | 78% | 0.78 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -32.9 | -172.6 | -64.7 | -170.6 | 148.7 | 0 | 0 | 113.6 | T304 Q305 | E302-T304 VanDerWaalsContact C-N 3.29Å; E302-T304 PolarHBondContact O-N 3.35Å; E302-Q305 WeakPolarHBondContact O-CG 3.41Å; E302-Q305 PolarHBondContact O-NE2 2.65Å |
| 303 | Q | 81.6 | Confident | 90.7 | Very high | 134 Ų | 134 | 40.6 Ų | 40.6 | 63% | 0.626 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -28.1 | 174.6 | -66.4 | 179.6 | -13 | 0 | 0 | 112.9 | R123 G301 | R123-Q303 PolarHBondContact NH1-O 3.44Å; R123-Q303 VanDerWaalsContact NH1-O 3.14Å; R123-Q303 PolarHBondContact NH2-O 3.28Å; G301-Q303 VanDerWaalsContact C-N 3.27Å; G301-Q303 PolarHBondContact O-N 3.24Å |
| 304 | T | 88.3 | Confident | 90.6 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -41.1 | -178.7 | 74.1 | 0 | 0 | 0 | 0 | 111.8 | F116 R123 L124 F300 G301 E302 L306 W561 | F116-T304 HydrophobicContact CE2-CG2 4.3Å; R123-T304 PolarHBondContact NH2-O 3.47Å; L124-T304 HydrophobicContact CD1-CG2 4.23Å; F300-T304 HydrophobicContact CB-CG2 4.15Å; G301-T304 PolarHBondContact N-OG1 2.96Å; G301-T304 WeakPolarHBondContact O-CB 3.4Å; G301-T304 PolarHBondContact O-N 2.9Å; G301-T304 PolarHBondContact O-OG1 2.94Å; E302-T304 VanDerWaalsContact C-N 3.29Å; E302-T304 PolarHBondContact O-N 3.35Å; T304-L306 PolarHBondContact O-N 3.02Å; T304-L306 VanDerWaalsContact O-N 3.12Å; T304-L306 PolarHBondContact OG1-N 3.02Å; T304-L306 VanDerWaalsContact OG1-N 3.12Å; T304-W561 VanDerWaalsContact O-CB 3.23Å; T304-W561 WeakPolarHBondContact O-CB 3.43Å |
| 305 | Q | 89.1 | Confident | 90.9 | Very high | 53 Ų | 53 | 43 Ų | 43 | 25% | 0.248 | 21% | 0.21 | C | C | . | . | trans | 47.7 | 26.6 | -163.9 | -64 | -63.4 | -43.3 | 0 | 0 | 113.3 | G301 E302 Y307 W561 L563 | G301-Q305 PolarHBondContact O-N 2.83Å; E302-Q305 WeakPolarHBondContact O-CG 3.41Å; E302-Q305 PolarHBondContact O-NE2 2.65Å; Q305-Y307 WeakPolarHBondContact O-CD2 3.23Å; Q305-Y307 PolarHBondContact OE1-OH 3.4Å; Q305-W561 PolarHBondContact O-N 2.79Å; Q305-W561 VanDerWaalsContact O-N 3.1Å; Q305-L563 HydrophobicContact CB-CD2 4.46Å; Q305-L563 HydrophobicContact CG-CD2 4.05Å | ||
| 306 | L | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -98.5 | 118.4 | 178.1 | -174.4 | 69.4 | 0 | 0 | 0 | 109.5 | F116 P117 L120 S299 F300 T304 T323 N324 W561 | F116-L306 HydrophobicContact CB-CD2 4.39Å; F116-L306 HydrophobicContact CD1-CD2 3.42Å; F116-L306 VanDerWaalsContact CD1-CD2 3.42Å; F116-L306 HydrophobicContact CD2-CD2 4.45Å; F116-L306 HydrophobicContact CE1-CD2 3.72Å; F116-L306 HydrophobicContact CG-CD2 3.83Å; F116-L306 HydrophobicContact CZ-CD2 4.33Å; P117-L306 HydrophobicContact CG-CD1 4.4Å; L120-L306 HydrophobicContact CD2-CB 3.86Å; L120-L306 HydrophobicContact CD2-CD1 4.46Å; L120-L306 HydrophobicContact CD2-CD2 3.84Å; L120-L306 HydrophobicContact CD2-CG 4.27Å; S299-L306 WeakPolarHBondContact CA-O 3.12Å; S299-L306 PolarHBondContact OG-O 3.17Å; F300-L306 HydrophobicContact CD2-CB 4.15Å; F300-L306 HydrophobicContact CD2-CD2 3.79Å; F300-L306 HydrophobicContact CD2-CG 3.96Å; F300-L306 HydrophobicContact CE2-CD2 4.02Å; F300-L306 HydrophobicContact CE2-CG 4.33Å; F300-L306 PolarHBondContact N-O 2.85Å; F300-L306 VanDerWaalsContact N-O 3.08Å; T304-L306 PolarHBondContact O-N 3.02Å; T304-L306 VanDerWaalsContact O-N 3.12Å; T304-L306 PolarHBondContact OG1-N 3.02Å; T304-L306 VanDerWaalsContact OG1-N 3.12Å; L306-T323 WeakPolarHBondContact CD1-OG1 3.1Å; L306-T323 WeakPolarHBondContact CG-OG1 3.28Å; L306-N324 WeakPolarHBondContact CD1-OD1 3.22Å; L306-W561 HydrophobicContact CB-CB 4.39Å; L306-W561 HydrophobicContact CD1-CB 4.44Å; L306-W561 VanDerWaalsContact CD1-CD1 3.44Å; L306-W561 HydrophobicContact CD1-CG 4.07Å | ||
| 307 | Y | 95.3 | Very high | 90.8 | Very high | 49 Ų | 49 | 44.3 Ų | 44.3 | 19% | 0.192 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 140.2 | -176.9 | -66.6 | -85.9 | 0 | 0 | 0 | 112 | T43 Y297 A298 Q305 T323 | T43-Y307 HydrophobicContact CG2-CD1 3.61Å; T43-Y307 HydrophobicContact CG2-CD2 3.57Å; T43-Y307 HydrophobicContact CG2-CE1 3.78Å; T43-Y307 HydrophobicContact CG2-CE2 3.76Å; T43-Y307 HydrophobicContact CG2-CG 3.5Å; T43-Y307 VanDerWaalsContact CG2-CG 3.5Å; T43-Y307 WeakPolarHBondContact OG1-CD2 3.47Å; T43-Y307 WeakPolarHBondContact OG1-CE2 3.43Å; Y297-Y307 AromaticContact CD2-CD1 3.98Å; Y297-Y307 HydrophobicContact CD2-CD1 3.98Å; Y297-Y307 HydrophobicContact CE2-CD1 4.3Å; A298-Y307 CarbonylContact O-C 3.56Å; A298-Y307 VanDerWaalsContact O-CA 3.25Å; A298-Y307 WeakPolarHBondContact O-CA 3.41Å; A298-Y307 WeakPolarHBondContact O-CD1 3.45Å; Q305-Y307 WeakPolarHBondContact O-CD2 3.23Å; Q305-Y307 PolarHBondContact OE1-OH 3.4Å; Y307-T323 PolarHBondContact O-OG1 3.17Å |
| 308 | Y | 96 | Very high | 90.7 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 158.1 | -179.3 | 71.2 | -92.2 | 0 | 0 | 0 | 112.8 | I271 L288 Y297 A298 F300 I321 V322 | I271-Y308 HydrophobicContact CB-CE2 4.33Å; I271-Y308 HydrophobicContact CD1-CD2 3.65Å; I271-Y308 HydrophobicContact CD1-CE1 4.47Å; I271-Y308 HydrophobicContact CD1-CE2 3.29Å; I271-Y308 HydrophobicContact CD1-CG 4.38Å; I271-Y308 HydrophobicContact CG1-CE2 3.81Å; L288-Y308 HydrophobicContact CD1-CD2 4.08Å; L288-Y308 HydrophobicContact CD1-CE2 3.52Å; Y297-Y308 VanDerWaalsContact CA-O 3.3Å; Y297-Y308 WeakPolarHBondContact CA-O 3.21Å; Y297-Y308 WeakPolarHBondContact CB-O 3.26Å; A298-Y308 HydrophobicContact CB-CE1 3.84Å; A298-Y308 HydrophobicContact CB-CE2 4.1Å; A298-Y308 PolarHBondContact N-O 3.18Å; A298-Y308 PolarHBondContact O-N 2.94Å; F300-Y308 HydrophobicContact CD1-CD1 4.06Å; F300-Y308 HydrophobicContact CD1-CE1 4.09Å; F300-Y308 AromaticContact CD2-CD1 3.73Å; F300-Y308 HydrophobicContact CD2-CD1 3.73Å; F300-Y308 HydrophobicContact CD2-CE1 4.47Å; F300-Y308 AromaticContact CE1-CD1 3.84Å; F300-Y308 HydrophobicContact CE1-CD1 3.84Å; F300-Y308 HydrophobicContact CE1-CE1 4.05Å; F300-Y308 HydrophobicContact CE1-CG 4.41Å; F300-Y308 AromaticContact CE2-CD1 3.52Å; F300-Y308 HydrophobicContact CE2-CD1 3.52Å; F300-Y308 HydrophobicContact CE2-CE1 4.46Å; F300-Y308 AromaticContact CE2-CG 3.91Å; F300-Y308 HydrophobicContact CE2-CG 3.91Å; F300-Y308 HydrophobicContact CG-CD1 4.01Å; F300-Y308 HydrophobicContact CG-CE1 4.3Å; F300-Y308 AromaticContact CZ-CD1 3.56Å; F300-Y308 HydrophobicContact CZ-CD1 3.56Å; F300-Y308 HydrophobicContact CZ-CE1 4.24Å; F300-Y308 AromaticContact CZ-CG 3.82Å; F300-Y308 HydrophobicContact CZ-CG 3.82Å; Y308-I321 HydrophobicContact CD2-CG2 4.3Å; Y308-I321 HydrophobicContact CG-CG2 4.45Å; Y308-V322 CarbonylContact C-O 3.56Å; Y308-V322 VanDerWaalsContact CA-O 3.25Å; Y308-V322 WeakPolarHBondContact CA-O 3.25Å |
| 309 | T | 96.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 175.6 | 168.9 | 83.9 | 0 | 0 | 0 | 0 | 109.7 | M60 Y291 V322 | M60-T309 HydrophobicContact CE-CG2 4.15Å; M60-T309 HydrophobicContact SD-CG2 3.58Å; M60-T309 VanDerWaalsContact SD-CG2 3.58Å; Y291-T309 HydrophobicContact CD2-CG2 3.44Å; Y291-T309 VanDerWaalsContact CD2-CG2 3.44Å; Y291-T309 HydrophobicContact CE2-CG2 3.67Å; Y291-T309 HydrophobicContact CG-CG2 4.3Å; T309-V322 PolarHBondContact N-O 3.01Å; T309-V322 PolarHBondContact O-N 2.98Å |
| 310 | V | 96.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.6 | 177 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | A269 L288 R289 D290 Y291 L319 Q320 | A269-V310 HydrophobicContact CB-CB 4.43Å; A269-V310 HydrophobicContact CB-CG1 4.24Å; A269-V310 HydrophobicContact CB-CG2 4.21Å; L288-V310 HydrophobicContact CB-CG1 4.48Å; L288-V310 HydrophobicContact CB-CG2 3.58Å; L288-V310 HydrophobicContact CD1-CG1 4.09Å; L288-V310 HydrophobicContact CD1-CG2 4.46Å; R289-V310 VanDerWaalsContact O-CG2 3.22Å; R289-V310 WeakPolarHBondContact O-CG2 3.37Å; D290-V310 WeakPolarHBondContact CA-O 3.34Å; Y291-V310 PolarHBondContact N-O 2.93Å; V310-L319 HydrophobicContact CB-CD1 3.9Å; V310-L319 HydrophobicContact CG1-CD1 3.98Å; V310-Q320 WeakPolarHBondContact CA-O 3.45Å |
| 311 | K | 93.7 | Very high | 91 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.013 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.1 | 165.9 | -79.8 | -60.2 | -154.3 | -169.1 | 0 | 108.6 | D59 M60 D290 F313 Q320 V322 | D59-K311 WeakPolarHBondContact OD1-CE 3.42Å; D59-K311 IonicContact OD1-NZ 2.96Å; D59-K311 PolarHBondContact OD1-NZ 3.07Å; D59-K311 IonicContact OD2-NZ 3.29Å; D59-K311 PolarHBondContact OD2-NZ 3.16Å; M60-K311 WeakPolarHBondContact O-CE 3.13Å; D290-K311 IonicContact OD1-NZ 2.72Å; D290-K311 PolarHBondContact OD1-NZ 3.34Å; D290-K311 VanDerWaalsContact OD2-CA 3.31Å; D290-K311 WeakPolarHBondContact OD2-CA 3.45Å; D290-K311 WeakPolarHBondContact OD2-CD 3.23Å; K311-F313 HydrophobicContact CB-CD2 4.46Å; K311-F313 HydrophobicContact CB-CE1 4.3Å; K311-F313 HydrophobicContact CB-CE2 3.67Å; K311-F313 HydrophobicContact CB-CZ 3.58Å; K311-F313 HydrophobicContact CD-CE1 4.38Å; K311-F313 HydrophobicContact CD-CZ 4.06Å; K311-F313 HydrophobicContact CG-CE2 4.36Å; K311-F313 HydrophobicContact CG-CZ 3.88Å; K311-Q320 HydrophobicContact CB-CB 3.93Å; K311-Q320 HydrophobicContact CB-CG 4.28Å; K311-Q320 PolarHBondContact N-O 3.09Å; K311-Q320 PolarHBondContact O-N 3.08Å; K311-V322 HydrophobicContact CG-CG2 4.19Å |
| 312 | I | 92.7 | Very high | 91.5 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 116.9 | -179.4 | -49.8 | 176.4 | 0 | 0 | 0 | 110.8 | V260 W267 A269 D290 L319 | V260-I312 HydrophobicContact CG1-CG2 4.21Å; W267-I312 HydrophobicContact CB-CB 4.33Å; W267-I312 HydrophobicContact CB-CD1 3.92Å; W267-I312 HydrophobicContact CB-CG2 3.89Å; W267-I312 HydrophobicContact CG-CG2 4.27Å; A269-I312 HydrophobicContact CB-CD1 3.92Å; A269-I312 HydrophobicContact CB-CG1 4.48Å; D290-I312 PolarHBondContact OD2-N 2.93Å; I312-L319 HydrophobicContact CG1-CD1 4.19Å |
| 313 | F | 88.8 | Confident | 92.2 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 10% | 0.096 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 166.4 | -172.7 | -52 | -61.8 | 0 | 0 | 0 | 113.2 | K311 N315 G316 K317 L318 Q320 W398 N1145 | K311-F313 HydrophobicContact CB-CD2 4.46Å; K311-F313 HydrophobicContact CB-CE1 4.3Å; K311-F313 HydrophobicContact CB-CE2 3.67Å; K311-F313 HydrophobicContact CB-CZ 3.58Å; K311-F313 HydrophobicContact CD-CE1 4.38Å; K311-F313 HydrophobicContact CD-CZ 4.06Å; K311-F313 HydrophobicContact CG-CE2 4.36Å; K311-F313 HydrophobicContact CG-CZ 3.88Å; F313-N315 VanDerWaalsContact C-N 3.29Å; F313-N315 PolarHBondContact O-N 3.14Å; F313-G316 PolarHBondContact O-N 3.39Å; F313-G316 VanDerWaalsContact O-N 3.13Å; F313-K317 PolarHBondContact O-N 3.03Å; F313-L318 HydrophobicContact CB-CB 4.19Å; F313-L318 HydrophobicContact CB-CD2 4.26Å; F313-L318 HydrophobicContact CB-CG 4.42Å; F313-L318 HydrophobicContact CD2-CD2 3.91Å; F313-L318 HydrophobicContact CD2-CG 4.14Å; F313-L318 PolarHBondContact N-O 3.11Å; F313-L318 PolarHBondContact O-N 3.14Å; F313-Q320 HydrophobicContact CD2-CB 4.47Å; F313-Q320 HydrophobicContact CE2-CB 4Å; F313-W398 AromaticContact CE1-CH2 3.82Å; F313-W398 HydrophobicContact CE1-CH2 3.82Å; F313-W398 AromaticContact CE1-CZ2 3.69Å; F313-W398 HydrophobicContact CE1-CZ2 3.69Å; F313-W398 HydrophobicContact CZ-CH2 4.15Å; F313-W398 AromaticContact CZ-CZ2 3.64Å; F313-W398 HydrophobicContact CZ-CZ2 3.64Å; F313-N1145 WeakPolarHBondContact CB-ND2 3.27Å; F313-N1145 WeakPolarHBondContact CD1-OD1 3.47Å |
| 314 | D | 85.9 | Confident | 92.7 | Very high | 62 Ų | 62 | 23.9 Ų | 23.9 | 33% | 0.332 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 38.6 | 172 | -61.7 | -31.4 | 0 | 0 | 0 | 114.4 | K317 N1145 | D314-K317 HydrophobicContact CB-CB 3.97Å; D314-K317 HydrophobicContact CB-CD 4.27Å; D314-K317 WeakPolarHBondContact O-CB 3.44Å; D314-K317 VanDerWaalsContact O-CD 3.24Å; D314-K317 WeakPolarHBondContact O-CD 3.25Å; D314-K317 WeakPolarHBondContact O-CG 3.41Å; D314-K317 PolarHBondContact O-N 3.35Å; D314-N1145 PolarHBondContact OD1-ND2 2.98Å; D314-N1145 PolarHBondContact OD2-ND2 2.9Å |
| 315 | N | 87.7 | Confident | 92.8 | Very high | 121 Ų | 121 | 23.9 Ų | 23.9 | 65% | 0.647 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 56 | -174.5 | -58.9 | 2.8 | 0 | 0 | 0 | 111.5 | R106 W267 F313 K317 | R106-N315 PolarHBondContact NH2-O 2.98Å; W267-N315 WeakPolarHBondContact CH2-O 3.29Å; W267-N315 VanDerWaalsContact CZ2-C 3.46Å; W267-N315 HydrophobicContact CZ2-CB 4.13Å; W267-N315 WeakPolarHBondContact CZ2-O 3.48Å; F313-N315 VanDerWaalsContact C-N 3.29Å; F313-N315 PolarHBondContact O-N 3.14Å; N315-K317 VanDerWaalsContact C-N 3.27Å; N315-K317 PolarHBondContact O-N 3.41Å |
| 316 | G | 89 | Confident | 92.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | M71 R106 F313 | M71-G316 VanDerWaalsContact CB-O 3.27Å; M71-G316 WeakPolarHBondContact CB-O 3.49Å; R106-G316 WeakPolarHBondContact CD-O 3.31Å; R106-G316 PolarHBondContact NE-O 3.05Å; F313-G316 PolarHBondContact O-N 3.39Å; F313-G316 VanDerWaalsContact O-N 3.13Å |
| 317 | K | 91 | Very high | 92.8 | Very high | 129 Ų | 129 | 23 Ų | 23 | 56% | 0.561 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -24.6 | 179.5 | -65.3 | 170.8 | -164.2 | 165.2 | 0 | 113 | M71 F313 D314 N315 | M71-K317 PolarHBondContact N-O 3.42Å; F313-K317 PolarHBondContact O-N 3.03Å; D314-K317 HydrophobicContact CB-CB 3.97Å; D314-K317 HydrophobicContact CB-CD 4.27Å; D314-K317 WeakPolarHBondContact O-CB 3.44Å; D314-K317 VanDerWaalsContact O-CD 3.24Å; D314-K317 WeakPolarHBondContact O-CD 3.25Å; D314-K317 WeakPolarHBondContact O-CG 3.41Å; D314-K317 PolarHBondContact O-N 3.35Å; N315-K317 VanDerWaalsContact C-N 3.27Å; N315-K317 PolarHBondContact O-N 3.41Å |
| 318 | L | 91.5 | Very high | 92.7 | Very high | 18 Ų | 18 | 22.4 Ų | 22.4 | 9% | 0.094 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 115.7 | 179.3 | 175.1 | 64.6 | 0 | 0 | 0 | 108.4 | D68 K70 F313 | D68-L318 HydrophobicContact CB-CD1 4.08Å; K70-L318 HydrophobicContact CG-CD1 4.43Å; F313-L318 HydrophobicContact CB-CB 4.19Å; F313-L318 HydrophobicContact CB-CD2 4.26Å; F313-L318 HydrophobicContact CB-CG 4.42Å; F313-L318 HydrophobicContact CD2-CD2 3.91Å; F313-L318 HydrophobicContact CD2-CG 4.14Å; F313-L318 PolarHBondContact N-O 3.11Å; F313-L318 PolarHBondContact O-N 3.14Å |
| 319 | L | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 141.9 | 164.2 | 172.1 | 66.6 | 0 | 0 | 0 | 107.1 | V69 M71 C258 V260 A269 V310 I312 I321 | V69-L319 HydrophobicContact CB-CB 4.2Å; V69-L319 PolarHBondContact N-O 3.25Å; V69-L319 PolarHBondContact O-N 3.29Å; M71-L319 HydrophobicContact CG-CB 3.8Å; M71-L319 HydrophobicContact SD-CB 3.85Å; M71-L319 HydrophobicContact SD-CD2 4.23Å; C258-L319 HydrophobicContact CB-CD2 3.84Å; V260-L319 HydrophobicContact CG2-CB 4.12Å; V260-L319 HydrophobicContact CG2-CD1 4.16Å; V260-L319 HydrophobicContact CG2-CD2 4.18Å; V260-L319 HydrophobicContact CG2-CG 4.39Å; A269-L319 HydrophobicContact CB-CD1 3.66Å; V310-L319 HydrophobicContact CB-CD1 3.9Å; V310-L319 HydrophobicContact CG1-CD1 3.98Å; I312-L319 HydrophobicContact CG1-CD1 4.19Å; L319-I321 HydrophobicContact CD2-CG1 4.27Å; L319-I321 HydrophobicContact CG-CG1 4.3Å |
| 320 | Q | 95 | Very high | 92.7 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126 | 167 | 163.4 | 179.7 | 110.8 | 0 | 0 | 108.8 | D62 G67 D68 V310 K311 F313 V322 | D62-Q320 HydrophobicContact CB-CG 4.11Å; D62-Q320 PolarHBondContact O-NE2 3.11Å; D62-Q320 PolarHBondContact O-OE1 3.2Å; G67-Q320 WeakPolarHBondContact O-CA 3.37Å; D68-Q320 PolarHBondContact OD1-NE2 3.37Å; V310-Q320 WeakPolarHBondContact CA-O 3.45Å; K311-Q320 HydrophobicContact CB-CB 3.93Å; K311-Q320 HydrophobicContact CB-CG 4.28Å; K311-Q320 PolarHBondContact N-O 3.09Å; K311-Q320 PolarHBondContact O-N 3.08Å; F313-Q320 HydrophobicContact CD2-CB 4.47Å; F313-Q320 HydrophobicContact CE2-CB 4Å; Q320-V322 HydrophobicContact CG-CG2 4.05Å |
| 321 | I | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119 | -180 | -56.7 | 163.3 | 0 | 0 | 0 | 107.8 | G67 V69 K110 L115 I271 F300 Y308 L319 | G67-I321 WeakPolarHBondContact CA-O 3.41Å; G67-I321 PolarHBondContact O-N 2.98Å; V69-I321 HydrophobicContact CG2-CD1 3.62Å; V69-I321 HydrophobicContact CG2-CG1 4.2Å; K110-I321 HydrophobicContact CB-CD1 4.04Å; K110-I321 HydrophobicContact CG-CD1 4.03Å; L115-I321 HydrophobicContact CD1-CD1 4.27Å; L115-I321 HydrophobicContact CD1-CG2 4.29Å; L115-I321 HydrophobicContact CD2-CB 4.21Å; L115-I321 HydrophobicContact CD2-CG2 4.27Å; I271-I321 HydrophobicContact CD1-CB 4.35Å; I271-I321 HydrophobicContact CD1-CD1 3.71Å; I271-I321 HydrophobicContact CD1-CG1 3.68Å; I271-I321 HydrophobicContact CD1-CG2 3.72Å; F300-I321 HydrophobicContact CZ-CG2 4.13Å; Y308-I321 HydrophobicContact CD2-CG2 4.3Å; Y308-I321 HydrophobicContact CG-CG2 4.45Å; L319-I321 HydrophobicContact CD2-CG1 4.27Å; L319-I321 HydrophobicContact CG-CG1 4.3Å |
| 322 | V | 96.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 113.4 | -175.6 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | M60 D62 Y308 T309 K311 Q320 | M60-V322 HydrophobicContact CB-CG1 4.08Å; M60-V322 HydrophobicContact CE-CG1 4.48Å; D62-V322 HydrophobicContact CB-CG2 4.43Å; Y308-V322 CarbonylContact C-O 3.56Å; Y308-V322 VanDerWaalsContact CA-O 3.25Å; Y308-V322 WeakPolarHBondContact CA-O 3.25Å; T309-V322 PolarHBondContact N-O 3.01Å; T309-V322 PolarHBondContact O-N 2.98Å; K311-V322 HydrophobicContact CG-CG2 4.19Å; Q320-V322 HydrophobicContact CG-CG2 4.05Å |
| 323 | T | 95.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 149.6 | 177.6 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | L115 F300 L306 Y307 K377 | L115-T323 HydrophobicContact CB-CG2 4.13Å; L115-T323 HydrophobicContact CD2-CG2 4.4Å; F300-T323 HydrophobicContact CE2-CG2 4.41Å; L306-T323 WeakPolarHBondContact CD1-OG1 3.1Å; L306-T323 WeakPolarHBondContact CG-OG1 3.28Å; Y307-T323 PolarHBondContact O-OG1 3.17Å; T323-K377 WeakPolarHBondContact O-CD 3.28Å; T323-K377 PolarHBondContact O-NZ 2.86Å |
| 324 | N | 93.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | trans | -75.1 | 148.5 | 178.6 | 70.6 | -43.6 | 0 | 0 | 0 | 112.7 | T38 G39 L306 S326 A559 W561 | T38-N324 CarbonylContact O-C 3.57Å; T38-N324 VanDerWaalsContact O-CA 3.28Å; T38-N324 WeakPolarHBondContact O-CA 3.37Å; G39-N324 WeakPolarHBondContact O-CB 3.48Å; L306-N324 WeakPolarHBondContact CD1-OD1 3.22Å; N324-S326 PolarHBondContact ND2-O 2.89Å; N324-A559 WeakPolarHBondContact ND2-CB 3.41Å; N324-W561 PolarHBondContact ND2-NE1 3.44Å; N324-W561 VanDerWaalsContact ND2-NE1 3.16Å | ||
| 325 | N | 89.6 | Confident | 93.7 | Very high | 9 Ų | 9 | 17 Ų | 17 | 5% | 0.048 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -103.8 | -16.6 | 179.5 | 177.7 | 35.4 | 0 | 0 | 0 | 112.2 | T38 P117 S379 G384 | T38-N325 PolarHBondContact O-N 3.34Å; P117-N325 WeakPolarHBondContact CB-O 3.42Å; N325-S379 WeakPolarHBondContact CB-OG 3.39Å; N325-S379 WeakPolarHBondContact ND2-CB 3.38Å; N325-S379 PolarHBondContact ND2-OG 2.91Å; N325-G384 PolarHBondContact ND2-O 3.11Å |
| 326 | S | 91 | Very high | 94.1 | Very high | 29 Ų | 29 | 11.3 Ų | 11.3 | 20% | 0.203 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -147.6 | 162.8 | 168.4 | -172.1 | 0 | 0 | 0 | 0 | 109.4 | T38 N324 H328 | T38-S326 WeakPolarHBondContact OG1-CB 3.31Å; T38-S326 PolarHBondContact OG1-O 3.46Å; N324-S326 PolarHBondContact ND2-O 2.89Å; S326-H328 PolarHBondContact OG-N 2.91Å |
| 327 | S | 91.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 11.3 Ų | 11.3 | 4% | 0.042 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -74.2 | -13.3 | 169.4 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | G329 T330 H331 Q562 | S327-G329 PolarHBondContact O-N 3.1Å; S327-T330 WeakPolarHBondContact O-CA 3.29Å; S327-T330 VanDerWaalsContact O-CB 3.24Å; S327-T330 WeakPolarHBondContact O-CB 3.46Å; S327-T330 PolarHBondContact O-N 2.9Å; S327-H331 PolarHBondContact O-N 2.91Å; S327-H331 VanDerWaalsContact O-N 3.08Å; S327-Q562 VanDerWaalsContact CB-OE1 3.22Å; S327-Q562 PolarHBondContact OG-NE2 2.91Å; S327-Q562 VanDerWaalsContact OG-NE2 3.13Å; S327-Q562 PolarHBondContact OG-OE1 3.26Å |
| 328 | H | 93.9 | Very high | 94.6 | Very high | 37 Ų | 37 | 5.1 Ų | 5.1 | 17% | 0.171 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -51.1 | -53.2 | -176.5 | -174.6 | -96.5 | 0 | 0 | 0 | 113.1 | D37 T38 S326 T330 H331 V332 S410 S573 | D37-H328 VanDerWaalsContact CG-ND1 3.28Å; D37-H328 IonicContact OD1-CE1 2.75Å; D37-H328 IonicContact OD1-CG 3.23Å; D37-H328 IonicContact OD1-ND1 3.13Å; D37-H328 PolarHBondContact OD1-ND1 3.32Å; D37-H328 IonicContact OD2-CE1 2.73Å; D37-H328 PolarHBondContact OD2-CE1 3.13Å; D37-H328 VanDerWaalsContact OD2-CE1 3.32Å; D37-H328 IonicContact OD2-ND1 3.6Å; D37-H328 PolarHBondContact OD2-ND1 2.7Å; T38-H328 HydrophobicContact CG2-CB 4.44Å; S326-H328 PolarHBondContact OG-N 2.91Å; H328-T330 PolarHBondContact O-N 3.4Å; H328-H331 WeakPolarHBondContact O-CB 3.25Å; H328-H331 PolarHBondContact O-N 2.95Å; H328-H331 VanDerWaalsContact O-N 3.09Å; H328-V332 WeakPolarHBondContact O-CG2 3.24Å; H328-V332 PolarHBondContact O-N 2.83Å; H328-S410 PolarHBondContact CE1-O 2.95Å; H328-S573 VanDerWaalsContact NE2-CB 3.32Å; H328-S573 WeakPolarHBondContact NE2-CB 3.24Å |
| 329 | G | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -60.4 | -28.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D37 T38 S327 A333 | D37-G329 VanDerWaalsContact CG-CA 3.43Å; D37-G329 WeakPolarHBondContact OD1-CA 3.46Å; D37-G329 PolarHBondContact OD1-N 3.16Å; T38-G329 PolarHBondContact OG1-N 2.86Å; S327-G329 PolarHBondContact O-N 3.1Å; G329-A333 VanDerWaalsContact O-CB 3.28Å; G329-A333 WeakPolarHBondContact O-CB 3.33Å; G329-A333 PolarHBondContact O-N 2.85Å |
| 330 | T | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -71.6 | -44.1 | 175.3 | -52.2 | 0 | 0 | 0 | 0 | 111.1 | D41 A44 L47 S327 H328 A333 A334 | D41-T330 HydrophobicContact CB-CG2 4.18Å; D41-T330 PolarHBondContact N-OG1 2.85Å; A44-T330 HydrophobicContact CB-CG2 3.28Å; L47-T330 HydrophobicContact CD1-CG2 3.94Å; S327-T330 WeakPolarHBondContact O-CA 3.29Å; S327-T330 VanDerWaalsContact O-CB 3.24Å; S327-T330 WeakPolarHBondContact O-CB 3.46Å; S327-T330 PolarHBondContact O-N 2.9Å; H328-T330 PolarHBondContact O-N 3.4Å; T330-A333 PolarHBondContact O-N 2.95Å; T330-A334 WeakPolarHBondContact O-CB 3.38Å; T330-A334 PolarHBondContact O-N 3.07Å |
| 331 | H | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 176.3 | -165.9 | -90.5 | 0 | 0 | 0 | 111.4 | S327 H328 A333 A334 I335 A554 T556 S557 I558 S567 L569 | S327-H331 PolarHBondContact O-N 2.91Å; S327-H331 VanDerWaalsContact O-N 3.08Å; H328-H331 WeakPolarHBondContact O-CB 3.25Å; H328-H331 PolarHBondContact O-N 2.95Å; H328-H331 VanDerWaalsContact O-N 3.09Å; H331-A333 PolarHBondContact O-N 2.89Å; H331-A334 PolarHBondContact O-N 2.83Å; H331-A334 VanDerWaalsContact O-N 3.14Å; H331-I335 WeakPolarHBondContact O-CG1 3.49Å; H331-I335 PolarHBondContact O-N 2.93Å; H331-A554 PolarHBondContact CE1-O 2.83Å; H331-A554 VanDerWaalsContact CE1-O 3.25Å; H331-A554 PolarHBondContact NE2-O 3.08Å; H331-T556 PolarHBondContact CD2-O 3.36Å; H331-S557 VanDerWaalsContact CA-O 3.25Å; H331-S557 WeakPolarHBondContact CA-O 3.45Å; H331-S557 PolarHBondContact N-O 3.47Å; H331-I558 HydrophobicContact CB-CG2 4.34Å; H331-S567 PolarHBondContact NE2-O 3.01Å; H331-L569 HydrophobicContact CB-CD1 3.91Å |
| 332 | V | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -55.6 | -46.8 | 174.5 | 167.1 | 0 | 0 | 0 | 0 | 111.8 | V35 H328 I335 A336 N408 M574 P577 | V35-V332 HydrophobicContact CG1-CG1 4.07Å; H328-V332 WeakPolarHBondContact O-CG2 3.24Å; H328-V332 PolarHBondContact O-N 2.83Å; V332-I335 PolarHBondContact O-N 2.95Å; V332-A336 PolarHBondContact O-N 3.25Å; V332-A336 VanDerWaalsContact O-N 3.17Å; V332-N408 WeakPolarHBondContact CG1-ND2 3.4Å; V332-M574 HydrophobicContact CG2-CE 4.12Å; V332-P577 HydrophobicContact CB-CG 4.48Å; V332-P577 HydrophobicContact CG1-CB 4.08Å; V332-P577 HydrophobicContact CG1-CG 4.07Å; V332-P577 WeakPolarHBondContact O-CB 3.15Å |
| 333 | A | 97 | Very high | 90 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.9 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | V35 I40 L47 G329 T330 H331 A336 S337 I373 | V35-A333 HydrophobicContact CG2-CB 4.23Å; I40-A333 HydrophobicContact CD1-CB 3.41Å; I40-A333 VanDerWaalsContact CD1-CB 3.41Å; I40-A333 HydrophobicContact CG1-CB 3.94Å; L47-A333 HydrophobicContact CD1-CB 4.21Å; L47-A333 HydrophobicContact CD2-CB 4.45Å; G329-A333 VanDerWaalsContact O-CB 3.28Å; G329-A333 WeakPolarHBondContact O-CB 3.33Å; G329-A333 PolarHBondContact O-N 2.85Å; T330-A333 PolarHBondContact O-N 2.95Å; H331-A333 PolarHBondContact O-N 2.89Å; A333-A336 PolarHBondContact O-N 3Å; A333-S337 PolarHBondContact O-N 3.46Å; A333-I373 HydrophobicContact CB-CD1 3.96Å |
| 334 | A | 95.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.8 | -42 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L47 T330 H331 A336 S337 A338 G366 T556 | L47-A334 HydrophobicContact CD2-CB 4.43Å; T330-A334 WeakPolarHBondContact O-CB 3.38Å; T330-A334 PolarHBondContact O-N 3.07Å; H331-A334 PolarHBondContact O-N 2.83Å; H331-A334 VanDerWaalsContact O-N 3.14Å; A334-A336 VanDerWaalsContact C-N 3.3Å; A334-A336 PolarHBondContact O-N 3.46Å; A334-S337 PolarHBondContact O-N 2.95Å; A334-A338 HydrophobicContact CB-CB 4.05Å; A334-A338 VanDerWaalsContact O-CB 3.3Å; A334-A338 WeakPolarHBondContact O-CB 3.16Å; A334-A338 PolarHBondContact O-N 3.41Å; A334-G366 WeakPolarHBondContact O-CA 3.31Å; A334-T556 HydrophobicContact CB-CG2 3.81Å; A334-T556 WeakPolarHBondContact CB-OG1 3.29Å |
| 335 | I | 95.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.2 | -46.6 | 171.2 | -62.6 | 166.6 | 0 | 0 | 0 | 110.5 | L9 H331 V332 G366 V367 A554 T556 M574 P577 M578 | L9-I335 HydrophobicContact CD1-CB 4.32Å; L9-I335 HydrophobicContact CD1-CG1 3.99Å; L9-I335 HydrophobicContact CD1-CG2 4.32Å; H331-I335 WeakPolarHBondContact O-CG1 3.49Å; H331-I335 PolarHBondContact O-N 2.93Å; V332-I335 PolarHBondContact O-N 2.95Å; I335-G366 CarbonylContact O-C 3.49Å; I335-G366 VanDerWaalsContact O-CA 3.3Å; I335-G366 WeakPolarHBondContact O-CA 3.38Å; I335-V367 PolarHBondContact O-N 2.92Å; I335-A554 HydrophobicContact CD1-CB 3.83Å; I335-A554 HydrophobicContact CG1-CB 3.95Å; I335-T556 HydrophobicContact CG1-CG2 3.74Å; I335-M574 HydrophobicContact CD1-CB 3.85Å; I335-M574 HydrophobicContact CD1-CG 3.71Å; I335-P577 HydrophobicContact CB-CB 3.99Å; I335-P577 HydrophobicContact CB-CG 3.92Å; I335-P577 HydrophobicContact CD1-CG 3.94Å; I335-P577 HydrophobicContact CG2-CB 3.95Å; I335-P577 HydrophobicContact CG2-CG 3.85Å; I335-M578 HydrophobicContact CG2-CG 3.77Å; I335-M578 HydrophobicContact CG2-SD 4.11Å |
| 336 | A | 96.7 | Very high | 81.9 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I33 V332 A333 A334 V367 A368 P577 | I33-A336 HydrophobicContact CD1-CB 4.23Å; V332-A336 PolarHBondContact O-N 3.25Å; V332-A336 VanDerWaalsContact O-N 3.17Å; A333-A336 PolarHBondContact O-N 3Å; A334-A336 VanDerWaalsContact C-N 3.3Å; A334-A336 PolarHBondContact O-N 3.46Å; A336-V367 PolarHBondContact O-N 3.44Å; A336-A368 PolarHBondContact O-N 3.26Å; A336-P577 HydrophobicContact CB-CB 3.9Å |
| 337 | S | 96.1 | Very high | 79 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -160.5 | 21.8 | -165.6 | 64 | 0 | 0 | 0 | 0 | 117.5 | K56 A333 A334 A368 I373 | K56-S337 VanDerWaalsContact CE-O 3.29Å; K56-S337 WeakPolarHBondContact CE-O 3.39Å; K56-S337 PolarHBondContact NZ-O 2.91Å; A333-S337 PolarHBondContact O-N 3.46Å; A334-S337 PolarHBondContact O-N 2.95Å; S337-A368 WeakPolarHBondContact CA-O 3.26Å; S337-A368 WeakPolarHBondContact CB-O 3.48Å; S337-I373 WeakPolarHBondContact OG-CD1 3.48Å; S337-I373 VanDerWaalsContact OG-CG1 3.26Å; S337-I373 WeakPolarHBondContact OG-CG1 2.95Å |
| 338 | A | 94 | Very high | 76 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -57.1 | 150.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G46 L47 A334 F340 D365 G366 | G46-A338 CarbonylContact O-C 3.56Å; G46-A338 WeakPolarHBondContact O-CA 3.22Å; L47-A338 HydrophobicContact CD2-CB 4.31Å; A334-A338 HydrophobicContact CB-CB 4.05Å; A334-A338 VanDerWaalsContact O-CB 3.3Å; A334-A338 WeakPolarHBondContact O-CB 3.16Å; A334-A338 PolarHBondContact O-N 3.41Å; A338-F340 HydrophobicContact CB-CD2 4.39Å; A338-F340 HydrophobicContact CB-CE2 3.66Å; A338-F340 HydrophobicContact CB-CZ 4.32Å; A338-D365 WeakPolarHBondContact O-CA 3.44Å; A338-G366 PolarHBondContact O-N 2.93Å | ||
| 339 | Y | 93.4 | Very high | 73 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 19% | 0.192 | 29% | 0.293 | C | S | . | . | trans | -138 | 124.5 | 172 | 169.4 | -120.7 | 0 | 0 | 0 | 110.3 | G46 I49 T50 P51 P341 D365 P369 | G46-Y339 VanDerWaalsContact CA-O 3.28Å; G46-Y339 WeakPolarHBondContact CA-O 3.4Å; G46-Y339 PolarHBondContact O-N 3.05Å; I49-Y339 HydrophobicContact CG1-CD1 4.32Å; T50-Y339 VanDerWaalsContact C-CD1 3.45Å; P51-Y339 HydrophobicContact CB-CE1 4.35Å; P51-Y339 HydrophobicContact CB-CE2 4.45Å; P51-Y339 HydrophobicContact CG-CD1 4.1Å; P51-Y339 HydrophobicContact CG-CD2 3.83Å; P51-Y339 HydrophobicContact CG-CE1 4.16Å; P51-Y339 HydrophobicContact CG-CE2 3.91Å; P51-Y339 HydrophobicContact CG-CG 3.93Å; Y339-P341 HydrophobicContact CD1-CG 4.32Å; Y339-P341 HydrophobicContact CE1-CB 4.45Å; Y339-P341 HydrophobicContact CE1-CG 3.91Å; Y339-P341 WeakPolarHBondContact O-CD 3.48Å; Y339-D365 WeakPolarHBondContact CA-OD1 3.5Å; Y339-P369 HydrophobicContact CD2-CB 4.24Å; Y339-P369 HydrophobicContact CG-CB 4.47Å | ||
| 340 | F | 89.5 | Confident | 70 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 10% | 0.101 | 34% | 0.336 | C | S | . | . | trans | -109.4 | 102.7 | -177.3 | -66.4 | -92.9 | 0 | 0 | 0 | 109.9 | A45 A338 N342 R364 D365 | A45-F340 HydrophobicContact CB-CE1 3.9Å; A45-F340 WeakPolarHBondContact O-CE1 3.39Å; A45-F340 VanDerWaalsContact O-CZ 3.31Å; A45-F340 WeakPolarHBondContact O-CZ 3.25Å; A338-F340 HydrophobicContact CB-CD2 4.39Å; A338-F340 HydrophobicContact CB-CE2 3.66Å; A338-F340 HydrophobicContact CB-CZ 4.32Å; F340-N342 PolarHBondContact O-N 3.27Å; F340-R364 HydrophobicContact CD2-CB 3.49Å; F340-R364 VanDerWaalsContact CD2-CB 3.49Å; F340-R364 HydrophobicContact CE2-CB 3.62Å; F340-R364 VanDerWaalsContact CE2-O 3.26Å; F340-R364 WeakPolarHBondContact CE2-O 3.37Å; F340-R364 HydrophobicContact CG-CB 4Å; F340-R364 HydrophobicContact CZ-CB 4.22Å; F340-D365 PolarHBondContact N-OD1 3.49Å | ||
| 341 | P | 82.2 | Confident | 66.8 | Low | 52 Ų | 52 | 64.5 Ų | 64.5 | 34% | 0.338 | 37% | 0.372 | S | S | . | . | trans | -60.1 | 132.2 | -179.2 | -23.6 | 34 | 0 | 0 | 0 | 112.1 | I49 Y339 H343 | I49-P341 HydrophobicContact CD1-CG 3.94Å; I49-P341 HydrophobicContact CG1-CG 4.27Å; Y339-P341 HydrophobicContact CD1-CG 4.32Å; Y339-P341 HydrophobicContact CE1-CB 4.45Å; Y339-P341 HydrophobicContact CE1-CG 3.91Å; Y339-P341 WeakPolarHBondContact O-CD 3.48Å; P341-H343 PolarHBondContact O-N 2.8Å | ||
| 342 | N | 65.9 | Low | 63.7 | Low | 51 Ų | 51 | 70.5 Ų | 70.5 | 27% | 0.273 | 41% | 0.414 | S | S | . | . | trans | -66.4 | 106.1 | 169.3 | -81.8 | -11.2 | 0 | 0 | 0 | 109.5 | F340 H344 S358 L361 | F340-N342 PolarHBondContact O-N 3.27Å; N342-H344 PolarHBondContact O-N 3.43Å; N342-S358 PolarHBondContact ND2-O 3.15Å; N342-S358 VanDerWaalsContact ND2-O 3.14Å; N342-L361 VanDerWaalsContact OD1-CB 3.32Å; N342-L361 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 343 | H | 47.5 | Very low | 60.4 | Low | 175 Ų | 175 | 74 Ų | 74 | 81% | 0.81 | 45% | 0.45 | S | S | * | . | trans | -68.8 | 77.3 | 170.2 | -81 | -71 | 0 | 0 | 0 | 111.1 | P341 S345 | P341-H343 PolarHBondContact O-N 2.8Å; H343-S345 PolarHBondContact O-N 3.5Å; H343-S345 VanDerWaalsContact O-N 3.16Å | ||
| 344 | H | 41.4 | Very low | 57.2 | Low | 130 Ų | 130 | 79.6 Ų | 79.6 | 60% | 0.602 | 48% | 0.484 | S | S | * | . | trans | -70.3 | 98.9 | 157.4 | -73.8 | -83.7 | 0 | 0 | 0 | 108.1 | N342 E346 | N342-H344 PolarHBondContact O-N 3.43Å; H344-E346 PolarHBondContact O-N 2.61Å | ||
| 345 | S | 33.8 | Very low | 54.1 | Low | 95 Ų | 95 | 86.7 Ų | 86.7 | 66% | 0.664 | 53% | 0.527 | S | S | * | . | trans | -68.6 | 108.6 | 166.9 | 44.1 | 0 | 0 | 0 | 0 | 109.2 | H343 T347 | H343-S345 PolarHBondContact O-N 3.5Å; H343-S345 VanDerWaalsContact O-N 3.16Å; S345-T347 PolarHBondContact O-N 3.34Å | ||
| 346 | E | 32 | Very low | 51.3 | Low | 192 Ų | 192 | 90.1 Ų | 90.1 | 90% | 0.897 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -70.4 | 65.7 | 174.5 | -64.1 | -170.7 | 141.7 | 0 | 0 | 110.8 | H344 | H344-E346 PolarHBondContact O-N 2.61Š|
| 347 | T | 31 | Very low | 48.3 | Very low | 127 Ų | 127 | 96 Ų | 96 | 78% | 0.779 | 58% | 0.579 | S | S | * | * | trans | -160.3 | 37.5 | -175.2 | -6.3 | 0 | 0 | 0 | 0 | 115.1 | S345 | S345-T347 PolarHBondContact O-N 3.34Š| ||
| 348 | S | 28.9 | Very low | 45.4 | Very low | 112 Ų | 112 | 99.3 Ų | 99.3 | 78% | 0.783 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -163.9 | 155.3 | 156.4 | 42.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 349 | S | 30.8 | Very low | 42.8 | Very low | 101 Ų | 101 | 104.1 Ų | 104.1 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | trans | -76.5 | 143.5 | -174 | -49 | 0 | 0 | 0 | 0 | 112.8 | S351 | S349-S351 PolarHBondContact O-N 3.28Š| ||
| 350 | P | 31.5 | Very low | 40.3 | Very low | 140 Ų | 140 | 104.2 Ų | 104.2 | 91% | 0.909 | 64% | 0.635 | S | S | * | * | trans | -69.3 | 107.8 | 178.3 | 28.8 | -34.2 | 0 | 0 | 0 | 110.7 | ||||
| 351 | S | 29.3 | Very low | 38.4 | Very low | 107 Ų | 107 | 106.2 Ų | 106.2 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | trans | -134.8 | 120.7 | 175.1 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | S349 | S349-S351 PolarHBondContact O-N 3.28Š| ||
| 352 | S | 29.8 | Very low | 37.1 | Very low | 126 Ų | 126 | 106.2 Ų | 106.2 | 88% | 0.881 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 50.1 | 65.8 | 161.7 | -162.5 | 0 | 0 | 0 | 0 | 119.5 | ||
| 353 | G | 27.5 | Very low | 37 | Very low | 73 Ų | 73 | 106.4 Ų | 106.4 | 75% | 0.753 | 65% | 0.648 | S | S | * | * | 67.2 | 77.6 | 127.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 354 | T | 28.8 | Very low | 38.5 | Very low | 117 Ų | 117 | 102.9 Ų | 102.9 | 72% | 0.718 | 63% | 0.628 | S | S | * | * | trans | -137.7 | 113.2 | 149.8 | -51.7 | 0 | 0 | 0 | 0 | 110.2 | T356 | T354-T356 HydrophobicContact CG2-CG2 4.07Å; T354-T356 PolarHBondContact O-N 3.12Å | ||
| 355 | V | 31 | Very low | 40.8 | Very low | 150 Ų | 150 | 97.5 Ų | 97.5 | 91% | 0.909 | 60% | 0.603 | S | S | * | * | trans | -98.2 | 78.7 | -178.5 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 356 | T | 35.9 | Very low | 43.6 | Very low | 72 Ų | 72 | 93 Ų | 93 | 44% | 0.442 | 57% | 0.572 | S | S | . | * | trans | -140.2 | -24.1 | -178.6 | 54.9 | 0 | 0 | 0 | 0 | 116.9 | T354 | T354-T356 HydrophobicContact CG2-CG2 4.07Å; T354-T356 PolarHBondContact O-N 3.12Å | ||
| 357 | N | 33.3 | Very low | 46.6 | Very low | 123 Ų | 123 | 83.9 Ų | 83.9 | 66% | 0.658 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -99 | -33.9 | -162 | -68.4 | 11.7 | 0 | 0 | 0 | 115.2 | T359 M360 | N357-T359 VanDerWaalsContact C-N 3.3Å; N357-T359 PolarHBondContact O-N 2.72Å; N357-M360 PolarHBondContact O-N 2.95Å |
| 358 | S | 34.9 | Very low | 49.7 | Very low | 71 Ų | 71 | 77.9 Ų | 77.9 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -15.6 | -173.8 | -57.1 | 0 | 0 | 0 | 0 | 115.1 | N342 | N342-S358 PolarHBondContact ND2-O 3.15Å; N342-S358 VanDerWaalsContact ND2-O 3.14Å |
| 359 | T | 40.6 | Very low | 52.9 | Low | 101 Ų | 101 | 73 Ų | 73 | 62% | 0.62 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -17.8 | 175 | 41 | 0 | 0 | 0 | 0 | 113.4 | N357 L361 | N357-T359 VanDerWaalsContact C-N 3.3Å; N357-T359 PolarHBondContact O-N 2.72Å; T359-L361 VanDerWaalsContact C-N 3.27Å; T359-L361 PolarHBondContact O-N 3.11Å |
| 360 | M | 41.1 | Very low | 55.9 | Low | 50 Ų | 50 | 68.2 Ų | 68.2 | 25% | 0.246 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -12.7 | -173 | -72.3 | -89.2 | 96.5 | 0 | 0 | 114.9 | N3 N357 | N3-M360 HydrophobicContact CB-CE 4.34Å; N3-M360 HydrophobicContact CB-SD 3.69Å; N3-M360 PolarHBondContact ND2-SD 3.16Å; N3-M360 VanDerWaalsContact ND2-SD 3.43Å; N357-M360 PolarHBondContact O-N 2.95Å |
| 361 | L | 48.7 | Very low | 59 | Low | 65 Ų | 65 | 61.6 Ų | 61.6 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -46.1 | -179.7 | -76 | 172.1 | 0 | 0 | 0 | 112.8 | N342 T359 D363 R364 | N342-L361 VanDerWaalsContact OD1-CB 3.32Å; N342-L361 WeakPolarHBondContact OD1-CB 3.44Å; T359-L361 VanDerWaalsContact C-N 3.27Å; T359-L361 PolarHBondContact O-N 3.11Å; L361-D363 PolarHBondContact O-N 3.38Å; L361-D363 VanDerWaalsContact O-N 3.11Å; L361-R364 WeakPolarHBondContact O-CB 3.45Å; L361-R364 PolarHBondContact O-N 3.44Å |
| 362 | C | 54.7 | Low | 62.2 | Low | 52 Ų | 52 | 58.1 Ų | 58.1 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -59 | -24.4 | 176.1 | -54.5 | 0 | 0 | 0 | 0 | 113.1 | K11 R364 D365 | K11-C362 PolarHBondContact NZ-O 2.99Å; C362-R364 PolarHBondContact O-N 3.43Å; C362-R364 VanDerWaalsContact O-N 3.15Å; C362-D365 WeakPolarHBondContact O-CB 3.31Å; C362-D365 PolarHBondContact O-N 2.95Å |
| 363 | D | 65.6 | Low | 65.4 | Low | 55 Ų | 55 | 52.1 Ų | 52.1 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -57.2 | -25.4 | 171.9 | -114.1 | 1.1 | 0 | 0 | 0 | 112.6 | S7 K11 L361 | S7-D363 WeakPolarHBondContact CB-OD2 3.41Å; K11-D363 WeakPolarHBondContact CE-O 3.49Å; K11-D363 PolarHBondContact NZ-O 2.81Å; L361-D363 PolarHBondContact O-N 3.38Å; L361-D363 VanDerWaalsContact O-N 3.11Å |
| 364 | R | 78.7 | Confident | 68.8 | Low | 102 Ų | 102 | 48.7 Ų | 48.7 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -81.9 | -15.1 | 176 | -72 | -177.9 | 160 | -175.2 | -8.2 | 115.5 | S6 F340 L361 C362 | S6-R364 WeakPolarHBondContact O-CG 3.41Å; S6-R364 PolarHBondContact O-NE 2.91Å; F340-R364 HydrophobicContact CD2-CB 3.49Å; F340-R364 VanDerWaalsContact CD2-CB 3.49Å; F340-R364 HydrophobicContact CE2-CB 3.62Å; F340-R364 VanDerWaalsContact CE2-O 3.26Å; F340-R364 WeakPolarHBondContact CE2-O 3.37Å; F340-R364 HydrophobicContact CG-CB 4Å; F340-R364 HydrophobicContact CZ-CB 4.22Å; L361-R364 WeakPolarHBondContact O-CB 3.45Å; L361-R364 PolarHBondContact O-N 3.44Å; C362-R364 PolarHBondContact O-N 3.43Å; C362-R364 VanDerWaalsContact O-N 3.15Å |
| 365 | D | 89.2 | Confident | 72.1 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | trans | -56.2 | 143.7 | -178.5 | -70.7 | -15.7 | 0 | 0 | 0 | 111.4 | L9 K11 A338 Y339 F340 C362 P369 | L9-D365 WeakPolarHBondContact CD2-O 3.4Å; K11-D365 WeakPolarHBondContact CE-O 3.14Å; K11-D365 PolarHBondContact NZ-O 3.42Å; A338-D365 WeakPolarHBondContact O-CA 3.44Å; Y339-D365 WeakPolarHBondContact CA-OD1 3.5Å; F340-D365 PolarHBondContact N-OD1 3.49Å; C362-D365 WeakPolarHBondContact O-CB 3.31Å; C362-D365 PolarHBondContact O-N 2.95Å; D365-P369 HydrophobicContact CB-CB 4.18Å; D365-P369 HydrophobicContact CB-CG 4.41Å | ||
| 366 | G | 92.9 | Very high | 75.2 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | trans | -60.9 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A334 I335 A338 A368 P369 | A334-G366 WeakPolarHBondContact O-CA 3.31Å; I335-G366 CarbonylContact O-C 3.49Å; I335-G366 VanDerWaalsContact O-CA 3.3Å; I335-G366 WeakPolarHBondContact O-CA 3.38Å; A338-G366 PolarHBondContact O-N 2.93Å; G366-A368 VanDerWaalsContact C-N 3.29Å; G366-A368 PolarHBondContact O-N 2.94Å; G366-P369 WeakPolarHBondContact O-CD 3.42Å | ||
| 367 | V | 95.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -63.8 | -34.4 | -178.1 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | K11 I14 I335 A336 M578 L585 | K11-V367 HydrophobicContact CG-CG2 4.38Å; I14-V367 HydrophobicContact CD1-CG1 3.86Å; I14-V367 HydrophobicContact CD1-CG2 4.2Å; I335-V367 PolarHBondContact O-N 2.92Å; A336-V367 PolarHBondContact O-N 3.44Å; V367-M578 HydrophobicContact CG2-CE 4.49Å; V367-M578 HydrophobicContact CG2-SD 3.49Å; V367-M578 WeakPolarHBondContact CG2-SD 3.5Å; V367-L585 HydrophobicContact CG1-CD1 4.14Å; V367-L585 WeakPolarHBondContact O-CD1 3.23Å |
| 368 | A | 96 | Very high | 81 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -125.7 | 77.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N27 A336 S337 G366 G370 A371 L585 | N27-A368 CarbonylContact O-C 3.57Å; N27-A368 WeakPolarHBondContact O-CA 3.34Å; A336-A368 PolarHBondContact O-N 3.26Å; S337-A368 WeakPolarHBondContact CA-O 3.26Å; S337-A368 WeakPolarHBondContact CB-O 3.48Å; G366-A368 VanDerWaalsContact C-N 3.29Å; G366-A368 PolarHBondContact O-N 2.94Å; A368-G370 PolarHBondContact O-N 3.11Å; A368-G370 VanDerWaalsContact O-N 3.13Å; A368-A371 HydrophobicContact CB-CB 3.95Å; A368-A371 WeakPolarHBondContact O-CB 3.39Å; A368-A371 PolarHBondContact O-N 2.73Å; A368-L585 HydrophobicContact CB-CD2 4.1Å; A368-L585 HydrophobicContact CB-CG 4.24Å | ||
| 369 | P | 94.8 | Very high | 83.7 | Confident | 9 Ų | 9 | 23.3 Ų | 23.3 | 6% | 0.058 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.1 | -173.8 | 24.9 | -32.3 | 0 | 0 | 0 | 114.2 | N27 P51 K56 Y339 D365 G366 | N27-P369 HydrophobicContact CB-CG 4.39Å; N27-P369 WeakPolarHBondContact O-CD 3.35Å; P51-P369 WeakPolarHBondContact CD-O 3.16Å; P51-P369 HydrophobicContact CG-CB 4.34Å; K56-P369 PolarHBondContact NZ-O 3.11Å; Y339-P369 HydrophobicContact CD2-CB 4.24Å; Y339-P369 HydrophobicContact CG-CB 4.47Å; D365-P369 HydrophobicContact CB-CB 4.18Å; D365-P369 HydrophobicContact CB-CG 4.41Å; G366-P369 WeakPolarHBondContact O-CD 3.42Å |
| 370 | G | 94.6 | Very high | 86 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -18.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N27 G28 C29 A368 | N27-G370 WeakPolarHBondContact O-CA 3.36Å; N27-G370 PolarHBondContact O-N 3.02Å; N27-G370 WeakPolarHBondContact OD1-CA 3.46Å; G28-G370 VanDerWaalsContact C-C 3.46Å; C29-G370 WeakPolarHBondContact SG-CA 3.13Å; C29-G370 PolarHBondContact SG-O 3.07Å; A368-G370 PolarHBondContact O-N 3.11Å; A368-G370 VanDerWaalsContact O-N 3.13Å |
| 371 | A | 96.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -70.1 | 146.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G28 I33 K56 A368 | G28-A371 WeakPolarHBondContact O-CA 3.11Å; G28-A371 PolarHBondContact O-N 3.29Å; I33-A371 HydrophobicContact CD1-CB 3.69Å; I33-A371 HydrophobicContact CG1-CB 4.18Å; K56-A371 WeakPolarHBondContact CD-O 3.28Å; K56-A371 PolarHBondContact NZ-O 2.99Å; A368-A371 HydrophobicContact CB-CB 3.95Å; A368-A371 WeakPolarHBondContact O-CB 3.39Å; A368-A371 PolarHBondContact O-N 2.73Å | ||
| 372 | Q | 97.1 | Very high | 89.8 | Confident | 35 Ų | 35 | 15.7 Ų | 15.7 | 16% | 0.164 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 148.1 | 173.4 | -73.9 | -167 | -48.9 | 0 | 0 | 111.3 | T31 R32 I33 T50 R55 K56 V58 | T31-Q372 PolarHBondContact O-N 3.01Å; R32-Q372 WeakPolarHBondContact CA-O 3.26Å; R32-Q372 HydrophobicContact CG-CB 4.09Å; I33-Q372 PolarHBondContact N-O 2.88Å; T50-Q372 HydrophobicContact CG2-CG 4.42Å; R55-Q372 PolarHBondContact O-NE2 3.1Å; K56-Q372 WeakPolarHBondContact O-CA 3.38Å; V58-Q372 HydrophobicContact CG2-CB 3.78Å; V58-Q372 HydrophobicContact CG2-CG 4Å |
| 373 | I | 97.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.4 | 179.7 | -61.8 | 159.7 | 0 | 0 | 0 | 111.3 | I33 V35 I40 L47 K56 I57 V58 A333 S337 | I33-I373 CarbonylContact O-C 3.54Å; I33-I373 WeakPolarHBondContact O-CA 3.43Å; V35-I373 HydrophobicContact CB-CG2 4.45Å; V35-I373 HydrophobicContact CG2-CG2 3.9Å; I40-I373 HydrophobicContact CD1-CG2 3.5Å; L47-I373 HydrophobicContact CD2-CD1 3.86Å; K56-I373 HydrophobicContact CD-CD1 3.94Å; K56-I373 HydrophobicContact CD-CG1 4.32Å; K56-I373 HydrophobicContact CG-CD1 4.08Å; K56-I373 PolarHBondContact O-N 3.27Å; I57-I373 WeakPolarHBondContact CA-O 3.43Å; V58-I373 PolarHBondContact N-O 3.45Å; A333-I373 HydrophobicContact CB-CD1 3.96Å; S337-I373 WeakPolarHBondContact OG-CD1 3.48Å; S337-I373 VanDerWaalsContact OG-CG1 3.26Å; S337-I373 WeakPolarHBondContact OG-CG1 2.95Å |
| 374 | V | 97.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.6 | 156.9 | 172.8 | 0 | 0 | 0 | 0 | 108.2 | I33 V35 V58 D59 I61 I376 L402 | I33-V374 PolarHBondContact O-N 3.33Å; V35-V374 PolarHBondContact N-O 3.31Å; V58-V374 HydrophobicContact CB-CG2 4.44Å; D59-V374 HydrophobicContact CB-CG1 4.38Å; I61-V374 HydrophobicContact CD1-CG1 4.41Å; V374-I376 HydrophobicContact CG1-CD1 4.13Å; V374-I376 HydrophobicContact CG1-CG1 3.8Å; V374-L402 HydrophobicContact CB-CD1 4.41Å; V374-L402 HydrophobicContact CG1-CD1 3.46Å; V374-L402 VanDerWaalsContact CG1-CD1 3.46Å; V374-L402 HydrophobicContact CG2-CB 4.43Å; V374-L402 HydrophobicContact CG2-CD1 4.04Å |
| 375 | S | 97.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.007 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 115.9 | 175.9 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | I40 D59 M60 I61 | I40-S375 PolarHBondContact N-OG 2.99Å; D59-S375 PolarHBondContact O-N 3.09Å; M60-S375 WeakPolarHBondContact CA-O 3.32Å; I61-S375 PolarHBondContact N-O 3.38Å |
| 376 | I | 97.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 103.8 | 173.4 | -52.3 | -172 | 0 | 0 | 0 | 108.8 | A34 V35 W36 D37 A63 V374 I378 A395 W398 T399 | A34-I376 HydrophobicContact CB-CD1 4.4Å; V35-I376 PolarHBondContact O-N 3.24Å; W36-I376 WeakPolarHBondContact CA-O 3.46Å; D37-I376 PolarHBondContact N-O 3.39Å; D37-I376 VanDerWaalsContact N-O 3.15Å; A63-I376 HydrophobicContact CB-CG2 3.66Å; V374-I376 HydrophobicContact CG1-CD1 4.13Å; V374-I376 HydrophobicContact CG1-CG1 3.8Å; I376-I378 HydrophobicContact CG2-CG2 4.41Å; I376-I378 PolarHBondContact O-N 2.88Å; I376-A395 HydrophobicContact CG2-CB 3.67Å; I376-W398 HydrophobicContact CD1-CB 4.01Å; I376-T399 WeakPolarHBondContact CD1-OG1 3.31Å |
| 377 | K | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 111.2 | 173.9 | 178 | -168.2 | -174.7 | -174.7 | 0 | 108.9 | D37 I61 D62 A63 S64 S66 T323 S379 S381 | D37-K377 CarbonylContact O-C 3.58Å; D37-K377 WeakPolarHBondContact O-CA 3.28Å; I61-K377 PolarHBondContact O-N 2.98Å; D62-K377 HydrophobicContact CB-CD 4.32Å; A63-K377 WeakPolarHBondContact CA-O 3.44Å; A63-K377 WeakPolarHBondContact CB-O 3.5Å; A63-K377 PolarHBondContact N-O 2.9Å; S64-K377 PolarHBondContact N-O 3.48Å; S66-K377 PolarHBondContact OG-NZ 3.42Å; T323-K377 WeakPolarHBondContact O-CD 3.28Å; T323-K377 PolarHBondContact O-NZ 2.86Å; K377-S379 WeakPolarHBondContact CE-O 3.44Å; K377-S381 PolarHBondContact NZ-OG 3.39Å |
| 378 | I | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | trans | -95 | -27.2 | 173 | 61.9 | 172.5 | 0 | 0 | 0 | 112.6 | W36 D37 I376 D380 E387 S391 L392 A395 Y409 F411 | W36-I378 HydrophobicContact CB-CD1 4.29Å; W36-I378 HydrophobicContact CB-CG2 4.04Å; W36-I378 HydrophobicContact CG-CG2 4.41Å; D37-I378 WeakPolarHBondContact O-CG1 3.44Å; D37-I378 PolarHBondContact O-N 2.92Å; I376-I378 HydrophobicContact CG2-CG2 4.41Å; I376-I378 PolarHBondContact O-N 2.88Å; I378-D380 PolarHBondContact O-N 3.16Å; I378-E387 HydrophobicContact CD1-CB 4.05Å; I378-E387 HydrophobicContact CG1-CB 4.36Å; I378-S391 WeakPolarHBondContact O-CB 3.22Å; I378-S391 PolarHBondContact O-OG 3.27Å; I378-L392 HydrophobicContact CD1-CD2 4.23Å; I378-L392 HydrophobicContact CG2-CD2 4.49Å; I378-A395 HydrophobicContact CG2-CB 3.86Å; I378-Y409 HydrophobicContact CD1-CD2 4.24Å; I378-Y409 HydrophobicContact CD1-CE2 3.38Å; I378-F411 HydrophobicContact CD1-CB 4.16Å; I378-F411 HydrophobicContact CD1-CG 4.2Å | ||
| 379 | S | 92 | Very high | 90.1 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 129.5 | -178.4 | 69.9 | 0 | 0 | 0 | 0 | 111.7 | T38 N325 K377 M386 | T38-S379 WeakPolarHBondContact CA-OG 3.42Å; N325-S379 WeakPolarHBondContact CB-OG 3.39Å; N325-S379 WeakPolarHBondContact ND2-CB 3.38Å; N325-S379 PolarHBondContact ND2-OG 2.91Å; K377-S379 WeakPolarHBondContact CE-O 3.44Å; S379-M386 VanDerWaalsContact CA-O 3.31Å; S379-M386 WeakPolarHBondContact CA-O 3.28Å |
| 380 | D | 88.4 | Confident | 89.6 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -88.1 | 109.9 | 176.5 | -166 | -35.1 | 0 | 0 | 0 | 111.4 | I378 R382 L383 G384 M386 T388 | I378-D380 PolarHBondContact O-N 3.16Å; D380-R382 PolarHBondContact O-N 2.65Å; D380-R382 VanDerWaalsContact OD1-CB 3.29Å; D380-R382 WeakPolarHBondContact OD1-CB 3.34Å; D380-R382 WeakPolarHBondContact OD1-CG 3.39Å; D380-R382 IonicContact OD1-CZ 3.22Å; D380-R382 PolarHBondContact OD1-N 2.86Å; D380-R382 VanDerWaalsContact OD1-N 3.1Å; D380-R382 IonicContact OD1-NE 2.83Å; D380-R382 PolarHBondContact OD1-NE 3.27Å; D380-R382 IonicContact OD1-NH2 3.76Å; D380-R382 IonicContact OD2-CZ 3.84Å; D380-R382 IonicContact OD2-NE 3.76Å; D380-R382 PolarHBondContact OD2-NE 2.87Å; D380-R382 IonicContact OD2-NH2 3.4Å; D380-R382 PolarHBondContact OD2-NH2 2.71Å; D380-L383 HydrophobicContact CB-CB 4.47Å; D380-L383 HydrophobicContact CB-CD1 4.39Å; D380-L383 HydrophobicContact CB-CG 4.26Å; D380-L383 PolarHBondContact O-N 3.38Å; D380-G384 CarbonylContact C-O 3.6Å; D380-G384 PolarHBondContact O-N 3.02Å; D380-M386 PolarHBondContact N-O 2.93Å; D380-T388 HydrophobicContact CB-CG2 3.96Å | ||
| 381 | S | 86 | Confident | 89.4 | Confident | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.014 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -31 | -178 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | E114 L115 K377 L383 G384 | E114-S381 WeakPolarHBondContact O-CB 3.3Å; L115-S381 PolarHBondContact O-OG 2.83Å; K377-S381 PolarHBondContact NZ-OG 3.39Å; S381-L383 PolarHBondContact O-N 3.33Å; S381-G384 PolarHBondContact O-N 3.15Å |
| 382 | R | 82.5 | Confident | 89.1 | Confident | 54 Ų | 54 | 11.8 Ų | 11.8 | 20% | 0.204 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -37.3 | 178.3 | -61.5 | 172.1 | -69.5 | -166.4 | -0.5 | 112.6 | E114 D380 | E114-R382 HydrophobicContact CB-CG 4.32Å; E114-R382 HydrophobicContact CG-CG 4.02Å; D380-R382 PolarHBondContact O-N 2.65Å; D380-R382 VanDerWaalsContact OD1-CB 3.29Å; D380-R382 WeakPolarHBondContact OD1-CB 3.34Å; D380-R382 WeakPolarHBondContact OD1-CG 3.39Å; D380-R382 IonicContact OD1-CZ 3.22Å; D380-R382 PolarHBondContact OD1-N 2.86Å; D380-R382 VanDerWaalsContact OD1-N 3.1Å; D380-R382 IonicContact OD1-NE 2.83Å; D380-R382 PolarHBondContact OD1-NE 3.27Å; D380-R382 IonicContact OD1-NH2 3.76Å; D380-R382 IonicContact OD2-CZ 3.84Å; D380-R382 IonicContact OD2-NE 3.76Å; D380-R382 PolarHBondContact OD2-NE 2.87Å; D380-R382 IonicContact OD2-NH2 3.4Å; D380-R382 PolarHBondContact OD2-NH2 2.71Å |
| 383 | L | 82 | Confident | 88.7 | Confident | 12 Ų | 12 | 10.2 Ų | 10.2 | 6% | 0.063 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -32.2 | 175 | -54.4 | -175.8 | 0 | 0 | 0 | 110.6 | K118 D380 S381 M386 T388 I1192 A1205 F1218 | K118-L383 PolarHBondContact NZ-O 3.29Å; D380-L383 HydrophobicContact CB-CB 4.47Å; D380-L383 HydrophobicContact CB-CD1 4.39Å; D380-L383 HydrophobicContact CB-CG 4.26Å; D380-L383 PolarHBondContact O-N 3.38Å; S381-L383 PolarHBondContact O-N 3.33Å; L383-M386 HydrophobicContact CB-CB 4.5Å; L383-M386 HydrophobicContact CD1-CE 3.74Å; L383-T388 HydrophobicContact CD1-CG2 3.52Å; L383-I1192 HydrophobicContact CD1-CD1 4.39Å; L383-A1205 VanDerWaalsContact CD2-C 3.42Å; L383-A1205 HydrophobicContact CD2-CB 3.68Å; L383-A1205 VanDerWaalsContact CD2-O 3.31Å; L383-A1205 WeakPolarHBondContact CD2-O 3.46Å; L383-F1218 HydrophobicContact CB-CE1 4.16Å; L383-F1218 HydrophobicContact CB-CZ 4.39Å; L383-F1218 HydrophobicContact CD1-CZ 4.47Å; L383-F1218 HydrophobicContact CD2-CE1 4Å; L383-F1218 HydrophobicContact CD2-CZ 4.23Å |
| 384 | G | 75.8 | Confident | 88.3 | Confident | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | S | Bend | trans | 116.5 | -147.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | N325 D380 S381 M386 | N325-G384 PolarHBondContact ND2-O 3.11Å; D380-G384 CarbonylContact C-O 3.6Å; D380-G384 PolarHBondContact O-N 3.02Å; S381-G384 PolarHBondContact O-N 3.15Å; G384-M386 PolarHBondContact O-N 3.14Å |
| 385 | P | 78.4 | Confident | 88.1 | Confident | 86 Ų | 86 | 11.6 Ų | 11.6 | 56% | 0.558 | 6% | 0.061 | S | C | * | . | S | Bend | trans | -78.7 | 64.4 | 174.3 | 34.5 | -35.1 | 0 | 0 | 0 | 110.8 | F411 | P385-F411 HydrophobicContact CB-CZ 4.35Å; P385-F411 WeakPolarHBondContact O-CE1 3.49Å; P385-F411 WeakPolarHBondContact O-CZ 3.4Å |
| 386 | M | 83.4 | Confident | 87.9 | Confident | 12 Ų | 12 | 11.7 Ų | 11.7 | 6% | 0.059 | 6% | 0.061 | C | C | . | . | trans | -132 | 136.3 | 175.3 | -160.7 | -171.1 | 87.6 | 0 | 0 | 110.7 | S379 D380 L383 G384 E1207 K1217 F1218 | S379-M386 VanDerWaalsContact CA-O 3.31Å; S379-M386 WeakPolarHBondContact CA-O 3.28Å; D380-M386 PolarHBondContact N-O 2.93Å; L383-M386 HydrophobicContact CB-CB 4.5Å; L383-M386 HydrophobicContact CD1-CE 3.74Å; G384-M386 PolarHBondContact O-N 3.14Å; M386-E1207 HydrophobicContact CE-CB 4.34Å; M386-K1217 HydrophobicContact SD-CD 4.49Å; M386-F1218 HydrophobicContact CE-CE2 4.49Å; M386-F1218 HydrophobicContact CE-CZ 4.01Å; M386-F1218 HydrophobicContact SD-CE2 4.4Å; M386-F1218 HydrophobicContact SD-CZ 3.83Å | ||
| 387 | E | 88.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.066 | C | C | . | . | B | Isolated β-bridge | trans | -74.2 | 153.1 | 171.3 | 76.8 | -81 | -150.8 | 0 | 0 | 111.9 | I378 L392 Y409 F411 E413 L1183 Y1184 | I378-E387 HydrophobicContact CD1-CB 4.05Å; I378-E387 HydrophobicContact CG1-CB 4.36Å; E387-L392 HydrophobicContact CB-CD2 4.25Å; E387-L392 HydrophobicContact CG-CD1 4.21Å; E387-L392 HydrophobicContact CG-CD2 4.32Å; E387-L392 HydrophobicContact CG-CG 4.47Å; E387-Y409 WeakPolarHBondContact CG-OH 3.47Å; E387-F411 HydrophobicContact CB-CD1 4.36Å; E387-F411 VanDerWaalsContact OE2-CD1 3.28Å; E387-F411 WeakPolarHBondContact OE2-CD1 3.28Å; E387-E413 PolarHBondContact OE1-N 2.94Å; E387-L1183 HydrophobicContact CG-CD2 4.07Å; E387-Y1184 WeakPolarHBondContact OE1-CE2 3.4Å; E387-Y1184 PolarHBondContact OE1-OH 2.87Å |
| 388 | T | 86.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -125.8 | 158 | 178.6 | 58.5 | 0 | 0 | 0 | 0 | 112 | D380 L383 I390 S391 L392 E1207 | D380-T388 HydrophobicContact CB-CG2 3.96Å; L383-T388 HydrophobicContact CD1-CG2 3.52Å; T388-I390 PolarHBondContact O-N 3.41Å; T388-I390 WeakPolarHBondContact OG1-CG2 3.39Å; T388-S391 PolarHBondContact N-OG 3.1Å; T388-S391 WeakPolarHBondContact O-CB 3.37Å; T388-S391 PolarHBondContact O-N 2.95Å; T388-S391 PolarHBondContact O-OG 3.42Å; T388-S391 WeakPolarHBondContact OG1-CB 3.5Å; T388-S391 PolarHBondContact OG1-N 3.26Å; T388-S391 PolarHBondContact OG1-OG 3.27Å; T388-L392 PolarHBondContact O-N 3.05Å; T388-E1207 WeakPolarHBondContact CA-OE2 3.28Å; T388-E1207 WeakPolarHBondContact CB-OE2 3.49Å | ||
| 389 | G | 84 | Confident | 87.3 | Confident | 3 Ų | 3 | 14.9 Ų | 14.9 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -55.9 | -38.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L393 S1189 E1207 | G389-L393 WeakPolarHBondContact O-CG 3.36Å; G389-L393 PolarHBondContact O-N 2.75Å; G389-S1189 CarbonylContact C-O 3.54Å; G389-S1189 VanDerWaalsContact C-O 3.31Å; G389-S1189 WeakPolarHBondContact CA-O 3.35Å; G389-E1207 PolarHBondContact N-OE2 3.43Å |
| 390 | I | 84 | Confident | 87.3 | Confident | 38 Ų | 38 | 16.2 Ų | 16.2 | 20% | 0.195 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 173.6 | 178.3 | 152 | 0 | 0 | 0 | 112.6 | T388 L392 L393 R394 L1147 I1190 | T388-I390 PolarHBondContact O-N 3.41Å; T388-I390 WeakPolarHBondContact OG1-CG2 3.39Å; I390-L392 PolarHBondContact O-N 2.97Å; I390-L393 PolarHBondContact O-N 3.43Å; I390-R394 HydrophobicContact CG1-CG 4.48Å; I390-R394 WeakPolarHBondContact O-CB 3.49Å; I390-R394 PolarHBondContact O-N 2.67Å; I390-L1147 HydrophobicContact CB-CD2 4.22Å; I390-L1147 HydrophobicContact CD1-CD2 4.3Å; I390-L1147 HydrophobicContact CG1-CD2 3.82Å; I390-I1190 HydrophobicContact CB-CD1 3.74Å; I390-I1190 HydrophobicContact CB-CG1 3.97Å; I390-I1190 HydrophobicContact CB-CG2 4.35Å; I390-I1190 HydrophobicContact CD1-CD1 4.04Å; I390-I1190 HydrophobicContact CG1-CD1 4.27Å; I390-I1190 HydrophobicContact CG2-CG2 4.4Å |
| 391 | S | 90.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | -179.3 | 75.8 | 0 | 0 | 0 | 0 | 112.5 | A63 I378 T388 A395 | A63-S391 WeakPolarHBondContact CB-O 3.06Å; A63-S391 WeakPolarHBondContact O-CA 3.26Å; I378-S391 WeakPolarHBondContact O-CB 3.22Å; I378-S391 PolarHBondContact O-OG 3.27Å; T388-S391 PolarHBondContact N-OG 3.1Å; T388-S391 WeakPolarHBondContact O-CB 3.37Å; T388-S391 PolarHBondContact O-N 2.95Å; T388-S391 PolarHBondContact O-OG 3.42Å; T388-S391 WeakPolarHBondContact OG1-CB 3.5Å; T388-S391 PolarHBondContact OG1-N 3.26Å; T388-S391 PolarHBondContact OG1-OG 3.27Å; S391-A395 WeakPolarHBondContact O-CB 3.5Å; S391-A395 PolarHBondContact O-N 3.45Å |
| 392 | L | 91.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.6 | -39.5 | -177.2 | -59.7 | 179.6 | 0 | 0 | 0 | 111 | W36 I378 E387 T388 I390 A395 I396 Y409 I423 Y1184 | W36-L392 HydrophobicContact CE3-CD2 4.44Å; I378-L392 HydrophobicContact CD1-CD2 4.23Å; I378-L392 HydrophobicContact CG2-CD2 4.49Å; E387-L392 HydrophobicContact CB-CD2 4.25Å; E387-L392 HydrophobicContact CG-CD1 4.21Å; E387-L392 HydrophobicContact CG-CD2 4.32Å; E387-L392 HydrophobicContact CG-CG 4.47Å; T388-L392 PolarHBondContact O-N 3.05Å; I390-L392 PolarHBondContact O-N 2.97Å; L392-A395 PolarHBondContact O-N 3.44Å; L392-I396 VanDerWaalsContact O-CG1 3.23Å; L392-I396 WeakPolarHBondContact O-CG1 3.34Å; L392-I396 PolarHBondContact O-N 3.42Å; L392-Y409 HydrophobicContact CD2-CE2 3.71Å; L392-I423 HydrophobicContact CB-CD1 4.44Å; L392-I423 HydrophobicContact CB-CG2 4.31Å; L392-I423 HydrophobicContact CD1-CG2 3.72Å; L392-Y1184 HydrophobicContact CD1-CD1 4.41Å; L392-Y1184 HydrophobicContact CD1-CE1 3.76Å |
| 393 | L | 88.5 | Confident | 88.2 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68 | -45.5 | 177.1 | -67.2 | 170.1 | 0 | 0 | 0 | 112 | G389 I390 A395 I396 R397 I423 Y426 L1147 L1148 | G389-L393 WeakPolarHBondContact O-CG 3.36Å; G389-L393 PolarHBondContact O-N 2.75Å; I390-L393 PolarHBondContact O-N 3.43Å; L393-A395 VanDerWaalsContact C-N 3.31Å; L393-A395 PolarHBondContact O-N 2.92Å; L393-I396 PolarHBondContact O-N 3.05Å; L393-R397 PolarHBondContact O-N 3.04Å; L393-R397 VanDerWaalsContact O-N 3.13Å; L393-I423 HydrophobicContact CD1-CD1 4.23Å; L393-I423 HydrophobicContact CD2-CD1 4.1Å; L393-I423 HydrophobicContact CG-CD1 3.9Å; L393-Y426 HydrophobicContact CD2-CD2 3.75Å; L393-Y426 HydrophobicContact CD2-CE2 4.45Å; L393-Y426 HydrophobicContact CD2-CG 3.93Å; L393-L1147 CarbonylContact C-O 3.5Å; L393-L1147 HydrophobicContact CB-CB 4.44Å; L393-L1147 HydrophobicContact CB-CD2 3.81Å; L393-L1147 HydrophobicContact CD1-CD2 4.09Å; L393-L1147 VanDerWaalsContact O-O 3.11Å; L393-L1148 HydrophobicContact CD2-CD2 4.07Å |
| 394 | R | 89 | Confident | 88.8 | Confident | 29 Ų | 29 | 26.2 Ų | 26.2 | 11% | 0.109 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.3 | -39.5 | 171.7 | -83.3 | 175.3 | 160 | -172.1 | -2.7 | 111.7 | A63 D68 I390 R397 W398 | A63-R394 HydrophobicContact CB-CB 3.8Å; A63-R394 WeakPolarHBondContact O-CD 3.4Å; D68-R394 IonicContact OD1-NH1 3.32Å; D68-R394 IonicContact OD2-CZ 3.68Å; D68-R394 IonicContact OD2-NH1 3.45Å; D68-R394 PolarHBondContact OD2-NH1 3.45Å; D68-R394 IonicContact OD2-NH2 3.75Å; D68-R394 PolarHBondContact OD2-NH2 2.6Å; I390-R394 HydrophobicContact CG1-CG 4.48Å; I390-R394 WeakPolarHBondContact O-CB 3.49Å; I390-R394 PolarHBondContact O-N 2.67Å; R394-R397 PolarHBondContact O-N 3.47Å; R394-W398 VanDerWaalsContact O-CD1 3.25Å; R394-W398 PolarHBondContact O-N 2.85Å |
| 395 | A | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.1 | -42.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | W36 A63 I376 I378 S391 L392 L393 R397 W398 T399 | W36-A395 HydrophobicContact CD2-CB 3.67Å; W36-A395 HydrophobicContact CE3-CB 3.82Å; W36-A395 HydrophobicContact CG-CB 4.24Å; W36-A395 HydrophobicContact CH2-CB 4.34Å; W36-A395 HydrophobicContact CZ2-CB 4.11Å; W36-A395 HydrophobicContact CZ3-CB 4.17Å; A63-A395 HydrophobicContact CB-CB 4.15Å; I376-A395 HydrophobicContact CG2-CB 3.67Å; I378-A395 HydrophobicContact CG2-CB 3.86Å; S391-A395 WeakPolarHBondContact O-CB 3.5Å; S391-A395 PolarHBondContact O-N 3.45Å; L392-A395 PolarHBondContact O-N 3.44Å; L393-A395 VanDerWaalsContact C-N 3.31Å; L393-A395 PolarHBondContact O-N 2.92Å; A395-R397 VanDerWaalsContact C-N 3.3Å; A395-R397 PolarHBondContact O-N 3.04Å; A395-W398 PolarHBondContact O-N 3.28Å; A395-T399 WeakPolarHBondContact O-CB 3.19Å; A395-T399 PolarHBondContact O-N 3.3Å; A395-T399 PolarHBondContact O-OG1 3.45Å |
| 396 | I | 92.7 | Very high | 90.6 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -54.3 | -49.6 | 171.6 | -71.6 | 165.3 | 0 | 0 | 0 | 109.9 | W36 L392 L393 T399 I400 L427 M430 | W36-I396 HydrophobicContact CH2-CB 4.32Å; W36-I396 HydrophobicContact CH2-CG1 3.43Å; W36-I396 VanDerWaalsContact CH2-CG1 3.43Å; W36-I396 HydrophobicContact CZ2-CG1 4.23Å; W36-I396 HydrophobicContact CZ3-CG1 4.12Å; L392-I396 VanDerWaalsContact O-CG1 3.23Å; L392-I396 WeakPolarHBondContact O-CG1 3.34Å; L392-I396 PolarHBondContact O-N 3.42Å; L393-I396 PolarHBondContact O-N 3.05Å; I396-T399 PolarHBondContact O-N 3.47Å; I396-I400 HydrophobicContact CG2-CD1 3.9Å; I396-I400 WeakPolarHBondContact O-CD1 3.35Å; I396-I400 WeakPolarHBondContact O-CG1 3.43Å; I396-I400 PolarHBondContact O-N 3.39Å; I396-L427 HydrophobicContact CD1-CD2 3.77Å; I396-L427 HydrophobicContact CD1-CG 4.36Å; I396-L427 HydrophobicContact CG1-CD2 3.98Å; I396-M430 HydrophobicContact CB-SD 4.34Å; I396-M430 HydrophobicContact CG1-SD 4.07Å; I396-M430 HydrophobicContact CG2-CB 4.13Å; I396-M430 HydrophobicContact CG2-CG 4.28Å; I396-M430 HydrophobicContact CG2-SD 4.22Å |
| 397 | R | 89.1 | Confident | 91.3 | Very high | 26 Ų | 26 | 22.3 Ų | 22.3 | 10% | 0.098 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.8 | -54.1 | -179 | 178.2 | 174 | 176.9 | -179.8 | -7.2 | 112.2 | L393 R394 A395 T399 I400 E401 I1144 E1146 P1149 | L393-R397 PolarHBondContact O-N 3.04Å; L393-R397 VanDerWaalsContact O-N 3.13Å; R394-R397 PolarHBondContact O-N 3.47Å; A395-R397 VanDerWaalsContact C-N 3.3Å; A395-R397 PolarHBondContact O-N 3.04Å; R397-T399 VanDerWaalsContact C-N 3.3Å; R397-T399 PolarHBondContact O-N 2.79Å; R397-I400 WeakPolarHBondContact O-CB 3.39Å; R397-I400 PolarHBondContact O-N 3.44Å; R397-I400 VanDerWaalsContact O-N 3.15Å; R397-E401 HydrophobicContact CG-CG 4.45Å; R397-E401 WeakPolarHBondContact CG-OE2 3.41Å; R397-E401 IonicContact CZ-OE1 3.32Å; R397-E401 VanDerWaalsContact CZ-OE1 3.24Å; R397-E401 IonicContact NE-OE1 3.01Å; R397-E401 PolarHBondContact NE-OE1 3.43Å; R397-E401 IonicContact NE-OE2 3.65Å; R397-E401 PolarHBondContact NE-OE2 3.05Å; R397-E401 IonicContact NH2-OE1 2.86Å; R397-E401 PolarHBondContact NH2-OE1 3.15Å; R397-E401 IonicContact NH2-OE2 3.88Å; R397-E401 PolarHBondContact O-N 3.33Å; R397-I1144 PolarHBondContact NH1-O 3.04Å; R397-I1144 PolarHBondContact NH2-O 2.93Å; R397-E1146 PolarHBondContact NH1-O 3.32Å; R397-P1149 HydrophobicContact CG-CB 4.42Å |
| 398 | W | 92.3 | Very high | 91.7 | Very high | 41 Ų | 41 | 22.3 Ų | 22.3 | 16% | 0.155 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.8 | -34.8 | -178.8 | -83.1 | 111.6 | 0 | 0 | 0 | 113.5 | I61 F313 I376 R394 A395 I400 E401 L402 | I61-W398 HydrophobicContact CD1-CB 3.86Å; I61-W398 HydrophobicContact CD1-CD2 3.49Å; I61-W398 VanDerWaalsContact CD1-CD2 3.49Å; I61-W398 HydrophobicContact CD1-CE3 3.54Å; I61-W398 HydrophobicContact CD1-CG 3.65Å; I61-W398 HydrophobicContact CD1-CZ3 4.27Å; I61-W398 HydrophobicContact CG1-CD2 4.12Å; I61-W398 HydrophobicContact CG1-CE3 4.35Å; I61-W398 HydrophobicContact CG1-CG 4.39Å; I61-W398 HydrophobicContact CG2-CD2 4.39Å; I61-W398 HydrophobicContact CG2-CG 4.07Å; F313-W398 AromaticContact CE1-CH2 3.82Å; F313-W398 HydrophobicContact CE1-CH2 3.82Å; F313-W398 AromaticContact CE1-CZ2 3.69Å; F313-W398 HydrophobicContact CE1-CZ2 3.69Å; F313-W398 HydrophobicContact CZ-CH2 4.15Å; F313-W398 AromaticContact CZ-CZ2 3.64Å; F313-W398 HydrophobicContact CZ-CZ2 3.64Å; I376-W398 HydrophobicContact CD1-CB 4.01Å; R394-W398 VanDerWaalsContact O-CD1 3.25Å; R394-W398 PolarHBondContact O-N 2.85Å; A395-W398 PolarHBondContact O-N 3.28Å; W398-I400 VanDerWaalsContact C-N 3.31Å; W398-I400 PolarHBondContact O-N 2.95Å; W398-E401 PolarHBondContact O-N 2.88Å; W398-L402 HydrophobicContact CE3-CD1 4.16Å; W398-L402 HydrophobicContact CE3-CG 4.17Å; W398-L402 WeakPolarHBondContact O-CB 3.43Å; W398-L402 WeakPolarHBondContact O-CG 3.34Å; W398-L402 PolarHBondContact O-N 3.42Å |
| 399 | T | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | A34 W36 I376 A395 I396 R397 K403 C404 V407 M430 I436 | A34-T399 HydrophobicContact CB-CG2 4.03Å; W36-T399 HydrophobicContact CZ2-CG2 4.47Å; W36-T399 WeakPolarHBondContact CZ2-OG1 3.35Å; W36-T399 PolarHBondContact NE1-OG1 2.96Å; I376-T399 WeakPolarHBondContact CD1-OG1 3.31Å; A395-T399 WeakPolarHBondContact O-CB 3.19Å; A395-T399 PolarHBondContact O-N 3.3Å; A395-T399 PolarHBondContact O-OG1 3.45Å; I396-T399 PolarHBondContact O-N 3.47Å; R397-T399 VanDerWaalsContact C-N 3.3Å; R397-T399 PolarHBondContact O-N 2.79Å; T399-K403 PolarHBondContact O-N 3.2Å; T399-C404 HydrophobicContact CG2-CB 3.78Å; T399-C404 PolarHBondContact O-N 3.22Å; T399-C404 VanDerWaalsContact O-N 3.08Å; T399-V407 HydrophobicContact CG2-CG2 3.5Å; T399-V407 VanDerWaalsContact CG2-CG2 3.5Å; T399-M430 HydrophobicContact CG2-SD 4.27Å; T399-I436 HydrophobicContact CG2-CD1 4.19Å; T399-I436 HydrophobicContact CG2-CG2 4.15Å |
| 400 | I | 91.7 | Very high | 92.5 | Very high | 28 Ų | 28 | 22.3 Ų | 22.3 | 14% | 0.144 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.2 | -48.3 | 175.9 | -65.1 | 159.2 | 0 | 0 | 0 | 110.7 | I396 R397 W398 L402 K403 M430 Y434 I436 P1149 | I396-I400 HydrophobicContact CG2-CD1 3.9Å; I396-I400 WeakPolarHBondContact O-CD1 3.35Å; I396-I400 WeakPolarHBondContact O-CG1 3.43Å; I396-I400 PolarHBondContact O-N 3.39Å; R397-I400 WeakPolarHBondContact O-CB 3.39Å; R397-I400 PolarHBondContact O-N 3.44Å; R397-I400 VanDerWaalsContact O-N 3.15Å; W398-I400 VanDerWaalsContact C-N 3.31Å; W398-I400 PolarHBondContact O-N 2.95Å; I400-L402 PolarHBondContact O-N 2.92Å; I400-K403 PolarHBondContact O-N 3.29Å; I400-M430 HydrophobicContact CD1-CG 4.49Å; I400-M430 HydrophobicContact CG1-CG 4.43Å; I400-Y434 HydrophobicContact CD1-CD2 3.69Å; I400-Y434 HydrophobicContact CD1-CE1 4.44Å; I400-Y434 HydrophobicContact CD1-CE2 3.5Å; I400-Y434 HydrophobicContact CD1-CG 4.24Å; I400-Y434 HydrophobicContact CG1-CD1 4.36Å; I400-Y434 HydrophobicContact CG1-CD2 3.97Å; I400-Y434 HydrophobicContact CG1-CE2 4.22Å; I400-Y434 HydrophobicContact CG1-CG 4.04Å; I400-Y434 HydrophobicContact CG2-CD1 3.67Å; I400-Y434 HydrophobicContact CG2-CE1 3.61Å; I400-Y434 HydrophobicContact CG2-CG 4.21Å; I400-I436 HydrophobicContact CG1-CD1 3.72Å; I400-P1149 HydrophobicContact CD1-CB 4.2Å; I400-P1149 HydrophobicContact CD1-CG 3.94Å |
| 401 | E | 89.9 | Confident | 92.5 | Very high | 82 Ų | 82 | 21.9 Ų | 21.9 | 38% | 0.383 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -64.3 | -39.9 | -176 | -73.2 | 173.1 | 154.1 | 0 | 0 | 112.6 | R397 W398 K403 | R397-E401 HydrophobicContact CG-CG 4.45Å; R397-E401 WeakPolarHBondContact CG-OE2 3.41Å; R397-E401 IonicContact CZ-OE1 3.32Å; R397-E401 VanDerWaalsContact CZ-OE1 3.24Å; R397-E401 IonicContact NE-OE1 3.01Å; R397-E401 PolarHBondContact NE-OE1 3.43Å; R397-E401 IonicContact NE-OE2 3.65Å; R397-E401 PolarHBondContact NE-OE2 3.05Å; R397-E401 IonicContact NH2-OE1 2.86Å; R397-E401 PolarHBondContact NH2-OE1 3.15Å; R397-E401 IonicContact NH2-OE2 3.88Å; R397-E401 PolarHBondContact O-N 3.33Å; W398-E401 PolarHBondContact O-N 2.88Å; E401-K403 PolarHBondContact O-N 2.99Å |
| 402 | L | 92.4 | Very high | 92 | Very high | 27 Ų | 27 | 22.8 Ų | 22.8 | 14% | 0.141 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0.8 | 177.4 | -66.6 | 171.9 | 0 | 0 | 0 | 114.5 | R32 D59 I61 V374 W398 I400 | R32-L402 PolarHBondContact NH1-O 3.32Å; D59-L402 HydrophobicContact CB-CD1 3.92Å; D59-L402 HydrophobicContact CB-CD2 4.43Å; D59-L402 WeakPolarHBondContact OD2-CD1 3.4Å; I61-L402 HydrophobicContact CD1-CD1 3.58Å; V374-L402 HydrophobicContact CB-CD1 4.41Å; V374-L402 HydrophobicContact CG1-CD1 3.46Å; V374-L402 VanDerWaalsContact CG1-CD1 3.46Å; V374-L402 HydrophobicContact CG2-CB 4.43Å; V374-L402 HydrophobicContact CG2-CD1 4.04Å; W398-L402 HydrophobicContact CE3-CD1 4.16Å; W398-L402 HydrophobicContact CE3-CG 4.17Å; W398-L402 WeakPolarHBondContact O-CB 3.43Å; W398-L402 WeakPolarHBondContact O-CG 3.34Å; W398-L402 PolarHBondContact O-N 3.42Å; I400-L402 PolarHBondContact O-N 2.92Å |
| 403 | K | 92.4 | Very high | 91.6 | Very high | 162 Ų | 162 | 24.6 Ų | 24.6 | 70% | 0.704 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 51 | 179.6 | -52.8 | 175.9 | -174.2 | 175.3 | 0 | 112 | T399 I400 E401 | T399-K403 PolarHBondContact O-N 3.2Å; I400-K403 PolarHBondContact O-N 3.29Å; E401-K403 PolarHBondContact O-N 2.99Å |
| 404 | C | 95.1 | Very high | 91 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | trans | -73.3 | 144.6 | 172.5 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | A34 T399 | A34-C404 HydrophobicContact CB-CB 4Å; T399-C404 HydrophobicContact CG2-CB 3.78Å; T399-C404 PolarHBondContact O-N 3.22Å; T399-C404 VanDerWaalsContact O-N 3.08Å | ||
| 405 | D | 94.2 | Very high | 90.3 | Very high | 18 Ų | 18 | 27.7 Ų | 27.7 | 10% | 0.096 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -89.8 | -36 | -178.8 | -61.3 | -65.2 | 0 | 0 | 0 | 111.5 | T31 R32 I437 L587 R591 R601 | T31-D405 WeakPolarHBondContact CA-OD2 3.35Å; T31-D405 HydrophobicContact CG2-CB 4.11Å; R32-D405 PolarHBondContact N-OD2 3Å; R32-D405 PolarHBondContact O-N 2.83Å; D405-I437 PolarHBondContact O-N 3.23Å; D405-I437 VanDerWaalsContact O-N 3.12Å; D405-L587 HydrophobicContact CB-CD1 4.31Å; D405-R591 IonicContact OD1-CZ 3.52Å; D405-R591 IonicContact OD1-NH1 3.44Å; D405-R591 PolarHBondContact OD1-NH1 3.12Å; D405-R591 IonicContact OD1-NH2 3.13Å; D405-R591 PolarHBondContact OD1-NH2 3.36Å; D405-R591 IonicContact OD2-CZ 2.73Å; D405-R591 IonicContact OD2-NH1 3.7Å; D405-R591 PolarHBondContact OD2-NH1 2.77Å; D405-R591 IonicContact OD2-NH2 3.54Å; D405-R601 IonicContact OD2-NH1 3.59Å |
| 406 | I | 97.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144.3 | -175 | -170.4 | 163.7 | 0 | 0 | 0 | 111.3 | T31 R32 I33 A34 I437 V439 T580 I583 | T31-I406 HydrophobicContact CG2-CG2 4.46Å; R32-I406 PolarHBondContact O-N 3.24Å; I33-I406 CarbonylContact C-O 3.59Å; I33-I406 WeakPolarHBondContact CA-O 3.26Å; I33-I406 HydrophobicContact CB-CG2 4.23Å; I33-I406 HydrophobicContact CG1-CG2 3.78Å; I33-I406 HydrophobicContact CG2-CG2 4.39Å; A34-I406 PolarHBondContact N-O 3.25Å; I406-I437 CarbonylContact C-O 3.49Å; I406-I437 VanDerWaalsContact CA-O 3.29Å; I406-I437 WeakPolarHBondContact CA-O 3.24Å; I406-I437 HydrophobicContact CB-CB 4.28Å; I406-I437 HydrophobicContact CD1-CB 4.21Å; I406-I437 HydrophobicContact CD1-CG2 3.81Å; I406-I437 HydrophobicContact CG1-CB 3.93Å; I406-I437 HydrophobicContact CG1-CG2 3.92Å; I406-V439 HydrophobicContact CD1-CG2 3.91Å; I406-V439 HydrophobicContact CG1-CG2 4.33Å; I406-T580 HydrophobicContact CD1-CG2 3.96Å; I406-T580 HydrophobicContact CG1-CG2 4.05Å; I406-T580 HydrophobicContact CG2-CG2 3.97Å; I406-I583 HydrophobicContact CD1-CB 3.73Å; I406-I583 HydrophobicContact CD1-CD1 4.07Å; I406-I583 HydrophobicContact CD1-CG2 3.66Å |
| 407 | V | 98.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.7 | 173.1 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | A34 W36 T399 M430 I436 I437 M438 V439 | A34-V407 HydrophobicContact CB-CG2 4.18Å; A34-V407 WeakPolarHBondContact O-CA 3.43Å; W36-V407 HydrophobicContact CD2-CG1 3.77Å; W36-V407 HydrophobicContact CE3-CG1 4.42Å; W36-V407 HydrophobicContact CG-CG1 3.85Å; W36-V407 HydrophobicContact CZ2-CG1 4.07Å; W36-V407 HydrophobicContact CZ2-CG2 3.92Å; T399-V407 HydrophobicContact CG2-CG2 3.5Å; T399-V407 VanDerWaalsContact CG2-CG2 3.5Å; V407-M430 HydrophobicContact CG2-CE 3.91Å; V407-M430 HydrophobicContact CG2-SD 4.37Å; V407-I436 HydrophobicContact CG2-CG2 3.92Å; V407-I437 PolarHBondContact N-O 2.97Å; V407-M438 HydrophobicContact CB-CB 4.48Å; V407-M438 HydrophobicContact CB-CG 4.16Å; V407-M438 HydrophobicContact CG1-CE 4.38Å; V407-M438 HydrophobicContact CG1-CG 4.24Å; V407-V439 PolarHBondContact O-N 2.84Å |
| 408 | N | 98.3 | Very high | 88 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.5 | 159.4 | -178 | 90.7 | 0 | 0 | 0 | 110 | A34 W36 V332 S410 A576 P577 T580 | A34-N408 PolarHBondContact O-N 2.88Å; W36-N408 PolarHBondContact N-O 3.46Å; V332-N408 WeakPolarHBondContact CG1-ND2 3.4Å; N408-S410 PolarHBondContact ND2-N 3.43Å; N408-S410 PolarHBondContact ND2-OG 3.36Å; N408-A576 WeakPolarHBondContact OD1-CB 3.45Å; N408-A576 PolarHBondContact OD1-O 3.22Å; N408-P577 WeakPolarHBondContact OD1-CA 3.5Å; N408-P577 WeakPolarHBondContact OD1-CD 3.49Å; N408-T580 HydrophobicContact CB-CG2 4.07Å; N408-T580 PolarHBondContact OD1-OG1 3.32Å |
| 409 | Y | 96.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 90.7 | 176.5 | -167.1 | -87.4 | 0 | 0 | 0 | 110.5 | W36 I378 E387 L392 F411 M438 V439 A440 S441 P455 Y1184 | W36-Y409 HydrophobicContact CB-CD2 3.8Å; W36-Y409 HydrophobicContact CB-CE2 4.32Å; W36-Y409 HydrophobicContact CD2-CD2 4.24Å; W36-Y409 AromaticContact CE3-CD2 3.59Å; W36-Y409 HydrophobicContact CE3-CD2 3.59Å; W36-Y409 AromaticContact CE3-CE2 3.83Å; W36-Y409 HydrophobicContact CE3-CE2 3.83Å; W36-Y409 HydrophobicContact CG-CD2 4.42Å; W36-Y409 HydrophobicContact CZ3-CD2 4.36Å; I378-Y409 HydrophobicContact CD1-CD2 4.24Å; I378-Y409 HydrophobicContact CD1-CE2 3.38Å; E387-Y409 WeakPolarHBondContact CG-OH 3.47Å; L392-Y409 HydrophobicContact CD2-CE2 3.71Å; Y409-F411 HydrophobicContact CD1-CB 4.1Å; Y409-F411 WeakPolarHBondContact CD1-O 3.45Å; Y409-F411 VanDerWaalsContact CE1-C 3.45Å; Y409-F411 HydrophobicContact CE1-CB 3.47Å; Y409-F411 VanDerWaalsContact CE1-CB 3.47Å; Y409-F411 WeakPolarHBondContact CE1-O 3.33Å; Y409-F411 HydrophobicContact CE2-CB 4.42Å; Y409-F411 PolarHBondContact O-N 3Å; Y409-M438 HydrophobicContact CD2-CE 3.88Å; Y409-M438 HydrophobicContact CG-CE 3.81Å; Y409-V439 PolarHBondContact N-O 3.37Å; Y409-A440 HydrophobicContact CD1-CB 4.3Å; Y409-A440 WeakPolarHBondContact O-CA 3.37Å; Y409-S441 PolarHBondContact O-N 2.86Å; Y409-S441 VanDerWaalsContact O-N 3.09Å; Y409-S441 PolarHBondContact O-OG 3.23Å; Y409-P455 HydrophobicContact CD1-CG 3.77Å; Y409-P455 HydrophobicContact CE1-CG 3.96Å; Y409-P455 HydrophobicContact CG-CG 4.34Å; Y409-Y1184 PolarHBondContact OH-OH 3.46Å |
| 410 | S | 91.2 | Very high | 86.9 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | trans | -89.8 | 23.5 | -176.4 | -75.7 | 0 | 0 | 0 | 0 | 113.7 | D37 H328 N408 S441 S573 | D37-S410 WeakPolarHBondContact OD2-CB 3.26Å; H328-S410 PolarHBondContact CE1-O 2.95Å; N408-S410 PolarHBondContact ND2-N 3.43Å; N408-S410 PolarHBondContact ND2-OG 3.36Å; S410-S441 WeakPolarHBondContact CA-OG 3.49Å; S410-S573 WeakPolarHBondContact CB-O 3.4Å; S410-S573 WeakPolarHBondContact O-CB 3.46Å; S410-S573 PolarHBondContact O-OG 3.01Å; S410-S573 PolarHBondContact OG-O 2.84Å | ||
| 411 | F | 82.7 | Confident | 86.5 | Confident | 29 Ų | 29 | 33 Ų | 33 | 13% | 0.127 | 17% | 0.165 | C | C | . | . | trans | -115.8 | 179.4 | -176.3 | -116.9 | -103 | 0 | 0 | 0 | 111.5 | T38 I378 P385 E387 Y409 S441 | T38-F411 HydrophobicContact CG2-CE2 3.73Å; T38-F411 HydrophobicContact CG2-CZ 4.14Å; I378-F411 HydrophobicContact CD1-CB 4.16Å; I378-F411 HydrophobicContact CD1-CG 4.2Å; P385-F411 HydrophobicContact CB-CZ 4.35Å; P385-F411 WeakPolarHBondContact O-CE1 3.49Å; P385-F411 WeakPolarHBondContact O-CZ 3.4Å; E387-F411 HydrophobicContact CB-CD1 4.36Å; E387-F411 VanDerWaalsContact OE2-CD1 3.28Å; E387-F411 WeakPolarHBondContact OE2-CD1 3.28Å; Y409-F411 HydrophobicContact CD1-CB 4.1Å; Y409-F411 WeakPolarHBondContact CD1-O 3.45Å; Y409-F411 VanDerWaalsContact CE1-C 3.45Å; Y409-F411 HydrophobicContact CE1-CB 3.47Å; Y409-F411 VanDerWaalsContact CE1-CB 3.47Å; Y409-F411 WeakPolarHBondContact CE1-O 3.33Å; Y409-F411 HydrophobicContact CE2-CB 4.42Å; Y409-F411 PolarHBondContact O-N 3Å; F411-S441 PolarHBondContact N-OG 2.76Å; F411-S441 PolarHBondContact O-OG 3.03Å | ||
| 412 | G | 80.8 | Confident | 86.2 | Confident | 20 Ų | 20 | 30.4 Ų | 30.4 | 21% | 0.206 | 15% | 0.152 | C | C | . | . | trans | 141.9 | 123 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | S453 C454 | G412-S453 WeakPolarHBondContact O-CB 3.4Å; G412-S453 PolarHBondContact O-OG 2.88Å; G412-C454 CarbonylContact C-O 3.55Å; G412-C454 WeakPolarHBondContact CA-O 3.21Å | ||
| 413 | E | 83 | Confident | 86 | Confident | 40 Ų | 40 | 29.1 Ų | 29.1 | 19% | 0.187 | 15% | 0.146 | C | C | . | . | trans | -80.1 | 174.2 | 172.6 | -67 | -75.4 | 176.1 | 0 | 0 | 113.6 | E387 C454 L1183 Y1184 Y1208 K1217 | E387-E413 PolarHBondContact OE1-N 2.94Å; E413-C454 WeakPolarHBondContact O-CB 3.32Å; E413-C454 PolarHBondContact O-N 2.86Å; E413-L1183 HydrophobicContact CB-CD2 4.49Å; E413-L1183 HydrophobicContact CG-CD2 4.29Å; E413-Y1184 HydrophobicContact CB-CE2 4.18Å; E413-Y1208 HydrophobicContact CB-CD1 4.4Å; E413-Y1208 HydrophobicContact CB-CE1 3.75Å; E413-Y1208 HydrophobicContact CG-CD1 4.11Å; E413-Y1208 HydrophobicContact CG-CE1 3.81Å; E413-K1217 IonicContact OE1-NZ 2.84Å; E413-K1217 PolarHBondContact OE1-NZ 2.98Å; E413-K1217 IonicContact OE2-NZ 2.96Å; E413-K1217 PolarHBondContact OE2-NZ 2.86Å | ||
| 414 | Q | 75.6 | Confident | 85.8 | Confident | 86 Ų | 86 | 21.5 Ų | 21.5 | 40% | 0.402 | 11% | 0.113 | S | C | . | . | trans | -74.6 | 149.9 | 172.6 | -73.5 | 176.4 | -39.2 | 0 | 0 | 111.5 | Y1208 | Q414-Y1208 PolarHBondContact O-OH 2.88Š| ||
| 415 | A | 75.2 | Confident | 85.4 | Confident | 11 Ų | 11 | 28.8 Ų | 28.8 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | trans | -128.4 | 125.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | W417 C454 T1185 | A415-W417 VanDerWaalsContact C-N 3.29Å; A415-W417 PolarHBondContact O-N 2.96Å; A415-C454 HydrophobicContact CB-CB 3.61Å; A415-T1185 HydrophobicContact CB-CG2 4.26Å | ||
| 416 | I | 69.8 | Low | 85.2 | Confident | 39 Ų | 39 | 29 Ų | 29 | 20% | 0.2 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -61.5 | -39 | -178.9 | -55.3 | 162.5 | 0 | 0 | 0 | 111 | D1181 | I416-D1181 HydrophobicContact CD1-CB 4.38Å; I416-D1181 WeakPolarHBondContact CD1-O 3.45Å |
| 417 | W | 75.2 | Confident | 85 | Confident | 58 Ų | 58 | 29.2 Ų | 29.2 | 22% | 0.22 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -126 | 106.7 | -177.5 | -59.5 | -62.3 | 0 | 0 | 0 | 110.7 | A415 I420 M1007 M1182 T1185 L1388 | A415-W417 VanDerWaalsContact C-N 3.29Å; A415-W417 PolarHBondContact O-N 2.96Å; W417-I420 HydrophobicContact CB-CB 4.11Å; W417-I420 HydrophobicContact CB-CD1 4.08Å; W417-I420 HydrophobicContact CB-CG2 4.34Å; W417-M1007 HydrophobicContact CZ2-CE 3.74Å; W417-M1182 HydrophobicContact CZ3-CG 4.42Å; W417-M1182 HydrophobicContact CZ3-SD 3.85Å; W417-T1185 HydrophobicContact CB-CG2 4.02Å; W417-T1185 HydrophobicContact CE3-CG2 4.07Å; W417-T1185 WeakPolarHBondContact O-CG2 3.45Å; W417-L1388 HydrophobicContact CE3-CD2 4.02Å; W417-L1388 HydrophobicContact CH2-CD2 4.42Å; W417-L1388 HydrophobicContact CZ3-CD2 3.69Å |
| 418 | P | 81.2 | Confident | 84.6 | Confident | 11 Ų | 11 | 30.2 Ų | 30.2 | 7% | 0.071 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 149.2 | 175.9 | -26.4 | 35.8 | 0 | 0 | 0 | 113.1 | I420 A539 F540 D541 | P418-I420 PolarHBondContact O-N 3.25Å; P418-A539 HydrophobicContact CG-CB 4.18Å; P418-F540 HydrophobicContact CG-CB 4.18Å; P418-D541 HydrophobicContact CB-CB 4.12Å; P418-D541 HydrophobicContact CG-CB 4.11Å |
| 419 | N | 82.6 | Confident | 84.2 | Confident | 30 Ų | 30 | 34.1 Ų | 34.1 | 16% | 0.16 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 6.3 | 176.1 | -148.5 | 28.7 | 0 | 0 | 0 | 116.9 | N428 T458 Q460 | N419-N428 PolarHBondContact OD1-ND2 2.73Å; N419-T458 PolarHBondContact N-O 2.78Å; N419-Q460 PolarHBondContact ND2-OE1 2.94Å; N419-Q460 WeakPolarHBondContact OD1-CB 3.39Å; N419-Q460 PolarHBondContact OD1-N 2.9Å |
| 420 | I | 82.1 | Confident | 83.9 | Confident | 58 Ų | 58 | 34 Ų | 34 | 30% | 0.297 | 16% | 0.164 | S | C | . | . | trans | -104.1 | 159.2 | -177.8 | -75.1 | 170 | 0 | 0 | 0 | 110.9 | W417 P418 S424 L1388 | W417-I420 HydrophobicContact CB-CB 4.11Å; W417-I420 HydrophobicContact CB-CD1 4.08Å; W417-I420 HydrophobicContact CB-CG2 4.34Å; P418-I420 PolarHBondContact O-N 3.25Å; I420-S424 VanDerWaalsContact O-CB 3.28Å; I420-S424 WeakPolarHBondContact O-CB 3.38Å; I420-S424 PolarHBondContact O-OG 3.46Å; I420-L1388 HydrophobicContact CG2-CD1 4.09Å | ||
| 421 | G | 82.6 | Confident | 84 | Confident | 13 Ų | 13 | 34 Ų | 34 | 13% | 0.134 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 96.6 | 164.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | I423 S424 K425 T1185 | G421-I423 PolarHBondContact O-N 3.31Å; G421-S424 PolarHBondContact O-N 2.95Å; G421-K425 PolarHBondContact O-N 2.78Å; G421-K425 VanDerWaalsContact O-N 3.1Å; G421-T1185 WeakPolarHBondContact CA-O 3.02Å |
| 422 | R | 85.1 | Confident | 84.2 | Confident | 28 Ų | 28 | 34.1 Ų | 34.1 | 11% | 0.106 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | -177.3 | -86 | -177.1 | 163.7 | -105 | -38.4 | 113 | K425 Y426 S1186 D1187 Y1188 S1189 H1235 E1236 | R422-K425 WeakPolarHBondContact O-CB 3.43Å; R422-K425 PolarHBondContact O-N 3.46Å; R422-Y426 WeakPolarHBondContact O-CD2 3.22Å; R422-Y426 PolarHBondContact O-N 2.91Å; R422-S1186 PolarHBondContact N-O 3.29Å; R422-D1187 WeakPolarHBondContact CD-O 3.38Å; R422-D1187 PolarHBondContact NE-O 3.16Å; R422-Y1188 VanDerWaalsContact CD-C 3.47Å; R422-S1189 PolarHBondContact NH1-OG 3.49Å; R422-H1235 VanDerWaalsContact CZ-NE2 3.34Å; R422-H1235 PolarHBondContact NE-CD2 3.49Å; R422-H1235 PolarHBondContact NE-NE2 2.74Å; R422-H1235 PolarHBondContact NH2-CD2 2.89Å; R422-H1235 PolarHBondContact NH2-NE2 2.81Å; R422-E1236 IonicContact CZ-OE1 2.99Å; R422-E1236 IonicContact CZ-OE2 3.48Å; R422-E1236 IonicContact NH1-OE1 2.68Å; R422-E1236 PolarHBondContact NH1-OE1 2.93Å; R422-E1236 IonicContact NH1-OE2 3.88Å; R422-E1236 IonicContact NH2-OE1 3.13Å; R422-E1236 PolarHBondContact NH2-OE1 3.14Å; R422-E1236 IonicContact NH2-OE2 2.77Å; R422-E1236 PolarHBondContact NH2-OE2 2.76Å |
| 423 | I | 87.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | -178.1 | -58.3 | -56 | 0 | 0 | 0 | 109.7 | L392 L393 G421 K425 Y426 L427 Y1184 | L392-I423 HydrophobicContact CB-CD1 4.44Å; L392-I423 HydrophobicContact CB-CG2 4.31Å; L392-I423 HydrophobicContact CD1-CG2 3.72Å; L393-I423 HydrophobicContact CD1-CD1 4.23Å; L393-I423 HydrophobicContact CD2-CD1 4.1Å; L393-I423 HydrophobicContact CG-CD1 3.9Å; G421-I423 PolarHBondContact O-N 3.31Å; I423-K425 VanDerWaalsContact C-N 3.28Å; I423-K425 PolarHBondContact O-N 3.35Å; I423-Y426 PolarHBondContact O-N 2.89Å; I423-L427 HydrophobicContact CG2-CD1 4.21Å; I423-L427 HydrophobicContact CG2-CG 4.37Å; I423-L427 WeakPolarHBondContact O-CG 3.38Å; I423-L427 PolarHBondContact O-N 2.71Å; I423-Y1184 HydrophobicContact CB-CD1 4.37Å; I423-Y1184 HydrophobicContact CG2-CD1 3.84Å; I423-Y1184 HydrophobicContact CG2-CE1 4.23Å |
| 424 | S | 88.5 | Confident | 84.7 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.3 | -41.7 | 174.5 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | I420 G421 N428 | I420-S424 VanDerWaalsContact O-CB 3.28Å; I420-S424 WeakPolarHBondContact O-CB 3.38Å; I420-S424 PolarHBondContact O-OG 3.46Å; G421-S424 PolarHBondContact O-N 2.95Å; S424-N428 WeakPolarHBondContact O-CB 3.36Å; S424-N428 PolarHBondContact O-N 2.96Å; S424-N428 PolarHBondContact O-ND2 3.43Å |
| 425 | K | 87.7 | Confident | 85.3 | Confident | 158 Ų | 158 | 32.2 Ų | 32.2 | 69% | 0.687 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -65.3 | -38.2 | 175.4 | -174.1 | 176 | -177.8 | 174.8 | 0 | 112.8 | G421 R422 I423 R429 | G421-K425 PolarHBondContact O-N 2.78Å; G421-K425 VanDerWaalsContact O-N 3.1Å; R422-K425 WeakPolarHBondContact O-CB 3.43Å; R422-K425 PolarHBondContact O-N 3.46Å; I423-K425 VanDerWaalsContact C-N 3.28Å; I423-K425 PolarHBondContact O-N 3.35Å; K425-R429 WeakPolarHBondContact O-CB 3.32Å; K425-R429 PolarHBondContact O-N 3.42Å |
| 426 | Y | 89.5 | Confident | 86.1 | Confident | 24 Ų | 24 | 32 Ų | 32 | 9% | 0.094 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -75.6 | -33.6 | 178.1 | -84.8 | -68.2 | 0 | 0 | 0 | 113.5 | L393 R422 I423 R429 M430 L1148 E1236 | L393-Y426 HydrophobicContact CD2-CD2 3.75Å; L393-Y426 HydrophobicContact CD2-CE2 4.45Å; L393-Y426 HydrophobicContact CD2-CG 3.93Å; R422-Y426 WeakPolarHBondContact O-CD2 3.22Å; R422-Y426 PolarHBondContact O-N 2.91Å; I423-Y426 PolarHBondContact O-N 2.89Å; Y426-R429 PolarHBondContact O-N 2.81Å; Y426-M430 PolarHBondContact O-N 3.02Å; Y426-L1148 HydrophobicContact CD1-CD2 4.15Å; Y426-L1148 HydrophobicContact CD2-CD2 4.43Å; Y426-L1148 HydrophobicContact CE1-CD2 3.63Å; Y426-L1148 HydrophobicContact CE2-CD2 3.94Å; Y426-E1236 WeakPolarHBondContact CE2-OE1 3.21Å; Y426-E1236 VanDerWaalsContact OH-CD 3.24Å; Y426-E1236 PolarHBondContact OH-OE1 2.82Å |
| 427 | L | 92.2 | Very high | 87.4 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.6 | -48.4 | 170.2 | -64.9 | 177.6 | 0 | 0 | 0 | 111.2 | W36 I396 I423 R429 M430 I431 M438 P455 V459 | W36-L427 HydrophobicContact CH2-CD2 3.91Å; W36-L427 HydrophobicContact CZ3-CD2 3.86Å; I396-L427 HydrophobicContact CD1-CD2 3.77Å; I396-L427 HydrophobicContact CD1-CG 4.36Å; I396-L427 HydrophobicContact CG1-CD2 3.98Å; I423-L427 HydrophobicContact CG2-CD1 4.21Å; I423-L427 HydrophobicContact CG2-CG 4.37Å; I423-L427 WeakPolarHBondContact O-CG 3.38Å; I423-L427 PolarHBondContact O-N 2.71Å; L427-R429 VanDerWaalsContact C-N 3.28Å; L427-R429 PolarHBondContact O-N 2.69Å; L427-M430 HydrophobicContact CD2-CE 4.44Å; L427-M430 WeakPolarHBondContact O-CB 3.48Å; L427-M430 PolarHBondContact O-N 2.68Å; L427-I431 WeakPolarHBondContact O-CG1 3.35Å; L427-I431 PolarHBondContact O-N 3.47Å; L427-M438 HydrophobicContact CD1-CE 4.39Å; L427-M438 HydrophobicContact CD1-SD 4.45Å; L427-M438 HydrophobicContact CD2-CE 3.98Å; L427-M438 HydrophobicContact CD2-SD 3.87Å; L427-P455 HydrophobicContact CD1-CB 3.84Å; L427-P455 HydrophobicContact CD1-CG 4.32Å; L427-V459 HydrophobicContact CB-CG1 4.42Å |
| 428 | N | 90 | Very high | 88.4 | Confident | 22 Ų | 22 | 27.5 Ų | 27.5 | 12% | 0.118 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55 | -42.4 | 172.6 | -82.7 | -63.1 | 0 | 0 | 0 | 111.7 | N419 S424 I431 H432 Q460 | N419-N428 PolarHBondContact OD1-ND2 2.73Å; S424-N428 WeakPolarHBondContact O-CB 3.36Å; S424-N428 PolarHBondContact O-N 2.96Å; S424-N428 PolarHBondContact O-ND2 3.43Å; N428-I431 PolarHBondContact O-N 3.29Å; N428-H432 WeakPolarHBondContact O-CB 3.3Å; N428-H432 PolarHBondContact O-CD2 3.2Å; N428-H432 VanDerWaalsContact O-CD2 3.31Å; N428-H432 PolarHBondContact O-N 2.93Å; N428-Q460 PolarHBondContact OD1-O 2.84Å |
| 429 | R | 89 | Confident | 89.2 | Confident | 81 Ų | 81 | 27 Ų | 27 | 31% | 0.306 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -65.7 | -39.3 | 174.9 | -173.7 | 178.6 | 174.9 | 103.8 | -9.9 | 112.4 | K425 Y426 L427 I431 K433 E753 N1150 | K425-R429 WeakPolarHBondContact O-CB 3.32Å; K425-R429 PolarHBondContact O-N 3.42Å; Y426-R429 PolarHBondContact O-N 2.81Å; L427-R429 VanDerWaalsContact C-N 3.28Å; L427-R429 PolarHBondContact O-N 2.69Å; R429-I431 VanDerWaalsContact C-N 3.31Å; R429-I431 PolarHBondContact O-N 2.95Å; R429-K433 HydrophobicContact CG-CB 4.15Å; R429-K433 HydrophobicContact CG-CD 4.01Å; R429-K433 WeakPolarHBondContact O-CB 3.41Å; R429-K433 PolarHBondContact O-N 2.9Å; R429-E753 IonicContact NH1-OE1 2.66Å; R429-N1150 PolarHBondContact NH2-ND2 2.85Å; R429-N1150 PolarHBondContact NH2-OD1 2.86Å |
| 430 | M | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 175.8 | -173.2 | -178.9 | 69.8 | 0 | 0 | 111 | W36 I396 T399 I400 V407 Y426 L427 Y434 I436 M438 | W36-M430 HydrophobicContact CH2-CE 3.83Å; W36-M430 HydrophobicContact CH2-SD 3.71Å; W36-M430 HydrophobicContact CZ2-CE 4Å; W36-M430 HydrophobicContact CZ2-SD 3.63Å; I396-M430 HydrophobicContact CB-SD 4.34Å; I396-M430 HydrophobicContact CG1-SD 4.07Å; I396-M430 HydrophobicContact CG2-CB 4.13Å; I396-M430 HydrophobicContact CG2-CG 4.28Å; I396-M430 HydrophobicContact CG2-SD 4.22Å; T399-M430 HydrophobicContact CG2-SD 4.27Å; I400-M430 HydrophobicContact CD1-CG 4.49Å; I400-M430 HydrophobicContact CG1-CG 4.43Å; V407-M430 HydrophobicContact CG2-CE 3.91Å; V407-M430 HydrophobicContact CG2-SD 4.37Å; Y426-M430 PolarHBondContact O-N 3.02Å; L427-M430 HydrophobicContact CD2-CE 4.44Å; L427-M430 WeakPolarHBondContact O-CB 3.48Å; L427-M430 PolarHBondContact O-N 2.68Å; M430-Y434 WeakPolarHBondContact O-CB 3.37Å; M430-Y434 PolarHBondContact O-N 2.91Å; M430-I436 HydrophobicContact CE-CG2 4.33Å; M430-I436 HydrophobicContact CG-CB 4.24Å; M430-I436 HydrophobicContact CG-CD1 3.82Å; M430-I436 HydrophobicContact CG-CG2 4.43Å; M430-I436 HydrophobicContact SD-CG2 4.48Å; M430-M438 HydrophobicContact CE-CB 4.36Å; M430-M438 HydrophobicContact CE-CG 4.43Å; M430-M438 HydrophobicContact CE-SD 3.89Å |
| 431 | I | 91.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.6 | -61.8 | -179.6 | -62.4 | 162.6 | 0 | 0 | 0 | 110.5 | L427 N428 R429 K433 G435 I436 M438 V462 | L427-I431 WeakPolarHBondContact O-CG1 3.35Å; L427-I431 PolarHBondContact O-N 3.47Å; N428-I431 PolarHBondContact O-N 3.29Å; R429-I431 VanDerWaalsContact C-N 3.31Å; R429-I431 PolarHBondContact O-N 2.95Å; I431-K433 PolarHBondContact O-N 2.75Å; I431-G435 WeakPolarHBondContact O-CA 3.39Å; I431-G435 PolarHBondContact O-N 2.93Å; I431-I436 WeakPolarHBondContact CA-O 3.19Å; I431-M438 HydrophobicContact CD1-CB 4.16Å; I431-M438 HydrophobicContact CG1-CB 4.27Å; I431-V462 HydrophobicContact CD1-CG2 3.92Å |
| 432 | H | 87.8 | Confident | 91 | Very high | 30 Ų | 30 | 22.4 Ų | 22.4 | 14% | 0.139 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -82.2 | -12 | -168.5 | -66.6 | -67.6 | 0 | 0 | 0 | 115.8 | N428 H702 D752 E753 | N428-H432 WeakPolarHBondContact O-CB 3.3Å; N428-H432 PolarHBondContact O-CD2 3.2Å; N428-H432 VanDerWaalsContact O-CD2 3.31Å; N428-H432 PolarHBondContact O-N 2.93Å; H432-H702 AromaticContact CE1-CE1 3.33Å; H432-H702 PolarHBondContact CE1-CE1 3.04Å; H432-H702 AromaticContact CE1-ND1 3.39Å; H432-H702 PolarHBondContact CE1-ND1 2.71Å; H432-H702 AromaticContact ND1-CE1 3.97Å; H432-H702 AromaticContact ND1-ND1 3.95Å; H432-H702 AromaticContact NE2-CE1 3.69Å; H432-D752 IonicContact CE1-OD1 2.72Å; H432-D752 IonicContact CG-OD1 3.18Å; H432-D752 IonicContact ND1-OD1 3.59Å; H432-D752 PolarHBondContact ND1-OD1 2.65Å; H432-D752 VanDerWaalsContact O-CA 3.27Å; H432-D752 WeakPolarHBondContact O-CA 3.17Å; H432-D752 VanDerWaalsContact O-CB 3.25Å; H432-D752 WeakPolarHBondContact O-CB 3.45Å; H432-E753 PolarHBondContact O-N 3.46Å |
| 433 | K | 86.7 | Confident | 91.2 | Very high | 51 Ų | 51 | 21.3 Ų | 21.3 | 22% | 0.222 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -99 | -35.3 | 175 | -173.1 | -179.6 | 178.3 | 75.3 | 0 | 112.9 | R429 I431 E753 | R429-K433 HydrophobicContact CG-CB 4.15Å; R429-K433 HydrophobicContact CG-CD 4.01Å; R429-K433 WeakPolarHBondContact O-CB 3.41Å; R429-K433 PolarHBondContact O-N 2.9Å; I431-K433 PolarHBondContact O-N 2.75Å; K433-E753 HydrophobicContact CB-CB 4.5Å; K433-E753 HydrophobicContact CB-CG 4.48Å; K433-E753 VanDerWaalsContact CD-OE1 3.24Å; K433-E753 WeakPolarHBondContact CD-OE1 3.32Å; K433-E753 HydrophobicContact CG-CB 4.18Å; K433-E753 HydrophobicContact CG-CG 4.22Å; K433-E753 WeakPolarHBondContact CG-OE1 3.45Å; K433-E753 IonicContact NZ-OE1 3.08Å; K433-E753 PolarHBondContact NZ-OE1 3.47Å; K433-E753 IonicContact NZ-OE2 2.81Å; K433-E753 PolarHBondContact NZ-OE2 2.97Å |
| 434 | Y | 87.4 | Confident | 91.3 | Very high | 50 Ų | 50 | 24.1 Ų | 24.1 | 20% | 0.196 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -110.8 | -8.9 | -172.4 | -56.7 | -85.9 | 0 | 0 | 0 | 113.5 | I400 M430 K603 | I400-Y434 HydrophobicContact CD1-CD2 3.69Å; I400-Y434 HydrophobicContact CD1-CE1 4.44Å; I400-Y434 HydrophobicContact CD1-CE2 3.5Å; I400-Y434 HydrophobicContact CD1-CG 4.24Å; I400-Y434 HydrophobicContact CG1-CD1 4.36Å; I400-Y434 HydrophobicContact CG1-CD2 3.97Å; I400-Y434 HydrophobicContact CG1-CE2 4.22Å; I400-Y434 HydrophobicContact CG1-CG 4.04Å; I400-Y434 HydrophobicContact CG2-CD1 3.67Å; I400-Y434 HydrophobicContact CG2-CE1 3.61Å; I400-Y434 HydrophobicContact CG2-CG 4.21Å; M430-Y434 WeakPolarHBondContact O-CB 3.37Å; M430-Y434 PolarHBondContact O-N 2.91Å; Y434-K603 PolarHBondContact O-NZ 2.67Å |
| 435 | G | 87.6 | Confident | 91.2 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 6% | 0.062 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 33.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I431 | I431-G435 WeakPolarHBondContact O-CA 3.39Å; I431-G435 PolarHBondContact O-N 2.93Å |
| 436 | I | 93.3 | Very high | 91.1 | Very high | 7 Ų | 7 | 18.2 Ų | 18.2 | 4% | 0.036 | 9% | 0.086 | C | C | . | . | trans | -93.7 | 125.4 | -179.3 | -62.1 | 169.1 | 0 | 0 | 0 | 108.3 | T399 I400 V407 M430 I431 | T399-I436 HydrophobicContact CG2-CD1 4.19Å; T399-I436 HydrophobicContact CG2-CG2 4.15Å; I400-I436 HydrophobicContact CG1-CD1 3.72Å; V407-I436 HydrophobicContact CG2-CG2 3.92Å; M430-I436 HydrophobicContact CE-CG2 4.33Å; M430-I436 HydrophobicContact CG-CB 4.24Å; M430-I436 HydrophobicContact CG-CD1 3.82Å; M430-I436 HydrophobicContact CG-CG2 4.43Å; M430-I436 HydrophobicContact SD-CG2 4.48Å; I431-I436 WeakPolarHBondContact CA-O 3.19Å | ||
| 437 | I | 96.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 137.1 | 177.7 | -61.3 | 147.8 | 0 | 0 | 0 | 108.5 | D405 I406 V407 V439 I463 I583 L587 I609 | D405-I437 PolarHBondContact O-N 3.23Å; D405-I437 VanDerWaalsContact O-N 3.12Å; I406-I437 CarbonylContact C-O 3.49Å; I406-I437 VanDerWaalsContact CA-O 3.29Å; I406-I437 WeakPolarHBondContact CA-O 3.24Å; I406-I437 HydrophobicContact CB-CB 4.28Å; I406-I437 HydrophobicContact CD1-CB 4.21Å; I406-I437 HydrophobicContact CD1-CG2 3.81Å; I406-I437 HydrophobicContact CG1-CB 3.93Å; I406-I437 HydrophobicContact CG1-CG2 3.92Å; V407-I437 PolarHBondContact N-O 2.97Å; I437-V439 HydrophobicContact CG2-CG2 4.44Å; I437-I463 HydrophobicContact CG2-CD1 3.84Å; I437-I583 HydrophobicContact CD1-CG2 4.15Å; I437-I583 HydrophobicContact CG2-CD1 4.39Å; I437-L587 HydrophobicContact CD1-CD1 3.95Å; I437-L587 HydrophobicContact CD1-CD2 4.24Å; I437-I609 HydrophobicContact CD1-CG1 3.83Å; I437-I609 HydrophobicContact CG1-CG1 4.23Å; I437-I609 HydrophobicContact CG2-CG2 4.46Å |
| 438 | M | 96.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 118.6 | 177.1 | -172 | 175 | -173.1 | 0 | 0 | 110.9 | W36 V407 Y409 L427 M430 I431 P455 V462 I463 | W36-M438 HydrophobicContact CZ3-CE 4.15Å; V407-M438 HydrophobicContact CB-CB 4.48Å; V407-M438 HydrophobicContact CB-CG 4.16Å; V407-M438 HydrophobicContact CG1-CE 4.38Å; V407-M438 HydrophobicContact CG1-CG 4.24Å; Y409-M438 HydrophobicContact CD2-CE 3.88Å; Y409-M438 HydrophobicContact CG-CE 3.81Å; L427-M438 HydrophobicContact CD1-CE 4.39Å; L427-M438 HydrophobicContact CD1-SD 4.45Å; L427-M438 HydrophobicContact CD2-CE 3.98Å; L427-M438 HydrophobicContact CD2-SD 3.87Å; M430-M438 HydrophobicContact CE-CB 4.36Å; M430-M438 HydrophobicContact CE-CG 4.43Å; M430-M438 HydrophobicContact CE-SD 3.89Å; I431-M438 HydrophobicContact CD1-CB 4.16Å; I431-M438 HydrophobicContact CG1-CB 4.27Å; M438-P455 HydrophobicContact CE-CG 3.97Å; M438-V462 HydrophobicContact CG-CG1 4.33Å; M438-V462 HydrophobicContact CG-CG2 4.4Å; M438-V462 HydrophobicContact SD-CG2 3.96Å; M438-I463 PolarHBondContact O-N 3.24Å |
| 439 | V | 98 | Very high | 90.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.7 | 176 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | I406 V407 Y409 I437 I463 V465 A576 V579 T580 I583 | I406-V439 HydrophobicContact CD1-CG2 3.91Å; I406-V439 HydrophobicContact CG1-CG2 4.33Å; V407-V439 PolarHBondContact O-N 2.84Å; Y409-V439 PolarHBondContact N-O 3.37Å; I437-V439 HydrophobicContact CG2-CG2 4.44Å; V439-I463 HydrophobicContact CG2-CB 4.3Å; V439-I463 HydrophobicContact CG2-CD1 4.32Å; V439-V465 HydrophobicContact CG1-CG2 3.55Å; V439-A576 HydrophobicContact CG1-CB 4.22Å; V439-A576 WeakPolarHBondContact CG1-O 3.42Å; V439-V579 HydrophobicContact CG1-CB 4Å; V439-V579 HydrophobicContact CG1-CG1 3.87Å; V439-V579 HydrophobicContact CG2-CG1 4.24Å; V439-T580 WeakPolarHBondContact CB-OG1 3.24Å; V439-I583 HydrophobicContact CG2-CD1 3.76Å |
| 440 | A | 97 | Very high | 90.7 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 150 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y409 G442 P455 V462 I463 G464 V465 | Y409-A440 HydrophobicContact CD1-CB 4.3Å; Y409-A440 WeakPolarHBondContact O-CA 3.37Å; A440-G442 PolarHBondContact O-N 3.18Å; A440-P455 HydrophobicContact CB-CG 4.24Å; A440-V462 HydrophobicContact CB-CG1 3.69Å; A440-I463 PolarHBondContact N-O 2.82Å; A440-G464 WeakPolarHBondContact O-CA 3.37Å; A440-V465 PolarHBondContact O-N 2.79Å |
| 441 | S | 95.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 12.6 Ų | 12.6 | 2% | 0.021 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 128 | 172.4 | 27.4 | 0 | 0 | 0 | 0 | 111.6 | Y409 S410 F411 G443 S572 | Y409-S441 PolarHBondContact O-N 2.86Å; Y409-S441 VanDerWaalsContact O-N 3.09Å; Y409-S441 PolarHBondContact O-OG 3.23Å; S410-S441 WeakPolarHBondContact CA-OG 3.49Å; F411-S441 PolarHBondContact N-OG 2.76Å; F411-S441 PolarHBondContact O-OG 3.03Å; S441-G443 PolarHBondContact O-N 3.17Å; S441-S572 VanDerWaalsContact CB-OG 3.29Å; S441-S572 WeakPolarHBondContact CB-OG 3.19Å |
| 442 | G | 91.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 13 Ų | 13 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | trans | -66.9 | -18.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | A440 S453 V465 S535 | A440-G442 PolarHBondContact O-N 3.18Å; G442-S453 PolarHBondContact O-N 2.82Å; G442-V465 PolarHBondContact N-O 3.4Å; G442-S535 WeakPolarHBondContact O-CB 3.31Å | ||
| 443 | G | 90.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 4% | 0.041 | 6% | 0.062 | C | C | . | . | trans | 119.8 | 164.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S441 S453 S535 S572 | S441-G443 PolarHBondContact O-N 3.17Å; G443-S453 WeakPolarHBondContact CA-OG 3.26Å; G443-S535 VanDerWaalsContact CA-OG 3.29Å; G443-S535 WeakPolarHBondContact CA-OG 3.25Å; G443-S535 PolarHBondContact O-N 3.45Å; G443-S535 PolarHBondContact O-OG 2.68Å; G443-S572 PolarHBondContact N-OG 2.76Å; G443-S572 PolarHBondContact O-OG 3.08Å | ||
| 444 | N | 89.9 | Confident | 90.4 | Very high | 60 Ų | 60 | 9.4 Ų | 9.4 | 32% | 0.321 | 5% | 0.052 | S | C | . | . | S | Bend | trans | -120.5 | 34.8 | -179.5 | -54.4 | -31.8 | 0 | 0 | 0 | 111.2 | W533 S535 S572 | N444-W533 CarbonylContact C-O 3.51Å; N444-W533 VanDerWaalsContact CA-O 3.26Å; N444-W533 WeakPolarHBondContact CA-O 3.23Å; N444-W533 HydrophobicContact CB-CE3 3.91Å; N444-W533 HydrophobicContact CB-CZ3 4.42Å; N444-W533 VanDerWaalsContact O-O 3.11Å; N444-W533 WeakPolarHBondContact OD1-CZ3 3.27Å; N444-S535 PolarHBondContact N-OG 3.02Å; N444-S572 WeakPolarHBondContact OD1-CB 3.24Å; N444-S572 PolarHBondContact OD1-N 3.29Å; N444-S572 PolarHBondContact OD1-OG 3.11Å |
| 445 | N | 85 | Confident | 90.7 | Very high | 37 Ų | 37 | 7 Ų | 7 | 20% | 0.198 | 4% | 0.043 | C | C | . | . | trans | -113.4 | 15.9 | -173.1 | -65 | -48 | 0 | 0 | 0 | 114.6 | S448 S451 W533 S535 R1015 | N445-S448 PolarHBondContact O-OG 3.19Å; N445-S451 WeakPolarHBondContact CB-O 3.31Å; N445-S451 WeakPolarHBondContact O-CB 3.09Å; N445-W533 PolarHBondContact N-O 2.98Å; N445-W533 VanDerWaalsContact N-O 3.09Å; N445-S535 PolarHBondContact N-OG 2.78Å; N445-R1015 VanDerWaalsContact C-NH2 3.33Å; N445-R1015 PolarHBondContact O-NH2 3.4Å | ||
| 446 | G | 87 | Confident | 90.7 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.041 | C | C | . | . | trans | -76.5 | -174.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N532 W533 G534 R1015 | G446-N532 CarbonylContact C-O 3.5Å; G446-N532 VanDerWaalsContact C-O 3.28Å; G446-W533 PolarHBondContact N-O 3.4Å; G446-G534 VanDerWaalsContact CA-O 3.28Å; G446-G534 WeakPolarHBondContact CA-O 3.38Å; G446-G534 PolarHBondContact N-O 3.44Å; G446-R1015 PolarHBondContact O-NH1 3.45Å | ||
| 447 | P | 89.1 | Confident | 90.2 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.039 | C | C | . | . | S | Bend | cis | -88.5 | -1.4 | 13.4 | 32.7 | -38.1 | 0 | 0 | 0 | 116.2 | N532 V965 R967 T997 T999 T1066 A1068 | P447-N532 VanDerWaalsContact CA-O 3.26Å; P447-N532 WeakPolarHBondContact CA-O 3.44Å; P447-N532 VanDerWaalsContact CB-O 3.25Å; P447-N532 WeakPolarHBondContact CB-O 3.36Å; P447-N532 VanDerWaalsContact CD-O 3.26Å; P447-N532 WeakPolarHBondContact CD-O 3.08Å; P447-V965 HydrophobicContact CB-CG1 4.16Å; P447-R967 PolarHBondContact O-NH2 3.33Å; P447-T997 HydrophobicContact CG-CG2 4.3Å; P447-T999 HydrophobicContact CG-CG2 4.37Å; P447-T1066 HydrophobicContact CB-CG2 3.77Å; P447-T1066 HydrophobicContact CG-CG2 3.61Å; P447-A1068 HydrophobicContact CB-CB 4.04Å; P447-A1068 HydrophobicContact CG-CB 3.87Å |
| 448 | S | 88.6 | Confident | 89.8 | Confident | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -53.8 | 147 | 176.3 | 43.5 | 0 | 0 | 0 | 0 | 113.4 | N445 S451 E1013 E1064 | N445-S448 PolarHBondContact O-OG 3.19Å; S448-S451 WeakPolarHBondContact O-CB 3.35Å; S448-S451 PolarHBondContact O-OG 3.02Å; S448-E1013 WeakPolarHBondContact CB-OE2 3.45Å; S448-E1013 VanDerWaalsContact OG-CD 3.32Å; S448-E1013 PolarHBondContact OG-OE2 2.97Å; S448-E1064 WeakPolarHBondContact CA-OE1 3.48Å |
| 449 | L | 88.6 | Confident | 89.6 | Confident | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | B | Isolated β-bridge | trans | -78.5 | 140.7 | 173.7 | -57.3 | -178.9 | 0 | 0 | 0 | 111 | R536 G537 L626 W720 P911 F969 N1001 E1064 | L449-R536 HydrophobicContact CD2-CB 3.96Å; L449-R536 HydrophobicContact CD2-CG 4.34Å; L449-G537 WeakPolarHBondContact CD2-O 3.47Å; L449-L626 HydrophobicContact CD1-CD1 4.35Å; L449-L626 HydrophobicContact CD2-CD1 4.03Å; L449-W720 HydrophobicContact CB-CZ2 3.89Å; L449-W720 VanDerWaalsContact O-CH2 3.29Å; L449-W720 WeakPolarHBondContact O-CH2 3.17Å; L449-P911 HydrophobicContact CD1-CB 4.34Å; L449-P911 HydrophobicContact CD1-CG 4.06Å; L449-F969 HydrophobicContact CD1-CE1 4.14Å; L449-F969 HydrophobicContact CD1-CZ 3.8Å; L449-N1001 PolarHBondContact O-ND2 2.88Å; L449-N1001 VanDerWaalsContact O-ND2 3.15Å; L449-E1064 PolarHBondContact N-OE1 2.81Å; L449-E1064 VanDerWaalsContact N-OE1 3.13Å; L449-E1064 PolarHBondContact N-OE2 2.87Å; L449-E1064 VanDerWaalsContact N-OE2 3.08Å |
| 450 | G | 84.5 | Confident | 89.1 | Confident | 7 Ų | 7 | 7.8 Ų | 7.8 | 7% | 0.072 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 13.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L452 R536 P538 F540 | G450-L452 PolarHBondContact O-N 3Å; G450-R536 PolarHBondContact N-O 2.83Å; G450-R536 VanDerWaalsContact N-O 3.12Å; G450-P538 VanDerWaalsContact CA-O 3.23Å; G450-P538 WeakPolarHBondContact CA-O 3.08Å; G450-F540 WeakPolarHBondContact O-CE2 3.42Å |
| 451 | S | 87.6 | Confident | 88.7 | Confident | 3 Ų | 3 | 8.7 Ų | 8.7 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | trans | -81.9 | 12.1 | -177 | 49.4 | 0 | 0 | 0 | 0 | 115 | N445 S448 S535 R536 | N445-S451 WeakPolarHBondContact CB-O 3.31Å; N445-S451 WeakPolarHBondContact O-CB 3.09Å; S448-S451 WeakPolarHBondContact O-CB 3.35Å; S448-S451 PolarHBondContact O-OG 3.02Å; S451-S535 WeakPolarHBondContact O-CB 3.36Å; S451-S535 PolarHBondContact O-OG 3.35Å; S451-S535 WeakPolarHBondContact OG-CA 3.32Å; S451-R536 PolarHBondContact N-O 3.4Å; S451-R536 PolarHBondContact OG-N 3.27Å | ||
| 452 | L | 88.5 | Confident | 88.6 | Confident | 9 Ų | 9 | 8.8 Ų | 8.8 | 5% | 0.047 | 6% | 0.056 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 136.7 | -172.2 | -66.7 | 174.2 | 0 | 0 | 0 | 114.1 | G450 A539 I546 | G450-L452 PolarHBondContact O-N 3Å; L452-A539 HydrophobicContact CD1-CB 3.99Å; L452-I546 HydrophobicContact CD2-CD1 3.87Å; L452-I546 HydrophobicContact CD2-CG1 3.75Å |
| 453 | S | 88.2 | Confident | 88.9 | Confident | 4 Ų | 4 | 8.7 Ų | 8.7 | 3% | 0.028 | 6% | 0.055 | C | C | . | . | P | Polyproline II helix | trans | -80.4 | 152.4 | 172.2 | -77.9 | 0 | 0 | 0 | 0 | 112.3 | G412 G442 G443 G456 G457 | G412-S453 WeakPolarHBondContact O-CB 3.4Å; G412-S453 PolarHBondContact O-OG 2.88Å; G442-S453 PolarHBondContact O-N 2.82Å; G443-S453 WeakPolarHBondContact CA-OG 3.26Å; S453-G456 PolarHBondContact O-N 3.14Å; S453-G457 PolarHBondContact O-N 3.13Å |
| 454 | C | 88.9 | Confident | 89.1 | Confident | 2 Ų | 2 | 8.5 Ų | 8.5 | 1% | 0.014 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 137.6 | 169.3 | -163.9 | 0 | 0 | 0 | 0 | 110 | G412 E413 A415 T458 Y1184 | G412-C454 CarbonylContact C-O 3.55Å; G412-C454 WeakPolarHBondContact CA-O 3.21Å; E413-C454 WeakPolarHBondContact O-CB 3.32Å; E413-C454 PolarHBondContact O-N 2.86Å; A415-C454 HydrophobicContact CB-CB 3.61Å; C454-T458 VanDerWaalsContact CA-OG1 3.28Å; C454-T458 WeakPolarHBondContact CA-OG1 3.38Å; C454-T458 HydrophobicContact CB-CG2 4.45Å; C454-T458 WeakPolarHBondContact CB-OG1 3.39Å; C454-T458 PolarHBondContact SG-OG1 3.38Å; C454-Y1184 HydrophobicContact CB-CD1 4.4Å; C454-Y1184 HydrophobicContact CB-CD2 3.8Å; C454-Y1184 HydrophobicContact CB-CE2 4.09Å; C454-Y1184 HydrophobicContact CB-CG 3.99Å; C454-Y1184 VanDerWaalsContact SG-CB 3.52Å; C454-Y1184 WeakPolarHBondContact SG-CD1 3.46Å |
| 455 | P | 92.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.006 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -82.5 | -16.7 | 2.6 | 33.5 | -35.3 | 0 | 0 | 0 | 114.5 | Y409 L427 M438 A440 G457 T458 V459 V462 | Y409-P455 HydrophobicContact CD1-CG 3.77Å; Y409-P455 HydrophobicContact CE1-CG 3.96Å; Y409-P455 HydrophobicContact CG-CG 4.34Å; L427-P455 HydrophobicContact CD1-CB 3.84Å; L427-P455 HydrophobicContact CD1-CG 4.32Å; M438-P455 HydrophobicContact CE-CG 3.97Å; A440-P455 HydrophobicContact CB-CG 4.24Å; P455-G457 PolarHBondContact O-N 2.86Å; P455-T458 PolarHBondContact O-N 2.98Å; P455-T458 VanDerWaalsContact O-N 3.1Å; P455-V459 HydrophobicContact CB-CB 4.11Å; P455-V459 HydrophobicContact CB-CG2 3.7Å; P455-V459 PolarHBondContact O-N 3.32Å; P455-V462 HydrophobicContact CB-CG2 4.5Å |
| 456 | G | 88.3 | Confident | 90 | Very high | 1 Ų | 1 | 3.9 Ų | 3.9 | 1% | 0.01 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -40.6 | -159 | 0 | 0 | 0 | 0 | 0 | 116.4 | S453 G464 | S453-G456 PolarHBondContact O-N 3.14Å; G456-G464 WeakPolarHBondContact O-CA 3.28Å; G456-G464 PolarHBondContact O-N 3.28Å |
| 457 | G | 83.1 | Confident | 90.4 | Very high | 1 Ų | 1 | 4.1 Ų | 4.1 | 1% | 0.01 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -0.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | S453 P455 G545 | S453-G457 PolarHBondContact O-N 3.13Å; P455-G457 PolarHBondContact O-N 2.86Å; G457-G545 WeakPolarHBondContact O-CA 3.43Å |
| 458 | T | 88.3 | Confident | 90.5 | Very high | 4 Ų | 4 | 4.1 Ų | 4.1 | 3% | 0.025 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -26.6 | -164.7 | 63.4 | 0 | 0 | 0 | 0 | 114.7 | N419 C454 P455 R717 | N419-T458 PolarHBondContact N-O 2.78Å; C454-T458 VanDerWaalsContact CA-OG1 3.28Å; C454-T458 WeakPolarHBondContact CA-OG1 3.38Å; C454-T458 HydrophobicContact CB-CG2 4.45Å; C454-T458 WeakPolarHBondContact CB-OG1 3.39Å; C454-T458 PolarHBondContact SG-OG1 3.38Å; P455-T458 PolarHBondContact O-N 2.98Å; P455-T458 VanDerWaalsContact O-N 3.1Å; T458-R717 PolarHBondContact O-NH1 2.74Å; T458-R717 PolarHBondContact O-NH2 3.3Å |
| 459 | V | 90.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 4.1 Ų | 4.1 | 4% | 0.036 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -93.7 | 144.6 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | L427 P455 V462 | L427-V459 HydrophobicContact CB-CG1 4.42Å; P455-V459 HydrophobicContact CB-CB 4.11Å; P455-V459 HydrophobicContact CB-CG2 3.7Å; P455-V459 PolarHBondContact O-N 3.32Å; V459-V462 HydrophobicContact CB-CG2 4Å; V459-V462 HydrophobicContact CG1-CG2 4.01Å |
| 460 | Q | 88.4 | Confident | 90.5 | Very high | 18 Ų | 18 | 4.7 Ų | 4.7 | 8% | 0.084 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 151.1 | 176.3 | -175.4 | 169.8 | -17.6 | 0 | 0 | 111.4 | N419 N428 V462 H702 R704 | N419-Q460 PolarHBondContact ND2-OE1 2.94Å; N419-Q460 WeakPolarHBondContact OD1-CB 3.39Å; N419-Q460 PolarHBondContact OD1-N 2.9Å; N428-Q460 PolarHBondContact OD1-O 2.84Å; Q460-V462 PolarHBondContact O-N 3.48Å; Q460-H702 PolarHBondContact NE2-NE2 3.25Å; Q460-R704 VanDerWaalsContact OE1-CZ 3.28Å |
| 461 | G | 87.6 | Confident | 90.3 | Very high | 19 Ų | 19 | 5.9 Ų | 5.9 | 20% | 0.196 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | -12.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 462 | V | 94.4 | Very high | 89.9 | Confident | 5 Ų | 5 | 9.6 Ų | 9.6 | 3% | 0.03 | 6% | 0.058 | C | C | . | . | trans | -80.5 | 137.5 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | I431 M438 A440 P455 V459 Q460 G464 | I431-V462 HydrophobicContact CD1-CG2 3.92Å; M438-V462 HydrophobicContact CG-CG1 4.33Å; M438-V462 HydrophobicContact CG-CG2 4.4Å; M438-V462 HydrophobicContact SD-CG2 3.96Å; A440-V462 HydrophobicContact CB-CG1 3.69Å; P455-V462 HydrophobicContact CB-CG2 4.5Å; V459-V462 HydrophobicContact CB-CG2 4Å; V459-V462 HydrophobicContact CG1-CG2 4.01Å; Q460-V462 PolarHBondContact O-N 3.48Å; V462-G464 PolarHBondContact O-N 2.87Å | ||
| 463 | I | 96.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 93.9 | 177.7 | -59.7 | 169.7 | 0 | 0 | 0 | 108.5 | I437 M438 V439 A440 C547 V548 V579 I583 I609 Y610 L613 | I437-I463 HydrophobicContact CG2-CD1 3.84Å; M438-I463 PolarHBondContact O-N 3.24Å; V439-I463 HydrophobicContact CG2-CB 4.3Å; V439-I463 HydrophobicContact CG2-CD1 4.32Å; A440-I463 PolarHBondContact N-O 2.82Å; I463-C547 HydrophobicContact CG2-CB 4.16Å; I463-V548 HydrophobicContact CG2-CG1 3.68Å; I463-V579 HydrophobicContact CG2-CG1 4.4Å; I463-I583 HydrophobicContact CD1-CD1 3.99Å; I463-I609 HydrophobicContact CD1-CG2 3.93Å; I463-Y610 HydrophobicContact CG1-CD2 4.11Å; I463-L613 HydrophobicContact CD1-CD1 4.07Å; I463-L613 HydrophobicContact CG2-CD1 3.71Å |
| 464 | G | 95.9 | Very high | 89 | Confident | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 128.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | A440 G456 V462 C547 V548 | A440-G464 WeakPolarHBondContact O-CA 3.37Å; G456-G464 WeakPolarHBondContact O-CA 3.28Å; G456-G464 PolarHBondContact O-N 3.28Å; V462-G464 PolarHBondContact O-N 2.87Å; G464-C547 PolarHBondContact O-N 2.71Å; G464-V548 PolarHBondContact O-N 2.81Å |
| 465 | V | 97.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.2 | -176.9 | -165.1 | 0 | 0 | 0 | 0 | 113.3 | V439 A440 G442 V548 A550 A576 V579 | V439-V465 HydrophobicContact CG1-CG2 3.55Å; A440-V465 PolarHBondContact O-N 2.79Å; G442-V465 PolarHBondContact N-O 3.4Å; V465-V548 CarbonylContact C-O 3.5Å; V465-V548 VanDerWaalsContact CA-O 3.28Å; V465-V548 WeakPolarHBondContact CA-O 3.44Å; V465-V548 HydrophobicContact CG1-CG1 4.35Å; V465-V548 HydrophobicContact CG2-CG1 3.97Å; V465-A550 HydrophobicContact CG1-CB 4.11Å; V465-A576 HydrophobicContact CG2-CB 4.45Å; V465-V579 HydrophobicContact CG1-CG2 3.73Å; V465-V579 HydrophobicContact CG2-CB 4.11Å; V465-V579 HydrophobicContact CG2-CG1 4.33Å; V465-V579 HydrophobicContact CG2-CG2 3.99Å |
| 466 | A | 95.9 | Very high | 86.9 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 142.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | I546 V548 A549 A550 | A466-I546 HydrophobicContact CB-CD1 4.11Å; A466-I546 HydrophobicContact CB-CG1 4.33Å; A466-I546 HydrophobicContact CB-CG2 3.59Å; A466-V548 PolarHBondContact N-O 3.12Å; A466-A549 HydrophobicContact CB-CB 4.34Å; A466-A549 WeakPolarHBondContact O-CA 3.32Å; A466-A550 PolarHBondContact O-N 2.9Å |
| 467 | P | 94.8 | Very high | 86 | Confident | 4 Ų | 4 | 19.5 Ų | 19.5 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 123.9 | 178 | 34 | -30.1 | 0 | 0 | 0 | 112.3 | Y531 W533 S575 | P467-Y531 HydrophobicContact CB-CD2 3.83Å; P467-Y531 HydrophobicContact CB-CE2 4.28Å; P467-Y531 HydrophobicContact CG-CD2 4.4Å; P467-W533 HydrophobicContact CB-CH2 4.04Å; P467-W533 HydrophobicContact CB-CZ3 4.07Å; P467-W533 HydrophobicContact CG-CH2 4.12Å; P467-W533 HydrophobicContact CG-CZ3 3.66Å; P467-S575 WeakPolarHBondContact CA-OG 3.38Å |
| 468 | L | 92.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 144.4 | 169.9 | -60.2 | -179.3 | 0 | 0 | 0 | 111.4 | F470 T529 A530 Y531 A549 A550 P551 G552 F620 L623 | L468-F470 HydrophobicContact CB-CD2 4.45Å; L468-F470 HydrophobicContact CB-CE2 3.77Å; L468-F470 HydrophobicContact CB-CZ 4.4Å; L468-F470 HydrophobicContact CD1-CZ 4.39Å; L468-T529 CarbonylContact C-O 3.51Å; L468-T529 WeakPolarHBondContact CA-O 3.11Å; L468-A530 HydrophobicContact CD2-CB 3.71Å; L468-Y531 VanDerWaalsContact C-CE2 3.41Å; L468-Y531 WeakPolarHBondContact O-CE2 3.29Å; L468-A549 HydrophobicContact CD1-CB 3.64Å; L468-A549 HydrophobicContact CG-CB 3.9Å; L468-A550 PolarHBondContact N-O 3.29Å; L468-P551 CarbonylContact O-C 3.59Å; L468-P551 VanDerWaalsContact O-CA 3.28Å; L468-P551 WeakPolarHBondContact O-CA 3.28Å; L468-G552 PolarHBondContact O-N 3.5Å; L468-F620 HydrophobicContact CD1-CD2 4.2Å; L468-F620 HydrophobicContact CD1-CE2 3.89Å; L468-L623 HydrophobicContact CD2-CD1 3.79Å |
| 469 | V | 88.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 140.3 | 166.5 | 64.8 | 0 | 0 | 0 | 0 | 109.5 | M473 M474 Y478 P528 T529 Y531 W1071 | V469-M473 HydrophobicContact CG2-CB 3.89Å; V469-M473 HydrophobicContact CG2-CE 4.36Å; V469-M474 HydrophobicContact CG1-CE 3.58Å; V469-M474 HydrophobicContact CG2-CE 4.33Å; V469-M474 HydrophobicContact CG2-CG 3.79Å; V469-Y478 HydrophobicContact CG2-CE2 4.02Å; V469-P528 CarbonylContact O-C 3.55Å; V469-P528 VanDerWaalsContact O-CA 3.26Å; V469-P528 WeakPolarHBondContact O-CA 3.43Å; V469-T529 WeakPolarHBondContact CG1-O 3.44Å; V469-T529 WeakPolarHBondContact CG1-OG1 3.27Å; V469-T529 PolarHBondContact N-O 3.2Å; V469-T529 PolarHBondContact O-N 2.96Å; V469-Y531 HydrophobicContact CB-CD1 4.47Å; V469-Y531 HydrophobicContact CB-CD2 4.17Å; V469-Y531 HydrophobicContact CB-CE1 4.04Å; V469-Y531 HydrophobicContact CB-CE2 3.69Å; V469-Y531 HydrophobicContact CG2-CE1 4.4Å; V469-W1071 HydrophobicContact CG1-CB 4Å; V469-W1071 HydrophobicContact CG1-CG 4.44Å |
| 470 | F | 87.5 | Confident | 81.3 | Confident | 13 Ų | 13 | 30.2 Ų | 30.2 | 6% | 0.057 | 15% | 0.15 | C | C | . | . | trans | -111.9 | 157.1 | 179.3 | -70.9 | -103.1 | 0 | 0 | 0 | 110.5 | Q13 L468 D472 M473 M474 P528 P551 F620 L632 | Q13-F470 HydrophobicContact CB-CD1 4.35Å; Q13-F470 HydrophobicContact CB-CE1 4.07Å; Q13-F470 HydrophobicContact CB-CE2 4.41Å; Q13-F470 HydrophobicContact CB-CZ 4.11Å; Q13-F470 HydrophobicContact CG-CB 4.4Å; Q13-F470 HydrophobicContact CG-CD1 3.56Å; Q13-F470 HydrophobicContact CG-CD2 4.15Å; Q13-F470 HydrophobicContact CG-CE1 3.79Å; Q13-F470 HydrophobicContact CG-CE2 4.36Å; Q13-F470 HydrophobicContact CG-CG 3.78Å; Q13-F470 HydrophobicContact CG-CZ 4.19Å; L468-F470 HydrophobicContact CB-CD2 4.45Å; L468-F470 HydrophobicContact CB-CE2 3.77Å; L468-F470 HydrophobicContact CB-CZ 4.4Å; L468-F470 HydrophobicContact CD1-CZ 4.39Å; F470-D472 VanDerWaalsContact C-N 3.28Å; F470-D472 PolarHBondContact O-N 2.92Å; F470-M473 HydrophobicContact CB-CG 4.28Å; F470-M473 HydrophobicContact CB-SD 3.92Å; F470-M473 HydrophobicContact CD2-SD 3.78Å; F470-M473 HydrophobicContact CG-SD 4.32Å; F470-M473 PolarHBondContact N-SD 2.99Å; F470-M473 WeakPolarHBondContact O-CA 2.95Å; F470-M473 VanDerWaalsContact O-CB 3.31Å; F470-M473 WeakPolarHBondContact O-CB 3.4Å; F470-M473 PolarHBondContact O-N 3.01Å; F470-M474 PolarHBondContact O-N 2.65Å; F470-P528 HydrophobicContact CD1-CB 3.86Å; F470-P528 HydrophobicContact CD1-CG 3.6Å; F470-P528 HydrophobicContact CE1-CB 3.81Å; F470-P528 HydrophobicContact CE1-CG 3.66Å; F470-P528 HydrophobicContact CG-CB 4.35Å; F470-P528 HydrophobicContact CG-CG 4.45Å; F470-P528 HydrophobicContact CZ-CB 4.26Å; F470-P551 HydrophobicContact CD2-CB 4.39Å; F470-P551 HydrophobicContact CD2-CG 4.07Å; F470-P551 HydrophobicContact CE2-CB 4.33Å; F470-P551 HydrophobicContact CE2-CG 3.73Å; F470-F620 HydrophobicContact CE1-CZ 4.19Å; F470-F620 HydrophobicContact CZ-CZ 4.5Å; F470-L632 HydrophobicContact CE1-CD2 3.93Å; F470-L632 HydrophobicContact CZ-CD1 3.9Å; F470-L632 HydrophobicContact CZ-CD2 3.64Å; F470-L632 HydrophobicContact CZ-CG 4.41Å | ||
| 471 | P | 81.1 | Confident | 78.9 | Confident | 33 Ų | 33 | 32.9 Ų | 32.9 | 21% | 0.214 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -52 | -41.9 | -179.6 | -29.9 | 37.3 | 0 | 0 | 0 | 114.1 | M473 M474 H475 A526 | P471-M473 VanDerWaalsContact C-N 3.28Å; P471-M473 PolarHBondContact O-N 2.86Å; P471-M474 WeakPolarHBondContact O-CB 3.42Å; P471-M474 PolarHBondContact O-N 3.19Å; P471-H475 PolarHBondContact O-N 2.53Å; P471-A526 HydrophobicContact CB-CB 3.94Å; P471-A526 HydrophobicContact CG-CB 3.85Å; P471-A526 VanDerWaalsContact CG-O 3.23Å; P471-A526 WeakPolarHBondContact CG-O 3.45Å |
| 472 | D | 78.2 | Confident | 76.2 | Confident | 80 Ų | 80 | 35.2 Ų | 35.2 | 43% | 0.428 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59 | -41 | 176.1 | -43 | -54.8 | 0 | 0 | 0 | 111.6 | Q13 F470 H475 Y476 | Q13-D472 PolarHBondContact NE2-OD2 3.45Å; F470-D472 VanDerWaalsContact C-N 3.28Å; F470-D472 PolarHBondContact O-N 2.92Å; D472-H475 PolarHBondContact O-N 2.82Å; D472-Y476 HydrophobicContact CB-CD2 4.27Å; D472-Y476 HydrophobicContact CB-CE2 4.41Å; D472-Y476 WeakPolarHBondContact O-CB 3.48Å; D472-Y476 WeakPolarHBondContact O-CD2 3.21Å; D472-Y476 PolarHBondContact O-N 3.44Å |
| 473 | M | 81 | Confident | 73.4 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.7 | -41.9 | 177.9 | -59.7 | 165.7 | 63.6 | 0 | 0 | 110.8 | P10 V469 F470 P471 H475 L477 Y478 Y531 P551 G553 | P10-M473 HydrophobicContact CB-SD 4.5Å; V469-M473 HydrophobicContact CG2-CB 3.89Å; V469-M473 HydrophobicContact CG2-CE 4.36Å; F470-M473 HydrophobicContact CB-CG 4.28Å; F470-M473 HydrophobicContact CB-SD 3.92Å; F470-M473 HydrophobicContact CD2-SD 3.78Å; F470-M473 HydrophobicContact CG-SD 4.32Å; F470-M473 PolarHBondContact N-SD 2.99Å; F470-M473 WeakPolarHBondContact O-CA 2.95Å; F470-M473 VanDerWaalsContact O-CB 3.31Å; F470-M473 WeakPolarHBondContact O-CB 3.4Å; F470-M473 PolarHBondContact O-N 3.01Å; P471-M473 VanDerWaalsContact C-N 3.28Å; P471-M473 PolarHBondContact O-N 2.86Å; M473-H475 VanDerWaalsContact C-N 3.27Å; M473-H475 PolarHBondContact O-N 3.33Å; M473-L477 HydrophobicContact CB-CD1 4.1Å; M473-L477 HydrophobicContact CE-CD1 4.46Å; M473-L477 HydrophobicContact CG-CD1 4.23Å; M473-L477 WeakPolarHBondContact O-CA 3.46Å; M473-L477 VanDerWaalsContact O-CB 3.29Å; M473-L477 WeakPolarHBondContact O-CB 3.35Å; M473-L477 PolarHBondContact O-N 2.77Å; M473-Y478 HydrophobicContact CB-CE2 4.47Å; M473-Y478 VanDerWaalsContact O-CD2 3.25Å; M473-Y478 WeakPolarHBondContact O-CD2 3.49Å; M473-Y531 WeakPolarHBondContact CE-OH 3.45Å; M473-P551 HydrophobicContact CE-CB 4.28Å; M473-P551 HydrophobicContact SD-CB 3.96Å; M473-G553 VanDerWaalsContact CE-N 3.34Å |
| 474 | M | 77.6 | Confident | 70.2 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -54.9 | -47.1 | 172.7 | -60.1 | 178.8 | -170.4 | 0 | 0 | 110.4 | V469 F470 P471 C479 L522 T529 | V469-M474 HydrophobicContact CG1-CE 3.58Å; V469-M474 HydrophobicContact CG2-CE 4.33Å; V469-M474 HydrophobicContact CG2-CG 3.79Å; F470-M474 PolarHBondContact O-N 2.65Å; P471-M474 WeakPolarHBondContact O-CB 3.42Å; P471-M474 PolarHBondContact O-N 3.19Å; M474-C479 PolarHBondContact O-N 3.12Å; M474-C479 PolarHBondContact O-SG 3.39Å; M474-L522 HydrophobicContact CB-CD1 3.9Å; M474-L522 HydrophobicContact CB-CD2 3.65Å; M474-L522 HydrophobicContact CB-CG 4.41Å; M474-L522 HydrophobicContact CG-CD2 4.31Å; M474-L522 HydrophobicContact SD-CD2 3.7Å; M474-T529 WeakPolarHBondContact CE-OG1 3.41Å |
| 475 | H | 69.8 | Low | 67 | Low | 93 Ų | 93 | 50.3 Ų | 50.3 | 43% | 0.431 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -70.4 | -44.7 | -176.3 | -161 | 41 | 0 | 0 | 0 | 113.9 | P471 D472 M473 C479 L522 | P471-H475 PolarHBondContact O-N 2.53Å; D472-H475 PolarHBondContact O-N 2.82Å; M473-H475 VanDerWaalsContact C-N 3.27Å; M473-H475 PolarHBondContact O-N 3.33Å; H475-C479 WeakPolarHBondContact O-CB 3.44Å; H475-L522 HydrophobicContact CB-CD1 3.82Å |
| 476 | Y | 67.4 | Low | 63.8 | Low | 102 Ų | 102 | 58.1 Ų | 58.1 | 40% | 0.4 | 31% | 0.314 | S | S | . | . | I | π-helix | trans | -103.2 | -19.1 | -168.9 | -58.3 | -60.4 | 0 | 0 | 0 | 115.4 | A4 L8 D472 | A4-Y476 HydrophobicContact CB-CD1 4.48Å; L8-Y476 HydrophobicContact CD2-CD2 4.04Å; L8-Y476 HydrophobicContact CD2-CG 4.11Å; D472-Y476 HydrophobicContact CB-CD2 4.27Å; D472-Y476 HydrophobicContact CB-CE2 4.41Å; D472-Y476 WeakPolarHBondContact O-CB 3.48Å; D472-Y476 WeakPolarHBondContact O-CD2 3.21Å; D472-Y476 PolarHBondContact O-N 3.44Å |
| 477 | L | 68.7 | Low | 60.5 | Low | 23 Ų | 23 | 65.7 Ų | 65.7 | 12% | 0.12 | 36% | 0.355 | C | S | . | . | I | π-helix | trans | -103.3 | -23.9 | 178.6 | -64.4 | 174.7 | 0 | 0 | 0 | 113.8 | L8 M473 N555 V568 | L8-L477 HydrophobicContact CB-CD2 3.82Å; L8-L477 HydrophobicContact CB-CG 4.45Å; L8-L477 HydrophobicContact CD1-CD2 3.59Å; L8-L477 HydrophobicContact CD1-CG 4.18Å; L8-L477 HydrophobicContact CG-CD2 4.27Å; M473-L477 HydrophobicContact CB-CD1 4.1Å; M473-L477 HydrophobicContact CE-CD1 4.46Å; M473-L477 HydrophobicContact CG-CD1 4.23Å; M473-L477 WeakPolarHBondContact O-CA 3.46Å; M473-L477 VanDerWaalsContact O-CB 3.29Å; M473-L477 WeakPolarHBondContact O-CB 3.35Å; M473-L477 PolarHBondContact O-N 2.77Å; L477-N555 HydrophobicContact CD2-CB 4.15Å; L477-V568 HydrophobicContact CB-CG1 4.25Å; L477-V568 HydrophobicContact CD2-CB 4.44Å; L477-V568 HydrophobicContact CD2-CG1 3.89Å; L477-V568 HydrophobicContact CD2-CG2 3.69Å; L477-V568 HydrophobicContact CG-CG1 4.48Å |
| 478 | Y | 65.9 | Low | 57.6 | Low | 61 Ų | 61 | 74.7 Ų | 74.7 | 24% | 0.239 | 39% | 0.389 | C | S | . | . | I | π-helix | trans | -120.6 | -14 | -172.5 | -55.6 | -73.1 | 0 | 0 | 0 | 115.1 | V469 M473 Y531 S570 W1071 | V469-Y478 HydrophobicContact CG2-CE2 4.02Å; M473-Y478 HydrophobicContact CB-CE2 4.47Å; M473-Y478 VanDerWaalsContact O-CD2 3.25Å; M473-Y478 WeakPolarHBondContact O-CD2 3.49Å; Y478-Y531 HydrophobicContact CE2-CE1 4.41Å; Y478-Y531 WeakPolarHBondContact OH-CE1 3.49Å; Y478-Y531 PolarHBondContact OH-OH 3.42Å; Y478-S570 PolarHBondContact OH-OG 3.45Å; Y478-W1071 AromaticContact CD1-NE1 3.85Å; Y478-W1071 AromaticContact CD2-NE1 4Å; Y478-W1071 HydrophobicContact CE1-CZ2 4.33Å; Y478-W1071 AromaticContact CE1-NE1 3.65Å; Y478-W1071 AromaticContact CE2-NE1 3.79Å; Y478-W1071 AromaticContact CZ-NE1 3.62Å |
| 479 | C | 56.7 | Low | 54.4 | Low | 35 Ų | 35 | 82.3 Ų | 82.3 | 24% | 0.236 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -96.4 | 129.2 | 169.6 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | M474 H475 | M474-C479 PolarHBondContact O-N 3.12Å; M474-C479 PolarHBondContact O-SG 3.39Å; H475-C479 WeakPolarHBondContact O-CB 3.44Å |
| 480 | Q | 40.3 | Very low | 51.5 | Low | 140 Ų | 140 | 87.5 Ų | 87.5 | 65% | 0.654 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -85 | 137.1 | 161.1 | -71.1 | -169.7 | -63.2 | 0 | 0 | 109.9 | S482 | Q480-S482 PolarHBondContact O-N 2.85Š|
| 481 | P | 37.9 | Very low | 48.6 | Very low | 75 Ų | 75 | 94.7 Ų | 94.7 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 121.9 | 172.2 | 28.9 | -32.7 | 0 | 0 | 0 | 110.6 | M1 D483 | M1-P481 HydrophobicContact CE-CB 4.28Å; M1-P481 HydrophobicContact CE-CG 4.3Å; P481-D483 PolarHBondContact O-N 2.58Å |
| 482 | S | 32.8 | Very low | 46 | Very low | 67 Ų | 67 | 103.2 Ų | 103.2 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | trans | -95.9 | 56.3 | -178.5 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | Q480 S484 S516 | Q480-S482 PolarHBondContact O-N 2.85Å; S482-S484 PolarHBondContact O-N 2.97Å; S482-S484 VanDerWaalsContact O-N 3.09Å; S482-S516 WeakPolarHBondContact CB-O 3.26Å | ||
| 483 | D | 35 | Very low | 43.5 | Very low | 111 Ų | 111 | 107.3 Ų | 107.3 | 59% | 0.594 | 55% | 0.554 | S | S | * | * | trans | -80.9 | 84.6 | -177.4 | -76.2 | -31.1 | 0 | 0 | 0 | 112.4 | M1 P481 S485 | M1-D483 WeakPolarHBondContact CE-OD2 3.5Å; P481-D483 PolarHBondContact O-N 2.58Å; D483-S485 PolarHBondContact O-N 3.09Å | ||
| 484 | S | 29 | Very low | 40.8 | Very low | 123 Ų | 123 | 116.6 Ų | 116.6 | 86% | 0.86 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 48.7 | 178.8 | 50.2 | 0 | 0 | 0 | 0 | 114.1 | S482 | S482-S484 PolarHBondContact O-N 2.97Å; S482-S484 VanDerWaalsContact O-N 3.09Å |
| 485 | S | 28.7 | Very low | 38.3 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 62% | 0.622 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155 | 22.8 | -176.1 | 56.3 | 0 | 0 | 0 | 0 | 118.9 | D483 | D483-S485 PolarHBondContact O-N 3.09Š|
| 486 | F | 30 | Very low | 36.3 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 72% | 0.715 | 66% | 0.656 | S | S | * | * | trans | -136.5 | 110.7 | 171.8 | -82.1 | -76.6 | 0 | 0 | 0 | 115 | Y488 | F486-Y488 HydrophobicContact CB-CD2 4.07Å; F486-Y488 HydrophobicContact CB-CE2 4.19Å; F486-Y488 HydrophobicContact CD1-CE2 4.05Å; F486-Y488 HydrophobicContact CG-CE2 4.37Å; F486-Y488 PolarHBondContact O-N 3.09Å | ||
| 487 | D | 27.5 | Very low | 34.2 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 86% | 0.861 | 68% | 0.678 | S | S | * | * | trans | -69.4 | 102.3 | 165.1 | -86.5 | -46 | 0 | 0 | 0 | 110.9 | ||||
| 488 | Y | 32.7 | Very low | 32.3 | Very low | 193 Ų | 193 | 136.1 Ų | 136.1 | 76% | 0.757 | 71% | 0.709 | S | S | * | * | trans | -116 | 100 | 163.4 | -84.2 | -77 | 0 | 0 | 0 | 110.8 | F486 C490 | F486-Y488 HydrophobicContact CB-CD2 4.07Å; F486-Y488 HydrophobicContact CB-CE2 4.19Å; F486-Y488 HydrophobicContact CD1-CE2 4.05Å; F486-Y488 HydrophobicContact CG-CE2 4.37Å; F486-Y488 PolarHBondContact O-N 3.09Å; Y488-C490 VanDerWaalsContact C-N 3.31Å; Y488-C490 PolarHBondContact O-N 3.36Å | ||
| 489 | N | 25.9 | Very low | 30.5 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | -63.7 | 87.4 | 168.7 | -83.7 | -69.6 | 0 | 0 | 0 | 110.5 | ||||
| 490 | C | 29.1 | Very low | 28.9 | Very low | 110 Ų | 110 | 144 Ų | 144 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -104.2 | 110.7 | 172.5 | -165 | 0 | 0 | 0 | 0 | 109.7 | Y488 Y492 | Y488-C490 VanDerWaalsContact C-N 3.31Å; Y488-C490 PolarHBondContact O-N 3.36Å; C490-Y492 PolarHBondContact O-N 3.31Å | ||
| 491 | L | 25.3 | Very low | 28.5 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -72.8 | 85.9 | -177.3 | -71 | 99.4 | 0 | 0 | 0 | 111.8 | ||||
| 492 | Y | 27.6 | Very low | 27.8 | Very low | 213 Ų | 213 | 144 Ų | 144 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -145.6 | 42.8 | 166.7 | -113.5 | -74.3 | 0 | 0 | 0 | 113.8 | C490 | C490-Y492 PolarHBondContact O-N 3.31Š| ||
| 493 | N | 25.7 | Very low | 27.3 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -154.3 | 93.2 | 161.5 | -101.2 | -19 | 0 | 0 | 0 | 109.5 | ||||
| 494 | K | 24.5 | Very low | 27 | Very low | 201 Ų | 201 | 151.1 Ų | 151.1 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -155.6 | 48 | 168.9 | -151.2 | 175.6 | -176.7 | 175.8 | 0 | 114.2 | ||||
| 495 | F | 24.9 | Very low | 26.6 | Very low | 201 Ų | 201 | 155.1 Ų | 155.1 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -138.2 | 134.3 | 157.3 | -91.8 | -77.9 | 0 | 0 | 0 | 109.2 | ||
| 496 | C | 27.1 | Very low | 26.5 | Very low | 126 Ų | 126 | 154.8 Ų | 154.8 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | 65.2 | 64.7 | 169.4 | -54.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 497 | D | 23.7 | Very low | 26.3 | Very low | 159 Ų | 159 | 154.7 Ų | 154.7 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -89.6 | 127 | 138.8 | -92.4 | -47.2 | 0 | 0 | 0 | 108.6 | ||||
| 498 | N | 28.2 | Very low | 26.2 | Very low | 143 Ų | 143 | 153.3 Ų | 153.3 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | 178.1 | 146.7 | 131.4 | -94.4 | 2.7 | 0 | 0 | 0 | 112 | ||||
| 499 | D | 27.6 | Very low | 26 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 66.4 | 79.8 | 157.7 | -52 | -26.4 | 0 | 0 | 0 | 119.7 | ||||
| 500 | S | 24.6 | Very low | 26 | Very low | 110 Ų | 110 | 152.1 Ų | 152.1 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -69.7 | 175 | 151.7 | 77 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 501 | P | 30.9 | Very low | 26 | Very low | 111 Ų | 111 | 151 Ų | 151 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | cis | -144.3 | -176.6 | 13.2 | 42.4 | -22.5 | 0 | 0 | 0 | 118.3 | ||||
| 502 | S | 22.6 | Very low | 26.4 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 103.1 | 142.7 | 148.3 | 82.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 503 | N | 23.2 | Very low | 26.8 | Very low | 150 Ų | 150 | 139 Ų | 139 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | 61 | 53.8 | 163 | -66 | -13.6 | 0 | 0 | 0 | 120.1 | ||||
| 504 | Y | 27.5 | Very low | 27.3 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 70% | 0.698 | 74% | 0.742 | S | S | * | * | trans | -123.3 | 108.6 | 138.7 | -87.6 | -86.6 | 0 | 0 | 0 | 110.3 | R129 S506 | R129-Y504 PolarHBondContact NH1-OH 2.72Å; Y504-S506 VanDerWaalsContact C-N 3.27Å; Y504-S506 PolarHBondContact O-N 3.11Å; Y504-S506 VanDerWaalsContact O-N 3.12Å | ||
| 505 | Q | 21.8 | Very low | 27.8 | Very low | 207 Ų | 207 | 137.2 Ų | 137.2 | 97% | 0.967 | 72% | 0.723 | S | S | * | * | trans | -80.6 | 79.1 | 164.3 | -77.9 | -172.1 | -25.7 | 0 | 0 | 108.7 | ||||
| 506 | S | 25.7 | Very low | 28.3 | Very low | 83 Ų | 83 | 132.2 Ų | 132.2 | 58% | 0.58 | 71% | 0.713 | S | S | * | * | trans | -84.5 | 157.3 | 173.6 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | Y504 N508 | Y504-S506 VanDerWaalsContact C-N 3.27Å; Y504-S506 PolarHBondContact O-N 3.11Å; Y504-S506 VanDerWaalsContact O-N 3.12Å; S506-N508 PolarHBondContact O-N 3.08Å | ||
| 507 | E | 26 | Very low | 28.8 | Very low | 160 Ų | 160 | 131 Ų | 131 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | trans | -59.7 | 112.6 | -178 | -59.1 | 174.1 | 144.2 | 0 | 0 | 111.6 | ||||
| 508 | N | 25.1 | Very low | 29.4 | Very low | 133 Ų | 133 | 128 Ų | 128 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | -139 | 79.2 | 174.3 | -94.6 | -56.8 | 0 | 0 | 0 | 110.5 | S506 | S506-N508 PolarHBondContact O-N 3.08Š| ||
| 509 | V | 28.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 70% | 0.697 | 67% | 0.67 | S | S | * | * | trans | -116.4 | 35.6 | 175.9 | -159.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 510 | Y | 27.1 | Very low | 30.8 | Very low | 212 Ų | 212 | 122.3 Ų | 122.3 | 83% | 0.831 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -126.3 | 39.9 | 176 | -78.3 | -70.6 | 0 | 0 | 0 | 112.7 | ||
| 511 | S | 28.1 | Very low | 31.9 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 60% | 0.601 | 67% | 0.665 | S | S | * | * | trans | -168.2 | 83.5 | 157.7 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | S513 | S511-S513 PolarHBondContact O-N 3.33Å; S511-S513 VanDerWaalsContact O-N 3.07Å | ||
| 512 | T | 34.6 | Very low | 32.9 | Very low | 86 Ų | 86 | 125.1 Ų | 125.1 | 53% | 0.528 | 64% | 0.64 | S | S | . | * | trans | -79.1 | 45.7 | 155.6 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | E995 F1018 | T512-E995 VanDerWaalsContact CB-OE1 3.26Å; T512-E995 WeakPolarHBondContact CB-OE1 3.27Å; T512-E995 WeakPolarHBondContact CG2-OE1 3.47Å; T512-F1018 HydrophobicContact CG2-CD1 4.45Å | ||
| 513 | S | 35.7 | Very low | 34.6 | Very low | 39 Ų | 39 | 123.2 Ų | 123.2 | 27% | 0.273 | 63% | 0.627 | S | S | . | * | trans | -111.9 | 57.4 | 167.2 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | S511 N515 | S511-S513 PolarHBondContact O-N 3.33Å; S511-S513 VanDerWaalsContact O-N 3.07Å; S513-N515 PolarHBondContact O-N 3.42Å | ||
| 514 | R | 35.5 | Very low | 36.3 | Very low | 237 Ų | 237 | 125.6 Ų | 125.6 | 89% | 0.894 | 63% | 0.633 | S | S | * | * | trans | -78.8 | -2.5 | 177.3 | -97.4 | -176 | 172.5 | 167.7 | -0.3 | 114.1 | ||||
| 515 | N | 35 | Very low | 38 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 48% | 0.481 | 64% | 0.635 | S | S | . | * | trans | -123.8 | 86.9 | 175.4 | -77.7 | -43.7 | 0 | 0 | 0 | 110.3 | S513 V517 | S513-N515 PolarHBondContact O-N 3.42Å; N515-V517 PolarHBondContact O-N 3.2Å | ||
| 516 | S | 36.9 | Very low | 40.2 | Very low | 97 Ų | 97 | 114.7 Ų | 114.7 | 68% | 0.678 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 21.5 | -179.7 | 52.3 | 0 | 0 | 0 | 0 | 115.5 | S482 | S482-S516 WeakPolarHBondContact CB-O 3.26Š|
| 517 | V | 36.3 | Very low | 42.9 | Very low | 101 Ų | 101 | 114.9 Ų | 114.9 | 61% | 0.612 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | -23.1 | -162.5 | -174.7 | 0 | 0 | 0 | 0 | 113.3 | N515 | N515-V517 PolarHBondContact O-N 3.2Š|
| 518 | N | 36.3 | Very low | 45.8 | Very low | 94 Ų | 94 | 108.2 Ų | 108.2 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | trans | -133 | 44.5 | -157.1 | -79.7 | -53.9 | 0 | 0 | 0 | 116.4 | ||||
| 519 | H | 44.2 | Very low | 48.8 | Very low | 97 Ų | 97 | 102.2 Ų | 102.2 | 45% | 0.449 | 53% | 0.525 | S | S | . | . | trans | -102.5 | 79.4 | 164.9 | -73 | -56.2 | 0 | 0 | 0 | 111.6 | ||||
| 520 | S | 41.9 | Very low | 51.7 | Low | 80 Ų | 80 | 97.1 Ų | 97.1 | 56% | 0.559 | 50% | 0.495 | S | S | * | . | trans | -64.1 | 145.3 | 172.7 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 521 | R | 46.5 | Very low | 54.6 | Low | 242 Ų | 242 | 87 Ų | 87 | 91% | 0.913 | 46% | 0.455 | S | S | * | . | trans | -28.3 | 128.3 | -179.1 | -67.9 | 178.2 | 176.2 | 169.4 | -2.5 | 114.7 | ||||
| 522 | L | 53.8 | Low | 57.4 | Low | 38 Ų | 38 | 83.1 Ų | 83.1 | 20% | 0.199 | 43% | 0.428 | C | S | . | . | trans | -55.1 | 145.7 | 158.7 | -93.6 | 125 | 0 | 0 | 0 | 110.2 | M474 H475 A526 E1074 | M474-L522 HydrophobicContact CB-CD1 3.9Å; M474-L522 HydrophobicContact CB-CD2 3.65Å; M474-L522 HydrophobicContact CB-CG 4.41Å; M474-L522 HydrophobicContact CG-CD2 4.31Å; M474-L522 HydrophobicContact SD-CD2 3.7Å; H475-L522 HydrophobicContact CB-CD1 3.82Å; L522-A526 HydrophobicContact CD2-CB 4.04Å; L522-E1074 HydrophobicContact CD2-CG 3.73Å; L522-E1074 HydrophobicContact CG-CG 4.24Å | ||
| 523 | S | 56.9 | Low | 59.9 | Low | 62 Ų | 62 | 80.9 Ų | 80.9 | 43% | 0.434 | 41% | 0.41 | S | S | . | . | trans | -65.4 | 137.4 | 176 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | N525 A526 | S523-N525 PolarHBondContact O-N 2.8Å; S523-N525 VanDerWaalsContact O-N 3.1Å; S523-N525 PolarHBondContact OG-N 3.14Å; S523-N525 VanDerWaalsContact OG-N 3.15Å; S523-A526 VanDerWaalsContact O-CB 3.23Å; S523-A526 WeakPolarHBondContact O-CB 2.95Å; S523-A526 PolarHBondContact O-N 3.03Å | ||
| 524 | E | 58.3 | Low | 62.5 | Low | 201 Ų | 201 | 79 Ų | 79 | 94% | 0.939 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.6 | 168.8 | -64.3 | 179.9 | 161.7 | 0 | 0 | 111.9 | ||
| 525 | N | 63.3 | Low | 65.2 | Low | 139 Ų | 139 | 67.9 Ų | 67.9 | 74% | 0.743 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 15.7 | 175.8 | -70.9 | -64.2 | 0 | 0 | 0 | 114 | S523 | S523-N525 PolarHBondContact O-N 2.8Å; S523-N525 VanDerWaalsContact O-N 3.1Å; S523-N525 PolarHBondContact OG-N 3.14Å; S523-N525 VanDerWaalsContact OG-N 3.15Å |
| 526 | A | 69.5 | Low | 67.8 | Low | 16 Ų | 16 | 63.8 Ų | 63.8 | 13% | 0.132 | 33% | 0.332 | C | S | . | . | trans | -57.1 | 139.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P471 L522 S523 E1074 | P471-A526 HydrophobicContact CB-CB 3.94Å; P471-A526 HydrophobicContact CG-CB 3.85Å; P471-A526 VanDerWaalsContact CG-O 3.23Å; P471-A526 WeakPolarHBondContact CG-O 3.45Å; L522-A526 HydrophobicContact CD2-CB 4.04Å; S523-A526 VanDerWaalsContact O-CB 3.23Å; S523-A526 WeakPolarHBondContact O-CB 2.95Å; S523-A526 PolarHBondContact O-N 3.03Å; A526-E1074 WeakPolarHBondContact CA-OE2 3.36Å; A526-E1074 VanDerWaalsContact CB-OE2 3.27Å; A526-E1074 WeakPolarHBondContact CB-OE2 3.06Å | ||
| 527 | K | 82 | Confident | 70.2 | Confident | 88 Ų | 88 | 59.1 Ų | 59.1 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | trans | -114.5 | 155 | -176.8 | -70.5 | -158.4 | 174.3 | -161.5 | 0 | 112.6 | T529 | K527-T529 PolarHBondContact O-N 3.19Š| ||
| 528 | P | 87.5 | Confident | 72.8 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 13% | 0.13 | 27% | 0.271 | C | S | . | . | trans | -59 | 135.4 | 169 | -21.8 | 34 | 0 | 0 | 0 | 110.9 | V469 F470 F620 H622 | V469-P528 CarbonylContact O-C 3.55Å; V469-P528 VanDerWaalsContact O-CA 3.26Å; V469-P528 WeakPolarHBondContact O-CA 3.43Å; F470-P528 HydrophobicContact CD1-CB 3.86Å; F470-P528 HydrophobicContact CD1-CG 3.6Å; F470-P528 HydrophobicContact CE1-CB 3.81Å; F470-P528 HydrophobicContact CE1-CG 3.66Å; F470-P528 HydrophobicContact CG-CB 4.35Å; F470-P528 HydrophobicContact CG-CG 4.45Å; F470-P528 HydrophobicContact CZ-CB 4.26Å; P528-F620 HydrophobicContact CB-CE1 4.46Å; P528-F620 HydrophobicContact CB-CE2 4.25Å; P528-F620 HydrophobicContact CB-CZ 4.09Å; P528-F620 HydrophobicContact CG-CE1 3.96Å; P528-F620 HydrophobicContact CG-CZ 3.86Å; P528-H622 PolarHBondContact O-NE2 3.12Å | ||
| 529 | T | 88 | Confident | 75.2 | Confident | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 153.1 | 179.6 | 50.4 | 0 | 0 | 0 | 0 | 111 | L468 V469 M474 K527 A961 K964 | L468-T529 CarbonylContact C-O 3.51Å; L468-T529 WeakPolarHBondContact CA-O 3.11Å; V469-T529 WeakPolarHBondContact CG1-O 3.44Å; V469-T529 WeakPolarHBondContact CG1-OG1 3.27Å; V469-T529 PolarHBondContact N-O 3.2Å; V469-T529 PolarHBondContact O-N 2.96Å; M474-T529 WeakPolarHBondContact CE-OG1 3.41Å; K527-T529 PolarHBondContact O-N 3.19Å; T529-A961 WeakPolarHBondContact CG2-O 3.49Å; T529-K964 HydrophobicContact CG2-CD 4.34Å; T529-K964 HydrophobicContact CG2-CG 4.47Å |
| 530 | A | 88.3 | Confident | 77 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 7% | 0.066 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 123.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L468 N532 R536 D627 | L468-A530 HydrophobicContact CD2-CB 3.71Å; A530-N532 PolarHBondContact O-N 2.84Å; A530-R536 PolarHBondContact O-NH2 2.75Å; A530-D627 HydrophobicContact CB-CB 4.18Å |
| 531 | Y | 88.4 | Confident | 79 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -47.6 | 137.7 | 179.9 | -74.5 | -93.8 | 0 | 0 | 0 | 111.7 | P467 L468 V469 M473 Y478 W533 G534 R536 G552 G553 W1071 | P467-Y531 HydrophobicContact CB-CD2 3.83Å; P467-Y531 HydrophobicContact CB-CE2 4.28Å; P467-Y531 HydrophobicContact CG-CD2 4.4Å; L468-Y531 VanDerWaalsContact C-CE2 3.41Å; L468-Y531 WeakPolarHBondContact O-CE2 3.29Å; V469-Y531 HydrophobicContact CB-CD1 4.47Å; V469-Y531 HydrophobicContact CB-CD2 4.17Å; V469-Y531 HydrophobicContact CB-CE1 4.04Å; V469-Y531 HydrophobicContact CB-CE2 3.69Å; V469-Y531 HydrophobicContact CG2-CE1 4.4Å; M473-Y531 WeakPolarHBondContact CE-OH 3.45Å; Y478-Y531 HydrophobicContact CE2-CE1 4.41Å; Y478-Y531 WeakPolarHBondContact OH-CE1 3.49Å; Y478-Y531 PolarHBondContact OH-OH 3.42Å; Y531-W533 VanDerWaalsContact C-N 3.26Å; Y531-W533 AromaticContact CD1-CE2 3.58Å; Y531-W533 AromaticContact CD1-CH2 3.95Å; Y531-W533 HydrophobicContact CD1-CH2 3.95Å; Y531-W533 AromaticContact CD1-CZ2 3.15Å; Y531-W533 HydrophobicContact CD1-CZ2 3.15Å; Y531-W533 AromaticContact CD1-NE1 3.76Å; Y531-W533 AromaticContact CD2-CH2 3.91Å; Y531-W533 HydrophobicContact CD2-CH2 3.91Å; Y531-W533 AromaticContact CD2-CZ2 3.97Å; Y531-W533 HydrophobicContact CD2-CZ2 3.97Å; Y531-W533 HydrophobicContact CE1-CH2 4.35Å; Y531-W533 AromaticContact CE1-CZ2 3.6Å; Y531-W533 HydrophobicContact CE1-CZ2 3.6Å; Y531-W533 HydrophobicContact CE2-CH2 4.32Å; Y531-W533 HydrophobicContact CE2-CZ2 4.35Å; Y531-W533 AromaticContact CG-CE2 3.81Å; Y531-W533 AromaticContact CG-CH2 3.69Å; Y531-W533 HydrophobicContact CG-CH2 3.69Å; Y531-W533 AromaticContact CG-CZ2 3.34Å; Y531-W533 HydrophobicContact CG-CZ2 3.34Å; Y531-W533 HydrophobicContact CG-CZ3 4.48Å; Y531-W533 PolarHBondContact O-N 3.28Å; Y531-W533 VanDerWaalsContact O-N 3.17Å; Y531-G534 PolarHBondContact O-N 3.03Å; Y531-R536 PolarHBondContact O-NH1 3.02Å; Y531-G552 PolarHBondContact OH-O 3.38Å; Y531-G553 PolarHBondContact OH-N 2.66Å; Y531-W1071 HydrophobicContact CD1-CB 4.35Å; Y531-W1071 AromaticContact CD1-CD1 3.73Å; Y531-W1071 AromaticContact CD1-CD2 3.55Å; Y531-W1071 HydrophobicContact CD1-CD2 3.55Å; Y531-W1071 AromaticContact CD1-CE2 3.63Å; Y531-W1071 HydrophobicContact CD1-CE3 4.16Å; Y531-W1071 AromaticContact CD1-CG 3.62Å; Y531-W1071 HydrophobicContact CD1-CG 3.62Å; Y531-W1071 HydrophobicContact CD1-CZ2 4.27Å; Y531-W1071 AromaticContact CD1-NE1 3.74Å; Y531-W1071 AromaticContact CE1-CD1 3.64Å; Y531-W1071 HydrophobicContact CE1-CD2 4.1Å; Y531-W1071 AromaticContact CE1-CE2 3.75Å; Y531-W1071 HydrophobicContact CE1-CG 4.04Å; Y531-W1071 HydrophobicContact CE1-CZ2 4.37Å; Y531-W1071 AromaticContact CE1-NE1 3.46Å | ||
| 532 | N | 86.8 | Confident | 81 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.027 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -32.5 | -175.1 | 65.7 | 5 | 0 | 0 | 0 | 113.8 | G446 P447 A530 T997 A1068 W1071 | G446-N532 CarbonylContact C-O 3.5Å; G446-N532 VanDerWaalsContact C-O 3.28Å; P447-N532 VanDerWaalsContact CA-O 3.26Å; P447-N532 WeakPolarHBondContact CA-O 3.44Å; P447-N532 VanDerWaalsContact CB-O 3.25Å; P447-N532 WeakPolarHBondContact CB-O 3.36Å; P447-N532 VanDerWaalsContact CD-O 3.26Å; P447-N532 WeakPolarHBondContact CD-O 3.08Å; A530-N532 PolarHBondContact O-N 2.84Å; N532-T997 PolarHBondContact ND2-OG1 2.77Å; N532-T997 VanDerWaalsContact ND2-OG1 3.16Å; N532-A1068 HydrophobicContact CB-CB 3.61Å; N532-W1071 VanDerWaalsContact OD1-CE3 3.27Å; N532-W1071 VanDerWaalsContact OD1-CZ3 3.23Å; N532-W1071 WeakPolarHBondContact OD1-CZ3 3.29Å |
| 533 | W | 87 | Confident | 82.8 | Confident | 39 Ų | 39 | 32.5 Ų | 32.5 | 15% | 0.148 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -11.2 | 176.1 | 49.4 | -104.5 | 0 | 0 | 0 | 115.1 | N444 N445 G446 P467 Y531 S535 W1071 | N444-W533 CarbonylContact C-O 3.51Å; N444-W533 VanDerWaalsContact CA-O 3.26Å; N444-W533 WeakPolarHBondContact CA-O 3.23Å; N444-W533 HydrophobicContact CB-CE3 3.91Å; N444-W533 HydrophobicContact CB-CZ3 4.42Å; N444-W533 VanDerWaalsContact O-O 3.11Å; N444-W533 WeakPolarHBondContact OD1-CZ3 3.27Å; N445-W533 PolarHBondContact N-O 2.98Å; N445-W533 VanDerWaalsContact N-O 3.09Å; G446-W533 PolarHBondContact N-O 3.4Å; P467-W533 HydrophobicContact CB-CH2 4.04Å; P467-W533 HydrophobicContact CB-CZ3 4.07Å; P467-W533 HydrophobicContact CG-CH2 4.12Å; P467-W533 HydrophobicContact CG-CZ3 3.66Å; Y531-W533 VanDerWaalsContact C-N 3.26Å; Y531-W533 AromaticContact CD1-CE2 3.58Å; Y531-W533 AromaticContact CD1-CH2 3.95Å; Y531-W533 HydrophobicContact CD1-CH2 3.95Å; Y531-W533 AromaticContact CD1-CZ2 3.15Å; Y531-W533 HydrophobicContact CD1-CZ2 3.15Å; Y531-W533 AromaticContact CD1-NE1 3.76Å; Y531-W533 AromaticContact CD2-CH2 3.91Å; Y531-W533 HydrophobicContact CD2-CH2 3.91Å; Y531-W533 AromaticContact CD2-CZ2 3.97Å; Y531-W533 HydrophobicContact CD2-CZ2 3.97Å; Y531-W533 HydrophobicContact CE1-CH2 4.35Å; Y531-W533 AromaticContact CE1-CZ2 3.6Å; Y531-W533 HydrophobicContact CE1-CZ2 3.6Å; Y531-W533 HydrophobicContact CE2-CH2 4.32Å; Y531-W533 HydrophobicContact CE2-CZ2 4.35Å; Y531-W533 AromaticContact CG-CE2 3.81Å; Y531-W533 AromaticContact CG-CH2 3.69Å; Y531-W533 HydrophobicContact CG-CH2 3.69Å; Y531-W533 AromaticContact CG-CZ2 3.34Å; Y531-W533 HydrophobicContact CG-CZ2 3.34Å; Y531-W533 HydrophobicContact CG-CZ3 4.48Å; Y531-W533 PolarHBondContact O-N 3.28Å; Y531-W533 VanDerWaalsContact O-N 3.17Å; W533-S535 PolarHBondContact O-N 3.36Å; W533-W1071 AromaticContact CD1-CE3 3.98Å; W533-W1071 AromaticContact CD1-CH2 3.59Å; W533-W1071 AromaticContact CD1-CZ3 3.25Å; W533-W1071 AromaticContact NE1-CE3 3.76Å; W533-W1071 AromaticContact NE1-CH2 3.14Å; W533-W1071 AromaticContact NE1-CZ2 3.72Å; W533-W1071 AromaticContact NE1-CZ3 3.18Å |
| 534 | G | 90.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -60.7 | 133.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | G446 Y531 R536 | G446-G534 VanDerWaalsContact CA-O 3.28Å; G446-G534 WeakPolarHBondContact CA-O 3.38Å; G446-G534 PolarHBondContact N-O 3.44Å; Y531-G534 PolarHBondContact O-N 3.03Å; G534-R536 WeakPolarHBondContact O-CD 3.41Å; G534-R536 PolarHBondContact O-NH1 3.43Å |
| 535 | S | 91.7 | Very high | 85.9 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | trans | -61.8 | 147.5 | 178.5 | -70.7 | 0 | 0 | 0 | 0 | 112.1 | G442 G443 N444 N445 S451 W533 | G442-S535 WeakPolarHBondContact O-CB 3.31Å; G443-S535 VanDerWaalsContact CA-OG 3.29Å; G443-S535 WeakPolarHBondContact CA-OG 3.25Å; G443-S535 PolarHBondContact O-N 3.45Å; G443-S535 PolarHBondContact O-OG 2.68Å; N444-S535 PolarHBondContact N-OG 3.02Å; N445-S535 PolarHBondContact N-OG 2.78Å; S451-S535 WeakPolarHBondContact O-CB 3.36Å; S451-S535 PolarHBondContact O-OG 3.35Å; S451-S535 WeakPolarHBondContact OG-CA 3.32Å; W533-S535 PolarHBondContact O-N 3.36Å | ||
| 536 | R | 90.6 | Very high | 87.2 | Confident | 4 Ų | 4 | 14.4 Ų | 14.4 | 2% | 0.015 | 8% | 0.076 | C | C | . | . | B | Isolated β-bridge | trans | -119.4 | 144.2 | 179.5 | -91.1 | 65.5 | 170 | 172.5 | -2.2 | 111.8 | L449 G450 S451 A530 Y531 G534 L626 D627 | L449-R536 HydrophobicContact CD2-CB 3.96Å; L449-R536 HydrophobicContact CD2-CG 4.34Å; G450-R536 PolarHBondContact N-O 2.83Å; G450-R536 VanDerWaalsContact N-O 3.12Å; S451-R536 PolarHBondContact N-O 3.4Å; S451-R536 PolarHBondContact OG-N 3.27Å; A530-R536 PolarHBondContact O-NH2 2.75Å; Y531-R536 PolarHBondContact O-NH1 3.02Å; G534-R536 WeakPolarHBondContact O-CD 3.41Å; G534-R536 PolarHBondContact O-NH1 3.43Å; R536-L626 WeakPolarHBondContact CG-O 3.41Å; R536-D627 WeakPolarHBondContact CG-OD1 3.41Å; R536-D627 IonicContact CZ-OD1 2.67Å; R536-D627 IonicContact NE-OD1 3.77Å; R536-D627 PolarHBondContact NE-OD1 3.48Å; R536-D627 IonicContact NH2-OD1 3.87Å; R536-D627 PolarHBondContact NH2-OD1 3.16Å |
| 537 | G | 87.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -71.2 | -178.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L449 L626 | L449-G537 WeakPolarHBondContact CD2-O 3.47Å; G537-L626 PolarHBondContact N-O 2.97Å; G537-L626 VanDerWaalsContact N-O 3.16Å |
| 538 | P | 89.3 | Confident | 89.1 | Confident | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.051 | C | C | . | . | cis | -80.1 | 158.9 | -11.1 | 36.2 | -36 | 0 | 0 | 0 | 110.8 | G450 A543 L626 W720 R722 I935 | G450-P538 VanDerWaalsContact CA-O 3.23Å; G450-P538 WeakPolarHBondContact CA-O 3.08Å; P538-A543 CarbonylContact C-O 3.49Å; P538-A543 WeakPolarHBondContact CA-O 3.47Å; P538-A543 WeakPolarHBondContact CB-O 3.5Å; P538-L626 HydrophobicContact CB-CD2 4.43Å; P538-W720 HydrophobicContact CG-CB 4.12Å; P538-W720 HydrophobicContact CG-CD2 3.55Å; P538-W720 HydrophobicContact CG-CE3 4.36Å; P538-W720 HydrophobicContact CG-CG 3.58Å; P538-R722 PolarHBondContact O-NH2 2.88Å; P538-R722 VanDerWaalsContact O-NH2 3.09Å; P538-I935 HydrophobicContact CB-CD1 3.7Å; P538-I935 HydrophobicContact CB-CG1 4.21Å; P538-I935 HydrophobicContact CG-CB 4.31Å; P538-I935 HydrophobicContact CG-CD1 3.72Å; P538-I935 HydrophobicContact CG-CG1 3.84Å; P538-I935 HydrophobicContact CG-CG2 4.46Å | ||
| 539 | A | 87.2 | Confident | 89.6 | Confident | 2 Ų | 2 | 8.5 Ų | 8.5 | 2% | 0.017 | 5% | 0.045 | C | C | . | . | trans | -64.2 | 164.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P418 L452 D541 G542 A543 W720 | P418-A539 HydrophobicContact CG-CB 4.18Å; L452-A539 HydrophobicContact CD1-CB 3.99Å; A539-D541 VanDerWaalsContact CB-OD1 3.31Å; A539-D541 WeakPolarHBondContact CB-OD1 3.41Å; A539-D541 PolarHBondContact O-N 3.25Å; A539-D541 VanDerWaalsContact O-N 3.11Å; A539-G542 WeakPolarHBondContact O-CA 3.33Å; A539-G542 PolarHBondContact O-N 3.42Å; A539-A543 HydrophobicContact CB-CB 4.31Å; A539-A543 PolarHBondContact N-O 3.25Å; A539-W720 VanDerWaalsContact O-CE3 3.29Å | ||
| 540 | F | 81.6 | Confident | 90 | Very high | 75 Ų | 75 | 8.2 Ų | 8.2 | 33% | 0.329 | 4% | 0.043 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.3 | -177.3 | -74.5 | -84 | 0 | 0 | 0 | 114.6 | P418 G450 G542 W720 | P418-F540 HydrophobicContact CG-CB 4.18Å; G450-F540 WeakPolarHBondContact O-CE2 3.42Å; F540-G542 VanDerWaalsContact C-N 3.26Å; F540-G542 PolarHBondContact O-N 3.32Å; F540-W720 AromaticContact CD1-CZ3 3.6Å; F540-W720 HydrophobicContact CD1-CZ3 3.6Å; F540-W720 AromaticContact CE1-CZ3 3.84Å; F540-W720 HydrophobicContact CE1-CZ3 3.84Å; F540-W720 HydrophobicContact CG-CZ3 4.01Å; F540-W720 HydrophobicContact CZ-CZ3 4.42Å |
| 541 | D | 85.6 | Confident | 90.3 | Very high | 7 Ų | 7 | 7.9 Ų | 7.9 | 4% | 0.037 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 11.1 | 174.7 | 73.8 | -30.5 | 0 | 0 | 0 | 113.3 | P418 A539 A543 N716 R717 G718 | P418-D541 HydrophobicContact CB-CB 4.12Å; P418-D541 HydrophobicContact CG-CB 4.11Å; A539-D541 VanDerWaalsContact CB-OD1 3.31Å; A539-D541 WeakPolarHBondContact CB-OD1 3.41Å; A539-D541 PolarHBondContact O-N 3.25Å; A539-D541 VanDerWaalsContact O-N 3.11Å; D541-A543 VanDerWaalsContact C-N 3.33Å; D541-A543 PolarHBondContact O-N 3.09Å; D541-A543 WeakPolarHBondContact OD1-CB 3.28Å; D541-A543 PolarHBondContact OD1-N 2.94Å; D541-N716 VanDerWaalsContact C-ND2 3.34Å; D541-N716 CarbonylContact O-C 2.82Å; D541-N716 WeakPolarHBondContact O-CA 3.36Å; D541-N716 VanDerWaalsContact O-CB 3.26Å; D541-N716 WeakPolarHBondContact O-CB 3.45Å; D541-N716 VanDerWaalsContact O-CG 3.26Å; D541-N716 PolarHBondContact O-ND2 3.21Å; D541-N716 VanDerWaalsContact O-ND2 3.16Å; D541-R717 PolarHBondContact O-N 3.47Å; D541-R717 IonicContact OD1-NH2 3.32Å; D541-R717 PolarHBondContact OD1-NH2 3.3Å; D541-R717 IonicContact OD2-CZ 3.9Å; D541-R717 IonicContact OD2-NE 3.79Å; D541-R717 PolarHBondContact OD2-NE 3.16Å; D541-R717 IonicContact OD2-NH2 3.29Å; D541-R717 PolarHBondContact OD2-NH2 3.01Å; D541-G718 PolarHBondContact O-N 3.29Å; D541-G718 VanDerWaalsContact O-N 3.15Å |
| 542 | G | 87.9 | Confident | 90.4 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.04 | C | C | . | . | S | Bend | trans | 81.6 | -3.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A539 F540 G718 P933 | A539-G542 WeakPolarHBondContact O-CA 3.33Å; A539-G542 PolarHBondContact O-N 3.42Å; F540-G542 VanDerWaalsContact C-N 3.26Å; F540-G542 PolarHBondContact O-N 3.32Å; G542-G718 WeakPolarHBondContact O-CA 3.39Å; G542-P933 VanDerWaalsContact O-CG 3.28Å; G542-P933 WeakPolarHBondContact O-CG 3.22Å |
| 543 | A | 90.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 7.8 Ų | 7.8 | 7% | 0.066 | 4% | 0.04 | C | C | . | . | trans | -63.6 | 148.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P538 A539 D541 G545 R717 | P538-A543 CarbonylContact C-O 3.49Å; P538-A543 WeakPolarHBondContact CA-O 3.47Å; P538-A543 WeakPolarHBondContact CB-O 3.5Å; A539-A543 HydrophobicContact CB-CB 4.31Å; A539-A543 PolarHBondContact N-O 3.25Å; D541-A543 VanDerWaalsContact C-N 3.33Å; D541-A543 PolarHBondContact O-N 3.09Å; D541-A543 WeakPolarHBondContact OD1-CB 3.28Å; D541-A543 PolarHBondContact OD1-N 2.94Å; A543-G545 PolarHBondContact O-N 3.22Å; A543-R717 HydrophobicContact CB-CB 3.95Å | ||
| 544 | L | 91.3 | Very high | 90.5 | Very high | 9 Ų | 9 | 6 Ų | 6 | 5% | 0.047 | 3% | 0.034 | C | C | . | . | trans | -59.6 | -37 | 172.7 | -178.1 | 61.5 | 0 | 0 | 0 | 111.5 | I546 L626 Y630 M915 P933 | L544-I546 PolarHBondContact O-N 2.95Å; L544-L626 HydrophobicContact CD1-CD2 3.79Å; L544-Y630 HydrophobicContact CD2-CE1 4.4Å; L544-M915 HydrophobicContact CD2-CE 3.85Å; L544-M915 HydrophobicContact CD2-SD 4.46Å; L544-P933 HydrophobicContact CB-CB 4.5Å; L544-P933 HydrophobicContact CB-CG 4.38Å | ||
| 545 | G | 89 | Confident | 90.5 | Very high | 13 Ų | 13 | 7.7 Ų | 7.7 | 13% | 0.134 | 4% | 0.043 | C | C | . | . | trans | 77.1 | -60.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G457 A543 C547 | G457-G545 WeakPolarHBondContact O-CA 3.43Å; A543-G545 PolarHBondContact O-N 3.22Å; G545-C547 PolarHBondContact O-N 3.41Å | ||
| 546 | I | 92.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129.2 | 171.4 | -64.3 | 154.4 | 0 | 0 | 0 | 108.7 | L452 A466 L544 L626 | L452-I546 HydrophobicContact CD2-CD1 3.87Å; L452-I546 HydrophobicContact CD2-CG1 3.75Å; A466-I546 HydrophobicContact CB-CD1 4.11Å; A466-I546 HydrophobicContact CB-CG1 4.33Å; A466-I546 HydrophobicContact CB-CG2 3.59Å; L544-I546 PolarHBondContact O-N 2.95Å; I546-L626 WeakPolarHBondContact CD1-O 3.22Å |
| 547 | C | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -46.6 | 173 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | I463 G464 G545 Y610 Y630 | I463-C547 HydrophobicContact CG2-CB 4.16Å; G464-C547 PolarHBondContact O-N 2.71Å; G545-C547 PolarHBondContact O-N 3.41Å; C547-Y610 HydrophobicContact CB-CE2 3.84Å; C547-Y610 VanDerWaalsContact SG-CE2 3.58Å; C547-Y630 WeakPolarHBondContact O-CD2 3.45Å; C547-Y630 PolarHBondContact O-N 3.3Å |
| 548 | V | 96.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 156.2 | -167 | 59.7 | 0 | 0 | 0 | 0 | 111.1 | I463 G464 V465 A466 V579 L613 M633 | I463-V548 HydrophobicContact CG2-CG1 3.68Å; G464-V548 PolarHBondContact O-N 2.81Å; V465-V548 CarbonylContact C-O 3.5Å; V465-V548 VanDerWaalsContact CA-O 3.28Å; V465-V548 WeakPolarHBondContact CA-O 3.44Å; V465-V548 HydrophobicContact CG1-CG1 4.35Å; V465-V548 HydrophobicContact CG2-CG1 3.97Å; A466-V548 PolarHBondContact N-O 3.12Å; V548-V579 HydrophobicContact CG1-CG1 4.12Å; V548-V579 HydrophobicContact CG1-CG2 4.07Å; V548-V579 HydrophobicContact CG2-CG2 4.47Å; V548-L613 HydrophobicContact CB-CD1 4.38Å; V548-L613 HydrophobicContact CG1-CD1 4.21Å; V548-L613 HydrophobicContact CG2-CD2 4.42Å; V548-M633 HydrophobicContact CG2-CB 3.85Å |
| 549 | A | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 149.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A466 L468 Q628 G631 L632 M633 | A466-A549 HydrophobicContact CB-CB 4.34Å; A466-A549 WeakPolarHBondContact O-CA 3.32Å; L468-A549 HydrophobicContact CD1-CB 3.64Å; L468-A549 HydrophobicContact CG-CB 3.9Å; A549-Q628 HydrophobicContact CB-CB 4.19Å; A549-Q628 WeakPolarHBondContact CB-O 3.43Å; A549-Q628 PolarHBondContact N-O 3.03Å; A549-G631 PolarHBondContact N-O 3.37Å; A549-L632 WeakPolarHBondContact O-CA 3.45Å; A549-M633 PolarHBondContact O-N 3.45Å; A549-M633 VanDerWaalsContact O-N 3.08Å |
| 550 | A | 96.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 165.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V465 A466 L468 G552 S575 M578 V579 | V465-A550 HydrophobicContact CG1-CB 4.11Å; A466-A550 PolarHBondContact O-N 2.9Å; L468-A550 PolarHBondContact N-O 3.29Å; A550-G552 PolarHBondContact O-N 2.86Å; A550-S575 PolarHBondContact O-OG 3.08Å; A550-M578 HydrophobicContact CB-CB 4.14Å; A550-V579 HydrophobicContact CB-CG2 3.79Å |
| 551 | P | 94.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.006 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.5 | 136.1 | 171.6 | -30.9 | 37.7 | 0 | 0 | 0 | 113.2 | P10 Q13 L468 F470 M473 S575 M578 | P10-P551 HydrophobicContact CB-CB 3.88Å; P10-P551 HydrophobicContact CB-CG 3.91Å; P10-P551 HydrophobicContact CG-CB 3.32Å; P10-P551 HydrophobicContact CG-CG 3.82Å; Q13-P551 HydrophobicContact CB-CG 3.95Å; L468-P551 CarbonylContact O-C 3.59Å; L468-P551 VanDerWaalsContact O-CA 3.28Å; L468-P551 WeakPolarHBondContact O-CA 3.28Å; F470-P551 HydrophobicContact CD2-CB 4.39Å; F470-P551 HydrophobicContact CD2-CG 4.07Å; F470-P551 HydrophobicContact CE2-CB 4.33Å; F470-P551 HydrophobicContact CE2-CG 3.73Å; M473-P551 HydrophobicContact CE-CB 4.28Å; M473-P551 HydrophobicContact SD-CB 3.96Å; P551-S575 WeakPolarHBondContact O-CA 3.39Å; P551-S575 WeakPolarHBondContact O-CB 3.46Å; P551-S575 PolarHBondContact O-OG 2.88Å; P551-M578 HydrophobicContact CB-CE 4.31Å; P551-M578 HydrophobicContact CG-CE 3.86Å |
| 552 | G | 90.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -107.4 | 19.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L468 Y531 A550 S570 G571 S575 | L468-G552 PolarHBondContact O-N 3.5Å; Y531-G552 PolarHBondContact OH-O 3.38Å; A550-G552 PolarHBondContact O-N 2.86Å; G552-S570 CarbonylContact O-C 3.59Å; G552-S570 VanDerWaalsContact O-CA 3.26Å; G552-S570 WeakPolarHBondContact O-CA 3.35Å; G552-G571 PolarHBondContact O-N 3.43Å; G552-S575 VanDerWaalsContact CA-OG 3.25Å; G552-S575 WeakPolarHBondContact CA-OG 3.33Å | ||
| 553 | G | 88 | Confident | 91.8 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 143.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | M473 Y531 L569 | M473-G553 VanDerWaalsContact CE-N 3.34Å; Y531-G553 PolarHBondContact OH-N 2.66Å; G553-L569 VanDerWaalsContact CA-O 3.31Å; G553-L569 WeakPolarHBondContact CA-O 3.41Å |
| 554 | A | 89 | Confident | 91.6 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 2% | 0.017 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 142.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L9 H331 I335 V568 L569 | L9-A554 HydrophobicContact CD1-CB 3.98Å; H331-A554 PolarHBondContact CE1-O 2.83Å; H331-A554 VanDerWaalsContact CE1-O 3.25Å; H331-A554 PolarHBondContact NE2-O 3.08Å; I335-A554 HydrophobicContact CD1-CB 3.83Å; I335-A554 HydrophobicContact CG1-CB 3.95Å; A554-V568 WeakPolarHBondContact O-CA 3.3Å; A554-L569 PolarHBondContact N-O 2.81Å; A554-L569 VanDerWaalsContact N-O 3.11Å; A554-L569 PolarHBondContact O-N 2.87Å; A554-L569 VanDerWaalsContact O-N 3.14Å |
| 555 | N | 88.7 | Confident | 91.2 | Very high | 35 Ų | 35 | 25.6 Ų | 25.6 | 19% | 0.187 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 110 | 168.3 | -169.3 | 22.9 | 0 | 0 | 0 | 109.8 | F5 L8 L477 S567 V568 | F5-N555 PolarHBondContact O-ND2 2.87Å; L8-N555 HydrophobicContact CB-CB 4.04Å; L8-N555 PolarHBondContact O-N 3.05Å; L477-N555 HydrophobicContact CD2-CB 4.15Å; N555-S567 WeakPolarHBondContact CA-O 3.49Å; N555-S567 VanDerWaalsContact OD1-C 3.28Å; N555-S567 PolarHBondContact OD1-O 3.49Å; N555-V568 HydrophobicContact CB-CG2 4.01Å |
| 556 | T | 90.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | -179.5 | 178.6 | -162.3 | 0 | 0 | 0 | 0 | 112.7 | H331 A334 I335 A566 S567 | H331-T556 PolarHBondContact CD2-O 3.36Å; A334-T556 HydrophobicContact CB-CG2 3.81Å; A334-T556 WeakPolarHBondContact CB-OG1 3.29Å; I335-T556 HydrophobicContact CG1-CG2 3.74Å; T556-A566 CarbonylContact O-C 3.57Å; T556-A566 WeakPolarHBondContact O-CA 3.41Å; T556-A566 WeakPolarHBondContact O-CB 3.49Å; T556-S567 PolarHBondContact N-O 3.17Å; T556-S567 PolarHBondContact O-N 2.86Å |
| 557 | S | 90.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 143.8 | -171.2 | -56.2 | 0 | 0 | 0 | 0 | 114 | A45 H331 P565 | A45-S557 WeakPolarHBondContact O-CB 3.38Å; A45-S557 PolarHBondContact O-OG 2.96Å; H331-S557 VanDerWaalsContact CA-O 3.25Å; H331-S557 WeakPolarHBondContact CA-O 3.45Å; H331-S557 PolarHBondContact N-O 3.47Å; S557-P565 WeakPolarHBondContact CA-O 3.47Å |
| 558 | I | 92.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | trans | -127.7 | 172.1 | 172.7 | 46.1 | 169.7 | 0 | 0 | 0 | 110.4 | H331 Q562 K564 P565 S567 | H331-I558 HydrophobicContact CB-CG2 4.34Å; I558-Q562 HydrophobicContact CD1-CB 4.16Å; I558-K564 HydrophobicContact CD1-CB 3.8Å; I558-K564 WeakPolarHBondContact CD1-O 3.42Å; I558-K564 WeakPolarHBondContact CG1-O 3.43Å; I558-P565 PolarHBondContact N-O 3.16Å; I558-S567 VanDerWaalsContact CG2-OG 3.29Å; I558-S567 WeakPolarHBondContact CG2-OG 3.48Å | ||
| 559 | A | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -72.4 | 141.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D41 N324 W561 Q562 | D41-A559 HydrophobicContact CB-CB 3.67Å; D41-A559 WeakPolarHBondContact OD2-CA 3.29Å; N324-A559 WeakPolarHBondContact ND2-CB 3.41Å; A559-W561 VanDerWaalsContact C-N 3.26Å; A559-W561 PolarHBondContact O-N 3.33Å; A559-W561 VanDerWaalsContact O-N 3.16Å; A559-Q562 PolarHBondContact O-N 2.93Å | ||
| 560 | S | 92.8 | Very high | 89.6 | Confident | 33 Ų | 33 | 34.3 Ų | 34.3 | 23% | 0.231 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -59.5 | -31 | -170 | -62.5 | 0 | 0 | 0 | 0 | 113.6 | D41 T43 Q562 L563 | D41-S560 PolarHBondContact OD2-N 3.04Å; D41-S560 PolarHBondContact OD2-OG 3.44Å; T43-S560 PolarHBondContact OG1-OG 3.17Å; S560-Q562 PolarHBondContact O-N 3.05Å; S560-Q562 VanDerWaalsContact O-N 3.09Å; S560-L563 PolarHBondContact O-N 3.27Å |
| 561 | W | 92.2 | Very high | 89.2 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 5% | 0.045 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -61.9 | -15 | 176.4 | 69.1 | -100.5 | 0 | 0 | 0 | 115 | P117 L119 L120 T304 Q305 L306 N324 A559 L563 | P117-W561 HydrophobicContact CB-CH2 3.67Å; P117-W561 HydrophobicContact CB-CZ2 3.71Å; P117-W561 HydrophobicContact CB-CZ3 4.12Å; P117-W561 HydrophobicContact CG-CD2 4.13Å; P117-W561 HydrophobicContact CG-CH2 4.04Å; P117-W561 HydrophobicContact CG-CZ2 3.56Å; P117-W561 HydrophobicContact CG-CZ3 4.49Å; L119-W561 HydrophobicContact CB-CH2 4.31Å; L119-W561 HydrophobicContact CB-CZ3 4.05Å; L119-W561 HydrophobicContact CD1-CH2 4.49Å; L120-W561 HydrophobicContact CB-CE3 3.99Å; L120-W561 HydrophobicContact CB-CZ3 4.31Å; L120-W561 HydrophobicContact CD1-CB 4.37Å; L120-W561 HydrophobicContact CD1-CE3 4.5Å; L120-W561 HydrophobicContact CD2-CB 4.32Å; T304-W561 VanDerWaalsContact O-CB 3.23Å; T304-W561 WeakPolarHBondContact O-CB 3.43Å; Q305-W561 PolarHBondContact O-N 2.79Å; Q305-W561 VanDerWaalsContact O-N 3.1Å; L306-W561 HydrophobicContact CB-CB 4.39Å; L306-W561 HydrophobicContact CD1-CB 4.44Å; L306-W561 VanDerWaalsContact CD1-CD1 3.44Å; L306-W561 HydrophobicContact CD1-CG 4.07Å; N324-W561 PolarHBondContact ND2-NE1 3.44Å; N324-W561 VanDerWaalsContact ND2-NE1 3.16Å; A559-W561 VanDerWaalsContact C-N 3.26Å; A559-W561 PolarHBondContact O-N 3.33Å; A559-W561 VanDerWaalsContact O-N 3.16Å; W561-L563 VanDerWaalsContact C-N 3.3Å |
| 562 | Q | 89.6 | Confident | 89.1 | Confident | 57 Ų | 57 | 34.3 Ų | 34.3 | 27% | 0.266 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -84.2 | 0.2 | 172.5 | -64.2 | -160.5 | -37.3 | 0 | 0 | 114.1 | S327 I558 A559 S560 K564 | S327-Q562 VanDerWaalsContact CB-OE1 3.22Å; S327-Q562 PolarHBondContact OG-NE2 2.91Å; S327-Q562 VanDerWaalsContact OG-NE2 3.13Å; S327-Q562 PolarHBondContact OG-OE1 3.26Å; I558-Q562 HydrophobicContact CD1-CB 4.16Å; A559-Q562 PolarHBondContact O-N 2.93Å; S560-Q562 PolarHBondContact O-N 3.05Å; S560-Q562 VanDerWaalsContact O-N 3.09Å; Q562-K564 PolarHBondContact O-N 2.98Å; Q562-K564 VanDerWaalsContact O-N 3.1Å |
| 563 | L | 89.3 | Confident | 89.2 | Confident | 111 Ų | 111 | 34.8 Ų | 34.8 | 58% | 0.581 | 20% | 0.199 | S | C | * | . | S | Bend | trans | 56 | 26.9 | 175.4 | -51.1 | 179.6 | 0 | 0 | 0 | 114.1 | Q305 S560 W561 | Q305-L563 HydrophobicContact CB-CD2 4.46Å; Q305-L563 HydrophobicContact CG-CD2 4.05Å; S560-L563 PolarHBondContact O-N 3.27Å; W561-L563 VanDerWaalsContact C-N 3.3Å |
| 564 | K | 85.6 | Confident | 89.5 | Confident | 141 Ų | 141 | 34.9 Ų | 34.9 | 61% | 0.613 | 20% | 0.199 | S | C | * | . | trans | -141.4 | 139.4 | 179.3 | -70.8 | 176.4 | -176.6 | 176.2 | 0 | 108.4 | I558 Q562 | I558-K564 HydrophobicContact CD1-CB 3.8Å; I558-K564 WeakPolarHBondContact CD1-O 3.42Å; I558-K564 WeakPolarHBondContact CG1-O 3.43Å; Q562-K564 PolarHBondContact O-N 2.98Å; Q562-K564 VanDerWaalsContact O-N 3.1Å | ||
| 565 | P | 82.4 | Confident | 89.8 | Confident | 113 Ų | 113 | 34.8 Ų | 34.8 | 73% | 0.734 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -77.7 | -28.3 | -174.9 | 29.8 | -35.2 | 0 | 0 | 0 | 113.7 | S557 I558 | S557-P565 WeakPolarHBondContact CA-O 3.47Å; I558-P565 PolarHBondContact N-O 3.16Å |
| 566 | A | 86.4 | Confident | 90.2 | Very high | 32 Ų | 32 | 33.1 Ų | 33.1 | 26% | 0.264 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 160.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T556 | T556-A566 CarbonylContact O-C 3.57Å; T556-A566 WeakPolarHBondContact O-CA 3.41Å; T556-A566 WeakPolarHBondContact O-CB 3.49Å |
| 567 | S | 86.7 | Confident | 90.6 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 19% | 0.189 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 158.3 | 169.1 | 69.1 | 0 | 0 | 0 | 0 | 112.9 | H331 N555 T556 I558 | H331-S567 PolarHBondContact NE2-O 3.01Å; N555-S567 WeakPolarHBondContact CA-O 3.49Å; N555-S567 VanDerWaalsContact OD1-C 3.28Å; N555-S567 PolarHBondContact OD1-O 3.49Å; T556-S567 PolarHBondContact N-O 3.17Å; T556-S567 PolarHBondContact O-N 2.86Å; I558-S567 VanDerWaalsContact CG2-OG 3.29Å; I558-S567 WeakPolarHBondContact CG2-OG 3.48Å |
| 568 | V | 86.8 | Confident | 90.8 | Very high | 56 Ų | 56 | 32.6 Ų | 32.6 | 34% | 0.339 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 115.1 | 165.9 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | L477 A554 N555 | L477-V568 HydrophobicContact CB-CG1 4.25Å; L477-V568 HydrophobicContact CD2-CB 4.44Å; L477-V568 HydrophobicContact CD2-CG1 3.89Å; L477-V568 HydrophobicContact CD2-CG2 3.69Å; L477-V568 HydrophobicContact CG-CG1 4.48Å; A554-V568 WeakPolarHBondContact O-CA 3.3Å; N555-V568 HydrophobicContact CB-CG2 4.01Å |
| 569 | L | 88.2 | Confident | 91.1 | Very high | 33 Ų | 33 | 32.4 Ų | 32.4 | 17% | 0.173 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 153.5 | 166.9 | -59.5 | -176.1 | 0 | 0 | 0 | 109.9 | H331 G553 A554 M574 | H331-L569 HydrophobicContact CB-CD1 3.91Å; G553-L569 VanDerWaalsContact CA-O 3.31Å; G553-L569 WeakPolarHBondContact CA-O 3.41Å; A554-L569 PolarHBondContact N-O 2.81Å; A554-L569 VanDerWaalsContact N-O 3.11Å; A554-L569 PolarHBondContact O-N 2.87Å; A554-L569 VanDerWaalsContact O-N 3.14Å; L569-M574 HydrophobicContact CB-CE 3.97Å; L569-M574 HydrophobicContact CB-CG 4.28Å; L569-M574 HydrophobicContact CB-SD 3.74Å; L569-M574 HydrophobicContact CD1-CE 4.07Å |
| 570 | S | 88.4 | Confident | 91.3 | Very high | 48 Ų | 48 | 32.4 Ų | 32.4 | 34% | 0.336 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 132.7 | 178 | -53.9 | 0 | 0 | 0 | 0 | 110 | Y478 G552 | Y478-S570 PolarHBondContact OH-OG 3.45Å; G552-S570 CarbonylContact O-C 3.59Å; G552-S570 VanDerWaalsContact O-CA 3.26Å; G552-S570 WeakPolarHBondContact O-CA 3.35Å |
| 571 | G | 88.9 | Confident | 91.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 170.3 | 157.8 | -176 | 0 | 0 | 0 | 0 | 0 | 112 | G552 S573 M574 | G552-G571 PolarHBondContact O-N 3.43Å; G571-S573 PolarHBondContact O-N 2.85Å; G571-M574 WeakPolarHBondContact O-CB 3.47Å; G571-M574 PolarHBondContact O-N 3.22Å |
| 572 | S | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.8 | -24.2 | 161.5 | 57.2 | 0 | 0 | 0 | 0 | 111.6 | S441 G443 N444 M574 S575 A576 | S441-S572 VanDerWaalsContact CB-OG 3.29Å; S441-S572 WeakPolarHBondContact CB-OG 3.19Å; G443-S572 PolarHBondContact N-OG 2.76Å; G443-S572 PolarHBondContact O-OG 3.08Å; N444-S572 WeakPolarHBondContact OD1-CB 3.24Å; N444-S572 PolarHBondContact OD1-N 3.29Å; N444-S572 PolarHBondContact OD1-OG 3.11Å; S572-M574 PolarHBondContact O-N 3.2Å; S572-S575 WeakPolarHBondContact O-CB 3.39Å; S572-S575 PolarHBondContact O-N 3.48Å; S572-A576 PolarHBondContact O-N 2.92Å |
| 573 | S | 92.9 | Very high | 92.2 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 8% | 0.077 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.2 | -23.3 | 167.6 | -53.7 | 0 | 0 | 0 | 0 | 114.9 | H328 S410 G571 P577 | H328-S573 VanDerWaalsContact NE2-CB 3.32Å; H328-S573 WeakPolarHBondContact NE2-CB 3.24Å; S410-S573 WeakPolarHBondContact CB-O 3.4Å; S410-S573 WeakPolarHBondContact O-CB 3.46Å; S410-S573 PolarHBondContact O-OG 3.01Å; S410-S573 PolarHBondContact OG-O 2.84Å; G571-S573 PolarHBondContact O-N 2.85Å; S573-P577 WeakPolarHBondContact O-CD 3.33Å; S573-P577 WeakPolarHBondContact O-CG 3.39Å |
| 574 | M | 93.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.02 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -91.3 | -23.8 | 172.1 | -73.4 | 64.7 | -111.3 | 0 | 0 | 111.8 | V332 I335 L569 G571 S572 P577 M578 | V332-M574 HydrophobicContact CG2-CE 4.12Å; I335-M574 HydrophobicContact CD1-CB 3.85Å; I335-M574 HydrophobicContact CD1-CG 3.71Å; L569-M574 HydrophobicContact CB-CE 3.97Å; L569-M574 HydrophobicContact CB-CG 4.28Å; L569-M574 HydrophobicContact CB-SD 3.74Å; L569-M574 HydrophobicContact CD1-CE 4.07Å; G571-M574 WeakPolarHBondContact O-CB 3.47Å; G571-M574 PolarHBondContact O-N 3.22Å; S572-M574 PolarHBondContact O-N 3.2Å; M574-P577 WeakPolarHBondContact O-CD 3.49Å; M574-P577 WeakPolarHBondContact O-CG 3.41Å; M574-M578 WeakPolarHBondContact O-CG 3.33Å |
| 575 | S | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -78.1 | -36.9 | 177.1 | -50.5 | 0 | 0 | 0 | 0 | 113 | P467 A550 P551 G552 S572 M578 V579 | P467-S575 WeakPolarHBondContact CA-OG 3.38Å; A550-S575 PolarHBondContact O-OG 3.08Å; P551-S575 WeakPolarHBondContact O-CA 3.39Å; P551-S575 WeakPolarHBondContact O-CB 3.46Å; P551-S575 PolarHBondContact O-OG 2.88Å; G552-S575 VanDerWaalsContact CA-OG 3.25Å; G552-S575 WeakPolarHBondContact CA-OG 3.33Å; S572-S575 WeakPolarHBondContact O-CB 3.39Å; S572-S575 PolarHBondContact O-N 3.48Å; S575-M578 WeakPolarHBondContact O-CB 3.48Å; S575-M578 PolarHBondContact O-N 3.47Å; S575-V579 PolarHBondContact O-N 3.23Å; S575-V579 VanDerWaalsContact O-N 3.16Å |
| 576 | A | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57 | -46.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N408 V439 V465 S572 M578 V579 T580 | N408-A576 WeakPolarHBondContact OD1-CB 3.45Å; N408-A576 PolarHBondContact OD1-O 3.22Å; V439-A576 HydrophobicContact CG1-CB 4.22Å; V439-A576 WeakPolarHBondContact CG1-O 3.42Å; V465-A576 HydrophobicContact CG2-CB 4.45Å; S572-A576 PolarHBondContact O-N 2.92Å; A576-M578 VanDerWaalsContact C-N 3.35Å; A576-M578 PolarHBondContact O-N 3.15Å; A576-V579 PolarHBondContact O-N 3.38Å; A576-T580 WeakPolarHBondContact O-CB 3.42Å; A576-T580 PolarHBondContact O-N 2.81Å; A576-T580 PolarHBondContact O-OG1 2.88Å |
| 577 | P | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -71.6 | -28 | 178.9 | 23.6 | -33.3 | 0 | 0 | 0 | 113.1 | V332 I335 A336 N408 S573 M574 T580 G581 | V332-P577 HydrophobicContact CB-CG 4.48Å; V332-P577 HydrophobicContact CG1-CB 4.08Å; V332-P577 HydrophobicContact CG1-CG 4.07Å; V332-P577 WeakPolarHBondContact O-CB 3.15Å; I335-P577 HydrophobicContact CB-CB 3.99Å; I335-P577 HydrophobicContact CB-CG 3.92Å; I335-P577 HydrophobicContact CD1-CG 3.94Å; I335-P577 HydrophobicContact CG2-CB 3.95Å; I335-P577 HydrophobicContact CG2-CG 3.85Å; A336-P577 HydrophobicContact CB-CB 3.9Å; N408-P577 WeakPolarHBondContact OD1-CA 3.5Å; N408-P577 WeakPolarHBondContact OD1-CD 3.49Å; S573-P577 WeakPolarHBondContact O-CD 3.33Å; S573-P577 WeakPolarHBondContact O-CG 3.39Å; M574-P577 WeakPolarHBondContact O-CD 3.49Å; M574-P577 WeakPolarHBondContact O-CG 3.41Å; P577-T580 PolarHBondContact O-N 3.46Å; P577-G581 PolarHBondContact O-N 2.85Å |
| 578 | M | 96.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 7.9 Ų | 7.9 | 1% | 0.01 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.6 | -49.5 | 169.3 | -77.3 | -78.1 | -71 | 0 | 0 | 111.3 | P10 I14 I335 V367 A550 P551 M574 S575 A576 G581 G582 | P10-M578 HydrophobicContact CG-CE 4.17Å; P10-M578 WeakPolarHBondContact O-CE 3.38Å; I14-M578 HydrophobicContact CD1-CE 3.66Å; I14-M578 HydrophobicContact CD1-SD 4.45Å; I14-M578 HydrophobicContact CG1-CE 3.87Å; I14-M578 HydrophobicContact CG2-CE 4.1Å; I335-M578 HydrophobicContact CG2-CG 3.77Å; I335-M578 HydrophobicContact CG2-SD 4.11Å; V367-M578 HydrophobicContact CG2-CE 4.49Å; V367-M578 HydrophobicContact CG2-SD 3.49Å; V367-M578 WeakPolarHBondContact CG2-SD 3.5Å; A550-M578 HydrophobicContact CB-CB 4.14Å; P551-M578 HydrophobicContact CB-CE 4.31Å; P551-M578 HydrophobicContact CG-CE 3.86Å; M574-M578 WeakPolarHBondContact O-CG 3.33Å; S575-M578 WeakPolarHBondContact O-CB 3.48Å; S575-M578 PolarHBondContact O-N 3.47Å; A576-M578 VanDerWaalsContact C-N 3.35Å; A576-M578 PolarHBondContact O-N 3.15Å; M578-G581 PolarHBondContact O-N 3.23Å; M578-G582 PolarHBondContact O-N 2.85Å |
| 579 | V | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -67.6 | -39.7 | 177.5 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | V439 I463 V465 V548 A550 S575 A576 G581 G582 I583 M633 | V439-V579 HydrophobicContact CG1-CB 4Å; V439-V579 HydrophobicContact CG1-CG1 3.87Å; V439-V579 HydrophobicContact CG2-CG1 4.24Å; I463-V579 HydrophobicContact CG2-CG1 4.4Å; V465-V579 HydrophobicContact CG1-CG2 3.73Å; V465-V579 HydrophobicContact CG2-CB 4.11Å; V465-V579 HydrophobicContact CG2-CG1 4.33Å; V465-V579 HydrophobicContact CG2-CG2 3.99Å; V548-V579 HydrophobicContact CG1-CG1 4.12Å; V548-V579 HydrophobicContact CG1-CG2 4.07Å; V548-V579 HydrophobicContact CG2-CG2 4.47Å; A550-V579 HydrophobicContact CB-CG2 3.79Å; S575-V579 PolarHBondContact O-N 3.23Å; S575-V579 VanDerWaalsContact O-N 3.16Å; A576-V579 PolarHBondContact O-N 3.38Å; V579-G581 PolarHBondContact O-N 3.36Å; V579-G582 PolarHBondContact O-N 2.87Å; V579-I583 HydrophobicContact CG1-CD1 3.79Å; V579-I583 HydrophobicContact CG1-CG1 4.41Å; V579-I583 WeakPolarHBondContact O-CG1 3.48Å; V579-I583 PolarHBondContact O-N 2.57Å; V579-M633 HydrophobicContact CB-SD 4.21Å; V579-M633 HydrophobicContact CG1-SD 4.02Å; V579-M633 HydrophobicContact CG2-SD 4.15Å |
| 580 | T | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 175.7 | -60.2 | 0 | 0 | 0 | 0 | 112 | I33 I406 N408 V439 A576 P577 I583 S584 | I33-T580 HydrophobicContact CD1-CG2 4.21Å; I33-T580 HydrophobicContact CG1-CG2 4.21Å; I33-T580 HydrophobicContact CG2-CG2 3.64Å; I406-T580 HydrophobicContact CD1-CG2 3.96Å; I406-T580 HydrophobicContact CG1-CG2 4.05Å; I406-T580 HydrophobicContact CG2-CG2 3.97Å; N408-T580 HydrophobicContact CB-CG2 4.07Å; N408-T580 PolarHBondContact OD1-OG1 3.32Å; V439-T580 WeakPolarHBondContact CB-OG1 3.24Å; A576-T580 WeakPolarHBondContact O-CB 3.42Å; A576-T580 PolarHBondContact O-N 2.81Å; A576-T580 PolarHBondContact O-OG1 2.88Å; P577-T580 PolarHBondContact O-N 3.46Å; T580-I583 PolarHBondContact O-N 3.36Å; T580-S584 WeakPolarHBondContact O-CB 3.46Å; T580-S584 PolarHBondContact O-N 2.79Å; T580-S584 PolarHBondContact O-OG 3.21Å |
| 581 | G | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P577 M578 V579 I583 S584 L585 | P577-G581 PolarHBondContact O-N 2.85Å; M578-G581 PolarHBondContact O-N 3.23Å; V579-G581 PolarHBondContact O-N 3.36Å; G581-I583 VanDerWaalsContact C-N 3.34Å; G581-I583 PolarHBondContact O-N 2.81Å; G581-S584 WeakPolarHBondContact O-CA 3.41Å; G581-S584 WeakPolarHBondContact O-CB 3.42Å; G581-S584 PolarHBondContact O-N 3.26Å; G581-L585 PolarHBondContact O-N 2.67Å |
| 582 | G | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -57.9 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M578 V579 S584 L585 I586 | M578-G582 PolarHBondContact O-N 2.85Å; V579-G582 PolarHBondContact O-N 2.87Å; G582-S584 VanDerWaalsContact C-N 3.34Å; G582-L585 PolarHBondContact O-N 3.41Å; G582-I586 WeakPolarHBondContact O-CG1 3.47Å; G582-I586 PolarHBondContact O-N 2.85Å |
| 583 | I | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -68.9 | -34.9 | 174 | -63.6 | 164.4 | 0 | 0 | 0 | 110.8 | I406 I437 V439 I463 V579 T580 G581 L585 I586 L587 I609 M633 | I406-I583 HydrophobicContact CD1-CB 3.73Å; I406-I583 HydrophobicContact CD1-CD1 4.07Å; I406-I583 HydrophobicContact CD1-CG2 3.66Å; I437-I583 HydrophobicContact CD1-CG2 4.15Å; I437-I583 HydrophobicContact CG2-CD1 4.39Å; V439-I583 HydrophobicContact CG2-CD1 3.76Å; I463-I583 HydrophobicContact CD1-CD1 3.99Å; V579-I583 HydrophobicContact CG1-CD1 3.79Å; V579-I583 HydrophobicContact CG1-CG1 4.41Å; V579-I583 WeakPolarHBondContact O-CG1 3.48Å; V579-I583 PolarHBondContact O-N 2.57Å; T580-I583 PolarHBondContact O-N 3.36Å; G581-I583 VanDerWaalsContact C-N 3.34Å; G581-I583 PolarHBondContact O-N 2.81Å; I583-L585 VanDerWaalsContact C-N 3.32Å; I583-L585 PolarHBondContact O-N 2.92Å; I583-I586 WeakPolarHBondContact O-CB 3.39Å; I583-I586 PolarHBondContact O-N 3.29Å; I583-L587 HydrophobicContact CG2-CD1 4.13Å; I583-L587 HydrophobicContact CG2-CG 4.24Å; I583-L587 WeakPolarHBondContact O-CG 3.14Å; I583-L587 PolarHBondContact O-N 2.91Å; I583-I609 HydrophobicContact CD1-CG2 3.85Å; I583-I609 HydrophobicContact CG1-CG2 4.1Å; I583-I609 HydrophobicContact CG2-CG2 4.12Å; I583-M633 HydrophobicContact CG1-CE 3.94Å |
| 584 | S | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -65.2 | -33.5 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | T31 T580 G581 G582 S588 | T31-S584 PolarHBondContact OG1-O 3.42Å; T580-S584 WeakPolarHBondContact O-CB 3.46Å; T580-S584 PolarHBondContact O-N 2.79Å; T580-S584 PolarHBondContact O-OG 3.21Å; G581-S584 WeakPolarHBondContact O-CA 3.41Å; G581-S584 WeakPolarHBondContact O-CB 3.42Å; G581-S584 PolarHBondContact O-N 3.26Å; G582-S584 VanDerWaalsContact C-N 3.34Å; S584-S588 WeakPolarHBondContact O-CB 3.31Å; S584-S588 PolarHBondContact O-N 2.83Å |
| 585 | L | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.3 | -49.1 | 169 | -67.8 | 179.5 | 0 | 0 | 0 | 111.5 | F19 L20 C26 N27 V367 A368 G581 G582 I583 L587 S588 G589 V635 | F19-L585 HydrophobicContact CD1-CB 3.97Å; F19-L585 HydrophobicContact CD1-CD1 4.02Å; F19-L585 HydrophobicContact CD1-CD2 4.44Å; F19-L585 HydrophobicContact CD1-CG 4.38Å; F19-L585 HydrophobicContact CE1-CB 3.72Å; F19-L585 HydrophobicContact CE1-CD2 4.4Å; F19-L585 HydrophobicContact CE1-CG 4.45Å; F19-L585 HydrophobicContact CZ-CB 4.42Å; L20-L585 HydrophobicContact CD2-CD2 3.82Å; L20-L585 HydrophobicContact CG-CD1 4.45Å; L20-L585 HydrophobicContact CG-CD2 4.32Å; C26-L585 WeakPolarHBondContact O-CD2 3.49Å; N27-L585 VanDerWaalsContact C-CD2 3.44Å; V367-L585 HydrophobicContact CG1-CD1 4.14Å; V367-L585 WeakPolarHBondContact O-CD1 3.23Å; A368-L585 HydrophobicContact CB-CD2 4.1Å; A368-L585 HydrophobicContact CB-CG 4.24Å; G581-L585 PolarHBondContact O-N 2.67Å; G582-L585 PolarHBondContact O-N 3.41Å; I583-L585 VanDerWaalsContact C-N 3.32Å; I583-L585 PolarHBondContact O-N 2.92Å; L585-L587 PolarHBondContact O-N 3.16Å; L585-S588 WeakPolarHBondContact O-CB 2.98Å; L585-S588 PolarHBondContact O-N 2.92Å; L585-S588 VanDerWaalsContact O-N 3.15Å; L585-G589 PolarHBondContact O-N 3.09Å; L585-V635 HydrophobicContact CB-CG1 4.05Å; L585-V635 HydrophobicContact CD1-CG1 3.99Å |
| 586 | I | 95.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.6 | -48.1 | 178 | -64.1 | 164.2 | 0 | 0 | 0 | 110.7 | G582 I583 S588 G589 L590 M633 V635 A638 F639 | G582-I586 WeakPolarHBondContact O-CG1 3.47Å; G582-I586 PolarHBondContact O-N 2.85Å; I583-I586 WeakPolarHBondContact O-CB 3.39Å; I583-I586 PolarHBondContact O-N 3.29Å; I586-S588 VanDerWaalsContact C-N 3.32Å; I586-S588 PolarHBondContact O-N 2.95Å; I586-G589 PolarHBondContact O-N 2.64Å; I586-L590 HydrophobicContact CG2-CD1 3.97Å; I586-L590 VanDerWaalsContact O-CG 3.32Å; I586-L590 WeakPolarHBondContact O-CG 3.31Å; I586-L590 PolarHBondContact O-N 3.08Å; I586-M633 HydrophobicContact CD1-CE 3.82Å; I586-V635 HydrophobicContact CG1-CG1 4.19Å; I586-A638 HydrophobicContact CD1-CB 3.46Å; I586-A638 VanDerWaalsContact CD1-CB 3.46Å; I586-A638 HydrophobicContact CG1-CB 4.47Å; I586-F639 HydrophobicContact CG1-CB 4.19Å; I586-F639 HydrophobicContact CG2-CD2 4.43Å |
| 587 | L | 94.5 | Very high | 88.6 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 177.1 | -68.3 | 173.8 | 0 | 0 | 0 | 112.1 | T31 D405 I437 I583 L585 R591 I604 | T31-L587 HydrophobicContact CG2-CB 4.49Å; T31-L587 HydrophobicContact CG2-CD1 4.04Å; D405-L587 HydrophobicContact CB-CD1 4.31Å; I437-L587 HydrophobicContact CD1-CD1 3.95Å; I437-L587 HydrophobicContact CD1-CD2 4.24Å; I583-L587 HydrophobicContact CG2-CD1 4.13Å; I583-L587 HydrophobicContact CG2-CG 4.24Å; I583-L587 WeakPolarHBondContact O-CG 3.14Å; I583-L587 PolarHBondContact O-N 2.91Å; L585-L587 PolarHBondContact O-N 3.16Å; L587-R591 WeakPolarHBondContact O-CB 3.48Å; L587-R591 WeakPolarHBondContact O-CD 3.11Å; L587-R591 WeakPolarHBondContact O-CG 3.42Å; L587-R591 PolarHBondContact O-N 2.96Å; L587-I604 HydrophobicContact CD2-CB 3.92Å; L587-I604 HydrophobicContact CD2-CG1 3.58Å |
| 588 | S | 93.3 | Very high | 86.3 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.8 | -44 | 177.3 | -168.8 | 0 | 0 | 0 | 0 | 111.8 | G28 C29 S584 L585 I586 R591 H592 | G28-S588 PolarHBondContact N-OG 3Å; C29-S588 PolarHBondContact N-OG 2.76Å; C29-S588 WeakPolarHBondContact O-CB 3.19Å; C29-S588 PolarHBondContact O-OG 3.29Å; S584-S588 WeakPolarHBondContact O-CB 3.31Å; S584-S588 PolarHBondContact O-N 2.83Å; L585-S588 WeakPolarHBondContact O-CB 2.98Å; L585-S588 PolarHBondContact O-N 2.92Å; L585-S588 VanDerWaalsContact O-N 3.15Å; I586-S588 VanDerWaalsContact C-N 3.32Å; I586-S588 PolarHBondContact O-N 2.95Å; S588-R591 PolarHBondContact O-N 3.16Å; S588-H592 WeakPolarHBondContact O-CB 3.46Å; S588-H592 PolarHBondContact O-N 2.92Å |
| 589 | G | 92.2 | Very high | 84.1 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.8 | -47.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L585 I586 R591 H592 R593 | L585-G589 PolarHBondContact O-N 3.09Å; I586-G589 PolarHBondContact O-N 2.64Å; G589-R591 VanDerWaalsContact C-N 3.35Å; G589-R591 PolarHBondContact O-N 2.7Å; G589-H592 PolarHBondContact O-N 2.81Å; G589-R593 WeakPolarHBondContact O-CB 3.31Å; G589-R593 PolarHBondContact O-N 2.65Å |
| 590 | L | 91.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 178.6 | -65.3 | 169.5 | 0 | 0 | 0 | 111.4 | I586 H592 R593 Y594 L602 I604 F639 V642 D643 I646 | I586-L590 HydrophobicContact CG2-CD1 3.97Å; I586-L590 VanDerWaalsContact O-CG 3.32Å; I586-L590 WeakPolarHBondContact O-CG 3.31Å; I586-L590 PolarHBondContact O-N 3.08Å; L590-H592 VanDerWaalsContact C-N 3.34Å; L590-H592 PolarHBondContact O-N 3.35Å; L590-R593 PolarHBondContact O-N 3.18Å; L590-Y594 HydrophobicContact CD2-CE2 4.16Å; L590-Y594 WeakPolarHBondContact O-CD2 3.39Å; L590-Y594 PolarHBondContact O-N 2.91Å; L590-L602 HydrophobicContact CB-CD2 4.25Å; L590-I604 HydrophobicContact CD1-CD1 4Å; L590-I604 HydrophobicContact CD1-CG1 4.05Å; L590-F639 HydrophobicContact CD2-CD2 4.14Å; L590-F639 HydrophobicContact CD2-CE2 3.74Å; L590-F639 HydrophobicContact CG-CD2 4.12Å; L590-F639 HydrophobicContact CG-CE2 3.9Å; L590-V642 HydrophobicContact CD1-CB 4.14Å; L590-V642 HydrophobicContact CD1-CG1 3.52Å; L590-V642 HydrophobicContact CD2-CG1 4.45Å; L590-D643 HydrophobicContact CD2-CB 3.97Å; L590-I646 HydrophobicContact CD1-CD1 4.15Å; L590-I646 HydrophobicContact CD2-CD1 4.17Å |
| 591 | R | 89 | Confident | 81.1 | Confident | 25 Ų | 25 | 49 Ų | 49 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.5 | -33.5 | 176.1 | -74.5 | 166.9 | 175.9 | -176.6 | -4.4 | 113 | V30 D405 L587 S588 G589 L602 | V30-R591 PolarHBondContact O-NH1 2.93Å; D405-R591 IonicContact OD1-CZ 3.52Å; D405-R591 IonicContact OD1-NH1 3.44Å; D405-R591 PolarHBondContact OD1-NH1 3.12Å; D405-R591 IonicContact OD1-NH2 3.13Å; D405-R591 PolarHBondContact OD1-NH2 3.36Å; D405-R591 IonicContact OD2-CZ 2.73Å; D405-R591 IonicContact OD2-NH1 3.7Å; D405-R591 PolarHBondContact OD2-NH1 2.77Å; D405-R591 IonicContact OD2-NH2 3.54Å; L587-R591 WeakPolarHBondContact O-CB 3.48Å; L587-R591 WeakPolarHBondContact O-CD 3.11Å; L587-R591 WeakPolarHBondContact O-CG 3.42Å; L587-R591 PolarHBondContact O-N 2.96Å; S588-R591 PolarHBondContact O-N 3.16Å; G589-R591 VanDerWaalsContact C-N 3.35Å; G589-R591 PolarHBondContact O-N 2.7Å; R591-L602 HydrophobicContact CG-CB 4.15Å; R591-L602 PolarHBondContact NE-O 3.47Å; R591-L602 PolarHBondContact NH2-O 3.48Å |
| 592 | H | 86.8 | Confident | 80.4 | Confident | 99 Ų | 99 | 49.6 Ų | 49.6 | 46% | 0.458 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -73 | -35 | 174.9 | -161.7 | 67.1 | 0 | 0 | 0 | 112.3 | S588 G589 L590 T595 | S588-H592 WeakPolarHBondContact O-CB 3.46Å; S588-H592 PolarHBondContact O-N 2.92Å; G589-H592 PolarHBondContact O-N 2.81Å; L590-H592 VanDerWaalsContact C-N 3.34Å; L590-H592 PolarHBondContact O-N 3.35Å; H592-T595 WeakPolarHBondContact O-CG2 3.47Å |
| 593 | R | 86 | Confident | 79.8 | Confident | 125 Ų | 125 | 53.8 Ų | 53.8 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -79 | -37.4 | -177.9 | -173.8 | 170.6 | -179 | 152.5 | -3 | 114.2 | G589 L590 D643 H647 | G589-R593 WeakPolarHBondContact O-CB 3.31Å; G589-R593 PolarHBondContact O-N 2.65Å; L590-R593 PolarHBondContact O-N 3.18Å; R593-D643 VanDerWaalsContact CD-OD1 3.26Å; R593-D643 WeakPolarHBondContact CD-OD1 3.28Å; R593-D643 IonicContact CZ-OD1 2.7Å; R593-D643 IonicContact CZ-OD2 2.76Å; R593-D643 VanDerWaalsContact CZ-OD2 3.23Å; R593-D643 IonicContact NE-OD1 3.12Å; R593-D643 PolarHBondContact NE-OD1 2.73Å; R593-D643 IonicContact NE-OD2 2.77Å; R593-D643 IonicContact NH1-OD1 2.85Å; R593-D643 IonicContact NH1-OD2 3.2Å; R593-D643 PolarHBondContact NH1-OD2 3.13Å; R593-D643 IonicContact NH2-OD2 2.74Å; R593-H647 PolarHBondContact NH2-CD2 3.1Å; R593-H647 VanDerWaalsContact NH2-CD2 3.28Å; R593-H647 PolarHBondContact NH2-NE2 3.37Å |
| 594 | Y | 82.5 | Confident | 79.4 | Confident | 17 Ų | 17 | 54 Ų | 54 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -108.3 | 32.6 | -173.7 | -63.1 | -74.7 | 0 | 0 | 0 | 113.2 | L590 C596 L602 D643 I646 H647 | L590-Y594 HydrophobicContact CD2-CE2 4.16Å; L590-Y594 WeakPolarHBondContact O-CD2 3.39Å; L590-Y594 PolarHBondContact O-N 2.91Å; Y594-C596 PolarHBondContact O-N 3.27Å; Y594-C596 PolarHBondContact O-SG 2.87Å; Y594-L602 HydrophobicContact CD2-CD2 4.47Å; Y594-D643 VanDerWaalsContact CE2-OD1 3.22Å; Y594-D643 WeakPolarHBondContact CE2-OD1 3.34Å; Y594-D643 VanDerWaalsContact CZ-OD1 3.31Å; Y594-D643 PolarHBondContact OH-O 3.03Å; Y594-D643 PolarHBondContact OH-OD1 3.1Å; Y594-I646 HydrophobicContact CD1-CG2 4.29Å; Y594-I646 HydrophobicContact CD2-CG2 3.93Å; Y594-I646 HydrophobicContact CE1-CG2 4.14Å; Y594-I646 HydrophobicContact CE2-CB 4.29Å; Y594-I646 HydrophobicContact CE2-CG2 3.79Å; Y594-I646 HydrophobicContact CG-CG2 4.22Å; Y594-H647 WeakPolarHBondContact OH-CA 3.25Å; Y594-H647 VanDerWaalsContact OH-CB 3.28Å; Y594-H647 WeakPolarHBondContact OH-CB 3.4Å; Y594-H647 PolarHBondContact OH-N 3.43Å |
| 595 | T | 64.7 | Low | 79.1 | Confident | 111 Ų | 111 | 54 Ų | 54 | 68% | 0.681 | 27% | 0.274 | S | S | * | . | trans | -26.2 | 94.8 | -173.3 | 47.5 | 0 | 0 | 0 | 0 | 115.8 | H592 | H592-T595 WeakPolarHBondContact O-CG2 3.47Š| ||
| 596 | C | 56.4 | Low | 78.9 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 38% | 0.378 | 28% | 0.275 | S | S | . | . | trans | -81.8 | 158.4 | 168 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | Y594 Q600 | Y594-C596 PolarHBondContact O-N 3.27Å; Y594-C596 PolarHBondContact O-SG 2.87Å; C596-Q600 WeakPolarHBondContact CB-O 3.46Å | ||
| 597 | S | 53.2 | Low | 78.7 | Confident | 72 Ų | 72 | 54.7 Ų | 54.7 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | trans | -59.1 | 144.4 | 172.1 | 50.9 | 0 | 0 | 0 | 0 | 111.7 | S599 Q600 | S597-S599 PolarHBondContact O-N 3.31Å; S597-Q600 CarbonylContact O-C 3.18Å; S597-Q600 PolarHBondContact O-N 3.32Å | ||
| 598 | E | 47.9 | Very low | 78.7 | Confident | 198 Ų | 198 | 54.6 Ų | 54.6 | 93% | 0.925 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -29.7 | -171.8 | -60.1 | -175.2 | 120.6 | 0 | 0 | 115 | Q600 | E598-Q600 VanDerWaalsContact C-N 3.3Å; E598-Q600 PolarHBondContact O-N 2.86Å |
| 599 | S | 49.8 | Very low | 78.8 | Confident | 107 Ų | 107 | 54.5 Ų | 54.5 | 75% | 0.748 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19.5 | 176.6 | 50.5 | 0 | 0 | 0 | 0 | 114.9 | S597 | S597-S599 PolarHBondContact O-N 3.31Š|
| 600 | Q | 60.4 | Low | 78.9 | Confident | 107 Ų | 107 | 57.3 Ų | 57.3 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -134.4 | 89.7 | 178.6 | -74.7 | -172.9 | -50.7 | 0 | 0 | 110.9 | C596 S597 E598 L602 | C596-Q600 WeakPolarHBondContact CB-O 3.46Å; S597-Q600 CarbonylContact O-C 3.18Å; S597-Q600 PolarHBondContact O-N 3.32Å; E598-Q600 VanDerWaalsContact C-N 3.3Å; E598-Q600 PolarHBondContact O-N 2.86Å; Q600-L602 PolarHBondContact O-N 3.1Å |
| 601 | R | 73.6 | Confident | 79 | Confident | 99 Ų | 99 | 57.6 Ų | 57.6 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 133.6 | 167.7 | -67.8 | -179.2 | 178.7 | -170.8 | -8.1 | 110.2 | V30 D405 K603 | V30-R601 HydrophobicContact CG1-CG 4.2Å; V30-R601 PolarHBondContact O-NH1 2.96Å; D405-R601 IonicContact OD2-NH1 3.59Å; R601-K603 PolarHBondContact O-N 2.9Å |
| 602 | L | 82.4 | Confident | 79.4 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 123.1 | 169.6 | -169.7 | 72.7 | 0 | 0 | 0 | 109.9 | L590 R591 Y594 Q600 I604 P695 | L590-L602 HydrophobicContact CB-CD2 4.25Å; R591-L602 HydrophobicContact CG-CB 4.15Å; R591-L602 PolarHBondContact NE-O 3.47Å; R591-L602 PolarHBondContact NH2-O 3.48Å; Y594-L602 HydrophobicContact CD2-CD2 4.47Å; Q600-L602 PolarHBondContact O-N 3.1Å; L602-I604 HydrophobicContact CD2-CD1 4.09Å; L602-I604 HydrophobicContact CG-CD1 4.2Å; L602-P695 HydrophobicContact CD1-CG 3.86Å; L602-P695 HydrophobicContact CG-CG 4.45Å |
| 603 | K | 84.3 | Confident | 79.9 | Confident | 89 Ų | 89 | 51.9 Ų | 51.9 | 39% | 0.387 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -100.7 | 143.6 | 171.9 | -77.4 | -166 | 170.3 | -169.8 | 0 | 110.2 | Y434 R601 | Y434-K603 PolarHBondContact O-NZ 2.67Å; R601-K603 PolarHBondContact O-N 2.9Å |
| 604 | I | 90.3 | Very high | 80.3 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | trans | -117.8 | 124.8 | 173.1 | -50.7 | -54.5 | 0 | 0 | 0 | 106.7 | L587 L590 L602 L608 I609 V642 I646 P695 | L587-I604 HydrophobicContact CD2-CB 3.92Å; L587-I604 HydrophobicContact CD2-CG1 3.58Å; L590-I604 HydrophobicContact CD1-CD1 4Å; L590-I604 HydrophobicContact CD1-CG1 4.05Å; L602-I604 HydrophobicContact CD2-CD1 4.09Å; L602-I604 HydrophobicContact CG-CD1 4.2Å; I604-L608 HydrophobicContact CG2-CB 4.35Å; I604-L608 HydrophobicContact CG2-CD2 4.08Å; I604-L608 HydrophobicContact CG2-CG 4.46Å; I604-I609 HydrophobicContact CB-CD1 4.48Å; I604-I609 HydrophobicContact CG2-CD1 3.75Å; I604-I609 HydrophobicContact CG2-CG1 3.94Å; I604-V642 HydrophobicContact CG2-CG1 4.38Å; I604-I646 HydrophobicContact CD1-CD1 3.51Å; I604-P695 HydrophobicContact CD1-CB 4.35Å; I604-P695 HydrophobicContact CD1-CG 4.2Å | ||
| 605 | P | 90.9 | Very high | 80.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -69 | 142.9 | -179.3 | 27.7 | -32.9 | 0 | 0 | 0 | 110.8 | S607 L608 I609 Y699 | P605-S607 PolarHBondContact O-N 3.36Å; P605-L608 HydrophobicContact CG-CB 4.02Å; P605-L608 WeakPolarHBondContact O-CB 2.93Å; P605-L608 PolarHBondContact O-N 3.28Å; P605-I609 PolarHBondContact O-N 2.85Å; P605-Y699 WeakPolarHBondContact CG-O 3.28Å | ||
| 606 | S | 92 | Very high | 82.4 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60 | -32.3 | -175.7 | -166.4 | 0 | 0 | 0 | 0 | 112.7 | L608 I609 Y610 | S606-L608 VanDerWaalsContact C-N 3.27Å; S606-L608 PolarHBondContact O-N 3.48Å; S606-I609 PolarHBondContact O-N 3.29Å; S606-Y610 PolarHBondContact O-N 3.39Å |
| 607 | S | 91.3 | Very high | 84.3 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.9 | -40.2 | 171.8 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | P605 R611 Y699 W701 | P605-S607 PolarHBondContact O-N 3.36Å; S607-R611 VanDerWaalsContact O-CB 3.31Å; S607-R611 WeakPolarHBondContact O-CB 3.48Å; S607-R611 PolarHBondContact O-N 3.03Å; S607-Y699 PolarHBondContact OG-O 3.32Å; S607-W701 VanDerWaalsContact CB-O 3.24Å; S607-W701 WeakPolarHBondContact CB-O 3.36Å; S607-W701 PolarHBondContact OG-O 3.33Å |
| 608 | L | 94.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -75.1 | -35.5 | -179.9 | -176.2 | 60.5 | 0 | 0 | 0 | 112 | I604 P605 S606 R611 C612 V642 L645 Y699 | I604-L608 HydrophobicContact CG2-CB 4.35Å; I604-L608 HydrophobicContact CG2-CD2 4.08Å; I604-L608 HydrophobicContact CG2-CG 4.46Å; P605-L608 HydrophobicContact CG-CB 4.02Å; P605-L608 WeakPolarHBondContact O-CB 2.93Å; P605-L608 PolarHBondContact O-N 3.28Å; S606-L608 VanDerWaalsContact C-N 3.27Å; S606-L608 PolarHBondContact O-N 3.48Å; L608-R611 PolarHBondContact O-N 2.98Å; L608-C612 VanDerWaalsContact O-CB 3.28Å; L608-C612 WeakPolarHBondContact O-CB 3.36Å; L608-C612 PolarHBondContact O-N 2.82Å; L608-V642 HydrophobicContact CD2-CG1 4.1Å; L608-L645 HydrophobicContact CD1-CD1 3.86Å; L608-Y699 HydrophobicContact CD2-CD2 3.57Å; L608-Y699 HydrophobicContact CD2-CE2 4.34Å; L608-Y699 HydrophobicContact CD2-CG 4.14Å |
| 609 | I | 95.6 | Very high | 88.4 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.1 | -42 | 173 | -62 | -60.5 | 0 | 0 | 0 | 110.7 | I437 I463 I583 I604 P605 S606 C612 L613 | I437-I609 HydrophobicContact CD1-CG1 3.83Å; I437-I609 HydrophobicContact CG1-CG1 4.23Å; I437-I609 HydrophobicContact CG2-CG2 4.46Å; I463-I609 HydrophobicContact CD1-CG2 3.93Å; I583-I609 HydrophobicContact CD1-CG2 3.85Å; I583-I609 HydrophobicContact CG1-CG2 4.1Å; I583-I609 HydrophobicContact CG2-CG2 4.12Å; I604-I609 HydrophobicContact CB-CD1 4.48Å; I604-I609 HydrophobicContact CG2-CD1 3.75Å; I604-I609 HydrophobicContact CG2-CG1 3.94Å; P605-I609 PolarHBondContact O-N 2.85Å; S606-I609 PolarHBondContact O-N 3.29Å; I609-C612 WeakPolarHBondContact O-CB 3.35Å; I609-C612 PolarHBondContact O-N 2.83Å; I609-L613 WeakPolarHBondContact O-CG 3.34Å; I609-L613 PolarHBondContact O-N 2.82Å |
| 610 | Y | 94.4 | Very high | 90.3 | Very high | 62 Ų | 62 | 32.8 Ų | 32.8 | 24% | 0.243 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -48 | 173.9 | -166.5 | -75 | 0 | 0 | 0 | 111.2 | I463 C547 S606 C612 L613 M614 Y630 | I463-Y610 HydrophobicContact CG1-CD2 4.11Å; C547-Y610 HydrophobicContact CB-CE2 3.84Å; C547-Y610 VanDerWaalsContact SG-CE2 3.58Å; S606-Y610 PolarHBondContact O-N 3.39Å; Y610-C612 VanDerWaalsContact C-N 3.27Å; Y610-C612 PolarHBondContact O-N 2.97Å; Y610-L613 PolarHBondContact O-N 2.7Å; Y610-M614 WeakPolarHBondContact O-CB 3.22Å; Y610-M614 PolarHBondContact O-N 3.16Å; Y610-Y630 HydrophobicContact CE1-CE2 4.08Å |
| 611 | R | 94.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -32.8 | 175.7 | -169.2 | 178.4 | -61.9 | 162.6 | 6.8 | 112.5 | S607 L608 N615 W701 M926 R928 | S607-R611 VanDerWaalsContact O-CB 3.31Å; S607-R611 WeakPolarHBondContact O-CB 3.48Å; S607-R611 PolarHBondContact O-N 3.03Å; L608-R611 PolarHBondContact O-N 2.98Å; R611-N615 PolarHBondContact O-N 3.29Å; R611-N615 PolarHBondContact O-ND2 2.99Å; R611-W701 VanDerWaalsContact NH1-CH2 3.27Å; R611-M926 PolarHBondContact NH1-SD 2.84Å; R611-R928 WeakPolarHBondContact CG-O 3.36Å |
| 612 | C | 96.4 | Very high | 92 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -57.1 | 173 | -178.2 | 0 | 0 | 0 | 0 | 111 | L608 I609 Y610 M614 N615 T616 A638 Y641 V642 | L608-C612 VanDerWaalsContact O-CB 3.28Å; L608-C612 WeakPolarHBondContact O-CB 3.36Å; L608-C612 PolarHBondContact O-N 2.82Å; I609-C612 WeakPolarHBondContact O-CB 3.35Å; I609-C612 PolarHBondContact O-N 2.83Å; Y610-C612 VanDerWaalsContact C-N 3.27Å; Y610-C612 PolarHBondContact O-N 2.97Å; C612-M614 VanDerWaalsContact C-N 3.26Å; C612-M614 PolarHBondContact O-N 3.3Å; C612-N615 CarbonylContact O-C 3.59Å; C612-N615 PolarHBondContact O-N 3.25Å; C612-T616 WeakPolarHBondContact O-CG2 3.08Å; C612-T616 PolarHBondContact O-N 3.3Å; C612-T616 PolarHBondContact O-OG1 3.49Å; C612-A638 WeakPolarHBondContact SG-CA 3.32Å; C612-A638 VanDerWaalsContact SG-CB 3.55Å; C612-A638 PolarHBondContact SG-O 3.47Å; C612-Y641 HydrophobicContact CB-CD1 3.77Å; C612-Y641 HydrophobicContact CB-CE1 4.09Å; C612-V642 HydrophobicContact CB-CG2 3.75Å |
| 613 | L | 96.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.8 | -44.5 | -179.9 | -66.3 | 174.9 | 0 | 0 | 0 | 111.4 | I463 V548 I609 Y610 N615 T616 C617 M633 | I463-L613 HydrophobicContact CD1-CD1 4.07Å; I463-L613 HydrophobicContact CG2-CD1 3.71Å; V548-L613 HydrophobicContact CB-CD1 4.38Å; V548-L613 HydrophobicContact CG1-CD1 4.21Å; V548-L613 HydrophobicContact CG2-CD2 4.42Å; I609-L613 WeakPolarHBondContact O-CG 3.34Å; I609-L613 PolarHBondContact O-N 2.82Å; Y610-L613 PolarHBondContact O-N 2.7Å; L613-N615 PolarHBondContact O-N 3.09Å; L613-N615 VanDerWaalsContact O-N 3.16Å; L613-T616 PolarHBondContact O-N 3.08Å; L613-C617 WeakPolarHBondContact O-CB 3.4Å; L613-C617 PolarHBondContact O-N 3.3Å; L613-C617 VanDerWaalsContact O-N 3.15Å; L613-C617 PolarHBondContact O-SG 3.46Å; L613-M633 HydrophobicContact CD2-CE 4.12Å; L613-M633 HydrophobicContact CD2-CG 4.05Å; L613-M633 HydrophobicContact CD2-SD 4.34Å |
| 614 | M | 94.1 | Very high | 92.4 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 5% | 0.054 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.3 | -31.3 | 175.1 | -177.2 | -173.1 | -165 | 0 | 0 | 114.7 | Y610 C612 Y630 R928 D931 | Y610-M614 WeakPolarHBondContact O-CB 3.22Å; Y610-M614 PolarHBondContact O-N 3.16Å; C612-M614 VanDerWaalsContact C-N 3.26Å; C612-M614 PolarHBondContact O-N 3.3Å; M614-Y630 HydrophobicContact CB-CD2 3.99Å; M614-Y630 HydrophobicContact CB-CE2 3.96Å; M614-Y630 HydrophobicContact CB-CG 4.4Å; M614-Y630 HydrophobicContact CE-CE1 4.37Å; M614-Y630 HydrophobicContact CG-CD1 4.23Å; M614-Y630 HydrophobicContact CG-CD2 4.23Å; M614-Y630 HydrophobicContact CG-CE1 3.92Å; M614-Y630 HydrophobicContact CG-CE2 3.94Å; M614-Y630 HydrophobicContact CG-CG 4.4Å; M614-R928 HydrophobicContact CE-CB 3.61Å; M614-R928 HydrophobicContact CG-CB 4.4Å; M614-R928 HydrophobicContact SD-CB 3.98Å; M614-D931 HydrophobicContact CE-CB 3.93Å; M614-D931 WeakPolarHBondContact CE-OD1 3.48Å; M614-D931 WeakPolarHBondContact CE-OD2 3.42Å |
| 615 | N | 94.7 | Very high | 92.4 | Very high | 53 Ų | 53 | 31.8 Ų | 31.8 | 28% | 0.283 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -107.7 | -10.3 | -176.6 | -71.9 | -84.5 | 0 | 0 | 0 | 114 | R611 C612 L613 Y641 R928 | R611-N615 PolarHBondContact O-N 3.29Å; R611-N615 PolarHBondContact O-ND2 2.99Å; C612-N615 CarbonylContact O-C 3.59Å; C612-N615 PolarHBondContact O-N 3.25Å; L613-N615 PolarHBondContact O-N 3.09Å; L613-N615 VanDerWaalsContact O-N 3.16Å; N615-Y641 HydrophobicContact CB-CE2 4.27Å; N615-R928 PolarHBondContact ND2-O 3.01Å; N615-R928 PolarHBondContact OD1-N 2.9Å |
| 616 | T | 97.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 8% | 0.08 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -120.4 | -12.3 | -173.5 | 63.5 | 0 | 0 | 0 | 0 | 116 | C612 L613 R637 Y641 | C612-T616 WeakPolarHBondContact O-CG2 3.08Å; C612-T616 PolarHBondContact O-N 3.3Å; C612-T616 PolarHBondContact O-OG1 3.49Å; L613-T616 PolarHBondContact O-N 3.08Å; T616-R637 HydrophobicContact CG2-CB 4.47Å; T616-Y641 HydrophobicContact CG2-CD1 4.48Å; T616-Y641 HydrophobicContact CG2-CD2 4.24Å; T616-Y641 HydrophobicContact CG2-CG 3.85Å |
| 617 | C | 96.5 | Very high | 92.4 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 14% | 0.142 | 16% | 0.162 | C | C | . | . | trans | -66.8 | 151.5 | 179.1 | -74.1 | 0 | 0 | 0 | 0 | 113.2 | L613 Y630 L632 | L613-C617 WeakPolarHBondContact O-CB 3.4Å; L613-C617 PolarHBondContact O-N 3.3Å; L613-C617 VanDerWaalsContact O-N 3.15Å; L613-C617 PolarHBondContact O-SG 3.46Å; C617-Y630 VanDerWaalsContact CB-O 3.25Å; C617-Y630 WeakPolarHBondContact CB-O 3.21Å; C617-L632 CarbonylContact C-O 3.55Å; C617-L632 WeakPolarHBondContact CA-O 3.5Å; C617-L632 WeakPolarHBondContact CB-O 3.43Å | ||
| 618 | K | 95.5 | Very high | 92.4 | Very high | 98 Ų | 98 | 32 Ų | 32 | 43% | 0.426 | 16% | 0.158 | S | C | . | . | B | Isolated β-bridge | trans | -94.4 | 99 | 179.1 | 179 | 179.4 | 178.5 | 178.8 | 0 | 109.7 | L632 Q634 | K618-L632 HydrophobicContact CB-CB 4.38Å; K618-L632 PolarHBondContact N-O 2.99Å; K618-L632 PolarHBondContact O-N 3.07Å; K618-Q634 HydrophobicContact CB-CG 3.81Å |
| 619 | S | 91.5 | Very high | 92.4 | Very high | 59 Ų | 59 | 31.9 Ų | 31.9 | 41% | 0.413 | 16% | 0.157 | S | C | . | . | trans | -67.8 | 148.7 | 173.4 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | Q628 | S619-Q628 PolarHBondContact OG-NE2 3.09Š| ||
| 620 | F | 90.6 | Very high | 92.3 | Very high | 29 Ų | 29 | 32.7 Ų | 32.7 | 13% | 0.127 | 16% | 0.16 | C | C | . | . | trans | -111.7 | 114.8 | 169.1 | -64.2 | -72.9 | 0 | 0 | 0 | 110.5 | L468 F470 P528 H622 L623 Q628 L632 | L468-F620 HydrophobicContact CD1-CD2 4.2Å; L468-F620 HydrophobicContact CD1-CE2 3.89Å; F470-F620 HydrophobicContact CE1-CZ 4.19Å; F470-F620 HydrophobicContact CZ-CZ 4.5Å; P528-F620 HydrophobicContact CB-CE1 4.46Å; P528-F620 HydrophobicContact CB-CE2 4.25Å; P528-F620 HydrophobicContact CB-CZ 4.09Å; P528-F620 HydrophobicContact CG-CE1 3.96Å; P528-F620 HydrophobicContact CG-CZ 3.86Å; F620-H622 PolarHBondContact O-N 3.26Å; F620-L623 HydrophobicContact CB-CD1 4.28Å; F620-L623 HydrophobicContact CB-CG 4.37Å; F620-L623 HydrophobicContact CD2-CD1 4.32Å; F620-L623 PolarHBondContact O-N 3.33Å; F620-L623 VanDerWaalsContact O-O 3.05Å; F620-Q628 PolarHBondContact O-NE2 3.44Å; F620-L632 HydrophobicContact CE2-CB 3.94Å; F620-L632 HydrophobicContact CE2-CD2 4.02Å; F620-L632 HydrophobicContact CZ-CB 4.48Å; F620-L632 HydrophobicContact CZ-CD2 3.85Å | ||
| 621 | E | 84 | Confident | 92.4 | Very high | 199 Ų | 199 | 29.8 Ų | 29.8 | 93% | 0.93 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -27.1 | -176 | -62.5 | 166.7 | 176.9 | 0 | 0 | 115.2 | L623 | E621-L623 VanDerWaalsContact C-N 3.35Š|
| 622 | H | 84.6 | Confident | 92.5 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 14% | 0.139 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -14.9 | -179.6 | 62.4 | -85.8 | 0 | 0 | 0 | 113.6 | P528 F620 K910 | P528-H622 PolarHBondContact O-NE2 3.12Å; F620-H622 PolarHBondContact O-N 3.26Å; H622-K910 PolarHBondContact O-NZ 3.46Å |
| 623 | L | 88 | Confident | 92.6 | Very high | 18 Ų | 18 | 29.6 Ų | 29.6 | 9% | 0.094 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -104.4 | 139.7 | 175.8 | -57.1 | 178.9 | 0 | 0 | 0 | 109.7 | L468 F620 E621 Q628 | L468-L623 HydrophobicContact CD2-CD1 3.79Å; F620-L623 HydrophobicContact CB-CD1 4.28Å; F620-L623 HydrophobicContact CB-CG 4.37Å; F620-L623 HydrophobicContact CD2-CD1 4.32Å; F620-L623 PolarHBondContact O-N 3.33Å; F620-L623 VanDerWaalsContact O-O 3.05Å; E621-L623 VanDerWaalsContact C-N 3.35Å; L623-Q628 HydrophobicContact CB-CG 4.5Å; L623-Q628 PolarHBondContact O-NE2 3.24Å |
| 624 | S | 88 | Confident | 92.6 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | trans | -80.5 | 160 | 175.5 | -170 | 0 | 0 | 0 | 0 | 110.9 | L626 D627 Q628 D774 | S624-L626 PolarHBondContact O-N 3.22Å; S624-D627 PolarHBondContact O-N 3.2Å; S624-Q628 PolarHBondContact O-N 3.2Å; S624-D774 PolarHBondContact OG-OD2 2.91Å | ||
| 625 | Y | 90.6 | Very high | 92.7 | Very high | 34 Ų | 34 | 29.2 Ų | 29.2 | 13% | 0.133 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -48.3 | -33.2 | 169.7 | -71.9 | -86.2 | 0 | 0 | 0 | 112.4 | D627 Q628 G629 V913 M915 | Y625-D627 VanDerWaalsContact C-N 3.27Å; Y625-D627 PolarHBondContact O-N 3.17Å; Y625-Q628 PolarHBondContact O-N 3.1Å; Y625-G629 VanDerWaalsContact CD1-O 3.29Å; Y625-G629 WeakPolarHBondContact CD1-O 3.48Å; Y625-G629 WeakPolarHBondContact O-CA 3.2Å; Y625-G629 PolarHBondContact O-N 2.96Å; Y625-V913 HydrophobicContact CD2-CG1 4.41Å; Y625-M915 HydrophobicContact CD1-CG 4.26Å; Y625-M915 HydrophobicContact CD2-CG 4.21Å; Y625-M915 HydrophobicContact CE1-CG 4.27Å; Y625-M915 HydrophobicContact CE2-CG 4.2Å; Y625-M915 HydrophobicContact CG-CG 4.24Å |
| 626 | L | 91.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.2 | -23.4 | 178.4 | -52 | -175.7 | 0 | 0 | 0 | 114.1 | L449 R536 G537 P538 L544 I546 S624 P911 V913 I935 | L449-L626 HydrophobicContact CD1-CD1 4.35Å; L449-L626 HydrophobicContact CD2-CD1 4.03Å; R536-L626 WeakPolarHBondContact CG-O 3.41Å; G537-L626 PolarHBondContact N-O 2.97Å; G537-L626 VanDerWaalsContact N-O 3.16Å; P538-L626 HydrophobicContact CB-CD2 4.43Å; L544-L626 HydrophobicContact CD1-CD2 3.79Å; I546-L626 WeakPolarHBondContact CD1-O 3.22Å; S624-L626 PolarHBondContact O-N 3.22Å; L626-P911 HydrophobicContact CD1-CG 3.9Å; L626-V913 HydrophobicContact CD1-CG2 3.79Å; L626-V913 HydrophobicContact CD2-CG1 4.49Å; L626-V913 HydrophobicContact CD2-CG2 4.35Å; L626-V913 HydrophobicContact CG-CG2 3.85Å; L626-I935 HydrophobicContact CD1-CG2 4.27Å; L626-I935 HydrophobicContact CD2-CG1 4.19Å |
| 627 | D | 90.2 | Very high | 92.7 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 10% | 0.096 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -97 | -20.6 | 179 | -58.3 | -78.5 | 0 | 0 | 0 | 112.8 | A530 R536 S624 Y625 R967 | A530-D627 HydrophobicContact CB-CB 4.18Å; R536-D627 WeakPolarHBondContact CG-OD1 3.41Å; R536-D627 IonicContact CZ-OD1 2.67Å; R536-D627 IonicContact NE-OD1 3.77Å; R536-D627 PolarHBondContact NE-OD1 3.48Å; R536-D627 IonicContact NH2-OD1 3.87Å; R536-D627 PolarHBondContact NH2-OD1 3.16Å; S624-D627 PolarHBondContact O-N 3.2Å; Y625-D627 VanDerWaalsContact C-N 3.27Å; Y625-D627 PolarHBondContact O-N 3.17Å; D627-R967 IonicContact OD1-NH2 3.81Å; D627-R967 PolarHBondContact OD1-NH2 3.39Å |
| 628 | Q | 92.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -134.7 | -3.9 | -172.4 | 76.1 | -176.3 | -42.9 | 0 | 0 | 117 | A549 S619 F620 L623 S624 Y625 G631 | A549-Q628 HydrophobicContact CB-CB 4.19Å; A549-Q628 WeakPolarHBondContact CB-O 3.43Å; A549-Q628 PolarHBondContact N-O 3.03Å; S619-Q628 PolarHBondContact OG-NE2 3.09Å; F620-Q628 PolarHBondContact O-NE2 3.44Å; L623-Q628 HydrophobicContact CB-CG 4.5Å; L623-Q628 PolarHBondContact O-NE2 3.24Å; S624-Q628 PolarHBondContact O-N 3.2Å; Y625-Q628 PolarHBondContact O-N 3.1Å; Q628-G631 PolarHBondContact O-N 3.31Å; Q628-G631 VanDerWaalsContact O-N 3.09Å |
| 629 | G | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -136.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y625 G631 | Y625-G629 VanDerWaalsContact CD1-O 3.29Å; Y625-G629 WeakPolarHBondContact CD1-O 3.48Å; Y625-G629 WeakPolarHBondContact O-CA 3.2Å; Y625-G629 PolarHBondContact O-N 2.96Å; G629-G631 PolarHBondContact O-N 3.05Å |
| 630 | Y | 94.2 | Very high | 93 | Very high | 20 Ų | 20 | 29.6 Ų | 29.6 | 8% | 0.078 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 3.2 | 172.2 | -54.9 | -64.4 | 0 | 0 | 0 | 113.7 | L544 C547 Y610 M614 C617 M915 D931 | L544-Y630 HydrophobicContact CD2-CE1 4.4Å; C547-Y630 WeakPolarHBondContact O-CD2 3.45Å; C547-Y630 PolarHBondContact O-N 3.3Å; Y610-Y630 HydrophobicContact CE1-CE2 4.08Å; M614-Y630 HydrophobicContact CB-CD2 3.99Å; M614-Y630 HydrophobicContact CB-CE2 3.96Å; M614-Y630 HydrophobicContact CB-CG 4.4Å; M614-Y630 HydrophobicContact CE-CE1 4.37Å; M614-Y630 HydrophobicContact CG-CD1 4.23Å; M614-Y630 HydrophobicContact CG-CD2 4.23Å; M614-Y630 HydrophobicContact CG-CE1 3.92Å; M614-Y630 HydrophobicContact CG-CE2 3.94Å; M614-Y630 HydrophobicContact CG-CG 4.4Å; C617-Y630 VanDerWaalsContact CB-O 3.25Å; C617-Y630 WeakPolarHBondContact CB-O 3.21Å; Y630-M915 HydrophobicContact CE1-CE 3.98Å; Y630-D931 WeakPolarHBondContact CE1-OD2 3.47Å |
| 631 | G | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | 104.7 | -168.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A549 Q628 G629 | A549-G631 PolarHBondContact N-O 3.37Å; Q628-G631 PolarHBondContact O-N 3.31Å; Q628-G631 VanDerWaalsContact O-N 3.09Å; G629-G631 PolarHBondContact O-N 3.05Å | ||
| 632 | L | 97.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -70.1 | 132.4 | -175.5 | 179.9 | 61.2 | 0 | 0 | 0 | 112.3 | Q13 I14 F470 A549 C617 K618 F620 | Q13-L632 VanDerWaalsContact O-CD2 3.24Å; Q13-L632 WeakPolarHBondContact O-CD2 3.43Å; I14-L632 HydrophobicContact CG2-CD1 4.04Å; F470-L632 HydrophobicContact CE1-CD2 3.93Å; F470-L632 HydrophobicContact CZ-CD1 3.9Å; F470-L632 HydrophobicContact CZ-CD2 3.64Å; F470-L632 HydrophobicContact CZ-CG 4.41Å; A549-L632 WeakPolarHBondContact O-CA 3.45Å; C617-L632 CarbonylContact C-O 3.55Å; C617-L632 WeakPolarHBondContact CA-O 3.5Å; C617-L632 WeakPolarHBondContact CB-O 3.43Å; K618-L632 HydrophobicContact CB-CB 4.38Å; K618-L632 PolarHBondContact N-O 2.99Å; K618-L632 PolarHBondContact O-N 3.07Å; F620-L632 HydrophobicContact CE2-CB 3.94Å; F620-L632 HydrophobicContact CE2-CD2 4.02Å; F620-L632 HydrophobicContact CZ-CB 4.48Å; F620-L632 HydrophobicContact CZ-CD2 3.85Å |
| 633 | M | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -58.3 | 140.3 | 174.2 | -171 | 176.2 | -176.5 | 0 | 0 | 112.1 | I14 V548 A549 V579 I583 I586 L613 V635 | I14-M633 WeakPolarHBondContact CA-O 3.31Å; I14-M633 HydrophobicContact CG2-CB 4.3Å; V548-M633 HydrophobicContact CG2-CB 3.85Å; A549-M633 PolarHBondContact O-N 3.45Å; A549-M633 VanDerWaalsContact O-N 3.08Å; V579-M633 HydrophobicContact CB-SD 4.21Å; V579-M633 HydrophobicContact CG1-SD 4.02Å; V579-M633 HydrophobicContact CG2-SD 4.15Å; I583-M633 HydrophobicContact CG1-CE 3.94Å; I586-M633 HydrophobicContact CD1-CE 3.82Å; L613-M633 HydrophobicContact CD2-CE 4.12Å; L613-M633 HydrophobicContact CD2-CG 4.05Å; L613-M633 HydrophobicContact CD2-SD 4.34Å; M633-V635 HydrophobicContact CE-CG2 4.11Å | ||
| 634 | Q | 97.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.028 | 12% | 0.115 | C | C | . | . | trans | -131.3 | 105 | 173.4 | -59.4 | -74.2 | -103.6 | 0 | 0 | 108.1 | Q13 N15 K618 R637 A638 | Q13-Q634 PolarHBondContact O-NE2 3.42Å; N15-Q634 VanDerWaalsContact ND2-CD 3.26Å; N15-Q634 PolarHBondContact ND2-OE1 3.27Å; K618-Q634 HydrophobicContact CB-CG 3.81Å; Q634-R637 HydrophobicContact CB-CB 4.16Å; Q634-R637 HydrophobicContact CB-CG 4.02Å; Q634-R637 PolarHBondContact O-N 3.16Å; Q634-A638 VanDerWaalsContact O-CB 3.28Å; Q634-A638 WeakPolarHBondContact O-CB 3.49Å; Q634-A638 PolarHBondContact O-N 3.45Å; Q634-A638 VanDerWaalsContact O-N 3.09Å | ||
| 635 | V | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.3 | -42.3 | -170.4 | 175.4 | 0 | 0 | 0 | 0 | 112 | I14 F19 L585 I586 M633 A638 F639 | I14-V635 HydrophobicContact CD1-CG2 4.33Å; I14-V635 WeakPolarHBondContact O-CG2 3.37Å; I14-V635 PolarHBondContact O-N 3.3Å; F19-V635 HydrophobicContact CB-CG1 3.96Å; F19-V635 HydrophobicContact CD1-CG1 4.2Å; F19-V635 HydrophobicContact CD2-CG1 3.98Å; F19-V635 HydrophobicContact CG-CG1 3.77Å; L585-V635 HydrophobicContact CB-CG1 4.05Å; L585-V635 HydrophobicContact CD1-CG1 3.99Å; I586-V635 HydrophobicContact CG1-CG1 4.19Å; M633-V635 HydrophobicContact CE-CG2 4.11Å; V635-A638 PolarHBondContact O-N 2.9Å; V635-F639 WeakPolarHBondContact O-CB 3.5Å; V635-F639 PolarHBondContact O-N 3.03Å |
| 636 | D | 95.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 23.8 Ų | 23.8 | 23% | 0.23 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -54.6 | -54.4 | 175.7 | 62.6 | -50.9 | 0 | 0 | 0 | 111.9 | N15 A638 F639 C640 | N15-D636 WeakPolarHBondContact CB-OD1 3.07Å; N15-D636 PolarHBondContact ND2-OD1 3.32Å; D636-A638 VanDerWaalsContact C-N 3.34Å; D636-A638 PolarHBondContact O-N 3.23Å; D636-F639 PolarHBondContact O-N 3.04Å; D636-C640 PolarHBondContact O-N 2.86Å; D636-C640 PolarHBondContact O-SG 3.33Å |
| 637 | R | 96.3 | Very high | 94.5 | Very high | 134 Ų | 134 | 26.8 Ų | 26.8 | 51% | 0.506 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -65.9 | -40.7 | -177.5 | -57.4 | -173.5 | 178.1 | -163.1 | -7.1 | 111.5 | T616 Q634 C640 Y641 | T616-R637 HydrophobicContact CG2-CB 4.47Å; Q634-R637 HydrophobicContact CB-CB 4.16Å; Q634-R637 HydrophobicContact CB-CG 4.02Å; Q634-R637 PolarHBondContact O-N 3.16Å; R637-C640 PolarHBondContact O-N 3.12Å; R637-Y641 WeakPolarHBondContact O-CB 3.46Å; R637-Y641 PolarHBondContact O-N 3.48Å |
| 638 | A | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.4 | -42.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I586 C612 Q634 V635 D636 Y641 V642 | I586-A638 HydrophobicContact CD1-CB 3.46Å; I586-A638 VanDerWaalsContact CD1-CB 3.46Å; I586-A638 HydrophobicContact CG1-CB 4.47Å; C612-A638 WeakPolarHBondContact SG-CA 3.32Å; C612-A638 VanDerWaalsContact SG-CB 3.55Å; C612-A638 PolarHBondContact SG-O 3.47Å; Q634-A638 VanDerWaalsContact O-CB 3.28Å; Q634-A638 WeakPolarHBondContact O-CB 3.49Å; Q634-A638 PolarHBondContact O-N 3.45Å; Q634-A638 VanDerWaalsContact O-N 3.09Å; V635-A638 PolarHBondContact O-N 2.9Å; D636-A638 VanDerWaalsContact C-N 3.34Å; D636-A638 PolarHBondContact O-N 3.23Å; A638-Y641 PolarHBondContact O-N 3.27Å; A638-V642 PolarHBondContact O-N 2.73Å |
| 639 | F | 96.2 | Very high | 93.8 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 4% | 0.039 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.7 | -52.9 | 171.6 | 174.7 | -112.1 | 0 | 0 | 0 | 111.8 | F19 H23 I586 L590 V635 D636 Y641 V642 D643 | F19-F639 HydrophobicContact CD2-CB 4.32Å; F19-F639 HydrophobicContact CE2-CB 3.7Å; F19-F639 AromaticContact CE2-CD1 3.74Å; F19-F639 HydrophobicContact CE2-CD1 3.74Å; F19-F639 HydrophobicContact CE2-CD2 4.2Å; F19-F639 HydrophobicContact CE2-CE1 4.41Å; F19-F639 AromaticContact CE2-CG 3.61Å; F19-F639 HydrophobicContact CE2-CG 3.61Å; F19-F639 HydrophobicContact CZ-CG 4.37Å; H23-F639 AromaticContact CD2-CE1 3.87Å; H23-F639 AromaticContact NE2-CE1 3.57Å; I586-F639 HydrophobicContact CG1-CB 4.19Å; I586-F639 HydrophobicContact CG2-CD2 4.43Å; L590-F639 HydrophobicContact CD2-CD2 4.14Å; L590-F639 HydrophobicContact CD2-CE2 3.74Å; L590-F639 HydrophobicContact CG-CD2 4.12Å; L590-F639 HydrophobicContact CG-CE2 3.9Å; V635-F639 WeakPolarHBondContact O-CB 3.5Å; V635-F639 PolarHBondContact O-N 3.03Å; D636-F639 PolarHBondContact O-N 3.04Å; F639-Y641 PolarHBondContact O-N 2.98Å; F639-Y641 VanDerWaalsContact O-N 3.16Å; F639-V642 PolarHBondContact O-N 2.93Å; F639-D643 HydrophobicContact CE2-CB 4.41Å; F639-D643 HydrophobicContact CZ-CB 4.39Å; F639-D643 WeakPolarHBondContact O-CB 3.35Å; F639-D643 PolarHBondContact O-N 3.23Å |
| 640 | C | 95.6 | Very high | 93.1 | Very high | 66 Ų | 66 | 35.7 Ų | 35.7 | 45% | 0.446 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.1 | -27.8 | -178.8 | -66.7 | 0 | 0 | 0 | 0 | 114 | D636 R637 R644 | D636-C640 PolarHBondContact O-N 2.86Å; D636-C640 PolarHBondContact O-SG 3.33Å; R637-C640 PolarHBondContact O-N 3.12Å; C640-R644 WeakPolarHBondContact O-CB 3.48Å; C640-R644 PolarHBondContact O-N 2.9Å |
| 641 | Y | 96.4 | Very high | 92.5 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 9% | 0.094 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.4 | -50.9 | 175.7 | 176.5 | -92.8 | 0 | 0 | 0 | 112.2 | C612 N615 T616 R637 A638 F639 R644 L645 M926 | C612-Y641 HydrophobicContact CB-CD1 3.77Å; C612-Y641 HydrophobicContact CB-CE1 4.09Å; N615-Y641 HydrophobicContact CB-CE2 4.27Å; T616-Y641 HydrophobicContact CG2-CD1 4.48Å; T616-Y641 HydrophobicContact CG2-CD2 4.24Å; T616-Y641 HydrophobicContact CG2-CG 3.85Å; R637-Y641 WeakPolarHBondContact O-CB 3.46Å; R637-Y641 PolarHBondContact O-N 3.48Å; A638-Y641 PolarHBondContact O-N 3.27Å; F639-Y641 PolarHBondContact O-N 2.98Å; F639-Y641 VanDerWaalsContact O-N 3.16Å; Y641-R644 PolarHBondContact O-N 3.23Å; Y641-L645 HydrophobicContact CD1-CD1 4.32Å; Y641-L645 HydrophobicContact CE1-CD1 3.69Å; Y641-L645 PolarHBondContact O-N 3.3Å; Y641-M926 VanDerWaalsContact OH-C 3.28Å; Y641-M926 WeakPolarHBondContact OH-CA 3.5Å; Y641-M926 PolarHBondContact OH-O 2.89Å |
| 642 | V | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.5 | -38.8 | -179.9 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | L590 I604 L608 C612 A638 F639 R644 L645 I646 | L590-V642 HydrophobicContact CD1-CB 4.14Å; L590-V642 HydrophobicContact CD1-CG1 3.52Å; L590-V642 HydrophobicContact CD2-CG1 4.45Å; I604-V642 HydrophobicContact CG2-CG1 4.38Å; L608-V642 HydrophobicContact CD2-CG1 4.1Å; C612-V642 HydrophobicContact CB-CG2 3.75Å; A638-V642 PolarHBondContact O-N 2.73Å; F639-V642 PolarHBondContact O-N 2.93Å; V642-R644 PolarHBondContact O-N 3.15Å; V642-L645 PolarHBondContact O-N 3.32Å; V642-I646 HydrophobicContact CG1-CD1 3.71Å; V642-I646 HydrophobicContact CG1-CG1 4.39Å; V642-I646 WeakPolarHBondContact O-CG1 3.33Å; V642-I646 PolarHBondContact O-N 3.29Å; V642-I646 VanDerWaalsContact O-N 3.1Å |
| 643 | D | 93.5 | Very high | 90.2 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 8% | 0.08 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.9 | -47.4 | 175.8 | -178.1 | 40.1 | 0 | 0 | 0 | 111.5 | L590 R593 Y594 F639 L645 I646 H647 | L590-D643 HydrophobicContact CD2-CB 3.97Å; R593-D643 VanDerWaalsContact CD-OD1 3.26Å; R593-D643 WeakPolarHBondContact CD-OD1 3.28Å; R593-D643 IonicContact CZ-OD1 2.7Å; R593-D643 IonicContact CZ-OD2 2.76Å; R593-D643 VanDerWaalsContact CZ-OD2 3.23Å; R593-D643 IonicContact NE-OD1 3.12Å; R593-D643 PolarHBondContact NE-OD1 2.73Å; R593-D643 IonicContact NE-OD2 2.77Å; R593-D643 IonicContact NH1-OD1 2.85Å; R593-D643 IonicContact NH1-OD2 3.2Å; R593-D643 PolarHBondContact NH1-OD2 3.13Å; R593-D643 IonicContact NH2-OD2 2.74Å; Y594-D643 VanDerWaalsContact CE2-OD1 3.22Å; Y594-D643 WeakPolarHBondContact CE2-OD1 3.34Å; Y594-D643 VanDerWaalsContact CZ-OD1 3.31Å; Y594-D643 PolarHBondContact OH-O 3.03Å; Y594-D643 PolarHBondContact OH-OD1 3.1Å; F639-D643 HydrophobicContact CE2-CB 4.41Å; F639-D643 HydrophobicContact CZ-CB 4.39Å; F639-D643 WeakPolarHBondContact O-CB 3.35Å; F639-D643 PolarHBondContact O-N 3.23Å; D643-L645 VanDerWaalsContact C-N 3.35Å; D643-L645 PolarHBondContact O-N 2.94Å; D643-I646 PolarHBondContact O-N 2.75Å; D643-H647 WeakPolarHBondContact O-CB 3.49Å; D643-H647 PolarHBondContact O-N 2.91Å |
| 644 | R | 93.7 | Very high | 89 | Confident | 153 Ų | 153 | 51.2 Ų | 51.2 | 58% | 0.577 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -57.1 | -44.3 | 179 | -172.5 | -173.7 | -55 | 172.1 | 3.7 | 113 | C640 Y641 V642 K648 | C640-R644 WeakPolarHBondContact O-CB 3.48Å; C640-R644 PolarHBondContact O-N 2.9Å; Y641-R644 PolarHBondContact O-N 3.23Å; V642-R644 PolarHBondContact O-N 3.15Å; R644-K648 PolarHBondContact O-N 3.12Å |
| 645 | L | 92.3 | Very high | 87.5 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.4 | -43.9 | 180 | -68.2 | 172.3 | 0 | 0 | 0 | 111.3 | L608 Y641 V642 D643 K648 L649 Y699 E925 M926 | L608-L645 HydrophobicContact CD1-CD1 3.86Å; Y641-L645 HydrophobicContact CD1-CD1 4.32Å; Y641-L645 HydrophobicContact CE1-CD1 3.69Å; Y641-L645 PolarHBondContact O-N 3.3Å; V642-L645 PolarHBondContact O-N 3.32Å; D643-L645 VanDerWaalsContact C-N 3.35Å; D643-L645 PolarHBondContact O-N 2.94Å; L645-K648 PolarHBondContact O-N 2.95Å; L645-L649 PolarHBondContact O-N 2.95Å; L645-L649 VanDerWaalsContact O-N 3.15Å; L645-Y699 HydrophobicContact CB-CE2 3.97Å; L645-Y699 PolarHBondContact O-OH 3.19Å; L645-E925 HydrophobicContact CD2-CB 4.32Å; L645-M926 HydrophobicContact CD2-CG 4.43Å |
| 646 | I | 89.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 178.1 | -65.1 | 172.6 | 0 | 0 | 0 | 111.2 | L590 Y594 I604 V642 D643 K648 L649 Y650 P695 | L590-I646 HydrophobicContact CD1-CD1 4.15Å; L590-I646 HydrophobicContact CD2-CD1 4.17Å; Y594-I646 HydrophobicContact CD1-CG2 4.29Å; Y594-I646 HydrophobicContact CD2-CG2 3.93Å; Y594-I646 HydrophobicContact CE1-CG2 4.14Å; Y594-I646 HydrophobicContact CE2-CB 4.29Å; Y594-I646 HydrophobicContact CE2-CG2 3.79Å; Y594-I646 HydrophobicContact CG-CG2 4.22Å; I604-I646 HydrophobicContact CD1-CD1 3.51Å; V642-I646 HydrophobicContact CG1-CD1 3.71Å; V642-I646 HydrophobicContact CG1-CG1 4.39Å; V642-I646 WeakPolarHBondContact O-CG1 3.33Å; V642-I646 PolarHBondContact O-N 3.29Å; V642-I646 VanDerWaalsContact O-N 3.1Å; D643-I646 PolarHBondContact O-N 2.75Å; I646-K648 PolarHBondContact O-N 2.95Å; I646-L649 PolarHBondContact O-N 3.34Å; I646-Y650 WeakPolarHBondContact O-CB 3.35Å; I646-Y650 PolarHBondContact O-N 3.16Å; I646-P695 HydrophobicContact CD1-CB 4.49Å; I646-P695 HydrophobicContact CD1-CG 4.08Å; I646-P695 HydrophobicContact CG1-CB 4.46Å; I646-P695 HydrophobicContact CG1-CG 4.14Å |
| 647 | H | 88.7 | Confident | 84.3 | Confident | 64 Ų | 64 | 61 Ų | 61 | 30% | 0.296 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.8 | -36.2 | 176.2 | -154.1 | -37.4 | 0 | 0 | 0 | 112.3 | R593 Y594 D643 Y650 E651 | R593-H647 PolarHBondContact NH2-CD2 3.1Å; R593-H647 VanDerWaalsContact NH2-CD2 3.28Å; R593-H647 PolarHBondContact NH2-NE2 3.37Å; Y594-H647 WeakPolarHBondContact OH-CA 3.25Å; Y594-H647 VanDerWaalsContact OH-CB 3.28Å; Y594-H647 WeakPolarHBondContact OH-CB 3.4Å; Y594-H647 PolarHBondContact OH-N 3.43Å; D643-H647 WeakPolarHBondContact O-CB 3.49Å; D643-H647 PolarHBondContact O-N 2.91Å; H647-Y650 WeakPolarHBondContact O-CB 3.49Å; H647-Y650 PolarHBondContact O-N 3.44Å; H647-E651 IonicContact CE1-OE1 3.58Å; H647-E651 PolarHBondContact O-N 3.33Å |
| 648 | K | 85.7 | Confident | 82.6 | Confident | 111 Ų | 111 | 58.7 Ų | 58.7 | 48% | 0.483 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -73.9 | -36.3 | 178.5 | -168.6 | 171.4 | 178.3 | -178.7 | 0 | 112.4 | R644 L645 I646 R652 E925 | R644-K648 PolarHBondContact O-N 3.12Å; L645-K648 PolarHBondContact O-N 2.95Å; I646-K648 PolarHBondContact O-N 2.95Å; K648-R652 VanDerWaalsContact O-CB 3.32Å; K648-R652 WeakPolarHBondContact O-CB 3.45Å; K648-R652 PolarHBondContact O-N 3.25Å; K648-R652 VanDerWaalsContact O-N 3.16Å; K648-E925 WeakPolarHBondContact CD-OE2 3.35Å; K648-E925 WeakPolarHBondContact CE-OE2 3.46Å; K648-E925 IonicContact NZ-OE1 2.71Å; K648-E925 PolarHBondContact NZ-OE1 2.87Å; K648-E925 IonicContact NZ-OE2 2.69Å; K648-E925 PolarHBondContact NZ-OE2 3.32Å |
| 649 | L | 81.6 | Confident | 80.7 | Confident | 23 Ų | 23 | 63.7 Ų | 63.7 | 12% | 0.12 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 167.7 | -68.9 | -174.5 | 0 | 0 | 0 | 111.5 | L645 I646 R652 N653 P693 M698 Y699 | L645-L649 PolarHBondContact O-N 2.95Å; L645-L649 VanDerWaalsContact O-N 3.15Å; I646-L649 PolarHBondContact O-N 3.34Å; L649-R652 PolarHBondContact O-N 3.48Å; L649-N653 WeakPolarHBondContact O-CB 3.37Å; L649-N653 PolarHBondContact O-N 3.23Å; L649-P693 HydrophobicContact CB-CG 3.95Å; L649-M698 HydrophobicContact CD1-CB 3.72Å; L649-M698 HydrophobicContact CD1-CG 4.08Å; L649-M698 HydrophobicContact CD2-CB 4.16Å; L649-M698 HydrophobicContact CD2-CG 3.93Å; L649-Y699 HydrophobicContact CD1-CD2 3.94Å; L649-Y699 HydrophobicContact CD1-CE1 4.4Å; L649-Y699 HydrophobicContact CD1-CE2 3.37Å; L649-Y699 HydrophobicContact CG-CE2 3.9Å; L649-Y699 WeakPolarHBondContact CG-OH 3.48Å |
| 650 | Y | 79.3 | Confident | 78.5 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 28% | 0.282 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.2 | -53.1 | -179.8 | 177.3 | -95.4 | 0 | 0 | 0 | 112.1 | I646 H647 R652 N653 K654 P691 V692 | I646-Y650 WeakPolarHBondContact O-CB 3.35Å; I646-Y650 PolarHBondContact O-N 3.16Å; H647-Y650 WeakPolarHBondContact O-CB 3.49Å; H647-Y650 PolarHBondContact O-N 3.44Å; Y650-R652 PolarHBondContact O-N 3.42Å; Y650-N653 PolarHBondContact O-N 2.96Å; Y650-K654 HydrophobicContact CD1-CD 4.49Å; Y650-K654 HydrophobicContact CE1-CD 3.83Å; Y650-K654 WeakPolarHBondContact O-CB 3.43Å; Y650-K654 PolarHBondContact O-N 3.17Å; Y650-P691 WeakPolarHBondContact CD2-O 3.48Å; Y650-P691 WeakPolarHBondContact CE2-O 3.28Å; Y650-V692 HydrophobicContact CD2-CB 4.39Å; Y650-V692 HydrophobicContact CD2-CG1 4.3Å; Y650-V692 HydrophobicContact CD2-CG2 3.97Å; Y650-V692 HydrophobicContact CE2-CG2 4.19Å |
| 651 | E | 81.6 | Confident | 76.4 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 178.9 | -69.7 | -60.5 | 144.8 | 0 | 0 | 111.9 | H647 N653 K654 E655 | H647-E651 IonicContact CE1-OE1 3.58Å; H647-E651 PolarHBondContact O-N 3.33Å; E651-N653 VanDerWaalsContact C-N 3.3Å; E651-N653 PolarHBondContact O-N 3.26Å; E651-K654 WeakPolarHBondContact O-CB 3.29Å; E651-K654 PolarHBondContact O-N 2.82Å; E651-K654 VanDerWaalsContact O-N 3.12Å; E651-K654 IonicContact OE1-NZ 2.83Å; E651-K654 PolarHBondContact OE1-NZ 3.04Å; E651-K654 IonicContact OE2-NZ 3.42Å; E651-K654 PolarHBondContact OE2-NZ 2.9Å; E651-E655 WeakPolarHBondContact O-CG 3.32Å; E651-E655 PolarHBondContact O-N 3.37Å |
| 652 | R | 73.5 | Confident | 74.2 | Confident | 160 Ų | 160 | 70.3 Ų | 70.3 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.2 | -37 | 176 | -172 | 174.7 | -177.4 | 169.6 | 1.5 | 112.8 | K648 L649 Y650 I656 | K648-R652 VanDerWaalsContact O-CB 3.32Å; K648-R652 WeakPolarHBondContact O-CB 3.45Å; K648-R652 PolarHBondContact O-N 3.25Å; K648-R652 VanDerWaalsContact O-N 3.16Å; L649-R652 PolarHBondContact O-N 3.48Å; Y650-R652 PolarHBondContact O-N 3.42Å; R652-I656 WeakPolarHBondContact O-CD1 3.22Å; R652-I656 VanDerWaalsContact O-CG1 3.31Å; R652-I656 WeakPolarHBondContact O-CG1 3.01Å; R652-I656 PolarHBondContact O-N 2.91Å |
| 653 | N | 71.1 | Confident | 71.7 | Confident | 42 Ų | 42 | 77.6 Ų | 77.6 | 23% | 0.225 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -72.7 | -33.9 | 176.2 | -131.5 | 47.9 | 0 | 0 | 0 | 112.1 | L649 Y650 E651 I656 T657 P693 | L649-N653 WeakPolarHBondContact O-CB 3.37Å; L649-N653 PolarHBondContact O-N 3.23Å; Y650-N653 PolarHBondContact O-N 2.96Å; E651-N653 VanDerWaalsContact C-N 3.3Å; E651-N653 PolarHBondContact O-N 3.26Å; N653-I656 PolarHBondContact O-N 3.34Å; N653-T657 WeakPolarHBondContact O-CB 3.33Å; N653-T657 PolarHBondContact O-N 3.2Å; N653-T657 PolarHBondContact O-OG1 3.15Å; N653-P693 HydrophobicContact CB-CG 3.96Å |
| 654 | K | 71.7 | Confident | 69.3 | Low | 83 Ų | 83 | 85 Ų | 85 | 36% | 0.361 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69 | -40.5 | 176.3 | 177.9 | 174.2 | 157.7 | -133.5 | 0 | 111.7 | Y650 E651 T657 N658 | Y650-K654 HydrophobicContact CD1-CD 4.49Å; Y650-K654 HydrophobicContact CE1-CD 3.83Å; Y650-K654 WeakPolarHBondContact O-CB 3.43Å; Y650-K654 PolarHBondContact O-N 3.17Å; E651-K654 WeakPolarHBondContact O-CB 3.29Å; E651-K654 PolarHBondContact O-N 2.82Å; E651-K654 VanDerWaalsContact O-N 3.12Å; E651-K654 IonicContact OE1-NZ 2.83Å; E651-K654 PolarHBondContact OE1-NZ 3.04Å; E651-K654 IonicContact OE2-NZ 3.42Å; E651-K654 PolarHBondContact OE2-NZ 2.9Å; K654-T657 PolarHBondContact O-N 3.04Å; K654-N658 WeakPolarHBondContact O-CB 3.47Å; K654-N658 PolarHBondContact O-N 3.32Å; K654-N658 PolarHBondContact O-OD1 3.09Å |
| 655 | E | 65.5 | Low | 66.9 | Low | 123 Ų | 123 | 84.3 Ų | 84.3 | 58% | 0.575 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58.2 | -48.7 | 169.6 | -72.5 | 178.2 | 151.4 | 0 | 0 | 112.1 | E651 T657 N658 L659 | E651-E655 WeakPolarHBondContact O-CG 3.32Å; E651-E655 PolarHBondContact O-N 3.37Å; E655-T657 VanDerWaalsContact C-N 3.31Å; E655-T657 PolarHBondContact O-N 2.72Å; E655-N658 PolarHBondContact O-N 3.07Å; E655-L659 PolarHBondContact O-N 3.25Å |
| 656 | I | 64.4 | Low | 64.5 | Low | 86 Ų | 86 | 89.2 Ų | 89.2 | 44% | 0.441 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 176.8 | -67.8 | 165.2 | 0 | 0 | 0 | 110.9 | R652 N653 L659 C660 | R652-I656 WeakPolarHBondContact O-CD1 3.22Å; R652-I656 VanDerWaalsContact O-CG1 3.31Å; R652-I656 WeakPolarHBondContact O-CG1 3.01Å; R652-I656 PolarHBondContact O-N 2.91Å; N653-I656 PolarHBondContact O-N 3.34Å; I656-L659 PolarHBondContact O-N 3.47Å; I656-C660 PolarHBondContact O-N 2.89Å; I656-C660 PolarHBondContact O-SG 2.87Å |
| 657 | T | 61.6 | Low | 61.9 | Low | 47 Ų | 47 | 96.2 Ų | 96.2 | 29% | 0.288 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 178.5 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | N653 K654 E655 C660 T661 L689 | N653-T657 WeakPolarHBondContact O-CB 3.33Å; N653-T657 PolarHBondContact O-N 3.2Å; N653-T657 PolarHBondContact O-OG1 3.15Å; K654-T657 PolarHBondContact O-N 3.04Å; E655-T657 VanDerWaalsContact C-N 3.31Å; E655-T657 PolarHBondContact O-N 2.72Å; T657-C660 WeakPolarHBondContact O-CB 3.33Å; T657-C660 PolarHBondContact O-N 2.9Å; T657-T661 PolarHBondContact O-N 2.86Å; T657-T661 PolarHBondContact O-OG1 2.99Å; T657-L689 HydrophobicContact CG2-CD1 4.41Å |
| 658 | N | 59.9 | Low | 59.1 | Low | 85 Ų | 85 | 96.6 Ų | 96.6 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 177.5 | -70.1 | -7.7 | 0 | 0 | 0 | 111.9 | K654 E655 C660 T661 D662 | K654-N658 WeakPolarHBondContact O-CB 3.47Å; K654-N658 PolarHBondContact O-N 3.32Å; K654-N658 PolarHBondContact O-OD1 3.09Å; E655-N658 PolarHBondContact O-N 3.07Å; N658-C660 VanDerWaalsContact C-N 3.29Å; N658-C660 PolarHBondContact O-N 3.01Å; N658-T661 WeakPolarHBondContact CA-OG1 3.45Å; N658-T661 PolarHBondContact O-N 2.85Å; N658-T661 PolarHBondContact O-OG1 3.37Å; N658-D662 PolarHBondContact O-N 3.15Å |
| 659 | L | 56.8 | Low | 56.5 | Low | 104 Ų | 104 | 97.8 Ų | 97.8 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -55.7 | -45.7 | 171.7 | -103 | 72.6 | 0 | 0 | 0 | 111.1 | E655 I656 T661 D662 F663 | E655-L659 PolarHBondContact O-N 3.25Å; I656-L659 PolarHBondContact O-N 3.47Å; L659-T661 PolarHBondContact O-N 3.19Å; L659-D662 PolarHBondContact O-N 3.25Å; L659-F663 WeakPolarHBondContact O-CD2 3.18Å; L659-F663 PolarHBondContact O-N 3.42Å; L659-F663 VanDerWaalsContact O-N 3.09Å |
| 660 | C | 49.8 | Very low | 54.1 | Low | 68 Ų | 68 | 103.3 Ų | 103.3 | 46% | 0.459 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.9 | -21.4 | 178 | -70.7 | 0 | 0 | 0 | 0 | 114.2 | I656 T657 N658 | I656-C660 PolarHBondContact O-N 2.89Å; I656-C660 PolarHBondContact O-SG 2.87Å; T657-C660 WeakPolarHBondContact O-CB 3.33Å; T657-C660 PolarHBondContact O-N 2.9Å; N658-C660 VanDerWaalsContact C-N 3.29Å; N658-C660 PolarHBondContact O-N 3.01Å |
| 661 | T | 52.9 | Low | 51.8 | Low | 70 Ų | 70 | 108.4 Ų | 108.4 | 43% | 0.429 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -82.3 | -39.3 | 169.6 | 45 | 0 | 0 | 0 | 0 | 112.7 | T657 N658 L659 F663 K664 | T657-T661 PolarHBondContact O-N 2.86Å; T657-T661 PolarHBondContact O-OG1 2.99Å; N658-T661 WeakPolarHBondContact CA-OG1 3.45Å; N658-T661 PolarHBondContact O-N 2.85Å; N658-T661 PolarHBondContact O-OG1 3.37Å; L659-T661 PolarHBondContact O-N 3.19Å; T661-F663 VanDerWaalsContact C-N 3.35Å; T661-F663 PolarHBondContact O-N 3.26Å; T661-K664 WeakPolarHBondContact O-CB 3.4Å; T661-K664 PolarHBondContact O-N 2.87Å |
| 662 | D | 48.7 | Very low | 49.4 | Very low | 101 Ų | 101 | 112 Ų | 112 | 54% | 0.54 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.9 | -40.2 | 178.8 | -71.8 | -26.8 | 0 | 0 | 0 | 111.7 | N658 L659 K664 N665 | N658-D662 PolarHBondContact O-N 3.15Å; L659-D662 PolarHBondContact O-N 3.25Å; D662-K664 PolarHBondContact O-N 3.44Å; D662-K664 VanDerWaalsContact O-N 3.1Å; D662-N665 PolarHBondContact O-N 3.39Å |
| 663 | F | 44.2 | Very low | 47.3 | Very low | 153 Ų | 153 | 111.2 Ų | 111.2 | 67% | 0.671 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -61 | -18.5 | 174.2 | -81.7 | -64.9 | 0 | 0 | 0 | 114.5 | L659 T661 | L659-F663 WeakPolarHBondContact O-CD2 3.18Å; L659-F663 PolarHBondContact O-N 3.42Å; L659-F663 VanDerWaalsContact O-N 3.09Å; T661-F663 VanDerWaalsContact C-N 3.35Å; T661-F663 PolarHBondContact O-N 3.26Å |
| 664 | K | 42.9 | Very low | 45.5 | Very low | 170 Ų | 170 | 116.6 Ų | 116.6 | 74% | 0.739 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -80.4 | -19.9 | 174.8 | -71.5 | -178 | 176 | -179.6 | 0 | 113.5 | T661 D662 V666 | T661-K664 WeakPolarHBondContact O-CB 3.4Å; T661-K664 PolarHBondContact O-N 2.87Å; D662-K664 PolarHBondContact O-N 3.44Å; D662-K664 VanDerWaalsContact O-N 3.1Å; K664-V666 VanDerWaalsContact C-N 3.35Å |
| 665 | N | 43.5 | Very low | 43.5 | Very low | 139 Ų | 139 | 121 Ų | 121 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -88.6 | 2.4 | -177.9 | -68.3 | -25 | 0 | 0 | 0 | 113.7 | D662 | D662-N665 PolarHBondContact O-N 3.39Š|
| 666 | V | 40.4 | Very low | 41.9 | Very low | 107 Ų | 107 | 120 Ų | 120 | 65% | 0.648 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -96.3 | -20.8 | -174 | -178.8 | 0 | 0 | 0 | 0 | 113.3 | K664 G668 | K664-V666 VanDerWaalsContact C-N 3.35Å; V666-G668 PolarHBondContact O-N 2.89Å |
| 667 | N | 35.4 | Very low | 40.4 | Very low | 148 Ų | 148 | 121.1 Ų | 121.1 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | trans | -92.1 | 73.4 | -177.5 | -74.5 | -8.3 | 0 | 0 | 0 | 112.4 | ||||
| 668 | G | 31.1 | Very low | 39.5 | Very low | 72 Ų | 72 | 124.9 Ų | 124.9 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | trans | -79.8 | 111.8 | 168 | 0 | 0 | 0 | 0 | 0 | 112 | V666 | V666-G668 PolarHBondContact O-N 2.89Š| ||
| 669 | V | 31.3 | Very low | 37.9 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | trans | -141 | 121.1 | 163.2 | -178.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 670 | D | 30.1 | Very low | 36.5 | Very low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | -84 | 164.3 | -177.2 | -66.3 | -63.6 | 0 | 0 | 0 | 113.6 | ||||
| 671 | H | 32.1 | Very low | 35.4 | Very low | 180 Ų | 180 | 130 Ų | 130 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | trans | 73.9 | 144.6 | -176.2 | -45.3 | -65.8 | 0 | 0 | 0 | 114.1 | ||||
| 672 | V | 30.7 | Very low | 34.3 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | cis | -138.1 | 148.3 | 25.9 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 673 | D | 30.4 | Very low | 33.3 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -86.3 | 168.3 | 173.1 | -74 | -61.6 | 0 | 0 | 0 | 114 | ||||
| 674 | D | 31.7 | Very low | 32.5 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 65.7 | 109.6 | 171.2 | -71.4 | -29.2 | 0 | 0 | 0 | 119.3 | ||||
| 675 | I | 31.2 | Very low | 31.8 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 91% | 0.908 | 78% | 0.781 | S | S | * | * | -169.2 | 148.7 | 105.8 | -94.9 | 160 | 0 | 0 | 0 | 110.1 | |||||
| 676 | S | 31.4 | Very low | 31.3 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -102.8 | 137.3 | -163.5 | 60.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 677 | S | 32 | Very low | 31 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 79 | 161.5 | 146.9 | 93.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 678 | P | 43.5 | Very low | 30.8 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | -135.8 | 157.2 | -109 | 34.1 | -13.4 | 0 | 0 | 0 | 116.7 | |||||
| 679 | S | 26.2 | Very low | 31.2 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -140.7 | 126.5 | 162.1 | 63 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 680 | S | 27.3 | Very low | 31.9 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -34.1 | 157.9 | 172.3 | 54.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 681 | N | 27.3 | Very low | 33 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | 86.9 | 42.1 | 156.5 | -55.4 | -14.4 | 0 | 0 | 0 | 119.1 | ||||
| 682 | V | 28.2 | Very low | 34.3 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | trans | -131.1 | 101.4 | 138.8 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | N684 | V682-N684 PolarHBondContact O-N 3.4Å; V682-N684 VanDerWaalsContact O-N 3.13Å | ||
| 683 | E | 27.8 | Very low | 36 | Very low | 192 Ų | 192 | 118.9 Ų | 118.9 | 90% | 0.897 | 68% | 0.684 | S | S | * | * | trans | -69.9 | 105.5 | 160.8 | -78.3 | -160.2 | 139.6 | 0 | 0 | 107.7 | S685 | E683-S685 PolarHBondContact O-N 2.94Å; E683-S685 VanDerWaalsContact O-N 3.1Å | ||
| 684 | N | 28.5 | Very low | 38.2 | Very low | 141 Ų | 141 | 114.9 Ų | 114.9 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | trans | -57.3 | 118.8 | 172.5 | -87.7 | -36.3 | 0 | 0 | 0 | 109 | V682 S686 | V682-N684 PolarHBondContact O-N 3.4Å; V682-N684 VanDerWaalsContact O-N 3.13Å; N684-S686 PolarHBondContact O-N 3.42Å | ||
| 685 | S | 28.5 | Very low | 40.8 | Very low | 108 Ų | 108 | 107.6 Ų | 107.6 | 76% | 0.755 | 62% | 0.623 | S | S | * | * | trans | -70.4 | 69.3 | 178 | 45.8 | 0 | 0 | 0 | 0 | 111.1 | E683 I687 | E683-S685 PolarHBondContact O-N 2.94Å; E683-S685 VanDerWaalsContact O-N 3.1Å; S685-I687 WeakPolarHBondContact O-CG1 3.22Å; S685-I687 PolarHBondContact O-N 2.69Å | ||
| 686 | S | 32.6 | Very low | 43.3 | Very low | 92 Ų | 92 | 99.2 Ų | 99.2 | 64% | 0.643 | 58% | 0.581 | S | S | * | * | trans | -55.3 | 103.7 | 161.1 | 55.3 | 0 | 0 | 0 | 0 | 107.8 | N684 K688 | N684-S686 PolarHBondContact O-N 3.42Å; S686-K688 PolarHBondContact O-N 3.45Å | ||
| 687 | I | 33.7 | Very low | 45.8 | Very low | 152 Ų | 152 | 97.4 Ų | 97.4 | 78% | 0.779 | 56% | 0.562 | S | S | * | * | trans | -68.1 | 87.7 | -178 | -55.6 | 179.2 | 0 | 0 | 0 | 107.9 | S685 L689 | S685-I687 WeakPolarHBondContact O-CG1 3.22Å; S685-I687 PolarHBondContact O-N 2.69Å; I687-L689 PolarHBondContact O-N 2.94Å | ||
| 688 | K | 32.4 | Very low | 48.3 | Very low | 184 Ų | 184 | 95.3 Ų | 95.3 | 80% | 0.8 | 54% | 0.541 | S | S | * | . | trans | -69.7 | 86.9 | 166 | -71.8 | -178.2 | 179.1 | 176 | 0 | 107.4 | S686 L690 | S686-K688 PolarHBondContact O-N 3.45Å; K688-L690 PolarHBondContact O-N 3Å | ||
| 689 | L | 38.2 | Very low | 50.6 | Low | 89 Ų | 89 | 90 Ų | 90 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | trans | -48 | 128 | 161.8 | -80.9 | 158.3 | 0 | 0 | 0 | 107.9 | T657 I687 | T657-L689 HydrophobicContact CG2-CD1 4.41Å; I687-L689 PolarHBondContact O-N 2.94Å | ||
| 690 | L | 45.7 | Very low | 53.7 | Low | 94 Ų | 94 | 84.6 Ų | 84.6 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | trans | -59.8 | 140.4 | 179.2 | -78 | 165.2 | 0 | 0 | 0 | 109.3 | K688 V692 | K688-L690 PolarHBondContact O-N 3Å; L690-V692 PolarHBondContact O-N 3.46Å | ||
| 691 | P | 54.4 | Low | 56.7 | Low | 105 Ų | 105 | 80.1 Ų | 80.1 | 68% | 0.682 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -56.4 | -27.5 | -176.6 | -26.9 | 34.8 | 0 | 0 | 0 | 113.7 | Y650 | Y650-P691 WeakPolarHBondContact CD2-O 3.48Å; Y650-P691 WeakPolarHBondContact CE2-O 3.28Å |
| 692 | V | 58.2 | Low | 59.8 | Low | 15 Ų | 15 | 74.1 Ų | 74.1 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -128.6 | 131.8 | 175.8 | -165.6 | 0 | 0 | 0 | 0 | 107.6 | Y650 L690 | Y650-V692 HydrophobicContact CD2-CB 4.39Å; Y650-V692 HydrophobicContact CD2-CG1 4.3Å; Y650-V692 HydrophobicContact CD2-CG2 3.97Å; Y650-V692 HydrophobicContact CE2-CG2 4.19Å; L690-V692 PolarHBondContact O-N 3.46Å |
| 693 | P | 67.3 | Low | 62.9 | Low | 25 Ų | 25 | 68.8 Ų | 68.8 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | trans | -66.5 | 132.3 | 166.9 | 29.7 | -34 | 0 | 0 | 0 | 109.2 | L649 N653 P695 | L649-P693 HydrophobicContact CB-CG 3.95Å; N653-P693 HydrophobicContact CB-CG 3.96Å; P693-P695 WeakPolarHBondContact O-CD 3.28Å | ||
| 694 | D | 77.2 | Confident | 65.9 | Low | 61 Ų | 61 | 62.3 Ų | 62.3 | 33% | 0.326 | 34% | 0.337 | S | S | . | . | trans | -58.9 | 120 | -177.2 | -176 | -6.9 | 0 | 0 | 0 | 111 | C696 I697 | D694-C696 PolarHBondContact O-N 3.42Å; D694-C696 VanDerWaalsContact O-N 3.12Å; D694-C696 WeakPolarHBondContact OD1-CB 3.26Å; D694-C696 PolarHBondContact OD1-N 3.35Å; D694-I697 HydrophobicContact CB-CB 4.48Å; D694-I697 HydrophobicContact CB-CD1 3.97Å; D694-I697 HydrophobicContact CB-CG1 4.04Å; D694-I697 WeakPolarHBondContact O-CB 3.26Å; D694-I697 PolarHBondContact O-N 3.46Å | ||
| 695 | P | 84.9 | Confident | 69 | Low | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.1 | -26.9 | 177.6 | -25.7 | 35.6 | 0 | 0 | 0 | 113.4 | L602 I604 I646 P693 I697 M698 Y699 | L602-P695 HydrophobicContact CD1-CG 3.86Å; L602-P695 HydrophobicContact CG-CG 4.45Å; I604-P695 HydrophobicContact CD1-CB 4.35Å; I604-P695 HydrophobicContact CD1-CG 4.2Å; I646-P695 HydrophobicContact CD1-CB 4.49Å; I646-P695 HydrophobicContact CD1-CG 4.08Å; I646-P695 HydrophobicContact CG1-CB 4.46Å; I646-P695 HydrophobicContact CG1-CG 4.14Å; P693-P695 WeakPolarHBondContact O-CD 3.28Å; P695-I697 VanDerWaalsContact C-N 3.26Å; P695-I697 PolarHBondContact O-N 3Å; P695-M698 PolarHBondContact O-N 3.13Å; P695-Y699 WeakPolarHBondContact O-CB 3.29Å; P695-Y699 PolarHBondContact O-N 3.35Å |
| 696 | C | 84.5 | Confident | 72 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64 | -27.2 | 172.9 | -82.7 | 0 | 0 | 0 | 0 | 113.1 | D694 G700 Y754 | D694-C696 PolarHBondContact O-N 3.42Å; D694-C696 VanDerWaalsContact O-N 3.12Å; D694-C696 WeakPolarHBondContact OD1-CB 3.26Å; D694-C696 PolarHBondContact OD1-N 3.35Å; C696-G700 VanDerWaalsContact O-CA 3.31Å; C696-G700 WeakPolarHBondContact O-CA 3.25Å; C696-G700 PolarHBondContact O-N 2.76Å; C696-Y754 HydrophobicContact CB-CD2 3.8Å; C696-Y754 HydrophobicContact CB-CE2 3.48Å; C696-Y754 VanDerWaalsContact CB-CE2 3.48Å; C696-Y754 WeakPolarHBondContact O-CD2 3.26Å; C696-Y754 WeakPolarHBondContact O-CE2 3.4Å |
| 697 | I | 83.7 | Confident | 74.8 | Confident | 61 Ų | 61 | 48.6 Ų | 48.6 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -75.9 | -38.3 | 179 | -70.4 | 177.3 | 0 | 0 | 0 | 111.9 | D694 P695 P756 I759 | D694-I697 HydrophobicContact CB-CB 4.48Å; D694-I697 HydrophobicContact CB-CD1 3.97Å; D694-I697 HydrophobicContact CB-CG1 4.04Å; D694-I697 WeakPolarHBondContact O-CB 3.26Å; D694-I697 PolarHBondContact O-N 3.46Å; P695-I697 VanDerWaalsContact C-N 3.26Å; P695-I697 PolarHBondContact O-N 3Å; I697-P756 HydrophobicContact CG2-CG 4.26Å; I697-I759 HydrophobicContact CG2-CD1 3.42Å; I697-I759 VanDerWaalsContact CG2-CD1 3.42Å |
| 698 | M | 85.4 | Confident | 77.5 | Confident | 67 Ų | 67 | 44 Ų | 44 | 33% | 0.33 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -93.3 | -32.2 | -178 | -80.9 | -72.4 | 104.6 | 0 | 0 | 114.3 | L649 P695 W701 I759 | L649-M698 HydrophobicContact CD1-CB 3.72Å; L649-M698 HydrophobicContact CD1-CG 4.08Å; L649-M698 HydrophobicContact CD2-CB 4.16Å; L649-M698 HydrophobicContact CD2-CG 3.93Å; P695-M698 PolarHBondContact O-N 3.13Å; M698-W701 VanDerWaalsContact O-CD1 3.25Å; M698-W701 PolarHBondContact O-NE1 3.02Å; M698-I759 HydrophobicContact CE-CB 4.41Å; M698-I759 HydrophobicContact CE-CD1 3.44Å; M698-I759 VanDerWaalsContact CE-CD1 3.44Å; M698-I759 HydrophobicContact CE-CG1 3.73Å; M698-I759 HydrophobicContact CE-CG2 3.77Å |
| 699 | Y | 90.4 | Very high | 80.1 | Confident | 15 Ų | 15 | 36.9 Ų | 36.9 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -116.4 | 5.6 | -173.5 | -56.1 | -39.1 | 0 | 0 | 0 | 113.7 | P605 S607 L608 L645 L649 P695 W701 M926 | P605-Y699 WeakPolarHBondContact CG-O 3.28Å; S607-Y699 PolarHBondContact OG-O 3.32Å; L608-Y699 HydrophobicContact CD2-CD2 3.57Å; L608-Y699 HydrophobicContact CD2-CE2 4.34Å; L608-Y699 HydrophobicContact CD2-CG 4.14Å; L645-Y699 HydrophobicContact CB-CE2 3.97Å; L645-Y699 PolarHBondContact O-OH 3.19Å; L649-Y699 HydrophobicContact CD1-CD2 3.94Å; L649-Y699 HydrophobicContact CD1-CE1 4.4Å; L649-Y699 HydrophobicContact CD1-CE2 3.37Å; L649-Y699 HydrophobicContact CG-CE2 3.9Å; L649-Y699 WeakPolarHBondContact CG-OH 3.48Å; P695-Y699 WeakPolarHBondContact O-CB 3.29Å; P695-Y699 PolarHBondContact O-N 3.35Å; Y699-W701 PolarHBondContact O-N 2.81Å; Y699-M926 HydrophobicContact CD1-CE 3.55Å; Y699-M926 HydrophobicContact CE1-CE 3.21Å |
| 700 | G | 90.7 | Very high | 82 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -72.2 | 50.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C696 D752 V755 | C696-G700 VanDerWaalsContact O-CA 3.31Å; C696-G700 WeakPolarHBondContact O-CA 3.25Å; C696-G700 PolarHBondContact O-N 2.76Å; G700-D752 WeakPolarHBondContact CA-OD2 3.28Å; G700-D752 WeakPolarHBondContact O-CB 3.18Å; G700-D752 PolarHBondContact O-N 2.87Å; G700-V755 WeakPolarHBondContact O-CG2 3.21Å | ||
| 701 | W | 92 | Very high | 83.2 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.011 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 156.7 | 179.6 | 58.4 | -89.8 | 0 | 0 | 0 | 111.6 | S607 R611 M698 Y699 I703 I749 E750 F751 M763 L765 M926 L929 | S607-W701 VanDerWaalsContact CB-O 3.24Å; S607-W701 WeakPolarHBondContact CB-O 3.36Å; S607-W701 PolarHBondContact OG-O 3.33Å; R611-W701 VanDerWaalsContact NH1-CH2 3.27Å; M698-W701 VanDerWaalsContact O-CD1 3.25Å; M698-W701 PolarHBondContact O-NE1 3.02Å; Y699-W701 PolarHBondContact O-N 2.81Å; W701-I703 HydrophobicContact CZ3-CG1 4.2Å; W701-I749 HydrophobicContact CB-CG2 4.23Å; W701-I749 HydrophobicContact CE3-CG2 4.24Å; W701-E750 CarbonylContact C-O 3.57Å; W701-E750 WeakPolarHBondContact CA-O 3.39Å; W701-E750 WeakPolarHBondContact CB-O 3.49Å; W701-F751 HydrophobicContact CB-CD1 3.75Å; W701-F751 HydrophobicContact CB-CE1 4.18Å; W701-F751 HydrophobicContact CB-CG 4.38Å; W701-F751 HydrophobicContact CG-CD1 4.49Å; W701-M763 HydrophobicContact CD2-CE 4.18Å; W701-M763 HydrophobicContact CD2-SD 4.04Å; W701-M763 HydrophobicContact CE3-SD 4.45Å; W701-M763 HydrophobicContact CG-CE 4.21Å; W701-M763 HydrophobicContact CG-SD 4.22Å; W701-M763 HydrophobicContact CZ2-CE 4.25Å; W701-L765 HydrophobicContact CE3-CD1 4.47Å; W701-L765 HydrophobicContact CH2-CD1 3.71Å; W701-L765 HydrophobicContact CH2-CD2 4.32Å; W701-L765 HydrophobicContact CZ3-CD1 3.64Å; W701-M926 HydrophobicContact CH2-SD 4.02Å; W701-M926 HydrophobicContact CZ2-CE 3.99Å; W701-M926 HydrophobicContact CZ2-SD 3.83Å; W701-L929 HydrophobicContact CH2-CD1 4.22Å; W701-L929 HydrophobicContact CH2-CD2 4.27Å |
| 702 | H | 91.8 | Very high | 84.2 | Confident | 27 Ų | 27 | 30.6 Ų | 30.6 | 13% | 0.125 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 159.5 | 170.5 | 69.5 | -75.4 | 0 | 0 | 0 | 110.5 | H432 Q460 E750 | H432-H702 AromaticContact CE1-CE1 3.33Å; H432-H702 PolarHBondContact CE1-CE1 3.04Å; H432-H702 AromaticContact CE1-ND1 3.39Å; H432-H702 PolarHBondContact CE1-ND1 2.71Å; H432-H702 AromaticContact ND1-CE1 3.97Å; H432-H702 AromaticContact ND1-ND1 3.95Å; H432-H702 AromaticContact NE2-CE1 3.69Å; Q460-H702 PolarHBondContact NE2-NE2 3.25Å; H702-E750 IonicContact CE1-OE2 2.71Å; H702-E750 PolarHBondContact CE1-OE2 2.75Å; H702-E750 PolarHBondContact N-O 3.01Å; H702-E750 IonicContact NE2-OE2 3.78Å; H702-E750 PolarHBondContact NE2-OE2 2.94Å; H702-E750 PolarHBondContact O-N 2.9Å |
| 703 | I | 92.5 | Very high | 84.7 | Confident | 11 Ų | 11 | 33.9 Ų | 33.9 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 112.7 | 172.9 | -53.8 | 177.6 | 0 | 0 | 0 | 107 | W701 L705 M747 N748 L765 L767 L929 A930 | W701-I703 HydrophobicContact CZ3-CG1 4.2Å; I703-L705 HydrophobicContact CG2-CD2 3.61Å; I703-L705 HydrophobicContact CG2-CG 4.23Å; I703-M747 HydrophobicContact CG2-CG 3.59Å; I703-M747 HydrophobicContact CG2-SD 4.39Å; I703-N748 CarbonylContact C-O 3.47Å; I703-N748 WeakPolarHBondContact CA-O 3.08Å; I703-L765 HydrophobicContact CD1-CD1 4.34Å; I703-L767 HydrophobicContact CD1-CD1 3.91Å; I703-L767 HydrophobicContact CD1-CD2 4.41Å; I703-L929 HydrophobicContact CD1-CB 3.95Å; I703-L929 HydrophobicContact CD1-CD1 4.11Å; I703-A930 HydrophobicContact CB-CB 4.12Å |
| 704 | R | 91.7 | Very high | 84.4 | Confident | 57 Ų | 57 | 40.6 Ų | 40.6 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 128.3 | 166.6 | -180 | -179.7 | -64.4 | -132.3 | 7 | 108.2 | Q460 T706 N748 E750 | Q460-R704 VanDerWaalsContact OE1-CZ 3.28Å; R704-T706 HydrophobicContact CG-CG2 4.32Å; R704-N748 PolarHBondContact N-O 3.37Å; R704-N748 PolarHBondContact O-N 3.17Å; R704-E750 HydrophobicContact CB-CG 4.15Å; R704-E750 IonicContact CZ-OE1 2.73Å; R704-E750 VanDerWaalsContact CZ-OE1 3.29Å; R704-E750 IonicContact CZ-OE2 3.64Å; R704-E750 IonicContact NE-OE1 3.95Å; R704-E750 PolarHBondContact NE-OE1 2.85Å; R704-E750 IonicContact NE-OE2 3.32Å; R704-E750 PolarHBondContact NE-OE2 3.38Å; R704-E750 VanDerWaalsContact NH2-CD 3.34Å; R704-E750 IonicContact NH2-OE1 3.51Å; R704-E750 PolarHBondContact NH2-OE1 2.94Å; R704-E750 VanDerWaalsContact NH2-OE1 3.12Å; R704-E750 IonicContact NH2-OE2 3.4Å; R704-E750 PolarHBondContact NH2-OE2 3.44Å |
| 705 | L | 92.1 | Very high | 84.3 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.3 | 172.2 | -55.8 | -179.2 | 0 | 0 | 0 | 108.5 | I703 M747 F918 A930 I932 | I703-L705 HydrophobicContact CG2-CD2 3.61Å; I703-L705 HydrophobicContact CG2-CG 4.23Å; L705-M747 HydrophobicContact CD2-CB 3.83Å; L705-M747 HydrophobicContact CD2-CE 3.47Å; L705-M747 VanDerWaalsContact CD2-CE 3.47Å; L705-M747 HydrophobicContact CD2-CG 3.55Å; L705-M747 HydrophobicContact CD2-SD 4.26Å; L705-F918 HydrophobicContact CD1-CD2 3.94Å; L705-F918 HydrophobicContact CD1-CE2 3.78Å; L705-A930 HydrophobicContact CD1-CB 3.76Å; L705-A930 HydrophobicContact CG-CB 4.33Å; L705-I932 HydrophobicContact CB-CD1 4.39Å; L705-I932 HydrophobicContact CB-CG1 4.23Å; L705-I932 HydrophobicContact CD1-CD1 3.98Å; L705-I932 HydrophobicContact CD1-CG1 3.55Å; L705-I932 HydrophobicContact CG-CG1 4.47Å |
| 706 | T | 92.4 | Very high | 84.4 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 22% | 0.221 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.7 | 167.3 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | R704 N716 V745 S746 | R704-T706 HydrophobicContact CG-CG2 4.32Å; T706-N716 CarbonylContact C-O 3.57Å; T706-N716 VanDerWaalsContact CA-O 3.22Å; T706-N716 WeakPolarHBondContact CA-O 3.45Å; T706-V745 CarbonylContact O-C 3.49Å; T706-V745 WeakPolarHBondContact O-CA 3.18Å; T706-S746 PolarHBondContact N-O 3.47Å; T706-S746 PolarHBondContact O-N 2.84Å |
| 707 | V | 92.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.7 | -175.3 | -167.4 | 0 | 0 | 0 | 0 | 109.5 | N716 I719 Y743 T744 V745 | V707-N716 PolarHBondContact N-O 2.7Å; V707-N716 WeakPolarHBondContact O-CB 3.33Å; V707-I719 HydrophobicContact CG1-CD1 4.02Å; V707-I719 HydrophobicContact CG1-CG1 3.82Å; V707-Y743 HydrophobicContact CG1-CD1 3.98Å; V707-Y743 HydrophobicContact CG1-CG 4.36Å; V707-T744 WeakPolarHBondContact CA-O 3.45Å; V707-V745 HydrophobicContact CG1-CG2 4.43Å; V707-V745 HydrophobicContact CG2-CG2 4.34Å |
| 708 | S | 90.2 | Very high | 85.2 | Confident | 56 Ų | 56 | 42.2 Ų | 42.2 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148 | 172.1 | 60.6 | 0 | 0 | 0 | 0 | 110.2 | Y743 T744 | S708-Y743 CarbonylContact O-C 3.45Å; S708-Y743 VanDerWaalsContact O-CA 3.28Å; S708-Y743 WeakPolarHBondContact O-CA 3.48Å; S708-T744 PolarHBondContact N-O 2.79Å; S708-T744 PolarHBondContact O-N 3.19Å; S708-T744 PolarHBondContact OG-O 3Å |
| 709 | G | 86.2 | Confident | 85.4 | Confident | 34 Ų | 34 | 39 Ų | 39 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 149.3 | -169 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G711 C712 | G709-G711 PolarHBondContact O-N 3.33Å; G709-C712 PolarHBondContact O-N 2.7Å; G709-C712 VanDerWaalsContact O-N 3.08Å |
| 710 | P | 79.2 | Confident | 85.2 | Confident | 61 Ų | 61 | 39.8 Ų | 39.8 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 118.4 | -177.8 | -26 | 34.9 | 0 | 0 | 0 | 113 | C712 L741 R742 Y743 | P710-C712 VanDerWaalsContact C-N 3.33Å; P710-L741 HydrophobicContact CB-CD2 4.22Å; P710-L741 HydrophobicContact CG-CD2 4.05Å; P710-R742 WeakPolarHBondContact CD-O 3.45Å; P710-Y743 VanDerWaalsContact O-CE1 3.26Å; P710-Y743 WeakPolarHBondContact O-CE1 3.47Å; P710-Y743 PolarHBondContact O-OH 3.37Å |
| 711 | G | 70.2 | Confident | 84.8 | Confident | 64 Ų | 64 | 40.3 Ų | 40.3 | 66% | 0.66 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -4.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G709 | G709-G711 PolarHBondContact O-N 3.33Š|
| 712 | C | 74.6 | Confident | 83.9 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 20% | 0.203 | 24% | 0.24 | C | C | . | . | trans | -82 | 145.8 | 173.5 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | G709 P710 N716 | G709-C712 PolarHBondContact O-N 2.7Å; G709-C712 VanDerWaalsContact O-N 3.08Å; P710-C712 VanDerWaalsContact C-N 3.33Å; C712-N716 HydrophobicContact CB-CB 4.05Å | ||
| 713 | T | 68.6 | Low | 82.4 | Confident | 84 Ų | 84 | 42.7 Ų | 42.7 | 52% | 0.515 | 25% | 0.246 | S | C | . | . | trans | -82 | -180 | 161.4 | 74.8 | 0 | 0 | 0 | 0 | 110.4 | Q715 N716 | T713-Q715 PolarHBondContact O-N 2.68Å; T713-N716 WeakPolarHBondContact CA-OD1 2.96Å; T713-N716 WeakPolarHBondContact CB-OD1 3.44Å; T713-N716 PolarHBondContact N-OD1 2.92Å; T713-N716 PolarHBondContact OG1-OD1 3.22Å | ||
| 714 | L | 62.5 | Low | 80.4 | Confident | 166 Ų | 166 | 45.8 Ų | 45.8 | 87% | 0.869 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.9 | -167.9 | -141.2 | 80.7 | 0 | 0 | 0 | 115.4 | ||
| 715 | Q | 75.1 | Confident | 78.6 | Confident | 115 Ų | 115 | 44 Ų | 44 | 54% | 0.537 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.8 | 42.9 | -179.2 | -62.9 | -169.6 | -4.8 | 0 | 0 | 113 | T713 | T713-Q715 PolarHBondContact O-N 2.68Š|
| 716 | N | 87.3 | Confident | 76.5 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -56.5 | 143.7 | 176 | -90.3 | 46.3 | 0 | 0 | 0 | 111.8 | D541 T706 V707 C712 T713 G718 | D541-N716 VanDerWaalsContact C-ND2 3.34Å; D541-N716 CarbonylContact O-C 2.82Å; D541-N716 WeakPolarHBondContact O-CA 3.36Å; D541-N716 VanDerWaalsContact O-CB 3.26Å; D541-N716 WeakPolarHBondContact O-CB 3.45Å; D541-N716 VanDerWaalsContact O-CG 3.26Å; D541-N716 PolarHBondContact O-ND2 3.21Å; D541-N716 VanDerWaalsContact O-ND2 3.16Å; T706-N716 CarbonylContact C-O 3.57Å; T706-N716 VanDerWaalsContact CA-O 3.22Å; T706-N716 WeakPolarHBondContact CA-O 3.45Å; V707-N716 PolarHBondContact N-O 2.7Å; V707-N716 WeakPolarHBondContact O-CB 3.33Å; C712-N716 HydrophobicContact CB-CB 4.05Å; T713-N716 WeakPolarHBondContact CA-OD1 2.96Å; T713-N716 WeakPolarHBondContact CB-OD1 3.44Å; T713-N716 PolarHBondContact N-OD1 2.92Å; T713-N716 PolarHBondContact OG1-OD1 3.22Å; N716-G718 PolarHBondContact ND2-O 3.22Å |
| 717 | R | 91.3 | Very high | 74.1 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -99.9 | -5.4 | 174 | -76.7 | 178.8 | -63.9 | 172.6 | 2.5 | 113.4 | T458 D541 A543 | T458-R717 PolarHBondContact O-NH1 2.74Å; T458-R717 PolarHBondContact O-NH2 3.3Å; D541-R717 PolarHBondContact O-N 3.47Å; D541-R717 IonicContact OD1-NH2 3.32Å; D541-R717 PolarHBondContact OD1-NH2 3.3Å; D541-R717 IonicContact OD2-CZ 3.9Å; D541-R717 IonicContact OD2-NE 3.79Å; D541-R717 PolarHBondContact OD2-NE 3.16Å; D541-R717 IonicContact OD2-NH2 3.29Å; D541-R717 PolarHBondContact OD2-NH2 3.01Å; A543-R717 HydrophobicContact CB-CB 3.95Å |
| 718 | G | 91.9 | Very high | 71.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -160.1 | -178.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D541 G542 N716 | D541-G718 PolarHBondContact O-N 3.29Å; D541-G718 VanDerWaalsContact O-N 3.15Å; G542-G718 WeakPolarHBondContact O-CA 3.39Å; N716-G718 PolarHBondContact ND2-O 3.22Å |
| 719 | I | 89.9 | Confident | 69.3 | Low | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 108.8 | -174.6 | -62.4 | 177.9 | 0 | 0 | 0 | 108.5 | V707 L721 Y743 L802 P933 I934 I935 | V707-I719 HydrophobicContact CG1-CD1 4.02Å; V707-I719 HydrophobicContact CG1-CG1 3.82Å; I719-L721 HydrophobicContact CG2-CD1 3.52Å; I719-L721 HydrophobicContact CG2-CD2 3.62Å; I719-L721 HydrophobicContact CG2-CG 3.58Å; I719-Y743 HydrophobicContact CD1-CD1 4.25Å; I719-Y743 HydrophobicContact CD1-CD2 4.17Å; I719-Y743 HydrophobicContact CD1-CG 3.97Å; I719-Y743 HydrophobicContact CG1-CD1 4.46Å; I719-L802 HydrophobicContact CD1-CD1 4.12Å; I719-L802 HydrophobicContact CD1-CD2 4.09Å; I719-P933 PolarHBondContact N-O 2.85Å; I719-I934 HydrophobicContact CB-CG1 4.34Å; I719-I934 HydrophobicContact CB-CG2 4.32Å; I719-I934 HydrophobicContact CD1-CG1 4.42Å; I719-I934 HydrophobicContact CG2-CG2 4.15Å; I719-I934 CarbonylContact O-C 3.58Å; I719-I934 WeakPolarHBondContact O-CA 3.42Å; I719-I935 PolarHBondContact O-N 2.81Å |
| 720 | W | 86.7 | Confident | 66.9 | Low | 30 Ų | 30 | 56.1 Ų | 56.1 | 11% | 0.114 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 113.8 | 179.2 | -178.4 | 26.5 | 0 | 0 | 0 | 110.9 | L449 P538 A539 F540 R722 I935 H937 | L449-W720 HydrophobicContact CB-CZ2 3.89Å; L449-W720 VanDerWaalsContact O-CH2 3.29Å; L449-W720 WeakPolarHBondContact O-CH2 3.17Å; P538-W720 HydrophobicContact CG-CB 4.12Å; P538-W720 HydrophobicContact CG-CD2 3.55Å; P538-W720 HydrophobicContact CG-CE3 4.36Å; P538-W720 HydrophobicContact CG-CG 3.58Å; A539-W720 VanDerWaalsContact O-CE3 3.29Å; F540-W720 AromaticContact CD1-CZ3 3.6Å; F540-W720 HydrophobicContact CD1-CZ3 3.6Å; F540-W720 AromaticContact CE1-CZ3 3.84Å; F540-W720 HydrophobicContact CE1-CZ3 3.84Å; F540-W720 HydrophobicContact CG-CZ3 4.01Å; F540-W720 HydrophobicContact CZ-CZ3 4.42Å; W720-R722 HydrophobicContact CD2-CG 4.33Å; W720-R722 HydrophobicContact CG-CG 4.35Å; W720-R722 VanDerWaalsContact CG-NE 3.29Å; W720-I935 HydrophobicContact CG-CB 4.46Å; W720-H937 AromaticContact CD1-NE2 3.93Å; W720-H937 AromaticContact CE2-CE1 3.65Å; W720-H937 AromaticContact CE2-NE2 3.79Å; W720-H937 AromaticContact CZ2-CE1 3.9Å; W720-H937 AromaticContact NE1-CD2 3.66Å; W720-H937 AromaticContact NE1-CE1 3.17Å; W720-H937 PolarHBondContact NE1-CE1 3.27Å; W720-H937 AromaticContact NE1-ND1 3.92Å; W720-H937 AromaticContact NE1-NE2 2.93Å; W720-H937 PolarHBondContact NE1-NE2 3.42Å |
| 721 | L | 82.3 | Confident | 65 | Low | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 107.4 | -158.1 | -58.5 | 165.2 | 0 | 0 | 0 | 110.5 | I719 W725 Y743 I934 I935 I936 H937 | I719-L721 HydrophobicContact CG2-CD1 3.52Å; I719-L721 HydrophobicContact CG2-CD2 3.62Å; I719-L721 HydrophobicContact CG2-CG 3.58Å; L721-W725 HydrophobicContact CB-CD2 4.45Å; L721-W725 HydrophobicContact CD1-CD2 4.21Å; L721-W725 HydrophobicContact CD1-CE3 4.43Å; L721-W725 HydrophobicContact CD1-CH2 3.44Å; L721-W725 VanDerWaalsContact CD1-CH2 3.44Å; L721-W725 HydrophobicContact CD1-CZ2 3.18Å; L721-W725 HydrophobicContact CD1-CZ3 4.08Å; L721-W725 HydrophobicContact CD2-CZ2 3.84Å; L721-W725 HydrophobicContact CG-CZ2 4.01Å; L721-Y743 WeakPolarHBondContact CD2-OH 3.39Å; L721-I934 HydrophobicContact CD1-CG2 4.31Å; L721-I935 PolarHBondContact N-O 3.45Å; L721-I936 HydrophobicContact CD1-CD1 4.48Å; L721-I936 HydrophobicContact CD1-CG1 3.72Å; L721-H937 PolarHBondContact O-N 2.81Å; L721-H937 VanDerWaalsContact O-N 3.08Å |
| 722 | R | 72.3 | Confident | 63.5 | Low | 15 Ų | 15 | 57 Ų | 57 | 6% | 0.057 | 32% | 0.315 | C | S | . | . | trans | -123.5 | -6.8 | -166.8 | -51.2 | 178.8 | -165.5 | -144.8 | -46 | 114.8 | P538 W720 C1062 | P538-R722 PolarHBondContact O-NH2 2.88Å; P538-R722 VanDerWaalsContact O-NH2 3.09Å; W720-R722 HydrophobicContact CD2-CG 4.33Å; W720-R722 HydrophobicContact CG-CG 4.35Å; W720-R722 VanDerWaalsContact CG-NE 3.29Å; R722-C1062 WeakPolarHBondContact O-CB 3.4Å | ||
| 723 | R | 61.5 | Low | 61.8 | Low | 64 Ų | 64 | 60.2 Ų | 60.2 | 24% | 0.242 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -146.9 | 146.9 | -173.5 | -63.1 | -178.2 | -175.4 | -134.9 | 1.1 | 110.6 | W725 P1003 I1005 E1059 D1061 | R723-W725 PolarHBondContact O-N 3.09Å; R723-P1003 PolarHBondContact NH2-O 3.1Å; R723-I1005 HydrophobicContact CG-CD1 4.2Å; R723-E1059 VanDerWaalsContact CZ-O 3.29Å; R723-E1059 PolarHBondContact NH1-O 3.07Å; R723-E1059 PolarHBondContact NH2-O 3.37Å; R723-D1061 VanDerWaalsContact CD-OD2 3.23Å; R723-D1061 WeakPolarHBondContact CD-OD2 3.37Å; R723-D1061 HydrophobicContact CG-CB 4.2Å; R723-D1061 IonicContact CZ-OD1 2.69Å; R723-D1061 IonicContact CZ-OD2 3.8Å; R723-D1061 IonicContact NE-OD2 2.68Å; R723-D1061 IonicContact NH1-OD1 3.38Å; R723-D1061 PolarHBondContact NH1-OD1 2.84Å; R723-D1061 IonicContact NH1-OD2 2.7Å; R723-D1061 PolarHBondContact NH1-OD2 2.91Å |
| 724 | G | 50.1 | Low | 60.3 | Low | 76 Ų | 76 | 63.2 Ų | 63.2 | 78% | 0.784 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 72.3 | 11.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 725 | W | 53.7 | Low | 59.5 | Low | 19 Ų | 19 | 62.3 Ų | 62.3 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | trans | -97.6 | -7.2 | -172.9 | -94.6 | 60.9 | 0 | 0 | 0 | 116.3 | L721 R723 L738 L741 I804 P806 I936 | L721-W725 HydrophobicContact CB-CD2 4.45Å; L721-W725 HydrophobicContact CD1-CD2 4.21Å; L721-W725 HydrophobicContact CD1-CE3 4.43Å; L721-W725 HydrophobicContact CD1-CH2 3.44Å; L721-W725 VanDerWaalsContact CD1-CH2 3.44Å; L721-W725 HydrophobicContact CD1-CZ2 3.18Å; L721-W725 HydrophobicContact CD1-CZ3 4.08Å; L721-W725 HydrophobicContact CD2-CZ2 3.84Å; L721-W725 HydrophobicContact CG-CZ2 4.01Å; R723-W725 PolarHBondContact O-N 3.09Å; W725-L738 WeakPolarHBondContact O-CD1 3.29Å; W725-L741 HydrophobicContact CD2-CD1 3.98Å; W725-L741 HydrophobicContact CG-CD1 4.32Å; W725-L741 HydrophobicContact CH2-CD1 4.33Å; W725-L741 HydrophobicContact CZ2-CB 4.39Å; W725-L741 HydrophobicContact CZ2-CD1 3.4Å; W725-L741 VanDerWaalsContact CZ2-CD1 3.4Å; W725-I804 HydrophobicContact CH2-CB 3.62Å; W725-I804 HydrophobicContact CH2-CD1 3.67Å; W725-I804 HydrophobicContact CH2-CG1 4.18Å; W725-I804 HydrophobicContact CH2-CG2 3.54Å; W725-I804 HydrophobicContact CZ2-CB 4.4Å; W725-I804 HydrophobicContact CZ2-CD1 4.15Å; W725-I804 HydrophobicContact CZ3-CB 4.43Å; W725-I804 HydrophobicContact CZ3-CG2 3.92Å; W725-P806 HydrophobicContact CD2-CG 4.3Å; W725-P806 HydrophobicContact CE3-CB 4.17Å; W725-P806 HydrophobicContact CE3-CG 4.1Å; W725-P806 HydrophobicContact CZ3-CG 4.32Å; W725-P806 WeakPolarHBondContact O-CB 3.38Å; W725-I936 HydrophobicContact CE3-CG2 4.39Å; W725-I936 HydrophobicContact CZ3-CD1 3.92Å; W725-I936 HydrophobicContact CZ3-CG1 4.41Å | ||
| 726 | L | 48.3 | Very low | 58.4 | Low | 41 Ų | 41 | 60.2 Ų | 60.2 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | trans | -104 | 121.9 | -167.1 | -96.8 | 167.6 | 0 | 0 | 0 | 113.1 | S728 M938 P939 | L726-S728 PolarHBondContact O-N 3.31Å; L726-M938 HydrophobicContact CD1-SD 4.46Å; L726-M938 HydrophobicContact CD2-CE 3.53Å; L726-M938 HydrophobicContact CD2-SD 4.06Å; L726-M938 HydrophobicContact CG-CE 4.28Å; L726-M938 HydrophobicContact CG-SD 4.16Å; L726-P939 HydrophobicContact CD1-CG 4Å; L726-P939 WeakPolarHBondContact CD1-O 3.21Å | ||
| 727 | L | 43.1 | Very low | 57.3 | Low | 42 Ų | 42 | 64.6 Ų | 64.6 | 22% | 0.22 | 39% | 0.385 | C | S | . | . | trans | -59.3 | 135 | 157.1 | -83.3 | 171.2 | 0 | 0 | 0 | 107.7 | A731 A736 L738 N807 | L727-A731 HydrophobicContact CD2-CB 4.22Å; L727-A736 WeakPolarHBondContact CD2-O 3.45Å; L727-L738 HydrophobicContact CD2-CG 4.07Å; L727-L738 HydrophobicContact CG-CD1 4.15Å; L727-L738 HydrophobicContact CG-CG 4.09Å; L727-N807 HydrophobicContact CD1-CB 4.19Å | ||
| 728 | S | 42.2 | Very low | 56.3 | Low | 36 Ų | 36 | 64.7 Ų | 64.7 | 25% | 0.252 | 39% | 0.388 | S | S | . | . | trans | -62.6 | 136.1 | 166.1 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | L726 R730 A731 | L726-S728 PolarHBondContact O-N 3.31Å; S728-R730 PolarHBondContact O-N 2.85Å; S728-R730 PolarHBondContact OG-N 3.43Å; S728-R730 VanDerWaalsContact OG-N 3.16Å; S728-A731 WeakPolarHBondContact O-CA 3.36Å; S728-A731 VanDerWaalsContact O-CB 3.32Å; S728-A731 WeakPolarHBondContact O-CB 3.48Å; S728-A731 PolarHBondContact O-N 2.99Å | ||
| 729 | P | 38.9 | Very low | 55.5 | Low | 108 Ų | 108 | 69 Ų | 69 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.6 | 168.3 | -27.1 | 36.2 | 0 | 0 | 0 | 113 | V732 | P729-V732 WeakPolarHBondContact O-CG2 3.31Š|
| 730 | R | 34.3 | Very low | 55.2 | Low | 171 Ų | 171 | 72.7 Ų | 72.7 | 65% | 0.645 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -17.7 | 169.9 | -72 | 179.8 | 166.3 | -171.4 | -7.6 | 114.4 | S728 V732 S733 H943 | S728-R730 PolarHBondContact O-N 2.85Å; S728-R730 PolarHBondContact OG-N 3.43Å; S728-R730 VanDerWaalsContact OG-N 3.16Å; R730-V732 PolarHBondContact O-N 3Å; R730-S733 PolarHBondContact O-N 2.9Å; R730-S733 VanDerWaalsContact O-N 3.07Å; R730-S733 PolarHBondContact O-OG 3.36Å; R730-H943 PolarHBondContact NH1-NE2 2.77Å; R730-H943 PolarHBondContact NH2-CE1 3.45Å; R730-H943 VanDerWaalsContact NH2-CE1 3.25Å; R730-H943 PolarHBondContact NH2-NE2 2.51Å |
| 731 | A | 39.4 | Very low | 55.3 | Low | 30 Ų | 30 | 72.5 Ų | 72.5 | 25% | 0.248 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -14.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L727 S728 S733 | L727-A731 HydrophobicContact CD2-CB 4.22Å; S728-A731 WeakPolarHBondContact O-CA 3.36Å; S728-A731 VanDerWaalsContact O-CB 3.32Å; S728-A731 WeakPolarHBondContact O-CB 3.48Å; S728-A731 PolarHBondContact O-N 2.99Å; A731-S733 CarbonylContact O-C 3.58Å; A731-S733 PolarHBondContact O-N 2.94Å |
| 732 | V | 39.8 | Very low | 55.7 | Low | 114 Ų | 114 | 79.4 Ų | 79.4 | 69% | 0.691 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.1 | 167 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | P729 R730 N734 | P729-V732 WeakPolarHBondContact O-CG2 3.31Å; R730-V732 PolarHBondContact O-N 3Å; V732-N734 VanDerWaalsContact C-N 3.28Å; V732-N734 PolarHBondContact O-N 2.97Å |
| 733 | S | 39.4 | Very low | 56.6 | Low | 97 Ų | 97 | 78.8 Ų | 78.8 | 68% | 0.678 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -78.2 | 79.5 | 161.9 | 75 | 0 | 0 | 0 | 0 | 111.1 | R730 A731 | R730-S733 PolarHBondContact O-N 2.9Å; R730-S733 VanDerWaalsContact O-N 3.07Å; R730-S733 PolarHBondContact O-OG 3.36Å; A731-S733 CarbonylContact O-C 3.58Å; A731-S733 PolarHBondContact O-N 2.94Å |
| 734 | N | 36.4 | Very low | 58.1 | Low | 148 Ų | 148 | 77.9 Ų | 77.9 | 79% | 0.791 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 36.4 | 96.6 | 161 | -63.3 | -13.1 | 0 | 0 | 0 | 117.3 | V732 | V732-N734 VanDerWaalsContact C-N 3.28Å; V732-N734 PolarHBondContact O-N 2.97Å |
| 735 | V | 45.9 | Very low | 60.2 | Low | 147 Ų | 147 | 74.3 Ų | 74.3 | 89% | 0.891 | 42% | 0.423 | S | S | * | . | S | Bend | 168 | -33.4 | 124.2 | 151.7 | 0 | 0 | 0 | 0 | 112.4 | |||
| 736 | A | 51.4 | Low | 62.1 | Low | 71 Ų | 71 | 74.9 Ų | 74.9 | 59% | 0.587 | 43% | 0.431 | S | S | * | . | trans | -95.8 | 112.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L727 | L727-A736 WeakPolarHBondContact CD2-O 3.45Š| ||
| 737 | S | 65.2 | Low | 64.3 | Low | 98 Ų | 98 | 73 Ų | 73 | 69% | 0.685 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -93.3 | 149.5 | 168.1 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 738 | L | 69.3 | Low | 66.6 | Low | 38 Ų | 38 | 72.8 Ų | 72.8 | 20% | 0.199 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 148.7 | 171 | -75.9 | 179.5 | 0 | 0 | 0 | 111.7 | W725 L727 P806 N807 | W725-L738 WeakPolarHBondContact O-CD1 3.29Å; L727-L738 HydrophobicContact CD2-CG 4.07Å; L727-L738 HydrophobicContact CG-CD1 4.15Å; L727-L738 HydrophobicContact CG-CG 4.09Å; L738-P806 HydrophobicContact CB-CB 4.39Å; L738-P806 HydrophobicContact CD1-CB 3.72Å; L738-P806 HydrophobicContact CD1-CG 4.44Å; L738-N807 PolarHBondContact N-OD1 3.38Å; L738-N807 PolarHBondContact O-ND2 2.88Å |
| 739 | P | 76.1 | Confident | 69 | Low | 91 Ų | 91 | 71.3 Ų | 71.3 | 59% | 0.591 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 144.7 | 175.1 | 29.3 | -35.3 | 0 | 0 | 0 | 111.8 | ||
| 740 | L | 83.7 | Confident | 71.5 | Confident | 79 Ų | 79 | 68.7 Ų | 68.7 | 41% | 0.414 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 132.5 | 168.3 | -67.8 | 175 | 0 | 0 | 0 | 110.3 | V803 D805 | L740-V803 HydrophobicContact CB-CG1 4.23Å; L740-D805 HydrophobicContact CD2-CB 3.5Å |
| 741 | L | 87.2 | Confident | 74.2 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.7 | -175.7 | -63.2 | 173.1 | 0 | 0 | 0 | 109.9 | P710 W725 Y743 V803 I804 P806 | P710-L741 HydrophobicContact CB-CD2 4.22Å; P710-L741 HydrophobicContact CG-CD2 4.05Å; W725-L741 HydrophobicContact CD2-CD1 3.98Å; W725-L741 HydrophobicContact CG-CD1 4.32Å; W725-L741 HydrophobicContact CH2-CD1 4.33Å; W725-L741 HydrophobicContact CZ2-CB 4.39Å; W725-L741 HydrophobicContact CZ2-CD1 3.4Å; W725-L741 VanDerWaalsContact CZ2-CD1 3.4Å; L741-Y743 HydrophobicContact CB-CE2 4.05Å; L741-V803 WeakPolarHBondContact O-CA 3.43Å; L741-I804 PolarHBondContact N-O 2.93Å; L741-I804 PolarHBondContact O-N 3.44Å; L741-P806 HydrophobicContact CD1-CG 3.81Å; L741-P806 HydrophobicContact CG-CG 4.28Å |
| 742 | R | 90.7 | Very high | 76.6 | Confident | 157 Ų | 157 | 61 Ų | 61 | 59% | 0.592 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.6 | -173 | -61.1 | -179.4 | 177.3 | -94.3 | -2.5 | 109.9 | P710 V803 | P710-R742 WeakPolarHBondContact CD-O 3.45Å; R742-V803 HydrophobicContact CG-CG1 4.14Å; R742-V803 HydrophobicContact CG-CG2 4.13Å |
| 743 | Y | 92.4 | Very high | 78.7 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 141.5 | 176.5 | -65.3 | -87.7 | 0 | 0 | 0 | 109.5 | V707 S708 P710 I719 L721 L741 L802 I804 | V707-Y743 HydrophobicContact CG1-CD1 3.98Å; V707-Y743 HydrophobicContact CG1-CG 4.36Å; S708-Y743 CarbonylContact O-C 3.45Å; S708-Y743 VanDerWaalsContact O-CA 3.28Å; S708-Y743 WeakPolarHBondContact O-CA 3.48Å; P710-Y743 VanDerWaalsContact O-CE1 3.26Å; P710-Y743 WeakPolarHBondContact O-CE1 3.47Å; P710-Y743 PolarHBondContact O-OH 3.37Å; I719-Y743 HydrophobicContact CD1-CD1 4.25Å; I719-Y743 HydrophobicContact CD1-CD2 4.17Å; I719-Y743 HydrophobicContact CD1-CG 3.97Å; I719-Y743 HydrophobicContact CG1-CD1 4.46Å; L721-Y743 WeakPolarHBondContact CD2-OH 3.39Å; L741-Y743 HydrophobicContact CB-CE2 4.05Å; Y743-L802 HydrophobicContact CD2-CD2 4.23Å; Y743-L802 PolarHBondContact N-O 3.15Å; Y743-L802 PolarHBondContact O-N 3.11Å; Y743-I804 HydrophobicContact CD2-CD1 4.27Å; Y743-I804 HydrophobicContact CD2-CG1 4.42Å; Y743-I804 HydrophobicContact CE2-CD1 4.13Å; Y743-I804 HydrophobicContact CE2-CG1 4.49Å |
| 744 | T | 93.5 | Very high | 80.7 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 28% | 0.276 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.3 | 168.9 | -53.5 | 0 | 0 | 0 | 0 | 108 | V707 S708 D799 | V707-T744 WeakPolarHBondContact CA-O 3.45Å; S708-T744 PolarHBondContact N-O 2.79Å; S708-T744 PolarHBondContact O-N 3.19Å; S708-T744 PolarHBondContact OG-O 3Å; T744-D799 HydrophobicContact CG2-CB 3.76Å |
| 745 | V | 93.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 112.2 | 170.6 | 174.6 | 0 | 0 | 0 | 0 | 107.6 | T706 V707 D799 I800 L802 I932 | T706-V745 CarbonylContact O-C 3.49Å; T706-V745 WeakPolarHBondContact O-CA 3.18Å; V707-V745 HydrophobicContact CG1-CG2 4.43Å; V707-V745 HydrophobicContact CG2-CG2 4.34Å; V745-D799 CarbonylContact O-C 3.57Å; V745-D799 WeakPolarHBondContact O-CA 3.36Å; V745-I800 HydrophobicContact CB-CB 4.34Å; V745-I800 HydrophobicContact CG1-CD1 4.38Å; V745-I800 PolarHBondContact N-O 3.3Å; V745-I800 PolarHBondContact O-N 2.72Å; V745-L802 HydrophobicContact CG2-CB 4.13Å; V745-L802 HydrophobicContact CG2-CD1 4.08Å; V745-I932 HydrophobicContact CB-CD1 4.3Å; V745-I932 HydrophobicContact CG1-CD1 3.44Å; V745-I932 VanDerWaalsContact CG1-CD1 3.44Å; V745-I932 HydrophobicContact CG2-CD1 3.82Å |
| 746 | S | 93.2 | Very high | 85.1 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125 | 170.8 | -154.4 | 0 | 0 | 0 | 0 | 109.2 | T706 D799 | T706-S746 PolarHBondContact N-O 3.47Å; T706-S746 PolarHBondContact O-N 2.84Å; S746-D799 WeakPolarHBondContact CA-OD1 3.37Å; S746-D799 WeakPolarHBondContact CB-OD1 3.49Å; S746-D799 PolarHBondContact OG-OD1 2.68Å |
| 747 | M | 93.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.3 | -173.3 | -179.5 | 175 | -72.6 | 0 | 0 | 109.3 | I703 L705 L767 I791 V793 P797 R798 I800 F918 | I703-M747 HydrophobicContact CG2-CG 3.59Å; I703-M747 HydrophobicContact CG2-SD 4.39Å; L705-M747 HydrophobicContact CD2-CB 3.83Å; L705-M747 HydrophobicContact CD2-CE 3.47Å; L705-M747 VanDerWaalsContact CD2-CE 3.47Å; L705-M747 HydrophobicContact CD2-CG 3.55Å; L705-M747 HydrophobicContact CD2-SD 4.26Å; M747-L767 HydrophobicContact CE-CD1 4.42Å; M747-L767 HydrophobicContact SD-CD1 3.69Å; M747-I791 HydrophobicContact SD-CG2 4.12Å; M747-V793 HydrophobicContact CG-CG1 4.36Å; M747-V793 HydrophobicContact CG-CG2 4.12Å; M747-V793 HydrophobicContact SD-CG2 3.42Å; M747-V793 WeakPolarHBondContact SD-CG2 3.38Å; M747-P797 WeakPolarHBondContact O-CA 3.11Å; M747-R798 PolarHBondContact N-O 2.7Å; M747-R798 PolarHBondContact O-N 3.02Å; M747-I800 HydrophobicContact CB-CD1 3.77Å; M747-I800 HydrophobicContact CE-CD1 3.64Å; M747-I800 HydrophobicContact CG-CD1 4.42Å; M747-I800 HydrophobicContact SD-CD1 3.8Å; M747-F918 HydrophobicContact CE-CD1 3.64Å; M747-F918 HydrophobicContact CE-CD2 4.08Å; M747-F918 HydrophobicContact CE-CE1 3.47Å; M747-F918 VanDerWaalsContact CE-CE1 3.47Å; M747-F918 HydrophobicContact CE-CE2 3.95Å; M747-F918 HydrophobicContact CE-CG 3.95Å; M747-F918 HydrophobicContact CE-CZ 3.64Å |
| 748 | N | 92.5 | Very high | 87.4 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 140.3 | -176.6 | -175.8 | 41.5 | 0 | 0 | 0 | 111.1 | I703 R704 E750 P797 | I703-N748 CarbonylContact C-O 3.47Å; I703-N748 WeakPolarHBondContact CA-O 3.08Å; R704-N748 PolarHBondContact N-O 3.37Å; R704-N748 PolarHBondContact O-N 3.17Å; N748-E750 PolarHBondContact O-N 3.09Å; N748-P797 HydrophobicContact CB-CB 4.24Å; N748-P797 HydrophobicContact CB-CG 4.32Å; N748-P797 WeakPolarHBondContact OD1-CG 3.5Å |
| 749 | I | 93.4 | Very high | 88.1 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 112.2 | 170.8 | -51.4 | 179.8 | 0 | 0 | 0 | 108.1 | W701 F751 M763 L765 V793 T794 | W701-I749 HydrophobicContact CB-CG2 4.23Å; W701-I749 HydrophobicContact CE3-CG2 4.24Å; I749-F751 HydrophobicContact CB-CE2 3.96Å; I749-F751 HydrophobicContact CB-CZ 4.13Å; I749-F751 HydrophobicContact CG2-CD1 4.44Å; I749-F751 HydrophobicContact CG2-CD2 4.19Å; I749-F751 HydrophobicContact CG2-CE1 3.92Å; I749-F751 HydrophobicContact CG2-CE2 3.63Å; I749-F751 HydrophobicContact CG2-CZ 3.48Å; I749-F751 VanDerWaalsContact CG2-CZ 3.48Å; I749-M763 HydrophobicContact CD1-CG 3.97Å; I749-M763 HydrophobicContact CD1-SD 4.05Å; I749-M763 HydrophobicContact CG2-SD 3.96Å; I749-L765 HydrophobicContact CD1-CD1 3.92Å; I749-L765 HydrophobicContact CD1-CG 4.37Å; I749-V793 HydrophobicContact CD1-CB 4.48Å; I749-V793 HydrophobicContact CD1-CG1 4.02Å; I749-V793 HydrophobicContact CG1-CG1 3.79Å; I749-T794 WeakPolarHBondContact CD1-O 3.16Å |
| 750 | E | 90.7 | Very high | 88.7 | Confident | 52 Ų | 52 | 47.2 Ų | 47.2 | 24% | 0.243 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 125.6 | 171.9 | -74.1 | -167.1 | 150.7 | 0 | 0 | 110.3 | W701 H702 R704 N748 | W701-E750 CarbonylContact C-O 3.57Å; W701-E750 WeakPolarHBondContact CA-O 3.39Å; W701-E750 WeakPolarHBondContact CB-O 3.49Å; H702-E750 IonicContact CE1-OE2 2.71Å; H702-E750 PolarHBondContact CE1-OE2 2.75Å; H702-E750 PolarHBondContact N-O 3.01Å; H702-E750 IonicContact NE2-OE2 3.78Å; H702-E750 PolarHBondContact NE2-OE2 2.94Å; H702-E750 PolarHBondContact O-N 2.9Å; R704-E750 HydrophobicContact CB-CG 4.15Å; R704-E750 IonicContact CZ-OE1 2.73Å; R704-E750 VanDerWaalsContact CZ-OE1 3.29Å; R704-E750 IonicContact CZ-OE2 3.64Å; R704-E750 IonicContact NE-OE1 3.95Å; R704-E750 PolarHBondContact NE-OE1 2.85Å; R704-E750 IonicContact NE-OE2 3.32Å; R704-E750 PolarHBondContact NE-OE2 3.38Å; R704-E750 VanDerWaalsContact NH2-CD 3.34Å; R704-E750 IonicContact NH2-OE1 3.51Å; R704-E750 PolarHBondContact NH2-OE1 2.94Å; R704-E750 VanDerWaalsContact NH2-OE1 3.12Å; R704-E750 IonicContact NH2-OE2 3.4Å; R704-E750 PolarHBondContact NH2-OE2 3.44Å; N748-E750 PolarHBondContact O-N 3.09Å |
| 751 | F | 91.5 | Very high | 88.7 | Confident | 38 Ų | 38 | 51.5 Ų | 51.5 | 17% | 0.167 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.7 | 179.9 | -59.8 | -91.5 | 0 | 0 | 0 | 110.2 | W701 I749 V755 R760 M763 | W701-F751 HydrophobicContact CB-CD1 3.75Å; W701-F751 HydrophobicContact CB-CE1 4.18Å; W701-F751 HydrophobicContact CB-CG 4.38Å; W701-F751 HydrophobicContact CG-CD1 4.49Å; I749-F751 HydrophobicContact CB-CE2 3.96Å; I749-F751 HydrophobicContact CB-CZ 4.13Å; I749-F751 HydrophobicContact CG2-CD1 4.44Å; I749-F751 HydrophobicContact CG2-CD2 4.19Å; I749-F751 HydrophobicContact CG2-CE1 3.92Å; I749-F751 HydrophobicContact CG2-CE2 3.63Å; I749-F751 HydrophobicContact CG2-CZ 3.48Å; I749-F751 VanDerWaalsContact CG2-CZ 3.48Å; F751-V755 HydrophobicContact CB-CB 4.35Å; F751-V755 HydrophobicContact CD1-CG1 4.07Å; F751-R760 HydrophobicContact CB-CG 3.95Å; F751-R760 VanDerWaalsContact CB-NE 3.32Å; F751-R760 HydrophobicContact CD1-CB 4.36Å; F751-R760 HydrophobicContact CD1-CG 3.77Å; F751-R760 HydrophobicContact CD2-CB 4.09Å; F751-R760 HydrophobicContact CD2-CG 3.88Å; F751-R760 HydrophobicContact CE1-CB 4.29Å; F751-R760 HydrophobicContact CE1-CG 4.18Å; F751-R760 HydrophobicContact CE2-CB 4.03Å; F751-R760 HydrophobicContact CE2-CG 4.29Å; F751-R760 HydrophobicContact CG-CB 4.25Å; F751-R760 HydrophobicContact CG-CG 3.6Å; F751-R760 HydrophobicContact CZ-CB 4.13Å; F751-R760 HydrophobicContact CZ-CG 4.43Å; F751-M763 HydrophobicContact CE1-CB 4.25Å; F751-M763 HydrophobicContact CE1-CE 4.22Å; F751-M763 HydrophobicContact CE1-CG 4.49Å; F751-M763 HydrophobicContact CE1-SD 3.56Å; F751-M763 VanDerWaalsContact CE1-SD 3.56Å; F751-M763 HydrophobicContact CZ-CB 3.98Å; F751-M763 HydrophobicContact CZ-CG 4.31Å; F751-M763 HydrophobicContact CZ-SD 3.78Å |
| 752 | D | 88.6 | Confident | 88.6 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.011 | 27% | 0.269 | C | S | . | . | trans | -58.2 | 148.8 | 170.4 | -65.8 | -21.4 | 0 | 0 | 0 | 110.3 | H432 G700 Y754 V755 R760 | H432-D752 IonicContact CE1-OD1 2.72Å; H432-D752 IonicContact CG-OD1 3.18Å; H432-D752 IonicContact ND1-OD1 3.59Å; H432-D752 PolarHBondContact ND1-OD1 2.65Å; H432-D752 VanDerWaalsContact O-CA 3.27Å; H432-D752 WeakPolarHBondContact O-CA 3.17Å; H432-D752 VanDerWaalsContact O-CB 3.25Å; H432-D752 WeakPolarHBondContact O-CB 3.45Å; G700-D752 WeakPolarHBondContact CA-OD2 3.28Å; G700-D752 WeakPolarHBondContact O-CB 3.18Å; G700-D752 PolarHBondContact O-N 2.87Å; D752-Y754 HydrophobicContact CB-CD2 3.85Å; D752-Y754 HydrophobicContact CB-CE1 4.07Å; D752-Y754 HydrophobicContact CB-CE2 3.25Å; D752-Y754 HydrophobicContact CB-CG 4.45Å; D752-Y754 VanDerWaalsContact CG-OH 3.32Å; D752-Y754 PolarHBondContact O-N 3.26Å; D752-Y754 WeakPolarHBondContact OD2-CE2 2.94Å; D752-Y754 VanDerWaalsContact OD2-CZ 3.28Å; D752-Y754 PolarHBondContact OD2-OH 3.34Å; D752-V755 PolarHBondContact O-N 2.84Å; D752-V755 VanDerWaalsContact O-N 3.07Å; D752-R760 PolarHBondContact O-NH2 3.16Å | ||
| 753 | E | 83.3 | Confident | 88.4 | Confident | 100 Ų | 100 | 50.7 Ų | 50.7 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.1 | -169.6 | -90.1 | -159.4 | -135.1 | 0 | 0 | 113.5 | R429 H432 K433 R760 | R429-E753 IonicContact NH1-OE1 2.66Å; H432-E753 PolarHBondContact O-N 3.46Å; K433-E753 HydrophobicContact CB-CB 4.5Å; K433-E753 HydrophobicContact CB-CG 4.48Å; K433-E753 VanDerWaalsContact CD-OE1 3.24Å; K433-E753 WeakPolarHBondContact CD-OE1 3.32Å; K433-E753 HydrophobicContact CG-CB 4.18Å; K433-E753 HydrophobicContact CG-CG 4.22Å; K433-E753 WeakPolarHBondContact CG-OE1 3.45Å; K433-E753 IonicContact NZ-OE1 3.08Å; K433-E753 PolarHBondContact NZ-OE1 3.47Å; K433-E753 IonicContact NZ-OE2 2.81Å; K433-E753 PolarHBondContact NZ-OE2 2.97Å; E753-R760 PolarHBondContact O-NH2 2.97Å |
| 754 | Y | 82.3 | Confident | 88.3 | Confident | 65 Ų | 65 | 55.2 Ų | 55.2 | 26% | 0.255 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -10.8 | -178.4 | 42.1 | -114.2 | 0 | 0 | 0 | 115.6 | C696 D752 P756 | C696-Y754 HydrophobicContact CB-CD2 3.8Å; C696-Y754 HydrophobicContact CB-CE2 3.48Å; C696-Y754 VanDerWaalsContact CB-CE2 3.48Å; C696-Y754 WeakPolarHBondContact O-CD2 3.26Å; C696-Y754 WeakPolarHBondContact O-CE2 3.4Å; D752-Y754 HydrophobicContact CB-CD2 3.85Å; D752-Y754 HydrophobicContact CB-CE1 4.07Å; D752-Y754 HydrophobicContact CB-CE2 3.25Å; D752-Y754 HydrophobicContact CB-CG 4.45Å; D752-Y754 VanDerWaalsContact CG-OH 3.32Å; D752-Y754 PolarHBondContact O-N 3.26Å; D752-Y754 WeakPolarHBondContact OD2-CE2 2.94Å; D752-Y754 VanDerWaalsContact OD2-CZ 3.28Å; D752-Y754 PolarHBondContact OD2-OH 3.34Å; Y754-P756 WeakPolarHBondContact O-CD 3.02Å |
| 755 | V | 87.2 | Confident | 88.1 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -70.2 | 125.3 | 177.7 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | G700 F751 D752 I759 R760 | G700-V755 WeakPolarHBondContact O-CG2 3.21Å; F751-V755 HydrophobicContact CB-CB 4.35Å; F751-V755 HydrophobicContact CD1-CG1 4.07Å; D752-V755 PolarHBondContact O-N 2.84Å; D752-V755 VanDerWaalsContact O-N 3.07Å; V755-I759 HydrophobicContact CG1-CB 4.11Å; V755-I759 HydrophobicContact CG1-CG2 3.83Å; V755-R760 HydrophobicContact CB-CG 4.36Å; V755-R760 HydrophobicContact CG1-CG 3.88Å; V755-R760 PolarHBondContact O-NE 2.91Å; V755-R760 PolarHBondContact O-NH2 3.04Å |
| 756 | P | 86.7 | Confident | 88.1 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 33% | 0.331 | 27% | 0.273 | S | S | . | . | trans | -58.1 | 141.7 | 177.3 | -26 | 35.2 | 0 | 0 | 0 | 113.6 | I697 Y754 D758 I759 R760 | I697-P756 HydrophobicContact CG2-CG 4.26Å; Y754-P756 WeakPolarHBondContact O-CD 3.02Å; P756-D758 PolarHBondContact O-N 3.2Å; P756-D758 VanDerWaalsContact O-N 3.15Å; P756-I759 HydrophobicContact CB-CD1 4.23Å; P756-I759 HydrophobicContact CG-CD1 4.03Å; P756-I759 PolarHBondContact O-N 2.9Å; P756-I759 VanDerWaalsContact O-N 3.12Å; P756-R760 PolarHBondContact O-N 2.81Å; P756-R760 VanDerWaalsContact O-N 3.12Å | ||
| 757 | I | 84.7 | Confident | 88 | Confident | 92 Ų | 92 | 55.2 Ų | 55.2 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.2 | -32.5 | -176.5 | -85.9 | 173.2 | 0 | 0 | 0 | 113 | R760 R761 | I757-R760 WeakPolarHBondContact O-CB 3.21Å; I757-R760 PolarHBondContact O-N 3.07Å; I757-R761 HydrophobicContact CG2-CG 4.36Å; I757-R761 WeakPolarHBondContact O-CB 3.43Å; I757-R761 WeakPolarHBondContact O-CG 3.49Å; I757-R761 PolarHBondContact O-N 2.81Å |
| 758 | D | 81.6 | Confident | 87.9 | Confident | 99 Ų | 99 | 57 Ų | 57 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.2 | -35.3 | -178.2 | -47.6 | -61.9 | 0 | 0 | 0 | 111.8 | P756 R761 N762 | P756-D758 PolarHBondContact O-N 3.2Å; P756-D758 VanDerWaalsContact O-N 3.15Å; D758-R761 PolarHBondContact O-N 3.18Å; D758-N762 VanDerWaalsContact O-CB 3.3Å; D758-N762 WeakPolarHBondContact O-CB 2.96Å; D758-N762 PolarHBondContact O-N 3.29Å; D758-N762 PolarHBondContact O-ND2 2.93Å |
| 759 | I | 83.6 | Confident | 87.7 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 23% | 0.226 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 170.7 | -69 | 159.3 | 0 | 0 | 0 | 110.2 | I697 M698 V755 P756 R761 N762 M763 | I697-I759 HydrophobicContact CG2-CD1 3.42Å; I697-I759 VanDerWaalsContact CG2-CD1 3.42Å; M698-I759 HydrophobicContact CE-CB 4.41Å; M698-I759 HydrophobicContact CE-CD1 3.44Å; M698-I759 VanDerWaalsContact CE-CD1 3.44Å; M698-I759 HydrophobicContact CE-CG1 3.73Å; M698-I759 HydrophobicContact CE-CG2 3.77Å; V755-I759 HydrophobicContact CG1-CB 4.11Å; V755-I759 HydrophobicContact CG1-CG2 3.83Å; P756-I759 HydrophobicContact CB-CD1 4.23Å; P756-I759 HydrophobicContact CG-CD1 4.03Å; P756-I759 PolarHBondContact O-N 2.9Å; P756-I759 VanDerWaalsContact O-N 3.12Å; I759-R761 VanDerWaalsContact C-N 3.33Å; I759-R761 PolarHBondContact O-N 2.68Å; I759-N762 PolarHBondContact O-N 2.8Å; I759-M763 PolarHBondContact O-N 2.93Å |
| 760 | R | 87.3 | Confident | 87.4 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 23% | 0.226 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 175.5 | -59 | -169.6 | 179.1 | 133 | 1.6 | 112.1 | F751 D752 E753 V755 P756 I757 S795 | F751-R760 HydrophobicContact CB-CG 3.95Å; F751-R760 VanDerWaalsContact CB-NE 3.32Å; F751-R760 HydrophobicContact CD1-CB 4.36Å; F751-R760 HydrophobicContact CD1-CG 3.77Å; F751-R760 HydrophobicContact CD2-CB 4.09Å; F751-R760 HydrophobicContact CD2-CG 3.88Å; F751-R760 HydrophobicContact CE1-CB 4.29Å; F751-R760 HydrophobicContact CE1-CG 4.18Å; F751-R760 HydrophobicContact CE2-CB 4.03Å; F751-R760 HydrophobicContact CE2-CG 4.29Å; F751-R760 HydrophobicContact CG-CB 4.25Å; F751-R760 HydrophobicContact CG-CG 3.6Å; F751-R760 HydrophobicContact CZ-CB 4.13Å; F751-R760 HydrophobicContact CZ-CG 4.43Å; D752-R760 PolarHBondContact O-NH2 3.16Å; E753-R760 PolarHBondContact O-NH2 2.97Å; V755-R760 HydrophobicContact CB-CG 4.36Å; V755-R760 HydrophobicContact CG1-CG 3.88Å; V755-R760 PolarHBondContact O-NE 2.91Å; V755-R760 PolarHBondContact O-NH2 3.04Å; P756-R760 PolarHBondContact O-N 2.81Å; P756-R760 VanDerWaalsContact O-N 3.12Å; I757-R760 WeakPolarHBondContact O-CB 3.21Å; I757-R760 PolarHBondContact O-N 3.07Å; R760-S795 WeakPolarHBondContact O-CB 3.45Å |
| 761 | R | 84.7 | Confident | 86.8 | Confident | 170 Ų | 170 | 58.5 Ų | 58.5 | 64% | 0.642 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -69.9 | -36.7 | -179.9 | -76.9 | 171.1 | 170.9 | 165.2 | -4.1 | 113.4 | I757 D758 I759 | I757-R761 HydrophobicContact CG2-CG 4.36Å; I757-R761 WeakPolarHBondContact O-CB 3.43Å; I757-R761 WeakPolarHBondContact O-CG 3.49Å; I757-R761 PolarHBondContact O-N 2.81Å; D758-R761 PolarHBondContact O-N 3.18Å; I759-R761 VanDerWaalsContact C-N 3.33Å; I759-R761 PolarHBondContact O-N 2.68Å |
| 762 | N | 84.8 | Confident | 86 | Confident | 137 Ų | 137 | 57.6 Ų | 57.6 | 73% | 0.733 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -93.3 | 4.7 | -173.5 | -62.3 | -12 | 0 | 0 | 0 | 113.4 | D758 I759 | D758-N762 VanDerWaalsContact O-CB 3.3Å; D758-N762 WeakPolarHBondContact O-CB 2.96Å; D758-N762 PolarHBondContact O-N 3.29Å; D758-N762 PolarHBondContact O-ND2 2.93Å; I759-N762 PolarHBondContact O-N 2.8Å |
| 763 | M | 86.3 | Confident | 85 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 14% | 0.143 | 29% | 0.287 | C | S | . | . | trans | -80.4 | 119.7 | 177.8 | 178.8 | 162.6 | -77.3 | 0 | 0 | 111.9 | W701 I749 F751 I759 L765 T794 | W701-M763 HydrophobicContact CD2-CE 4.18Å; W701-M763 HydrophobicContact CD2-SD 4.04Å; W701-M763 HydrophobicContact CE3-SD 4.45Å; W701-M763 HydrophobicContact CG-CE 4.21Å; W701-M763 HydrophobicContact CG-SD 4.22Å; W701-M763 HydrophobicContact CZ2-CE 4.25Å; I749-M763 HydrophobicContact CD1-CG 3.97Å; I749-M763 HydrophobicContact CD1-SD 4.05Å; I749-M763 HydrophobicContact CG2-SD 3.96Å; F751-M763 HydrophobicContact CE1-CB 4.25Å; F751-M763 HydrophobicContact CE1-CE 4.22Å; F751-M763 HydrophobicContact CE1-CG 4.49Å; F751-M763 HydrophobicContact CE1-SD 3.56Å; F751-M763 VanDerWaalsContact CE1-SD 3.56Å; F751-M763 HydrophobicContact CZ-CB 3.98Å; F751-M763 HydrophobicContact CZ-CG 4.31Å; F751-M763 HydrophobicContact CZ-SD 3.78Å; I759-M763 PolarHBondContact O-N 2.93Å; M763-L765 HydrophobicContact CG-CG 4.36Å; M763-L765 HydrophobicContact SD-CD1 4.48Å; M763-T794 WeakPolarHBondContact O-CA 3.48Å | ||
| 764 | E | 90.1 | Very high | 83.8 | Confident | 97 Ų | 97 | 57.2 Ų | 57.2 | 45% | 0.453 | 28% | 0.284 | S | S | . | . | trans | -129.9 | 131.8 | 170 | -176.9 | 168.8 | -170.7 | 0 | 0 | 109.7 | H766 T792 V793 T794 N922 | E764-H766 IonicContact OE1-CE1 3.24Å; E764-H766 PolarHBondContact OE1-CE1 2.85Å; E764-H766 IonicContact OE1-ND1 2.81Å; E764-T792 HydrophobicContact CG-CG2 3.82Å; E764-T792 WeakPolarHBondContact OE1-CG2 3.34Å; E764-V793 WeakPolarHBondContact CA-O 3.45Å; E764-T794 HydrophobicContact CG-CG2 4.17Å; E764-N922 PolarHBondContact O-ND2 3.02Å | ||
| 765 | L | 90 | Very high | 82.6 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122 | 179.9 | -64.6 | 174.5 | 0 | 0 | 0 | 109 | W701 I703 I749 M763 L767 T792 V793 L929 | W701-L765 HydrophobicContact CE3-CD1 4.47Å; W701-L765 HydrophobicContact CH2-CD1 3.71Å; W701-L765 HydrophobicContact CH2-CD2 4.32Å; W701-L765 HydrophobicContact CZ3-CD1 3.64Å; I703-L765 HydrophobicContact CD1-CD1 4.34Å; I749-L765 HydrophobicContact CD1-CD1 3.92Å; I749-L765 HydrophobicContact CD1-CG 4.37Å; M763-L765 HydrophobicContact CG-CG 4.36Å; M763-L765 HydrophobicContact SD-CD1 4.48Å; L765-L767 HydrophobicContact CB-CD2 3.97Å; L765-L767 HydrophobicContact CB-CG 4.43Å; L765-T792 CarbonylContact O-C 3.59Å; L765-T792 WeakPolarHBondContact O-CA 3.49Å; L765-V793 PolarHBondContact N-O 2.86Å; L765-V793 PolarHBondContact O-N 2.86Å; L765-L929 HydrophobicContact CD1-CD1 4.32Å |
| 766 | H | 92.9 | Very high | 81 | Confident | 72 Ų | 72 | 62.2 Ų | 62.2 | 33% | 0.333 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 105.5 | 172.1 | -56.6 | -57.7 | 0 | 0 | 0 | 108.4 | E764 T792 I921 N922 | E764-H766 IonicContact OE1-CE1 3.24Å; E764-H766 PolarHBondContact OE1-CE1 2.85Å; E764-H766 IonicContact OE1-ND1 2.81Å; H766-T792 PolarHBondContact ND1-OG1 3.25Å; H766-I921 HydrophobicContact CB-CB 4.41Å; H766-I921 HydrophobicContact CB-CD1 4.1Å; H766-I921 WeakPolarHBondContact O-CG1 3.14Å; H766-I921 PolarHBondContact O-N 2.97Å; H766-N922 PolarHBondContact N-OD1 2.89Å; H766-N922 VanDerWaalsContact N-OD1 3.15Å |
| 767 | L | 92 | Very high | 79.4 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 135.4 | -174.3 | -52 | 179.6 | 0 | 0 | 0 | 111.9 | I703 M747 L765 M790 I791 V793 F918 K919 A920 L929 | I703-L767 HydrophobicContact CD1-CD1 3.91Å; I703-L767 HydrophobicContact CD1-CD2 4.41Å; M747-L767 HydrophobicContact CE-CD1 4.42Å; M747-L767 HydrophobicContact SD-CD1 3.69Å; L765-L767 HydrophobicContact CB-CD2 3.97Å; L765-L767 HydrophobicContact CB-CG 4.43Å; L767-M790 CarbonylContact O-C 3.51Å; L767-M790 VanDerWaalsContact O-CA 3.31Å; L767-M790 WeakPolarHBondContact O-CA 3.37Å; L767-I791 HydrophobicContact CB-CB 4.4Å; L767-I791 VanDerWaalsContact CB-O 3.31Å; L767-I791 WeakPolarHBondContact CB-O 3.43Å; L767-I791 PolarHBondContact N-O 2.91Å; L767-I791 PolarHBondContact O-N 3.01Å; L767-V793 HydrophobicContact CD1-CG2 3.54Å; L767-V793 HydrophobicContact CG-CG2 4.13Å; L767-F918 HydrophobicContact CD1-CB 4.21Å; L767-K919 CarbonylContact C-O 3.47Å; L767-K919 WeakPolarHBondContact CA-O 3.36Å; L767-A920 HydrophobicContact CD2-CB 4.33Å; L767-L929 HydrophobicContact CD2-CD1 3.7Å |
| 768 | T | 92.4 | Very high | 77.9 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 23% | 0.233 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 144.1 | 158.2 | 37.5 | 0 | 0 | 0 | 0 | 110.5 | S789 M790 F918 K919 I921 | T768-S789 WeakPolarHBondContact CA-O 3.31Å; T768-M790 HydrophobicContact CG2-CE 4.22Å; T768-M790 HydrophobicContact CG2-CG 4.24Å; T768-F918 WeakPolarHBondContact O-CA 3.32Å; T768-K919 PolarHBondContact N-O 3.2Å; T768-K919 PolarHBondContact O-N 2.95Å; T768-K919 PolarHBondContact OG1-O 2.95Å; T768-I921 HydrophobicContact CG2-CD1 3.9Å; T768-I921 HydrophobicContact CG2-CG1 3.78Å |
| 769 | T | 88 | Confident | 76.4 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 8% | 0.08 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 130.7 | 164.6 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | I787 A788 S789 I791 L916 S917 F918 | T769-I787 HydrophobicContact CG2-CD1 4.3Å; T769-I787 HydrophobicContact CG2-CG2 4.29Å; T769-A788 VanDerWaalsContact CG2-O 3.26Å; T769-A788 WeakPolarHBondContact CG2-O 3.49Å; T769-S789 PolarHBondContact N-O 2.88Å; T769-S789 VanDerWaalsContact N-O 3.17Å; T769-S789 WeakPolarHBondContact OG1-CA 3.07Å; T769-I791 HydrophobicContact CG2-CD1 3.9Å; T769-L916 HydrophobicContact CG2-CD1 4.34Å; T769-S917 CarbonylContact C-O 3.55Å; T769-S917 WeakPolarHBondContact CA-O 3.47Å; T769-F918 HydrophobicContact CG2-CD1 3.92Å; T769-F918 HydrophobicContact CG2-CE1 3.61Å |
| 770 | E | 86.3 | Confident | 75.1 | Confident | 76 Ų | 76 | 66.1 Ų | 66.1 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 153.7 | 161.9 | -75.3 | -179.2 | -170.1 | 0 | 0 | 109.8 | L916 S917 K919 | E770-L916 CarbonylContact O-C 3.59Å; E770-S917 PolarHBondContact N-O 2.71Å; E770-S917 PolarHBondContact O-N 2.94Å; E770-K919 VanDerWaalsContact CD-CE 3.42Å; E770-K919 WeakPolarHBondContact OE1-CD 3.48Å; E770-K919 WeakPolarHBondContact OE1-CE 3.38Å; E770-K919 IonicContact OE1-NZ 3.97Å; E770-K919 PolarHBondContact OE1-NZ 3.02Å; E770-K919 WeakPolarHBondContact OE2-CE 3.44Å; E770-K919 IonicContact OE2-NZ 3.2Å; E770-K919 PolarHBondContact OE2-NZ 2.79Å |
| 771 | V | 78.7 | Confident | 73.7 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 114.7 | 173.9 | 177.8 | 0 | 0 | 0 | 0 | 107.5 | Y781 M914 L916 | V771-Y781 HydrophobicContact CB-CD1 4.5Å; V771-Y781 HydrophobicContact CG2-CD1 4.36Å; V771-Y781 HydrophobicContact CG2-CD2 4.25Å; V771-Y781 HydrophobicContact CG2-CG 4.11Å; V771-M914 HydrophobicContact CG1-CE 3.42Å; V771-M914 VanDerWaalsContact CG1-CE 3.42Å; V771-M914 HydrophobicContact CG1-CG 3.77Å; V771-M914 HydrophobicContact CG1-SD 3.53Å; V771-M914 VanDerWaalsContact CG1-SD 3.53Å; V771-L916 HydrophobicContact CG2-CD1 4.09Å |
| 772 | A | 74 | Confident | 72.3 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.8 | 167 | 0 | 0 | 0 | 0 | 0 | 108.5 | M915 | A772-M915 HydrophobicContact CB-CB 4.47Å; A772-M915 PolarHBondContact N-O 2.93Å; A772-M915 PolarHBondContact O-N 2.56Å |
| 773 | S | 67.9 | Low | 71.6 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 155.8 | -179.6 | 71.9 | 0 | 0 | 0 | 0 | 111.9 | L775 | S773-L775 PolarHBondContact O-N 3.45Å; S773-L775 VanDerWaalsContact OG-C 3.25Å; S773-L775 PolarHBondContact OG-N 2.97Å; S773-L775 PolarHBondContact OG-O 3.02Å |
| 774 | D | 58 | Low | 71.4 | Confident | 76 Ų | 76 | 55.4 Ų | 55.4 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -67.4 | -0.4 | 172.8 | -61.2 | -4.7 | 0 | 0 | 0 | 111.9 | S624 V913 | S624-D774 PolarHBondContact OG-OD2 2.91Å; D774-V913 PolarHBondContact N-O 2.92Å |
| 775 | L | 57.1 | Low | 71.2 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | trans | -126.9 | 64.5 | 177.6 | -86.4 | 79 | 0 | 0 | 0 | 111.9 | S773 K777 L778 L813 Y912 | S773-L775 PolarHBondContact O-N 3.45Å; S773-L775 VanDerWaalsContact OG-C 3.25Å; S773-L775 PolarHBondContact OG-N 2.97Å; S773-L775 PolarHBondContact OG-O 3.02Å; L775-K777 PolarHBondContact O-N 2.91Å; L775-L778 HydrophobicContact CB-CD1 3.93Å; L775-L778 HydrophobicContact CB-CG 4.22Å; L775-L778 HydrophobicContact CD2-CD1 3.84Å; L775-L778 HydrophobicContact CD2-CG 4.29Å; L775-L778 WeakPolarHBondContact O-CB 3.44Å; L775-L778 PolarHBondContact O-N 3.33Å; L775-L813 HydrophobicContact CD2-CD2 4.45Å; L775-Y912 HydrophobicContact CD1-CD1 3.73Å; L775-Y912 HydrophobicContact CD1-CE1 3.99Å; L775-Y912 HydrophobicContact CD2-CD1 3.88Å; L775-Y912 HydrophobicContact CD2-CE1 3.71Å; L775-Y912 HydrophobicContact CG-CD1 4.48Å | ||
| 776 | D | 54.5 | Low | 71.1 | Confident | 128 Ų | 128 | 54.9 Ų | 54.9 | 68% | 0.684 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -14.1 | 174.7 | -72.1 | -30.6 | 0 | 0 | 0 | 114.4 | L778 T779 | D776-L778 VanDerWaalsContact C-N 3.26Å; D776-L778 PolarHBondContact O-N 3.31Å; D776-T779 VanDerWaalsContact O-CG2 3.28Å; D776-T779 WeakPolarHBondContact O-CG2 3.31Å |
| 777 | K | 52.6 | Low | 70.9 | Confident | 123 Ų | 123 | 52.6 Ų | 52.6 | 54% | 0.535 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.2 | 167.8 | -80.1 | -163.3 | 162.4 | -150.6 | 0 | 114.4 | L775 T779 E819 | L775-K777 PolarHBondContact O-N 2.91Å; K777-T779 PolarHBondContact O-N 2.78Å; K777-E819 IonicContact NZ-OE2 2.77Å; K777-E819 PolarHBondContact NZ-OE2 3.13Å |
| 778 | L | 53.9 | Low | 70.7 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | trans | -76.4 | 51 | 173.8 | -71.1 | 171.4 | 0 | 0 | 0 | 111.3 | L775 D776 N780 W784 F809 L812 I816 | L775-L778 HydrophobicContact CB-CD1 3.93Å; L775-L778 HydrophobicContact CB-CG 4.22Å; L775-L778 HydrophobicContact CD2-CD1 3.84Å; L775-L778 HydrophobicContact CD2-CG 4.29Å; L775-L778 WeakPolarHBondContact O-CB 3.44Å; L775-L778 PolarHBondContact O-N 3.33Å; D776-L778 VanDerWaalsContact C-N 3.26Å; D776-L778 PolarHBondContact O-N 3.31Å; L778-N780 PolarHBondContact O-N 3.09Å; L778-W784 HydrophobicContact CD1-CZ2 4.42Å; L778-F809 HydrophobicContact CD1-CE2 4.46Å; L778-L812 HydrophobicContact CD2-CB 3.75Å; L778-L812 HydrophobicContact CD2-CD1 4.22Å; L778-L812 HydrophobicContact CD2-CD2 4.27Å; L778-L812 HydrophobicContact CD2-CG 4.32Å; L778-I816 HydrophobicContact CD2-CD1 3.59Å; L778-I816 HydrophobicContact CG-CD1 3.96Å | ||
| 779 | T | 48.9 | Very low | 70.3 | Confident | 125 Ų | 125 | 56.6 Ų | 56.6 | 77% | 0.767 | 31% | 0.309 | S | S | * | . | trans | -58.2 | -6 | -170.5 | 51.1 | 0 | 0 | 0 | 0 | 115.7 | D776 K777 | D776-T779 VanDerWaalsContact O-CG2 3.28Å; D776-T779 WeakPolarHBondContact O-CG2 3.31Å; K777-T779 PolarHBondContact O-N 2.78Å | ||
| 780 | N | 56.4 | Low | 70.4 | Confident | 101 Ų | 101 | 62 Ų | 62 | 54% | 0.54 | 34% | 0.335 | S | S | . | . | trans | -130.4 | 62.4 | -177.7 | -140 | -27.1 | 0 | 0 | 0 | 111.7 | L778 N782 A783 | L778-N780 PolarHBondContact O-N 3.09Å; N780-N782 PolarHBondContact O-N 3.49Å; N780-N782 VanDerWaalsContact O-N 3.1Å; N780-A783 WeakPolarHBondContact O-CB 3.41Å; N780-A783 PolarHBondContact O-N 2.9Å | ||
| 781 | Y | 58.3 | Low | 70.6 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -50.2 | -36.2 | -180 | 61.1 | -92.3 | 0 | 0 | 0 | 113.1 | V771 A783 W784 L785 | V771-Y781 HydrophobicContact CB-CD1 4.5Å; V771-Y781 HydrophobicContact CG2-CD1 4.36Å; V771-Y781 HydrophobicContact CG2-CD2 4.25Å; V771-Y781 HydrophobicContact CG2-CG 4.11Å; Y781-A783 PolarHBondContact O-N 3.41Å; Y781-W784 PolarHBondContact O-N 3.19Å; Y781-L785 CarbonylContact C-O 3.53Å; Y781-L785 PolarHBondContact O-N 2.8Å |
| 782 | N | 55.3 | Low | 71.1 | Confident | 88 Ų | 88 | 59.1 Ų | 59.1 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -51.3 | -16.9 | 173.5 | -64.4 | -55.7 | 0 | 0 | 0 | 114.6 | N780 | N780-N782 PolarHBondContact O-N 3.49Å; N780-N782 VanDerWaalsContact O-N 3.1Å |
| 783 | A | 71.2 | Confident | 71.8 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -66.6 | -52.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N780 Y781 R808 L812 | N780-A783 WeakPolarHBondContact O-CB 3.41Å; N780-A783 PolarHBondContact O-N 2.9Å; Y781-A783 PolarHBondContact O-N 3.41Å; A783-R808 HydrophobicContact CB-CG 4.3Å; A783-R808 VanDerWaalsContact O-CD 3.22Å; A783-R808 WeakPolarHBondContact O-CD 3.33Å; A783-R808 PolarHBondContact O-NH1 3.16Å; A783-L812 HydrophobicContact CB-CD1 4.08Å |
| 784 | W | 81.2 | Confident | 72.8 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 2% | 0.019 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -18.9 | -167.2 | 68.5 | -87.8 | 0 | 0 | 0 | 114.1 | L778 Y781 I804 D805 R808 F809 L812 M914 I936 | L778-W784 HydrophobicContact CD1-CZ2 4.42Å; Y781-W784 PolarHBondContact O-N 3.19Å; W784-I804 HydrophobicContact CE3-CG2 3.45Å; W784-I804 VanDerWaalsContact CE3-CG2 3.45Å; W784-I804 HydrophobicContact CZ3-CG2 3.6Å; W784-I804 CarbonylContact O-C 3.4Å; W784-I804 WeakPolarHBondContact O-CA 3.24Å; W784-I804 WeakPolarHBondContact O-CG2 3.14Å; W784-D805 PolarHBondContact O-N 2.81Å; W784-R808 HydrophobicContact CB-CB 4.14Å; W784-R808 HydrophobicContact CB-CG 4.44Å; W784-F809 HydrophobicContact CB-CB 4.22Å; W784-F809 HydrophobicContact CD2-CB 4.19Å; W784-F809 AromaticContact CD2-CD2 3.66Å; W784-F809 HydrophobicContact CD2-CD2 3.66Å; W784-F809 HydrophobicContact CD2-CG 4.37Å; W784-F809 AromaticContact CE2-CD2 3.77Å; W784-F809 HydrophobicContact CE3-CB 4.04Å; W784-F809 AromaticContact CE3-CD2 3.63Å; W784-F809 HydrophobicContact CE3-CD2 3.63Å; W784-F809 HydrophobicContact CE3-CE2 4.46Å; W784-F809 HydrophobicContact CE3-CG 4.13Å; W784-F809 HydrophobicContact CG-CB 4.3Å; W784-F809 HydrophobicContact CG-CD2 4.32Å; W784-F809 AromaticContact CH2-CD2 3.87Å; W784-F809 HydrophobicContact CH2-CD2 3.87Å; W784-F809 AromaticContact CH2-CE2 3.89Å; W784-F809 HydrophobicContact CH2-CE2 3.89Å; W784-F809 AromaticContact CZ2-CD2 3.86Å; W784-F809 HydrophobicContact CZ2-CD2 3.86Å; W784-F809 AromaticContact CZ2-CE2 3.96Å; W784-F809 HydrophobicContact CZ2-CE2 3.96Å; W784-F809 AromaticContact CZ3-CD2 3.75Å; W784-F809 HydrophobicContact CZ3-CD2 3.75Å; W784-F809 HydrophobicContact CZ3-CE2 4.15Å; W784-F809 HydrophobicContact CZ3-CG 4.43Å; W784-L812 HydrophobicContact CB-CD1 4.47Å; W784-L812 VanDerWaalsContact CD1-CD1 3.44Å; W784-L812 HydrophobicContact CG-CD1 4.22Å; W784-M914 HydrophobicContact CH2-CE 3.84Å; W784-M914 HydrophobicContact CH2-SD 4.01Å; W784-M914 HydrophobicContact CZ2-CE 3.47Å; W784-M914 VanDerWaalsContact CZ2-CE 3.47Å; W784-M914 HydrophobicContact CZ2-SD 4.19Å; W784-I936 HydrophobicContact CH2-CD1 4.23Å; W784-I936 HydrophobicContact CZ3-CD1 4Å |
| 785 | L | 85.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 117.3 | 174.4 | 176.4 | 64.2 | 0 | 0 | 0 | 109.2 | Y781 L802 I804 M914 I934 | Y781-L785 CarbonylContact C-O 3.53Å; Y781-L785 PolarHBondContact O-N 2.8Å; L785-L802 HydrophobicContact CD1-CD1 4.48Å; L785-L802 HydrophobicContact CD1-CD2 3.71Å; L785-L802 HydrophobicContact CD1-CG 4Å; L785-I804 HydrophobicContact CD1-CD1 4.41Å; L785-I804 HydrophobicContact CD1-CG1 3.91Å; L785-M914 HydrophobicContact CD2-SD 3.53Å; L785-M914 VanDerWaalsContact CD2-SD 3.53Å; L785-I934 HydrophobicContact CD1-CD1 4.22Å; L785-I934 HydrophobicContact CD2-CD1 4.17Å |
| 786 | Q | 87.8 | Confident | 75.1 | Confident | 91 Ų | 91 | 60.4 Ų | 60.4 | 43% | 0.425 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.3 | -178.2 | -59 | 175.2 | 5.6 | 0 | 0 | 110 | L802 V803 | Q786-L802 WeakPolarHBondContact O-CA 3.44Å; Q786-V803 HydrophobicContact CB-CB 4.26Å; Q786-V803 PolarHBondContact N-O 3.13Å; Q786-V803 PolarHBondContact O-N 2.89Å |
| 787 | I | 88.6 | Confident | 76.6 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | trans | -146.9 | 158.9 | 173.1 | -167.9 | 169.7 | 0 | 0 | 0 | 109.4 | T769 S789 I800 L802 L916 F918 | T769-I787 HydrophobicContact CG2-CD1 4.3Å; T769-I787 HydrophobicContact CG2-CG2 4.29Å; I787-S789 PolarHBondContact O-N 3.29Å; I787-I800 HydrophobicContact CD1-CG2 4.17Å; I787-I800 HydrophobicContact CG1-CG2 3.89Å; I787-L802 HydrophobicContact CD1-CD1 4.33Å; I787-L916 HydrophobicContact CD1-CD1 4.42Å; I787-L916 HydrophobicContact CD1-CD2 3.59Å; I787-L916 HydrophobicContact CG2-CD1 4.3Å; I787-F918 HydrophobicContact CD1-CE1 4.45Å; I787-F918 HydrophobicContact CD1-CZ 4.38Å | ||
| 788 | A | 87.3 | Confident | 78.5 | Confident | 43 Ų | 43 | 57.2 Ų | 57.2 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | trans | -65.2 | 127 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T769 I791 | T769-A788 VanDerWaalsContact CG2-O 3.26Å; T769-A788 WeakPolarHBondContact CG2-O 3.49Å; A788-I791 HydrophobicContact CB-CG1 4.05Å | ||
| 789 | S | 84.7 | Confident | 80.3 | Confident | 78 Ų | 78 | 61.3 Ų | 61.3 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -71.9 | -25.9 | -179.1 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | T768 T769 I787 | T768-S789 WeakPolarHBondContact CA-O 3.31Å; T769-S789 PolarHBondContact N-O 2.88Å; T769-S789 VanDerWaalsContact N-O 3.17Å; T769-S789 WeakPolarHBondContact OG1-CA 3.07Å; I787-S789 PolarHBondContact O-N 3.29Å |
| 790 | M | 89 | Confident | 82.3 | Confident | 126 Ų | 126 | 55.9 Ų | 55.9 | 62% | 0.621 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.8 | 174.4 | -73.5 | -172.8 | 175 | 0 | 0 | 111.2 | L767 T768 I921 | L767-M790 CarbonylContact O-C 3.51Å; L767-M790 VanDerWaalsContact O-CA 3.31Å; L767-M790 WeakPolarHBondContact O-CA 3.37Å; T768-M790 HydrophobicContact CG2-CE 4.22Å; T768-M790 HydrophobicContact CG2-CG 4.24Å; M790-I921 HydrophobicContact CE-CD1 3.83Å; M790-I921 HydrophobicContact CG-CD1 4.29Å; M790-I921 HydrophobicContact SD-CD1 4.06Å |
| 791 | I | 90.9 | Very high | 84 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 99.3 | -172.8 | -58.6 | 163.7 | 0 | 0 | 0 | 108.8 | M747 L767 T769 A788 V793 I800 F918 | M747-I791 HydrophobicContact SD-CG2 4.12Å; L767-I791 HydrophobicContact CB-CB 4.4Å; L767-I791 VanDerWaalsContact CB-O 3.31Å; L767-I791 WeakPolarHBondContact CB-O 3.43Å; L767-I791 PolarHBondContact N-O 2.91Å; L767-I791 PolarHBondContact O-N 3.01Å; T769-I791 HydrophobicContact CG2-CD1 3.9Å; A788-I791 HydrophobicContact CB-CG1 4.05Å; I791-V793 HydrophobicContact CG2-CG2 3.91Å; I791-I800 HydrophobicContact CD1-CD1 3.98Å; I791-I800 HydrophobicContact CD1-CG1 4.26Å; I791-I800 HydrophobicContact CD1-CG2 4.23Å; I791-I800 HydrophobicContact CG2-CD1 3.94Å; I791-I800 HydrophobicContact CG2-CG1 4.18Å; I791-F918 HydrophobicContact CD1-CD1 4.18Å; I791-F918 HydrophobicContact CD1-CE1 3.7Å |
| 792 | T | 90.1 | Very high | 85.6 | Confident | 53 Ų | 53 | 53.2 Ų | 53.2 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 134 | 160.9 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | E764 L765 H766 T794 R798 | E764-T792 HydrophobicContact CG-CG2 3.82Å; E764-T792 WeakPolarHBondContact OE1-CG2 3.34Å; L765-T792 CarbonylContact O-C 3.59Å; L765-T792 WeakPolarHBondContact O-CA 3.49Å; H766-T792 PolarHBondContact ND1-OG1 3.25Å; T792-T794 HydrophobicContact CG2-CG2 4.41Å; T792-R798 VanDerWaalsContact O-CD 3.23Å; T792-R798 WeakPolarHBondContact O-CD 3.29Å; T792-R798 PolarHBondContact O-NH1 3.45Å |
| 793 | V | 89 | Confident | 87.3 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.2 | 172.7 | -167.9 | 0 | 0 | 0 | 0 | 108.4 | M747 I749 E764 L765 L767 I791 | M747-V793 HydrophobicContact CG-CG1 4.36Å; M747-V793 HydrophobicContact CG-CG2 4.12Å; M747-V793 HydrophobicContact SD-CG2 3.42Å; M747-V793 WeakPolarHBondContact SD-CG2 3.38Å; I749-V793 HydrophobicContact CD1-CB 4.48Å; I749-V793 HydrophobicContact CD1-CG1 4.02Å; I749-V793 HydrophobicContact CG1-CG1 3.79Å; E764-V793 WeakPolarHBondContact CA-O 3.45Å; L765-V793 PolarHBondContact N-O 2.86Å; L765-V793 PolarHBondContact O-N 2.86Å; L767-V793 HydrophobicContact CD1-CG2 3.54Å; L767-V793 HydrophobicContact CG-CG2 4.13Å; I791-V793 HydrophobicContact CG2-CG2 3.91Å |
| 794 | T | 88.9 | Confident | 88.1 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 29% | 0.288 | 28% | 0.277 | S | S | . | . | trans | -126 | -166.7 | 178.4 | 63.8 | 0 | 0 | 0 | 0 | 109.5 | I749 M763 E764 T792 T796 | I749-T794 WeakPolarHBondContact CD1-O 3.16Å; M763-T794 WeakPolarHBondContact O-CA 3.48Å; E764-T794 HydrophobicContact CG-CG2 4.17Å; T792-T794 HydrophobicContact CG2-CG2 4.41Å; T794-T796 PolarHBondContact O-N 2.75Å; T794-T796 VanDerWaalsContact O-N 3.09Å; T794-T796 PolarHBondContact OG1-N 3.36Å; T794-T796 PolarHBondContact OG1-OG1 3.37Å | ||
| 795 | S | 80.4 | Confident | 88.4 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -65.3 | -2.5 | 172.8 | 77.1 | 0 | 0 | 0 | 0 | 115.3 | R760 | R760-S795 WeakPolarHBondContact O-CB 3.45Š|
| 796 | T | 83 | Confident | 88.1 | Confident | 84 Ų | 84 | 50.3 Ų | 50.3 | 52% | 0.515 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -105.4 | 139 | 175.2 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | T794 | T794-T796 PolarHBondContact O-N 2.75Å; T794-T796 VanDerWaalsContact O-N 3.09Å; T794-T796 PolarHBondContact OG1-N 3.36Å; T794-T796 PolarHBondContact OG1-OG1 3.37Å |
| 797 | P | 86.1 | Confident | 87.7 | Confident | 83 Ų | 83 | 47.1 Ų | 47.1 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | trans | -54.7 | 139.6 | 173.4 | -22.4 | 30.6 | 0 | 0 | 0 | 112 | M747 N748 | M747-P797 WeakPolarHBondContact O-CA 3.11Å; N748-P797 HydrophobicContact CB-CB 4.24Å; N748-P797 HydrophobicContact CB-CG 4.32Å; N748-P797 WeakPolarHBondContact OD1-CG 3.5Å | ||
| 798 | R | 90.9 | Very high | 87.3 | Confident | 101 Ų | 101 | 51.1 Ų | 51.1 | 38% | 0.381 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 125.7 | 178.1 | -175.9 | 176.7 | 178.9 | -169.5 | -2.7 | 111 | M747 T792 | M747-R798 PolarHBondContact N-O 2.7Å; M747-R798 PolarHBondContact O-N 3.02Å; T792-R798 VanDerWaalsContact O-CD 3.23Å; T792-R798 WeakPolarHBondContact O-CD 3.29Å; T792-R798 PolarHBondContact O-NH1 3.45Å |
| 799 | D | 92.4 | Very high | 86.9 | Confident | 105 Ų | 105 | 49.2 Ų | 49.2 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 137.4 | 172.7 | -70.3 | -13.5 | 0 | 0 | 0 | 111.4 | T744 V745 S746 | T744-D799 HydrophobicContact CG2-CB 3.76Å; V745-D799 CarbonylContact O-C 3.57Å; V745-D799 WeakPolarHBondContact O-CA 3.36Å; S746-D799 WeakPolarHBondContact CA-OD1 3.37Å; S746-D799 WeakPolarHBondContact CB-OD1 3.49Å; S746-D799 PolarHBondContact OG-OD1 2.68Å |
| 800 | I | 91.4 | Very high | 86.4 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128.4 | -179 | -57.4 | 138.5 | 0 | 0 | 0 | 107.9 | V745 M747 I787 I791 | V745-I800 HydrophobicContact CB-CB 4.34Å; V745-I800 HydrophobicContact CG1-CD1 4.38Å; V745-I800 PolarHBondContact N-O 3.3Å; V745-I800 PolarHBondContact O-N 2.72Å; M747-I800 HydrophobicContact CB-CD1 3.77Å; M747-I800 HydrophobicContact CE-CD1 3.64Å; M747-I800 HydrophobicContact CG-CD1 4.42Å; M747-I800 HydrophobicContact SD-CD1 3.8Å; I787-I800 HydrophobicContact CD1-CG2 4.17Å; I787-I800 HydrophobicContact CG1-CG2 3.89Å; I791-I800 HydrophobicContact CD1-CD1 3.98Å; I791-I800 HydrophobicContact CD1-CG1 4.26Å; I791-I800 HydrophobicContact CD1-CG2 4.23Å; I791-I800 HydrophobicContact CG2-CD1 3.94Å; I791-I800 HydrophobicContact CG2-CG1 4.18Å |
| 801 | N | 91.8 | Very high | 85.8 | Confident | 113 Ų | 113 | 45.9 Ų | 45.9 | 60% | 0.604 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 126.8 | 172.1 | -70.6 | -60.6 | 0 | 0 | 0 | 110 | ||
| 802 | L | 91.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124 | 169 | -176.2 | 163.4 | 0 | 0 | 0 | 107.1 | I719 Y743 V745 L785 Q786 I787 I804 L916 I934 | I719-L802 HydrophobicContact CD1-CD1 4.12Å; I719-L802 HydrophobicContact CD1-CD2 4.09Å; Y743-L802 HydrophobicContact CD2-CD2 4.23Å; Y743-L802 PolarHBondContact N-O 3.15Å; Y743-L802 PolarHBondContact O-N 3.11Å; V745-L802 HydrophobicContact CG2-CB 4.13Å; V745-L802 HydrophobicContact CG2-CD1 4.08Å; L785-L802 HydrophobicContact CD1-CD1 4.48Å; L785-L802 HydrophobicContact CD1-CD2 3.71Å; L785-L802 HydrophobicContact CD1-CG 4Å; Q786-L802 WeakPolarHBondContact O-CA 3.44Å; I787-L802 HydrophobicContact CD1-CD1 4.33Å; L802-I804 HydrophobicContact CD2-CD1 3.74Å; L802-I804 HydrophobicContact CD2-CG1 3.44Å; L802-I804 VanDerWaalsContact CD2-CG1 3.44Å; L802-L916 HydrophobicContact CD1-CD2 3.86Å; L802-I934 HydrophobicContact CD1-CD1 4.34Å |
| 803 | V | 90.8 | Very high | 84 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 135.8 | 178.3 | -170.5 | 0 | 0 | 0 | 0 | 109.3 | L740 L741 R742 Q786 | L740-V803 HydrophobicContact CB-CG1 4.23Å; L741-V803 WeakPolarHBondContact O-CA 3.43Å; R742-V803 HydrophobicContact CG-CG1 4.14Å; R742-V803 HydrophobicContact CG-CG2 4.13Å; Q786-V803 HydrophobicContact CB-CB 4.26Å; Q786-V803 PolarHBondContact N-O 3.13Å; Q786-V803 PolarHBondContact O-N 2.89Å |
| 804 | I | 87.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.1 | 175.3 | -32.3 | 178.4 | 0 | 0 | 0 | 109.3 | W725 L741 Y743 W784 L785 L802 P806 I934 | W725-I804 HydrophobicContact CH2-CB 3.62Å; W725-I804 HydrophobicContact CH2-CD1 3.67Å; W725-I804 HydrophobicContact CH2-CG1 4.18Å; W725-I804 HydrophobicContact CH2-CG2 3.54Å; W725-I804 HydrophobicContact CZ2-CB 4.4Å; W725-I804 HydrophobicContact CZ2-CD1 4.15Å; W725-I804 HydrophobicContact CZ3-CB 4.43Å; W725-I804 HydrophobicContact CZ3-CG2 3.92Å; L741-I804 PolarHBondContact N-O 2.93Å; L741-I804 PolarHBondContact O-N 3.44Å; Y743-I804 HydrophobicContact CD2-CD1 4.27Å; Y743-I804 HydrophobicContact CD2-CG1 4.42Å; Y743-I804 HydrophobicContact CE2-CD1 4.13Å; Y743-I804 HydrophobicContact CE2-CG1 4.49Å; W784-I804 HydrophobicContact CE3-CG2 3.45Å; W784-I804 VanDerWaalsContact CE3-CG2 3.45Å; W784-I804 HydrophobicContact CZ3-CG2 3.6Å; W784-I804 CarbonylContact O-C 3.4Å; W784-I804 WeakPolarHBondContact O-CA 3.24Å; W784-I804 WeakPolarHBondContact O-CG2 3.14Å; L785-I804 HydrophobicContact CD1-CD1 4.41Å; L785-I804 HydrophobicContact CD1-CG1 3.91Å; L802-I804 HydrophobicContact CD2-CD1 3.74Å; L802-I804 HydrophobicContact CD2-CG1 3.44Å; L802-I804 VanDerWaalsContact CD2-CG1 3.44Å; I804-P806 WeakPolarHBondContact O-CD 3.23Å; I804-I934 HydrophobicContact CD1-CG2 4.45Å |
| 805 | D | 86.8 | Confident | 81.8 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | trans | -107.1 | 101.9 | 177.7 | -175.6 | -4.5 | 0 | 0 | 0 | 110.6 | L740 W784 N807 R808 F809 | L740-D805 HydrophobicContact CD2-CB 3.5Å; W784-D805 PolarHBondContact O-N 2.81Å; D805-N807 PolarHBondContact O-N 3.45Å; D805-N807 VanDerWaalsContact OD1-CB 3.3Å; D805-N807 WeakPolarHBondContact OD1-CB 3.49Å; D805-N807 PolarHBondContact OD1-N 3.18Å; D805-N807 PolarHBondContact OD1-ND2 3.47Å; D805-R808 HydrophobicContact CB-CB 4.19Å; D805-R808 PolarHBondContact O-N 2.88Å; D805-R808 PolarHBondContact OD1-N 3.01Å; D805-R808 WeakPolarHBondContact OD2-CB 3.15Å; D805-F809 PolarHBondContact O-N 2.86Å; D805-F809 VanDerWaalsContact O-N 3.11Å | ||
| 806 | P | 80.4 | Confident | 81 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -28.3 | 178.8 | -21.4 | 33.9 | 0 | 0 | 0 | 112.9 | W725 L738 L741 I804 N810 | W725-P806 HydrophobicContact CD2-CG 4.3Å; W725-P806 HydrophobicContact CE3-CB 4.17Å; W725-P806 HydrophobicContact CE3-CG 4.1Å; W725-P806 HydrophobicContact CZ3-CG 4.32Å; W725-P806 WeakPolarHBondContact O-CB 3.38Å; L738-P806 HydrophobicContact CB-CB 4.39Å; L738-P806 HydrophobicContact CD1-CB 3.72Å; L738-P806 HydrophobicContact CD1-CG 4.44Å; L741-P806 HydrophobicContact CD1-CG 3.81Å; L741-P806 HydrophobicContact CG-CG 4.28Å; I804-P806 WeakPolarHBondContact O-CD 3.23Å; P806-N810 WeakPolarHBondContact O-CB 2.98Å; P806-N810 VanDerWaalsContact O-CG 3.3Å; P806-N810 PolarHBondContact O-N 2.94Å; P806-N810 PolarHBondContact O-ND2 2.92Å |
| 807 | N | 78.8 | Confident | 79.7 | Confident | 24 Ų | 24 | 51.7 Ų | 51.7 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -46.4 | -178.7 | -49.9 | -85.5 | 0 | 0 | 0 | 110.2 | L727 L738 D805 N810 Q811 | L727-N807 HydrophobicContact CD1-CB 4.19Å; L738-N807 PolarHBondContact N-OD1 3.38Å; L738-N807 PolarHBondContact O-ND2 2.88Å; D805-N807 PolarHBondContact O-N 3.45Å; D805-N807 VanDerWaalsContact OD1-CB 3.3Å; D805-N807 WeakPolarHBondContact OD1-CB 3.49Å; D805-N807 PolarHBondContact OD1-N 3.18Å; D805-N807 PolarHBondContact OD1-ND2 3.47Å; N807-N810 PolarHBondContact O-N 3.21Å; N807-Q811 WeakPolarHBondContact O-CG 3.38Å; N807-Q811 PolarHBondContact O-N 2.85Å |
| 808 | R | 80.3 | Confident | 77.7 | Confident | 110 Ų | 110 | 54.8 Ų | 54.8 | 42% | 0.415 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -77.7 | -29.8 | -176.6 | -161.3 | 150.9 | 175.9 | -145.4 | 7.8 | 113.1 | A783 W784 D805 Q811 L812 | A783-R808 HydrophobicContact CB-CG 4.3Å; A783-R808 VanDerWaalsContact O-CD 3.22Å; A783-R808 WeakPolarHBondContact O-CD 3.33Å; A783-R808 PolarHBondContact O-NH1 3.16Å; W784-R808 HydrophobicContact CB-CB 4.14Å; W784-R808 HydrophobicContact CB-CG 4.44Å; D805-R808 HydrophobicContact CB-CB 4.19Å; D805-R808 PolarHBondContact O-N 2.88Å; D805-R808 PolarHBondContact OD1-N 3.01Å; D805-R808 WeakPolarHBondContact OD2-CB 3.15Å; R808-Q811 PolarHBondContact O-N 3.33Å; R808-L812 PolarHBondContact O-N 2.61Å; R808-L812 VanDerWaalsContact O-N 3.17Å |
| 809 | F | 79.7 | Confident | 75.2 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -44 | 166.5 | -178.7 | -106.9 | 0 | 0 | 0 | 111.7 | L778 W784 D805 Q811 L812 L813 Y912 I936 M938 | L778-F809 HydrophobicContact CD1-CE2 4.46Å; W784-F809 HydrophobicContact CB-CB 4.22Å; W784-F809 HydrophobicContact CD2-CB 4.19Å; W784-F809 AromaticContact CD2-CD2 3.66Å; W784-F809 HydrophobicContact CD2-CD2 3.66Å; W784-F809 HydrophobicContact CD2-CG 4.37Å; W784-F809 AromaticContact CE2-CD2 3.77Å; W784-F809 HydrophobicContact CE3-CB 4.04Å; W784-F809 AromaticContact CE3-CD2 3.63Å; W784-F809 HydrophobicContact CE3-CD2 3.63Å; W784-F809 HydrophobicContact CE3-CE2 4.46Å; W784-F809 HydrophobicContact CE3-CG 4.13Å; W784-F809 HydrophobicContact CG-CB 4.3Å; W784-F809 HydrophobicContact CG-CD2 4.32Å; W784-F809 AromaticContact CH2-CD2 3.87Å; W784-F809 HydrophobicContact CH2-CD2 3.87Å; W784-F809 AromaticContact CH2-CE2 3.89Å; W784-F809 HydrophobicContact CH2-CE2 3.89Å; W784-F809 AromaticContact CZ2-CD2 3.86Å; W784-F809 HydrophobicContact CZ2-CD2 3.86Å; W784-F809 AromaticContact CZ2-CE2 3.96Å; W784-F809 HydrophobicContact CZ2-CE2 3.96Å; W784-F809 AromaticContact CZ3-CD2 3.75Å; W784-F809 HydrophobicContact CZ3-CD2 3.75Å; W784-F809 HydrophobicContact CZ3-CE2 4.15Å; W784-F809 HydrophobicContact CZ3-CG 4.43Å; D805-F809 PolarHBondContact O-N 2.86Å; D805-F809 VanDerWaalsContact O-N 3.11Å; F809-Q811 PolarHBondContact O-N 2.81Å; F809-L812 PolarHBondContact O-N 2.93Å; F809-L813 HydrophobicContact CD1-CD1 3.96Å; F809-L813 HydrophobicContact CE1-CD1 3.48Å; F809-L813 VanDerWaalsContact CE1-CD1 3.48Å; F809-L813 HydrophobicContact CE1-CG 4.43Å; F809-L813 HydrophobicContact CZ-CD1 3.8Å; F809-L813 HydrophobicContact CZ-CG 4.43Å; F809-L813 PolarHBondContact O-N 2.97Å; F809-L813 VanDerWaalsContact O-N 3.12Å; F809-Y912 HydrophobicContact CZ-CD1 4.49Å; F809-Y912 HydrophobicContact CZ-CD2 4.46Å; F809-Y912 HydrophobicContact CZ-CG 4.2Å; F809-I936 HydrophobicContact CE1-CD1 4.09Å; F809-I936 HydrophobicContact CE1-CG2 4.03Å; F809-I936 HydrophobicContact CE2-CD1 4.12Å; F809-I936 HydrophobicContact CZ-CD1 3.85Å; F809-I936 HydrophobicContact CZ-CG2 4.43Å; F809-M938 HydrophobicContact CE1-SD 4.2Å |
| 810 | N | 74.7 | Confident | 72.7 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 176.1 | -77.4 | -53.8 | 0 | 0 | 0 | 112.7 | P806 N807 L813 C814 M938 | P806-N810 WeakPolarHBondContact O-CB 2.98Å; P806-N810 VanDerWaalsContact O-CG 3.3Å; P806-N810 PolarHBondContact O-N 2.94Å; P806-N810 PolarHBondContact O-ND2 2.92Å; N807-N810 PolarHBondContact O-N 3.21Å; N810-L813 PolarHBondContact O-N 3.49Å; N810-C814 PolarHBondContact O-N 3Å; N810-C814 VanDerWaalsContact O-N 3.12Å; N810-C814 PolarHBondContact O-SG 2.88Å; N810-M938 WeakPolarHBondContact OD1-CE 3.28Å |
| 811 | Q | 75 | Confident | 69.6 | Low | 112 Ų | 112 | 60.2 Ų | 60.2 | 52% | 0.523 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.9 | -51.4 | 175.1 | -74.3 | 170.7 | -29.7 | 0 | 0 | 112.1 | N807 R808 F809 L813 C814 E815 | N807-Q811 WeakPolarHBondContact O-CG 3.38Å; N807-Q811 PolarHBondContact O-N 2.85Å; R808-Q811 PolarHBondContact O-N 3.33Å; F809-Q811 PolarHBondContact O-N 2.81Å; Q811-L813 PolarHBondContact O-N 3.41Å; Q811-C814 WeakPolarHBondContact O-CB 3.48Å; Q811-C814 PolarHBondContact O-N 3.41Å; Q811-E815 WeakPolarHBondContact O-CG 3.12Å; Q811-E815 PolarHBondContact O-N 3.47Å |
| 812 | L | 72.8 | Confident | 66.7 | Low | 33 Ų | 33 | 59.9 Ų | 59.9 | 17% | 0.173 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -34.1 | 177.2 | -79 | 158.3 | 0 | 0 | 0 | 112.8 | L778 A783 W784 R808 F809 E815 I816 | L778-L812 HydrophobicContact CD2-CB 3.75Å; L778-L812 HydrophobicContact CD2-CD1 4.22Å; L778-L812 HydrophobicContact CD2-CD2 4.27Å; L778-L812 HydrophobicContact CD2-CG 4.32Å; A783-L812 HydrophobicContact CB-CD1 4.08Å; W784-L812 HydrophobicContact CB-CD1 4.47Å; W784-L812 VanDerWaalsContact CD1-CD1 3.44Å; W784-L812 HydrophobicContact CG-CD1 4.22Å; R808-L812 PolarHBondContact O-N 2.61Å; R808-L812 VanDerWaalsContact O-N 3.17Å; F809-L812 PolarHBondContact O-N 2.93Å; L812-E815 WeakPolarHBondContact CD2-OE2 3.21Å; L812-E815 PolarHBondContact O-N 3.36Å; L812-I816 VanDerWaalsContact O-CG1 3.32Å; L812-I816 WeakPolarHBondContact O-CG1 3.24Å; L812-I816 PolarHBondContact O-N 3.05Å |
| 813 | L | 70.1 | Confident | 63.5 | Low | 13 Ų | 13 | 65.6 Ų | 65.6 | 7% | 0.068 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.4 | -33.4 | 173.6 | -76.8 | 175.8 | 0 | 0 | 0 | 113 | L775 F809 N810 Q811 N817 Y912 M938 | L775-L813 HydrophobicContact CD2-CD2 4.45Å; F809-L813 HydrophobicContact CD1-CD1 3.96Å; F809-L813 HydrophobicContact CE1-CD1 3.48Å; F809-L813 VanDerWaalsContact CE1-CD1 3.48Å; F809-L813 HydrophobicContact CE1-CG 4.43Å; F809-L813 HydrophobicContact CZ-CD1 3.8Å; F809-L813 HydrophobicContact CZ-CG 4.43Å; F809-L813 PolarHBondContact O-N 2.97Å; F809-L813 VanDerWaalsContact O-N 3.12Å; N810-L813 PolarHBondContact O-N 3.49Å; Q811-L813 PolarHBondContact O-N 3.41Å; L813-N817 PolarHBondContact O-N 3.45Å; L813-N817 PolarHBondContact O-ND2 2.87Å; L813-Y912 HydrophobicContact CD2-CE1 3.72Å; L813-M938 HydrophobicContact CD1-CE 3.74Å |
| 814 | C | 67.2 | Low | 60.5 | Low | 79 Ų | 79 | 71.3 Ų | 71.3 | 53% | 0.534 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.4 | -48.7 | 171.3 | -69.2 | 0 | 0 | 0 | 0 | 110.9 | N810 Q811 I816 N817 E818 | N810-C814 PolarHBondContact O-N 3Å; N810-C814 VanDerWaalsContact O-N 3.12Å; N810-C814 PolarHBondContact O-SG 2.88Å; Q811-C814 WeakPolarHBondContact O-CB 3.48Å; Q811-C814 PolarHBondContact O-N 3.41Å; C814-I816 PolarHBondContact O-N 3.06Å; C814-N817 PolarHBondContact O-N 3.43Å; C814-N817 VanDerWaalsContact O-N 3.08Å; C814-E818 PolarHBondContact O-N 2.9Å |
| 815 | E | 66.2 | Low | 57.8 | Low | 110 Ų | 110 | 78.2 Ų | 78.2 | 51% | 0.514 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.1 | -46.8 | 179.2 | -67.6 | 163.4 | -173 | 0 | 0 | 111.9 | Q811 L812 N817 E818 E819 | Q811-E815 WeakPolarHBondContact O-CG 3.12Å; Q811-E815 PolarHBondContact O-N 3.47Å; L812-E815 WeakPolarHBondContact CD2-OE2 3.21Å; L812-E815 PolarHBondContact O-N 3.36Å; E815-N817 VanDerWaalsContact C-N 3.35Å; E815-N817 PolarHBondContact O-N 3.01Å; E815-E818 PolarHBondContact O-N 3.31Å; E815-E819 PolarHBondContact O-N 2.81Å; E815-E819 VanDerWaalsContact O-N 3.09Å |
| 816 | I | 63.2 | Low | 55 | Low | 25 Ų | 25 | 85.8 Ų | 85.8 | 13% | 0.128 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 177.5 | -70.4 | 168.3 | 0 | 0 | 0 | 112.6 | L778 L812 C814 I820 | L778-I816 HydrophobicContact CD2-CD1 3.59Å; L778-I816 HydrophobicContact CG-CD1 3.96Å; L812-I816 VanDerWaalsContact O-CG1 3.32Å; L812-I816 WeakPolarHBondContact O-CG1 3.24Å; L812-I816 PolarHBondContact O-N 3.05Å; C814-I816 PolarHBondContact O-N 3.06Å; I816-I820 HydrophobicContact CG2-CD1 3.84Å; I816-I820 WeakPolarHBondContact O-CD1 3.39Å; I816-I820 VanDerWaalsContact O-CG1 3.28Å; I816-I820 WeakPolarHBondContact O-CG1 3.24Å; I816-I820 PolarHBondContact O-N 2.93Å |
| 817 | N | 56.2 | Low | 52.5 | Low | 102 Ų | 102 | 96.9 Ų | 96.9 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.4 | -27.8 | 178.1 | -78.8 | -65.3 | 0 | 0 | 0 | 112.5 | L813 C814 E815 S821 | L813-N817 PolarHBondContact O-N 3.45Å; L813-N817 PolarHBondContact O-ND2 2.87Å; C814-N817 PolarHBondContact O-N 3.43Å; C814-N817 VanDerWaalsContact O-N 3.08Å; E815-N817 VanDerWaalsContact C-N 3.35Å; E815-N817 PolarHBondContact O-N 3.01Å; N817-S821 PolarHBondContact O-OG 3.1Å |
| 818 | E | 43.2 | Very low | 50.1 | Low | 148 Ų | 148 | 100.8 Ų | 100.8 | 69% | 0.692 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.5 | -43.5 | 172 | -69.7 | -175.7 | -178.4 | 0 | 0 | 111.3 | C814 E815 I820 S821 | C814-E818 PolarHBondContact O-N 2.9Å; E815-E818 PolarHBondContact O-N 3.31Å; E818-I820 PolarHBondContact O-N 3Å; E818-S821 WeakPolarHBondContact O-CB 3.47Å; E818-S821 PolarHBondContact O-N 3.06Å; E818-S821 VanDerWaalsContact O-N 3.14Å |
| 819 | E | 38.9 | Very low | 47.5 | Very low | 137 Ų | 137 | 100.9 Ų | 100.9 | 64% | 0.64 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.3 | -30.3 | 174.5 | -77.2 | -162.4 | 161.1 | 0 | 0 | 114.4 | K777 E815 S821 | K777-E819 IonicContact NZ-OE2 2.77Å; K777-E819 PolarHBondContact NZ-OE2 3.13Å; E815-E819 PolarHBondContact O-N 2.81Å; E815-E819 VanDerWaalsContact O-N 3.09Å; E819-S821 PolarHBondContact O-N 3.33Å |
| 820 | I | 40 | Very low | 45.1 | Very low | 109 Ų | 109 | 106.5 Ų | 106.5 | 56% | 0.559 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -1.9 | -176.6 | -68.3 | 168.5 | 0 | 0 | 0 | 111.8 | I816 E818 P822 | I816-I820 HydrophobicContact CG2-CD1 3.84Å; I816-I820 WeakPolarHBondContact O-CD1 3.39Å; I816-I820 VanDerWaalsContact O-CG1 3.28Å; I816-I820 WeakPolarHBondContact O-CG1 3.24Å; I816-I820 PolarHBondContact O-N 2.93Å; E818-I820 PolarHBondContact O-N 3Å; I820-P822 WeakPolarHBondContact O-CD 3.45Å |
| 821 | S | 26.4 | Very low | 43 | Very low | 85 Ų | 85 | 111.6 Ų | 111.6 | 59% | 0.594 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -85.2 | 104.8 | 172.8 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | N817 E818 E819 S823 | N817-S821 PolarHBondContact O-OG 3.1Å; E818-S821 WeakPolarHBondContact O-CB 3.47Å; E818-S821 PolarHBondContact O-N 3.06Å; E818-S821 VanDerWaalsContact O-N 3.14Å; E819-S821 PolarHBondContact O-N 3.33Å; S821-S823 PolarHBondContact O-N 3.24Å |
| 822 | P | 30.4 | Very low | 40.7 | Very low | 106 Ų | 106 | 116.1 Ų | 116.1 | 69% | 0.688 | 62% | 0.621 | S | S | * | * | trans | -67.7 | 123.6 | -176.6 | 27.9 | -34.8 | 0 | 0 | 0 | 111 | I820 N824 | I820-P822 WeakPolarHBondContact O-CD 3.45Å; P822-N824 VanDerWaalsContact C-N 3.3Å; P822-N824 PolarHBondContact O-N 3.04Å | ||
| 823 | S | 25 | Very low | 38.4 | Very low | 119 Ų | 119 | 124 Ų | 124 | 83% | 0.832 | 65% | 0.654 | S | S | * | * | trans | -78 | 74.9 | 178 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | S821 | S821-S823 PolarHBondContact O-N 3.24Š| ||
| 824 | N | 28 | Very low | 36.3 | Very low | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | -123.8 | 133.3 | 169.4 | -87 | 9.7 | 0 | 0 | 0 | 112.3 | P822 | P822-N824 VanDerWaalsContact C-N 3.3Å; P822-N824 PolarHBondContact O-N 3.04Å | ||
| 825 | D | 29.7 | Very low | 34.3 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 69% | 0.689 | S | S | * | * | trans | 70.4 | 120.4 | 147.8 | -50.9 | -28.6 | 0 | 0 | 0 | 122.2 | Y827 | D825-Y827 PolarHBondContact O-N 3.17Å; D825-Y827 VanDerWaalsContact O-N 3.14Å | ||
| 826 | E | 28.6 | Very low | 32.4 | Very low | 188 Ų | 188 | 137.9 Ų | 137.9 | 88% | 0.879 | 71% | 0.71 | S | S | * | * | trans | -61.9 | 88.6 | 174.9 | -54.1 | 171.9 | 108.6 | 0 | 0 | 113.6 | ||||
| 827 | Y | 27.9 | Very low | 30.5 | Very low | 233 Ų | 233 | 141.7 Ų | 141.7 | 91% | 0.914 | 74% | 0.739 | S | S | * | * | trans | -151.2 | 30.7 | 165.7 | -108.4 | -60.8 | 0 | 0 | 0 | 119.4 | D825 | D825-Y827 PolarHBondContact O-N 3.17Å; D825-Y827 VanDerWaalsContact O-N 3.14Å | ||
| 828 | D | 28.4 | Very low | 29 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 57% | 0.572 | 75% | 0.751 | S | S | * | * | trans | -148.5 | 92.4 | 155.9 | -162.5 | -11.1 | 0 | 0 | 0 | 114.4 | T830 I831 | D828-T830 PolarHBondContact OD1-N 3.01Å; D828-I831 PolarHBondContact OD1-N 3.42Å | ||
| 829 | A | 26.5 | Very low | 28.2 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 93% | 0.926 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -88.9 | 4.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 830 | T | 28.7 | Very low | 27.5 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -122 | -23.6 | -157.3 | -17.8 | 0 | 0 | 0 | 0 | 115.8 | D828 | D828-T830 PolarHBondContact OD1-N 3.01Š|
| 831 | I | 29.9 | Very low | 26.8 | Very low | 129 Ų | 129 | 147 Ų | 147 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -121.5 | 36.1 | -171.8 | -34.7 | -174.8 | 0 | 0 | 0 | 114.2 | D828 | D828-I831 PolarHBondContact OD1-N 3.42Š|
| 832 | K | 27.3 | Very low | 26.9 | Very low | 207 Ų | 207 | 151.3 Ų | 151.3 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -131.6 | 39.5 | 171.6 | -76.8 | -172.3 | 177.2 | 173.7 | 0 | 114.7 | ||
| 833 | K | 25.4 | Very low | 26.8 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -125.8 | 12.8 | -178.2 | -115.3 | 174.7 | -174.9 | 170.6 | 0 | 116.8 | ||
| 834 | T | 25 | Very low | 26.9 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -130.7 | 45.2 | -170.7 | 44.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 835 | Q | 26 | Very low | 26.7 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -151.6 | 20.2 | 168.9 | -124.5 | 161.5 | 61 | 0 | 0 | 118.1 | F901 | Q835-F901 HydrophobicContact CG-CE1 4.11Å; Q835-F901 HydrophobicContact CG-CZ 4.25Å |
| 836 | Y | 26.2 | Very low | 26.7 | Very low | 241 Ų | 241 | 151.7 Ų | 151.7 | 95% | 0.945 | 80% | 0.797 | S | S | * | * | trans | -138.7 | 74.6 | 169.5 | -84.4 | -76.8 | 0 | 0 | 0 | 111.6 | ||||
| 837 | S | 22.3 | Very low | 26.4 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -152.6 | 53.2 | -176.3 | 64.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 838 | C | 24.9 | Very low | 26.5 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -173.1 | 132.3 | 153.3 | -101.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 839 | N | 25.8 | Very low | 26.5 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | S | Bend | cis | -131.1 | 132.8 | 9 | -66.6 | -51 | 0 | 0 | 0 | 111.4 | ||
| 840 | K | 24.4 | Very low | 26.4 | Very low | 216 Ų | 216 | 151.9 Ų | 151.9 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | trans | -166.1 | 90 | 148.4 | -116.8 | 170.2 | -176 | 175.8 | 0 | 113.6 | ||||
| 841 | C | 26.2 | Very low | 26.3 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -144 | 141.5 | 157 | -77.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 842 | L | 27.6 | Very low | 26.1 | Very low | 176 Ų | 176 | 151.2 Ų | 151.2 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | cis | -121.7 | 166.6 | 4 | -66.6 | 84.8 | 0 | 0 | 0 | 109.4 | ||||
| 843 | G | 28.9 | Very low | 26 | Very low | 62 Ų | 62 | 147.5 Ų | 147.5 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | cis | 166.7 | -163.8 | -6.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 844 | T | 26.9 | Very low | 26 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 61.1 | 104.6 | 166.4 | 54.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 845 | N | 24.9 | Very low | 26 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | 107.7 | 128.9 | 117.5 | -76.7 | -20.7 | 0 | 0 | 0 | 122.6 | |||||
| 846 | K | 28.9 | Very low | 26 | Very low | 179 Ų | 179 | 150.4 Ų | 150.4 | 78% | 0.778 | 81% | 0.809 | S | S | * | * | trans | 83.1 | 96.1 | 150 | -69.8 | 174.3 | -178.8 | -177 | 0 | 120.5 | ||||
| 847 | N | 23.4 | Very low | 25.9 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | 39.2 | 121.6 | 118.4 | -54.7 | 6.7 | 0 | 0 | 0 | 120.2 | |||||
| 848 | H | 30 | Very low | 26.3 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | 164.5 | 154.8 | 126.9 | -93.5 | -74.3 | 0 | 0 | 0 | 109 | |||||
| 849 | S | 28.4 | Very low | 26.3 | Very low | 96 Ų | 96 | 148.9 Ų | 148.9 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | cis | -169.7 | 135.3 | -46.6 | 44.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 850 | K | 24.2 | Very low | 26.3 | Very low | 219 Ų | 219 | 147.3 Ų | 147.3 | 95% | 0.952 | 80% | 0.803 | S | S | * | * | trans | -4.5 | 135.2 | 174 | -67 | -179.8 | 174.3 | -177.7 | 0 | 120.6 | ||||
| 851 | G | 26.6 | Very low | 26.5 | Very low | 78 Ų | 78 | 144.8 Ų | 144.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 171.2 | 128 | 153 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 852 | L | 25.5 | Very low | 26.6 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | cis | 150.5 | 116.9 | -21.8 | 176.2 | 117.7 | 0 | 0 | 0 | 105.6 | ||||
| 853 | L | 24.1 | Very low | 26.5 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 68% | 0.681 | 79% | 0.791 | S | S | * | * | trans | 49.2 | 128.1 | 162.4 | -76.9 | 163.8 | 0 | 0 | 0 | 120.7 | ||||
| 854 | N | 26.9 | Very low | 26.5 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | -152.8 | 154.9 | 104.8 | -100.7 | -10.6 | 0 | 0 | 0 | 111.6 | |||||
| 855 | Q | 23.2 | Very low | 26.6 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -138.5 | 173.9 | 172.7 | -90.7 | -170.7 | -26.3 | 0 | 0 | 108 | ||||
| 856 | Q | 26 | Very low | 26.7 | Very low | 184 Ų | 184 | 151 Ų | 151 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 72.1 | 145.2 | -174.8 | -54.4 | 170.6 | -30.5 | 0 | 0 | 111.5 | ||||
| 857 | E | 25.8 | Very low | 26.6 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | cis | -141.9 | 167.1 | 15 | -137.1 | 162.8 | -134.5 | 0 | 0 | 107.3 | ||||
| 858 | I | 30.5 | Very low | 26.8 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | cis | -147.5 | 157.4 | 32.6 | -64.5 | 176.3 | 0 | 0 | 0 | 109.9 | ||||
| 859 | S | 24.3 | Very low | 26.8 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -111.8 | 140.4 | 178.6 | 54.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 860 | S | 25.9 | Very low | 26.7 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | 167.9 | 143.5 | 150.7 | 39.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 861 | I | 28.9 | Very low | 26.9 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | cis | -133.1 | 167.3 | 42.5 | -75.8 | 163.8 | 0 | 0 | 0 | 111.2 | ||||
| 862 | S | 28.5 | Very low | 27.1 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -72.9 | 131.3 | -169.2 | 54.5 | 0 | 0 | 0 | 0 | 116.8 | N864 | S862-N864 PolarHBondContact O-N 3.47Š| ||
| 863 | E | 25.1 | Very low | 27.3 | Very low | 191 Ų | 191 | 148.1 Ų | 148.1 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -75.3 | 110 | 158.2 | -64.4 | -177.9 | 121.7 | 0 | 0 | 110.6 | ||||
| 864 | N | 28.1 | Very low | 27.4 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -166.3 | 34.2 | 161.2 | -111.8 | -39.3 | 0 | 0 | 0 | 113.8 | S862 | S862-N864 PolarHBondContact O-N 3.47Š| ||
| 865 | Q | 29.3 | Very low | 27.5 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -151.7 | 21 | -175.4 | -133.1 | 172.2 | 23.3 | 0 | 0 | 116.5 | ||
| 866 | L | 27.9 | Very low | 27.9 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | trans | -126.4 | 14.1 | -171.8 | -116.8 | 163.7 | 0 | 0 | 0 | 115.6 | S868 | L866-S868 VanDerWaalsContact C-N 3.3Å; L866-S868 PolarHBondContact O-N 2.85Å | ||
| 867 | T | 26.4 | Very low | 28.1 | Very low | 141 Ų | 141 | 146 Ų | 146 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 14.4 | -176 | 12.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 868 | S | 27.3 | Very low | 28.2 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.4 | 12.9 | -172.7 | 67.7 | 0 | 0 | 0 | 0 | 116.8 | L866 | L866-S868 VanDerWaalsContact C-N 3.3Å; L866-S868 PolarHBondContact O-N 2.85Å |
| 869 | Q | 29.2 | Very low | 28.1 | Very low | 165 Ų | 165 | 143 Ų | 143 | 77% | 0.771 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | -14.7 | 173.1 | -80 | -174.4 | -40 | 0 | 0 | 115.4 | Y871 | Q869-Y871 VanDerWaalsContact C-N 3.3Å; Q869-Y871 PolarHBondContact O-N 3.16Å |
| 870 | L | 26.8 | Very low | 28.5 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 59% | 0.586 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -1.7 | -178.1 | -83.2 | 161.6 | 0 | 0 | 0 | 115.5 | ||
| 871 | Y | 29 | Very low | 28.7 | Very low | 219 Ų | 219 | 146 Ų | 146 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 3.6 | -174.2 | -112.8 | -86.1 | 0 | 0 | 0 | 115.6 | Q869 | Q869-Y871 VanDerWaalsContact C-N 3.3Å; Q869-Y871 PolarHBondContact O-N 3.16Å |
| 872 | A | 29.9 | Very low | 28.7 | Very low | 85 Ų | 85 | 144 Ų | 144 | 70% | 0.702 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | -28.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 873 | E | 29.2 | Very low | 28.8 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -22.9 | -170.4 | -64.7 | -170.6 | 126.2 | 0 | 0 | 114.6 | Q875 H876 | E873-Q875 VanDerWaalsContact C-N 3.3Å; E873-Q875 PolarHBondContact O-N 3.12Å; E873-H876 PolarHBondContact O-N 3.23Å |
| 874 | Q | 27.9 | Very low | 29.2 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 58% | 0.575 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -68.6 | -24.1 | -177 | -70.9 | -169.2 | -20.7 | 0 | 0 | 114.2 | H876 | Q874-H876 VanDerWaalsContact C-N 3.26Å; Q874-H876 PolarHBondContact O-N 2.91Å |
| 875 | Q | 28.7 | Very low | 29.4 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 72% | 0.72 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -68.9 | -19.1 | 179.9 | -72.9 | -165.7 | -15.5 | 0 | 0 | 114.1 | E873 | E873-Q875 VanDerWaalsContact C-N 3.3Å; E873-Q875 PolarHBondContact O-N 3.12Å |
| 876 | H | 31.6 | Very low | 29.5 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 74% | 0.741 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -91.8 | -14 | -177.7 | -112.5 | -39.2 | 0 | 0 | 0 | 115.4 | E873 Q874 | E873-H876 PolarHBondContact O-N 3.23Å; Q874-H876 VanDerWaalsContact C-N 3.26Å; Q874-H876 PolarHBondContact O-N 2.91Å |
| 877 | Q | 29.6 | Very low | 29.8 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -32.4 | 177.4 | -66.4 | -171.9 | 0.7 | 0 | 0 | 113.1 | M879 Q880 | Q877-M879 VanDerWaalsContact C-N 3.28Å; Q877-M879 PolarHBondContact O-N 2.8Å; Q877-Q880 PolarHBondContact O-N 3.3Å |
| 878 | Q | 28 | Very low | 30 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 65% | 0.645 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -67.3 | -22.4 | -179.1 | -74.2 | -173.3 | -20.3 | 0 | 0 | 114.4 | Q880 | Q878-Q880 VanDerWaalsContact C-N 3.32Å; Q878-Q880 PolarHBondContact O-N 2.91Å |
| 879 | M | 29.6 | Very low | 30.5 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 61% | 0.606 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -73.8 | -15.2 | 174.1 | -67.5 | -146.9 | -63.3 | 0 | 0 | 114.4 | Q877 | Q877-M879 VanDerWaalsContact C-N 3.28Å; Q877-M879 PolarHBondContact O-N 2.8Å |
| 880 | Q | 30.9 | Very low | 30.9 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 62% | 0.621 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -87 | -16.1 | -179.6 | -64.8 | -145.7 | -45.8 | 0 | 0 | 114.7 | Q877 Q878 | Q877-Q880 PolarHBondContact O-N 3.3Å; Q878-Q880 VanDerWaalsContact C-N 3.32Å; Q878-Q880 PolarHBondContact O-N 2.91Å |
| 881 | H | 30.8 | Very low | 31.3 | Very low | 152 Ų | 152 | 123 Ų | 123 | 70% | 0.704 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -22.8 | -178.6 | -93.5 | -90.7 | 0 | 0 | 0 | 115 | ||
| 882 | N | 28.9 | Very low | 31.7 | Very low | 122 Ų | 122 | 117.5 Ų | 117.5 | 65% | 0.652 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -97.5 | -7 | -175.3 | -79 | -9.9 | 0 | 0 | 0 | 115.7 | S885 | N882-S885 PolarHBondContact O-OG 2.94Š|
| 883 | E | 30.9 | Very low | 31.9 | Very low | 104 Ų | 104 | 115.5 Ų | 115.5 | 49% | 0.486 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -75.4 | -26.7 | 175.9 | -70.6 | -173.6 | 153.1 | 0 | 0 | 113.2 | R958 | E883-R958 IonicContact OE2-NH1 3.59Å; E883-R958 PolarHBondContact OE2-NH1 3.36Å; E883-R958 IonicContact OE2-NH2 2.79Å |
| 884 | L | 34.1 | Very low | 32.1 | Very low | 105 Ų | 105 | 113.7 Ų | 113.7 | 55% | 0.55 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | -12.9 | -175.7 | -84.2 | 163 | 0 | 0 | 0 | 114.4 | G886 | L884-G886 VanDerWaalsContact C-N 3.33Š|
| 885 | S | 31.6 | Very low | 32.3 | Very low | 97 Ų | 97 | 112.2 Ų | 112.2 | 68% | 0.678 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -14.3 | 168.7 | 42.4 | 0 | 0 | 0 | 0 | 113.3 | N882 | N882-S885 PolarHBondContact O-OG 2.94Š|
| 886 | G | 30.6 | Very low | 32.5 | Very low | 64 Ų | 64 | 106.9 Ų | 106.9 | 66% | 0.66 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -82.9 | -19.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L884 G888 | L884-G886 VanDerWaalsContact C-N 3.33Å; G886-G888 PolarHBondContact O-N 2.74Å |
| 887 | F | 35.3 | Very low | 32.5 | Very low | 97 Ų | 97 | 103.3 Ų | 103.3 | 43% | 0.425 | 57% | 0.57 | S | S | . | * | trans | -78.8 | 90.4 | 177.7 | -86.4 | -85.5 | 0 | 0 | 0 | 111.1 | W889 D988 | F887-W889 PolarHBondContact O-N 3.46Å; F887-W889 VanDerWaalsContact O-N 3.07Å; F887-D988 WeakPolarHBondContact CE1-OD2 3.44Å | ||
| 888 | G | 30.8 | Very low | 32.6 | Very low | 73 Ų | 73 | 105.1 Ų | 105.1 | 75% | 0.753 | 58% | 0.576 | S | S | * | * | trans | -60.5 | 107.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G886 | G886-G888 PolarHBondContact O-N 2.74Š| ||
| 889 | W | 36.5 | Very low | 32.9 | Very low | 149 Ų | 149 | 104.5 Ų | 104.5 | 56% | 0.564 | 57% | 0.573 | S | S | * | * | trans | -50.5 | 138.6 | 173.3 | -68.2 | 81.8 | 0 | 0 | 0 | 110.3 | F887 S891 P905 | F887-W889 PolarHBondContact O-N 3.46Å; F887-W889 VanDerWaalsContact O-N 3.07Å; W889-S891 PolarHBondContact O-N 2.55Å; W889-P905 HydrophobicContact CH2-CG 4.36Å | ||
| 890 | P | 37.5 | Very low | 32.8 | Very low | 71 Ų | 71 | 103.4 Ų | 103.4 | 46% | 0.461 | 57% | 0.574 | S | S | . | * | trans | -54.2 | 114.1 | 174.8 | -25.3 | 34.1 | 0 | 0 | 0 | 109.9 | N892 L893 | P890-N892 PolarHBondContact O-N 2.84Å; P890-L893 PolarHBondContact O-N 2.88Å | ||
| 891 | S | 35.2 | Very low | 33 | Very low | 87 Ų | 87 | 103.9 Ų | 103.9 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -16.9 | -170.1 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | W889 I894 | W889-S891 PolarHBondContact O-N 2.55Å; S891-I894 PolarHBondContact O-N 2.89Å |
| 892 | N | 37.2 | Very low | 33.7 | Very low | 104 Ų | 104 | 103.3 Ų | 103.3 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -39.4 | 176.8 | -59.2 | -2 | 0 | 0 | 0 | 112.2 | P890 I894 S895 S896 | P890-N892 PolarHBondContact O-N 2.84Å; N892-I894 PolarHBondContact O-N 2.66Å; N892-S895 WeakPolarHBondContact O-CB 3.21Å; N892-S895 PolarHBondContact O-N 2.64Å; N892-S895 PolarHBondContact O-OG 3.26Å; N892-S896 PolarHBondContact O-N 2.93Å |
| 893 | L | 35.4 | Very low | 35 | Very low | 44 Ų | 44 | 101.8 Ų | 101.8 | 23% | 0.23 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -61.1 | -25.1 | 176.9 | -91.9 | 163 | 0 | 0 | 0 | 112.9 | P890 I897 F1024 D1045 | P890-L893 PolarHBondContact O-N 2.88Å; L893-I897 WeakPolarHBondContact O-CD1 3.4Å; L893-F1024 HydrophobicContact CD1-CE1 4.44Å; L893-F1024 HydrophobicContact CD1-CZ 4.25Å; L893-D1045 HydrophobicContact CD2-CB 3.68Å; L893-D1045 HydrophobicContact CG-CB 4.17Å |
| 894 | I | 34.2 | Very low | 36.8 | Very low | 129 Ų | 129 | 103.9 Ų | 103.9 | 66% | 0.662 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -84.2 | -17.2 | 177.4 | -58.6 | 174.3 | 0 | 0 | 0 | 110.9 | S891 N892 | S891-I894 PolarHBondContact O-N 2.89Å; N892-I894 PolarHBondContact O-N 2.66Å |
| 895 | S | 31.1 | Very low | 39 | Very low | 92 Ų | 92 | 100.2 Ų | 100.2 | 64% | 0.643 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -94.6 | -21.4 | -173.7 | 75.7 | 0 | 0 | 0 | 0 | 115 | N892 | N892-S895 WeakPolarHBondContact O-CB 3.21Å; N892-S895 PolarHBondContact O-N 2.64Å; N892-S895 PolarHBondContact O-OG 3.26Å |
| 896 | S | 32.7 | Very low | 41.6 | Very low | 42 Ų | 42 | 96.9 Ų | 96.9 | 29% | 0.294 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -86.8 | -27.7 | -177.5 | 48.6 | 0 | 0 | 0 | 0 | 113.7 | N892 K898 D1045 | N892-S896 PolarHBondContact O-N 2.93Å; S896-K898 PolarHBondContact O-N 2.59Å; S896-D1045 PolarHBondContact OG-OD2 2.97Å |
| 897 | I | 32.9 | Very low | 44.4 | Very low | 84 Ų | 84 | 100.4 Ų | 100.4 | 43% | 0.431 | 54% | 0.54 | S | S | . | . | trans | -86 | 94.5 | -168.8 | -55.3 | 177.1 | 0 | 0 | 0 | 111.7 | L893 H899 | L893-I897 WeakPolarHBondContact O-CD1 3.4Å; I897-H899 VanDerWaalsContact C-N 3.33Å; I897-H899 PolarHBondContact O-N 3.5Å | ||
| 898 | K | 29.7 | Very low | 46.9 | Very low | 197 Ų | 197 | 97 Ų | 97 | 86% | 0.857 | 53% | 0.528 | S | S | * | . | trans | -90.8 | 27.6 | 173.8 | -82.3 | -170.5 | 175.9 | 178.6 | 0 | 114.9 | S896 | S896-K898 PolarHBondContact O-N 2.59Š| ||
| 899 | H | 34.4 | Very low | 49.2 | Very low | 126 Ų | 126 | 96.4 Ų | 96.4 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -117.9 | 130.3 | 170.2 | -83.9 | -98.7 | 0 | 0 | 0 | 110.9 | I897 | I897-H899 VanDerWaalsContact C-N 3.33Å; I897-H899 PolarHBondContact O-N 3.5Å |
| 900 | P | 28.9 | Very low | 51.2 | Low | 99 Ų | 99 | 95 Ų | 95 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -69.1 | 157.4 | 167.6 | 32.3 | -34.1 | 0 | 0 | 0 | 109.8 | ||
| 901 | F | 34.4 | Very low | 53.5 | Low | 143 Ų | 143 | 92.1 Ų | 92.1 | 63% | 0.627 | 49% | 0.485 | S | S | * | . | trans | 67.3 | 83.1 | -174.7 | -50.5 | -91 | 0 | 0 | 0 | 114.5 | Q835 | Q835-F901 HydrophobicContact CG-CE1 4.11Å; Q835-F901 HydrophobicContact CG-CZ 4.25Å | ||
| 902 | H | 45.7 | Very low | 55.8 | Low | 140 Ų | 140 | 90.7 Ų | 90.7 | 65% | 0.648 | 47% | 0.467 | S | S | * | . | trans | -117.4 | 130.9 | 153.5 | -88.3 | -89.8 | 0 | 0 | 0 | 109.6 | ||||
| 903 | S | 56 | Low | 58.2 | Low | 91 Ų | 91 | 86 Ų | 86 | 64% | 0.636 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 148.4 | 176.5 | 46 | 0 | 0 | 0 | 0 | 111.6 | ||
| 904 | L | 69.6 | Low | 60.6 | Low | 147 Ų | 147 | 84.4 Ų | 84.4 | 77% | 0.77 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 147.2 | 169.2 | -73 | 164 | 0 | 0 | 0 | 110.6 | V906 | L904-V906 PolarHBondContact O-N 3.17Š|
| 905 | P | 80.5 | Confident | 63.2 | Low | 29 Ų | 29 | 78.3 Ų | 78.3 | 19% | 0.188 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 131.2 | 178.4 | -24 | 32.6 | 0 | 0 | 0 | 112.6 | W889 K907 L954 | W889-P905 HydrophobicContact CH2-CG 4.36Å; P905-K907 PolarHBondContact O-N 3.04Å; P905-L954 WeakPolarHBondContact CA-O 3.47Å; P905-L954 HydrophobicContact CB-CG 4.42Å; P905-L954 HydrophobicContact CG-CD2 3.95Å; P905-L954 HydrophobicContact CG-CG 4.32Å |
| 906 | V | 85.2 | Confident | 66.1 | Low | 26 Ų | 26 | 74 Ų | 74 | 16% | 0.158 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -76.6 | 121.1 | -176.8 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | L904 F953 L954 F955 S956 W968 | L904-V906 PolarHBondContact O-N 3.17Å; V906-F953 HydrophobicContact CB-CE2 3.77Å; V906-F953 HydrophobicContact CB-CZ 3.84Å; V906-F953 HydrophobicContact CG1-CE2 3.98Å; V906-F953 HydrophobicContact CG1-CZ 3.94Å; V906-F953 HydrophobicContact CG2-CE2 3.79Å; V906-F953 HydrophobicContact CG2-CZ 4.38Å; V906-L954 PolarHBondContact N-O 3.04Å; V906-F955 WeakPolarHBondContact O-CA 3.35Å; V906-F955 VanDerWaalsContact O-CB 3.23Å; V906-F955 WeakPolarHBondContact O-CB 3.08Å; V906-S956 PolarHBondContact O-N 3.5Å; V906-W968 PolarHBondContact O-NE1 3.48Å |
| 907 | K | 88.6 | Confident | 68.9 | Low | 139 Ų | 139 | 72 Ų | 72 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -70 | 160.5 | 173.1 | -69.1 | -173.6 | 177.3 | -178.7 | 0 | 111.6 | P905 W968 | P905-K907 PolarHBondContact O-N 3.04Å; K907-W968 VanDerWaalsContact C-NE1 3.33Å; K907-W968 PolarHBondContact O-NE1 3.22Å |
| 908 | S | 89.5 | Confident | 71.7 | Confident | 24 Ų | 24 | 68 Ų | 68 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 155.5 | 176.6 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | D957 R966 R967 | S908-D957 WeakPolarHBondContact CB-OD2 3.34Å; S908-D957 PolarHBondContact N-OD2 2.59Å; S908-D957 PolarHBondContact OG-OD2 2.91Å; S908-R966 WeakPolarHBondContact OG-CD 3.33Å; S908-R966 PolarHBondContact OG-NH1 2.8Å; S908-R967 CarbonylContact C-O 3.58Å; S908-R967 VanDerWaalsContact CA-O 3.29Å; S908-R967 WeakPolarHBondContact CA-O 3.4Å; S908-R967 VanDerWaalsContact CB-O 3.24Å; S908-R967 WeakPolarHBondContact CB-O 3.43Å |
| 909 | Q | 78.7 | Confident | 74.8 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | trans | -120.5 | 132 | 173 | -62.5 | -172.3 | 11.4 | 0 | 0 | 109.7 | M938 R967 | Q909-M938 PolarHBondContact OE1-O 2.75Å; Q909-R967 PolarHBondContact N-O 3.19Å | ||
| 910 | K | 78.8 | Confident | 77.5 | Confident | 121 Ų | 121 | 55.5 Ų | 55.5 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | trans | -74.4 | 141.4 | 164.7 | -67.8 | -170.1 | 175.9 | -170.3 | 0 | 108.4 | H622 | H622-K910 PolarHBondContact O-NZ 3.46Š| ||
| 911 | P | 84.1 | Confident | 80.4 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 7% | 0.065 | 27% | 0.271 | C | S | . | . | trans | -62.3 | 143.7 | 168.4 | 30 | -35.5 | 0 | 0 | 0 | 109 | L449 L626 V913 I935 F969 | L449-P911 HydrophobicContact CD1-CB 4.34Å; L449-P911 HydrophobicContact CD1-CG 4.06Å; L626-P911 HydrophobicContact CD1-CG 3.9Å; P911-V913 HydrophobicContact CG-CG2 4.34Å; P911-V913 PolarHBondContact O-N 2.83Å; P911-I935 HydrophobicContact CB-CG2 4.27Å; P911-F969 HydrophobicContact CB-CE2 4.19Å; P911-F969 HydrophobicContact CB-CZ 4.24Å | ||
| 912 | Y | 84 | Confident | 83 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 115.7 | 175.4 | -63.6 | -88.5 | 0 | 0 | 0 | 108.3 | L775 F809 L813 I935 I936 M938 | L775-Y912 HydrophobicContact CD1-CD1 3.73Å; L775-Y912 HydrophobicContact CD1-CE1 3.99Å; L775-Y912 HydrophobicContact CD2-CD1 3.88Å; L775-Y912 HydrophobicContact CD2-CE1 3.71Å; L775-Y912 HydrophobicContact CG-CD1 4.48Å; F809-Y912 HydrophobicContact CZ-CD1 4.49Å; F809-Y912 HydrophobicContact CZ-CD2 4.46Å; F809-Y912 HydrophobicContact CZ-CG 4.2Å; L813-Y912 HydrophobicContact CD2-CE1 3.72Å; Y912-I935 WeakPolarHBondContact O-CA 3.28Å; Y912-I936 PolarHBondContact N-O 2.88Å; Y912-I936 PolarHBondContact O-N 2.86Å; Y912-M938 HydrophobicContact CD2-CG 3.92Å; Y912-M938 HydrophobicContact CE2-CB 4.36Å; Y912-M938 HydrophobicContact CE2-CG 3.63Å |
| 913 | V | 87.4 | Confident | 84.9 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.6 | -178.3 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | Y625 L626 D774 P911 I935 | Y625-V913 HydrophobicContact CD2-CG1 4.41Å; L626-V913 HydrophobicContact CD1-CG2 3.79Å; L626-V913 HydrophobicContact CD2-CG1 4.49Å; L626-V913 HydrophobicContact CD2-CG2 4.35Å; L626-V913 HydrophobicContact CG-CG2 3.85Å; D774-V913 PolarHBondContact N-O 2.92Å; P911-V913 HydrophobicContact CG-CG2 4.34Å; P911-V913 PolarHBondContact O-N 2.83Å; V913-I935 HydrophobicContact CG2-CG2 4.45Å |
| 914 | M | 86.8 | Confident | 86.4 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.059 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.3 | 177.4 | 171.3 | 173.1 | -73.3 | 0 | 0 | 109.3 | V771 W784 L785 P933 I934 | V771-M914 HydrophobicContact CG1-CE 3.42Å; V771-M914 VanDerWaalsContact CG1-CE 3.42Å; V771-M914 HydrophobicContact CG1-CG 3.77Å; V771-M914 HydrophobicContact CG1-SD 3.53Å; V771-M914 VanDerWaalsContact CG1-SD 3.53Å; W784-M914 HydrophobicContact CH2-CE 3.84Å; W784-M914 HydrophobicContact CH2-SD 4.01Å; W784-M914 HydrophobicContact CZ2-CE 3.47Å; W784-M914 VanDerWaalsContact CZ2-CE 3.47Å; W784-M914 HydrophobicContact CZ2-SD 4.19Å; L785-M914 HydrophobicContact CD2-SD 3.53Å; L785-M914 VanDerWaalsContact CD2-SD 3.53Å; M914-P933 WeakPolarHBondContact O-CA 3.37Å; M914-I934 HydrophobicContact CB-CB 4.34Å; M914-I934 PolarHBondContact N-O 2.91Å; M914-I934 PolarHBondContact O-N 2.83Å |
| 915 | M | 89.2 | Confident | 87.2 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 106.9 | 175.2 | -61.8 | -61.8 | -73.4 | 0 | 0 | 108.2 | L544 Y625 Y630 A772 S917 D931 P933 | L544-M915 HydrophobicContact CD2-CE 3.85Å; L544-M915 HydrophobicContact CD2-SD 4.46Å; Y625-M915 HydrophobicContact CD1-CG 4.26Å; Y625-M915 HydrophobicContact CD2-CG 4.21Å; Y625-M915 HydrophobicContact CE1-CG 4.27Å; Y625-M915 HydrophobicContact CE2-CG 4.2Å; Y625-M915 HydrophobicContact CG-CG 4.24Å; Y630-M915 HydrophobicContact CE1-CE 3.98Å; A772-M915 HydrophobicContact CB-CB 4.47Å; A772-M915 PolarHBondContact N-O 2.93Å; A772-M915 PolarHBondContact O-N 2.56Å; M915-S917 PolarHBondContact O-N 3.41Å; M915-D931 HydrophobicContact CE-CB 3.65Å; M915-D931 WeakPolarHBondContact CE-OD2 3.07Å; M915-P933 HydrophobicContact SD-CB 3.78Å |
| 916 | L | 90.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 100 | 172.4 | 172.4 | 68 | 0 | 0 | 0 | 108.1 | T769 E770 V771 I787 L802 F918 D931 I932 | T769-L916 HydrophobicContact CG2-CD1 4.34Å; E770-L916 CarbonylContact O-C 3.59Å; V771-L916 HydrophobicContact CG2-CD1 4.09Å; I787-L916 HydrophobicContact CD1-CD1 4.42Å; I787-L916 HydrophobicContact CD1-CD2 3.59Å; I787-L916 HydrophobicContact CG2-CD1 4.3Å; L802-L916 HydrophobicContact CD1-CD2 3.86Å; L916-F918 HydrophobicContact CD2-CE2 4.41Å; L916-F918 HydrophobicContact CD2-CZ 3.95Å; L916-F918 HydrophobicContact CG-CE2 4.21Å; L916-F918 HydrophobicContact CG-CZ 4.01Å; L916-D931 CarbonylContact O-C 3.28Å; L916-D931 VanDerWaalsContact O-CA 3.31Å; L916-D931 WeakPolarHBondContact O-CA 3.19Å; L916-I932 HydrophobicContact CB-CB 4.31Å; L916-I932 WeakPolarHBondContact CB-O 3.15Å; L916-I932 HydrophobicContact CD2-CB 4.35Å; L916-I932 HydrophobicContact CD2-CD1 4.46Å; L916-I932 PolarHBondContact N-O 3.44Å; L916-I932 PolarHBondContact O-N 2.68Å |
| 917 | S | 91.5 | Very high | 88 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 144.9 | -175.6 | -69.8 | 0 | 0 | 0 | 0 | 112.8 | T769 E770 M915 R928 D931 | T769-S917 CarbonylContact C-O 3.55Å; T769-S917 WeakPolarHBondContact CA-O 3.47Å; E770-S917 PolarHBondContact N-O 2.71Å; E770-S917 PolarHBondContact O-N 2.94Å; M915-S917 PolarHBondContact O-N 3.41Å; S917-R928 WeakPolarHBondContact OG-CD 3.35Å; S917-D931 WeakPolarHBondContact CA-OD1 3.41Å; S917-D931 WeakPolarHBondContact CB-OD1 3.22Å; S917-D931 VanDerWaalsContact OG-CG 3.25Å; S917-D931 PolarHBondContact OG-OD1 2.8Å; S917-D931 PolarHBondContact OG-OD2 2.66Å |
| 918 | F | 93.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.3 | 172.2 | -56.5 | -88.2 | 0 | 0 | 0 | 110.4 | L705 M747 L767 T768 T769 I787 I791 L916 L929 A930 I932 | L705-F918 HydrophobicContact CD1-CD2 3.94Å; L705-F918 HydrophobicContact CD1-CE2 3.78Å; M747-F918 HydrophobicContact CE-CD1 3.64Å; M747-F918 HydrophobicContact CE-CD2 4.08Å; M747-F918 HydrophobicContact CE-CE1 3.47Å; M747-F918 VanDerWaalsContact CE-CE1 3.47Å; M747-F918 HydrophobicContact CE-CE2 3.95Å; M747-F918 HydrophobicContact CE-CG 3.95Å; M747-F918 HydrophobicContact CE-CZ 3.64Å; L767-F918 HydrophobicContact CD1-CB 4.21Å; T768-F918 WeakPolarHBondContact O-CA 3.32Å; T769-F918 HydrophobicContact CG2-CD1 3.92Å; T769-F918 HydrophobicContact CG2-CE1 3.61Å; I787-F918 HydrophobicContact CD1-CE1 4.45Å; I787-F918 HydrophobicContact CD1-CZ 4.38Å; I791-F918 HydrophobicContact CD1-CD1 4.18Å; I791-F918 HydrophobicContact CD1-CE1 3.7Å; L916-F918 HydrophobicContact CD2-CE2 4.41Å; L916-F918 HydrophobicContact CD2-CZ 3.95Å; L916-F918 HydrophobicContact CG-CE2 4.21Å; L916-F918 HydrophobicContact CG-CZ 4.01Å; F918-L929 PolarHBondContact O-N 3.04Å; F918-A930 WeakPolarHBondContact CD2-O 3.36Å; F918-A930 PolarHBondContact N-O 2.83Å; F918-I932 HydrophobicContact CE2-CD1 3.91Å; F918-I932 HydrophobicContact CE2-CG1 4.04Å; F918-I932 HydrophobicContact CZ-CD1 4.1Å |
| 919 | K | 93.1 | Very high | 88.3 | Confident | 56 Ų | 56 | 38.9 Ų | 38.9 | 24% | 0.243 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.2 | 177.2 | -64.4 | -171.5 | 177.6 | 164.7 | 0 | 110.8 | L767 T768 E770 G927 R928 | L767-K919 CarbonylContact C-O 3.47Å; L767-K919 WeakPolarHBondContact CA-O 3.36Å; T768-K919 PolarHBondContact N-O 3.2Å; T768-K919 PolarHBondContact O-N 2.95Å; T768-K919 PolarHBondContact OG1-O 2.95Å; E770-K919 VanDerWaalsContact CD-CE 3.42Å; E770-K919 WeakPolarHBondContact OE1-CD 3.48Å; E770-K919 WeakPolarHBondContact OE1-CE 3.38Å; E770-K919 IonicContact OE1-NZ 3.97Å; E770-K919 PolarHBondContact OE1-NZ 3.02Å; E770-K919 WeakPolarHBondContact OE2-CE 3.44Å; E770-K919 IonicContact OE2-NZ 3.2Å; E770-K919 PolarHBondContact OE2-NZ 2.79Å; K919-G927 WeakPolarHBondContact CG-O 3.19Å; K919-R928 HydrophobicContact CG-CG 4.4Å |
| 920 | A | 91.3 | Very high | 89 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 129.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L767 E923 P924 L929 | L767-A920 HydrophobicContact CD2-CB 4.33Å; A920-E923 HydrophobicContact CB-CB 4.39Å; A920-E923 CarbonylContact O-C 3.49Å; A920-P924 WeakPolarHBondContact O-CA 3.04Å; A920-L929 HydrophobicContact CB-CD1 3.82Å |
| 921 | I | 90.8 | Very high | 89.6 | Confident | 83 Ų | 83 | 31.7 Ų | 31.7 | 43% | 0.426 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -70.8 | -38.3 | 170.3 | -53 | 166 | 0 | 0 | 0 | 110 | H766 T768 M790 | H766-I921 HydrophobicContact CB-CB 4.41Å; H766-I921 HydrophobicContact CB-CD1 4.1Å; H766-I921 WeakPolarHBondContact O-CG1 3.14Å; H766-I921 PolarHBondContact O-N 2.97Å; T768-I921 HydrophobicContact CG2-CD1 3.9Å; T768-I921 HydrophobicContact CG2-CG1 3.78Å; M790-I921 HydrophobicContact CE-CD1 3.83Å; M790-I921 HydrophobicContact CG-CD1 4.29Å; M790-I921 HydrophobicContact SD-CD1 4.06Å |
| 922 | N | 89.4 | Confident | 90 | Very high | 74 Ų | 74 | 31.2 Ų | 31.2 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -78.3 | -24 | -177.7 | 53.4 | -34.9 | 0 | 0 | 0 | 113.8 | E764 H766 | E764-N922 PolarHBondContact O-ND2 3.02Å; H766-N922 PolarHBondContact N-OD1 2.89Å; H766-N922 VanDerWaalsContact N-OD1 3.15Å |
| 923 | E | 85.6 | Confident | 90.4 | Very high | 75 Ų | 75 | 28.8 Ų | 28.8 | 35% | 0.35 | 15% | 0.152 | S | C | . | . | trans | -133.1 | 68.2 | 174.4 | -63 | -157.6 | 150.8 | 0 | 0 | 111.8 | A920 E925 M926 | A920-E923 HydrophobicContact CB-CB 4.39Å; A920-E923 CarbonylContact O-C 3.49Å; E923-E925 PolarHBondContact O-N 2.83Å; E923-E925 VanDerWaalsContact O-N 3.15Å; E923-M926 HydrophobicContact CB-CG 4.31Å; E923-M926 PolarHBondContact O-N 3.39Å; E923-M926 VanDerWaalsContact O-N 3.11Å; E923-M926 WeakPolarHBondContact OE2-CE 3.17Å | ||
| 924 | P | 86.2 | Confident | 90.6 | Very high | 91 Ų | 91 | 28.6 Ų | 28.6 | 59% | 0.591 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -66 | -20.5 | -171.8 | 27.3 | -35.8 | 0 | 0 | 0 | 113.8 | A920 M926 G927 | A920-P924 WeakPolarHBondContact O-CA 3.04Å; P924-M926 PolarHBondContact O-N 3.01Å; P924-G927 PolarHBondContact O-N 2.88Å; P924-G927 VanDerWaalsContact O-N 3.13Å |
| 925 | E | 87.3 | Confident | 90.6 | Very high | 87 Ų | 87 | 28 Ų | 28 | 41% | 0.407 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -66.5 | -18.1 | 175.7 | -71.4 | 166.6 | -158.1 | 0 | 0 | 113.5 | L645 K648 E923 G927 | L645-E925 HydrophobicContact CD2-CB 4.32Å; K648-E925 WeakPolarHBondContact CD-OE2 3.35Å; K648-E925 WeakPolarHBondContact CE-OE2 3.46Å; K648-E925 IonicContact NZ-OE1 2.71Å; K648-E925 PolarHBondContact NZ-OE1 2.87Å; K648-E925 IonicContact NZ-OE2 2.69Å; K648-E925 PolarHBondContact NZ-OE2 3.32Å; E923-E925 PolarHBondContact O-N 2.83Å; E923-E925 VanDerWaalsContact O-N 3.15Å; E925-G927 PolarHBondContact O-N 2.76Å |
| 926 | M | 90.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.015 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -77.3 | -5 | 172.5 | -67.4 | -164 | 169.7 | 0 | 0 | 114.1 | R611 Y641 L645 Y699 W701 E923 P924 R928 L929 | R611-M926 PolarHBondContact NH1-SD 2.84Å; Y641-M926 VanDerWaalsContact OH-C 3.28Å; Y641-M926 WeakPolarHBondContact OH-CA 3.5Å; Y641-M926 PolarHBondContact OH-O 2.89Å; L645-M926 HydrophobicContact CD2-CG 4.43Å; Y699-M926 HydrophobicContact CD1-CE 3.55Å; Y699-M926 HydrophobicContact CE1-CE 3.21Å; W701-M926 HydrophobicContact CH2-SD 4.02Å; W701-M926 HydrophobicContact CZ2-CE 3.99Å; W701-M926 HydrophobicContact CZ2-SD 3.83Å; E923-M926 HydrophobicContact CB-CG 4.31Å; E923-M926 PolarHBondContact O-N 3.39Å; E923-M926 VanDerWaalsContact O-N 3.11Å; E923-M926 WeakPolarHBondContact OE2-CE 3.17Å; P924-M926 PolarHBondContact O-N 3.01Å; M926-R928 PolarHBondContact O-N 2.82Å; M926-L929 HydrophobicContact CB-CD2 3.55Å; M926-L929 HydrophobicContact CG-CD2 4.36Å; M926-L929 HydrophobicContact SD-CD2 3.85Å |
| 927 | G | 91.5 | Very high | 89.8 | Confident | 15 Ų | 15 | 28.4 Ų | 28.4 | 16% | 0.155 | 15% | 0.15 | C | C | . | . | trans | 56.6 | -134.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K919 P924 E925 | K919-G927 WeakPolarHBondContact CG-O 3.19Å; P924-G927 PolarHBondContact O-N 2.88Å; P924-G927 VanDerWaalsContact O-N 3.13Å; E925-G927 PolarHBondContact O-N 2.76Å | ||
| 928 | R | 92.4 | Very high | 89.1 | Confident | 51 Ų | 51 | 29.6 Ų | 29.6 | 19% | 0.192 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 131 | 173.7 | -57.7 | 178.6 | -177.5 | 177.6 | 2.8 | 110.1 | R611 M614 N615 S917 K919 M926 D931 | R611-R928 WeakPolarHBondContact CG-O 3.36Å; M614-R928 HydrophobicContact CE-CB 3.61Å; M614-R928 HydrophobicContact CG-CB 4.4Å; M614-R928 HydrophobicContact SD-CB 3.98Å; N615-R928 PolarHBondContact ND2-O 3.01Å; N615-R928 PolarHBondContact OD1-N 2.9Å; S917-R928 WeakPolarHBondContact OG-CD 3.35Å; K919-R928 HydrophobicContact CG-CG 4.4Å; M926-R928 PolarHBondContact O-N 2.82Å; R928-D931 IonicContact NH1-OD2 2.68Å |
| 929 | L | 92.8 | Very high | 88.4 | Confident | 11 Ų | 11 | 30.4 Ų | 30.4 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -35.7 | -179.5 | -61.8 | -173.3 | 0 | 0 | 0 | 113.4 | W701 I703 L765 L767 F918 A920 M926 | W701-L929 HydrophobicContact CH2-CD1 4.22Å; W701-L929 HydrophobicContact CH2-CD2 4.27Å; I703-L929 HydrophobicContact CD1-CB 3.95Å; I703-L929 HydrophobicContact CD1-CD1 4.11Å; L765-L929 HydrophobicContact CD1-CD1 4.32Å; L767-L929 HydrophobicContact CD2-CD1 3.7Å; F918-L929 PolarHBondContact O-N 3.04Å; A920-L929 HydrophobicContact CB-CD1 3.82Å; M926-L929 HydrophobicContact CB-CD2 3.55Å; M926-L929 HydrophobicContact CG-CD2 4.36Å; M926-L929 HydrophobicContact SD-CD2 3.85Å |
| 930 | A | 92.2 | Very high | 87.8 | Confident | 13 Ų | 13 | 30.6 Ų | 30.6 | 11% | 0.107 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 155.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | I703 L705 F918 | I703-A930 HydrophobicContact CB-CB 4.12Å; L705-A930 HydrophobicContact CD1-CB 3.76Å; L705-A930 HydrophobicContact CG-CB 4.33Å; F918-A930 WeakPolarHBondContact CD2-O 3.36Å; F918-A930 PolarHBondContact N-O 2.83Å |
| 931 | D | 92.2 | Very high | 87 | Confident | 18 Ų | 18 | 36.1 Ų | 36.1 | 10% | 0.096 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 148.5 | 176.7 | -70.6 | -7.8 | 0 | 0 | 0 | 110.3 | M614 Y630 M915 L916 S917 R928 | M614-D931 HydrophobicContact CE-CB 3.93Å; M614-D931 WeakPolarHBondContact CE-OD1 3.48Å; M614-D931 WeakPolarHBondContact CE-OD2 3.42Å; Y630-D931 WeakPolarHBondContact CE1-OD2 3.47Å; M915-D931 HydrophobicContact CE-CB 3.65Å; M915-D931 WeakPolarHBondContact CE-OD2 3.07Å; L916-D931 CarbonylContact O-C 3.28Å; L916-D931 VanDerWaalsContact O-CA 3.31Å; L916-D931 WeakPolarHBondContact O-CA 3.19Å; S917-D931 WeakPolarHBondContact CA-OD1 3.41Å; S917-D931 WeakPolarHBondContact CB-OD1 3.22Å; S917-D931 VanDerWaalsContact OG-CG 3.25Å; S917-D931 PolarHBondContact OG-OD1 2.8Å; S917-D931 PolarHBondContact OG-OD2 2.66Å; R928-D931 IonicContact NH1-OD2 2.68Å |
| 932 | I | 92.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 117.5 | 163.1 | -67.4 | 170.6 | 0 | 0 | 0 | 108.5 | L705 V745 L916 F918 I934 | L705-I932 HydrophobicContact CB-CD1 4.39Å; L705-I932 HydrophobicContact CB-CG1 4.23Å; L705-I932 HydrophobicContact CD1-CD1 3.98Å; L705-I932 HydrophobicContact CD1-CG1 3.55Å; L705-I932 HydrophobicContact CG-CG1 4.47Å; V745-I932 HydrophobicContact CB-CD1 4.3Å; V745-I932 HydrophobicContact CG1-CD1 3.44Å; V745-I932 VanDerWaalsContact CG1-CD1 3.44Å; V745-I932 HydrophobicContact CG2-CD1 3.82Å; L916-I932 HydrophobicContact CB-CB 4.31Å; L916-I932 WeakPolarHBondContact CB-O 3.15Å; L916-I932 HydrophobicContact CD2-CB 4.35Å; L916-I932 HydrophobicContact CD2-CD1 4.46Å; L916-I932 PolarHBondContact N-O 3.44Å; L916-I932 PolarHBondContact O-N 2.68Å; F918-I932 HydrophobicContact CE2-CD1 3.91Å; F918-I932 HydrophobicContact CE2-CG1 4.04Å; F918-I932 HydrophobicContact CZ-CD1 4.1Å; I932-I934 HydrophobicContact CG2-CG1 4.39Å |
| 933 | P | 92.9 | Very high | 85 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.032 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 134.3 | 171.2 | 33.6 | -35.8 | 0 | 0 | 0 | 110.4 | G542 L544 I719 M914 M915 I935 | G542-P933 VanDerWaalsContact O-CG 3.28Å; G542-P933 WeakPolarHBondContact O-CG 3.22Å; L544-P933 HydrophobicContact CB-CB 4.5Å; L544-P933 HydrophobicContact CB-CG 4.38Å; I719-P933 PolarHBondContact N-O 2.85Å; M914-P933 WeakPolarHBondContact O-CA 3.37Å; M915-P933 HydrophobicContact SD-CB 3.78Å; P933-I935 HydrophobicContact CB-CD1 3.82Å; P933-I935 HydrophobicContact CG-CD1 4.38Å |
| 934 | I | 90.3 | Very high | 83.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116 | 171 | -52.3 | 179.4 | 0 | 0 | 0 | 106.9 | I719 L721 L785 L802 I804 M914 I932 I936 | I719-I934 HydrophobicContact CB-CG1 4.34Å; I719-I934 HydrophobicContact CB-CG2 4.32Å; I719-I934 HydrophobicContact CD1-CG1 4.42Å; I719-I934 HydrophobicContact CG2-CG2 4.15Å; I719-I934 CarbonylContact O-C 3.58Å; I719-I934 WeakPolarHBondContact O-CA 3.42Å; L721-I934 HydrophobicContact CD1-CG2 4.31Å; L785-I934 HydrophobicContact CD1-CD1 4.22Å; L785-I934 HydrophobicContact CD2-CD1 4.17Å; L802-I934 HydrophobicContact CD1-CD1 4.34Å; I804-I934 HydrophobicContact CD1-CG2 4.45Å; M914-I934 HydrophobicContact CB-CB 4.34Å; M914-I934 PolarHBondContact N-O 2.91Å; M914-I934 PolarHBondContact O-N 2.83Å; I932-I934 HydrophobicContact CG2-CG1 4.39Å; I934-I936 HydrophobicContact CG2-CG1 4.36Å |
| 935 | I | 88.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 115.5 | -176.6 | -52.5 | 87.7 | 0 | 0 | 0 | 108.8 | P538 L626 I719 W720 L721 P911 Y912 V913 P933 | P538-I935 HydrophobicContact CB-CD1 3.7Å; P538-I935 HydrophobicContact CB-CG1 4.21Å; P538-I935 HydrophobicContact CG-CB 4.31Å; P538-I935 HydrophobicContact CG-CD1 3.72Å; P538-I935 HydrophobicContact CG-CG1 3.84Å; P538-I935 HydrophobicContact CG-CG2 4.46Å; L626-I935 HydrophobicContact CD1-CG2 4.27Å; L626-I935 HydrophobicContact CD2-CG1 4.19Å; I719-I935 PolarHBondContact O-N 2.81Å; W720-I935 HydrophobicContact CG-CB 4.46Å; L721-I935 PolarHBondContact N-O 3.45Å; P911-I935 HydrophobicContact CB-CG2 4.27Å; Y912-I935 WeakPolarHBondContact O-CA 3.28Å; V913-I935 HydrophobicContact CG2-CG2 4.45Å; P933-I935 HydrophobicContact CB-CD1 3.82Å; P933-I935 HydrophobicContact CG-CD1 4.38Å |
| 936 | I | 83.9 | Confident | 79.7 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.3 | -179.4 | -56.5 | 169.1 | 0 | 0 | 0 | 109.8 | L721 W725 W784 F809 Y912 I934 M938 | L721-I936 HydrophobicContact CD1-CD1 4.48Å; L721-I936 HydrophobicContact CD1-CG1 3.72Å; W725-I936 HydrophobicContact CE3-CG2 4.39Å; W725-I936 HydrophobicContact CZ3-CD1 3.92Å; W725-I936 HydrophobicContact CZ3-CG1 4.41Å; W784-I936 HydrophobicContact CH2-CD1 4.23Å; W784-I936 HydrophobicContact CZ3-CD1 4Å; F809-I936 HydrophobicContact CE1-CD1 4.09Å; F809-I936 HydrophobicContact CE1-CG2 4.03Å; F809-I936 HydrophobicContact CE2-CD1 4.12Å; F809-I936 HydrophobicContact CZ-CD1 3.85Å; F809-I936 HydrophobicContact CZ-CG2 4.43Å; Y912-I936 PolarHBondContact N-O 2.88Å; Y912-I936 PolarHBondContact O-N 2.86Å; I934-I936 HydrophobicContact CG2-CG1 4.36Å; I936-M938 HydrophobicContact CG2-SD 4.33Å |
| 937 | H | 78.5 | Confident | 77.7 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.028 | 23% | 0.23 | C | C | . | . | trans | -102.2 | 138.7 | 171.2 | -65.7 | -165.9 | 0 | 0 | 0 | 109.8 | W720 L721 P939 F969 | W720-H937 AromaticContact CD1-NE2 3.93Å; W720-H937 AromaticContact CE2-CE1 3.65Å; W720-H937 AromaticContact CE2-NE2 3.79Å; W720-H937 AromaticContact CZ2-CE1 3.9Å; W720-H937 AromaticContact NE1-CD2 3.66Å; W720-H937 AromaticContact NE1-CE1 3.17Å; W720-H937 PolarHBondContact NE1-CE1 3.27Å; W720-H937 AromaticContact NE1-ND1 3.92Å; W720-H937 AromaticContact NE1-NE2 2.93Å; W720-H937 PolarHBondContact NE1-NE2 3.42Å; L721-H937 PolarHBondContact O-N 2.81Å; L721-H937 VanDerWaalsContact O-N 3.08Å; H937-P939 WeakPolarHBondContact O-CD 3.23Å; H937-F969 HydrophobicContact CB-CD1 4.36Å; H937-F969 HydrophobicContact CB-CD2 4.29Å; H937-F969 HydrophobicContact CB-CG 4.17Å; H937-F969 AromaticContact CE1-CE1 3.38Å; H937-F969 WeakPolarHBondContact CE1-CE1 3.3Å; H937-F969 AromaticContact CE1-CZ 3.7Å; H937-F969 AromaticContact CG-CE1 3.94Å; H937-F969 AromaticContact ND1-CD1 3.46Å; H937-F969 WeakPolarHBondContact ND1-CD1 3.39Å; H937-F969 AromaticContact ND1-CE1 3.24Å; H937-F969 WeakPolarHBondContact ND1-CE1 3.46Å; H937-F969 AromaticContact ND1-CZ 3.74Å | ||
| 938 | M | 76.3 | Confident | 75.9 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | trans | -113.9 | 81.9 | -178.7 | -67.8 | -68.9 | -81.7 | 0 | 0 | 109.8 | L726 F809 N810 L813 Q909 Y912 I936 H940 | L726-M938 HydrophobicContact CD1-SD 4.46Å; L726-M938 HydrophobicContact CD2-CE 3.53Å; L726-M938 HydrophobicContact CD2-SD 4.06Å; L726-M938 HydrophobicContact CG-CE 4.28Å; L726-M938 HydrophobicContact CG-SD 4.16Å; F809-M938 HydrophobicContact CE1-SD 4.2Å; N810-M938 WeakPolarHBondContact OD1-CE 3.28Å; L813-M938 HydrophobicContact CD1-CE 3.74Å; Q909-M938 PolarHBondContact OE1-O 2.75Å; Y912-M938 HydrophobicContact CD2-CG 3.92Å; Y912-M938 HydrophobicContact CE2-CB 4.36Å; Y912-M938 HydrophobicContact CE2-CG 3.63Å; I936-M938 HydrophobicContact CG2-SD 4.33Å; M938-H940 PolarHBondContact O-N 2.89Å | ||
| 939 | P | 78.7 | Confident | 74.6 | Confident | 18 Ų | 18 | 52.4 Ų | 52.4 | 12% | 0.117 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 132 | -177.2 | 23.6 | -32.5 | 0 | 0 | 0 | 112.2 | L726 H937 R941 F969 E971 | L726-P939 HydrophobicContact CD1-CG 4Å; L726-P939 WeakPolarHBondContact CD1-O 3.21Å; H937-P939 WeakPolarHBondContact O-CD 3.23Å; P939-R941 PolarHBondContact O-N 2.9Å; P939-F969 WeakPolarHBondContact CA-O 3.25Å; P939-F969 HydrophobicContact CB-CB 4.42Å; P939-E971 HydrophobicContact CB-CB 4.26Å |
| 940 | H | 80.5 | Confident | 73.8 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 28% | 0.282 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -70.6 | 125.7 | 174.7 | -170.4 | 91 | 0 | 0 | 0 | 110.2 | M938 F953 F969 E971 | M938-H940 PolarHBondContact O-N 2.89Å; H940-F953 HydrophobicContact CB-CE2 4Å; H940-F953 AromaticContact CD2-CD2 3.81Å; H940-F953 AromaticContact CD2-CE2 3.53Å; H940-F953 AromaticContact CG-CE2 3.73Å; H940-F969 PolarHBondContact N-O 3.31Å; H940-E971 PolarHBondContact O-N 3.3Å |
| 941 | R | 73.6 | Confident | 73.4 | Confident | 118 Ų | 118 | 53.7 Ų | 53.7 | 45% | 0.445 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 120.8 | 178.2 | -91.1 | -171.6 | 157.1 | 177.1 | -9.7 | 111.8 | P939 E971 | P939-R941 PolarHBondContact O-N 2.9Å; R941-E971 HydrophobicContact CG-CB 4.18Å; R941-E971 WeakPolarHBondContact CG-OE2 3.1Å; R941-E971 IonicContact CZ-OE1 2.7Å; R941-E971 VanDerWaalsContact CZ-OE1 3.29Å; R941-E971 IonicContact CZ-OE2 3.37Å; R941-E971 IonicContact NE-OE1 2.84Å; R941-E971 PolarHBondContact NE-OE1 3.39Å; R941-E971 IonicContact NE-OE2 2.91Å; R941-E971 PolarHBondContact NE-OE2 2.86Å; R941-E971 IonicContact NH2-OE1 2.85Å; R941-E971 PolarHBondContact NH2-OE1 2.97Å; R941-E971 IonicContact NH2-OE2 2.7Å; R941-E971 PolarHBondContact NH2-OE2 2.83Å |
| 942 | L | 75.3 | Confident | 73 | Confident | 28 Ų | 28 | 57.9 Ų | 57.9 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 131.3 | 173.4 | -54.1 | -177.3 | 0 | 0 | 0 | 110.4 | R944 P951 F953 I970 P973 F1085 | L942-R944 PolarHBondContact O-N 3.13Å; L942-P951 HydrophobicContact CD1-CB 4.47Å; L942-F953 HydrophobicContact CD1-CB 4.44Å; L942-F953 HydrophobicContact CD2-CB 3.69Å; L942-F953 HydrophobicContact CD2-CD2 3.59Å; L942-F953 HydrophobicContact CD2-CG 4.03Å; L942-I970 HydrophobicContact CD1-CG2 4.24Å; L942-I970 HydrophobicContact CD2-CG2 4.4Å; L942-I970 HydrophobicContact CG-CG2 4.34Å; L942-P973 HydrophobicContact CD1-CG 3.83Å; L942-F1085 HydrophobicContact CD1-CD2 3.77Å; L942-F1085 HydrophobicContact CD1-CE2 3.42Å; L942-F1085 VanDerWaalsContact CD1-CE2 3.42Å; L942-F1085 HydrophobicContact CD1-CZ 4.25Å |
| 943 | H | 63.3 | Low | 72.8 | Confident | 100 Ų | 100 | 58.1 Ų | 58.1 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 121.4 | -176.6 | -154.5 | -99.5 | 0 | 0 | 0 | 109.7 | R730 D945 | R730-H943 PolarHBondContact NH1-NE2 2.77Å; R730-H943 PolarHBondContact NH2-CE1 3.45Å; R730-H943 VanDerWaalsContact NH2-CE1 3.25Å; R730-H943 PolarHBondContact NH2-NE2 2.51Å; H943-D945 VanDerWaalsContact C-N 3.26Å; H943-D945 IonicContact CE1-OD1 3.6Å; H943-D945 PolarHBondContact CE1-OD1 3.03Å; H943-D945 IonicContact CG-OD1 3.65Å; H943-D945 IonicContact ND1-OD1 3.29Å; H943-D945 PolarHBondContact ND1-OD1 3.1Å; H943-D945 IonicContact ND1-OD2 3.38Å; H943-D945 PolarHBondContact O-N 3.28Å |
| 944 | R | 57 | Low | 72.7 | Confident | 185 Ų | 185 | 60.4 Ų | 60.4 | 70% | 0.698 | 29% | 0.293 | S | S | * | . | trans | -78.2 | 75.6 | 176.8 | -79.4 | -174.6 | 169.2 | 178.1 | -4.6 | 110.5 | L942 | L942-R944 PolarHBondContact O-N 3.13Š| ||
| 945 | D | 49.9 | Very low | 72.8 | Confident | 110 Ų | 110 | 60.4 Ų | 60.4 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | trans | -72 | 147.1 | 171.7 | -68.4 | -37.1 | 0 | 0 | 0 | 111.4 | H943 F947 | H943-D945 VanDerWaalsContact C-N 3.26Å; H943-D945 IonicContact CE1-OD1 3.6Å; H943-D945 PolarHBondContact CE1-OD1 3.03Å; H943-D945 IonicContact CG-OD1 3.65Å; H943-D945 IonicContact ND1-OD1 3.29Å; H943-D945 PolarHBondContact ND1-OD1 3.1Å; H943-D945 IonicContact ND1-OD2 3.38Å; H943-D945 PolarHBondContact O-N 3.28Å; D945-F947 PolarHBondContact O-N 3.1Å | ||
| 946 | C | 42.2 | Very low | 73 | Confident | 100 Ų | 100 | 61.5 Ų | 61.5 | 68% | 0.676 | 30% | 0.301 | S | S | * | . | trans | -90.4 | 116.4 | -156.1 | -60 | 0 | 0 | 0 | 0 | 113.6 | S948 | C946-S948 PolarHBondContact O-N 3.01Š| ||
| 947 | F | 47.5 | Very low | 73.3 | Confident | 139 Ų | 139 | 62 Ų | 62 | 61% | 0.61 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 71.9 | 17.5 | 156.6 | -55.6 | -70.2 | 0 | 0 | 0 | 119.8 | D945 Q1282 | D945-F947 PolarHBondContact O-N 3.1Å; F947-Q1282 HydrophobicContact CD1-CG 3.9Å; F947-Q1282 HydrophobicContact CE1-CG 4.18Å; F947-Q1282 HydrophobicContact CG-CG 4.49Å |
| 948 | S | 53.4 | Low | 73.8 | Confident | 75 Ų | 75 | 66 Ų | 66 | 52% | 0.524 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -127.8 | -20.5 | -179.7 | 62.2 | 0 | 0 | 0 | 0 | 118.6 | C946 | C946-S948 PolarHBondContact O-N 3.01Š|
| 949 | D | 66.3 | Low | 74.4 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 45% | 0.449 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -151.3 | 169 | -169.2 | -142.8 | -52.7 | 0 | 0 | 0 | 113.4 | R952 | D949-R952 VanDerWaalsContact CG-NH2 3.26Å; D949-R952 IonicContact OD1-CZ 2.98Å; D949-R952 IonicContact OD1-NE 2.67Å; D949-R952 PolarHBondContact OD1-NE 2.71Å; D949-R952 VanDerWaalsContact OD1-NE 3.15Å; D949-R952 IonicContact OD1-NH2 3.32Å; D949-R952 PolarHBondContact OD1-NH2 2.71Å; D949-R952 IonicContact OD2-CZ 3.37Å; D949-R952 IonicContact OD2-NH2 2.85Å; D949-R952 PolarHBondContact OD2-NH2 2.85Å |
| 950 | H | 75.7 | Confident | 74.4 | Confident | 26 Ų | 26 | 65.3 Ų | 65.3 | 12% | 0.12 | 32% | 0.315 | C | S | . | . | trans | -68.3 | 148.8 | 171.5 | -73.4 | -76.6 | 0 | 0 | 0 | 111.2 | R952 F1085 R1086 I1113 E1115 | H950-R952 WeakPolarHBondContact O-CG 3.42Å; H950-R952 PolarHBondContact O-N 2.61Å; H950-F1085 PolarHBondContact ND1-O 3.45Å; H950-F1085 VanDerWaalsContact ND1-O 3.14Å; H950-R1086 WeakPolarHBondContact CE1-CD 3.1Å; H950-R1086 PolarHBondContact CE1-NE 2.79Å; H950-R1086 PolarHBondContact NE2-NE 3.33Å; H950-R1086 PolarHBondContact NE2-NH1 3.49Å; H950-I1113 WeakPolarHBondContact CE1-CG2 3.37Å; H950-I1113 WeakPolarHBondContact NE2-CG2 3.4Å; H950-E1115 IonicContact CE1-OE1 3.25Å | ||
| 951 | P | 83.1 | Confident | 73.9 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 17% | 0.169 | 31% | 0.309 | C | S | . | . | trans | -62.2 | 122.4 | 167.8 | -17.8 | 30.7 | 0 | 0 | 0 | 110.1 | L942 P973 Y1084 F1085 F1112 | L942-P951 HydrophobicContact CD1-CB 4.47Å; P951-P973 HydrophobicContact CB-CB 4.36Å; P951-P973 HydrophobicContact CB-CG 3.76Å; P951-P973 HydrophobicContact CG-CB 4.17Å; P951-P973 HydrophobicContact CG-CG 4.1Å; P951-Y1084 VanDerWaalsContact O-CA 3.28Å; P951-Y1084 WeakPolarHBondContact O-CA 3.37Å; P951-Y1084 WeakPolarHBondContact O-CB 3.28Å; P951-F1085 HydrophobicContact CB-CB 4.44Å; P951-F1085 HydrophobicContact CB-CD2 4.5Å; P951-F1085 PolarHBondContact O-N 2.76Å; P951-F1112 HydrophobicContact CG-CD1 3.83Å; P951-F1112 HydrophobicContact CG-CD2 4.32Å; P951-F1112 HydrophobicContact CG-CE1 3.89Å; P951-F1112 HydrophobicContact CG-CE2 4.35Å; P951-F1112 HydrophobicContact CG-CG 4.08Å; P951-F1112 HydrophobicContact CG-CZ 4.17Å | ||
| 952 | R | 83.8 | Confident | 73.9 | Confident | 106 Ų | 106 | 62.9 Ų | 62.9 | 40% | 0.4 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 147.4 | -179 | -37.4 | -158.4 | -165.2 | 178.6 | 5.5 | 111.9 | D949 H950 E1082 L1083 | D949-R952 VanDerWaalsContact CG-NH2 3.26Å; D949-R952 IonicContact OD1-CZ 2.98Å; D949-R952 IonicContact OD1-NE 2.67Å; D949-R952 PolarHBondContact OD1-NE 2.71Å; D949-R952 VanDerWaalsContact OD1-NE 3.15Å; D949-R952 IonicContact OD1-NH2 3.32Å; D949-R952 PolarHBondContact OD1-NH2 2.71Å; D949-R952 IonicContact OD2-CZ 3.37Å; D949-R952 IonicContact OD2-NH2 2.85Å; D949-R952 PolarHBondContact OD2-NH2 2.85Å; H950-R952 WeakPolarHBondContact O-CG 3.42Å; H950-R952 PolarHBondContact O-N 2.61Å; R952-E1082 WeakPolarHBondContact CD-OE1 3.44Å; R952-E1082 IonicContact CZ-OE1 2.63Å; R952-E1082 IonicContact NE-OE1 3.35Å; R952-E1082 IonicContact NH1-OE1 2.75Å; R952-E1082 PolarHBondContact NH1-OE1 2.95Å; R952-L1083 CarbonylContact C-O 3.54Å; R952-L1083 WeakPolarHBondContact CA-O 3.33Å |
| 953 | F | 88.8 | Confident | 74.2 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 109.3 | 177 | -179.7 | -113.1 | 0 | 0 | 0 | 108.8 | V906 H940 L942 F955 W968 I970 L1083 | V906-F953 HydrophobicContact CB-CE2 3.77Å; V906-F953 HydrophobicContact CB-CZ 3.84Å; V906-F953 HydrophobicContact CG1-CE2 3.98Å; V906-F953 HydrophobicContact CG1-CZ 3.94Å; V906-F953 HydrophobicContact CG2-CE2 3.79Å; V906-F953 HydrophobicContact CG2-CZ 4.38Å; H940-F953 HydrophobicContact CB-CE2 4Å; H940-F953 AromaticContact CD2-CD2 3.81Å; H940-F953 AromaticContact CD2-CE2 3.53Å; H940-F953 AromaticContact CG-CE2 3.73Å; L942-F953 HydrophobicContact CD1-CB 4.44Å; L942-F953 HydrophobicContact CD2-CB 3.69Å; L942-F953 HydrophobicContact CD2-CD2 3.59Å; L942-F953 HydrophobicContact CD2-CG 4.03Å; F953-F955 HydrophobicContact CD1-CB 4.3Å; F953-F955 AromaticContact CD1-CD1 3.62Å; F953-F955 HydrophobicContact CD1-CD1 3.62Å; F953-F955 HydrophobicContact CD1-CE1 4.43Å; F953-F955 HydrophobicContact CD1-CG 4.33Å; F953-F955 HydrophobicContact CE1-CB 3.74Å; F953-F955 AromaticContact CE1-CD1 3.74Å; F953-F955 HydrophobicContact CE1-CD1 3.74Å; F953-F955 AromaticContact CE1-CG 3.99Å; F953-F955 HydrophobicContact CE1-CG 3.99Å; F953-F955 HydrophobicContact CZ-CB 4.18Å; F953-W968 HydrophobicContact CE1-CB 4.09Å; F953-W968 AromaticContact CE1-CD1 3.92Å; F953-W968 HydrophobicContact CE1-CG 4.12Å; F953-W968 HydrophobicContact CZ-CB 4.31Å; F953-W968 AromaticContact CZ-CD1 3.77Å; F953-W968 HydrophobicContact CZ-CG 4.3Å; F953-I970 HydrophobicContact CD1-CD1 3.45Å; F953-I970 VanDerWaalsContact CD1-CD1 3.45Å; F953-I970 HydrophobicContact CD1-CG1 4.22Å; F953-I970 HydrophobicContact CE1-CD1 3.5Å; F953-I970 HydrophobicContact CE1-CG1 3.98Å; F953-I970 HydrophobicContact CG-CD1 4.16Å; F953-I970 HydrophobicContact CZ-CD1 4.25Å; F953-I970 HydrophobicContact CZ-CG1 4.25Å; F953-L1083 HydrophobicContact CB-CB 4.34Å; F953-L1083 HydrophobicContact CD1-CB 4.49Å; F953-L1083 PolarHBondContact N-O 2.56Å; F953-L1083 PolarHBondContact O-N 2.79Å |
| 954 | L | 90.1 | Very high | 75.1 | Confident | 54 Ų | 54 | 59.1 Ų | 59.1 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.5 | 177.8 | -166.7 | 74 | 0 | 0 | 0 | 109.6 | P905 V906 E1082 | P905-L954 WeakPolarHBondContact CA-O 3.47Å; P905-L954 HydrophobicContact CB-CG 4.42Å; P905-L954 HydrophobicContact CG-CD2 3.95Å; P905-L954 HydrophobicContact CG-CG 4.32Å; V906-L954 PolarHBondContact N-O 3.04Å; L954-E1082 HydrophobicContact CD1-CB 4.26Å |
| 955 | F | 92.4 | Very high | 76.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 154.7 | -175.8 | 64.9 | -88.2 | 0 | 0 | 0 | 112.3 | V906 F953 W968 L981 L983 L1065 I1067 G1081 L1083 | V906-F955 WeakPolarHBondContact O-CA 3.35Å; V906-F955 VanDerWaalsContact O-CB 3.23Å; V906-F955 WeakPolarHBondContact O-CB 3.08Å; F953-F955 HydrophobicContact CD1-CB 4.3Å; F953-F955 AromaticContact CD1-CD1 3.62Å; F953-F955 HydrophobicContact CD1-CD1 3.62Å; F953-F955 HydrophobicContact CD1-CE1 4.43Å; F953-F955 HydrophobicContact CD1-CG 4.33Å; F953-F955 HydrophobicContact CE1-CB 3.74Å; F953-F955 AromaticContact CE1-CD1 3.74Å; F953-F955 HydrophobicContact CE1-CD1 3.74Å; F953-F955 AromaticContact CE1-CG 3.99Å; F953-F955 HydrophobicContact CE1-CG 3.99Å; F953-F955 HydrophobicContact CZ-CB 4.18Å; F955-W968 HydrophobicContact CB-CZ2 4.43Å; F955-W968 HydrophobicContact CD2-CD2 4.2Å; F955-W968 AromaticContact CD2-CE2 3.71Å; F955-W968 HydrophobicContact CD2-CE3 4.49Å; F955-W968 AromaticContact CD2-CH2 3.93Å; F955-W968 HydrophobicContact CD2-CH2 3.93Å; F955-W968 AromaticContact CD2-CZ2 3.56Å; F955-W968 HydrophobicContact CD2-CZ2 3.56Å; F955-W968 HydrophobicContact CD2-CZ3 4.38Å; F955-W968 HydrophobicContact CE2-CH2 4.22Å; F955-W968 HydrophobicContact CE2-CZ2 4.31Å; F955-W968 HydrophobicContact CE2-CZ3 4.43Å; F955-W968 HydrophobicContact CG-CZ2 4.38Å; F955-L981 HydrophobicContact CE1-CD1 3.87Å; F955-L981 HydrophobicContact CZ-CD1 3.69Å; F955-L983 HydrophobicContact CE2-CD2 3.9Å; F955-L983 HydrophobicContact CZ-CD2 3.66Å; F955-L1065 HydrophobicContact CD1-CD2 4.44Å; F955-L1065 HydrophobicContact CE1-CD2 3.78Å; F955-L1065 HydrophobicContact CE2-CD2 4.11Å; F955-L1065 HydrophobicContact CZ-CD2 3.59Å; F955-I1067 HydrophobicContact CE2-CD1 3.94Å; F955-I1067 HydrophobicContact CZ-CD1 4.43Å; F955-G1081 WeakPolarHBondContact CD1-O 3.24Å; F955-G1081 VanDerWaalsContact CE1-C 3.46Å; F955-G1081 PolarHBondContact N-O 3.18Å; F955-G1081 PolarHBondContact O-N 3.07Å; F955-L1083 HydrophobicContact CE1-CB 4.32Å |
| 956 | S | 91.9 | Very high | 78.6 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 146.4 | 172.3 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | V906 V1079 | V906-S956 PolarHBondContact O-N 3.5Å; S956-V1079 VanDerWaalsContact CA-O 3.22Å; S956-V1079 WeakPolarHBondContact CA-O 3.33Å; S956-V1079 WeakPolarHBondContact CB-O 3.23Å; S956-V1079 PolarHBondContact OG-O 3.06Å |
| 957 | D | 91.8 | Very high | 81 | Confident | 15 Ų | 15 | 44.4 Ų | 44.4 | 8% | 0.08 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 161.2 | 170.8 | -141 | -38.9 | 0 | 0 | 0 | 112.4 | S908 R966 W968 V1079 | S908-D957 WeakPolarHBondContact CB-OD2 3.34Å; S908-D957 PolarHBondContact N-OD2 2.59Å; S908-D957 PolarHBondContact OG-OD2 2.91Å; D957-R966 HydrophobicContact CB-CG 4.29Å; D957-R966 VanDerWaalsContact CG-CZ 3.4Å; D957-R966 IonicContact OD1-CZ 3.02Å; D957-R966 IonicContact OD1-NE 2.71Å; D957-R966 IonicContact OD1-NH1 3.65Å; D957-R966 PolarHBondContact OD1-NH1 2.96Å; D957-R966 IonicContact OD1-NH2 3.23Å; D957-R966 PolarHBondContact OD1-NH2 3.27Å; D957-R966 IonicContact OD2-CZ 3.24Å; D957-R966 IonicContact OD2-NE 3.82Å; D957-R966 IonicContact OD2-NH1 2.78Å; D957-R966 PolarHBondContact OD2-NH1 2.93Å; D957-R966 VanDerWaalsContact OD2-NH1 3.17Å; D957-W968 HydrophobicContact CB-CH2 4.38Å; D957-W968 HydrophobicContact CB-CZ2 3.96Å; D957-V1079 PolarHBondContact N-O 3.38Å; D957-V1079 PolarHBondContact O-N 2.86Å |
| 958 | R | 89.2 | Confident | 83.1 | Confident | 88 Ų | 88 | 38 Ų | 38 | 33% | 0.332 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.6 | 175.8 | -173.4 | 175.3 | -175.5 | 168.1 | 3.3 | 109.3 | E883 R966 I1078 | E883-R958 IonicContact OE2-NH1 3.59Å; E883-R958 PolarHBondContact OE2-NH1 3.36Å; E883-R958 IonicContact OE2-NH2 2.79Å; R958-R966 VanDerWaalsContact O-CZ 3.26Å; R958-R966 PolarHBondContact O-NE 2.85Å; R958-R966 PolarHBondContact O-NH2 3.35Å; R958-I1078 HydrophobicContact CB-CG1 4.4Å; R958-I1078 HydrophobicContact CG-CG1 4.23Å |
| 959 | F | 87.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -89.9 | 141.6 | 168.2 | -67.1 | -100 | 0 | 0 | 0 | 108.3 | R966 F996 I1067 Q1069 P1076 A1077 V1079 | F959-R966 HydrophobicContact CD1-CG 3.92Å; F959-R966 HydrophobicContact CD2-CG 4.45Å; F959-R966 HydrophobicContact CE1-CB 3.79Å; F959-R966 HydrophobicContact CE1-CG 3.41Å; F959-R966 VanDerWaalsContact CE1-CG 3.41Å; F959-R966 HydrophobicContact CE2-CB 4.46Å; F959-R966 HydrophobicContact CE2-CG 3.97Å; F959-R966 HydrophobicContact CG-CG 4.42Å; F959-R966 HydrophobicContact CZ-CB 3.62Å; F959-R966 HydrophobicContact CZ-CG 3.44Å; F959-R966 VanDerWaalsContact CZ-CG 3.44Å; F959-F996 HydrophobicContact CD1-CE1 4.04Å; F959-F996 HydrophobicContact CD2-CE1 4.06Å; F959-F996 HydrophobicContact CE1-CD1 4.43Å; F959-F996 HydrophobicContact CE1-CE1 4.2Å; F959-F996 HydrophobicContact CE2-CE1 4.26Å; F959-F996 AromaticContact CG-CE1 3.96Å; F959-F996 HydrophobicContact CG-CE1 3.96Å; F959-F996 HydrophobicContact CZ-CE1 4.32Å; F959-I1067 HydrophobicContact CE1-CB 4.38Å; F959-I1067 HydrophobicContact CE1-CG2 4.01Å; F959-I1067 WeakPolarHBondContact CE1-O 3.4Å; F959-I1067 HydrophobicContact CE2-CG2 4.45Å; F959-I1067 HydrophobicContact CZ-CB 3.89Å; F959-I1067 HydrophobicContact CZ-CG2 3.56Å; F959-Q1069 HydrophobicContact CB-CB 4.44Å; F959-Q1069 HydrophobicContact CD1-CB 3.98Å; F959-P1076 CarbonylContact O-C 3.54Å; F959-P1076 WeakPolarHBondContact O-CA 3.24Å; F959-A1077 PolarHBondContact N-O 2.92Å; F959-A1077 PolarHBondContact O-N 2.8Å; F959-V1079 HydrophobicContact CD2-CB 4.39Å; F959-V1079 HydrophobicContact CD2-CG2 3.84Å; F959-V1079 HydrophobicContact CE2-CB 3.85Å; F959-V1079 HydrophobicContact CE2-CG2 3.6Å | ||
| 960 | D | 79.7 | Confident | 85.9 | Confident | 30 Ų | 30 | 30.7 Ų | 30.7 | 16% | 0.16 | 15% | 0.145 | C | C | . | . | trans | -158.7 | 173.7 | -179.9 | 65.1 | 54.4 | 0 | 0 | 0 | 110 | K962 N963 K964 | D960-K962 PolarHBondContact O-N 2.9Å; D960-K962 VanDerWaalsContact O-N 3.08Å; D960-K962 VanDerWaalsContact OD1-CA 3.3Å; D960-K962 WeakPolarHBondContact OD1-CA 3.37Å; D960-K962 VanDerWaalsContact OD1-CB 3.29Å; D960-K962 WeakPolarHBondContact OD1-CB 3.41Å; D960-K962 PolarHBondContact OD1-N 2.93Å; D960-N963 CarbonylContact O-C 3.55Å; D960-N963 PolarHBondContact O-N 3.03Å; D960-N963 PolarHBondContact OD1-N 2.75Å; D960-N963 PolarHBondContact OD1-ND2 2.83Å; D960-N963 VanDerWaalsContact OD1-ND2 3.11Å; D960-N963 PolarHBondContact OD2-ND2 2.87Å; D960-K964 VanDerWaalsContact O-CG 3.24Å; D960-K964 WeakPolarHBondContact O-CG 3.32Å; D960-K964 PolarHBondContact O-N 3.06Å | ||
| 961 | A | 70.3 | Confident | 86.3 | Confident | 20 Ų | 20 | 32.1 Ų | 32.1 | 17% | 0.165 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -57.6 | -21.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T529 E1074 | T529-A961 WeakPolarHBondContact CG2-O 3.49Å; A961-E1074 WeakPolarHBondContact CB-OE2 3.49Å |
| 962 | K | 73.7 | Confident | 86.4 | Confident | 108 Ų | 108 | 31.6 Ų | 31.6 | 47% | 0.47 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -90.6 | -33.1 | 173.5 | -55.9 | 176.5 | -175.9 | 175.4 | 0 | 111.8 | D960 | D960-K962 PolarHBondContact O-N 2.9Å; D960-K962 VanDerWaalsContact O-N 3.08Å; D960-K962 VanDerWaalsContact OD1-CA 3.3Å; D960-K962 WeakPolarHBondContact OD1-CA 3.37Å; D960-K962 VanDerWaalsContact OD1-CB 3.29Å; D960-K962 WeakPolarHBondContact OD1-CB 3.41Å; D960-K962 PolarHBondContact OD1-N 2.93Å |
| 963 | N | 80.4 | Confident | 86.5 | Confident | 37 Ų | 37 | 27.2 Ų | 27.2 | 20% | 0.198 | 13% | 0.133 | C | C | . | . | trans | -120.2 | 47.5 | -168.1 | -56.9 | -71.2 | 0 | 0 | 0 | 113.1 | D960 V965 | D960-N963 CarbonylContact O-C 3.55Å; D960-N963 PolarHBondContact O-N 3.03Å; D960-N963 PolarHBondContact OD1-N 2.75Å; D960-N963 PolarHBondContact OD1-ND2 2.83Å; D960-N963 VanDerWaalsContact OD1-ND2 3.11Å; D960-N963 PolarHBondContact OD2-ND2 2.87Å; N963-V965 PolarHBondContact O-N 3.4Å | ||
| 964 | K | 83.8 | Confident | 86 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | trans | -65.7 | -14.8 | 179.8 | -60.6 | -162.8 | -172.4 | -163.9 | 0 | 114.4 | T529 D960 A1068 Q1069 W1071 L1073 E1074 | T529-K964 HydrophobicContact CG2-CD 4.34Å; T529-K964 HydrophobicContact CG2-CG 4.47Å; D960-K964 VanDerWaalsContact O-CG 3.24Å; D960-K964 WeakPolarHBondContact O-CG 3.32Å; D960-K964 PolarHBondContact O-N 3.06Å; K964-A1068 CarbonylContact O-C 3.58Å; K964-A1068 VanDerWaalsContact O-CA 3.22Å; K964-A1068 WeakPolarHBondContact O-CA 3.41Å; K964-Q1069 HydrophobicContact CB-CB 4.4Å; K964-Q1069 PolarHBondContact O-N 3.28Å; K964-W1071 PolarHBondContact NZ-O 3.3Å; K964-L1073 WeakPolarHBondContact CE-O 3.39Å; K964-L1073 PolarHBondContact NZ-O 3.36Å; K964-E1074 VanDerWaalsContact CE-OE1 3.3Å; K964-E1074 WeakPolarHBondContact CE-OE1 3.42Å; K964-E1074 IonicContact NZ-OE1 3.16Å; K964-E1074 PolarHBondContact NZ-OE1 2.99Å | ||
| 965 | V | 88.6 | Confident | 85.5 | Confident | 33 Ų | 33 | 32.9 Ų | 32.9 | 20% | 0.2 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.2 | 175.6 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | P447 N963 R967 T1066 A1068 | P447-V965 HydrophobicContact CB-CG1 4.16Å; N963-V965 PolarHBondContact O-N 3.4Å; V965-R967 HydrophobicContact CG1-CG 4.34Å; V965-T1066 HydrophobicContact CG1-CG2 3.7Å; V965-A1068 HydrophobicContact CB-CB 4.44Å; V965-A1068 HydrophobicContact CG1-CB 4.32Å; V965-A1068 HydrophobicContact CG2-CB 3.93Å |
| 966 | R | 91.2 | Very high | 85.2 | Confident | 33 Ų | 33 | 33.1 Ų | 33.1 | 13% | 0.125 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.2 | -179.4 | -66.1 | -70.2 | -175.2 | 178.4 | 2.9 | 109.2 | S908 D957 R958 F959 W968 T1066 I1067 | S908-R966 WeakPolarHBondContact OG-CD 3.33Å; S908-R966 PolarHBondContact OG-NH1 2.8Å; D957-R966 HydrophobicContact CB-CG 4.29Å; D957-R966 VanDerWaalsContact CG-CZ 3.4Å; D957-R966 IonicContact OD1-CZ 3.02Å; D957-R966 IonicContact OD1-NE 2.71Å; D957-R966 IonicContact OD1-NH1 3.65Å; D957-R966 PolarHBondContact OD1-NH1 2.96Å; D957-R966 IonicContact OD1-NH2 3.23Å; D957-R966 PolarHBondContact OD1-NH2 3.27Å; D957-R966 IonicContact OD2-CZ 3.24Å; D957-R966 IonicContact OD2-NE 3.82Å; D957-R966 IonicContact OD2-NH1 2.78Å; D957-R966 PolarHBondContact OD2-NH1 2.93Å; D957-R966 VanDerWaalsContact OD2-NH1 3.17Å; R958-R966 VanDerWaalsContact O-CZ 3.26Å; R958-R966 PolarHBondContact O-NE 2.85Å; R958-R966 PolarHBondContact O-NH2 3.35Å; F959-R966 HydrophobicContact CD1-CG 3.92Å; F959-R966 HydrophobicContact CD2-CG 4.45Å; F959-R966 HydrophobicContact CE1-CB 3.79Å; F959-R966 HydrophobicContact CE1-CG 3.41Å; F959-R966 VanDerWaalsContact CE1-CG 3.41Å; F959-R966 HydrophobicContact CE2-CB 4.46Å; F959-R966 HydrophobicContact CE2-CG 3.97Å; F959-R966 HydrophobicContact CG-CG 4.42Å; F959-R966 HydrophobicContact CZ-CB 3.62Å; F959-R966 HydrophobicContact CZ-CG 3.44Å; F959-R966 VanDerWaalsContact CZ-CG 3.44Å; R966-W968 HydrophobicContact CB-CH2 3.64Å; R966-W968 HydrophobicContact CB-CZ2 4.47Å; R966-W968 HydrophobicContact CB-CZ3 3.73Å; R966-T1066 WeakPolarHBondContact O-CA 3.47Å; R966-I1067 PolarHBondContact N-O 3.4Å; R966-I1067 PolarHBondContact O-N 2.99Å |
| 967 | R | 91.7 | Very high | 85.1 | Confident | 20 Ų | 20 | 32.4 Ų | 32.4 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142 | -174.9 | -51.4 | -160.1 | 169.9 | 87.8 | -3 | 111.4 | P447 D627 S908 Q909 V965 F969 E1064 L1065 T1066 | P447-R967 PolarHBondContact O-NH2 3.33Å; D627-R967 IonicContact OD1-NH2 3.81Å; D627-R967 PolarHBondContact OD1-NH2 3.39Å; S908-R967 CarbonylContact C-O 3.58Å; S908-R967 VanDerWaalsContact CA-O 3.29Å; S908-R967 WeakPolarHBondContact CA-O 3.4Å; S908-R967 VanDerWaalsContact CB-O 3.24Å; S908-R967 WeakPolarHBondContact CB-O 3.43Å; Q909-R967 PolarHBondContact N-O 3.19Å; V965-R967 HydrophobicContact CG1-CG 4.34Å; R967-F969 HydrophobicContact CB-CZ 4.42Å; R967-E1064 IonicContact NE-OE1 3.83Å; R967-L1065 CarbonylContact C-O 3.55Å; R967-L1065 WeakPolarHBondContact CA-O 3.36Å; R967-T1066 WeakPolarHBondContact CD-OG1 3.29Å; R967-T1066 HydrophobicContact CG-CG2 4Å; R967-T1066 VanDerWaalsContact CG-OG1 3.24Å; R967-T1066 WeakPolarHBondContact CG-OG1 3.43Å |
| 968 | W | 92.5 | Very high | 85 | Confident | 6 Ų | 6 | 31.7 Ų | 31.7 | 2% | 0.023 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122.6 | 172.4 | -63.4 | -96.7 | 0 | 0 | 0 | 108.8 | V906 K907 F953 F955 D957 R966 I970 L1065 I1067 | V906-W968 PolarHBondContact O-NE1 3.48Å; K907-W968 VanDerWaalsContact C-NE1 3.33Å; K907-W968 PolarHBondContact O-NE1 3.22Å; F953-W968 HydrophobicContact CE1-CB 4.09Å; F953-W968 AromaticContact CE1-CD1 3.92Å; F953-W968 HydrophobicContact CE1-CG 4.12Å; F953-W968 HydrophobicContact CZ-CB 4.31Å; F953-W968 AromaticContact CZ-CD1 3.77Å; F953-W968 HydrophobicContact CZ-CG 4.3Å; F955-W968 HydrophobicContact CB-CZ2 4.43Å; F955-W968 HydrophobicContact CD2-CD2 4.2Å; F955-W968 AromaticContact CD2-CE2 3.71Å; F955-W968 HydrophobicContact CD2-CE3 4.49Å; F955-W968 AromaticContact CD2-CH2 3.93Å; F955-W968 HydrophobicContact CD2-CH2 3.93Å; F955-W968 AromaticContact CD2-CZ2 3.56Å; F955-W968 HydrophobicContact CD2-CZ2 3.56Å; F955-W968 HydrophobicContact CD2-CZ3 4.38Å; F955-W968 HydrophobicContact CE2-CH2 4.22Å; F955-W968 HydrophobicContact CE2-CZ2 4.31Å; F955-W968 HydrophobicContact CE2-CZ3 4.43Å; F955-W968 HydrophobicContact CG-CZ2 4.38Å; D957-W968 HydrophobicContact CB-CH2 4.38Å; D957-W968 HydrophobicContact CB-CZ2 3.96Å; R966-W968 HydrophobicContact CB-CH2 3.64Å; R966-W968 HydrophobicContact CB-CZ2 4.47Å; R966-W968 HydrophobicContact CB-CZ3 3.73Å; W968-I970 HydrophobicContact CB-CD1 4.38Å; W968-I970 HydrophobicContact CB-CG1 4.31Å; W968-L1065 HydrophobicContact CB-CB 4.46Å; W968-L1065 HydrophobicContact CE3-CD2 4.35Å; W968-L1065 HydrophobicContact CE3-CG 4.25Å; W968-L1065 PolarHBondContact N-O 2.74Å; W968-L1065 PolarHBondContact O-N 2.94Å; W968-I1067 HydrophobicContact CH2-CD1 4.31Å; W968-I1067 HydrophobicContact CZ3-CB 4.17Å; W968-I1067 HydrophobicContact CZ3-CD1 3.88Å; W968-I1067 HydrophobicContact CZ3-CG1 4Å |
| 969 | F | 88.9 | Confident | 85.1 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 131 | 170.5 | -54.8 | -68 | 0 | 0 | 0 | 108.1 | L449 P911 H937 P939 H940 R967 L1063 E1064 | L449-F969 HydrophobicContact CD1-CE1 4.14Å; L449-F969 HydrophobicContact CD1-CZ 3.8Å; P911-F969 HydrophobicContact CB-CE2 4.19Å; P911-F969 HydrophobicContact CB-CZ 4.24Å; H937-F969 HydrophobicContact CB-CD1 4.36Å; H937-F969 HydrophobicContact CB-CD2 4.29Å; H937-F969 HydrophobicContact CB-CG 4.17Å; H937-F969 AromaticContact CE1-CE1 3.38Å; H937-F969 WeakPolarHBondContact CE1-CE1 3.3Å; H937-F969 AromaticContact CE1-CZ 3.7Å; H937-F969 AromaticContact CG-CE1 3.94Å; H937-F969 AromaticContact ND1-CD1 3.46Å; H937-F969 WeakPolarHBondContact ND1-CD1 3.39Å; H937-F969 AromaticContact ND1-CE1 3.24Å; H937-F969 WeakPolarHBondContact ND1-CE1 3.46Å; H937-F969 AromaticContact ND1-CZ 3.74Å; P939-F969 WeakPolarHBondContact CA-O 3.25Å; P939-F969 HydrophobicContact CB-CB 4.42Å; H940-F969 PolarHBondContact N-O 3.31Å; R967-F969 HydrophobicContact CB-CZ 4.42Å; F969-L1063 WeakPolarHBondContact CA-O 3.42Å; F969-E1064 HydrophobicContact CD1-CB 4.05Å; F969-E1064 HydrophobicContact CD1-CG 4.26Å; F969-E1064 HydrophobicContact CE1-CB 4.02Å; F969-E1064 HydrophobicContact CE1-CG 3.82Å |
| 970 | I | 88.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 130 | -168.5 | -50.9 | 174.8 | 0 | 0 | 0 | 108.1 | L942 F953 W968 V972 C1062 L1063 L1065 L1083 F1085 | L942-I970 HydrophobicContact CD1-CG2 4.24Å; L942-I970 HydrophobicContact CD2-CG2 4.4Å; L942-I970 HydrophobicContact CG-CG2 4.34Å; F953-I970 HydrophobicContact CD1-CD1 3.45Å; F953-I970 VanDerWaalsContact CD1-CD1 3.45Å; F953-I970 HydrophobicContact CD1-CG1 4.22Å; F953-I970 HydrophobicContact CE1-CD1 3.5Å; F953-I970 HydrophobicContact CE1-CG1 3.98Å; F953-I970 HydrophobicContact CG-CD1 4.16Å; F953-I970 HydrophobicContact CZ-CD1 4.25Å; F953-I970 HydrophobicContact CZ-CG1 4.25Å; W968-I970 HydrophobicContact CB-CD1 4.38Å; W968-I970 HydrophobicContact CB-CG1 4.31Å; I970-V972 PolarHBondContact O-N 2.95Å; I970-C1062 WeakPolarHBondContact O-CA 3.41Å; I970-L1063 HydrophobicContact CD1-CD2 4.27Å; I970-L1063 PolarHBondContact N-O 2.91Å; I970-L1063 PolarHBondContact O-N 2.56Å; I970-L1065 HydrophobicContact CD1-CB 4.38Å; I970-L1083 HydrophobicContact CD1-CD2 3.61Å; I970-F1085 HydrophobicContact CG2-CE2 4.5Å; I970-F1085 HydrophobicContact CG2-CZ 4.17Å |
| 971 | E | 85.4 | Confident | 85.9 | Confident | 57 Ų | 57 | 26.3 Ų | 26.3 | 27% | 0.266 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 119.9 | 171.7 | -171 | 169.6 | 136.1 | 0 | 0 | 108.6 | P939 H940 R941 P973 | P939-E971 HydrophobicContact CB-CB 4.26Å; H940-E971 PolarHBondContact O-N 3.3Å; R941-E971 HydrophobicContact CG-CB 4.18Å; R941-E971 WeakPolarHBondContact CG-OE2 3.1Å; R941-E971 IonicContact CZ-OE1 2.7Å; R941-E971 VanDerWaalsContact CZ-OE1 3.29Å; R941-E971 IonicContact CZ-OE2 3.37Å; R941-E971 IonicContact NE-OE1 2.84Å; R941-E971 PolarHBondContact NE-OE1 3.39Å; R941-E971 IonicContact NE-OE2 2.91Å; R941-E971 PolarHBondContact NE-OE2 2.86Å; R941-E971 IonicContact NH2-OE1 2.85Å; R941-E971 PolarHBondContact NH2-OE1 2.97Å; R941-E971 IonicContact NH2-OE2 2.7Å; R941-E971 PolarHBondContact NH2-OE2 2.83Å; E971-P973 WeakPolarHBondContact O-CD 3.28Å |
| 972 | V | 85.5 | Confident | 86.9 | Confident | 15 Ų | 15 | 26.7 Ų | 26.7 | 9% | 0.091 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 126.8 | -177.4 | 175.7 | 0 | 0 | 0 | 0 | 108.7 | I970 Y974 A976 I1056 T1060 D1061 L1063 F1085 | I970-V972 PolarHBondContact O-N 2.95Å; V972-Y974 PolarHBondContact O-N 3.41Å; V972-Y974 VanDerWaalsContact O-N 3.12Å; V972-A976 HydrophobicContact CG1-CB 3.94Å; V972-I1056 HydrophobicContact CG1-CG2 3.91Å; V972-T1060 WeakPolarHBondContact CB-O 3.45Å; V972-T1060 WeakPolarHBondContact CG1-O 3.23Å; V972-T1060 HydrophobicContact CG2-CG2 4.02Å; V972-T1060 VanDerWaalsContact CG2-O 3.3Å; V972-T1060 WeakPolarHBondContact CG2-O 3.37Å; V972-D1061 PolarHBondContact N-O 3.27Å; V972-L1063 HydrophobicContact CG2-CB 3.8Å; V972-F1085 HydrophobicContact CG1-CD1 4.49Å; V972-F1085 HydrophobicContact CG1-CE1 4.28Å; V972-F1085 HydrophobicContact CG2-CE1 4.44Å |
| 973 | P | 84.8 | Confident | 87.7 | Confident | 14 Ų | 14 | 21.6 Ų | 21.6 | 9% | 0.091 | 10% | 0.101 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 118.4 | 175.5 | -23.2 | 34.6 | 0 | 0 | 0 | 110.6 | L942 P951 E971 G975 A976 F1085 F1112 | L942-P973 HydrophobicContact CD1-CG 3.83Å; P951-P973 HydrophobicContact CB-CB 4.36Å; P951-P973 HydrophobicContact CB-CG 3.76Å; P951-P973 HydrophobicContact CG-CB 4.17Å; P951-P973 HydrophobicContact CG-CG 4.1Å; E971-P973 WeakPolarHBondContact O-CD 3.28Å; P973-G975 PolarHBondContact O-N 3.34Å; P973-A976 VanDerWaalsContact O-CB 3.28Å; P973-A976 WeakPolarHBondContact O-CB 3.21Å; P973-A976 PolarHBondContact O-N 3.21Å; P973-F1085 HydrophobicContact CG-CB 4.39Å; P973-F1085 HydrophobicContact CG-CD1 4.43Å; P973-F1085 HydrophobicContact CG-CD2 4.14Å; P973-F1085 HydrophobicContact CG-CG 4.06Å; P973-F1112 HydrophobicContact CB-CE1 3.97Å; P973-F1112 HydrophobicContact CB-CZ 3.83Å |
| 974 | Y | 79.3 | Confident | 88 | Confident | 165 Ų | 165 | 19.9 Ų | 19.9 | 65% | 0.647 | 9% | 0.093 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 125.8 | 175.9 | 179.1 | -83 | 0 | 0 | 0 | 110.8 | V972 | V972-Y974 PolarHBondContact O-N 3.41Å; V972-Y974 VanDerWaalsContact O-N 3.12Å |
| 975 | G | 79 | Confident | 88 | Confident | 12 Ų | 12 | 19.9 Ų | 19.9 | 12% | 0.124 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | -4.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P973 G1087 N1111 | P973-G975 PolarHBondContact O-N 3.34Å; G975-G1087 WeakPolarHBondContact O-CA 3.4Å; G975-N1111 WeakPolarHBondContact CA-ND2 2.96Å; G975-N1111 WeakPolarHBondContact O-CB 3.07Å; G975-N1111 PolarHBondContact O-ND2 2.99Å |
| 976 | A | 87.2 | Confident | 87.7 | Confident | 5 Ų | 5 | 20.8 Ų | 20.8 | 4% | 0.041 | 10% | 0.095 | C | C | . | . | trans | -68.9 | 138 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V972 P973 I1056 F1085 R1086 F1112 | V972-A976 HydrophobicContact CG1-CB 3.94Å; P973-A976 VanDerWaalsContact O-CB 3.28Å; P973-A976 WeakPolarHBondContact O-CB 3.21Å; P973-A976 PolarHBondContact O-N 3.21Å; A976-I1056 HydrophobicContact CB-CD1 4.32Å; A976-F1085 HydrophobicContact CB-CB 4.16Å; A976-F1085 HydrophobicContact CB-CD1 3.87Å; A976-F1085 HydrophobicContact CB-CG 4.46Å; A976-R1086 WeakPolarHBondContact CA-O 3.44Å; A976-F1112 HydrophobicContact CB-CE2 3.94Å; A976-F1112 HydrophobicContact CB-CZ 3.85Å | ||
| 977 | T | 87.8 | Confident | 86.9 | Confident | 8 Ų | 8 | 19.6 Ų | 19.6 | 5% | 0.049 | 9% | 0.091 | C | C | . | . | trans | -125.8 | -7 | 174.4 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | I1056 R1086 L1088 E1089 Y1426 V1435 | T977-I1056 PolarHBondContact O-N 2.9Å; T977-R1086 PolarHBondContact N-O 3.44Å; T977-L1088 WeakPolarHBondContact CG2-O 3.32Å; T977-L1088 PolarHBondContact OG1-N 3.38Å; T977-L1088 VanDerWaalsContact OG1-N 3.1Å; T977-L1088 PolarHBondContact OG1-O 3.19Å; T977-E1089 HydrophobicContact CG2-CB 4.46Å; T977-Y1426 PolarHBondContact OG1-OH 3.08Å; T977-V1435 WeakPolarHBondContact O-CG1 3Å | ||
| 978 | A | 90.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 156.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1054 I1056 R1086 L1431 V1435 | A978-F1054 CarbonylContact C-O 3.6Å; A978-F1054 VanDerWaalsContact CA-O 3.3Å; A978-F1054 WeakPolarHBondContact CA-O 3.32Å; A978-F1054 WeakPolarHBondContact CB-O 3.36Å; A978-I1056 VanDerWaalsContact C-CD1 3.48Å; A978-R1086 HydrophobicContact CB-CB 4.27Å; A978-R1086 PolarHBondContact N-O 2.8Å; A978-R1086 VanDerWaalsContact N-O 3.13Å; A978-R1086 PolarHBondContact O-N 2.83Å; A978-L1431 HydrophobicContact CB-CD1 3.88Å; A978-L1431 HydrophobicContact CB-CD2 4.08Å; A978-V1435 HydrophobicContact CB-CB 4.49Å; A978-V1435 HydrophobicContact CB-CG1 4.28Å; A978-V1435 HydrophobicContact CB-CG2 3.46Å; A978-V1435 VanDerWaalsContact CB-CG2 3.46Å |
| 979 | G | 90.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | F1054 Y1084 | G979-F1054 PolarHBondContact N-O 2.95Å; G979-F1054 PolarHBondContact O-N 3.33Å; G979-Y1084 WeakPolarHBondContact CA-O 3.41Å |
| 980 | I | 91.9 | Very high | 81.8 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.1 | 167.3 | -61.3 | 172.1 | 0 | 0 | 0 | 108 | L1083 Y1084 R1086 L1431 | I980-L1083 WeakPolarHBondContact O-CA 3.34Å; I980-Y1084 HydrophobicContact CB-CD1 4.38Å; I980-Y1084 HydrophobicContact CB-CD2 4.46Å; I980-Y1084 HydrophobicContact CB-CE1 3.88Å; I980-Y1084 HydrophobicContact CB-CE2 3.97Å; I980-Y1084 HydrophobicContact CD1-CE2 3.83Å; I980-Y1084 HydrophobicContact CG1-CE2 4.37Å; I980-Y1084 HydrophobicContact CG2-CE1 3.77Å; I980-Y1084 HydrophobicContact CG2-CE2 4.47Å; I980-Y1084 PolarHBondContact N-O 2.68Å; I980-Y1084 PolarHBondContact O-N 3.02Å; I980-R1086 HydrophobicContact CD1-CG 4.18Å; I980-L1431 HydrophobicContact CD1-CD1 3.9Å; I980-L1431 HydrophobicContact CD1-CG 4.18Å; I980-L1431 HydrophobicContact CG1-CD1 4.14Å; I980-L1431 HydrophobicContact CG1-CD2 4.08Å; I980-L1431 HydrophobicContact CG1-CG 4.28Å |
| 981 | L | 93 | Very high | 80.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.9 | -180 | 177.2 | 69.7 | 0 | 0 | 0 | 109.4 | F955 L983 I998 Q1051 F1052 F1054 L1065 L1083 | F955-L981 HydrophobicContact CE1-CD1 3.87Å; F955-L981 HydrophobicContact CZ-CD1 3.69Å; L981-L983 HydrophobicContact CD1-CD2 4.37Å; L981-L983 HydrophobicContact CD1-CG 4.47Å; L981-L983 HydrophobicContact CD2-CD1 4.15Å; L981-L983 HydrophobicContact CD2-CG 4.47Å; L981-L983 HydrophobicContact CG-CD1 4.37Å; L981-L983 HydrophobicContact CG-CG 4.16Å; L981-I998 HydrophobicContact CD2-CG2 3.85Å; L981-Q1051 CarbonylContact O-C 3.55Å; L981-Q1051 WeakPolarHBondContact O-CA 3.36Å; L981-F1052 HydrophobicContact CB-CB 4.34Å; L981-F1052 PolarHBondContact N-O 2.87Å; L981-F1052 PolarHBondContact O-N 3.41Å; L981-F1054 HydrophobicContact CB-CE1 4.21Å; L981-L1065 HydrophobicContact CD1-CD1 4.28Å; L981-L1065 HydrophobicContact CD1-CD2 3.81Å; L981-L1065 HydrophobicContact CD2-CD1 3.79Å; L981-L1083 HydrophobicContact CB-CD1 4.4Å; L981-L1083 HydrophobicContact CD1-CB 4.16Å |
| 982 | R | 90.8 | Very high | 78.8 | Confident | 28 Ų | 28 | 34.9 Ų | 34.9 | 11% | 0.106 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.9 | 172.4 | -62.6 | 173.9 | 167.5 | 175.1 | -13.8 | 109.4 | F1046 A1049 S1050 Q1051 G1081 E1082 Y1084 | R982-F1046 HydrophobicContact CB-CD1 4.02Å; R982-F1046 HydrophobicContact CB-CE1 4.31Å; R982-A1049 HydrophobicContact CB-CB 4.4Å; R982-S1050 CarbonylContact C-O 3.58Å; R982-S1050 WeakPolarHBondContact CA-O 3.19Å; R982-Q1051 HydrophobicContact CG-CG 4.07Å; R982-G1081 CarbonylContact O-C 3.56Å; R982-G1081 WeakPolarHBondContact O-CA 3.46Å; R982-E1082 HydrophobicContact CB-CB 4.38Å; R982-E1082 WeakPolarHBondContact CD-OE2 3.49Å; R982-E1082 IonicContact CZ-OE2 2.96Å; R982-E1082 PolarHBondContact N-O 3.02Å; R982-E1082 IonicContact NE-OE2 2.73Å; R982-E1082 IonicContact NH1-OE2 3.45Å; R982-E1082 PolarHBondContact NH1-OE2 2.87Å; R982-E1082 PolarHBondContact O-N 3.3Å; R982-Y1084 HydrophobicContact CG-CE1 4.23Å |
| 983 | L | 90.9 | Very high | 77.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 138.6 | -178.4 | -68.4 | 173.8 | 0 | 0 | 0 | 112.7 | F955 L981 I998 L1021 A1049 S1050 F1052 I1067 V1079 I1080 | F955-L983 HydrophobicContact CE2-CD2 3.9Å; F955-L983 HydrophobicContact CZ-CD2 3.66Å; L981-L983 HydrophobicContact CD1-CD2 4.37Å; L981-L983 HydrophobicContact CD1-CG 4.47Å; L981-L983 HydrophobicContact CD2-CD1 4.15Å; L981-L983 HydrophobicContact CD2-CG 4.47Å; L981-L983 HydrophobicContact CG-CD1 4.37Å; L981-L983 HydrophobicContact CG-CG 4.16Å; L983-I998 HydrophobicContact CD1-CD1 3.31Å; L983-I998 HydrophobicContact CD1-CG1 3.99Å; L983-L1021 HydrophobicContact CB-CD1 4.26Å; L983-L1021 HydrophobicContact CB-CD2 3.66Å; L983-L1021 HydrophobicContact CD1-CD2 4.2Å; L983-A1049 WeakPolarHBondContact O-CA 3.41Å; L983-A1049 WeakPolarHBondContact O-CB 3.21Å; L983-S1050 PolarHBondContact N-O 2.8Å; L983-S1050 PolarHBondContact O-N 2.98Å; L983-F1052 HydrophobicContact CB-CE2 4.5Å; L983-F1052 HydrophobicContact CD1-CD2 4.36Å; L983-F1052 HydrophobicContact CD1-CE2 4.04Å; L983-I1067 HydrophobicContact CD1-CD1 4.21Å; L983-I1067 HydrophobicContact CD2-CD1 3.76Å; L983-V1079 HydrophobicContact CD2-CG1 3.9Å; L983-I1080 WeakPolarHBondContact CA-O 3.49Å |
| 984 | A | 85.8 | Confident | 76.8 | Confident | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 159.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1024 A1049 V1079 I1080 | A984-F1024 HydrophobicContact CB-CB 4.49Å; A984-F1024 HydrophobicContact CB-CD2 4.09Å; A984-A1049 HydrophobicContact CB-CB 4.22Å; A984-V1079 WeakPolarHBondContact O-CA 3.48Å; A984-I1080 HydrophobicContact CB-CG2 4.12Å; A984-I1080 PolarHBondContact N-O 3.39Å; A984-I1080 PolarHBondContact O-N 3.36Å |
| 985 | R | 84.1 | Confident | 76.9 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 4% | 0.038 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 141.4 | 170.3 | -85.1 | 171.4 | 64.1 | -156.7 | 7.5 | 111.6 | D987 K992 L1021 N1022 K1023 F1024 I1078 V1079 | R985-D987 WeakPolarHBondContact CB-OD1 3.49Å; R985-D987 WeakPolarHBondContact CG-OD1 3.2Å; R985-D987 IonicContact CZ-OD2 2.65Å; R985-D987 IonicContact NE-OD1 3.74Å; R985-D987 PolarHBondContact NE-OD1 3.27Å; R985-D987 IonicContact NE-OD2 2.75Å; R985-D987 PolarHBondContact NE-OD2 3.36Å; R985-D987 IonicContact NH2-OD2 3.36Å; R985-D987 PolarHBondContact NH2-OD2 3.31Å; R985-K992 PolarHBondContact NH1-O 3.01Å; R985-K992 PolarHBondContact NH2-O 2.96Å; R985-L1021 HydrophobicContact CG-CB 4.08Å; R985-N1022 PolarHBondContact N-O 2.81Å; R985-K1023 CarbonylContact O-C 3.52Å; R985-K1023 WeakPolarHBondContact O-CA 3.42Å; R985-F1024 WeakPolarHBondContact O-CB 3.14Å; R985-F1024 PolarHBondContact O-N 3.36Å; R985-I1078 WeakPolarHBondContact CA-O 3.31Å; R985-V1079 HydrophobicContact CG-CG2 4.43Å |
| 986 | I | 81.5 | Confident | 77.2 | Confident | 52 Ų | 52 | 28.8 Ų | 28.8 | 27% | 0.267 | 16% | 0.159 | S | C | . | . | trans | -105.5 | -21.7 | 176.8 | -61.6 | -179.9 | 0 | 0 | 0 | 111.5 | I1078 I1080 | I986-I1078 HydrophobicContact CB-CG2 4.33Å; I986-I1078 PolarHBondContact N-O 2.8Å; I986-I1080 HydrophobicContact CD1-CB 3.78Å; I986-I1080 HydrophobicContact CD1-CD1 4.03Å; I986-I1080 HydrophobicContact CD1-CG1 4.49Å; I986-I1080 HydrophobicContact CD1-CG2 3.77Å; I986-I1080 HydrophobicContact CG1-CB 4.34Å; I986-I1080 HydrophobicContact CG1-CG2 3.92Å | ||
| 987 | D | 75.2 | Confident | 77.4 | Confident | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | trans | -60.2 | 151.9 | -173.3 | 46.9 | -73.8 | 0 | 0 | 0 | 115.7 | R985 K1023 I1078 | R985-D987 WeakPolarHBondContact CB-OD1 3.49Å; R985-D987 WeakPolarHBondContact CG-OD1 3.2Å; R985-D987 IonicContact CZ-OD2 2.65Å; R985-D987 IonicContact NE-OD1 3.74Å; R985-D987 PolarHBondContact NE-OD1 3.27Å; R985-D987 IonicContact NE-OD2 2.75Å; R985-D987 PolarHBondContact NE-OD2 3.36Å; R985-D987 IonicContact NH2-OD2 3.36Å; R985-D987 PolarHBondContact NH2-OD2 3.31Å; D987-K1023 WeakPolarHBondContact O-CD 3.46Å; D987-K1023 WeakPolarHBondContact O-CE 3.47Å; D987-K1023 PolarHBondContact O-NZ 3.13Å; D987-I1078 HydrophobicContact CB-CB 4.45Å; D987-I1078 PolarHBondContact OD1-N 3.14Å | ||
| 988 | D | 61.5 | Low | 77.6 | Confident | 110 Ų | 110 | 28.6 Ų | 28.6 | 59% | 0.588 | 16% | 0.157 | S | C | * | . | trans | -92 | 7.7 | -165.9 | -87.2 | -41.5 | 0 | 0 | 0 | 116.6 | F887 G990 K1023 | F887-D988 WeakPolarHBondContact CE1-OD2 3.44Å; D988-G990 PolarHBondContact O-N 2.79Å; D988-K1023 IonicContact OD1-NZ 3.55Å; D988-K1023 PolarHBondContact OD1-NZ 3.15Å | ||
| 989 | D | 55.3 | Low | 77.6 | Confident | 52 Ų | 52 | 28.6 Ų | 28.6 | 28% | 0.278 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -69.7 | 11.4 | -171.7 | -75.5 | -39.9 | 0 | 0 | 0 | 117 | K992 M1075 | D989-K992 WeakPolarHBondContact O-CD 3.34Å; D989-M1075 HydrophobicContact CB-CE 3.97Å; D989-M1075 WeakPolarHBondContact OD1-CE 3.47Å; D989-M1075 WeakPolarHBondContact OD2-CE 3.48Å |
| 990 | G | 48.9 | Very low | 77.6 | Confident | 34 Ų | 34 | 28.6 Ų | 28.6 | 35% | 0.351 | 16% | 0.158 | S | C | . | . | trans | 72.3 | -164.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | D988 K992 | D988-G990 PolarHBondContact O-N 2.79Å; G990-K992 PolarHBondContact O-N 3.46Å | ||
| 991 | D | 54.8 | Low | 77.3 | Confident | 138 Ų | 138 | 28.9 Ų | 28.9 | 74% | 0.738 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -68.4 | 17.3 | -175.6 | -64.2 | 9.6 | 0 | 0 | 0 | 114.4 | S993 Q1026 | D991-S993 PolarHBondContact O-N 2.8Å; D991-Q1026 PolarHBondContact OD1-NE2 3.38Å |
| 992 | K | 56.5 | Low | 76.6 | Confident | 75 Ų | 75 | 29 Ų | 29 | 33% | 0.326 | 16% | 0.16 | S | C | . | . | trans | -70.9 | 114.8 | 176.2 | -64.4 | 178 | -172.8 | 168.9 | 0 | 109.5 | R985 D989 G990 M1075 | R985-K992 PolarHBondContact NH1-O 3.01Å; R985-K992 PolarHBondContact NH2-O 2.96Å; D989-K992 WeakPolarHBondContact O-CD 3.34Å; G990-K992 PolarHBondContact O-N 3.46Å; K992-M1075 HydrophobicContact CD-CE 4.47Å; K992-M1075 HydrophobicContact CD-SD 4.05Å | ||
| 993 | S | 59.7 | Low | 75.3 | Confident | 44 Ų | 44 | 28 Ų | 28 | 31% | 0.308 | 16% | 0.157 | S | C | . | . | trans | -67 | 142.7 | 174.6 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | D991 E1020 | D991-S993 PolarHBondContact O-N 2.8Å; S993-E1020 VanDerWaalsContact CB-CD 3.5Å; S993-E1020 WeakPolarHBondContact CB-OE1 3.42Å; S993-E1020 PolarHBondContact OG-OE1 2.7Å | ||
| 994 | C | 68.3 | Low | 73.5 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | trans | -122.9 | 123 | 170.6 | -81.8 | 0 | 0 | 0 | 0 | 107.2 | F996 L1073 | C994-F996 HydrophobicContact CB-CE2 3.73Å; C994-F996 HydrophobicContact CB-CZ 4.28Å; C994-F996 VanDerWaalsContact O-CD2 3.31Å; C994-F996 WeakPolarHBondContact O-CD2 3.4Å; C994-F996 WeakPolarHBondContact O-CE2 3.33Å; C994-L1073 HydrophobicContact CB-CD1 4.22Å | ||
| 995 | E | 80.1 | Confident | 71.5 | Confident | 26 Ų | 26 | 32.6 Ų | 32.6 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133.3 | 179.5 | -65.5 | -176.5 | 153.5 | 0 | 0 | 110.8 | T512 H1070 | T512-E995 VanDerWaalsContact CB-OE1 3.26Å; T512-E995 WeakPolarHBondContact CB-OE1 3.27Å; T512-E995 WeakPolarHBondContact CG2-OE1 3.47Å; E995-H1070 HydrophobicContact CB-CB 3.94Å; E995-H1070 WeakPolarHBondContact O-CB 3.25Å; E995-H1070 PolarHBondContact O-N 2.86Å; E995-H1070 IonicContact OE2-CD2 3.59Å; E995-H1070 IonicContact OE2-CG 3.54Å |
| 996 | F | 87.2 | Confident | 69.5 | Low | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 150.8 | 174.1 | -64.4 | -94.7 | 0 | 0 | 0 | 111.3 | F959 C994 F1018 V1019 L1021 I1067 A1068 Q1069 A1077 V1079 | F959-F996 HydrophobicContact CD1-CE1 4.04Å; F959-F996 HydrophobicContact CD2-CE1 4.06Å; F959-F996 HydrophobicContact CE1-CD1 4.43Å; F959-F996 HydrophobicContact CE1-CE1 4.2Å; F959-F996 HydrophobicContact CE2-CE1 4.26Å; F959-F996 AromaticContact CG-CE1 3.96Å; F959-F996 HydrophobicContact CG-CE1 3.96Å; F959-F996 HydrophobicContact CZ-CE1 4.32Å; C994-F996 HydrophobicContact CB-CE2 3.73Å; C994-F996 HydrophobicContact CB-CZ 4.28Å; C994-F996 VanDerWaalsContact O-CD2 3.31Å; C994-F996 WeakPolarHBondContact O-CD2 3.4Å; C994-F996 WeakPolarHBondContact O-CE2 3.33Å; F996-F1018 PolarHBondContact O-N 3.48Å; F996-V1019 PolarHBondContact N-O 3.42Å; F996-V1019 WeakPolarHBondContact O-CB 3.33Å; F996-V1019 PolarHBondContact O-N 3.45Å; F996-L1021 HydrophobicContact CD2-CD1 3.77Å; F996-L1021 HydrophobicContact CD2-CG 3.98Å; F996-L1021 HydrophobicContact CE2-CD1 3.97Å; F996-L1021 HydrophobicContact CE2-CG 4.37Å; F996-L1021 HydrophobicContact CG-CD1 4.27Å; F996-I1067 HydrophobicContact CB-CG2 4.4Å; F996-I1067 HydrophobicContact CD1-CG2 3.8Å; F996-I1067 HydrophobicContact CG-CG2 4.4Å; F996-A1068 CarbonylContact C-O 3.59Å; F996-A1068 WeakPolarHBondContact CA-O 3.38Å; F996-Q1069 HydrophobicContact CD1-CB 4.19Å; F996-Q1069 HydrophobicContact CE1-CB 3.97Å; F996-Q1069 HydrophobicContact CE1-CG 4.19Å; F996-A1077 HydrophobicContact CZ-CB 3.94Å; F996-V1079 HydrophobicContact CE1-CG2 3.92Å; F996-V1079 HydrophobicContact CE2-CG2 4.41Å; F996-V1079 HydrophobicContact CZ-CG2 3.76Å |
| 997 | T | 89.5 | Confident | 67.3 | Low | 8 Ų | 8 | 33.6 Ų | 33.6 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128 | 159.1 | -65.4 | 0 | 0 | 0 | 0 | 107.7 | P447 N532 R1015 W1016 T1017 I1067 A1068 | P447-T997 HydrophobicContact CG-CG2 4.3Å; N532-T997 PolarHBondContact ND2-OG1 2.77Å; N532-T997 VanDerWaalsContact ND2-OG1 3.16Å; T997-R1015 HydrophobicContact CG2-CG 4Å; T997-W1016 CarbonylContact C-O 3.57Å; T997-W1016 WeakPolarHBondContact CA-O 3.05Å; T997-T1017 HydrophobicContact CG2-CG2 4.09Å; T997-I1067 CarbonylContact O-C 3.54Å; T997-A1068 PolarHBondContact N-O 3.19Å; T997-A1068 PolarHBondContact O-N 2.69Å |
| 998 | I | 92.3 | Very high | 65.5 | Low | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.6 | 176.1 | -57.1 | 156.9 | 0 | 0 | 0 | 107 | L981 L983 R1015 W1016 V1019 F1052 L1065 I1067 | L981-I998 HydrophobicContact CD2-CG2 3.85Å; L983-I998 HydrophobicContact CD1-CD1 3.31Å; L983-I998 HydrophobicContact CD1-CG1 3.99Å; I998-R1015 WeakPolarHBondContact O-CA 3.31Å; I998-W1016 HydrophobicContact CB-CE3 4.05Å; I998-W1016 HydrophobicContact CG2-CE3 3.83Å; I998-W1016 HydrophobicContact CG2-CZ3 4.15Å; I998-W1016 PolarHBondContact N-O 3.46Å; I998-W1016 PolarHBondContact O-N 2.7Å; I998-V1019 HydrophobicContact CD1-CB 4.16Å; I998-V1019 HydrophobicContact CD1-CG1 3.92Å; I998-V1019 HydrophobicContact CD1-CG2 4.12Å; I998-F1052 HydrophobicContact CD1-CD2 4.49Å; I998-F1052 HydrophobicContact CD1-CE2 4Å; I998-F1052 HydrophobicContact CD1-CZ 4.05Å; I998-L1065 HydrophobicContact CG2-CD1 4.17Å; I998-I1067 HydrophobicContact CG1-CG1 4.43Å; I998-I1067 HydrophobicContact CG1-CG2 4.5Å; I998-I1067 HydrophobicContact CG2-CG1 4.4Å |
| 999 | T | 91.4 | Very high | 64.5 | Low | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.4 | 167.9 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | P447 E1013 I1014 R1015 T1066 | P447-T999 HydrophobicContact CG-CG2 4.37Å; T999-E1013 HydrophobicContact CG2-CG 4.23Å; T999-E1013 WeakPolarHBondContact CG2-OE1 3.38Å; T999-I1014 WeakPolarHBondContact CA-O 3.45Å; T999-R1015 HydrophobicContact CG2-CB 3.89Å; T999-R1015 HydrophobicContact CG2-CG 3.59Å; T999-T1066 PolarHBondContact N-O 2.91Å; T999-T1066 PolarHBondContact O-N 2.97Å; T999-T1066 WeakPolarHBondContact OG1-CB 2.98Å |
| 1000 | V | 90.7 | Very high | 64.1 | Low | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 115.5 | 163.7 | 168.8 | 0 | 0 | 0 | 0 | 106.7 | E1013 I1014 W1016 F1054 L1063 E1064 L1065 | V1000-E1013 CarbonylContact O-C 3.47Å; V1000-E1013 WeakPolarHBondContact O-CA 3.28Å; V1000-I1014 PolarHBondContact N-O 3.09Å; V1000-I1014 PolarHBondContact O-N 2.98Å; V1000-W1016 HydrophobicContact CB-CZ3 4.42Å; V1000-W1016 HydrophobicContact CG2-CZ3 4.01Å; V1000-F1054 HydrophobicContact CG1-CD1 4.38Å; V1000-F1054 HydrophobicContact CG1-CD2 3.87Å; V1000-F1054 HydrophobicContact CG1-CE1 4.23Å; V1000-F1054 HydrophobicContact CG1-CE2 3.73Å; V1000-F1054 HydrophobicContact CG1-CG 4.19Å; V1000-F1054 HydrophobicContact CG1-CZ 3.89Å; V1000-F1054 HydrophobicContact CG2-CD1 4.18Å; V1000-F1054 HydrophobicContact CG2-CE1 3.92Å; V1000-F1054 HydrophobicContact CG2-CZ 4.26Å; V1000-L1063 HydrophobicContact CG1-CD1 3.71Å; V1000-L1063 HydrophobicContact CG1-CD2 4.24Å; V1000-L1063 HydrophobicContact CG1-CG 4.04Å; V1000-E1064 WeakPolarHBondContact CA-O 3.45Å; V1000-L1065 HydrophobicContact CG2-CD1 3.84Å |
| 1001 | N | 85.6 | Confident | 64.2 | Low | 10 Ų | 10 | 33.9 Ų | 33.9 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.3 | -176.6 | 175.7 | 24.1 | 0 | 0 | 0 | 109.4 | L449 P1003 E1013 E1064 | L449-N1001 PolarHBondContact O-ND2 2.88Å; L449-N1001 VanDerWaalsContact O-ND2 3.15Å; N1001-P1003 VanDerWaalsContact C-CD 3.48Å; N1001-P1003 WeakPolarHBondContact O-CD 3.06Å; N1001-E1013 HydrophobicContact CB-CG 4.3Å; N1001-E1064 HydrophobicContact CB-CB 4.13Å; N1001-E1064 PolarHBondContact N-O 2.81Å; N1001-E1064 PolarHBondContact ND2-OE2 2.99Å; N1001-E1064 PolarHBondContact O-N 3.18Å |
| 1002 | S | 78.1 | Confident | 64.4 | Low | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 86.2 | 178.9 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | C1004 Q1012 | S1002-C1004 PolarHBondContact O-N 3.02Å; S1002-Q1012 PolarHBondContact N-O 3.32Å |
| 1003 | P | 63.4 | Low | 65.2 | Low | 7 Ų | 7 | 28.4 Ų | 28.4 | 5% | 0.045 | 17% | 0.168 | C | C | . | . | trans | -70.8 | 88.6 | -178.6 | 27.8 | -36 | 0 | 0 | 0 | 112.9 | R723 N1001 C1062 | R723-P1003 PolarHBondContact NH2-O 3.1Å; N1001-P1003 VanDerWaalsContact C-CD 3.48Å; N1001-P1003 WeakPolarHBondContact O-CD 3.06Å; P1003-C1062 WeakPolarHBondContact CD-O 3.24Å | ||
| 1004 | C | 54.5 | Low | 66.2 | Low | 14 Ų | 14 | 28.1 Ų | 28.1 | 10% | 0.095 | 16% | 0.162 | C | C | . | . | trans | -60 | 149.8 | 164.9 | -57 | 0 | 0 | 0 | 0 | 110.9 | S1002 | S1002-C1004 PolarHBondContact O-N 3.02Š| ||
| 1005 | I | 43.5 | Very low | 67 | Low | 86 Ų | 86 | 31.4 Ų | 31.4 | 44% | 0.441 | 17% | 0.174 | S | C | . | . | trans | -120.6 | 104.8 | 171.6 | -59.2 | -173.4 | 0 | 0 | 0 | 108.4 | R723 | R723-I1005 HydrophobicContact CG-CD1 4.2Š| ||
| 1006 | G | 40.8 | Very low | 67.3 | Low | 40 Ų | 40 | 33 Ų | 33 | 41% | 0.412 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 115.6 | 131.8 | 171 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1008 | G1006-D1008 VanDerWaalsContact C-N 3.3Å; G1006-D1008 PolarHBondContact O-N 3.22Å |
| 1007 | M | 36.6 | Very low | 67.1 | Low | 42 Ų | 42 | 36.4 Ų | 36.4 | 21% | 0.207 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 49.5 | -46.5 | 157 | -47.3 | -38.6 | -53.7 | 0 | 0 | 121.6 | W417 S1009 L1385 P1386 | W417-M1007 HydrophobicContact CZ2-CE 3.74Å; M1007-S1009 PolarHBondContact O-N 2.89Å; M1007-L1385 HydrophobicContact CE-CB 3.89Å; M1007-L1385 HydrophobicContact CE-CD2 3.9Å; M1007-L1385 HydrophobicContact CE-CG 4.15Å; M1007-L1385 HydrophobicContact SD-CB 4.09Å; M1007-L1385 HydrophobicContact SD-CD2 3.87Å; M1007-L1385 HydrophobicContact SD-CG 3.86Å; M1007-P1386 HydrophobicContact CB-CG 4.12Å; M1007-P1386 HydrophobicContact CE-CB 4.35Å; M1007-P1386 HydrophobicContact CE-CG 4.24Å; M1007-P1386 VanDerWaalsContact CG-CD 3.49Å; M1007-P1386 HydrophobicContact CG-CG 4.48Å |
| 1008 | D | 37.2 | Very low | 66.5 | Low | 99 Ų | 99 | 40 Ų | 40 | 53% | 0.529 | 22% | 0.215 | S | C | . | . | trans | -80.8 | 104.7 | 175.6 | -85.4 | 21.9 | 0 | 0 | 0 | 108.8 | G1006 D1010 | G1006-D1008 VanDerWaalsContact C-N 3.3Å; G1006-D1008 PolarHBondContact O-N 3.22Å; D1008-D1010 PolarHBondContact O-N 3.28Å | ||
| 1009 | S | 40.6 | Very low | 66 | Low | 34 Ų | 34 | 40.8 Ų | 40.8 | 24% | 0.238 | 22% | 0.219 | C | C | . | . | trans | -68.5 | 8.6 | -169.3 | 18.6 | 0 | 0 | 0 | 0 | 116.2 | M1007 S1011 H1211 | M1007-S1009 PolarHBondContact O-N 2.89Å; S1009-S1011 VanDerWaalsContact C-N 3.34Å; S1009-S1011 PolarHBondContact O-N 3.22Å; S1009-S1011 VanDerWaalsContact O-N 3.16Å; S1009-H1211 VanDerWaalsContact CB-NE2 3.29Å; S1009-H1211 WeakPolarHBondContact CB-NE2 3.48Å; S1009-H1211 PolarHBondContact OG-CE1 3.02Å; S1009-H1211 PolarHBondContact OG-NE2 2.98Å | ||
| 1010 | D | 46.3 | Very low | 65.4 | Low | 32 Ų | 32 | 45.9 Ų | 45.9 | 17% | 0.171 | 24% | 0.243 | C | C | . | . | trans | -83.4 | 66.1 | 171.8 | -68.1 | -17.9 | 0 | 0 | 0 | 111.2 | D1008 Q1012 K1057 H1211 Q1213 | D1008-D1010 PolarHBondContact O-N 3.28Å; D1010-Q1012 PolarHBondContact O-N 3.39Å; D1010-K1057 IonicContact OD2-NZ 2.76Å; D1010-K1057 PolarHBondContact OD2-NZ 2.81Å; D1010-H1211 IonicContact OD1-CE1 2.75Å; D1010-H1211 IonicContact OD1-CG 3.18Å; D1010-H1211 IonicContact OD1-ND1 2.67Å; D1010-H1211 PolarHBondContact OD1-ND1 2.83Å; D1010-Q1213 PolarHBondContact OD1-NE2 2.95Å; D1010-Q1213 PolarHBondContact OD2-NE2 3.13Å | ||
| 1011 | S | 51.5 | Low | 64.8 | Low | 46 Ų | 46 | 46.1 Ų | 46.1 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | trans | -69.1 | 97 | 163.1 | 60.1 | 0 | 0 | 0 | 0 | 108.4 | S1009 E1013 | S1009-S1011 VanDerWaalsContact C-N 3.34Å; S1009-S1011 PolarHBondContact O-N 3.22Å; S1009-S1011 VanDerWaalsContact O-N 3.16Å; S1011-E1013 PolarHBondContact O-N 3.2Å | ||
| 1012 | Q | 59.7 | Low | 64 | Low | 50 Ų | 50 | 48.5 Ų | 48.5 | 23% | 0.234 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 93.3 | -164.3 | -163.8 | 163.6 | 18 | 0 | 0 | 111.4 | S1002 D1010 I1014 | S1002-Q1012 PolarHBondContact N-O 3.32Å; D1010-Q1012 PolarHBondContact O-N 3.39Å; Q1012-I1014 HydrophobicContact CG-CD1 4.2Å; Q1012-I1014 HydrophobicContact CG-CG1 4.26Å |
| 1013 | E | 73.2 | Confident | 63.5 | Low | 48 Ų | 48 | 50.6 Ų | 50.6 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.2 | 163 | -165.5 | -159.6 | 120.7 | 0 | 0 | 110.2 | S448 T999 V1000 N1001 S1011 R1015 | S448-E1013 WeakPolarHBondContact CB-OE2 3.45Å; S448-E1013 VanDerWaalsContact OG-CD 3.32Å; S448-E1013 PolarHBondContact OG-OE2 2.97Å; T999-E1013 HydrophobicContact CG2-CG 4.23Å; T999-E1013 WeakPolarHBondContact CG2-OE1 3.38Å; V1000-E1013 CarbonylContact O-C 3.47Å; V1000-E1013 WeakPolarHBondContact O-CA 3.28Å; N1001-E1013 HydrophobicContact CB-CG 4.3Å; S1011-E1013 PolarHBondContact O-N 3.2Å; E1013-R1015 IonicContact OE1-CZ 3.19Å; E1013-R1015 IonicContact OE1-NE 2.66Å; E1013-R1015 PolarHBondContact OE1-NE 3.08Å; E1013-R1015 IonicContact OE1-NH2 3.42Å; E1013-R1015 PolarHBondContact OE1-NH2 3.45Å; E1013-R1015 IonicContact OE2-NH2 3.89Å; E1013-R1015 PolarHBondContact OE2-NH2 3.31Å |
| 1014 | I | 80.5 | Confident | 63.3 | Low | 38 Ų | 38 | 53 Ų | 53 | 20% | 0.195 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.3 | 172.7 | -67.1 | 165.9 | 0 | 0 | 0 | 107.6 | T999 V1000 Q1012 W1016 F1054 P1055 | T999-I1014 WeakPolarHBondContact CA-O 3.45Å; V1000-I1014 PolarHBondContact N-O 3.09Å; V1000-I1014 PolarHBondContact O-N 2.98Å; Q1012-I1014 HydrophobicContact CG-CD1 4.2Å; Q1012-I1014 HydrophobicContact CG-CG1 4.26Å; I1014-W1016 HydrophobicContact CB-CH2 4.45Å; I1014-W1016 HydrophobicContact CG2-CD2 4.47Å; I1014-W1016 HydrophobicContact CG2-CE3 4.42Å; I1014-W1016 HydrophobicContact CG2-CH2 3.5Å; I1014-W1016 HydrophobicContact CG2-CZ2 3.51Å; I1014-W1016 HydrophobicContact CG2-CZ3 3.97Å; I1014-F1054 HydrophobicContact CD1-CB 3.79Å; I1014-P1055 VanDerWaalsContact CD1-CD 3.46Å; I1014-P1055 HydrophobicContact CD1-CG 4.2Å |
| 1015 | R | 83.8 | Confident | 63.2 | Low | 76 Ų | 76 | 55.4 Ų | 55.4 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.9 | -172.4 | -170.3 | -179.9 | -49.4 | 171.8 | 11.6 | 111.7 | N445 G446 T997 I998 T999 E1013 T1017 | N445-R1015 VanDerWaalsContact C-NH2 3.33Å; N445-R1015 PolarHBondContact O-NH2 3.4Å; G446-R1015 PolarHBondContact O-NH1 3.45Å; T997-R1015 HydrophobicContact CG2-CG 4Å; I998-R1015 WeakPolarHBondContact O-CA 3.31Å; T999-R1015 HydrophobicContact CG2-CB 3.89Å; T999-R1015 HydrophobicContact CG2-CG 3.59Å; E1013-R1015 IonicContact OE1-CZ 3.19Å; E1013-R1015 IonicContact OE1-NE 2.66Å; E1013-R1015 PolarHBondContact OE1-NE 3.08Å; E1013-R1015 IonicContact OE1-NH2 3.42Å; E1013-R1015 PolarHBondContact OE1-NH2 3.45Å; E1013-R1015 IonicContact OE2-NH2 3.89Å; E1013-R1015 PolarHBondContact OE2-NH2 3.31Å; R1015-T1017 HydrophobicContact CG-CG2 3.9Å |
| 1016 | W | 87.4 | Confident | 63.6 | Low | 59 Ų | 59 | 55.5 Ų | 55.5 | 22% | 0.223 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.9 | 164.3 | -54.9 | -88 | 0 | 0 | 0 | 108.1 | T997 I998 V1000 I1014 V1019 F1052 F1054 | T997-W1016 CarbonylContact C-O 3.57Å; T997-W1016 WeakPolarHBondContact CA-O 3.05Å; I998-W1016 HydrophobicContact CB-CE3 4.05Å; I998-W1016 HydrophobicContact CG2-CE3 3.83Å; I998-W1016 HydrophobicContact CG2-CZ3 4.15Å; I998-W1016 PolarHBondContact N-O 3.46Å; I998-W1016 PolarHBondContact O-N 2.7Å; V1000-W1016 HydrophobicContact CB-CZ3 4.42Å; V1000-W1016 HydrophobicContact CG2-CZ3 4.01Å; I1014-W1016 HydrophobicContact CB-CH2 4.45Å; I1014-W1016 HydrophobicContact CG2-CD2 4.47Å; I1014-W1016 HydrophobicContact CG2-CE3 4.42Å; I1014-W1016 HydrophobicContact CG2-CH2 3.5Å; I1014-W1016 HydrophobicContact CG2-CZ2 3.51Å; I1014-W1016 HydrophobicContact CG2-CZ3 3.97Å; W1016-V1019 HydrophobicContact CB-CG2 3.55Å; W1016-F1052 HydrophobicContact CB-CE1 4.49Å; W1016-F1052 AromaticContact CD1-CD1 3.84Å; W1016-F1052 HydrophobicContact CD2-CB 4.47Å; W1016-F1052 AromaticContact CD2-CD1 3.87Å; W1016-F1052 HydrophobicContact CD2-CD1 3.87Å; W1016-F1052 HydrophobicContact CD2-CG 4.39Å; W1016-F1052 AromaticContact CE2-CD1 3.82Å; W1016-F1052 AromaticContact CG-CD1 3.88Å; W1016-F1052 HydrophobicContact CG-CD1 3.88Å; W1016-F1052 HydrophobicContact CG-CE1 4.18Å; W1016-F1052 HydrophobicContact CH2-CB 3.97Å; W1016-F1052 HydrophobicContact CZ2-CB 3.78Å; W1016-F1052 HydrophobicContact CZ2-CD1 4.44Å; W1016-F1052 HydrophobicContact CZ3-CB 4.4Å; W1016-F1052 AromaticContact NE1-CD1 3.8Å; W1016-F1054 HydrophobicContact CH2-CB 4.23Å; W1016-F1054 HydrophobicContact CH2-CD1 4.16Å |
| 1017 | T | 81.7 | Confident | 63.7 | Low | 72 Ų | 72 | 58.9 Ų | 58.9 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 154.4 | -179.3 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | T997 R1015 V1019 | T997-T1017 HydrophobicContact CG2-CG2 4.09Å; R1015-T1017 HydrophobicContact CG-CG2 3.9Å; T1017-V1019 PolarHBondContact O-N 2.89Å |
| 1018 | F | 76.9 | Confident | 63.9 | Low | 85 Ų | 85 | 65 Ų | 65 | 37% | 0.373 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.1 | 39.3 | -180 | -49.3 | -75.9 | 0 | 0 | 0 | 113 | T512 F996 E1020 | T512-F1018 HydrophobicContact CG2-CD1 4.45Å; F996-F1018 PolarHBondContact O-N 3.48Å; F1018-E1020 PolarHBondContact O-N 2.81Å |
| 1019 | V | 81.7 | Confident | 63.8 | Low | 16 Ų | 16 | 65.9 Ų | 65.9 | 10% | 0.097 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 108.5 | -179.1 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | F996 I998 W1016 T1017 L1021 F1052 | F996-V1019 PolarHBondContact N-O 3.42Å; F996-V1019 WeakPolarHBondContact O-CB 3.33Å; F996-V1019 PolarHBondContact O-N 3.45Å; I998-V1019 HydrophobicContact CD1-CB 4.16Å; I998-V1019 HydrophobicContact CD1-CG1 3.92Å; I998-V1019 HydrophobicContact CD1-CG2 4.12Å; W1016-V1019 HydrophobicContact CB-CG2 3.55Å; T1017-V1019 PolarHBondContact O-N 2.89Å; V1019-L1021 HydrophobicContact CG1-CD2 3.86Å; V1019-L1021 HydrophobicContact CG1-CG 4.44Å; V1019-F1052 HydrophobicContact CG1-CE1 4.27Å; V1019-F1052 HydrophobicContact CG1-CZ 3.62Å |
| 1020 | E | 80.1 | Confident | 63.2 | Low | 106 Ų | 106 | 70.4 Ų | 70.4 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 126.7 | 165.1 | -60.2 | -173.5 | 136.2 | 0 | 0 | 109.5 | S993 F1018 | S993-E1020 VanDerWaalsContact CB-CD 3.5Å; S993-E1020 WeakPolarHBondContact CB-OE1 3.42Å; S993-E1020 PolarHBondContact OG-OE1 2.7Å; F1018-E1020 PolarHBondContact O-N 2.81Å |
| 1021 | L | 77.6 | Confident | 62.4 | Low | 7 Ų | 7 | 76.8 Ų | 76.8 | 4% | 0.037 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -100.3 | 127.6 | 176.2 | -65.8 | 179.9 | 0 | 0 | 0 | 111 | L983 R985 F996 V1019 V1079 | L983-L1021 HydrophobicContact CB-CD1 4.26Å; L983-L1021 HydrophobicContact CB-CD2 3.66Å; L983-L1021 HydrophobicContact CD1-CD2 4.2Å; R985-L1021 HydrophobicContact CG-CB 4.08Å; F996-L1021 HydrophobicContact CD2-CD1 3.77Å; F996-L1021 HydrophobicContact CD2-CG 3.98Å; F996-L1021 HydrophobicContact CE2-CD1 3.97Å; F996-L1021 HydrophobicContact CE2-CG 4.37Å; F996-L1021 HydrophobicContact CG-CD1 4.27Å; V1019-L1021 HydrophobicContact CG1-CD2 3.86Å; V1019-L1021 HydrophobicContact CG1-CG 4.44Å; L1021-V1079 HydrophobicContact CD1-CG1 3.92Å; L1021-V1079 HydrophobicContact CD1-CG2 3.99Å |
| 1022 | N | 69.4 | Low | 61.3 | Low | 59 Ų | 59 | 84.1 Ų | 84.1 | 32% | 0.316 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 148 | 175.6 | -61.9 | -31.1 | 0 | 0 | 0 | 111.1 | R985 C1048 | R985-N1022 PolarHBondContact N-O 2.81Å; N1022-C1048 PolarHBondContact ND2-O 2.86Å |
| 1023 | K | 67.2 | Low | 59.8 | Low | 47 Ų | 47 | 93.6 Ų | 93.6 | 20% | 0.204 | 47% | 0.473 | C | S | . | . | B | Isolated β-bridge | trans | -74.4 | 137.7 | 166.6 | -171.4 | 173.6 | 179.6 | 176.1 | 0 | 110.6 | R985 D987 D988 G1025 Q1026 | R985-K1023 CarbonylContact O-C 3.52Å; R985-K1023 WeakPolarHBondContact O-CA 3.42Å; D987-K1023 WeakPolarHBondContact O-CD 3.46Å; D987-K1023 WeakPolarHBondContact O-CE 3.47Å; D987-K1023 PolarHBondContact O-NZ 3.13Å; D988-K1023 IonicContact OD1-NZ 3.55Å; D988-K1023 PolarHBondContact OD1-NZ 3.15Å; K1023-G1025 PolarHBondContact O-N 2.83Å; K1023-Q1026 PolarHBondContact O-N 3.08Å |
| 1024 | F | 59 | Low | 57.6 | Low | 58 Ų | 58 | 98.4 Ų | 98.4 | 25% | 0.254 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 126 | 178.4 | -166 | -95 | 0 | 0 | 0 | 111.1 | L893 A984 R985 D1045 F1046 | L893-F1024 HydrophobicContact CD1-CE1 4.44Å; L893-F1024 HydrophobicContact CD1-CZ 4.25Å; A984-F1024 HydrophobicContact CB-CB 4.49Å; A984-F1024 HydrophobicContact CB-CD2 4.09Å; R985-F1024 WeakPolarHBondContact O-CB 3.14Å; R985-F1024 PolarHBondContact O-N 3.36Å; F1024-D1045 WeakPolarHBondContact CE2-O 3.49Å; F1024-D1045 WeakPolarHBondContact CZ-O 3.21Å; F1024-F1046 HydrophobicContact CE2-CD2 4.31Å; F1024-F1046 HydrophobicContact CE2-CE2 4.24Å |
| 1025 | G | 53.3 | Low | 55.3 | Low | 64 Ų | 64 | 102.8 Ų | 102.8 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -7.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117 | K1023 T1027 | K1023-G1025 PolarHBondContact O-N 2.83Å; G1025-T1027 PolarHBondContact O-N 3.4Å |
| 1026 | Q | 51.2 | Low | 52.7 | Low | 88 Ų | 88 | 108.3 Ų | 108.3 | 41% | 0.411 | 55% | 0.55 | S | S | . | * | trans | -85.1 | 110.5 | 173.4 | -83.4 | -176.5 | -34.5 | 0 | 0 | 112 | D991 K1023 | D991-Q1026 PolarHBondContact OD1-NE2 3.38Å; K1023-Q1026 PolarHBondContact O-N 3.08Å | ||
| 1027 | T | 42.5 | Very low | 50.1 | Low | 111 Ų | 111 | 116.1 Ų | 116.1 | 68% | 0.681 | 58% | 0.581 | S | S | * | * | trans | -79.6 | 139 | 160.7 | 49.9 | 0 | 0 | 0 | 0 | 109.8 | G1025 S1029 | G1025-T1027 PolarHBondContact O-N 3.4Å; T1027-S1029 PolarHBondContact O-N 2.71Å | ||
| 1028 | K | 41.2 | Very low | 47.7 | Very low | 169 Ų | 169 | 124.2 Ų | 124.2 | 74% | 0.735 | 60% | 0.604 | S | S | * | * | trans | -65.5 | 103.2 | 179.8 | -78.3 | -174.1 | 174.4 | 179.3 | 0 | 110.9 | T1030 | K1028-T1030 PolarHBondContact O-N 2.87Š| ||
| 1029 | S | 34.6 | Very low | 45.6 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 83% | 0.832 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -76.1 | 41.1 | -174 | 61.7 | 0 | 0 | 0 | 0 | 114.7 | T1027 | T1027-S1029 PolarHBondContact O-N 2.71Š|
| 1030 | T | 29.7 | Very low | 43 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 79% | 0.791 | 65% | 0.651 | S | S | * | * | trans | -140.6 | 36.5 | 178 | 56.7 | 0 | 0 | 0 | 0 | 113 | K1028 | K1028-T1030 PolarHBondContact O-N 2.87Š| ||
| 1031 | L | 29.4 | Very low | 40.4 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 87% | 0.869 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -110.5 | 138.9 | 161.6 | -101.4 | 155 | 0 | 0 | 0 | 109.5 | ||
| 1032 | K | 28.1 | Very low | 38.1 | Very low | 200 Ų | 200 | 138 Ų | 138 | 87% | 0.87 | 71% | 0.706 | S | S | * | * | trans | -71.2 | 150.7 | -161.3 | -67.9 | 177.9 | 179.5 | 175.3 | 0 | 112.6 | N1034 | K1032-N1034 PolarHBondContact O-N 3.32Å; K1032-N1034 VanDerWaalsContact O-N 3.11Å | ||
| 1033 | R | 27.6 | Very low | 36.3 | Very low | 248 Ų | 248 | 139.2 Ų | 139.2 | 94% | 0.936 | 72% | 0.719 | S | S | * | * | trans | -57.6 | 111.1 | 171.2 | -76.2 | 177.4 | 170.9 | 159.1 | -3.5 | 111.4 | ||||
| 1034 | N | 27.7 | Very low | 35.2 | Very low | 150 Ų | 150 | 141 Ų | 141 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | 178.8 | 131.7 | 137.4 | -81.4 | -16.9 | 0 | 0 | 0 | 104.1 | K1032 | K1032-N1034 PolarHBondContact O-N 3.32Å; K1032-N1034 VanDerWaalsContact O-N 3.11Å | ||
| 1035 | D | 31.4 | Very low | 34.7 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | cis | -154.6 | 178.3 | 47.8 | -133.1 | -44 | 0 | 0 | 0 | 114.7 | Y1037 | D1035-Y1037 PolarHBondContact O-N 2.89Š| ||
| 1036 | K | 28.5 | Very low | 35 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 83% | 0.83 | 71% | 0.709 | S | S | * | * | trans | -90.9 | 61 | -175.4 | -67.3 | -178.4 | 179.7 | 173.1 | 0 | 115.1 | ||||
| 1037 | Y | 33.3 | Very low | 35.3 | Very low | 224 Ų | 224 | 141.8 Ų | 141.8 | 88% | 0.878 | 72% | 0.724 | S | S | * | * | trans | -131.3 | 137.8 | 162.5 | -81.8 | -79.7 | 0 | 0 | 0 | 112.2 | D1035 | D1035-Y1037 PolarHBondContact O-N 2.89Š| ||
| 1038 | R | 32 | Very low | 36.2 | Very low | 242 Ų | 242 | 138.3 Ų | 138.3 | 91% | 0.913 | 70% | 0.704 | S | S | * | * | trans | -120.3 | 95.9 | -174.3 | -176.9 | -170.7 | -167.5 | -177.5 | 5.8 | 109.4 | ||||
| 1039 | P | 32.5 | Very low | 37.8 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 72% | 0.721 | 67% | 0.673 | S | S | * | * | trans | -65 | 147.8 | 166.1 | -16 | 30.7 | 0 | 0 | 0 | 110.3 | ||||
| 1040 | S | 27.7 | Very low | 40.2 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | trans | -67.5 | 140.1 | 161.6 | 46.6 | 0 | 0 | 0 | 0 | 109.8 | S1042 | S1040-S1042 PolarHBondContact O-N 2.94Š| ||
| 1041 | L | 25.1 | Very low | 43 | Very low | 177 Ų | 177 | 123.2 Ų | 123.2 | 93% | 0.927 | 62% | 0.618 | S | S | * | * | trans | -64.8 | 107 | 168.9 | -79.8 | 75.4 | 0 | 0 | 0 | 108.9 | ||||
| 1042 | S | 28.2 | Very low | 45.9 | Very low | 110 Ų | 110 | 116.6 Ų | 116.6 | 77% | 0.769 | 58% | 0.582 | S | S | * | * | trans | -84.3 | 159.9 | 153.7 | 47.3 | 0 | 0 | 0 | 0 | 109.4 | S1040 D1044 | S1040-S1042 PolarHBondContact O-N 2.94Å; S1042-D1044 PolarHBondContact O-N 2.9Å | ||
| 1043 | S | 33 | Very low | 48.8 | Very low | 84 Ų | 84 | 107.3 Ų | 107.3 | 59% | 0.587 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -70.1 | 118 | -174.1 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1044 | D | 42.6 | Very low | 51.8 | Low | 85 Ų | 85 | 95.5 Ų | 95.5 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | trans | -162.5 | 92.3 | 141.1 | -113 | -7.6 | 0 | 0 | 0 | 108.6 | S1042 F1046 | S1042-D1044 PolarHBondContact O-N 2.9Å; D1044-F1046 PolarHBondContact O-N 3.37Å | ||
| 1045 | D | 48.5 | Very low | 54.7 | Low | 65 Ų | 65 | 89.2 Ų | 89.2 | 35% | 0.348 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 19.9 | -172.7 | -69.2 | -69.1 | 0 | 0 | 0 | 114.2 | L893 S896 F1024 | L893-D1045 HydrophobicContact CD2-CB 3.68Å; L893-D1045 HydrophobicContact CG-CB 4.17Å; S896-D1045 PolarHBondContact OG-OD2 2.97Å; F1024-D1045 WeakPolarHBondContact CE2-O 3.49Å; F1024-D1045 WeakPolarHBondContact CZ-O 3.21Å |
| 1046 | F | 59.8 | Low | 57.3 | Low | 25 Ų | 25 | 83.5 Ų | 83.5 | 11% | 0.11 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 5.2 | -175.4 | -103.6 | -98.9 | 0 | 0 | 0 | 115 | R982 F1024 D1044 C1048 A1049 I1080 | R982-F1046 HydrophobicContact CB-CD1 4.02Å; R982-F1046 HydrophobicContact CB-CE1 4.31Å; F1024-F1046 HydrophobicContact CE2-CD2 4.31Å; F1024-F1046 HydrophobicContact CE2-CE2 4.24Å; D1044-F1046 PolarHBondContact O-N 3.37Å; F1046-C1048 PolarHBondContact O-N 2.92Å; F1046-A1049 HydrophobicContact CD1-CB 3.6Å; F1046-A1049 HydrophobicContact CE1-CB 4.23Å; F1046-A1049 VanDerWaalsContact O-CB 3.28Å; F1046-A1049 WeakPolarHBondContact O-CB 3.17Å; F1046-A1049 PolarHBondContact O-N 2.86Å; F1046-I1080 HydrophobicContact CZ-CD1 4.43Å; F1046-I1080 HydrophobicContact CZ-CG1 4.3Å; F1046-I1080 HydrophobicContact CZ-CG2 4.18Å |
| 1047 | D | 58.6 | Low | 59.5 | Low | 136 Ų | 136 | 76.7 Ų | 76.7 | 73% | 0.727 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -24.3 | -173.1 | -87.5 | -11.9 | 0 | 0 | 0 | 116.6 | ||
| 1048 | C | 61.4 | Low | 61.3 | Low | 38 Ų | 38 | 73.3 Ų | 73.3 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 0.2 | -179.9 | -63.4 | 0 | 0 | 0 | 0 | 114.4 | N1022 F1046 | N1022-C1048 PolarHBondContact ND2-O 2.86Å; F1046-C1048 PolarHBondContact O-N 2.92Å |
| 1049 | A | 74.1 | Confident | 63 | Low | 10 Ų | 10 | 64.2 Ų | 64.2 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -75.9 | 146 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R982 L983 A984 F1046 Q1051 | R982-A1049 HydrophobicContact CB-CB 4.4Å; L983-A1049 WeakPolarHBondContact O-CA 3.41Å; L983-A1049 WeakPolarHBondContact O-CB 3.21Å; A984-A1049 HydrophobicContact CB-CB 4.22Å; F1046-A1049 HydrophobicContact CD1-CB 3.6Å; F1046-A1049 HydrophobicContact CE1-CB 4.23Å; F1046-A1049 VanDerWaalsContact O-CB 3.28Å; F1046-A1049 WeakPolarHBondContact O-CB 3.17Å; F1046-A1049 PolarHBondContact O-N 2.86Å; A1049-Q1051 WeakPolarHBondContact O-CG 3.14Å; A1049-Q1051 PolarHBondContact O-N 3.48Å |
| 1050 | S | 85.5 | Confident | 65 | Low | 22 Ų | 22 | 59.1 Ų | 59.1 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 126 | 173.1 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | R982 L983 | R982-S1050 CarbonylContact C-O 3.58Å; R982-S1050 WeakPolarHBondContact CA-O 3.19Å; L983-S1050 PolarHBondContact N-O 2.8Å; L983-S1050 PolarHBondContact O-N 2.98Å |
| 1051 | Q | 87.9 | Confident | 67.3 | Low | 68 Ų | 68 | 57.2 Ų | 57.2 | 32% | 0.318 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.4 | -174.9 | -46.3 | -162.4 | 13.2 | 0 | 0 | 111.6 | L981 R982 A1049 L1430 | L981-Q1051 CarbonylContact O-C 3.55Å; L981-Q1051 WeakPolarHBondContact O-CA 3.36Å; R982-Q1051 HydrophobicContact CG-CG 4.07Å; A1049-Q1051 WeakPolarHBondContact O-CG 3.14Å; A1049-Q1051 PolarHBondContact O-N 3.48Å; Q1051-L1430 HydrophobicContact CB-CD1 4.07Å |
| 1052 | F | 90.6 | Very high | 70 | Confident | 27 Ų | 27 | 49 Ų | 49 | 12% | 0.118 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 116 | -176.3 | -52.4 | -88 | 0 | 0 | 0 | 109.9 | L981 L983 I998 W1016 V1019 | L981-F1052 HydrophobicContact CB-CB 4.34Å; L981-F1052 PolarHBondContact N-O 2.87Å; L981-F1052 PolarHBondContact O-N 3.41Å; L983-F1052 HydrophobicContact CB-CE2 4.5Å; L983-F1052 HydrophobicContact CD1-CD2 4.36Å; L983-F1052 HydrophobicContact CD1-CE2 4.04Å; I998-F1052 HydrophobicContact CD1-CD2 4.49Å; I998-F1052 HydrophobicContact CD1-CE2 4Å; I998-F1052 HydrophobicContact CD1-CZ 4.05Å; W1016-F1052 HydrophobicContact CB-CE1 4.49Å; W1016-F1052 AromaticContact CD1-CD1 3.84Å; W1016-F1052 HydrophobicContact CD2-CB 4.47Å; W1016-F1052 AromaticContact CD2-CD1 3.87Å; W1016-F1052 HydrophobicContact CD2-CD1 3.87Å; W1016-F1052 HydrophobicContact CD2-CG 4.39Å; W1016-F1052 AromaticContact CE2-CD1 3.82Å; W1016-F1052 AromaticContact CG-CD1 3.88Å; W1016-F1052 HydrophobicContact CG-CD1 3.88Å; W1016-F1052 HydrophobicContact CG-CE1 4.18Å; W1016-F1052 HydrophobicContact CH2-CB 3.97Å; W1016-F1052 HydrophobicContact CZ2-CB 3.78Å; W1016-F1052 HydrophobicContact CZ2-CD1 4.44Å; W1016-F1052 HydrophobicContact CZ3-CB 4.4Å; W1016-F1052 AromaticContact NE1-CD1 3.8Å; V1019-F1052 HydrophobicContact CG1-CE1 4.27Å; V1019-F1052 HydrophobicContact CG1-CZ 3.62Å |
| 1053 | G | 88.8 | Confident | 72.9 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 145.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1434 | G1053-L1434 WeakPolarHBondContact O-CD1 3.45Å |
| 1054 | F | 90.9 | Very high | 75.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 149.7 | 171.2 | 59.8 | -94 | 0 | 0 | 0 | 111.7 | A978 G979 L981 V1000 I1014 W1016 I1056 L1063 L1083 | A978-F1054 CarbonylContact C-O 3.6Å; A978-F1054 VanDerWaalsContact CA-O 3.3Å; A978-F1054 WeakPolarHBondContact CA-O 3.32Å; A978-F1054 WeakPolarHBondContact CB-O 3.36Å; G979-F1054 PolarHBondContact N-O 2.95Å; G979-F1054 PolarHBondContact O-N 3.33Å; L981-F1054 HydrophobicContact CB-CE1 4.21Å; V1000-F1054 HydrophobicContact CG1-CD1 4.38Å; V1000-F1054 HydrophobicContact CG1-CD2 3.87Å; V1000-F1054 HydrophobicContact CG1-CE1 4.23Å; V1000-F1054 HydrophobicContact CG1-CE2 3.73Å; V1000-F1054 HydrophobicContact CG1-CG 4.19Å; V1000-F1054 HydrophobicContact CG1-CZ 3.89Å; V1000-F1054 HydrophobicContact CG2-CD1 4.18Å; V1000-F1054 HydrophobicContact CG2-CE1 3.92Å; V1000-F1054 HydrophobicContact CG2-CZ 4.26Å; I1014-F1054 HydrophobicContact CD1-CB 3.79Å; W1016-F1054 HydrophobicContact CH2-CB 4.23Å; W1016-F1054 HydrophobicContact CH2-CD1 4.16Å; F1054-I1056 HydrophobicContact CD2-CG1 3.92Å; F1054-I1056 HydrophobicContact CE2-CD1 3.85Å; F1054-I1056 HydrophobicContact CE2-CG1 3.69Å; F1054-L1063 HydrophobicContact CE2-CD1 3.54Å; F1054-L1063 HydrophobicContact CZ-CD1 3.9Å; F1054-L1083 HydrophobicContact CE1-CD1 3.72Å; F1054-L1083 HydrophobicContact CZ-CD1 3.57Å; F1054-L1083 HydrophobicContact CZ-CD2 4.43Å |
| 1055 | P | 88.2 | Confident | 78.1 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 11% | 0.11 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 155 | 173.7 | 36.4 | -28.9 | 0 | 0 | 0 | 110 | I1014 L1434 V1435 | I1014-P1055 VanDerWaalsContact CD1-CD 3.46Å; I1014-P1055 HydrophobicContact CD1-CG 4.2Å; P1055-L1434 HydrophobicContact CG-CD2 4.34Å; P1055-V1435 HydrophobicContact CB-CG1 4.32Å; P1055-V1435 HydrophobicContact CB-CG2 4.3Å |
| 1056 | I | 85.8 | Confident | 80.2 | Confident | 10 Ų | 10 | 32.8 Ų | 32.8 | 5% | 0.051 | 16% | 0.164 | C | C | . | . | trans | -123.1 | 123.2 | 176.1 | -63.3 | 176.8 | 0 | 0 | 0 | 107.7 | V972 A976 T977 A978 F1054 F1085 | V972-I1056 HydrophobicContact CG1-CG2 3.91Å; A976-I1056 HydrophobicContact CB-CD1 4.32Å; T977-I1056 PolarHBondContact O-N 2.9Å; A978-I1056 VanDerWaalsContact C-CD1 3.48Å; F1054-I1056 HydrophobicContact CD2-CG1 3.92Å; F1054-I1056 HydrophobicContact CE2-CD1 3.85Å; F1054-I1056 HydrophobicContact CE2-CG1 3.69Å; I1056-F1085 HydrophobicContact CD1-CD1 3.5Å; I1056-F1085 HydrophobicContact CD1-CE1 3.6Å | ||
| 1057 | K | 75.3 | Confident | 81.8 | Confident | 49 Ų | 49 | 31.6 Ų | 31.6 | 21% | 0.213 | 16% | 0.159 | C | C | . | . | trans | -69.7 | 140.3 | 173.1 | -71.9 | -162 | 171.2 | -152.5 | 0 | 109.6 | D1010 E1059 T1060 | D1010-K1057 IonicContact OD2-NZ 2.76Å; D1010-K1057 PolarHBondContact OD2-NZ 2.81Å; K1057-E1059 PolarHBondContact O-N 3.05Å; K1057-T1060 VanDerWaalsContact O-CB 3.27Å; K1057-T1060 WeakPolarHBondContact O-CB 3.45Å; K1057-T1060 PolarHBondContact O-N 2.84Å; K1057-T1060 PolarHBondContact O-OG1 2.85Å | ||
| 1058 | W | 71 | Confident | 83.3 | Confident | 152 Ų | 152 | 25.1 Ų | 25.1 | 58% | 0.576 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.1 | -179 | 76.7 | -78.8 | 0 | 0 | 0 | 114.5 | K1093 | W1058-K1093 VanDerWaalsContact NE1-NZ 3.18Š|
| 1059 | E | 67.1 | Low | 84.5 | Confident | 51 Ų | 51 | 23.3 Ų | 23.3 | 24% | 0.238 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -5 | 177.2 | -71.2 | 155.2 | -133.3 | 0 | 0 | 113.8 | R723 K1057 D1061 | R723-E1059 VanDerWaalsContact CZ-O 3.29Å; R723-E1059 PolarHBondContact NH1-O 3.07Å; R723-E1059 PolarHBondContact NH2-O 3.37Å; K1057-E1059 PolarHBondContact O-N 3.05Å; E1059-D1061 PolarHBondContact O-N 2.91Å |
| 1060 | T | 75.2 | Confident | 84.8 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | trans | -81.8 | 92.3 | -176.1 | -50.8 | 0 | 0 | 0 | 0 | 110.3 | V972 K1057 C1062 | V972-T1060 WeakPolarHBondContact CB-O 3.45Å; V972-T1060 WeakPolarHBondContact CG1-O 3.23Å; V972-T1060 HydrophobicContact CG2-CG2 4.02Å; V972-T1060 VanDerWaalsContact CG2-O 3.3Å; V972-T1060 WeakPolarHBondContact CG2-O 3.37Å; K1057-T1060 VanDerWaalsContact O-CB 3.27Å; K1057-T1060 WeakPolarHBondContact O-CB 3.45Å; K1057-T1060 PolarHBondContact O-N 2.84Å; K1057-T1060 PolarHBondContact O-OG1 2.85Å; T1060-C1062 VanDerWaalsContact C-N 3.35Å; T1060-C1062 WeakPolarHBondContact CG2-O 3.28Å | ||
| 1061 | D | 76.1 | Confident | 84.1 | Confident | 64 Ų | 64 | 24.2 Ų | 24.2 | 34% | 0.342 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -73.6 | -28.8 | 174.4 | -57.7 | -0.4 | 0 | 0 | 0 | 112.4 | R723 V972 E1059 | R723-D1061 VanDerWaalsContact CD-OD2 3.23Å; R723-D1061 WeakPolarHBondContact CD-OD2 3.37Å; R723-D1061 HydrophobicContact CG-CB 4.2Å; R723-D1061 IonicContact CZ-OD1 2.69Å; R723-D1061 IonicContact CZ-OD2 3.8Å; R723-D1061 IonicContact NE-OD2 2.68Å; R723-D1061 IonicContact NH1-OD1 3.38Å; R723-D1061 PolarHBondContact NH1-OD1 2.84Å; R723-D1061 IonicContact NH1-OD2 2.7Å; R723-D1061 PolarHBondContact NH1-OD2 2.91Å; V972-D1061 PolarHBondContact N-O 3.27Å; E1059-D1061 PolarHBondContact O-N 2.91Å |
| 1062 | C | 82.4 | Confident | 83 | Confident | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.034 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 135.9 | -174.1 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | R722 I970 P1003 T1060 | R722-C1062 WeakPolarHBondContact O-CB 3.4Å; I970-C1062 WeakPolarHBondContact O-CA 3.41Å; P1003-C1062 WeakPolarHBondContact CD-O 3.24Å; T1060-C1062 VanDerWaalsContact C-N 3.35Å; T1060-C1062 WeakPolarHBondContact CG2-O 3.28Å |
| 1063 | L | 88 | Confident | 81.8 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.4 | -179.2 | 179.4 | 147 | 0 | 0 | 0 | 109.9 | F969 I970 V972 V1000 F1054 L1065 L1083 | F969-L1063 WeakPolarHBondContact CA-O 3.42Å; I970-L1063 HydrophobicContact CD1-CD2 4.27Å; I970-L1063 PolarHBondContact N-O 2.91Å; I970-L1063 PolarHBondContact O-N 2.56Å; V972-L1063 HydrophobicContact CG2-CB 3.8Å; V1000-L1063 HydrophobicContact CG1-CD1 3.71Å; V1000-L1063 HydrophobicContact CG1-CD2 4.24Å; V1000-L1063 HydrophobicContact CG1-CG 4.04Å; F1054-L1063 HydrophobicContact CE2-CD1 3.54Å; F1054-L1063 HydrophobicContact CZ-CD1 3.9Å; L1063-L1065 HydrophobicContact CD2-CB 4.14Å; L1063-L1083 HydrophobicContact CD2-CD2 4.31Å |
| 1064 | E | 90.7 | Very high | 80.7 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 112.3 | 168.8 | 173.1 | -164.2 | 176.5 | 0 | 0 | 108.4 | S448 L449 R967 F969 V1000 N1001 T1066 | S448-E1064 WeakPolarHBondContact CA-OE1 3.48Å; L449-E1064 PolarHBondContact N-OE1 2.81Å; L449-E1064 VanDerWaalsContact N-OE1 3.13Å; L449-E1064 PolarHBondContact N-OE2 2.87Å; L449-E1064 VanDerWaalsContact N-OE2 3.08Å; R967-E1064 IonicContact NE-OE1 3.83Å; F969-E1064 HydrophobicContact CD1-CB 4.05Å; F969-E1064 HydrophobicContact CD1-CG 4.26Å; F969-E1064 HydrophobicContact CE1-CB 4.02Å; F969-E1064 HydrophobicContact CE1-CG 3.82Å; V1000-E1064 WeakPolarHBondContact CA-O 3.45Å; N1001-E1064 HydrophobicContact CB-CB 4.13Å; N1001-E1064 PolarHBondContact N-O 2.81Å; N1001-E1064 PolarHBondContact ND2-OE2 2.99Å; N1001-E1064 PolarHBondContact O-N 3.18Å; E1064-T1066 WeakPolarHBondContact CG-OG1 3.43Å; E1064-T1066 PolarHBondContact OE1-OG1 2.84Å |
| 1065 | L | 93.5 | Very high | 79.6 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.4 | 162.5 | 171.4 | 63.4 | 0 | 0 | 0 | 107.9 | F955 R967 W968 I970 L981 I998 V1000 L1063 I1067 | F955-L1065 HydrophobicContact CD1-CD2 4.44Å; F955-L1065 HydrophobicContact CE1-CD2 3.78Å; F955-L1065 HydrophobicContact CE2-CD2 4.11Å; F955-L1065 HydrophobicContact CZ-CD2 3.59Å; R967-L1065 CarbonylContact C-O 3.55Å; R967-L1065 WeakPolarHBondContact CA-O 3.36Å; W968-L1065 HydrophobicContact CB-CB 4.46Å; W968-L1065 HydrophobicContact CE3-CD2 4.35Å; W968-L1065 HydrophobicContact CE3-CG 4.25Å; W968-L1065 PolarHBondContact N-O 2.74Å; W968-L1065 PolarHBondContact O-N 2.94Å; I970-L1065 HydrophobicContact CD1-CB 4.38Å; L981-L1065 HydrophobicContact CD1-CD1 4.28Å; L981-L1065 HydrophobicContact CD1-CD2 3.81Å; L981-L1065 HydrophobicContact CD2-CD1 3.79Å; I998-L1065 HydrophobicContact CG2-CD1 4.17Å; V1000-L1065 HydrophobicContact CG2-CD1 3.84Å; L1063-L1065 HydrophobicContact CD2-CB 4.14Å; L1065-I1067 HydrophobicContact CD1-CG1 4.32Å |
| 1066 | T | 92.8 | Very high | 79 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.5 | 176 | -72.1 | 0 | 0 | 0 | 0 | 109.9 | P447 V965 R966 R967 T999 E1064 | P447-T1066 HydrophobicContact CB-CG2 3.77Å; P447-T1066 HydrophobicContact CG-CG2 3.61Å; V965-T1066 HydrophobicContact CG1-CG2 3.7Å; R966-T1066 WeakPolarHBondContact O-CA 3.47Å; R967-T1066 WeakPolarHBondContact CD-OG1 3.29Å; R967-T1066 HydrophobicContact CG-CG2 4Å; R967-T1066 VanDerWaalsContact CG-OG1 3.24Å; R967-T1066 WeakPolarHBondContact CG-OG1 3.43Å; T999-T1066 PolarHBondContact N-O 2.91Å; T999-T1066 PolarHBondContact O-N 2.97Å; T999-T1066 WeakPolarHBondContact OG1-CB 2.98Å; E1064-T1066 WeakPolarHBondContact CG-OG1 3.43Å; E1064-T1066 PolarHBondContact OE1-OG1 2.84Å |
| 1067 | I | 93.6 | Very high | 78.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.7 | 176 | -57.8 | 176.6 | 0 | 0 | 0 | 107.4 | F955 F959 R966 W968 L983 F996 T997 I998 L1065 | F955-I1067 HydrophobicContact CE2-CD1 3.94Å; F955-I1067 HydrophobicContact CZ-CD1 4.43Å; F959-I1067 HydrophobicContact CE1-CB 4.38Å; F959-I1067 HydrophobicContact CE1-CG2 4.01Å; F959-I1067 WeakPolarHBondContact CE1-O 3.4Å; F959-I1067 HydrophobicContact CE2-CG2 4.45Å; F959-I1067 HydrophobicContact CZ-CB 3.89Å; F959-I1067 HydrophobicContact CZ-CG2 3.56Å; R966-I1067 PolarHBondContact N-O 3.4Å; R966-I1067 PolarHBondContact O-N 2.99Å; W968-I1067 HydrophobicContact CH2-CD1 4.31Å; W968-I1067 HydrophobicContact CZ3-CB 4.17Å; W968-I1067 HydrophobicContact CZ3-CD1 3.88Å; W968-I1067 HydrophobicContact CZ3-CG1 4Å; L983-I1067 HydrophobicContact CD1-CD1 4.21Å; L983-I1067 HydrophobicContact CD2-CD1 3.76Å; F996-I1067 HydrophobicContact CB-CG2 4.4Å; F996-I1067 HydrophobicContact CD1-CG2 3.8Å; F996-I1067 HydrophobicContact CG-CG2 4.4Å; T997-I1067 CarbonylContact O-C 3.54Å; I998-I1067 HydrophobicContact CG1-CG1 4.43Å; I998-I1067 HydrophobicContact CG1-CG2 4.5Å; I998-I1067 HydrophobicContact CG2-CG1 4.4Å; L1065-I1067 HydrophobicContact CD1-CG1 4.32Å |
| 1068 | A | 90.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 118.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | P447 N532 K964 V965 F996 T997 | P447-A1068 HydrophobicContact CB-CB 4.04Å; P447-A1068 HydrophobicContact CG-CB 3.87Å; N532-A1068 HydrophobicContact CB-CB 3.61Å; K964-A1068 CarbonylContact O-C 3.58Å; K964-A1068 VanDerWaalsContact O-CA 3.22Å; K964-A1068 WeakPolarHBondContact O-CA 3.41Å; V965-A1068 HydrophobicContact CB-CB 4.44Å; V965-A1068 HydrophobicContact CG1-CB 4.32Å; V965-A1068 HydrophobicContact CG2-CB 3.93Å; F996-A1068 CarbonylContact C-O 3.59Å; F996-A1068 WeakPolarHBondContact CA-O 3.38Å; T997-A1068 PolarHBondContact N-O 3.19Å; T997-A1068 PolarHBondContact O-N 2.69Å |
| 1069 | Q | 86.2 | Confident | 80.4 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 144.8 | 174.1 | -167.8 | 179.3 | 22.9 | 0 | 0 | 110.5 | F959 K964 F996 L1073 M1075 | F959-Q1069 HydrophobicContact CB-CB 4.44Å; F959-Q1069 HydrophobicContact CD1-CB 3.98Å; K964-Q1069 HydrophobicContact CB-CB 4.4Å; K964-Q1069 PolarHBondContact O-N 3.28Å; F996-Q1069 HydrophobicContact CD1-CB 4.19Å; F996-Q1069 HydrophobicContact CE1-CB 3.97Å; F996-Q1069 HydrophobicContact CE1-CG 4.19Å; Q1069-L1073 HydrophobicContact CG-CB 4.22Å; Q1069-M1075 PolarHBondContact NE2-O 2.97Å |
| 1070 | H | 81.5 | Confident | 81.5 | Confident | 28 Ų | 28 | 17.5 Ų | 17.5 | 13% | 0.13 | 10% | 0.096 | C | C | . | . | trans | -60.5 | 137.6 | 176.6 | -170.3 | -99.5 | 0 | 0 | 0 | 111.6 | E995 G1072 L1073 | E995-H1070 HydrophobicContact CB-CB 3.94Å; E995-H1070 WeakPolarHBondContact O-CB 3.25Å; E995-H1070 PolarHBondContact O-N 2.86Å; E995-H1070 IonicContact OE2-CD2 3.59Å; E995-H1070 IonicContact OE2-CG 3.54Å; H1070-G1072 VanDerWaalsContact C-N 3.29Å; H1070-G1072 PolarHBondContact O-N 2.93Å; H1070-L1073 HydrophobicContact CB-CD1 4.03Å; H1070-L1073 HydrophobicContact CB-CG 4.3Å; H1070-L1073 PolarHBondContact O-N 3Å | ||
| 1071 | W | 69.6 | Low | 82.2 | Confident | 23 Ų | 23 | 17.2 Ų | 17.2 | 9% | 0.087 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.5 | -161.1 | 58.3 | 87.7 | 0 | 0 | 0 | 114.4 | V469 Y478 Y531 N532 W533 K964 | V469-W1071 HydrophobicContact CG1-CB 4Å; V469-W1071 HydrophobicContact CG1-CG 4.44Å; Y478-W1071 AromaticContact CD1-NE1 3.85Å; Y478-W1071 AromaticContact CD2-NE1 4Å; Y478-W1071 HydrophobicContact CE1-CZ2 4.33Å; Y478-W1071 AromaticContact CE1-NE1 3.65Å; Y478-W1071 AromaticContact CE2-NE1 3.79Å; Y478-W1071 AromaticContact CZ-NE1 3.62Å; Y531-W1071 HydrophobicContact CD1-CB 4.35Å; Y531-W1071 AromaticContact CD1-CD1 3.73Å; Y531-W1071 AromaticContact CD1-CD2 3.55Å; Y531-W1071 HydrophobicContact CD1-CD2 3.55Å; Y531-W1071 AromaticContact CD1-CE2 3.63Å; Y531-W1071 HydrophobicContact CD1-CE3 4.16Å; Y531-W1071 AromaticContact CD1-CG 3.62Å; Y531-W1071 HydrophobicContact CD1-CG 3.62Å; Y531-W1071 HydrophobicContact CD1-CZ2 4.27Å; Y531-W1071 AromaticContact CD1-NE1 3.74Å; Y531-W1071 AromaticContact CE1-CD1 3.64Å; Y531-W1071 HydrophobicContact CE1-CD2 4.1Å; Y531-W1071 AromaticContact CE1-CE2 3.75Å; Y531-W1071 HydrophobicContact CE1-CG 4.04Å; Y531-W1071 HydrophobicContact CE1-CZ2 4.37Å; Y531-W1071 AromaticContact CE1-NE1 3.46Å; N532-W1071 VanDerWaalsContact OD1-CE3 3.27Å; N532-W1071 VanDerWaalsContact OD1-CZ3 3.23Å; N532-W1071 WeakPolarHBondContact OD1-CZ3 3.29Å; W533-W1071 AromaticContact CD1-CE3 3.98Å; W533-W1071 AromaticContact CD1-CH2 3.59Å; W533-W1071 AromaticContact CD1-CZ3 3.25Å; W533-W1071 AromaticContact NE1-CE3 3.76Å; W533-W1071 AromaticContact NE1-CH2 3.14Å; W533-W1071 AromaticContact NE1-CZ2 3.72Å; W533-W1071 AromaticContact NE1-CZ3 3.18Å; K964-W1071 PolarHBondContact NZ-O 3.3Å |
| 1072 | G | 64.6 | Low | 82.9 | Confident | 22 Ų | 22 | 15 Ų | 15 | 23% | 0.227 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | H1070 | H1070-G1072 VanDerWaalsContact C-N 3.29Å; H1070-G1072 PolarHBondContact O-N 2.93Å |
| 1073 | L | 67.1 | Low | 83.3 | Confident | 34 Ų | 34 | 14.9 Ų | 14.9 | 18% | 0.178 | 8% | 0.081 | C | C | . | . | trans | -92.4 | 121.3 | 178.4 | -61.9 | 176.9 | 0 | 0 | 0 | 110.3 | K964 C994 Q1069 H1070 | K964-L1073 WeakPolarHBondContact CE-O 3.39Å; K964-L1073 PolarHBondContact NZ-O 3.36Å; C994-L1073 HydrophobicContact CB-CD1 4.22Å; Q1069-L1073 HydrophobicContact CG-CB 4.22Å; H1070-L1073 HydrophobicContact CB-CD1 4.03Å; H1070-L1073 HydrophobicContact CB-CG 4.3Å; H1070-L1073 PolarHBondContact O-N 3Å | ||
| 1074 | E | 65.5 | Low | 83.3 | Confident | 35 Ų | 35 | 16 Ų | 16 | 16% | 0.164 | 9% | 0.086 | C | C | . | . | trans | -99.4 | -14.6 | 177.7 | -72.3 | -70.6 | 96.5 | 0 | 0 | 113.5 | L522 A526 A961 K964 | L522-E1074 HydrophobicContact CD2-CG 3.73Å; L522-E1074 HydrophobicContact CG-CG 4.24Å; A526-E1074 WeakPolarHBondContact CA-OE2 3.36Å; A526-E1074 VanDerWaalsContact CB-OE2 3.27Å; A526-E1074 WeakPolarHBondContact CB-OE2 3.06Å; A961-E1074 WeakPolarHBondContact CB-OE2 3.49Å; K964-E1074 VanDerWaalsContact CE-OE1 3.3Å; K964-E1074 WeakPolarHBondContact CE-OE1 3.42Å; K964-E1074 IonicContact NZ-OE1 3.16Å; K964-E1074 PolarHBondContact NZ-OE1 2.99Å | ||
| 1075 | M | 68 | Low | 83.3 | Confident | 52 Ų | 52 | 15.9 Ų | 15.9 | 26% | 0.256 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -68.7 | 135.7 | -176.5 | -64.4 | -165.5 | 75.7 | 0 | 0 | 111.5 | D989 K992 Q1069 A1077 | D989-M1075 HydrophobicContact CB-CE 3.97Å; D989-M1075 WeakPolarHBondContact OD1-CE 3.47Å; D989-M1075 WeakPolarHBondContact OD2-CE 3.48Å; K992-M1075 HydrophobicContact CD-CE 4.47Å; K992-M1075 HydrophobicContact CD-SD 4.05Å; Q1069-M1075 PolarHBondContact NE2-O 2.97Å; M1075-A1077 PolarHBondContact O-N 2.85Å |
| 1076 | P | 75.2 | Confident | 83.1 | Confident | 49 Ų | 49 | 17.9 Ų | 17.9 | 32% | 0.318 | 9% | 0.093 | S | C | . | . | trans | -83.8 | 98.1 | -172 | 32.5 | -34.6 | 0 | 0 | 0 | 112.8 | F959 | F959-P1076 CarbonylContact O-C 3.54Å; F959-P1076 WeakPolarHBondContact O-CA 3.24Å | ||
| 1077 | A | 82.1 | Confident | 82.8 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | trans | -84.1 | 150.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F959 F996 M1075 | F959-A1077 PolarHBondContact N-O 2.92Å; F959-A1077 PolarHBondContact O-N 2.8Å; F996-A1077 HydrophobicContact CZ-CB 3.94Å; M1075-A1077 PolarHBondContact O-N 2.85Å | ||
| 1078 | I | 88.9 | Confident | 82.4 | Confident | 33 Ų | 33 | 18.2 Ų | 18.2 | 17% | 0.169 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 109.3 | 173.9 | -60.8 | 177.6 | 0 | 0 | 0 | 108.1 | R958 R985 I986 D987 | R958-I1078 HydrophobicContact CB-CG1 4.4Å; R958-I1078 HydrophobicContact CG-CG1 4.23Å; R985-I1078 WeakPolarHBondContact CA-O 3.31Å; I986-I1078 HydrophobicContact CB-CG2 4.33Å; I986-I1078 PolarHBondContact N-O 2.8Å; D987-I1078 HydrophobicContact CB-CB 4.45Å; D987-I1078 PolarHBondContact OD1-N 3.14Å |
| 1079 | V | 89.5 | Confident | 82 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.6 | 178.2 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | S956 D957 F959 L983 A984 R985 F996 L1021 | S956-V1079 VanDerWaalsContact CA-O 3.22Å; S956-V1079 WeakPolarHBondContact CA-O 3.33Å; S956-V1079 WeakPolarHBondContact CB-O 3.23Å; S956-V1079 PolarHBondContact OG-O 3.06Å; D957-V1079 PolarHBondContact N-O 3.38Å; D957-V1079 PolarHBondContact O-N 2.86Å; F959-V1079 HydrophobicContact CD2-CB 4.39Å; F959-V1079 HydrophobicContact CD2-CG2 3.84Å; F959-V1079 HydrophobicContact CE2-CB 3.85Å; F959-V1079 HydrophobicContact CE2-CG2 3.6Å; L983-V1079 HydrophobicContact CD2-CG1 3.9Å; A984-V1079 WeakPolarHBondContact O-CA 3.48Å; R985-V1079 HydrophobicContact CG-CG2 4.43Å; F996-V1079 HydrophobicContact CE1-CG2 3.92Å; F996-V1079 HydrophobicContact CE2-CG2 4.41Å; F996-V1079 HydrophobicContact CZ-CG2 3.76Å; L1021-V1079 HydrophobicContact CD1-CG1 3.92Å; L1021-V1079 HydrophobicContact CD1-CG2 3.99Å |
| 1080 | I | 90.7 | Very high | 81.9 | Confident | 11 Ų | 11 | 21.2 Ų | 21.2 | 6% | 0.056 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 148.7 | 164.9 | -168.2 | 167.3 | 0 | 0 | 0 | 109.1 | L983 A984 I986 F1046 | L983-I1080 WeakPolarHBondContact CA-O 3.49Å; A984-I1080 HydrophobicContact CB-CG2 4.12Å; A984-I1080 PolarHBondContact N-O 3.39Å; A984-I1080 PolarHBondContact O-N 3.36Å; I986-I1080 HydrophobicContact CD1-CB 3.78Å; I986-I1080 HydrophobicContact CD1-CD1 4.03Å; I986-I1080 HydrophobicContact CD1-CG1 4.49Å; I986-I1080 HydrophobicContact CD1-CG2 3.77Å; I986-I1080 HydrophobicContact CG1-CB 4.34Å; I986-I1080 HydrophobicContact CG1-CG2 3.92Å; F1046-I1080 HydrophobicContact CZ-CD1 4.43Å; F1046-I1080 HydrophobicContact CZ-CG1 4.3Å; F1046-I1080 HydrophobicContact CZ-CG2 4.18Å |
| 1081 | G | 90.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 157.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F955 R982 | F955-G1081 WeakPolarHBondContact CD1-O 3.24Å; F955-G1081 VanDerWaalsContact CE1-C 3.46Å; F955-G1081 PolarHBondContact N-O 3.18Å; F955-G1081 PolarHBondContact O-N 3.07Å; R982-G1081 CarbonylContact O-C 3.56Å; R982-G1081 WeakPolarHBondContact O-CA 3.46Å |
| 1082 | E | 90.7 | Very high | 82.3 | Confident | 18 Ų | 18 | 24 Ų | 24 | 8% | 0.084 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.8 | 173.3 | -176.7 | -172.7 | -144.6 | 0 | 0 | 107 | R952 L954 R982 Y1084 | R952-E1082 WeakPolarHBondContact CD-OE1 3.44Å; R952-E1082 IonicContact CZ-OE1 2.63Å; R952-E1082 IonicContact NE-OE1 3.35Å; R952-E1082 IonicContact NH1-OE1 2.75Å; R952-E1082 PolarHBondContact NH1-OE1 2.95Å; L954-E1082 HydrophobicContact CD1-CB 4.26Å; R982-E1082 HydrophobicContact CB-CB 4.38Å; R982-E1082 WeakPolarHBondContact CD-OE2 3.49Å; R982-E1082 IonicContact CZ-OE2 2.96Å; R982-E1082 PolarHBondContact N-O 3.02Å; R982-E1082 IonicContact NE-OE2 2.73Å; R982-E1082 IonicContact NH1-OE2 3.45Å; R982-E1082 PolarHBondContact NH1-OE2 2.87Å; R982-E1082 PolarHBondContact O-N 3.3Å; E1082-Y1084 HydrophobicContact CG-CD1 4.18Å |
| 1083 | L | 91.2 | Very high | 82.6 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.5 | 166.8 | 169.1 | 62 | 0 | 0 | 0 | 108.4 | R952 F953 F955 I970 I980 L981 F1054 L1063 F1085 | R952-L1083 CarbonylContact C-O 3.54Å; R952-L1083 WeakPolarHBondContact CA-O 3.33Å; F953-L1083 HydrophobicContact CB-CB 4.34Å; F953-L1083 HydrophobicContact CD1-CB 4.49Å; F953-L1083 PolarHBondContact N-O 2.56Å; F953-L1083 PolarHBondContact O-N 2.79Å; F955-L1083 HydrophobicContact CE1-CB 4.32Å; I970-L1083 HydrophobicContact CD1-CD2 3.61Å; I980-L1083 WeakPolarHBondContact O-CA 3.34Å; L981-L1083 HydrophobicContact CB-CD1 4.4Å; L981-L1083 HydrophobicContact CD1-CB 4.16Å; F1054-L1083 HydrophobicContact CE1-CD1 3.72Å; F1054-L1083 HydrophobicContact CZ-CD1 3.57Å; F1054-L1083 HydrophobicContact CZ-CD2 4.43Å; L1063-L1083 HydrophobicContact CD2-CD2 4.31Å; L1083-F1085 HydrophobicContact CD2-CE2 3.98Å; L1083-F1085 HydrophobicContact CD2-CZ 3.75Å; L1083-F1085 HydrophobicContact CG-CE2 3.86Å; L1083-F1085 HydrophobicContact CG-CZ 4.07Å |
| 1084 | Y | 87.9 | Confident | 83.2 | Confident | 23 Ų | 23 | 31.5 Ų | 31.5 | 9% | 0.09 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 151.2 | 174.8 | 61.9 | -83.2 | 0 | 0 | 0 | 112.6 | P951 G979 I980 R982 E1082 | P951-Y1084 VanDerWaalsContact O-CA 3.28Å; P951-Y1084 WeakPolarHBondContact O-CA 3.37Å; P951-Y1084 WeakPolarHBondContact O-CB 3.28Å; G979-Y1084 WeakPolarHBondContact CA-O 3.41Å; I980-Y1084 HydrophobicContact CB-CD1 4.38Å; I980-Y1084 HydrophobicContact CB-CD2 4.46Å; I980-Y1084 HydrophobicContact CB-CE1 3.88Å; I980-Y1084 HydrophobicContact CB-CE2 3.97Å; I980-Y1084 HydrophobicContact CD1-CE2 3.83Å; I980-Y1084 HydrophobicContact CG1-CE2 4.37Å; I980-Y1084 HydrophobicContact CG2-CE1 3.77Å; I980-Y1084 HydrophobicContact CG2-CE2 4.47Å; I980-Y1084 PolarHBondContact N-O 2.68Å; I980-Y1084 PolarHBondContact O-N 3.02Å; R982-Y1084 HydrophobicContact CG-CE1 4.23Å; E1082-Y1084 HydrophobicContact CG-CD1 4.18Å |
| 1085 | F | 90.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.5 | -168.3 | -65.5 | -99.6 | 0 | 0 | 0 | 111.3 | L942 H950 P951 I970 V972 P973 A976 I1056 L1083 F1112 | L942-F1085 HydrophobicContact CD1-CD2 3.77Å; L942-F1085 HydrophobicContact CD1-CE2 3.42Å; L942-F1085 VanDerWaalsContact CD1-CE2 3.42Å; L942-F1085 HydrophobicContact CD1-CZ 4.25Å; H950-F1085 PolarHBondContact ND1-O 3.45Å; H950-F1085 VanDerWaalsContact ND1-O 3.14Å; P951-F1085 HydrophobicContact CB-CB 4.44Å; P951-F1085 HydrophobicContact CB-CD2 4.5Å; P951-F1085 PolarHBondContact O-N 2.76Å; I970-F1085 HydrophobicContact CG2-CE2 4.5Å; I970-F1085 HydrophobicContact CG2-CZ 4.17Å; V972-F1085 HydrophobicContact CG1-CD1 4.49Å; V972-F1085 HydrophobicContact CG1-CE1 4.28Å; V972-F1085 HydrophobicContact CG2-CE1 4.44Å; P973-F1085 HydrophobicContact CG-CB 4.39Å; P973-F1085 HydrophobicContact CG-CD1 4.43Å; P973-F1085 HydrophobicContact CG-CD2 4.14Å; P973-F1085 HydrophobicContact CG-CG 4.06Å; A976-F1085 HydrophobicContact CB-CB 4.16Å; A976-F1085 HydrophobicContact CB-CD1 3.87Å; A976-F1085 HydrophobicContact CB-CG 4.46Å; I1056-F1085 HydrophobicContact CD1-CD1 3.5Å; I1056-F1085 HydrophobicContact CD1-CE1 3.6Å; L1083-F1085 HydrophobicContact CD2-CE2 3.98Å; L1083-F1085 HydrophobicContact CD2-CZ 3.75Å; L1083-F1085 HydrophobicContact CG-CE2 3.86Å; L1083-F1085 HydrophobicContact CG-CZ 4.07Å; F1085-F1112 HydrophobicContact CB-CE2 4.05Å; F1085-F1112 WeakPolarHBondContact O-CD2 3.5Å |
| 1086 | R | 88.7 | Confident | 85 | Confident | 44 Ų | 44 | 30.2 Ų | 30.2 | 17% | 0.166 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 150.3 | 171.1 | -53.7 | -65.5 | -71.8 | -131.4 | -18 | 108.9 | H950 A976 T977 A978 I980 E1115 Y1426 L1431 | H950-R1086 WeakPolarHBondContact CE1-CD 3.1Å; H950-R1086 PolarHBondContact CE1-NE 2.79Å; H950-R1086 PolarHBondContact NE2-NE 3.33Å; H950-R1086 PolarHBondContact NE2-NH1 3.49Å; A976-R1086 WeakPolarHBondContact CA-O 3.44Å; T977-R1086 PolarHBondContact N-O 3.44Å; A978-R1086 HydrophobicContact CB-CB 4.27Å; A978-R1086 PolarHBondContact N-O 2.8Å; A978-R1086 VanDerWaalsContact N-O 3.13Å; A978-R1086 PolarHBondContact O-N 2.83Å; I980-R1086 HydrophobicContact CD1-CG 4.18Å; R1086-E1115 WeakPolarHBondContact CB-OE1 3.39Å; R1086-E1115 IonicContact CZ-OE2 3.41Å; R1086-E1115 IonicContact NE-OE1 2.93Å; R1086-E1115 PolarHBondContact NE-OE1 2.93Å; R1086-E1115 IonicContact NE-OE2 3.33Å; R1086-E1115 PolarHBondContact NE-OE2 3.31Å; R1086-E1115 IonicContact NH2-OE2 2.8Å; R1086-E1115 PolarHBondContact NH2-OE2 2.77Å; R1086-Y1426 HydrophobicContact CB-CE1 3.86Å; R1086-L1431 HydrophobicContact CB-CD1 4.15Å; R1086-L1431 HydrophobicContact CG-CD1 3.82Å |
| 1087 | G | 86.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -148.9 | 71.3 | -164 | 0 | 0 | 0 | 0 | 0 | 113.4 | G975 S1110 N1111 E1115 Y1426 | G975-G1087 WeakPolarHBondContact O-CA 3.4Å; G1087-S1110 CarbonylContact O-C 3.59Å; G1087-S1110 VanDerWaalsContact O-CA 3.31Å; G1087-S1110 WeakPolarHBondContact O-CA 3.36Å; G1087-N1111 PolarHBondContact O-N 3.15Å; G1087-E1115 PolarHBondContact N-OE1 2.74Å; G1087-E1115 VanDerWaalsContact N-OE1 3.11Å; G1087-Y1426 PolarHBondContact N-OH 2.82Å | ||
| 1088 | L | 85.6 | Confident | 85.6 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 111.6 | 171.9 | -169.4 | 65.3 | 0 | 0 | 0 | 109.6 | T977 L1108 E1115 I1117 F1425 Y1426 Y1437 | T977-L1088 WeakPolarHBondContact CG2-O 3.32Å; T977-L1088 PolarHBondContact OG1-N 3.38Å; T977-L1088 VanDerWaalsContact OG1-N 3.1Å; T977-L1088 PolarHBondContact OG1-O 3.19Å; L1088-L1108 HydrophobicContact CD1-CB 4.23Å; L1088-E1115 HydrophobicContact CD1-CB 4.39Å; L1088-I1117 HydrophobicContact CD1-CG2 4.25Å; L1088-I1117 HydrophobicContact CD2-CG2 3.77Å; L1088-F1425 HydrophobicContact CD2-CB 3.64Å; L1088-Y1426 HydrophobicContact CB-CE1 3.92Å; L1088-Y1426 HydrophobicContact CB-CE2 4.06Å; L1088-Y1426 PolarHBondContact N-OH 3.2Å; L1088-Y1437 PolarHBondContact O-OH 3.03Å; L1088-Y1437 VanDerWaalsContact O-OH 3.11Å |
| 1089 | E | 82.6 | Confident | 85 | Confident | 57 Ų | 57 | 29.2 Ų | 29.2 | 27% | 0.266 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.4 | -174 | -178 | 178.5 | -172.4 | 0 | 0 | 110.6 | T977 R1109 N1111 | T977-E1089 HydrophobicContact CG2-CB 4.46Å; E1089-R1109 PolarHBondContact N-O 2.87Å; E1089-R1109 PolarHBondContact O-N 3.22Å; E1089-N1111 WeakPolarHBondContact CB-ND2 3.41Å; E1089-N1111 PolarHBondContact OE2-ND2 3.49Å |
| 1090 | P | 82.5 | Confident | 84.2 | Confident | 7 Ų | 7 | 32.5 Ų | 32.5 | 5% | 0.045 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 145.3 | 173.1 | 32.6 | -34 | 0 | 0 | 0 | 111.6 | L1092 I1106 G1107 L1108 F1425 Y1437 | P1090-L1092 PolarHBondContact O-N 3.41Å; P1090-L1092 VanDerWaalsContact O-N 3.08Å; P1090-I1106 HydrophobicContact CB-CG2 3.84Å; P1090-G1107 CarbonylContact C-O 3.58Å; P1090-L1108 HydrophobicContact CB-CD2 3.82Å; P1090-F1425 HydrophobicContact CB-CE2 4.15Å; P1090-F1425 HydrophobicContact CG-CE2 4.43Å; P1090-Y1437 VanDerWaalsContact CD-OH 3.31Å; P1090-Y1437 WeakPolarHBondContact CD-OH 3.41Å; P1090-Y1437 HydrophobicContact CG-CD1 3.72Å; P1090-Y1437 HydrophobicContact CG-CD2 4.07Å; P1090-Y1437 HydrophobicContact CG-CE1 3.5Å; P1090-Y1437 VanDerWaalsContact CG-CE1 3.5Å; P1090-Y1437 HydrophobicContact CG-CE2 3.86Å; P1090-Y1437 HydrophobicContact CG-CG 4Å |
| 1091 | S | 81.5 | Confident | 83.5 | Confident | 38 Ų | 38 | 35 Ų | 35 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -62.3 | -14.9 | 177 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | G1107 | S1091-G1107 WeakPolarHBondContact CB-O 3.46Å; S1091-G1107 PolarHBondContact N-O 3.05Å; S1091-G1107 PolarHBondContact OG-N 3.12Å; S1091-G1107 PolarHBondContact OG-O 2.85Å |
| 1092 | L | 79.8 | Confident | 82.5 | Confident | 73 Ų | 73 | 45.1 Ų | 45.1 | 38% | 0.382 | 23% | 0.225 | S | C | . | . | trans | -133.4 | 128.5 | 178.5 | -62.5 | 174.5 | 0 | 0 | 0 | 108.8 | P1090 I1095 | P1090-L1092 PolarHBondContact O-N 3.41Å; P1090-L1092 VanDerWaalsContact O-N 3.08Å; L1092-I1095 HydrophobicContact CB-CG1 4.33Å | ||
| 1093 | K | 71.1 | Confident | 81.8 | Confident | 93 Ų | 93 | 49.8 Ų | 49.8 | 40% | 0.404 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -85.7 | -39.3 | -179.6 | -67.2 | 172.8 | -176.6 | 169 | 0 | 112.8 | W1058 P1438 | W1058-K1093 VanDerWaalsContact NE1-NZ 3.18Å; K1093-P1438 WeakPolarHBondContact O-CD 3.42Å |
| 1094 | N | 78.6 | Confident | 81.3 | Confident | 120 Ų | 120 | 50.3 Ų | 50.3 | 64% | 0.642 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -102.9 | 117.4 | 169.4 | -67.2 | -19.8 | 0 | 0 | 0 | 107.2 | P1438 | N1094-P1438 WeakPolarHBondContact OD1-CG 3.35Š|
| 1095 | I | 86.1 | Confident | 80.9 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.9 | -174.3 | -62.9 | 157.9 | 0 | 0 | 0 | 107.5 | L1092 I1106 F1293 I1423 F1425 P1438 F1439 R1440 | L1092-I1095 HydrophobicContact CB-CG1 4.33Å; I1095-I1106 HydrophobicContact CB-CD1 4.46Å; I1095-I1106 HydrophobicContact CD1-CD1 3.59Å; I1095-I1106 HydrophobicContact CG1-CD1 3.86Å; I1095-I1106 HydrophobicContact CG2-CD1 3.74Å; I1095-F1293 HydrophobicContact CG2-CZ 4.08Å; I1095-I1423 HydrophobicContact CD1-CG2 3.4Å; I1095-I1423 VanDerWaalsContact CD1-CG2 3.4Å; I1095-F1425 HydrophobicContact CD1-CE2 4.18Å; I1095-F1425 HydrophobicContact CD1-CZ 4.03Å; I1095-P1438 PolarHBondContact N-O 3.32Å; I1095-F1439 HydrophobicContact CB-CD2 4.1Å; I1095-F1439 HydrophobicContact CG2-CD2 3.57Å; I1095-F1439 HydrophobicContact CG2-CE2 3.86Å; I1095-F1439 CarbonylContact O-C 3.6Å; I1095-F1439 WeakPolarHBondContact O-CA 3.47Å; I1095-R1440 PolarHBondContact O-N 2.77Å |
| 1096 | V | 86.2 | Confident | 80.5 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 35% | 0.352 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 134.1 | -176.6 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | R1440 I1442 | V1096-R1440 WeakPolarHBondContact CA-O 3.41Å; V1096-R1440 HydrophobicContact CG2-CB 4.49Å; V1096-I1442 HydrophobicContact CG1-CD1 3.5Å; V1096-I1442 VanDerWaalsContact CG1-CD1 3.5Å; V1096-I1442 HydrophobicContact CG1-CG1 3.95Å |
| 1097 | L | 85.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 123.9 | 172.6 | 173.4 | 67.9 | 0 | 0 | 0 | 106.8 | D1101 C1104 F1293 L1295 F1319 F1439 R1440 L1441 I1442 | L1097-D1101 HydrophobicContact CD1-CB 3.65Å; L1097-C1104 HydrophobicContact CB-CB 4.47Å; L1097-C1104 HydrophobicContact CD1-CB 3.91Å; L1097-F1293 HydrophobicContact CD2-CD2 4.49Å; L1097-F1293 HydrophobicContact CD2-CE2 4.16Å; L1097-L1295 HydrophobicContact CD2-CD1 3.62Å; L1097-L1295 HydrophobicContact CD2-CG 4.21Å; L1097-L1295 HydrophobicContact CG-CD1 4.15Å; L1097-F1319 HydrophobicContact CD2-CE1 3.96Å; L1097-F1439 HydrophobicContact CB-CE2 4.25Å; L1097-F1439 HydrophobicContact CB-CZ 4.01Å; L1097-F1439 HydrophobicContact CD2-CZ 4.15Å; L1097-R1440 PolarHBondContact N-O 3.43Å; L1097-L1441 HydrophobicContact CD2-CD1 4.2Å; L1097-L1441 HydrophobicContact CG-CD1 4.19Å; L1097-L1441 CarbonylContact O-C 3.59Å; L1097-L1441 VanDerWaalsContact O-CA 3.29Å; L1097-L1441 WeakPolarHBondContact O-CA 3.16Å; L1097-I1442 PolarHBondContact O-N 2.99Å |
| 1098 | N | 83.4 | Confident | 80 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 150.6 | 171.1 | -47.2 | -78.5 | 0 | 0 | 0 | 108.5 | S1100 D1101 D1444 | N1098-S1100 PolarHBondContact O-N 3.12Å; N1098-S1100 VanDerWaalsContact O-N 3.1Å; N1098-D1101 WeakPolarHBondContact CB-OD2 3.31Å; N1098-D1101 PolarHBondContact N-OD2 3.17Å; N1098-D1101 PolarHBondContact ND2-OD2 3.45Å; N1098-D1101 WeakPolarHBondContact O-CB 3.33Å; N1098-D1101 PolarHBondContact O-N 3.25Å; N1098-D1444 WeakPolarHBondContact CB-OD2 3.33Å |
| 1099 | T | 76 | Confident | 79.8 | Confident | 24 Ų | 24 | 59 Ų | 59 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -15.9 | 178.2 | 42 | 0 | 0 | 0 | 0 | 114.8 | L1441 I1442 M1443 D1444 | T1099-L1441 HydrophobicContact CG2-CD1 3.95Å; T1099-L1441 HydrophobicContact CG2-CG 4.49Å; T1099-I1442 PolarHBondContact N-O 3.18Å; T1099-I1442 PolarHBondContact OG1-O 2.75Å; T1099-M1443 HydrophobicContact CG2-CE 3.6Å; T1099-M1443 HydrophobicContact CG2-SD 3.59Å; T1099-M1443 VanDerWaalsContact CG2-SD 3.59Å; T1099-D1444 PolarHBondContact N-OD2 3.48Å; T1099-D1444 VanDerWaalsContact N-OD2 3.15Å; T1099-D1444 WeakPolarHBondContact OG1-CB 3.41Å; T1099-D1444 PolarHBondContact OG1-N 2.96Å; T1099-D1444 PolarHBondContact OG1-OD2 2.9Å; T1099-D1444 VanDerWaalsContact OG1-OD2 3.13Å |
| 1100 | S | 73.5 | Confident | 79.9 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 49% | 0.49 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -13 | 172.1 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | N1098 D1444 | N1098-S1100 PolarHBondContact O-N 3.12Å; N1098-S1100 VanDerWaalsContact O-N 3.1Å; S1100-D1444 VanDerWaalsContact CB-OD2 3.3Å; S1100-D1444 WeakPolarHBondContact CB-OD2 3.46Å; S1100-D1444 PolarHBondContact N-OD2 3.15Å; S1100-D1444 PolarHBondContact OG-OD2 2.94Å |
| 1101 | D | 75 | Confident | 79.7 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 34% | 0.342 | 29% | 0.285 | S | S | . | . | trans | -79.1 | 121.8 | 179.3 | -70.3 | -44.3 | 0 | 0 | 0 | 111.4 | L1097 N1098 Y1103 | L1097-D1101 HydrophobicContact CD1-CB 3.65Å; N1098-D1101 WeakPolarHBondContact CB-OD2 3.31Å; N1098-D1101 PolarHBondContact N-OD2 3.17Å; N1098-D1101 PolarHBondContact ND2-OD2 3.45Å; N1098-D1101 WeakPolarHBondContact O-CB 3.33Å; N1098-D1101 PolarHBondContact O-N 3.25Å; D1101-Y1103 VanDerWaalsContact C-N 3.33Å; D1101-Y1103 PolarHBondContact O-N 3.05Å | ||
| 1102 | R | 69.3 | Low | 79.5 | Confident | 211 Ų | 211 | 58.4 Ų | 58.4 | 80% | 0.796 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -67.4 | -30.5 | 179.5 | -63.7 | -171.8 | -176.7 | -163.6 | -0.2 | 113.9 | R1294 | R1102-R1294 WeakPolarHBondContact O-CB 3.44Š|
| 1103 | Y | 75.7 | Confident | 79.4 | Confident | 116 Ų | 116 | 56.7 Ų | 56.7 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | trans | -153.9 | 131.9 | -178.2 | -54.9 | -82.5 | 0 | 0 | 0 | 110.1 | D1101 F1293 R1294 | D1101-Y1103 VanDerWaalsContact C-N 3.33Å; D1101-Y1103 PolarHBondContact O-N 3.05Å; Y1103-F1293 CarbonylContact C-O 3.57Å; Y1103-F1293 WeakPolarHBondContact CA-O 3.31Å; Y1103-R1294 HydrophobicContact CD1-CB 3.93Å; Y1103-R1294 HydrophobicContact CD1-CG 4.4Å; Y1103-R1294 HydrophobicContact CE1-CB 4.23Å; Y1103-R1294 HydrophobicContact CE1-CG 4.28Å; Y1103-R1294 PolarHBondContact OH-NH1 2.86Å | ||
| 1104 | C | 80.7 | Confident | 79.5 | Confident | 13 Ų | 13 | 56 Ų | 56 | 9% | 0.088 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 139.3 | 160.8 | -170.2 | 0 | 0 | 0 | 0 | 109.2 | L1097 S1292 F1293 | L1097-C1104 HydrophobicContact CB-CB 4.47Å; L1097-C1104 HydrophobicContact CD1-CB 3.91Å; C1104-S1292 WeakPolarHBondContact O-CA 3.49Å; C1104-F1293 HydrophobicContact CB-CD1 4.38Å; C1104-F1293 HydrophobicContact CB-CD2 4.24Å; C1104-F1293 HydrophobicContact CB-CE1 3.85Å; C1104-F1293 HydrophobicContact CB-CE2 3.7Å; C1104-F1293 HydrophobicContact CB-CZ 3.49Å; C1104-F1293 VanDerWaalsContact CB-CZ 3.49Å; C1104-F1293 PolarHBondContact N-O 3.05Å; C1104-F1293 PolarHBondContact O-N 2.87Å |
| 1105 | R | 80.7 | Confident | 79.5 | Confident | 132 Ų | 132 | 51 Ų | 51 | 50% | 0.498 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.3 | -178.8 | -73.1 | -179.5 | 174.6 | 168.9 | -0.2 | 110.1 | E1258 L1290 | R1105-E1258 IonicContact CZ-OE1 2.84Å; R1105-E1258 IonicContact NH1-OE1 2.68Å; R1105-E1258 PolarHBondContact NH1-OE1 3.38Å; R1105-L1290 HydrophobicContact CB-CD1 4.22Å |
| 1106 | I | 82.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125.7 | 175.3 | -55.3 | 179.3 | 0 | 0 | 0 | 109 | P1090 I1095 L1108 V1291 F1293 F1425 | P1090-I1106 HydrophobicContact CB-CG2 3.84Å; I1095-I1106 HydrophobicContact CB-CD1 4.46Å; I1095-I1106 HydrophobicContact CD1-CD1 3.59Å; I1095-I1106 HydrophobicContact CG1-CD1 3.86Å; I1095-I1106 HydrophobicContact CG2-CD1 3.74Å; I1106-L1108 HydrophobicContact CG2-CD2 3.88Å; I1106-L1108 HydrophobicContact CG2-CG 4.45Å; I1106-V1291 PolarHBondContact N-O 2.99Å; I1106-V1291 PolarHBondContact O-N 2.94Å; I1106-F1293 HydrophobicContact CD1-CE1 3.7Å; I1106-F1293 HydrophobicContact CD1-CZ 4.26Å; I1106-F1293 HydrophobicContact CG1-CE1 4.09Å; I1106-F1425 HydrophobicContact CD1-CE1 4.36Å; I1106-F1425 HydrophobicContact CD1-CZ 3.79Å; I1106-F1425 HydrophobicContact CG2-CZ 4.4Å |
| 1107 | G | 82.7 | Confident | 78.8 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.2 | 166 | 0 | 0 | 0 | 0 | 0 | 109.6 | P1090 S1091 | P1090-G1107 CarbonylContact C-O 3.58Å; S1091-G1107 WeakPolarHBondContact CB-O 3.46Å; S1091-G1107 PolarHBondContact N-O 3.05Å; S1091-G1107 PolarHBondContact OG-N 3.12Å; S1091-G1107 PolarHBondContact OG-O 2.85Å |
| 1108 | L | 81.9 | Confident | 78.7 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.6 | 170.7 | -63.3 | -176.8 | 0 | 0 | 0 | 109.7 | L1088 P1090 I1106 I1117 P1288 I1289 V1291 F1425 | L1088-L1108 HydrophobicContact CD1-CB 4.23Å; P1090-L1108 HydrophobicContact CB-CD2 3.82Å; I1106-L1108 HydrophobicContact CG2-CD2 3.88Å; I1106-L1108 HydrophobicContact CG2-CG 4.45Å; L1108-I1117 HydrophobicContact CD1-CD1 4.35Å; L1108-I1117 HydrophobicContact CD1-CG2 4.47Å; L1108-P1288 CarbonylContact O-C 3.16Å; L1108-P1288 VanDerWaalsContact O-CA 3.29Å; L1108-P1288 WeakPolarHBondContact O-CA 3.46Å; L1108-I1289 PolarHBondContact N-O 2.82Å; L1108-I1289 PolarHBondContact O-N 2.84Å; L1108-V1291 HydrophobicContact CD1-CG2 3.65Å; L1108-V1291 HydrophobicContact CG-CG2 4.09Å; L1108-F1425 HydrophobicContact CD1-CB 4.33Å; L1108-F1425 HydrophobicContact CD1-CD1 3.69Å; L1108-F1425 HydrophobicContact CD1-CE1 4.17Å; L1108-F1425 HydrophobicContact CD1-CG 4.09Å; L1108-F1425 HydrophobicContact CD2-CD1 4Å; L1108-F1425 HydrophobicContact CD2-CD2 4.02Å; L1108-F1425 HydrophobicContact CD2-CE1 3.96Å; L1108-F1425 HydrophobicContact CD2-CE2 3.99Å; L1108-F1425 HydrophobicContact CD2-CG 4.02Å; L1108-F1425 HydrophobicContact CD2-CZ 3.96Å; L1108-F1425 HydrophobicContact CG-CD1 4.43Å |
| 1109 | R | 81.5 | Confident | 78.6 | Confident | 108 Ų | 108 | 56.4 Ų | 56.4 | 41% | 0.408 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.3 | 172.2 | -176.1 | -178.8 | -173.2 | -167.7 | 4.2 | 109.7 | E1089 N1111 | E1089-R1109 PolarHBondContact N-O 2.87Å; E1089-R1109 PolarHBondContact O-N 3.22Å; R1109-N1111 WeakPolarHBondContact CD-OD1 3.38Å; R1109-N1111 PolarHBondContact NE-OD1 2.87Å |
| 1110 | S | 82.9 | Confident | 78.9 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 135.2 | 159.1 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | G1087 I1113 E1115 | G1087-S1110 CarbonylContact O-C 3.59Å; G1087-S1110 VanDerWaalsContact O-CA 3.31Å; G1087-S1110 WeakPolarHBondContact O-CA 3.36Å; S1110-I1113 WeakPolarHBondContact CB-O 3.26Å; S1110-I1113 PolarHBondContact OG-O 3.37Å; S1110-E1115 WeakPolarHBondContact OG-CG 3.21Å |
| 1111 | N | 78.9 | Confident | 79.4 | Confident | 36 Ų | 36 | 56 Ų | 56 | 19% | 0.193 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -99.9 | -7.7 | -176.9 | -74.8 | -37.7 | 0 | 0 | 0 | 113.9 | G975 G1087 E1089 R1109 | G975-N1111 WeakPolarHBondContact CA-ND2 2.96Å; G975-N1111 WeakPolarHBondContact O-CB 3.07Å; G975-N1111 PolarHBondContact O-ND2 2.99Å; G1087-N1111 PolarHBondContact O-N 3.15Å; E1089-N1111 WeakPolarHBondContact CB-ND2 3.41Å; E1089-N1111 PolarHBondContact OE2-ND2 3.49Å; R1109-N1111 WeakPolarHBondContact CD-OD1 3.38Å; R1109-N1111 PolarHBondContact NE-OD1 2.87Å |
| 1112 | F | 77.7 | Confident | 79.8 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 13% | 0.127 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -126.1 | -65.4 | -179 | -53.9 | -46.4 | 0 | 0 | 0 | 113.5 | P951 P973 A976 F1085 Q1285 | P951-F1112 HydrophobicContact CG-CD1 3.83Å; P951-F1112 HydrophobicContact CG-CD2 4.32Å; P951-F1112 HydrophobicContact CG-CE1 3.89Å; P951-F1112 HydrophobicContact CG-CE2 4.35Å; P951-F1112 HydrophobicContact CG-CG 4.08Å; P951-F1112 HydrophobicContact CG-CZ 4.17Å; P973-F1112 HydrophobicContact CB-CE1 3.97Å; P973-F1112 HydrophobicContact CB-CZ 3.83Å; A976-F1112 HydrophobicContact CB-CE2 3.94Å; A976-F1112 HydrophobicContact CB-CZ 3.85Å; F1085-F1112 HydrophobicContact CB-CE2 4.05Å; F1085-F1112 WeakPolarHBondContact O-CD2 3.5Å; F1112-Q1285 PolarHBondContact O-NE2 2.8Å |
| 1113 | I | 77.2 | Confident | 80.4 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.195 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -144.8 | 173.3 | -174.9 | -161.5 | 167.2 | 0 | 0 | 0 | 109.4 | H950 S1110 E1115 | H950-I1113 WeakPolarHBondContact CE1-CG2 3.37Å; H950-I1113 WeakPolarHBondContact NE2-CG2 3.4Å; S1110-I1113 WeakPolarHBondContact CB-O 3.26Å; S1110-I1113 PolarHBondContact OG-O 3.37Å; I1113-E1115 PolarHBondContact O-N 2.83Å |
| 1114 | N | 73.8 | Confident | 80.7 | Confident | 79 Ų | 79 | 43.8 Ų | 43.8 | 42% | 0.422 | 22% | 0.218 | S | C | . | . | trans | -60.4 | 115 | 175.6 | -68.7 | 10.8 | 0 | 0 | 0 | 110.4 | ||||
| 1115 | E | 78.8 | Confident | 80.9 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | trans | -92.4 | 138.6 | 175.4 | -66.4 | -81.5 | -177.5 | 0 | 0 | 108.9 | H950 R1086 G1087 L1088 S1110 I1113 Y1426 | H950-E1115 IonicContact CE1-OE1 3.25Å; R1086-E1115 WeakPolarHBondContact CB-OE1 3.39Å; R1086-E1115 IonicContact CZ-OE2 3.41Å; R1086-E1115 IonicContact NE-OE1 2.93Å; R1086-E1115 PolarHBondContact NE-OE1 2.93Å; R1086-E1115 IonicContact NE-OE2 3.33Å; R1086-E1115 PolarHBondContact NE-OE2 3.31Å; R1086-E1115 IonicContact NH2-OE2 2.8Å; R1086-E1115 PolarHBondContact NH2-OE2 2.77Å; G1087-E1115 PolarHBondContact N-OE1 2.74Å; G1087-E1115 VanDerWaalsContact N-OE1 3.11Å; L1088-E1115 HydrophobicContact CD1-CB 4.39Å; S1110-E1115 WeakPolarHBondContact OG-CG 3.21Å; I1113-E1115 PolarHBondContact O-N 2.83Å; E1115-Y1426 WeakPolarHBondContact OE2-CE1 3.44Å | ||
| 1116 | S | 77.9 | Confident | 81.2 | Confident | 46 Ų | 46 | 38.9 Ų | 38.9 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | trans | -75.1 | 134.2 | 169.3 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | D1427 | S1116-D1427 WeakPolarHBondContact CB-OD2 3.26Å; S1116-D1427 PolarHBondContact O-N 3.12Å; S1116-D1427 PolarHBondContact OG-O 3.04Å; S1116-D1427 VanDerWaalsContact OG-O 3.06Å | ||
| 1117 | I | 80.1 | Confident | 81.4 | Confident | 31 Ų | 31 | 38.9 Ų | 38.9 | 16% | 0.159 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130.4 | -175.7 | 62 | 172.7 | 0 | 0 | 0 | 112.5 | L1088 L1108 I1289 V1291 F1425 | L1088-I1117 HydrophobicContact CD1-CG2 4.25Å; L1088-I1117 HydrophobicContact CD2-CG2 3.77Å; L1108-I1117 HydrophobicContact CD1-CD1 4.35Å; L1108-I1117 HydrophobicContact CD1-CG2 4.47Å; I1117-I1289 HydrophobicContact CD1-CD1 4.42Å; I1117-I1289 HydrophobicContact CD1-CG2 4.31Å; I1117-V1291 HydrophobicContact CD1-CG2 4.46Å; I1117-F1425 VanDerWaalsContact CA-O 3.26Å; I1117-F1425 WeakPolarHBondContact CA-O 3.39Å |
| 1118 | Q | 82.3 | Confident | 81.6 | Confident | 105 Ų | 105 | 39.6 Ų | 39.6 | 49% | 0.491 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 103.2 | 167.7 | 177.7 | 172.6 | -28.4 | 0 | 0 | 106.4 | F1425 D1427 H1432 | Q1118-F1425 PolarHBondContact N-O 2.74Å; Q1118-F1425 CarbonylContact O-C 3.54Å; Q1118-D1427 HydrophobicContact CB-CB 3.88Å; Q1118-H1432 PolarHBondContact O-CE1 3.26Å; Q1118-H1432 PolarHBondContact O-ND1 2.85Å |
| 1119 | P | 82.2 | Confident | 81.9 | Confident | 29 Ų | 29 | 42 Ų | 42 | 19% | 0.188 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 129.2 | 174.9 | 30.8 | -33 | 0 | 0 | 0 | 110.4 | V1291 F1321 G1424 F1425 | P1119-V1291 HydrophobicContact CG-CG1 4.43Å; P1119-F1321 HydrophobicContact CB-CD1 3.82Å; P1119-F1321 HydrophobicContact CB-CE1 3.66Å; P1119-F1321 HydrophobicContact CB-CG 4.42Å; P1119-F1321 HydrophobicContact CB-CZ 4.1Å; P1119-F1321 HydrophobicContact CG-CB 4.26Å; P1119-F1321 HydrophobicContact CG-CD1 3.58Å; P1119-F1321 HydrophobicContact CG-CD2 4.28Å; P1119-F1321 HydrophobicContact CG-CE1 3.93Å; P1119-F1321 HydrophobicContact CG-CG 3.77Å; P1119-F1321 HydrophobicContact CG-CZ 4.4Å; P1119-G1424 VanDerWaalsContact CA-O 3.31Å; P1119-G1424 WeakPolarHBondContact CA-O 3.36Å; P1119-F1425 HydrophobicContact CB-CD1 4.1Å; P1119-F1425 HydrophobicContact CB-CE1 4.45Å |
| 1120 | D | 82.3 | Confident | 82.2 | Confident | 68 Ų | 68 | 37.5 Ų | 37.5 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.7 | 172.1 | -170.5 | 21 | 0 | 0 | 0 | 111 | W1122 I1423 G1424 H1432 | D1120-W1122 HydrophobicContact CB-CE3 4.43Å; D1120-W1122 HydrophobicContact CB-CZ3 3.95Å; D1120-I1423 CarbonylContact O-C 3.55Å; D1120-I1423 VanDerWaalsContact O-CA 3.25Å; D1120-I1423 WeakPolarHBondContact O-CA 3.37Å; D1120-I1423 WeakPolarHBondContact O-CG1 3.27Å; D1120-G1424 PolarHBondContact N-O 3.06Å; D1120-G1424 PolarHBondContact O-N 2.74Å; D1120-H1432 WeakPolarHBondContact CB-NE2 3.23Å; D1120-H1432 IonicContact OD2-NE2 3.97Å |
| 1121 | I | 83.6 | Confident | 82.4 | Confident | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.082 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 108.3 | -171.4 | -63.2 | 168.5 | 0 | 0 | 0 | 110.1 | F1293 F1319 F1321 I1423 F1439 | I1121-F1293 HydrophobicContact CD1-CD2 3.93Å; I1121-F1293 HydrophobicContact CD1-CE2 3.87Å; I1121-F1293 HydrophobicContact CD1-CG 4.5Å; I1121-F1293 HydrophobicContact CD1-CZ 4.38Å; I1121-F1319 HydrophobicContact CB-CD2 3.92Å; I1121-F1319 HydrophobicContact CB-CE2 3.99Å; I1121-F1319 HydrophobicContact CD1-CB 4.22Å; I1121-F1319 HydrophobicContact CD1-CD1 4.04Å; I1121-F1319 HydrophobicContact CD1-CD2 3.87Å; I1121-F1319 HydrophobicContact CD1-CE1 4.37Å; I1121-F1319 HydrophobicContact CD1-CE2 4.22Å; I1121-F1319 HydrophobicContact CD1-CG 3.76Å; I1121-F1319 HydrophobicContact CD1-CZ 4.45Å; I1121-F1319 HydrophobicContact CG1-CD2 4.46Å; I1121-F1319 HydrophobicContact CG2-CD2 4.11Å; I1121-F1319 HydrophobicContact CG2-CE2 3.64Å; I1121-F1319 HydrophobicContact CG2-CZ 4.14Å; I1121-F1321 HydrophobicContact CD1-CE1 3.95Å; I1121-F1321 HydrophobicContact CD1-CZ 3.67Å; I1121-F1321 HydrophobicContact CG1-CE1 4.48Å; I1121-F1321 HydrophobicContact CG1-CZ 3.96Å; I1121-I1423 HydrophobicContact CD1-CD1 3.96Å; I1121-I1423 HydrophobicContact CG1-CB 3.99Å; I1121-I1423 HydrophobicContact CG1-CD1 3.65Å; I1121-I1423 HydrophobicContact CG1-CG1 3.72Å; I1121-F1439 HydrophobicContact CD1-CE2 4.46Å; I1121-F1439 HydrophobicContact CD1-CZ 4.46Å; I1121-F1439 HydrophobicContact CG2-CD1 3.56Å; I1121-F1439 HydrophobicContact CG2-CE1 3.74Å; I1121-F1439 HydrophobicContact CG2-CG 4.08Å; I1121-F1439 HydrophobicContact CG2-CZ 4.4Å |
| 1122 | W | 83.2 | Confident | 82.8 | Confident | 59 Ų | 59 | 43.1 Ų | 43.1 | 22% | 0.223 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 110.5 | 173.4 | 34 | 78.8 | 0 | 0 | 0 | 111.3 | D1120 T1124 G1421 A1422 H1432 T1436 | D1120-W1122 HydrophobicContact CB-CE3 4.43Å; D1120-W1122 HydrophobicContact CB-CZ3 3.95Å; W1122-T1124 HydrophobicContact CB-CG2 4.46Å; W1122-G1421 CarbonylContact O-C 3.48Å; W1122-G1421 WeakPolarHBondContact O-CA 3.13Å; W1122-A1422 VanDerWaalsContact CD1-O 3.28Å; W1122-A1422 PolarHBondContact N-O 2.96Å; W1122-A1422 VanDerWaalsContact N-O 3.08Å; W1122-A1422 PolarHBondContact NE1-O 3.42Å; W1122-A1422 PolarHBondContact O-N 2.73Å; W1122-A1422 VanDerWaalsContact O-N 3.1Å; W1122-H1432 AromaticContact CH2-CD2 3.99Å; W1122-H1432 WeakPolarHBondContact CH2-O 3.19Å; W1122-H1432 AromaticContact CZ3-CD2 3.91Å; W1122-H1432 AromaticContact CZ3-NE2 3.76Å; W1122-T1436 HydrophobicContact CZ2-CG2 3.62Å |
| 1123 | L | 82.2 | Confident | 83.3 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 116.1 | 166.6 | -64.4 | -179 | 0 | 0 | 0 | 109.3 | L1404 Y1409 F1419 F1439 L1441 | L1123-L1404 HydrophobicContact CB-CD1 4.36Å; L1123-Y1409 HydrophobicContact CB-CD1 4.25Å; L1123-Y1409 HydrophobicContact CB-CE1 3.87Å; L1123-Y1409 HydrophobicContact CD1-CD1 4.25Å; L1123-F1419 HydrophobicContact CD1-CB 4.01Å; L1123-F1419 HydrophobicContact CD1-CG 4.42Å; L1123-F1419 HydrophobicContact CD2-CB 3.92Å; L1123-F1419 HydrophobicContact CG-CB 4.41Å; L1123-F1439 HydrophobicContact CD2-CD1 3.72Å; L1123-F1439 HydrophobicContact CD2-CE1 3.93Å; L1123-L1441 HydrophobicContact CD1-CD2 4.23Å |
| 1124 | T | 82.2 | Confident | 83.8 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -30.5 | -171.4 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | W1122 L1404 S1420 | W1122-T1124 HydrophobicContact CB-CG2 4.46Å; T1124-L1404 PolarHBondContact O-N 2.87Å; T1124-S1420 PolarHBondContact N-O 3.41Å; T1124-S1420 PolarHBondContact OG1-O 3.14Å |
| 1125 | H | 85 | Confident | 84.4 | Confident | 37 Ų | 37 | 46.6 Ų | 46.6 | 17% | 0.171 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 133.6 | -176.7 | -62.5 | 81.3 | 0 | 0 | 0 | 111.5 | F1401 L1402 S1420 | H1125-F1401 HydrophobicContact CB-CB 4.1Å; H1125-F1401 HydrophobicContact CB-CD1 4.1Å; H1125-L1402 WeakPolarHBondContact CA-O 3.39Å; H1125-S1420 PolarHBondContact N-O 2.85Å; H1125-S1420 VanDerWaalsContact N-O 3.09Å; H1125-S1420 PolarHBondContact O-N 3.09Å |
| 1126 | W | 85.9 | Confident | 84.9 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 2% | 0.023 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 122.4 | 163.3 | 177.9 | 50.9 | 0 | 0 | 0 | 109.2 | L1128 P1166 F1167 L1402 L1404 Y1412 V1414 S1417 F1419 | W1126-L1128 HydrophobicContact CH2-CD1 4.23Å; W1126-L1128 HydrophobicContact CH2-CD2 4.45Å; W1126-L1128 HydrophobicContact CZ2-CD1 4.09Å; W1126-P1166 HydrophobicContact CE3-CG 4.36Å; W1126-P1166 HydrophobicContact CH2-CG 4.25Å; W1126-P1166 HydrophobicContact CZ3-CG 3.59Å; W1126-F1167 HydrophobicContact CE3-CE1 4.22Å; W1126-L1402 HydrophobicContact CE3-CB 4.35Å; W1126-L1402 HydrophobicContact CE3-CD1 3.53Å; W1126-L1402 HydrophobicContact CE3-CG 4.48Å; W1126-L1402 HydrophobicContact CZ3-CD1 3.57Å; W1126-L1402 PolarHBondContact N-O 2.92Å; W1126-L1402 PolarHBondContact O-N 2.83Å; W1126-L1404 HydrophobicContact CB-CD2 4.09Å; W1126-Y1412 WeakPolarHBondContact CZ2-O 3.42Å; W1126-V1414 HydrophobicContact CH2-CG2 4.15Å; W1126-V1414 HydrophobicContact CZ2-CB 4.23Å; W1126-V1414 HydrophobicContact CZ2-CG2 3.94Å; W1126-S1417 PolarHBondContact NE1-OG 3.26Å; W1126-F1419 HydrophobicContact CB-CD1 3.88Å; W1126-F1419 HydrophobicContact CB-CE1 3.71Å; W1126-F1419 HydrophobicContact CB-CZ 4.49Å; W1126-F1419 AromaticContact CD1-CD1 3.94Å; W1126-F1419 AromaticContact CD1-CE1 3.65Å; W1126-F1419 AromaticContact CD1-CE2 3.94Å; W1126-F1419 AromaticContact CD1-CZ 3.62Å; W1126-F1419 HydrophobicContact CG-CD1 4.24Å; W1126-F1419 AromaticContact CG-CE1 3.83Å; W1126-F1419 HydrophobicContact CG-CE1 3.83Å; W1126-F1419 HydrophobicContact CG-CZ 4.13Å |
| 1127 | C | 87.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 111.6 | -171.8 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | P1129 I1400 F1401 S1417 Y1418 S1420 | C1127-P1129 WeakPolarHBondContact O-CD 3.19Å; C1127-I1400 WeakPolarHBondContact CA-O 3.47Å; C1127-F1401 WeakPolarHBondContact SG-CD1 3.08Å; C1127-F1401 WeakPolarHBondContact SG-CE1 3.42Å; C1127-S1417 WeakPolarHBondContact O-CB 3.1Å; C1127-Y1418 WeakPolarHBondContact CA-O 3.3Å; C1127-Y1418 HydrophobicContact CB-CD1 3.95Å; C1127-Y1418 HydrophobicContact CB-CD2 3.91Å; C1127-Y1418 HydrophobicContact CB-CE1 3.64Å; C1127-Y1418 HydrophobicContact CB-CE2 3.61Å; C1127-Y1418 HydrophobicContact CB-CG 4.08Å; C1127-Y1418 VanDerWaalsContact CB-CZ 3.46Å; C1127-Y1418 VanDerWaalsContact CB-O 3.27Å; C1127-Y1418 WeakPolarHBondContact CB-O 3.48Å; C1127-Y1418 PolarHBondContact N-O 3.42Å; C1127-Y1418 PolarHBondContact O-N 3.28Å; C1127-Y1418 VanDerWaalsContact O-N 3.13Å; C1127-S1420 WeakPolarHBondContact SG-CB 3.3Å |
| 1128 | L | 87.2 | Confident | 85.5 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 13% | 0.131 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 110.4 | 178.4 | -175.6 | 66.9 | 0 | 0 | 0 | 109.8 | W1126 V1130 F1163 I1400 V1414 | W1126-L1128 HydrophobicContact CH2-CD1 4.23Å; W1126-L1128 HydrophobicContact CH2-CD2 4.45Å; W1126-L1128 HydrophobicContact CZ2-CD1 4.09Å; L1128-V1130 HydrophobicContact CD2-CG2 3.91Å; L1128-V1130 HydrophobicContact CG-CG2 3.82Å; L1128-V1130 PolarHBondContact O-N 3.08Å; L1128-F1163 HydrophobicContact CD2-CB 4.13Å; L1128-I1400 PolarHBondContact N-O 2.8Å; L1128-I1400 PolarHBondContact O-N 2.85Å; L1128-V1414 HydrophobicContact CD1-CB 4.47Å |
| 1129 | P | 86.9 | Confident | 85.5 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 116.9 | 172 | -13.7 | 30.2 | 0 | 0 | 0 | 110 | C1127 T1397 I1398 Y1418 | C1127-P1129 WeakPolarHBondContact O-CD 3.19Å; P1129-T1397 HydrophobicContact CB-CG2 3.92Å; P1129-I1398 CarbonylContact C-O 2.98Å; P1129-I1398 WeakPolarHBondContact CA-O 3.43Å; P1129-Y1418 HydrophobicContact CG-CE1 4.49Å |
| 1130 | V | 88.3 | Confident | 85 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 9% | 0.085 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.7 | -176.6 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | L1128 Y1161 R1162 F1163 T1397 I1398 I1400 | L1128-V1130 HydrophobicContact CD2-CG2 3.91Å; L1128-V1130 HydrophobicContact CG-CG2 3.82Å; L1128-V1130 PolarHBondContact O-N 3.08Å; V1130-Y1161 HydrophobicContact CB-CD1 4.48Å; V1130-Y1161 HydrophobicContact CG1-CD1 4.16Å; V1130-Y1161 WeakPolarHBondContact O-CD1 3.49Å; V1130-Y1161 WeakPolarHBondContact O-CE1 3.39Å; V1130-R1162 WeakPolarHBondContact CG1-O 3.36Å; V1130-F1163 HydrophobicContact CG2-CB 4.13Å; V1130-T1397 WeakPolarHBondContact O-CA 3.31Å; V1130-T1397 WeakPolarHBondContact O-CG2 3.43Å; V1130-I1398 HydrophobicContact CB-CD1 4.42Å; V1130-I1398 HydrophobicContact CB-CG1 3.96Å; V1130-I1398 PolarHBondContact N-O 3.48Å; V1130-I1398 PolarHBondContact O-N 2.87Å; V1130-I1400 HydrophobicContact CB-CD1 4.36Å; V1130-I1400 HydrophobicContact CG2-CD1 3.7Å; V1130-I1400 HydrophobicContact CG2-CG1 4.06Å |
| 1131 | K | 87.5 | Confident | 83.9 | Confident | 161 Ų | 161 | 52.7 Ų | 52.7 | 70% | 0.7 | 26% | 0.26 | S | S | * | . | trans | -79 | 150.6 | 173.3 | -74.5 | 175.1 | -179.7 | 176.3 | 0 | 110.6 | H1133 T1397 | K1131-H1133 PolarHBondContact O-N 3.06Å; K1131-T1397 HydrophobicContact CG-CG2 4.17Å; K1131-T1397 WeakPolarHBondContact CG-OG1 3.48Å | ||
| 1132 | P | 88 | Confident | 82.5 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | trans | -69 | 128.6 | 177.8 | 27.7 | -30.6 | 0 | 0 | 0 | 109.7 | D1134 L1159 T1160 Y1161 A1394 E1396 | P1132-D1134 VanDerWaalsContact C-N 3.35Å; P1132-L1159 HydrophobicContact CB-CB 4.28Å; P1132-L1159 HydrophobicContact CB-CD2 4.41Å; P1132-T1160 CarbonylContact C-O 3.58Å; P1132-T1160 WeakPolarHBondContact CA-O 3.44Å; P1132-Y1161 HydrophobicContact CB-CD1 4.12Å; P1132-Y1161 HydrophobicContact CB-CE1 3.74Å; P1132-Y1161 HydrophobicContact CG-CE1 4.2Å; P1132-A1394 WeakPolarHBondContact CG-O 3.41Å; P1132-E1396 WeakPolarHBondContact CD-O 3.27Å | ||
| 1133 | H | 87.5 | Confident | 80.8 | Confident | 122 Ų | 122 | 54.4 Ų | 54.4 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -71.8 | -32.9 | 172.6 | 172.9 | -37.4 | 0 | 0 | 0 | 110.9 | K1131 T1160 R1162 | K1131-H1133 PolarHBondContact O-N 3.06Å; H1133-T1160 PolarHBondContact N-O 3.08Å; H1133-R1162 PolarHBondContact CD2-NE 2.95Å; H1133-R1162 VanDerWaalsContact CD2-NE 3.3Å; H1133-R1162 PolarHBondContact NE2-NE 2.85Å; H1133-R1162 PolarHBondContact NE2-NH2 2.79Å |
| 1134 | D | 87.7 | Confident | 79.1 | Confident | 57 Ų | 57 | 59.6 Ų | 59.6 | 31% | 0.305 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 124.8 | -177.5 | -177.8 | 32.6 | 0 | 0 | 0 | 109.6 | P1132 K1136 T1160 | P1132-D1134 VanDerWaalsContact C-N 3.35Å; D1134-K1136 WeakPolarHBondContact OD1-CE 3.35Å; D1134-K1136 IonicContact OD1-NZ 3.88Å; D1134-K1136 PolarHBondContact OD1-NZ 2.93Å; D1134-K1136 IonicContact OD2-NZ 2.66Å; D1134-K1136 PolarHBondContact OD2-NZ 2.82Å; D1134-T1160 PolarHBondContact N-O 3.36Å; D1134-T1160 PolarHBondContact O-N 3.17Å |
| 1135 | S | 87.1 | Confident | 77.6 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 118.9 | 178.4 | 54 | 0 | 0 | 0 | 0 | 110.4 | R1158 L1159 A1394 | S1135-R1158 WeakPolarHBondContact CA-O 3.41Å; S1135-L1159 VanDerWaalsContact CB-CD2 3.43Å; S1135-A1394 WeakPolarHBondContact CB-O 3.48Å; S1135-A1394 PolarHBondContact OG-O 3.02Å |
| 1136 | K | 87.9 | Confident | 76.2 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 128 | -173.4 | -73.4 | -178.3 | 172 | 108.8 | 0 | 110.9 | D1134 F1138 R1158 | D1134-K1136 WeakPolarHBondContact OD1-CE 3.35Å; D1134-K1136 IonicContact OD1-NZ 3.88Å; D1134-K1136 PolarHBondContact OD1-NZ 2.93Å; D1134-K1136 IonicContact OD2-NZ 2.66Å; D1134-K1136 PolarHBondContact OD2-NZ 2.82Å; K1136-F1138 HydrophobicContact CB-CD2 4.31Å; K1136-F1138 HydrophobicContact CB-CE2 3.5Å; K1136-F1138 HydrophobicContact CB-CZ 3.65Å; K1136-F1138 HydrophobicContact CD-CZ 3.97Å; K1136-F1138 HydrophobicContact CG-CZ 4.44Å; K1136-R1158 PolarHBondContact N-O 2.93Å; K1136-R1158 PolarHBondContact O-N 3.16Å |
| 1137 | I | 86.2 | Confident | 75 | Confident | 60 Ų | 60 | 59 Ų | 59 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 119.4 | 171.9 | -61.1 | 174.4 | 0 | 0 | 0 | 108 | Y1155 A1156 L1157 L1241 K1242 | I1137-Y1155 HydrophobicContact CG2-CD1 4.4Å; I1137-A1156 WeakPolarHBondContact CA-O 3.28Å; I1137-L1157 HydrophobicContact CD1-CD1 4.41Å; I1137-L1157 HydrophobicContact CG1-CB 4.26Å; I1137-L1157 HydrophobicContact CG1-CD1 3.63Å; I1137-L1241 HydrophobicContact CD1-CB 4.09Å; I1137-K1242 HydrophobicContact CD1-CD 4.39Å; I1137-K1242 HydrophobicContact CD1-CG 3.4Å; I1137-K1242 VanDerWaalsContact CD1-CG 3.4Å |
| 1138 | F | 84.2 | Confident | 73.7 | Confident | 82 Ų | 82 | 59.3 Ų | 59.3 | 36% | 0.36 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 142.3 | 172.8 | -58.8 | -84.8 | 0 | 0 | 0 | 109.1 | K1136 Y1155 A1156 R1158 | K1136-F1138 HydrophobicContact CB-CD2 4.31Å; K1136-F1138 HydrophobicContact CB-CE2 3.5Å; K1136-F1138 HydrophobicContact CB-CZ 3.65Å; K1136-F1138 HydrophobicContact CD-CZ 3.97Å; K1136-F1138 HydrophobicContact CG-CZ 4.44Å; F1138-Y1155 CarbonylContact O-C 3.53Å; F1138-Y1155 WeakPolarHBondContact O-CA 3.16Å; F1138-A1156 PolarHBondContact N-O 2.69Å; F1138-A1156 PolarHBondContact O-N 3.38Å; F1138-R1158 HydrophobicContact CD2-CB 4.25Å; F1138-R1158 HydrophobicContact CE2-CB 3.93Å |
| 1139 | Y | 82.4 | Confident | 72.2 | Confident | 106 Ų | 106 | 59.6 Ų | 59.6 | 42% | 0.416 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 123.2 | 158.6 | -173.6 | -132.1 | 0 | 0 | 0 | 107.4 | H1142 S1154 Y1155 | Y1139-H1142 PolarHBondContact OH-CE1 3.03Å; Y1139-H1142 PolarHBondContact OH-ND1 2.99Å; Y1139-S1154 VanDerWaalsContact CD2-O 3.31Å; Y1139-S1154 WeakPolarHBondContact CD2-O 3.47Å; Y1139-Y1155 AromaticContact CD2-CD1 3.72Å; Y1139-Y1155 HydrophobicContact CD2-CD1 3.72Å; Y1139-Y1155 HydrophobicContact CD2-CD2 4.12Å; Y1139-Y1155 AromaticContact CD2-CE1 3.51Å; Y1139-Y1155 HydrophobicContact CD2-CE1 3.51Å; Y1139-Y1155 AromaticContact CD2-CE2 3.94Å; Y1139-Y1155 HydrophobicContact CD2-CE2 3.94Å; Y1139-Y1155 HydrophobicContact CD2-CG 4.02Å; Y1139-Y1155 AromaticContact CD2-CZ 3.62Å; Y1139-Y1155 HydrophobicContact CE2-CD2 4.38Å; Y1139-Y1155 HydrophobicContact CE2-CE1 4.2Å; Y1139-Y1155 AromaticContact CE2-CE2 3.93Å; Y1139-Y1155 HydrophobicContact CE2-CE2 3.93Å; Y1139-Y1155 AromaticContact CE2-CZ 3.82Å; Y1139-Y1155 HydrophobicContact CG-CD1 4.32Å; Y1139-Y1155 HydrophobicContact CG-CE1 4.04Å |
| 1140 | L | 71.9 | Confident | 70.9 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 31% | 0.314 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -27.2 | 179.1 | -60.9 | -175.6 | 0 | 0 | 0 | 111.3 | E1146 S1154 A1156 | L1140-E1146 WeakPolarHBondContact CB-OE2 3.44Å; L1140-S1154 PolarHBondContact N-O 2.75Å; L1140-A1156 HydrophobicContact CD1-CB 3.9Å; L1140-A1156 HydrophobicContact CD2-CB 3.91Å; L1140-A1156 HydrophobicContact CG-CB 3.86Å |
| 1141 | G | 59 | Low | 69.4 | Low | 15 Ų | 15 | 63.2 Ų | 63.2 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 118.6 | -164.7 | 167 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1143 G1153 | G1141-G1143 VanDerWaalsContact C-N 3.31Å; G1141-G1153 WeakPolarHBondContact O-CA 3.31Å |
| 1142 | H | 54.4 | Low | 68.1 | Low | 83 Ų | 83 | 58.6 Ų | 58.6 | 38% | 0.384 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -99 | 50.2 | 160.7 | -70.3 | -3 | 0 | 0 | 0 | 109.2 | Y1139 I1144 N1151 G1153 | Y1139-H1142 PolarHBondContact OH-CE1 3.03Å; Y1139-H1142 PolarHBondContact OH-ND1 2.99Å; H1142-I1144 PolarHBondContact O-N 3.02Å; H1142-N1151 PolarHBondContact CE1-O 2.84Å; H1142-N1151 PolarHBondContact ND1-O 3.48Å; H1142-N1151 PolarHBondContact NE2-O 3.16Å; H1142-G1153 PolarHBondContact CE1-N 3.49Å; H1142-G1153 WeakPolarHBondContact ND1-CA 3.49Å; H1142-G1153 PolarHBondContact ND1-N 3.15Å |
| 1143 | G | 47.4 | Very low | 67.1 | Low | 29 Ų | 29 | 58.1 Ų | 58.1 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | trans | -59.3 | 132.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G1141 N1145 E1146 | G1141-G1143 VanDerWaalsContact C-N 3.31Å; G1143-N1145 PolarHBondContact O-N 2.74Å; G1143-E1146 PolarHBondContact O-N 2.84Å | ||
| 1144 | I | 47.2 | Very low | 66.7 | Low | 123 Ų | 123 | 52.5 Ų | 52.5 | 63% | 0.631 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13.5 | -178.4 | -63.4 | 175.6 | 0 | 0 | 0 | 111.4 | R397 H1142 | R397-I1144 PolarHBondContact NH1-O 3.04Å; R397-I1144 PolarHBondContact NH2-O 2.93Å; H1142-I1144 PolarHBondContact O-N 3.02Å |
| 1145 | N | 49.7 | Very low | 66.5 | Low | 23 Ų | 23 | 52 Ų | 52 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 12.5 | 179.1 | -45.3 | -61.7 | 0 | 0 | 0 | 114 | F313 D314 G1143 | F313-N1145 WeakPolarHBondContact CB-ND2 3.27Å; F313-N1145 WeakPolarHBondContact CD1-OD1 3.47Å; D314-N1145 PolarHBondContact OD1-ND2 2.98Å; D314-N1145 PolarHBondContact OD2-ND2 2.9Å; G1143-N1145 PolarHBondContact O-N 2.74Å |
| 1146 | E | 56.3 | Low | 66.4 | Low | 59 Ų | 59 | 50.1 Ų | 50.1 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -100.8 | 127.3 | -176.8 | -64 | -157.3 | 149.3 | 0 | 0 | 113.9 | R397 L1140 G1143 L1148 | R397-E1146 PolarHBondContact NH1-O 3.32Å; L1140-E1146 WeakPolarHBondContact CB-OE2 3.44Å; G1143-E1146 PolarHBondContact O-N 2.84Å; E1146-L1148 VanDerWaalsContact C-N 3.31Å; E1146-L1148 PolarHBondContact O-N 2.83Å |
| 1147 | L | 60 | Low | 66.4 | Low | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 38.9 | -49.9 | 157.4 | -61.2 | 170.8 | 0 | 0 | 0 | 121.6 | I390 L393 I1190 | I390-L1147 HydrophobicContact CB-CD2 4.22Å; I390-L1147 HydrophobicContact CD1-CD2 4.3Å; I390-L1147 HydrophobicContact CG1-CD2 3.82Å; L393-L1147 CarbonylContact C-O 3.5Å; L393-L1147 HydrophobicContact CB-CB 4.44Å; L393-L1147 HydrophobicContact CB-CD2 3.81Å; L393-L1147 HydrophobicContact CD1-CD2 4.09Å; L393-L1147 VanDerWaalsContact O-O 3.11Å; L1147-I1190 HydrophobicContact CD1-CD1 3.94Å; L1147-I1190 HydrophobicContact CD2-CD1 4.07Å |
| 1148 | L | 61.2 | Low | 66.5 | Low | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | trans | -129.1 | 130.3 | -160.2 | -65.2 | 177.5 | 0 | 0 | 0 | 113.8 | L393 Y426 E1146 N1150 C1152 E1236 | L393-L1148 HydrophobicContact CD2-CD2 4.07Å; Y426-L1148 HydrophobicContact CD1-CD2 4.15Å; Y426-L1148 HydrophobicContact CD2-CD2 4.43Å; Y426-L1148 HydrophobicContact CE1-CD2 3.63Å; Y426-L1148 HydrophobicContact CE2-CD2 3.94Å; E1146-L1148 VanDerWaalsContact C-N 3.31Å; E1146-L1148 PolarHBondContact O-N 2.83Å; L1148-N1150 PolarHBondContact O-N 3.45Å; L1148-C1152 HydrophobicContact CD1-CB 4.16Å; L1148-E1236 HydrophobicContact CD1-CG 3.36Å; L1148-E1236 WeakPolarHBondContact CD1-OE1 3.45Å | ||
| 1149 | P | 56 | Low | 66.8 | Low | 32 Ų | 32 | 43.1 Ų | 43.1 | 21% | 0.208 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 0.7 | -175.1 | 31.1 | -37.9 | 0 | 0 | 0 | 114.8 | R397 I400 | R397-P1149 HydrophobicContact CG-CB 4.42Å; I400-P1149 HydrophobicContact CD1-CB 4.2Å; I400-P1149 HydrophobicContact CD1-CG 3.94Å |
| 1150 | N | 59.3 | Low | 67.3 | Low | 48 Ų | 48 | 38.8 Ų | 38.8 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 1.2 | -175.7 | -59.4 | -36.5 | 0 | 0 | 0 | 113.7 | R429 L1148 C1152 | R429-N1150 PolarHBondContact NH2-ND2 2.85Å; R429-N1150 PolarHBondContact NH2-OD1 2.86Å; L1148-N1150 PolarHBondContact O-N 3.45Å; N1150-C1152 HydrophobicContact CB-CB 4.33Å; N1150-C1152 WeakPolarHBondContact CB-SG 3.19Å; N1150-C1152 PolarHBondContact O-N 3.32Å |
| 1151 | N | 57.7 | Low | 68.3 | Low | 96 Ų | 96 | 35.9 Ų | 35.9 | 51% | 0.513 | 20% | 0.195 | S | C | . | . | trans | 58.4 | 15.4 | -159 | -56.1 | -72.7 | 0 | 0 | 0 | 114.3 | H1142 G1153 | H1142-N1151 PolarHBondContact CE1-O 2.84Å; H1142-N1151 PolarHBondContact ND1-O 3.48Å; H1142-N1151 PolarHBondContact NE2-O 3.16Å; N1151-G1153 PolarHBondContact O-N 2.85Å | ||
| 1152 | C | 60.2 | Low | 69.9 | Low | 63 Ų | 63 | 42.8 Ų | 42.8 | 43% | 0.426 | 22% | 0.216 | S | C | . | . | trans | -69.9 | 114.1 | 171.8 | -63.7 | 0 | 0 | 0 | 0 | 109 | L1148 N1150 | L1148-C1152 HydrophobicContact CD1-CB 4.16Å; N1150-C1152 HydrophobicContact CB-CB 4.33Å; N1150-C1152 WeakPolarHBondContact CB-SG 3.19Å; N1150-C1152 PolarHBondContact O-N 3.32Å | ||
| 1153 | G | 66.3 | Low | 71.6 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | trans | -66.8 | 163.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1141 H1142 N1151 | G1141-G1153 WeakPolarHBondContact O-CA 3.31Å; H1142-G1153 PolarHBondContact CE1-N 3.49Å; H1142-G1153 WeakPolarHBondContact ND1-CA 3.49Å; H1142-G1153 PolarHBondContact ND1-N 3.15Å; N1151-G1153 PolarHBondContact O-N 2.85Å | ||
| 1154 | S | 77.9 | Confident | 73.5 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 146.7 | 179.6 | 71.8 | 0 | 0 | 0 | 0 | 112.2 | Y1139 L1140 | Y1139-S1154 VanDerWaalsContact CD2-O 3.31Å; Y1139-S1154 WeakPolarHBondContact CD2-O 3.47Å; L1140-S1154 PolarHBondContact N-O 2.75Å |
| 1155 | Y | 83.4 | Confident | 75.4 | Confident | 47 Ų | 47 | 35.5 Ų | 35.5 | 18% | 0.184 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 145.5 | 170.9 | -60.5 | -97.4 | 0 | 0 | 0 | 108.9 | I1137 F1138 Y1139 C1234 H1235 E1236 L1241 | I1137-Y1155 HydrophobicContact CG2-CD1 4.4Å; F1138-Y1155 CarbonylContact O-C 3.53Å; F1138-Y1155 WeakPolarHBondContact O-CA 3.16Å; Y1139-Y1155 AromaticContact CD2-CD1 3.72Å; Y1139-Y1155 HydrophobicContact CD2-CD1 3.72Å; Y1139-Y1155 HydrophobicContact CD2-CD2 4.12Å; Y1139-Y1155 AromaticContact CD2-CE1 3.51Å; Y1139-Y1155 HydrophobicContact CD2-CE1 3.51Å; Y1139-Y1155 AromaticContact CD2-CE2 3.94Å; Y1139-Y1155 HydrophobicContact CD2-CE2 3.94Å; Y1139-Y1155 HydrophobicContact CD2-CG 4.02Å; Y1139-Y1155 AromaticContact CD2-CZ 3.62Å; Y1139-Y1155 HydrophobicContact CE2-CD2 4.38Å; Y1139-Y1155 HydrophobicContact CE2-CE1 4.2Å; Y1139-Y1155 AromaticContact CE2-CE2 3.93Å; Y1139-Y1155 HydrophobicContact CE2-CE2 3.93Å; Y1139-Y1155 AromaticContact CE2-CZ 3.82Å; Y1139-Y1155 HydrophobicContact CG-CD1 4.32Å; Y1139-Y1155 HydrophobicContact CG-CE1 4.04Å; Y1155-C1234 CarbonylContact O-C 3.57Å; Y1155-C1234 VanDerWaalsContact O-CA 3.24Å; Y1155-C1234 WeakPolarHBondContact O-CA 3.31Å; Y1155-H1235 PolarHBondContact N-O 2.84Å; Y1155-H1235 PolarHBondContact O-N 3.3Å; Y1155-E1236 VanDerWaalsContact CD2-O 3.24Å; Y1155-E1236 WeakPolarHBondContact CD2-O 3.26Å; Y1155-E1236 VanDerWaalsContact CE2-O 3.25Å; Y1155-E1236 WeakPolarHBondContact CE2-O 3.42Å; Y1155-L1241 WeakPolarHBondContact O-CD1 3.49Å |
| 1156 | A | 85.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 115.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I1137 F1138 L1140 Q1232 I1233 C1234 | I1137-A1156 WeakPolarHBondContact CA-O 3.28Å; F1138-A1156 PolarHBondContact N-O 2.69Å; F1138-A1156 PolarHBondContact O-N 3.38Å; L1140-A1156 HydrophobicContact CD1-CB 3.9Å; L1140-A1156 HydrophobicContact CD2-CB 3.91Å; L1140-A1156 HydrophobicContact CG-CB 3.86Å; A1156-Q1232 HydrophobicContact CB-CG 4.05Å; A1156-I1233 CarbonylContact C-O 3.57Å; A1156-I1233 WeakPolarHBondContact CA-O 3.48Å; A1156-C1234 VanDerWaalsContact CB-SG 3.57Å |
| 1157 | L | 88.2 | Confident | 78.1 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 116.9 | 164.7 | 175.3 | 64.8 | 0 | 0 | 0 | 107.7 | I1137 L1159 Q1232 I1233 L1241 V1392 | I1137-L1157 HydrophobicContact CD1-CD1 4.41Å; I1137-L1157 HydrophobicContact CG1-CB 4.26Å; I1137-L1157 HydrophobicContact CG1-CD1 3.63Å; L1157-L1159 HydrophobicContact CD1-CD2 3.82Å; L1157-L1159 HydrophobicContact CD2-CD1 4.35Å; L1157-L1159 HydrophobicContact CD2-CD2 4.04Å; L1157-L1159 HydrophobicContact CD2-CG 4.26Å; L1157-L1159 HydrophobicContact CG-CD2 3.84Å; L1157-L1159 HydrophobicContact CG-CG 4.07Å; L1157-Q1232 WeakPolarHBondContact O-CA 3.47Å; L1157-I1233 PolarHBondContact N-O 3.18Å; L1157-I1233 PolarHBondContact O-N 3.08Å; L1157-L1241 HydrophobicContact CB-CB 4.24Å; L1157-L1241 HydrophobicContact CB-CD1 4.29Å; L1157-L1241 HydrophobicContact CB-CD2 4.17Å; L1157-L1241 HydrophobicContact CB-CG 4.47Å; L1157-V1392 HydrophobicContact CD2-CG1 3.56Å |
| 1158 | R | 89.5 | Confident | 79.1 | Confident | 92 Ų | 92 | 35.9 Ų | 35.9 | 35% | 0.347 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.6 | 169.8 | -177.1 | 172.2 | -70.5 | 153.4 | 3.1 | 109.2 | S1135 K1136 F1138 I1230 A1231 | S1135-R1158 WeakPolarHBondContact CA-O 3.41Å; K1136-R1158 PolarHBondContact N-O 2.93Å; K1136-R1158 PolarHBondContact O-N 3.16Å; F1138-R1158 HydrophobicContact CD2-CB 4.25Å; F1138-R1158 HydrophobicContact CE2-CB 3.93Å; R1158-I1230 HydrophobicContact CG-CG2 3.57Å; R1158-A1231 WeakPolarHBondContact CA-O 3.36Å |
| 1159 | L | 90.5 | Very high | 79.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.6 | 173.7 | -56.8 | 179.6 | 0 | 0 | 0 | 108.1 | P1132 S1135 L1157 Y1161 I1230 A1231 I1233 E1396 | P1132-L1159 HydrophobicContact CB-CB 4.28Å; P1132-L1159 HydrophobicContact CB-CD2 4.41Å; S1135-L1159 VanDerWaalsContact CB-CD2 3.43Å; L1157-L1159 HydrophobicContact CD1-CD2 3.82Å; L1157-L1159 HydrophobicContact CD2-CD1 4.35Å; L1157-L1159 HydrophobicContact CD2-CD2 4.04Å; L1157-L1159 HydrophobicContact CD2-CG 4.26Å; L1157-L1159 HydrophobicContact CG-CD2 3.84Å; L1157-L1159 HydrophobicContact CG-CG 4.07Å; L1159-Y1161 HydrophobicContact CB-CE2 3.6Å; L1159-Y1161 VanDerWaalsContact CD1-OH 3.25Å; L1159-Y1161 WeakPolarHBondContact CD1-OH 3.18Å; L1159-I1230 WeakPolarHBondContact O-CA 3.03Å; L1159-A1231 HydrophobicContact CB-CB 4.42Å; L1159-A1231 PolarHBondContact N-O 2.83Å; L1159-A1231 PolarHBondContact O-N 3.06Å; L1159-I1233 HydrophobicContact CD1-CD1 4.19Å; L1159-E1396 HydrophobicContact CD1-CB 4.19Å |
| 1160 | T | 92.3 | Very high | 80.7 | Confident | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.8 | 179.4 | -51.9 | 0 | 0 | 0 | 0 | 109.6 | P1132 H1133 D1134 K1228 V1229 I1230 | P1132-T1160 CarbonylContact C-O 3.58Å; P1132-T1160 WeakPolarHBondContact CA-O 3.44Å; H1133-T1160 PolarHBondContact N-O 3.08Å; D1134-T1160 PolarHBondContact N-O 3.36Å; D1134-T1160 PolarHBondContact O-N 3.17Å; T1160-K1228 HydrophobicContact CG2-CD 4.45Å; T1160-K1228 HydrophobicContact CG2-CG 4.09Å; T1160-V1229 WeakPolarHBondContact CA-O 3.08Å; T1160-I1230 HydrophobicContact CG2-CG1 4.48Å |
| 1161 | Y | 92.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 151.7 | 177.7 | -50.7 | -95.7 | 0 | 0 | 0 | 109.5 | V1130 P1132 L1159 K1228 V1229 A1231 E1396 I1398 | V1130-Y1161 HydrophobicContact CB-CD1 4.48Å; V1130-Y1161 HydrophobicContact CG1-CD1 4.16Å; V1130-Y1161 WeakPolarHBondContact O-CD1 3.49Å; V1130-Y1161 WeakPolarHBondContact O-CE1 3.39Å; P1132-Y1161 HydrophobicContact CB-CD1 4.12Å; P1132-Y1161 HydrophobicContact CB-CE1 3.74Å; P1132-Y1161 HydrophobicContact CG-CE1 4.2Å; L1159-Y1161 HydrophobicContact CB-CE2 3.6Å; L1159-Y1161 VanDerWaalsContact CD1-OH 3.25Å; L1159-Y1161 WeakPolarHBondContact CD1-OH 3.18Å; Y1161-K1228 WeakPolarHBondContact O-CA 3.44Å; Y1161-V1229 HydrophobicContact CD2-CB 4.26Å; Y1161-V1229 PolarHBondContact N-O 3.08Å; Y1161-V1229 PolarHBondContact O-N 2.76Å; Y1161-A1231 HydrophobicContact CE2-CB 4.19Å; Y1161-E1396 WeakPolarHBondContact CE1-O 3.32Å; Y1161-E1396 PolarHBondContact OH-O 3.11Å; Y1161-I1398 HydrophobicContact CD1-CD1 3.75Å; Y1161-I1398 HydrophobicContact CD1-CG1 3.64Å; Y1161-I1398 HydrophobicContact CD2-CD1 3.8Å; Y1161-I1398 HydrophobicContact CD2-CG1 4.42Å; Y1161-I1398 HydrophobicContact CE1-CB 4.34Å; Y1161-I1398 HydrophobicContact CE1-CD1 4.22Å; Y1161-I1398 HydrophobicContact CE1-CG1 3.79Å; Y1161-I1398 HydrophobicContact CE1-CG2 3.99Å; Y1161-I1398 HydrophobicContact CE2-CD1 4.28Å; Y1161-I1398 HydrophobicContact CE2-CG2 3.96Å; Y1161-I1398 HydrophobicContact CG-CD1 3.52Å; Y1161-I1398 HydrophobicContact CG-CG1 3.98Å |
| 1162 | R | 91.8 | Very high | 83.2 | Confident | 160 Ų | 160 | 32.8 Ų | 32.8 | 60% | 0.604 | 17% | 0.173 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 140.2 | 170.2 | -57.2 | -168.8 | -164.6 | -167.4 | 7 | 108.7 | V1130 H1133 Y1227 | V1130-R1162 WeakPolarHBondContact CG1-O 3.36Å; H1133-R1162 PolarHBondContact CD2-NE 2.95Å; H1133-R1162 VanDerWaalsContact CD2-NE 3.3Å; H1133-R1162 PolarHBondContact NE2-NE 2.85Å; H1133-R1162 PolarHBondContact NE2-NH2 2.79Å; R1162-Y1227 WeakPolarHBondContact CA-O 3.36Å |
| 1163 | F | 90.5 | Very high | 84.5 | Confident | 12 Ų | 12 | 30.8 Ų | 30.8 | 5% | 0.053 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 154.8 | 175.2 | 73.8 | -78.8 | 0 | 0 | 0 | 110.9 | L1128 V1130 C1165 L1222 D1226 Y1227 V1229 I1400 L1402 | L1128-F1163 HydrophobicContact CD2-CB 4.13Å; V1130-F1163 HydrophobicContact CG2-CB 4.13Å; F1163-C1165 HydrophobicContact CE2-CB 4.33Å; F1163-L1222 HydrophobicContact CE2-CD1 4.18Å; F1163-L1222 HydrophobicContact CZ-CD1 3.78Å; F1163-D1226 WeakPolarHBondContact O-CA 3.45Å; F1163-Y1227 HydrophobicContact CE1-CG 4.46Å; F1163-Y1227 HydrophobicContact CE2-CD2 4.21Å; F1163-Y1227 HydrophobicContact CZ-CD2 4.12Å; F1163-Y1227 HydrophobicContact CZ-CG 4.17Å; F1163-Y1227 PolarHBondContact N-O 2.8Å; F1163-Y1227 PolarHBondContact O-N 3.36Å; F1163-V1229 HydrophobicContact CD1-CG2 4.17Å; F1163-V1229 HydrophobicContact CE1-CG2 3.76Å; F1163-I1400 HydrophobicContact CB-CD1 4.22Å; F1163-I1400 HydrophobicContact CD1-CD1 3.31Å; F1163-I1400 HydrophobicContact CD2-CD1 4.02Å; F1163-I1400 HydrophobicContact CE1-CD1 3.52Å; F1163-I1400 HydrophobicContact CE2-CD1 4.2Å; F1163-I1400 HydrophobicContact CE2-CG2 4.16Å; F1163-I1400 HydrophobicContact CG-CD1 3.58Å; F1163-I1400 HydrophobicContact CZ-CD1 3.96Å; F1163-I1400 HydrophobicContact CZ-CG2 4.23Å; F1163-L1402 HydrophobicContact CE2-CD2 4.24Å |
| 1164 | S | 87.4 | Confident | 85.5 | Confident | 68 Ų | 68 | 30.7 Ų | 30.7 | 48% | 0.476 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.9 | 173.8 | -52.6 | 0 | 0 | 0 | 0 | 109.1 | P1166 D1226 | S1164-P1166 WeakPolarHBondContact O-CD 3.39Å; S1164-D1226 WeakPolarHBondContact CB-OD1 3.39Å; S1164-D1226 PolarHBondContact OG-OD1 3.01Å |
| 1165 | C | 86.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 113.8 | 170.1 | -162.1 | 0 | 0 | 0 | 0 | 108.2 | F1163 F1167 Q1223 K1224 G1225 Y1227 | F1163-C1165 HydrophobicContact CE2-CB 4.33Å; C1165-F1167 PolarHBondContact SG-O 2.65Å; C1165-Q1223 WeakPolarHBondContact CB-O 3Å; C1165-K1224 VanDerWaalsContact O-CA 3.3Å; C1165-K1224 WeakPolarHBondContact O-CA 3.28Å; C1165-G1225 PolarHBondContact N-O 3.45Å; C1165-G1225 PolarHBondContact O-N 3.36Å; C1165-Y1227 HydrophobicContact CB-CD2 3.93Å; C1165-Y1227 HydrophobicContact CB-CE2 3.68Å |
| 1166 | P | 80.6 | Confident | 85.6 | Confident | 28 Ų | 28 | 29.2 Ų | 29.2 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | trans | -82.2 | -14.9 | -171.2 | 28.4 | -30.3 | 0 | 0 | 0 | 114 | W1126 S1164 K1224 Y1412 | W1126-P1166 HydrophobicContact CE3-CG 4.36Å; W1126-P1166 HydrophobicContact CH2-CG 4.25Å; W1126-P1166 HydrophobicContact CZ3-CG 3.59Å; S1164-P1166 WeakPolarHBondContact O-CD 3.39Å; P1166-K1224 VanDerWaalsContact O-CD 3.25Å; P1166-K1224 WeakPolarHBondContact O-CD 3.42Å; P1166-K1224 WeakPolarHBondContact O-CE 3.47Å; P1166-K1224 WeakPolarHBondContact O-CG 3.49Å; P1166-Y1412 HydrophobicContact CB-CD1 3.94Å; P1166-Y1412 HydrophobicContact CB-CG 4.08Å; P1166-Y1412 HydrophobicContact CG-CG 4.24Å | ||
| 1167 | F | 81.9 | Confident | 85 | Confident | 25 Ų | 25 | 32 Ų | 32 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -143 | 170.4 | 176.6 | 54.4 | -92.9 | 0 | 0 | 0 | 110.8 | W1126 C1165 T1169 L1402 L1404 Y1412 | W1126-F1167 HydrophobicContact CE3-CE1 4.22Å; C1165-F1167 PolarHBondContact SG-O 2.65Å; F1167-T1169 HydrophobicContact CD2-CG2 4.04Å; F1167-T1169 HydrophobicContact CE2-CG2 3.71Å; F1167-L1402 HydrophobicContact CZ-CB 4.47Å; F1167-L1404 HydrophobicContact CE2-CD2 4.38Å; F1167-L1404 HydrophobicContact CZ-CD2 3.82Å; F1167-Y1412 AromaticContact CD1-CD2 3.59Å; F1167-Y1412 HydrophobicContact CD1-CD2 3.59Å; F1167-Y1412 AromaticContact CD1-CE2 3.93Å; F1167-Y1412 HydrophobicContact CD1-CE2 3.93Å; F1167-Y1412 HydrophobicContact CD1-CG 4.13Å; F1167-Y1412 HydrophobicContact CE1-CD2 4.04Å |
| 1168 | K | 81.3 | Confident | 84.1 | Confident | 46 Ų | 46 | 39.9 Ų | 39.9 | 20% | 0.2 | 20% | 0.2 | C | C | . | . | trans | -74.8 | 121.7 | 175.7 | 173 | 176 | -178 | 173.1 | 0 | 110.2 | L1222 Q1223 L1786 M1787 N1788 | K1168-L1222 WeakPolarHBondContact CA-O 3.22Å; K1168-Q1223 VanDerWaalsContact CD-OE1 3.28Å; K1168-L1786 PolarHBondContact NZ-O 2.97Å; K1168-M1787 WeakPolarHBondContact CE-O 3.41Å; K1168-M1787 PolarHBondContact NZ-O 2.97Å; K1168-N1788 PolarHBondContact NZ-O 3.38Å | ||
| 1169 | T | 78.9 | Confident | 83.4 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 142.1 | 179.8 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | F1167 T1172 L1222 L1402 | F1167-T1169 HydrophobicContact CD2-CG2 4.04Å; F1167-T1169 HydrophobicContact CE2-CG2 3.71Å; T1169-T1172 PolarHBondContact OG1-OG1 2.88Å; T1169-L1222 PolarHBondContact N-O 3.09Å; T1169-L1222 PolarHBondContact O-N 3.02Å; T1169-L1222 WeakPolarHBondContact OG1-CB 3.44Å; T1169-L1222 PolarHBondContact OG1-N 3.4Å; T1169-L1222 PolarHBondContact OG1-O 3.45Å; T1169-L1402 HydrophobicContact CG2-CB 4Å; T1169-L1402 HydrophobicContact CG2-CD2 4.13Å |
| 1170 | A | 73.3 | Confident | 82.6 | Confident | 57 Ų | 57 | 36.8 Ų | 36.8 | 47% | 0.471 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -13 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1221 | A1170-N1221 PolarHBondContact O-OD1 2.89Å |
| 1171 | T | 82 | Confident | 81.7 | Confident | 56 Ų | 56 | 37.9 Ų | 37.9 | 34% | 0.344 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 92.1 | 174.6 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | G1403 | T1171-G1403 VanDerWaalsContact O-CA 3.26Å; T1171-G1403 WeakPolarHBondContact O-CA 3.28Å; T1171-G1403 PolarHBondContact O-N 2.81Å |
| 1172 | T | 86.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 131.7 | 163.5 | -64.6 | 0 | 0 | 0 | 0 | 110 | T1169 I1174 T1219 F1220 L1222 I1400 F1401 L1402 | T1169-T1172 PolarHBondContact OG1-OG1 2.88Å; T1172-I1174 HydrophobicContact CG2-CG1 4.5Å; T1172-T1219 CarbonylContact O-C 3.59Å; T1172-T1219 WeakPolarHBondContact O-CA 3.48Å; T1172-F1220 WeakPolarHBondContact CB-O 3.3Å; T1172-F1220 PolarHBondContact N-O 2.78Å; T1172-F1220 PolarHBondContact O-N 2.96Å; T1172-L1222 HydrophobicContact CG2-CD1 3.77Å; T1172-L1222 HydrophobicContact CG2-CG 4.46Å; T1172-I1400 HydrophobicContact CG2-CG2 3.93Å; T1172-F1401 CarbonylContact C-O 3.42Å; T1172-F1401 WeakPolarHBondContact CA-O 3.39Å; T1172-L1402 HydrophobicContact CG2-CD2 3.78Å; T1172-L1402 WeakPolarHBondContact OG1-CD2 3.26Å |
| 1173 | I | 87.2 | Confident | 80.6 | Confident | 22 Ų | 22 | 31.2 Ų | 31.2 | 11% | 0.113 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.1 | 171.8 | -50.4 | 150 | 0 | 0 | 0 | 107.9 | P1216 T1219 F1401 | I1173-P1216 HydrophobicContact CD1-CG 3.72Å; I1173-P1216 HydrophobicContact CG1-CG 3.96Å; I1173-P1216 HydrophobicContact CG2-CB 4.43Å; I1173-T1219 HydrophobicContact CG1-CG2 4.28Å; I1173-F1401 HydrophobicContact CB-CB 4.18Å; I1173-F1401 HydrophobicContact CD1-CB 4.48Å; I1173-F1401 PolarHBondContact N-O 3.28Å; I1173-F1401 PolarHBondContact O-N 3.09Å |
| 1174 | I | 88.2 | Confident | 80.2 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119.1 | 174.2 | -61.8 | -178.1 | 0 | 0 | 0 | 108.3 | T1172 F1193 I1195 V1229 I1398 I1400 | T1172-I1174 HydrophobicContact CG2-CG1 4.5Å; I1174-F1193 HydrophobicContact CB-CD2 4.49Å; I1174-F1193 HydrophobicContact CB-CE2 3.9Å; I1174-F1193 HydrophobicContact CB-CZ 3.94Å; I1174-F1193 HydrophobicContact CD1-CD2 4.36Å; I1174-F1193 HydrophobicContact CD1-CE2 4.1Å; I1174-F1193 HydrophobicContact CG1-CE2 4.44Å; I1174-F1193 HydrophobicContact CG2-CD2 4.38Å; I1174-F1193 HydrophobicContact CG2-CE2 4.26Å; I1174-F1193 HydrophobicContact CG2-CZ 4.38Å; I1174-I1195 HydrophobicContact CD1-CD1 3.46Å; I1174-I1195 VanDerWaalsContact CD1-CD1 3.46Å; I1174-I1195 HydrophobicContact CD1-CG1 3.66Å; I1174-I1195 HydrophobicContact CG1-CD1 4.39Å; I1174-V1229 HydrophobicContact CD1-CG1 3.99Å; I1174-V1229 HydrophobicContact CD1-CG2 3.71Å; I1174-V1229 HydrophobicContact CG2-CG1 4.48Å; I1174-I1398 HydrophobicContact CG2-CD1 4.18Å; I1174-I1400 HydrophobicContact CG1-CG2 4.47Å |
| 1175 | S | 82.4 | Confident | 79.9 | Confident | 16 Ų | 16 | 27.7 Ų | 27.7 | 11% | 0.112 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.5 | 179.5 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | P1177 Q1180 I1398 S1399 | S1175-P1177 WeakPolarHBondContact O-CD 3.33Å; S1175-Q1180 PolarHBondContact OG-OE1 3.4Å; S1175-I1398 WeakPolarHBondContact O-CA 3.34Å; S1175-I1398 WeakPolarHBondContact O-CB 3.46Å; S1175-S1399 PolarHBondContact N-O 2.86Å; S1175-S1399 PolarHBondContact O-N 3.1Å; S1175-S1399 VanDerWaalsContact O-N 3.12Å |
| 1176 | L | 80.8 | Confident | 79.6 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | trans | -107.6 | 88.5 | 166.5 | -77.5 | 158.8 | 0 | 0 | 0 | 107.2 | W1178 L1179 Q1180 F1193 A1231 I1398 | L1176-W1178 PolarHBondContact O-N 3.34Å; L1176-L1179 HydrophobicContact CB-CB 4.26Å; L1176-L1179 PolarHBondContact O-N 2.98Å; L1176-Q1180 WeakPolarHBondContact O-CB 3.31Å; L1176-Q1180 PolarHBondContact O-N 2.83Å; L1176-F1193 HydrophobicContact CD1-CB 4.47Å; L1176-F1193 HydrophobicContact CD1-CD1 3.86Å; L1176-A1231 HydrophobicContact CD2-CB 4.48Å; L1176-I1398 HydrophobicContact CD2-CG2 3.6Å; L1176-I1398 HydrophobicContact CG-CG2 4.16Å | ||
| 1177 | P | 72.2 | Confident | 79.5 | Confident | 60 Ų | 60 | 28.4 Ų | 28.4 | 39% | 0.39 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -10.1 | -158.5 | -25.7 | 36.4 | 0 | 0 | 0 | 116.5 | S1175 | S1175-P1177 WeakPolarHBondContact O-CD 3.33Š|
| 1178 | W | 69.7 | Low | 79.4 | Confident | 166 Ų | 166 | 27.4 Ų | 27.4 | 63% | 0.629 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 0.7 | 178.9 | -56.9 | 97 | 0 | 0 | 0 | 113.7 | L1176 M1182 P1389 | L1176-W1178 PolarHBondContact O-N 3.34Å; W1178-M1182 WeakPolarHBondContact O-CE 3.38Å; W1178-P1389 HydrophobicContact CB-CG 4.44Å |
| 1179 | L | 74.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | -32.4 | -171.4 | -62.8 | 172.8 | 0 | 0 | 0 | 113.8 | L1176 D1181 M1182 Y1188 H1191 I1233 V1392 | L1176-L1179 HydrophobicContact CB-CB 4.26Å; L1176-L1179 PolarHBondContact O-N 2.98Å; L1179-D1181 PolarHBondContact O-N 3.42Å; L1179-M1182 PolarHBondContact O-N 3.28Å; L1179-Y1188 HydrophobicContact CD2-CD2 3.57Å; L1179-Y1188 HydrophobicContact CD2-CE2 4Å; L1179-Y1188 HydrophobicContact CD2-CG 4.47Å; L1179-H1191 HydrophobicContact CB-CB 4.43Å; L1179-H1191 HydrophobicContact CD1-CB 4.09Å; L1179-H1191 PolarHBondContact O-NE2 2.99Å; L1179-I1233 HydrophobicContact CD1-CD1 3.59Å; L1179-I1233 HydrophobicContact CD1-CG1 4.01Å; L1179-V1392 HydrophobicContact CD1-CG2 4.19Å; L1179-V1392 HydrophobicContact CD2-CG2 4.32Å |
| 1180 | Q | 74.2 | Confident | 78.9 | Confident | 28 Ų | 28 | 25.5 Ų | 25.5 | 13% | 0.131 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -31.6 | -174.4 | 179 | 175.1 | -11.6 | 0 | 0 | 114.2 | S1175 L1176 Y1208 D1209 | S1175-Q1180 PolarHBondContact OG-OE1 3.4Å; L1176-Q1180 WeakPolarHBondContact O-CB 3.31Å; L1176-Q1180 PolarHBondContact O-N 2.83Å; Q1180-Y1208 WeakPolarHBondContact O-CA 3.3Å; Q1180-Y1208 VanDerWaalsContact O-CD2 3.24Å; Q1180-Y1208 WeakPolarHBondContact O-CD2 3.47Å; Q1180-D1209 HydrophobicContact CG-CB 3.95Å; Q1180-D1209 PolarHBondContact O-N 2.88Å |
| 1181 | D | 71.6 | Confident | 79.2 | Confident | 37 Ų | 37 | 22.9 Ų | 22.9 | 20% | 0.198 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 8.2 | -176.6 | -58.2 | -74.7 | 0 | 0 | 0 | 114.2 | I416 L1179 Y1208 G1210 H1211 | I416-D1181 HydrophobicContact CD1-CB 4.38Å; I416-D1181 WeakPolarHBondContact CD1-O 3.45Å; L1179-D1181 PolarHBondContact O-N 3.42Å; D1181-Y1208 WeakPolarHBondContact O-CE2 3.41Å; D1181-G1210 VanDerWaalsContact OD1-CA 3.28Å; D1181-G1210 WeakPolarHBondContact OD1-CA 3.47Å; D1181-H1211 WeakPolarHBondContact CB-NE2 3.34Å; D1181-H1211 VanDerWaalsContact CG-CD2 3.41Å; D1181-H1211 VanDerWaalsContact CG-NE2 3.28Å; D1181-H1211 IonicContact OD1-CD2 2.65Å; D1181-H1211 PolarHBondContact OD1-CD2 2.72Å; D1181-H1211 IonicContact OD1-CG 2.92Å; D1181-H1211 PolarHBondContact OD1-N 2.69Å; D1181-H1211 IonicContact OD1-NE2 3.76Å; D1181-H1211 PolarHBondContact OD1-NE2 2.71Å; D1181-H1211 IonicContact OD2-NE2 3.29Å |
| 1182 | M | 77.5 | Confident | 79.4 | Confident | 14 Ų | 14 | 21 Ų | 21 | 7% | 0.069 | 10% | 0.102 | C | C | . | . | trans | -129.7 | 86 | -174.7 | -68.5 | -164.4 | -67 | 0 | 0 | 114.3 | W417 W1178 L1179 T1185 S1186 H1191 L1388 P1389 | W417-M1182 HydrophobicContact CZ3-CG 4.42Å; W417-M1182 HydrophobicContact CZ3-SD 3.85Å; W1178-M1182 WeakPolarHBondContact O-CE 3.38Å; L1179-M1182 PolarHBondContact O-N 3.28Å; M1182-T1185 WeakPolarHBondContact CG-OG1 3.42Å; M1182-S1186 VanDerWaalsContact O-CB 3.28Å; M1182-S1186 WeakPolarHBondContact O-CB 3.04Å; M1182-H1191 PolarHBondContact O-CE1 3.47Å; M1182-H1191 PolarHBondContact O-NE2 3.28Å; M1182-L1388 HydrophobicContact SD-CD2 3.75Å; M1182-P1389 HydrophobicContact CE-CG 3.92Å | ||
| 1183 | L | 84 | Confident | 79.5 | Confident | 6 Ų | 6 | 21.4 Ų | 21.4 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -77.5 | -78.2 | 167.9 | -175.5 | 56.7 | 0 | 0 | 0 | 111.9 | E387 E413 S1186 Y1208 | E387-L1183 HydrophobicContact CG-CD2 4.07Å; E413-L1183 HydrophobicContact CB-CD2 4.49Å; E413-L1183 HydrophobicContact CG-CD2 4.29Å; L1183-S1186 WeakPolarHBondContact O-CB 3.24Å; L1183-Y1208 HydrophobicContact CB-CD1 4.09Å; L1183-Y1208 HydrophobicContact CB-CD2 3.89Å; L1183-Y1208 HydrophobicContact CB-CE2 4.48Å; L1183-Y1208 HydrophobicContact CB-CG 3.66Å; L1183-Y1208 HydrophobicContact CD2-CD1 4.12Å; L1183-Y1208 HydrophobicContact CD2-CG 4.38Å |
| 1184 | Y | 83.9 | Confident | 79.6 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -36.3 | -175.7 | -69.1 | -88.6 | 0 | 0 | 0 | 113.7 | E387 L392 Y409 E413 I423 C454 S1186 | E387-Y1184 WeakPolarHBondContact OE1-CE2 3.4Å; E387-Y1184 PolarHBondContact OE1-OH 2.87Å; L392-Y1184 HydrophobicContact CD1-CD1 4.41Å; L392-Y1184 HydrophobicContact CD1-CE1 3.76Å; Y409-Y1184 PolarHBondContact OH-OH 3.46Å; E413-Y1184 HydrophobicContact CB-CE2 4.18Å; I423-Y1184 HydrophobicContact CB-CD1 4.37Å; I423-Y1184 HydrophobicContact CG2-CD1 3.84Å; I423-Y1184 HydrophobicContact CG2-CE1 4.23Å; C454-Y1184 HydrophobicContact CB-CD1 4.4Å; C454-Y1184 HydrophobicContact CB-CD2 3.8Å; C454-Y1184 HydrophobicContact CB-CE2 4.09Å; C454-Y1184 HydrophobicContact CB-CG 3.99Å; C454-Y1184 VanDerWaalsContact SG-CB 3.52Å; C454-Y1184 WeakPolarHBondContact SG-CD1 3.46Å; Y1184-S1186 PolarHBondContact O-N 2.86Å |
| 1185 | T | 79.3 | Confident | 79.7 | Confident | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -8.5 | -177.4 | 45.1 | 0 | 0 | 0 | 0 | 113.7 | A415 W417 G421 M1182 | A415-T1185 HydrophobicContact CB-CG2 4.26Å; W417-T1185 HydrophobicContact CB-CG2 4.02Å; W417-T1185 HydrophobicContact CE3-CG2 4.07Å; W417-T1185 WeakPolarHBondContact O-CG2 3.45Å; G421-T1185 WeakPolarHBondContact CA-O 3.02Å; M1182-T1185 WeakPolarHBondContact CG-OG1 3.42Å |
| 1186 | S | 81 | Confident | 80.1 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | trans | -63.4 | 138 | -174.2 | -150.5 | 0 | 0 | 0 | 0 | 112.8 | R422 M1182 L1183 Y1184 Y1188 | R422-S1186 PolarHBondContact N-O 3.29Å; M1182-S1186 VanDerWaalsContact O-CB 3.28Å; M1182-S1186 WeakPolarHBondContact O-CB 3.04Å; L1183-S1186 WeakPolarHBondContact O-CB 3.24Å; Y1184-S1186 PolarHBondContact O-N 2.86Å; S1186-Y1188 WeakPolarHBondContact CB-O 3.24Å; S1186-Y1188 PolarHBondContact O-N 2.92Å; S1186-Y1188 PolarHBondContact OG-N 2.93Å | ||
| 1187 | D | 78.6 | Confident | 80.4 | Confident | 45 Ų | 45 | 24.6 Ų | 24.6 | 24% | 0.241 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -77.5 | -2.4 | 162.5 | -77.9 | -43.5 | 0 | 0 | 0 | 112.4 | R422 H1235 L1388 | R422-D1187 WeakPolarHBondContact CD-O 3.38Å; R422-D1187 PolarHBondContact NE-O 3.16Å; D1187-H1235 PolarHBondContact O-CD2 2.91Å; D1187-H1235 VanDerWaalsContact O-CD2 3.28Å; D1187-L1388 WeakPolarHBondContact OD2-CB 3.37Å |
| 1188 | Y | 79.4 | Confident | 80.9 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -102.6 | 155.1 | 171 | -57.5 | -79.4 | 0 | 0 | 0 | 111.1 | R422 L1179 S1186 I1233 H1235 L1241 P1389 R1391 V1392 | R422-Y1188 VanDerWaalsContact CD-C 3.47Å; L1179-Y1188 HydrophobicContact CD2-CD2 3.57Å; L1179-Y1188 HydrophobicContact CD2-CE2 4Å; L1179-Y1188 HydrophobicContact CD2-CG 4.47Å; S1186-Y1188 WeakPolarHBondContact CB-O 3.24Å; S1186-Y1188 PolarHBondContact O-N 2.92Å; S1186-Y1188 PolarHBondContact OG-N 2.93Å; Y1188-I1233 HydrophobicContact CD1-CG2 3.66Å; Y1188-I1233 HydrophobicContact CE1-CG2 4.34Å; Y1188-I1233 HydrophobicContact CG-CG2 3.87Å; Y1188-H1235 HydrophobicContact CD1-CB 4.43Å; Y1188-L1241 HydrophobicContact CD1-CD2 4.08Å; Y1188-L1241 HydrophobicContact CE1-CD2 4.03Å; Y1188-P1389 WeakPolarHBondContact CE2-O 3.34Å; Y1188-P1389 PolarHBondContact OH-O 2.97Å; Y1188-R1391 VanDerWaalsContact OH-CA 3.24Å; Y1188-R1391 WeakPolarHBondContact OH-CA 3.25Å; Y1188-R1391 PolarHBondContact OH-N 3.19Å; Y1188-V1392 HydrophobicContact CD2-CG2 4.36Å; Y1188-V1392 HydrophobicContact CE1-CB 4.22Å; Y1188-V1392 HydrophobicContact CE1-CG2 4.04Å; Y1188-V1392 HydrophobicContact CE2-CG2 3.69Å; Y1188-V1392 PolarHBondContact OH-N 2.9Å |
| 1189 | S | 75 | Confident | 81.4 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.028 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -90 | -24.8 | -175.7 | -1.9 | 0 | 0 | 0 | 0 | 112.7 | G389 R422 C1234 H1235 | G389-S1189 CarbonylContact C-O 3.54Å; G389-S1189 VanDerWaalsContact C-O 3.31Å; G389-S1189 WeakPolarHBondContact CA-O 3.35Å; R422-S1189 PolarHBondContact NH1-OG 3.49Å; S1189-C1234 WeakPolarHBondContact CB-O 3.42Å; S1189-C1234 PolarHBondContact N-O 2.99Å; S1189-C1234 PolarHBondContact OG-O 2.9Å; S1189-H1235 WeakPolarHBondContact OG-CA 3.45Å |
| 1190 | I | 74.7 | Confident | 81.6 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 144.4 | 179.8 | -42.2 | 168.4 | 0 | 0 | 0 | 107.2 | I390 L1147 I1192 E1207 I1233 C1234 | I390-I1190 HydrophobicContact CB-CD1 3.74Å; I390-I1190 HydrophobicContact CB-CG1 3.97Å; I390-I1190 HydrophobicContact CB-CG2 4.35Å; I390-I1190 HydrophobicContact CD1-CD1 4.04Å; I390-I1190 HydrophobicContact CG1-CD1 4.27Å; I390-I1190 HydrophobicContact CG2-CG2 4.4Å; L1147-I1190 HydrophobicContact CD1-CD1 3.94Å; L1147-I1190 HydrophobicContact CD2-CD1 4.07Å; I1190-I1192 HydrophobicContact CG2-CB 4.49Å; I1190-I1192 HydrophobicContact CG2-CG2 4.1Å; I1190-E1207 WeakPolarHBondContact CG2-OE1 3.48Å; I1190-I1233 WeakPolarHBondContact O-CA 3.49Å; I1190-C1234 HydrophobicContact CB-CB 3.95Å; I1190-C1234 HydrophobicContact CD1-CB 3.78Å; I1190-C1234 HydrophobicContact CG1-CB 3.93Å; I1190-C1234 PolarHBondContact O-N 3.01Å |
| 1191 | H | 81.3 | Confident | 81.6 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 54.2 | 173.5 | 56.2 | -81.5 | 0 | 0 | 0 | 112.8 | L1179 M1182 E1207 I1233 | L1179-H1191 HydrophobicContact CB-CB 4.43Å; L1179-H1191 HydrophobicContact CD1-CB 4.09Å; L1179-H1191 PolarHBondContact O-NE2 2.99Å; M1182-H1191 PolarHBondContact O-CE1 3.47Å; M1182-H1191 PolarHBondContact O-NE2 3.28Å; H1191-E1207 PolarHBondContact N-OE1 2.93Å; H1191-E1207 IonicContact ND1-OE1 3.29Å; H1191-E1207 WeakPolarHBondContact NE2-CG 3.15Å; H1191-I1233 HydrophobicContact CB-CG1 4.31Å |
| 1192 | I | 84.4 | Confident | 82 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 8% | 0.077 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 140.6 | -177.5 | -168 | 169.5 | 0 | 0 | 0 | 112.9 | L383 I1190 G1206 E1207 A1231 Q1232 | L383-I1192 HydrophobicContact CD1-CD1 4.39Å; I1190-I1192 HydrophobicContact CG2-CB 4.49Å; I1190-I1192 HydrophobicContact CG2-CG2 4.1Å; I1192-G1206 WeakPolarHBondContact CA-O 3.25Å; I1192-G1206 WeakPolarHBondContact CG1-O 3.4Å; I1192-E1207 HydrophobicContact CB-CB 4.38Å; I1192-E1207 HydrophobicContact CG1-CB 4.43Å; I1192-A1231 WeakPolarHBondContact O-CA 3.07Å; I1192-Q1232 PolarHBondContact N-O 3.2Å; I1192-Q1232 PolarHBondContact O-N 3.49Å |
| 1193 | F | 89.2 | Confident | 82.3 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 148.7 | 169.3 | 71.9 | -96 | 0 | 0 | 0 | 112.7 | I1174 L1176 I1195 A1205 G1206 F1220 V1229 I1230 A1231 | I1174-F1193 HydrophobicContact CB-CD2 4.49Å; I1174-F1193 HydrophobicContact CB-CE2 3.9Å; I1174-F1193 HydrophobicContact CB-CZ 3.94Å; I1174-F1193 HydrophobicContact CD1-CD2 4.36Å; I1174-F1193 HydrophobicContact CD1-CE2 4.1Å; I1174-F1193 HydrophobicContact CG1-CE2 4.44Å; I1174-F1193 HydrophobicContact CG2-CD2 4.38Å; I1174-F1193 HydrophobicContact CG2-CE2 4.26Å; I1174-F1193 HydrophobicContact CG2-CZ 4.38Å; L1176-F1193 HydrophobicContact CD1-CB 4.47Å; L1176-F1193 HydrophobicContact CD1-CD1 3.86Å; F1193-I1195 HydrophobicContact CD2-CG1 4.26Å; F1193-I1195 HydrophobicContact CE2-CD1 4.27Å; F1193-I1195 HydrophobicContact CE2-CG1 4.25Å; F1193-A1205 CarbonylContact O-C 3.55Å; F1193-A1205 WeakPolarHBondContact O-CA 3.47Å; F1193-A1205 WeakPolarHBondContact O-CB 3.4Å; F1193-G1206 WeakPolarHBondContact CD1-O 3.06Å; F1193-G1206 PolarHBondContact N-O 3.15Å; F1193-G1206 PolarHBondContact O-N 2.86Å; F1193-F1220 AromaticContact CE2-CE2 3.98Å; F1193-F1220 HydrophobicContact CE2-CE2 3.98Å; F1193-F1220 HydrophobicContact CE2-CZ 4.05Å; F1193-F1220 HydrophobicContact CZ-CE2 4.19Å; F1193-F1220 HydrophobicContact CZ-CZ 4.36Å; F1193-V1229 HydrophobicContact CB-CG1 4.25Å; F1193-V1229 HydrophobicContact CD2-CG1 4.23Å; F1193-I1230 CarbonylContact C-O 3.44Å; F1193-I1230 VanDerWaalsContact CA-O 3.31Å; F1193-I1230 WeakPolarHBondContact CA-O 3.47Å; F1193-A1231 HydrophobicContact CB-CB 4.17Å |
| 1194 | H | 88.9 | Confident | 82.3 | Confident | 33 Ų | 33 | 31.7 Ų | 31.7 | 15% | 0.153 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 142.1 | 176.7 | -62.7 | 61.3 | 0 | 0 | 0 | 110 | Y1196 Y1202 V1229 I1230 | H1194-Y1196 HydrophobicContact CB-CE2 3.65Å; H1194-Y1202 HydrophobicContact CB-CE2 4.2Å; H1194-Y1202 AromaticContact CD2-CE2 3.78Å; H1194-V1229 CarbonylContact O-C 3.38Å; H1194-V1229 WeakPolarHBondContact O-CA 3.4Å; H1194-I1230 PolarHBondContact N-O 3.16Å; H1194-I1230 PolarHBondContact O-N 2.97Å |
| 1195 | I | 91.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 136 | 179.5 | -47.3 | 174.8 | 0 | 0 | 0 | 109.7 | I1174 F1193 I1203 G1204 F1220 | I1174-I1195 HydrophobicContact CD1-CD1 3.46Å; I1174-I1195 VanDerWaalsContact CD1-CD1 3.46Å; I1174-I1195 HydrophobicContact CD1-CG1 3.66Å; I1174-I1195 HydrophobicContact CG1-CD1 4.39Å; F1193-I1195 HydrophobicContact CD2-CG1 4.26Å; F1193-I1195 HydrophobicContact CE2-CD1 4.27Å; F1193-I1195 HydrophobicContact CE2-CG1 4.25Å; I1195-I1203 HydrophobicContact CB-CB 4.29Å; I1195-I1203 HydrophobicContact CG2-CB 4.3Å; I1195-I1203 HydrophobicContact CG2-CD1 4.07Å; I1195-I1203 PolarHBondContact O-N 2.99Å; I1195-G1204 PolarHBondContact N-O 2.84Å; I1195-F1220 HydrophobicContact CD1-CB 4.36Å; I1195-F1220 HydrophobicContact CD1-CD1 3.82Å; I1195-F1220 HydrophobicContact CD1-CD2 3.45Å; I1195-F1220 VanDerWaalsContact CD1-CD2 3.45Å; I1195-F1220 HydrophobicContact CD1-CE1 3.92Å; I1195-F1220 HydrophobicContact CD1-CE2 3.56Å; I1195-F1220 HydrophobicContact CD1-CG 3.59Å; I1195-F1220 HydrophobicContact CD1-CZ 3.79Å |
| 1196 | Y | 90.7 | Very high | 82.7 | Confident | 61 Ų | 61 | 31.6 Ų | 31.6 | 24% | 0.239 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 149.1 | 175.4 | -55.6 | -91.2 | 0 | 0 | 0 | 111.4 | H1194 R1201 Y1202 Y1227 K1228 I1230 | H1194-Y1196 HydrophobicContact CB-CE2 3.65Å; Y1196-R1201 CarbonylContact C-O 3.57Å; Y1196-R1201 WeakPolarHBondContact CA-O 3.41Å; Y1196-R1201 WeakPolarHBondContact CB-O 3.45Å; Y1196-Y1202 HydrophobicContact CE1-CD2 4.03Å; Y1196-Y1202 HydrophobicContact CE1-CG 4.49Å; Y1196-Y1227 WeakPolarHBondContact O-CA 3.28Å; Y1196-K1228 PolarHBondContact N-O 3.01Å; Y1196-K1228 PolarHBondContact O-N 2.83Å; Y1196-I1230 HydrophobicContact CD2-CD1 4.1Å; Y1196-I1230 HydrophobicContact CD2-CG1 4.24Å; Y1196-I1230 HydrophobicContact CE2-CB 4.47Å; Y1196-I1230 HydrophobicContact CE2-CD1 3.7Å; Y1196-I1230 HydrophobicContact CE2-CG1 4.03Å |
| 1197 | D | 87.4 | Confident | 82.8 | Confident | 21 Ų | 21 | 31.7 Ų | 31.7 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 177 | 168.6 | 76.5 | -3 | 0 | 0 | 0 | 112.2 | C1199 G1200 R1201 I1203 Y1227 | D1197-C1199 PolarHBondContact O-N 3.2Å; D1197-C1199 VanDerWaalsContact OD1-CA 3.28Å; D1197-C1199 WeakPolarHBondContact OD1-CA 3.44Å; D1197-C1199 WeakPolarHBondContact OD1-CB 3.33Å; D1197-C1199 PolarHBondContact OD1-N 2.82Å; D1197-C1199 PolarHBondContact OD2-SG 2.74Å; D1197-G1200 PolarHBondContact O-N 3.32Å; D1197-G1200 PolarHBondContact OD1-N 2.86Å; D1197-R1201 PolarHBondContact N-O 2.97Å; D1197-R1201 WeakPolarHBondContact OD1-CB 3.29Å; D1197-R1201 PolarHBondContact OD1-N 3.01Å; D1197-R1201 IonicContact OD2-CZ 2.65Å; D1197-R1201 IonicContact OD2-NE 2.75Å; D1197-R1201 PolarHBondContact OD2-NE 2.98Å; D1197-R1201 IonicContact OD2-NH2 3.15Å; D1197-R1201 PolarHBondContact OD2-NH2 2.99Å; D1197-I1203 HydrophobicContact CB-CD1 4.12Å; D1197-Y1227 HydrophobicContact CB-CD1 4.3Å; D1197-Y1227 HydrophobicContact CB-CE1 4.09Å |
| 1198 | N | 81.3 | Confident | 82.9 | Confident | 107 Ų | 107 | 30.1 Ų | 30.1 | 57% | 0.572 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.2 | 173.3 | -96 | -14.9 | 0 | 0 | 0 | 114.5 | D1226 | N1198-D1226 PolarHBondContact N-O 3.09Å; N1198-D1226 WeakPolarHBondContact ND2-CB 3.1Å; N1198-D1226 PolarHBondContact ND2-OD2 2.75Å |
| 1199 | C | 80.5 | Confident | 82.3 | Confident | 62 Ų | 62 | 30.3 Ų | 30.3 | 42% | 0.419 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.5 | 172.7 | -48.7 | 0 | 0 | 0 | 0 | 111.9 | D1197 R1201 W1780 | D1197-C1199 PolarHBondContact O-N 3.2Å; D1197-C1199 VanDerWaalsContact OD1-CA 3.28Å; D1197-C1199 WeakPolarHBondContact OD1-CA 3.44Å; D1197-C1199 WeakPolarHBondContact OD1-CB 3.33Å; D1197-C1199 PolarHBondContact OD1-N 2.82Å; D1197-C1199 PolarHBondContact OD2-SG 2.74Å; C1199-R1201 HydrophobicContact CB-CG 4.08Å; C1199-W1780 HydrophobicContact CB-CZ3 4.23Å; C1199-W1780 WeakPolarHBondContact SG-CZ3 3.44Å |
| 1200 | G | 78.8 | Confident | 81.6 | Confident | 52 Ų | 52 | 30.5 Ų | 30.5 | 54% | 0.536 | 16% | 0.164 | S | C | . | . | trans | 83.7 | 8.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1197 | D1197-G1200 PolarHBondContact O-N 3.32Å; D1197-G1200 PolarHBondContact OD1-N 2.86Å | ||
| 1201 | R | 74.7 | Confident | 80.7 | Confident | 106 Ų | 106 | 33.3 Ų | 33.3 | 40% | 0.4 | 18% | 0.177 | S | C | . | . | trans | -68.9 | 143.3 | 171.8 | -63.7 | -177.7 | -67.8 | -174.1 | 0 | 109.4 | Y1196 D1197 C1199 D1782 | Y1196-R1201 CarbonylContact C-O 3.57Å; Y1196-R1201 WeakPolarHBondContact CA-O 3.41Å; Y1196-R1201 WeakPolarHBondContact CB-O 3.45Å; D1197-R1201 PolarHBondContact N-O 2.97Å; D1197-R1201 WeakPolarHBondContact OD1-CB 3.29Å; D1197-R1201 PolarHBondContact OD1-N 3.01Å; D1197-R1201 IonicContact OD2-CZ 2.65Å; D1197-R1201 IonicContact OD2-NE 2.75Å; D1197-R1201 PolarHBondContact OD2-NE 2.98Å; D1197-R1201 IonicContact OD2-NH2 3.15Å; D1197-R1201 PolarHBondContact OD2-NH2 2.99Å; C1199-R1201 HydrophobicContact CB-CG 4.08Å; R1201-D1782 IonicContact NH1-OD1 3.85Å; R1201-D1782 PolarHBondContact NH1-OD1 2.91Å | ||
| 1202 | Y | 81 | Confident | 79.3 | Confident | 64 Ų | 64 | 39.3 Ų | 39.3 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 136 | 178 | 170.6 | -106.7 | 0 | 0 | 0 | 110.4 | H1194 Y1196 G1204 A1205 | H1194-Y1202 HydrophobicContact CB-CE2 4.2Å; H1194-Y1202 AromaticContact CD2-CE2 3.78Å; Y1196-Y1202 HydrophobicContact CE1-CD2 4.03Å; Y1196-Y1202 HydrophobicContact CE1-CG 4.49Å; Y1202-G1204 VanDerWaalsContact CE2-C 3.41Å; Y1202-G1204 WeakPolarHBondContact CE2-O 3.44Å; Y1202-G1204 VanDerWaalsContact CZ-C 3.44Å; Y1202-G1204 VanDerWaalsContact CZ-CA 3.47Å; Y1202-G1204 WeakPolarHBondContact OH-CA 3.42Å; Y1202-A1205 HydrophobicContact CE2-CB 4.21Å; Y1202-A1205 WeakPolarHBondContact OH-CB 3.5Å; Y1202-A1205 PolarHBondContact OH-N 3.46Å |
| 1203 | I | 83.3 | Confident | 77.6 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -36.4 | -178.1 | -53.8 | 179.9 | 0 | 0 | 0 | 111.4 | I1195 D1197 L1222 Y1227 | I1195-I1203 HydrophobicContact CB-CB 4.29Å; I1195-I1203 HydrophobicContact CG2-CB 4.3Å; I1195-I1203 HydrophobicContact CG2-CD1 4.07Å; I1195-I1203 PolarHBondContact O-N 2.99Å; D1197-I1203 HydrophobicContact CB-CD1 4.12Å; I1203-L1222 HydrophobicContact CD1-CD2 4.03Å; I1203-L1222 HydrophobicContact CG2-CD2 4.22Å; I1203-Y1227 HydrophobicContact CD1-CD1 3.47Å; I1203-Y1227 VanDerWaalsContact CD1-CD1 3.47Å; I1203-Y1227 HydrophobicContact CD1-CE1 3.34Å |
| 1204 | G | 83.7 | Confident | 75.6 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.5 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1195 Y1202 | I1195-G1204 PolarHBondContact N-O 2.84Å; Y1202-G1204 VanDerWaalsContact CE2-C 3.41Å; Y1202-G1204 WeakPolarHBondContact CE2-O 3.44Å; Y1202-G1204 VanDerWaalsContact CZ-C 3.44Å; Y1202-G1204 VanDerWaalsContact CZ-CA 3.47Å; Y1202-G1204 WeakPolarHBondContact OH-CA 3.42Å |
| 1205 | A | 85.9 | Confident | 74.3 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.033 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 166.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L383 F1193 Y1202 | L383-A1205 VanDerWaalsContact CD2-C 3.42Å; L383-A1205 HydrophobicContact CD2-CB 3.68Å; L383-A1205 VanDerWaalsContact CD2-O 3.31Å; L383-A1205 WeakPolarHBondContact CD2-O 3.46Å; F1193-A1205 CarbonylContact O-C 3.55Å; F1193-A1205 WeakPolarHBondContact O-CA 3.47Å; F1193-A1205 WeakPolarHBondContact O-CB 3.4Å; Y1202-A1205 HydrophobicContact CE2-CB 4.21Å; Y1202-A1205 WeakPolarHBondContact OH-CB 3.5Å; Y1202-A1205 PolarHBondContact OH-N 3.46Å |
| 1206 | G | 85.7 | Confident | 73.3 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 159 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1192 F1193 | I1192-G1206 WeakPolarHBondContact CA-O 3.25Å; I1192-G1206 WeakPolarHBondContact CG1-O 3.4Å; F1193-G1206 WeakPolarHBondContact CD1-O 3.06Å; F1193-G1206 PolarHBondContact N-O 3.15Å; F1193-G1206 PolarHBondContact O-N 2.86Å |
| 1207 | E | 84 | Confident | 72.5 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -135.6 | -83.9 | 172.1 | -179.7 | 162.5 | -123.2 | 0 | 0 | 108.6 | M386 T388 G389 I1190 H1191 I1192 | M386-E1207 HydrophobicContact CE-CB 4.34Å; T388-E1207 WeakPolarHBondContact CA-OE2 3.28Å; T388-E1207 WeakPolarHBondContact CB-OE2 3.49Å; G389-E1207 PolarHBondContact N-OE2 3.43Å; I1190-E1207 WeakPolarHBondContact CG2-OE1 3.48Å; H1191-E1207 PolarHBondContact N-OE1 2.93Å; H1191-E1207 IonicContact ND1-OE1 3.29Å; H1191-E1207 WeakPolarHBondContact NE2-CG 3.15Å; I1192-E1207 HydrophobicContact CB-CB 4.38Å; I1192-E1207 HydrophobicContact CG1-CB 4.43Å |
| 1208 | Y | 78.9 | Confident | 72.3 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | trans | -99.5 | 122.7 | -178.9 | 167.2 | -105.3 | 0 | 0 | 0 | 113.1 | E413 Q414 Q1180 D1181 L1183 F1218 | E413-Y1208 HydrophobicContact CB-CD1 4.4Å; E413-Y1208 HydrophobicContact CB-CE1 3.75Å; E413-Y1208 HydrophobicContact CG-CD1 4.11Å; E413-Y1208 HydrophobicContact CG-CE1 3.81Å; Q414-Y1208 PolarHBondContact O-OH 2.88Å; Q1180-Y1208 WeakPolarHBondContact O-CA 3.3Å; Q1180-Y1208 VanDerWaalsContact O-CD2 3.24Å; Q1180-Y1208 WeakPolarHBondContact O-CD2 3.47Å; D1181-Y1208 WeakPolarHBondContact O-CE2 3.41Å; L1183-Y1208 HydrophobicContact CB-CD1 4.09Å; L1183-Y1208 HydrophobicContact CB-CD2 3.89Å; L1183-Y1208 HydrophobicContact CB-CE2 4.48Å; L1183-Y1208 HydrophobicContact CB-CG 3.66Å; L1183-Y1208 HydrophobicContact CD2-CD1 4.12Å; L1183-Y1208 HydrophobicContact CD2-CG 4.38Å; Y1208-F1218 WeakPolarHBondContact O-CE2 3.48Å | ||
| 1209 | D | 67.9 | Low | 72.4 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | trans | -133.9 | 55.8 | 180 | -161.4 | -7.3 | 0 | 0 | 0 | 111.1 | Q1180 H1211 P1216 K1217 F1218 | Q1180-D1209 HydrophobicContact CG-CB 3.95Å; Q1180-D1209 PolarHBondContact O-N 2.88Å; D1209-H1211 PolarHBondContact O-N 2.88Å; D1209-P1216 WeakPolarHBondContact OD1-CA 3.36Å; D1209-P1216 VanDerWaalsContact OD2-CB 3.3Å; D1209-P1216 WeakPolarHBondContact OD2-CB 3.44Å; D1209-K1217 WeakPolarHBondContact OD1-CB 3.48Å; D1209-K1217 WeakPolarHBondContact OD1-CG 3.26Å; D1209-K1217 PolarHBondContact OD1-N 2.96Å; D1209-K1217 PolarHBondContact OD2-N 2.84Å; D1209-F1218 HydrophobicContact CB-CD2 3.91Å; D1209-F1218 HydrophobicContact CB-CE2 4.34Å; D1209-F1218 PolarHBondContact OD2-N 2.86Å | ||
| 1210 | G | 60.7 | Low | 72.7 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 8% | 0.082 | 28% | 0.284 | C | S | . | . | trans | -61.2 | 122.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D1181 R1212 | D1181-G1210 VanDerWaalsContact OD1-CA 3.28Å; D1181-G1210 WeakPolarHBondContact OD1-CA 3.47Å; G1210-R1212 PolarHBondContact O-N 2.71Å | ||
| 1211 | H | 54.7 | Low | 73.1 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 30% | 0.296 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 49 | 11.1 | 160.4 | -75.5 | -81.8 | 0 | 0 | 0 | 119.5 | S1009 D1010 D1181 D1209 Q1213 | S1009-H1211 VanDerWaalsContact CB-NE2 3.29Å; S1009-H1211 WeakPolarHBondContact CB-NE2 3.48Å; S1009-H1211 PolarHBondContact OG-CE1 3.02Å; S1009-H1211 PolarHBondContact OG-NE2 2.98Å; D1010-H1211 IonicContact OD1-CE1 2.75Å; D1010-H1211 IonicContact OD1-CG 3.18Å; D1010-H1211 IonicContact OD1-ND1 2.67Å; D1010-H1211 PolarHBondContact OD1-ND1 2.83Å; D1181-H1211 WeakPolarHBondContact CB-NE2 3.34Å; D1181-H1211 VanDerWaalsContact CG-CD2 3.41Å; D1181-H1211 VanDerWaalsContact CG-NE2 3.28Å; D1181-H1211 IonicContact OD1-CD2 2.65Å; D1181-H1211 PolarHBondContact OD1-CD2 2.72Å; D1181-H1211 IonicContact OD1-CG 2.92Å; D1181-H1211 PolarHBondContact OD1-N 2.69Å; D1181-H1211 IonicContact OD1-NE2 3.76Å; D1181-H1211 PolarHBondContact OD1-NE2 2.71Å; D1181-H1211 IonicContact OD2-NE2 3.29Å; D1209-H1211 PolarHBondContact O-N 2.88Å; H1211-Q1213 VanDerWaalsContact C-N 3.3Å; H1211-Q1213 PolarHBondContact O-N 3.12Å; H1211-Q1213 VanDerWaalsContact O-N 3.07Å |
| 1212 | R | 52.2 | Low | 73.6 | Confident | 129 Ų | 129 | 56.3 Ų | 56.3 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | trans | -87.4 | 64.1 | 175 | -67.5 | -177.1 | -178.8 | -171.8 | 1.3 | 111.7 | G1210 Q1214 R1215 | G1210-R1212 PolarHBondContact O-N 2.71Å; R1212-Q1214 PolarHBondContact O-N 3.31Å; R1212-R1215 VanDerWaalsContact CB-O 3.23Å; R1212-R1215 WeakPolarHBondContact CB-O 3.37Å; R1212-R1215 CarbonylContact O-C 3.54Å; R1212-R1215 PolarHBondContact O-N 3.2Å | ||
| 1213 | Q | 48.3 | Very low | 73.7 | Confident | 151 Ų | 151 | 54.4 Ų | 54.4 | 71% | 0.706 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -29.1 | -179.2 | -60.6 | -177.6 | 22.1 | 0 | 0 | 114 | D1010 H1211 | D1010-Q1213 PolarHBondContact OD1-NE2 2.95Å; D1010-Q1213 PolarHBondContact OD2-NE2 3.13Å; H1211-Q1213 VanDerWaalsContact C-N 3.3Å; H1211-Q1213 PolarHBondContact O-N 3.12Å; H1211-Q1213 VanDerWaalsContact O-N 3.07Å |
| 1214 | Q | 47.7 | Very low | 73.8 | Confident | 173 Ų | 173 | 56.8 Ų | 56.8 | 81% | 0.808 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -20.2 | 176.8 | -64.9 | -177.3 | -7.4 | 0 | 0 | 114.8 | R1212 | R1212-Q1214 PolarHBondContact O-N 3.31Š|
| 1215 | R | 62.2 | Low | 74 | Confident | 210 Ų | 210 | 57.8 Ų | 57.8 | 79% | 0.792 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -152.9 | 74.2 | -175.9 | -69.7 | -167.6 | -179.9 | 174.3 | 0.9 | 111.5 | R1212 | R1212-R1215 VanDerWaalsContact CB-O 3.23Å; R1212-R1215 WeakPolarHBondContact CB-O 3.37Å; R1212-R1215 CarbonylContact O-C 3.54Å; R1212-R1215 PolarHBondContact O-N 3.2Å |
| 1216 | P | 69.9 | Low | 74.3 | Confident | 36 Ų | 36 | 60.9 Ų | 60.9 | 23% | 0.234 | 29% | 0.289 | C | S | . | . | trans | -59 | 144.1 | 170.8 | 23.7 | -32.7 | 0 | 0 | 0 | 111.3 | I1173 D1209 T1219 | I1173-P1216 HydrophobicContact CD1-CG 3.72Å; I1173-P1216 HydrophobicContact CG1-CG 3.96Å; I1173-P1216 HydrophobicContact CG2-CB 4.43Å; D1209-P1216 WeakPolarHBondContact OD1-CA 3.36Å; D1209-P1216 VanDerWaalsContact OD2-CB 3.3Å; D1209-P1216 WeakPolarHBondContact OD2-CB 3.44Å; P1216-T1219 HydrophobicContact CG-CG2 3.89Å | ||
| 1217 | K | 74.3 | Confident | 74.6 | Confident | 59 Ų | 59 | 61.9 Ų | 61.9 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -70.6 | -32.8 | 177.6 | -62.4 | 177.8 | -172.4 | 179.6 | 0 | 112.3 | M386 E413 D1209 | M386-K1217 HydrophobicContact SD-CD 4.49Å; E413-K1217 IonicContact OE1-NZ 2.84Å; E413-K1217 PolarHBondContact OE1-NZ 2.98Å; E413-K1217 IonicContact OE2-NZ 2.96Å; E413-K1217 PolarHBondContact OE2-NZ 2.86Å; D1209-K1217 WeakPolarHBondContact OD1-CB 3.48Å; D1209-K1217 WeakPolarHBondContact OD1-CG 3.26Å; D1209-K1217 PolarHBondContact OD1-N 2.96Å; D1209-K1217 PolarHBondContact OD2-N 2.84Å |
| 1218 | F | 82.8 | Confident | 75.1 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 8% | 0.075 | 31% | 0.31 | C | S | . | . | trans | -113.2 | 78.9 | -171.9 | -59.2 | -53.7 | 0 | 0 | 0 | 112.7 | L383 M386 Y1208 D1209 F1220 | L383-F1218 HydrophobicContact CB-CE1 4.16Å; L383-F1218 HydrophobicContact CB-CZ 4.39Å; L383-F1218 HydrophobicContact CD1-CZ 4.47Å; L383-F1218 HydrophobicContact CD2-CE1 4Å; L383-F1218 HydrophobicContact CD2-CZ 4.23Å; M386-F1218 HydrophobicContact CE-CE2 4.49Å; M386-F1218 HydrophobicContact CE-CZ 4.01Å; M386-F1218 HydrophobicContact SD-CE2 4.4Å; M386-F1218 HydrophobicContact SD-CZ 3.83Å; Y1208-F1218 WeakPolarHBondContact O-CE2 3.48Å; D1209-F1218 HydrophobicContact CB-CD2 3.91Å; D1209-F1218 HydrophobicContact CB-CE2 4.34Å; D1209-F1218 PolarHBondContact OD2-N 2.86Å; F1218-F1220 HydrophobicContact CB-CE2 3.96Å; F1218-F1220 HydrophobicContact CB-CZ 3.89Å; F1218-F1220 WeakPolarHBondContact O-CE2 3.33Å | ||
| 1219 | T | 84 | Confident | 75.8 | Confident | 71 Ų | 71 | 65.3 Ų | 65.3 | 44% | 0.436 | 31% | 0.309 | S | S | . | . | trans | -103.1 | 132.8 | 172.5 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | T1172 I1173 P1216 | T1172-T1219 CarbonylContact O-C 3.59Å; T1172-T1219 WeakPolarHBondContact O-CA 3.48Å; I1173-T1219 HydrophobicContact CG1-CG2 4.28Å; P1216-T1219 HydrophobicContact CG-CG2 3.89Å | ||
| 1220 | F | 85.8 | Confident | 76.9 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 9% | 0.088 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.2 | -177.7 | -49.8 | -82.6 | 0 | 0 | 0 | 111.9 | T1172 F1193 I1195 F1218 L1222 | T1172-F1220 WeakPolarHBondContact CB-O 3.3Å; T1172-F1220 PolarHBondContact N-O 2.78Å; T1172-F1220 PolarHBondContact O-N 2.96Å; F1193-F1220 AromaticContact CE2-CE2 3.98Å; F1193-F1220 HydrophobicContact CE2-CE2 3.98Å; F1193-F1220 HydrophobicContact CE2-CZ 4.05Å; F1193-F1220 HydrophobicContact CZ-CE2 4.19Å; F1193-F1220 HydrophobicContact CZ-CZ 4.36Å; I1195-F1220 HydrophobicContact CD1-CB 4.36Å; I1195-F1220 HydrophobicContact CD1-CD1 3.82Å; I1195-F1220 HydrophobicContact CD1-CD2 3.45Å; I1195-F1220 VanDerWaalsContact CD1-CD2 3.45Å; I1195-F1220 HydrophobicContact CD1-CE1 3.92Å; I1195-F1220 HydrophobicContact CD1-CE2 3.56Å; I1195-F1220 HydrophobicContact CD1-CG 3.59Å; I1195-F1220 HydrophobicContact CD1-CZ 3.79Å; F1218-F1220 HydrophobicContact CB-CE2 3.96Å; F1218-F1220 HydrophobicContact CB-CZ 3.89Å; F1218-F1220 WeakPolarHBondContact O-CE2 3.33Å; F1220-L1222 HydrophobicContact CB-CD2 4.36Å |
| 1221 | N | 86.8 | Confident | 78.3 | Confident | 86 Ų | 86 | 66 Ų | 66 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 118.7 | 170.2 | -68.6 | -20.6 | 0 | 0 | 0 | 108.7 | A1170 M1787 | A1170-N1221 PolarHBondContact O-OD1 2.89Å; N1221-M1787 HydrophobicContact CB-CE 4.29Å; N1221-M1787 WeakPolarHBondContact O-CE 3.35Å |
| 1222 | L | 85.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.8 | 178.3 | -56.2 | -177.2 | 0 | 0 | 0 | 111.1 | F1163 K1168 T1169 T1172 I1203 F1220 Y1227 | F1163-L1222 HydrophobicContact CE2-CD1 4.18Å; F1163-L1222 HydrophobicContact CZ-CD1 3.78Å; K1168-L1222 WeakPolarHBondContact CA-O 3.22Å; T1169-L1222 PolarHBondContact N-O 3.09Å; T1169-L1222 PolarHBondContact O-N 3.02Å; T1169-L1222 WeakPolarHBondContact OG1-CB 3.44Å; T1169-L1222 PolarHBondContact OG1-N 3.4Å; T1169-L1222 PolarHBondContact OG1-O 3.45Å; T1172-L1222 HydrophobicContact CG2-CD1 3.77Å; T1172-L1222 HydrophobicContact CG2-CG 4.46Å; I1203-L1222 HydrophobicContact CD1-CD2 4.03Å; I1203-L1222 HydrophobicContact CG2-CD2 4.22Å; F1220-L1222 HydrophobicContact CB-CD2 4.36Å; L1222-Y1227 HydrophobicContact CB-CE2 3.99Å; L1222-Y1227 HydrophobicContact CD1-CD2 4.19Å; L1222-Y1227 HydrophobicContact CD1-CE2 4.27Å; L1222-Y1227 HydrophobicContact CD1-CG 4.45Å; L1222-Y1227 HydrophobicContact CD2-CD1 4.26Å; L1222-Y1227 HydrophobicContact CD2-CE1 3.97Å |
| 1223 | Q | 84.3 | Confident | 81.5 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | trans | -83.3 | 172.6 | 168.6 | -73.1 | -35.8 | -65.3 | 0 | 0 | 111.6 | C1165 K1168 G1225 Y1227 I1783 M1787 | C1165-Q1223 WeakPolarHBondContact CB-O 3Å; K1168-Q1223 VanDerWaalsContact CD-OE1 3.28Å; Q1223-G1225 PolarHBondContact O-N 3.1Å; Q1223-Y1227 PolarHBondContact N-OH 3.35Å; Q1223-Y1227 WeakPolarHBondContact O-CE2 3.43Å; Q1223-Y1227 PolarHBondContact O-OH 2.88Å; Q1223-Y1227 VanDerWaalsContact O-OH 3.1Å; Q1223-I1783 HydrophobicContact CG-CG2 3.99Å; Q1223-M1787 HydrophobicContact CG-CE 3.91Å; Q1223-M1787 HydrophobicContact CG-CG 3.79Å; Q1223-M1787 HydrophobicContact CG-SD 4.13Å | ||
| 1224 | K | 85.3 | Confident | 83.2 | Confident | 111 Ų | 111 | 51.7 Ų | 51.7 | 48% | 0.483 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -64.8 | 124.8 | 165.4 | -173.8 | 171.9 | -171.3 | 176 | 0 | 109.7 | C1165 P1166 E1587 | C1165-K1224 VanDerWaalsContact O-CA 3.3Å; C1165-K1224 WeakPolarHBondContact O-CA 3.28Å; P1166-K1224 VanDerWaalsContact O-CD 3.25Å; P1166-K1224 WeakPolarHBondContact O-CD 3.42Å; P1166-K1224 WeakPolarHBondContact O-CE 3.47Å; P1166-K1224 WeakPolarHBondContact O-CG 3.49Å; K1224-E1587 IonicContact NZ-OE1 3.86Å; K1224-E1587 PolarHBondContact NZ-OE1 2.82Å |
| 1225 | G | 87.3 | Confident | 84.9 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 29% | 0.289 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.4 | 176.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C1165 Q1223 Y1227 | C1165-G1225 PolarHBondContact N-O 3.45Å; C1165-G1225 PolarHBondContact O-N 3.36Å; Q1223-G1225 PolarHBondContact O-N 3.1Å; G1225-Y1227 WeakPolarHBondContact O-CD2 3.41Å; G1225-Y1227 WeakPolarHBondContact O-CE2 3.4Å |
| 1226 | D | 91.2 | Very high | 85.6 | Confident | 70 Ų | 70 | 36.2 Ų | 36.2 | 37% | 0.374 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 148.9 | 178.7 | -29 | -70.5 | 0 | 0 | 0 | 113 | F1163 S1164 N1198 | F1163-D1226 WeakPolarHBondContact O-CA 3.45Å; S1164-D1226 WeakPolarHBondContact CB-OD1 3.39Å; S1164-D1226 PolarHBondContact OG-OD1 3.01Å; N1198-D1226 PolarHBondContact N-O 3.09Å; N1198-D1226 WeakPolarHBondContact ND2-CB 3.1Å; N1198-D1226 PolarHBondContact ND2-OD2 2.75Å |
| 1227 | Y | 93.4 | Very high | 86 | Confident | 20 Ų | 20 | 35 Ų | 35 | 8% | 0.078 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 154.1 | -174 | -64.9 | -79.5 | 0 | 0 | 0 | 111.3 | R1162 F1163 C1165 Y1196 D1197 I1203 L1222 Q1223 G1225 | R1162-Y1227 WeakPolarHBondContact CA-O 3.36Å; F1163-Y1227 HydrophobicContact CE1-CG 4.46Å; F1163-Y1227 HydrophobicContact CE2-CD2 4.21Å; F1163-Y1227 HydrophobicContact CZ-CD2 4.12Å; F1163-Y1227 HydrophobicContact CZ-CG 4.17Å; F1163-Y1227 PolarHBondContact N-O 2.8Å; F1163-Y1227 PolarHBondContact O-N 3.36Å; C1165-Y1227 HydrophobicContact CB-CD2 3.93Å; C1165-Y1227 HydrophobicContact CB-CE2 3.68Å; Y1196-Y1227 WeakPolarHBondContact O-CA 3.28Å; D1197-Y1227 HydrophobicContact CB-CD1 4.3Å; D1197-Y1227 HydrophobicContact CB-CE1 4.09Å; I1203-Y1227 HydrophobicContact CD1-CD1 3.47Å; I1203-Y1227 VanDerWaalsContact CD1-CD1 3.47Å; I1203-Y1227 HydrophobicContact CD1-CE1 3.34Å; L1222-Y1227 HydrophobicContact CB-CE2 3.99Å; L1222-Y1227 HydrophobicContact CD1-CD2 4.19Å; L1222-Y1227 HydrophobicContact CD1-CE2 4.27Å; L1222-Y1227 HydrophobicContact CD1-CG 4.45Å; L1222-Y1227 HydrophobicContact CD2-CD1 4.26Å; L1222-Y1227 HydrophobicContact CD2-CE1 3.97Å; Q1223-Y1227 PolarHBondContact N-OH 3.35Å; Q1223-Y1227 WeakPolarHBondContact O-CE2 3.43Å; Q1223-Y1227 PolarHBondContact O-OH 2.88Å; Q1223-Y1227 VanDerWaalsContact O-OH 3.1Å; G1225-Y1227 WeakPolarHBondContact O-CD2 3.41Å; G1225-Y1227 WeakPolarHBondContact O-CE2 3.4Å |
| 1228 | K | 93.5 | Very high | 86 | Confident | 86 Ų | 86 | 32.6 Ų | 32.6 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 123.3 | 179.9 | -178.8 | -171.1 | 178.9 | -169.6 | 0 | 109.9 | T1160 Y1161 Y1196 I1230 | T1160-K1228 HydrophobicContact CG2-CD 4.45Å; T1160-K1228 HydrophobicContact CG2-CG 4.09Å; Y1161-K1228 WeakPolarHBondContact O-CA 3.44Å; Y1196-K1228 PolarHBondContact N-O 3.01Å; Y1196-K1228 PolarHBondContact O-N 2.83Å; K1228-I1230 HydrophobicContact CD-CD1 4.44Å; K1228-I1230 HydrophobicContact CG-CG1 4.35Å |
| 1229 | V | 92.9 | Very high | 85.5 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134.6 | 174.9 | -165.4 | 0 | 0 | 0 | 0 | 108.7 | T1160 Y1161 F1163 I1174 F1193 H1194 I1398 | T1160-V1229 WeakPolarHBondContact CA-O 3.08Å; Y1161-V1229 HydrophobicContact CD2-CB 4.26Å; Y1161-V1229 PolarHBondContact N-O 3.08Å; Y1161-V1229 PolarHBondContact O-N 2.76Å; F1163-V1229 HydrophobicContact CD1-CG2 4.17Å; F1163-V1229 HydrophobicContact CE1-CG2 3.76Å; I1174-V1229 HydrophobicContact CD1-CG1 3.99Å; I1174-V1229 HydrophobicContact CD1-CG2 3.71Å; I1174-V1229 HydrophobicContact CG2-CG1 4.48Å; F1193-V1229 HydrophobicContact CB-CG1 4.25Å; F1193-V1229 HydrophobicContact CD2-CG1 4.23Å; H1194-V1229 CarbonylContact O-C 3.38Å; H1194-V1229 WeakPolarHBondContact O-CA 3.4Å; V1229-I1398 HydrophobicContact CB-CD1 4.4Å; V1229-I1398 HydrophobicContact CG2-CD1 4.35Å |
| 1230 | I | 91.8 | Very high | 84.9 | Confident | 27 Ų | 27 | 32.8 Ų | 32.8 | 14% | 0.138 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 105.6 | 175.5 | -51.6 | -177.9 | 0 | 0 | 0 | 108.3 | R1158 L1159 T1160 F1193 H1194 Y1196 K1228 | R1158-I1230 HydrophobicContact CG-CG2 3.57Å; L1159-I1230 WeakPolarHBondContact O-CA 3.03Å; T1160-I1230 HydrophobicContact CG2-CG1 4.48Å; F1193-I1230 CarbonylContact C-O 3.44Å; F1193-I1230 VanDerWaalsContact CA-O 3.31Å; F1193-I1230 WeakPolarHBondContact CA-O 3.47Å; H1194-I1230 PolarHBondContact N-O 3.16Å; H1194-I1230 PolarHBondContact O-N 2.97Å; Y1196-I1230 HydrophobicContact CD2-CD1 4.1Å; Y1196-I1230 HydrophobicContact CD2-CG1 4.24Å; Y1196-I1230 HydrophobicContact CE2-CB 4.47Å; Y1196-I1230 HydrophobicContact CE2-CD1 3.7Å; Y1196-I1230 HydrophobicContact CE2-CG1 4.03Å; K1228-I1230 HydrophobicContact CD-CD1 4.44Å; K1228-I1230 HydrophobicContact CG-CG1 4.35Å |
| 1231 | A | 89.5 | Confident | 84.4 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 141.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | R1158 L1159 Y1161 L1176 I1192 F1193 | R1158-A1231 WeakPolarHBondContact CA-O 3.36Å; L1159-A1231 HydrophobicContact CB-CB 4.42Å; L1159-A1231 PolarHBondContact N-O 2.83Å; L1159-A1231 PolarHBondContact O-N 3.06Å; Y1161-A1231 HydrophobicContact CE2-CB 4.19Å; L1176-A1231 HydrophobicContact CD2-CB 4.48Å; I1192-A1231 WeakPolarHBondContact O-CA 3.07Å; F1193-A1231 HydrophobicContact CB-CB 4.17Å |
| 1232 | Q | 87.2 | Confident | 83.4 | Confident | 45 Ų | 45 | 34.6 Ų | 34.6 | 21% | 0.21 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 112.3 | 176.8 | -172.8 | 174 | -54.9 | 0 | 0 | 110.9 | A1156 L1157 I1192 | A1156-Q1232 HydrophobicContact CB-CG 4.05Å; L1157-Q1232 WeakPolarHBondContact O-CA 3.47Å; I1192-Q1232 PolarHBondContact N-O 3.2Å; I1192-Q1232 PolarHBondContact O-N 3.49Å |
| 1233 | I | 86.8 | Confident | 82 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123.4 | -174.2 | -57.9 | 163.9 | 0 | 0 | 0 | 108.5 | A1156 L1157 L1159 L1179 Y1188 I1190 H1191 L1241 V1392 | A1156-I1233 CarbonylContact C-O 3.57Å; A1156-I1233 WeakPolarHBondContact CA-O 3.48Å; L1157-I1233 PolarHBondContact N-O 3.18Å; L1157-I1233 PolarHBondContact O-N 3.08Å; L1159-I1233 HydrophobicContact CD1-CD1 4.19Å; L1179-I1233 HydrophobicContact CD1-CD1 3.59Å; L1179-I1233 HydrophobicContact CD1-CG1 4.01Å; Y1188-I1233 HydrophobicContact CD1-CG2 3.66Å; Y1188-I1233 HydrophobicContact CE1-CG2 4.34Å; Y1188-I1233 HydrophobicContact CG-CG2 3.87Å; I1190-I1233 WeakPolarHBondContact O-CA 3.49Å; H1191-I1233 HydrophobicContact CB-CG1 4.31Å; I1233-L1241 HydrophobicContact CG2-CD2 4.07Å; I1233-V1392 HydrophobicContact CD1-CG1 3.88Å |
| 1234 | C | 84.5 | Confident | 80 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 140.4 | -168 | -57.3 | 0 | 0 | 0 | 0 | 114.1 | Y1155 A1156 S1189 I1190 | Y1155-C1234 CarbonylContact O-C 3.57Å; Y1155-C1234 VanDerWaalsContact O-CA 3.24Å; Y1155-C1234 WeakPolarHBondContact O-CA 3.31Å; A1156-C1234 VanDerWaalsContact CB-SG 3.57Å; S1189-C1234 WeakPolarHBondContact CB-O 3.42Å; S1189-C1234 PolarHBondContact N-O 2.99Å; S1189-C1234 PolarHBondContact OG-O 2.9Å; I1190-C1234 HydrophobicContact CB-CB 3.95Å; I1190-C1234 HydrophobicContact CD1-CB 3.78Å; I1190-C1234 HydrophobicContact CG1-CB 3.93Å; I1190-C1234 PolarHBondContact O-N 3.01Å |
| 1235 | H | 83.8 | Confident | 77.8 | Confident | 15 Ų | 15 | 42.6 Ų | 42.6 | 7% | 0.069 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 146.1 | -176.5 | -167.2 | -100.6 | 0 | 0 | 0 | 111.5 | R422 Y1155 D1187 Y1188 S1189 S1237 S1240 L1241 | R422-H1235 VanDerWaalsContact CZ-NE2 3.34Å; R422-H1235 PolarHBondContact NE-CD2 3.49Å; R422-H1235 PolarHBondContact NE-NE2 2.74Å; R422-H1235 PolarHBondContact NH2-CD2 2.89Å; R422-H1235 PolarHBondContact NH2-NE2 2.81Å; Y1155-H1235 PolarHBondContact N-O 2.84Å; Y1155-H1235 PolarHBondContact O-N 3.3Å; D1187-H1235 PolarHBondContact O-CD2 2.91Å; D1187-H1235 VanDerWaalsContact O-CD2 3.28Å; Y1188-H1235 HydrophobicContact CD1-CB 4.43Å; S1189-H1235 WeakPolarHBondContact OG-CA 3.45Å; H1235-S1237 VanDerWaalsContact C-N 3.26Å; H1235-S1237 PolarHBondContact ND1-N 3.2Å; H1235-S1237 VanDerWaalsContact ND1-N 3.1Å; H1235-S1237 PolarHBondContact ND1-O 3.06Å; H1235-S1237 PolarHBondContact O-N 3.36Å; H1235-S1240 WeakPolarHBondContact CE1-CB 3.45Å; H1235-S1240 PolarHBondContact CE1-OG 3.38Å; H1235-S1240 WeakPolarHBondContact ND1-CB 3.18Å; H1235-L1241 HydrophobicContact CB-CD1 4.03Å; H1235-L1241 HydrophobicContact CB-CD2 3.9Å; H1235-L1241 HydrophobicContact CB-CG 3.83Å |
| 1236 | E | 77.4 | Confident | 75.5 | Confident | 43 Ų | 43 | 42.6 Ų | 42.6 | 20% | 0.201 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -63.4 | -29.9 | 177.5 | -73.6 | 128.1 | -134.8 | 0 | 0 | 113.9 | R422 Y426 L1148 Y1155 | R422-E1236 IonicContact CZ-OE1 2.99Å; R422-E1236 IonicContact CZ-OE2 3.48Å; R422-E1236 IonicContact NH1-OE1 2.68Å; R422-E1236 PolarHBondContact NH1-OE1 2.93Å; R422-E1236 IonicContact NH1-OE2 3.88Å; R422-E1236 IonicContact NH2-OE1 3.13Å; R422-E1236 PolarHBondContact NH2-OE1 3.14Å; R422-E1236 IonicContact NH2-OE2 2.77Å; R422-E1236 PolarHBondContact NH2-OE2 2.76Å; Y426-E1236 WeakPolarHBondContact CE2-OE1 3.21Å; Y426-E1236 VanDerWaalsContact OH-CD 3.24Å; Y426-E1236 PolarHBondContact OH-OE1 2.82Å; L1148-E1236 HydrophobicContact CD1-CG 3.36Å; L1148-E1236 WeakPolarHBondContact CD1-OE1 3.45Å; Y1155-E1236 VanDerWaalsContact CD2-O 3.24Å; Y1155-E1236 WeakPolarHBondContact CD2-O 3.26Å; Y1155-E1236 VanDerWaalsContact CE2-O 3.25Å; Y1155-E1236 WeakPolarHBondContact CE2-O 3.42Å |
| 1237 | S | 77.9 | Confident | 72.5 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | trans | -112.9 | 104.6 | -173.1 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | H1235 P1239 S1240 K1911 | H1235-S1237 VanDerWaalsContact C-N 3.26Å; H1235-S1237 PolarHBondContact ND1-N 3.2Å; H1235-S1237 VanDerWaalsContact ND1-N 3.1Å; H1235-S1237 PolarHBondContact ND1-O 3.06Å; H1235-S1237 PolarHBondContact O-N 3.36Å; S1237-P1239 VanDerWaalsContact C-CD 3.42Å; S1237-P1239 VanDerWaalsContact C-N 3.29Å; S1237-S1240 PolarHBondContact O-N 2.82Å; S1237-K1911 PolarHBondContact OG-NZ 3.27Å | ||
| 1238 | G | 73.4 | Confident | 69.4 | Low | 8 Ų | 8 | 49.2 Ų | 49.2 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -50.7 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | S1240 L1241 K1242 | G1238-S1240 PolarHBondContact O-N 2.77Å; G1238-L1241 WeakPolarHBondContact O-CB 3.23Å; G1238-L1241 PolarHBondContact O-N 3.09Å; G1238-K1242 PolarHBondContact O-N 2.84Å |
| 1239 | P | 73.8 | Confident | 66.2 | Low | 74 Ų | 74 | 50.6 Ų | 50.6 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -58 | -24.4 | 173.4 | -30.1 | 37.4 | 0 | 0 | 0 | 115.8 | S1237 L1241 K1242 | S1237-P1239 VanDerWaalsContact C-CD 3.42Å; S1237-P1239 VanDerWaalsContact C-N 3.29Å; P1239-L1241 VanDerWaalsContact C-N 3.31Å; P1239-K1242 PolarHBondContact O-N 3.45Å |
| 1240 | S | 71.7 | Confident | 62.9 | Low | 18 Ų | 18 | 55.6 Ų | 55.6 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -78.7 | -15.1 | 173.6 | -60.7 | 0 | 0 | 0 | 0 | 113.5 | H1235 S1237 G1238 | H1235-S1240 WeakPolarHBondContact CE1-CB 3.45Å; H1235-S1240 PolarHBondContact CE1-OG 3.38Å; H1235-S1240 WeakPolarHBondContact ND1-CB 3.18Å; S1237-S1240 PolarHBondContact O-N 2.82Å; G1238-S1240 PolarHBondContact O-N 2.77Å |
| 1241 | L | 74.4 | Confident | 59.7 | Low | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -6.8 | 171.3 | -61.1 | 173.2 | 0 | 0 | 0 | 112.2 | I1137 Y1155 L1157 Y1188 I1233 H1235 G1238 P1239 | I1137-L1241 HydrophobicContact CD1-CB 4.09Å; Y1155-L1241 WeakPolarHBondContact O-CD1 3.49Å; L1157-L1241 HydrophobicContact CB-CB 4.24Å; L1157-L1241 HydrophobicContact CB-CD1 4.29Å; L1157-L1241 HydrophobicContact CB-CD2 4.17Å; L1157-L1241 HydrophobicContact CB-CG 4.47Å; Y1188-L1241 HydrophobicContact CD1-CD2 4.08Å; Y1188-L1241 HydrophobicContact CE1-CD2 4.03Å; I1233-L1241 HydrophobicContact CG2-CD2 4.07Å; H1235-L1241 HydrophobicContact CB-CD1 4.03Å; H1235-L1241 HydrophobicContact CB-CD2 3.9Å; H1235-L1241 HydrophobicContact CB-CG 3.83Å; G1238-L1241 WeakPolarHBondContact O-CB 3.23Å; G1238-L1241 PolarHBondContact O-N 3.09Å; P1239-L1241 VanDerWaalsContact C-N 3.31Å |
| 1242 | K | 65.8 | Low | 56.5 | Low | 144 Ų | 144 | 63 Ų | 63 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | trans | -101.8 | 113.4 | 171.1 | -73.7 | -168.9 | 175.3 | -175 | 0 | 109.8 | I1137 G1238 P1239 | I1137-K1242 HydrophobicContact CD1-CD 4.39Å; I1137-K1242 HydrophobicContact CD1-CG 3.4Å; I1137-K1242 VanDerWaalsContact CD1-CG 3.4Å; G1238-K1242 PolarHBondContact O-N 2.84Å; P1239-K1242 PolarHBondContact O-N 3.45Å | ||
| 1243 | R | 57.3 | Low | 53.5 | Low | 98 Ų | 98 | 65.7 Ų | 65.7 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | trans | -118.2 | 133.2 | 158.6 | -158.1 | 171.9 | -170.5 | 164.9 | -5.6 | 107.3 | I1246 R1391 V1392 | R1243-I1246 VanDerWaalsContact NE-CD1 3.3Å; R1243-I1246 VanDerWaalsContact NH2-CD1 3.32Å; R1243-R1391 HydrophobicContact CB-CB 4.23Å; R1243-R1391 WeakPolarHBondContact CD-O 3.3Å; R1243-R1391 HydrophobicContact CG-CB 4.31Å; R1243-R1391 PolarHBondContact NH1-O 3.41Å; R1243-V1392 WeakPolarHBondContact CB-O 3.45Å | ||
| 1244 | E | 41 | Very low | 50.5 | Low | 118 Ų | 118 | 69 Ų | 69 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | trans | -64.9 | 156.3 | 170 | -62.9 | -159.5 | 142.1 | 0 | 0 | 109.3 | I1246 | E1244-I1246 VanDerWaalsContact C-N 3.26Å; E1244-I1246 PolarHBondContact O-N 3.1Å | ||
| 1245 | P | 38.5 | Very low | 47.6 | Very low | 87 Ų | 87 | 74.7 Ų | 74.7 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | trans | -69.8 | 86.5 | 179 | 28.6 | -34.3 | 0 | 0 | 0 | 109.9 | K1247 Y1395 | P1245-K1247 PolarHBondContact O-N 2.91Å; P1245-Y1395 HydrophobicContact CB-CD2 4Å; P1245-Y1395 HydrophobicContact CB-CE2 3.82Å; P1245-Y1395 HydrophobicContact CG-CE2 4.22Å | ||
| 1246 | I | 39.7 | Very low | 44.9 | Very low | 29 Ų | 29 | 77.4 Ų | 77.4 | 15% | 0.149 | 46% | 0.459 | C | S | . | . | trans | -48.7 | 111.9 | 162.1 | -66.6 | -179.5 | 0 | 0 | 0 | 106.5 | R1243 E1244 L1249 E2160 | R1243-I1246 VanDerWaalsContact NE-CD1 3.3Å; R1243-I1246 VanDerWaalsContact NH2-CD1 3.32Å; E1244-I1246 VanDerWaalsContact C-N 3.26Å; E1244-I1246 PolarHBondContact O-N 3.1Å; I1246-L1249 HydrophobicContact CG2-CD1 4.3Å; I1246-E2160 WeakPolarHBondContact CD1-OE2 3.5Å; I1246-E2160 HydrophobicContact CG1-CG 4.4Å; I1246-E2160 VanDerWaalsContact CG1-OE1 3.25Å; I1246-E2160 WeakPolarHBondContact CG1-OE1 3.38Å | ||
| 1247 | K | 29.2 | Very low | 42.3 | Very low | 115 Ų | 115 | 80.9 Ų | 80.9 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | trans | -39.2 | 116 | 172.1 | -159 | -169.6 | -170.8 | -166.9 | 0 | 105.6 | P1245 L1249 D2126 L2159 | P1245-K1247 PolarHBondContact O-N 2.91Å; K1247-L1249 PolarHBondContact O-N 2.85Å; K1247-L1249 VanDerWaalsContact O-N 3.1Å; K1247-D2126 IonicContact NZ-OD1 2.78Å; K1247-D2126 PolarHBondContact NZ-OD1 2.81Å; K1247-D2126 IonicContact NZ-OD2 3.21Å; K1247-D2126 PolarHBondContact NZ-OD2 3.31Å; K1247-L2159 HydrophobicContact CB-CD2 3.81Å; K1247-L2159 HydrophobicContact CD-CD2 3.22Å; K1247-L2159 HydrophobicContact CG-CD2 4.17Å | ||
| 1248 | P | 27.9 | Very low | 39.9 | Very low | 114 Ų | 114 | 86.7 Ų | 86.7 | 74% | 0.74 | 51% | 0.51 | S | S | * | . | trans | -54.7 | 127.2 | -164.1 | 20.8 | -32.9 | 0 | 0 | 0 | 108.1 | S1250 | P1248-S1250 PolarHBondContact O-N 2.98Š| ||
| 1249 | L | 24.9 | Very low | 37.5 | Very low | 115 Ų | 115 | 92.7 Ų | 92.7 | 60% | 0.602 | 54% | 0.539 | S | S | * | . | trans | -62.1 | 98.7 | 167.5 | -91.5 | 96.4 | 0 | 0 | 0 | 105.9 | I1246 K1247 V1251 | I1246-L1249 HydrophobicContact CG2-CD1 4.3Å; K1247-L1249 PolarHBondContact O-N 2.85Å; K1247-L1249 VanDerWaalsContact O-N 3.1Å; L1249-V1251 PolarHBondContact O-N 2.85Å | ||
| 1250 | S | 25.1 | Very low | 35.2 | Very low | 106 Ų | 106 | 94 Ų | 94 | 74% | 0.741 | 55% | 0.55 | S | S | * | . | trans | -60.7 | 84 | 156.2 | 52.4 | 0 | 0 | 0 | 0 | 105.7 | P1248 P1252 | P1248-S1250 PolarHBondContact O-N 2.98Å; S1250-P1252 WeakPolarHBondContact O-CD 3.49Å | ||
| 1251 | V | 23.6 | Very low | 33 | Very low | 117 Ų | 117 | 100.2 Ų | 100.2 | 71% | 0.709 | 57% | 0.572 | S | S | * | * | trans | -51.1 | 111.8 | 157.1 | 176.1 | 0 | 0 | 0 | 0 | 103.8 | L1249 C1253 | L1249-V1251 PolarHBondContact O-N 2.85Å; V1251-C1253 PolarHBondContact O-N 2.86Å | ||
| 1252 | P | 23.4 | Very low | 30.6 | Very low | 67 Ų | 67 | 108.1 Ų | 108.1 | 44% | 0.435 | 61% | 0.61 | S | S | . | * | trans | -66.6 | 112.8 | 176.8 | 27.3 | -30.2 | 0 | 0 | 0 | 105.5 | S1250 S1254 | S1250-P1252 WeakPolarHBondContact O-CD 3.49Å; P1252-S1254 PolarHBondContact O-N 3.02Å | ||
| 1253 | C | 23.7 | Very low | 28.7 | Very low | 102 Ų | 102 | 105.8 Ų | 105.8 | 69% | 0.689 | 60% | 0.604 | S | S | * | * | trans | -60.2 | 85.5 | 146.5 | -80.8 | 0 | 0 | 0 | 0 | 105.5 | V1251 P1255 | V1251-C1253 PolarHBondContact O-N 2.86Å; C1253-P1255 WeakPolarHBondContact O-CD 3.47Å; C1253-P1255 VanDerWaalsContact O-N 3.16Å | ||
| 1254 | S | 23.1 | Very low | 27.2 | Very low | 68 Ų | 68 | 105 Ų | 105 | 48% | 0.476 | 61% | 0.614 | S | S | . | * | trans | -59.3 | 117.5 | 167.9 | 35.2 | 0 | 0 | 0 | 0 | 106.1 | P1252 G1256 | P1252-S1254 PolarHBondContact O-N 3.02Å; S1254-G1256 PolarHBondContact O-N 2.97Å | ||
| 1255 | P | 24.6 | Very low | 26.5 | Very low | 120 Ų | 120 | 106 Ų | 106 | 78% | 0.779 | 62% | 0.619 | S | S | * | * | trans | -53.8 | 132.9 | 172.2 | 24.8 | -33.6 | 0 | 0 | 0 | 106.8 | C1253 T1257 | C1253-P1255 WeakPolarHBondContact O-CD 3.47Å; C1253-P1255 VanDerWaalsContact O-N 3.16Å; P1255-T1257 PolarHBondContact O-N 3.5Å | ||
| 1256 | G | 25.8 | Very low | 25.9 | Very low | 73 Ų | 73 | 111.5 Ų | 111.5 | 75% | 0.753 | 63% | 0.629 | S | S | * | * | trans | -44.9 | 105.2 | -153.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1254 E1258 | S1254-G1256 PolarHBondContact O-N 2.97Å; G1256-E1258 VanDerWaalsContact C-N 3.26Å; G1256-E1258 PolarHBondContact O-N 3.05Å | ||
| 1257 | T | 24.4 | Very low | 25.3 | Very low | 116 Ų | 116 | 117 Ų | 117 | 71% | 0.712 | 65% | 0.652 | S | S | * | * | trans | -68.5 | 99 | 163.2 | 17.1 | 0 | 0 | 0 | 0 | 104.7 | P1255 L1259 | P1255-T1257 PolarHBondContact O-N 3.5Å; T1257-L1259 PolarHBondContact O-N 3.12Å | ||
| 1258 | E | 26.6 | Very low | 25.2 | Very low | 132 Ų | 132 | 118 Ų | 118 | 62% | 0.617 | 66% | 0.663 | S | S | * | * | trans | -48.6 | 116.4 | 176 | -72 | -171.4 | 133.3 | 0 | 0 | 107.3 | R1105 G1256 S1260 | R1105-E1258 IonicContact CZ-OE1 2.84Å; R1105-E1258 IonicContact NH1-OE1 2.68Å; R1105-E1258 PolarHBondContact NH1-OE1 3.38Å; G1256-E1258 VanDerWaalsContact C-N 3.26Å; G1256-E1258 PolarHBondContact O-N 3.05Å; E1258-S1260 PolarHBondContact O-N 3.17Å; E1258-S1260 PolarHBondContact O-OG 3.28Å | ||
| 1259 | L | 23.4 | Very low | 25.3 | Very low | 134 Ų | 134 | 116.9 Ų | 116.9 | 70% | 0.702 | 66% | 0.663 | S | S | * | * | trans | -63.6 | 85.6 | 162.1 | -93.8 | 166.5 | 0 | 0 | 0 | 105.3 | T1257 Y1261 | T1257-L1259 PolarHBondContact O-N 3.12Å; L1259-Y1261 WeakPolarHBondContact O-CD2 3.4Å; L1259-Y1261 PolarHBondContact O-N 3.48Å | ||
| 1260 | S | 24.5 | Very low | 25.5 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | trans | -60.4 | 85.7 | 165.1 | 29 | 0 | 0 | 0 | 0 | 105.5 | E1258 M1262 | E1258-S1260 PolarHBondContact O-N 3.17Å; E1258-S1260 PolarHBondContact O-OG 3.28Å; S1260-M1262 PolarHBondContact O-N 3Å | ||
| 1261 | Y | 26.1 | Very low | 25.6 | Very low | 150 Ų | 150 | 119.1 Ų | 119.1 | 59% | 0.588 | 68% | 0.676 | S | S | * | * | trans | -52.5 | 100 | 160.1 | -85.4 | -89.6 | 0 | 0 | 0 | 105.6 | L1259 L1263 | L1259-Y1261 WeakPolarHBondContact O-CD2 3.4Å; L1259-Y1261 PolarHBondContact O-N 3.48Å; Y1261-L1263 PolarHBondContact O-N 3.49Å | ||
| 1262 | M | 23.2 | Very low | 25.8 | Very low | 165 Ų | 165 | 119.9 Ų | 119.9 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | trans | -61.8 | 74.4 | 150.1 | -72.6 | -69.9 | -67.4 | 0 | 0 | 106.5 | S1260 S1264 | S1260-M1262 PolarHBondContact O-N 3Å; M1262-S1264 PolarHBondContact O-N 2.76Å | ||
| 1263 | L | 26.2 | Very low | 26.1 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 50% | 0.503 | 70% | 0.7 | S | S | . | * | trans | -44.4 | 93.7 | 132.8 | -86.3 | 159.4 | 0 | 0 | 0 | 104.9 | Y1261 E1265 | Y1261-L1263 PolarHBondContact O-N 3.49Å; L1263-E1265 VanDerWaalsContact C-N 3.25Å; L1263-E1265 PolarHBondContact O-N 3.5Å | ||
| 1264 | S | 26.1 | Very low | 26.3 | Very low | 81 Ų | 81 | 123.4 Ų | 123.4 | 57% | 0.566 | 70% | 0.702 | S | S | * | * | trans | -63 | 95.6 | 175.1 | 52.7 | 0 | 0 | 0 | 0 | 106.2 | M1262 Y1266 | M1262-S1264 PolarHBondContact O-N 2.76Å; S1264-Y1266 PolarHBondContact O-N 2.73Å | ||
| 1265 | E | 26.8 | Very low | 26.5 | Very low | 140 Ų | 140 | 127 Ų | 127 | 65% | 0.654 | 72% | 0.716 | S | S | * | * | trans | -53.8 | 112 | 176.5 | -74 | -164.5 | 118.8 | 0 | 0 | 107.9 | L1263 K1267 | L1263-E1265 VanDerWaalsContact C-N 3.25Å; L1263-E1265 PolarHBondContact O-N 3.5Å; E1265-K1267 HydrophobicContact CB-CD 4.34Å; E1265-K1267 HydrophobicContact CB-CG 4.23Å; E1265-K1267 VanDerWaalsContact CD-CE 3.46Å; E1265-K1267 PolarHBondContact O-N 3.12Å; E1265-K1267 WeakPolarHBondContact OE1-CE 3.49Å; E1265-K1267 IonicContact OE1-NZ 3.18Å; E1265-K1267 PolarHBondContact OE1-NZ 3.46Å; E1265-K1267 WeakPolarHBondContact OE2-CD 3.39Å; E1265-K1267 VanDerWaalsContact OE2-CE 3.3Å; E1265-K1267 WeakPolarHBondContact OE2-CE 3.22Å; E1265-K1267 IonicContact OE2-NZ 3.19Å; E1265-K1267 PolarHBondContact OE2-NZ 2.84Å | ||
| 1266 | Y | 25.9 | Very low | 26.7 | Very low | 201 Ų | 201 | 126.4 Ų | 126.4 | 79% | 0.788 | 72% | 0.715 | S | S | * | * | trans | -73.1 | 55.2 | 171 | -105.1 | -87.2 | 0 | 0 | 0 | 109.9 | S1264 N1268 | S1264-Y1266 PolarHBondContact O-N 2.73Å; Y1266-N1268 PolarHBondContact O-N 3.17Å | ||
| 1267 | K | 27 | Very low | 27 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 63% | 0.63 | 71% | 0.707 | S | S | * | * | trans | -76.9 | 56.1 | 167.5 | -78.3 | 176.4 | -178.4 | 157.9 | 0 | 109.9 | E1265 A1269 | E1265-K1267 HydrophobicContact CB-CD 4.34Å; E1265-K1267 HydrophobicContact CB-CG 4.23Å; E1265-K1267 VanDerWaalsContact CD-CE 3.46Å; E1265-K1267 PolarHBondContact O-N 3.12Å; E1265-K1267 WeakPolarHBondContact OE1-CE 3.49Å; E1265-K1267 IonicContact OE1-NZ 3.18Å; E1265-K1267 PolarHBondContact OE1-NZ 3.46Å; E1265-K1267 WeakPolarHBondContact OE2-CD 3.39Å; E1265-K1267 VanDerWaalsContact OE2-CE 3.3Å; E1265-K1267 WeakPolarHBondContact OE2-CE 3.22Å; E1265-K1267 IonicContact OE2-NZ 3.19Å; E1265-K1267 PolarHBondContact OE2-NZ 2.84Å; K1267-A1269 PolarHBondContact O-N 3.44Å | ||
| 1268 | N | 27.7 | Very low | 27.3 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | -71.8 | 70 | 157.3 | -81.4 | -2.5 | 0 | 0 | 0 | 108 | Y1266 D1270 | Y1266-N1268 PolarHBondContact O-N 3.17Å; N1268-D1270 PolarHBondContact O-N 3.49Å; N1268-D1270 VanDerWaalsContact O-N 3.07Å | ||
| 1269 | A | 28.4 | Very low | 27.8 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 74% | 0.736 | 69% | 0.692 | S | S | * | * | trans | -82.2 | 71.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | K1267 | K1267-A1269 PolarHBondContact O-N 3.44Š| ||
| 1270 | D | 30.2 | Very low | 28.3 | Very low | 152 Ų | 152 | 125 Ų | 125 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -159.8 | 150.2 | 136.1 | -122.4 | -31.2 | 0 | 0 | 0 | 115.4 | N1268 | N1268-D1270 PolarHBondContact O-N 3.49Å; N1268-D1270 VanDerWaalsContact O-N 3.07Å |
| 1271 | S | 28 | Very low | 28.9 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 81% | 0.811 | 68% | 0.675 | S | S | * | * | trans | 62.5 | 114.5 | 178.8 | 72.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1272 | T | 26.3 | Very low | 29.7 | Very low | 133 Ų | 133 | 117.9 Ų | 117.9 | 82% | 0.816 | 65% | 0.653 | S | S | * | * | trans | -82 | 125.9 | 177.2 | 52.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 1273 | A | 30.3 | Very low | 30.6 | Very low | 100 Ų | 100 | 113.7 Ų | 113.7 | 83% | 0.826 | 64% | 0.64 | S | S | * | * | trans | -128.4 | 135.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | N1275 | A1273-N1275 PolarHBondContact O-N 2.96Š| ||
| 1274 | I | 27.9 | Very low | 31.6 | Very low | 143 Ų | 143 | 111.8 Ų | 111.8 | 73% | 0.733 | 63% | 0.63 | S | S | * | * | trans | -79 | 122.8 | -171.1 | -61.9 | 166.5 | 0 | 0 | 0 | 110 | ||||
| 1275 | N | 27.8 | Very low | 32.7 | Very low | 143 Ų | 143 | 109.4 Ų | 109.4 | 77% | 0.765 | 61% | 0.61 | S | S | * | * | trans | -136 | 92.6 | 150.4 | -107.3 | -16.6 | 0 | 0 | 0 | 109 | A1273 T1277 | A1273-N1275 PolarHBondContact O-N 2.96Å; N1275-T1277 PolarHBondContact O-N 3.2Å | ||
| 1276 | S | 29.4 | Very low | 33.9 | Very low | 109 Ų | 109 | 106.4 Ų | 106.4 | 76% | 0.762 | 60% | 0.598 | S | S | * | * | trans | -78.6 | 63.7 | -177.5 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1277 | T | 31.9 | Very low | 35.3 | Very low | 93 Ų | 93 | 100 Ų | 100 | 57% | 0.571 | 58% | 0.58 | S | S | * | * | trans | -139.6 | 34.1 | -174.7 | 63.9 | 0 | 0 | 0 | 0 | 113.7 | N1275 | N1275-T1277 PolarHBondContact O-N 3.2Š| ||
| 1278 | W | 30.3 | Very low | 37.2 | Very low | 185 Ų | 185 | 95.5 Ų | 95.5 | 70% | 0.701 | 57% | 0.565 | S | S | * | * | trans | -112.5 | 110.4 | 158.6 | -78.6 | 57.7 | 0 | 0 | 0 | 107.4 | Q1282 | W1278-Q1282 HydrophobicContact CD2-CB 4.37Å; W1278-Q1282 HydrophobicContact CE3-CB 3.9Å | ||
| 1279 | S | 36.4 | Very low | 39.2 | Very low | 47 Ų | 47 | 91.1 Ų | 91.1 | 33% | 0.329 | 54% | 0.542 | S | S | . | . | trans | -68.6 | 159.8 | 174.4 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | L1281 Q1282 S1283 | S1279-L1281 PolarHBondContact O-N 3.27Å; S1279-L1281 VanDerWaalsContact O-N 3.16Å; S1279-Q1282 PolarHBondContact O-N 2.96Å; S1279-Q1282 PolarHBondContact OG-N 2.93Å; S1279-Q1282 PolarHBondContact OG-OE1 3.37Å; S1279-S1283 PolarHBondContact O-N 3.01Å | ||
| 1280 | P | 34.4 | Very low | 41.4 | Very low | 100 Ų | 100 | 90 Ų | 90 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -53.3 | -33.1 | 170.7 | -28.1 | 36.5 | 0 | 0 | 0 | 113.2 | S1283 L1284 | P1280-S1283 PolarHBondContact O-N 3.26Å; P1280-L1284 PolarHBondContact O-N 2.91Å; P1280-L1284 VanDerWaalsContact O-N 3.09Å |
| 1281 | L | 37.7 | Very low | 43.7 | Very low | 75 Ų | 75 | 82.9 Ų | 82.9 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.4 | -48.5 | 171.5 | -89.8 | 76.3 | 0 | 0 | 0 | 112.2 | S1279 S1283 L1284 Q1285 | S1279-L1281 PolarHBondContact O-N 3.27Å; S1279-L1281 VanDerWaalsContact O-N 3.16Å; L1281-S1283 VanDerWaalsContact C-N 3.25Å; L1281-S1283 PolarHBondContact O-N 2.9Å; L1281-L1284 PolarHBondContact O-N 2.97Å; L1281-L1284 VanDerWaalsContact O-N 3.09Å; L1281-Q1285 WeakPolarHBondContact O-CB 3.46Å; L1281-Q1285 WeakPolarHBondContact O-CG 3.5Å; L1281-Q1285 PolarHBondContact O-N 3.45Å |
| 1282 | Q | 42.1 | Very low | 46 | Very low | 26 Ų | 26 | 78 Ų | 78 | 12% | 0.121 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68.1 | -24.5 | -177.8 | -74.1 | 162.5 | -58 | 0 | 0 | 113.2 | F947 W1278 S1279 N1286 | F947-Q1282 HydrophobicContact CD1-CG 3.9Å; F947-Q1282 HydrophobicContact CE1-CG 4.18Å; F947-Q1282 HydrophobicContact CG-CG 4.49Å; W1278-Q1282 HydrophobicContact CD2-CB 4.37Å; W1278-Q1282 HydrophobicContact CE3-CB 3.9Å; S1279-Q1282 PolarHBondContact O-N 2.96Å; S1279-Q1282 PolarHBondContact OG-N 2.93Å; S1279-Q1282 PolarHBondContact OG-OE1 3.37Å; Q1282-N1286 PolarHBondContact O-ND2 2.72Å |
| 1283 | S | 41.6 | Very low | 48.7 | Very low | 76 Ų | 76 | 71.8 Ų | 71.8 | 53% | 0.531 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -75.2 | -38.8 | 169.7 | -160.5 | 0 | 0 | 0 | 0 | 112 | S1279 P1280 L1281 | S1279-S1283 PolarHBondContact O-N 3.01Å; P1280-S1283 PolarHBondContact O-N 3.26Å; L1281-S1283 VanDerWaalsContact C-N 3.25Å; L1281-S1283 PolarHBondContact O-N 2.9Å |
| 1284 | L | 47.1 | Very low | 50.8 | Low | 57 Ų | 57 | 71.2 Ų | 71.2 | 30% | 0.298 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69 | -39.6 | 177 | -77.8 | 163.4 | 0 | 0 | 0 | 112.8 | P1280 L1281 N1286 T1287 | P1280-L1284 PolarHBondContact O-N 2.91Å; P1280-L1284 VanDerWaalsContact O-N 3.09Å; L1281-L1284 PolarHBondContact O-N 2.97Å; L1281-L1284 VanDerWaalsContact O-N 3.09Å; L1284-N1286 PolarHBondContact O-N 2.76Å; L1284-T1287 PolarHBondContact O-N 3.06Å; L1284-T1287 PolarHBondContact O-OG1 2.65Å |
| 1285 | Q | 50.3 | Low | 52.9 | Low | 30 Ų | 30 | 66.6 Ų | 66.6 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -13.9 | 177.3 | -79.2 | 172.8 | -39.6 | 0 | 0 | 114.5 | F1112 L1281 | F1112-Q1285 PolarHBondContact O-NE2 2.8Å; L1281-Q1285 WeakPolarHBondContact O-CB 3.46Å; L1281-Q1285 WeakPolarHBondContact O-CG 3.5Å; L1281-Q1285 PolarHBondContact O-N 3.45Å |
| 1286 | N | 51.6 | Low | 54.4 | Low | 78 Ų | 78 | 62 Ų | 62 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -2.8 | -176.3 | -71.6 | -71.9 | 0 | 0 | 0 | 114.4 | Q1282 L1284 | Q1282-N1286 PolarHBondContact O-ND2 2.72Å; L1284-N1286 PolarHBondContact O-N 2.76Å |
| 1287 | T | 56.1 | Low | 55.4 | Low | 66 Ų | 66 | 59.2 Ų | 59.2 | 41% | 0.405 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -118.6 | 120.2 | 178.2 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | L1284 | L1284-T1287 PolarHBondContact O-N 3.06Å; L1284-T1287 PolarHBondContact O-OG1 2.65Å |
| 1288 | P | 65.8 | Low | 55.9 | Low | 50 Ų | 50 | 57.3 Ų | 57.3 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | trans | -67.1 | 136 | 178 | 28.3 | -33.7 | 0 | 0 | 0 | 111.1 | L1108 L1290 | L1108-P1288 CarbonylContact O-C 3.16Å; L1108-P1288 VanDerWaalsContact O-CA 3.29Å; L1108-P1288 WeakPolarHBondContact O-CA 3.46Å; P1288-L1290 PolarHBondContact O-N 3.02Å | ||
| 1289 | I | 70.9 | Confident | 56.2 | Low | 46 Ų | 46 | 55.5 Ų | 55.5 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 120.6 | 173.6 | -62.2 | 175.8 | 0 | 0 | 0 | 107.9 | L1108 I1117 V1291 | L1108-I1289 PolarHBondContact N-O 2.82Å; L1108-I1289 PolarHBondContact O-N 2.84Å; I1117-I1289 HydrophobicContact CD1-CD1 4.42Å; I1117-I1289 HydrophobicContact CD1-CG2 4.31Å; I1289-V1291 PolarHBondContact O-N 2.88Å |
| 1290 | L | 74.2 | Confident | 56 | Low | 66 Ų | 66 | 61 Ų | 61 | 35% | 0.346 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 108.7 | 174.5 | -163.8 | 74.6 | 0 | 0 | 0 | 110 | R1105 P1288 | R1105-L1290 HydrophobicContact CB-CD1 4.22Å; P1288-L1290 PolarHBondContact O-N 3.02Å |
| 1291 | V | 78.3 | Confident | 55.8 | Low | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 122.3 | 165.4 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | I1106 L1108 I1117 P1119 I1289 F1321 | I1106-V1291 PolarHBondContact N-O 2.99Å; I1106-V1291 PolarHBondContact O-N 2.94Å; L1108-V1291 HydrophobicContact CD1-CG2 3.65Å; L1108-V1291 HydrophobicContact CG-CG2 4.09Å; I1117-V1291 HydrophobicContact CD1-CG2 4.46Å; P1119-V1291 HydrophobicContact CG-CG1 4.43Å; I1289-V1291 PolarHBondContact O-N 2.88Å; V1291-F1321 HydrophobicContact CG1-CD1 4.17Å |
| 1292 | S | 77 | Confident | 55.4 | Low | 14 Ų | 14 | 65.6 Ų | 65.6 | 10% | 0.098 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.7 | 176 | -54.9 | 0 | 0 | 0 | 0 | 109.9 | C1104 S1322 | C1104-S1292 WeakPolarHBondContact O-CA 3.49Å; S1292-S1322 WeakPolarHBondContact CB-OG 3.34Å; S1292-S1322 PolarHBondContact N-O 2.81Å; S1292-S1322 PolarHBondContact O-N 2.72Å; S1292-S1322 PolarHBondContact O-OG 3.06Å |
| 1293 | F | 81.2 | Confident | 54.8 | Low | 1 Ų | 1 | 69.5 Ų | 69.5 | 0% | 0.004 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.4 | -179.7 | 60.1 | -84.6 | 0 | 0 | 0 | 112.3 | I1095 L1097 Y1103 C1104 I1106 I1121 F1319 E1320 F1321 I1423 F1439 | I1095-F1293 HydrophobicContact CG2-CZ 4.08Å; L1097-F1293 HydrophobicContact CD2-CD2 4.49Å; L1097-F1293 HydrophobicContact CD2-CE2 4.16Å; Y1103-F1293 CarbonylContact C-O 3.57Å; Y1103-F1293 WeakPolarHBondContact CA-O 3.31Å; C1104-F1293 HydrophobicContact CB-CD1 4.38Å; C1104-F1293 HydrophobicContact CB-CD2 4.24Å; C1104-F1293 HydrophobicContact CB-CE1 3.85Å; C1104-F1293 HydrophobicContact CB-CE2 3.7Å; C1104-F1293 HydrophobicContact CB-CZ 3.49Å; C1104-F1293 VanDerWaalsContact CB-CZ 3.49Å; C1104-F1293 PolarHBondContact N-O 3.05Å; C1104-F1293 PolarHBondContact O-N 2.87Å; I1106-F1293 HydrophobicContact CD1-CE1 3.7Å; I1106-F1293 HydrophobicContact CD1-CZ 4.26Å; I1106-F1293 HydrophobicContact CG1-CE1 4.09Å; I1121-F1293 HydrophobicContact CD1-CD2 3.93Å; I1121-F1293 HydrophobicContact CD1-CE2 3.87Å; I1121-F1293 HydrophobicContact CD1-CG 4.5Å; I1121-F1293 HydrophobicContact CD1-CZ 4.38Å; F1293-F1319 AromaticContact CD2-CD1 3.99Å; F1293-F1319 HydrophobicContact CD2-CD1 3.99Å; F1293-E1320 WeakPolarHBondContact CA-O 3.21Å; F1293-F1321 HydrophobicContact CB-CD1 3.65Å; F1293-F1321 HydrophobicContact CB-CE1 3.82Å; F1293-F1321 HydrophobicContact CB-CG 4.44Å; F1293-F1321 HydrophobicContact CD1-CD1 4.45Å; F1293-F1321 HydrophobicContact CD1-CE1 4.23Å; F1293-F1321 HydrophobicContact CG-CD1 4.28Å; F1293-F1321 HydrophobicContact CG-CE1 4.03Å; F1293-I1423 HydrophobicContact CE1-CD1 4.5Å; F1293-F1439 AromaticContact CE2-CE2 3.64Å; F1293-F1439 HydrophobicContact CE2-CE2 3.64Å; F1293-F1439 HydrophobicContact CE2-CZ 4Å; F1293-F1439 AromaticContact CZ-CE2 3.8Å; F1293-F1439 HydrophobicContact CZ-CE2 3.8Å |
| 1294 | R | 75.9 | Confident | 54.1 | Low | 88 Ų | 88 | 69.5 Ų | 69.5 | 33% | 0.332 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 157.6 | 176 | 63.3 | 170.8 | 173.9 | -164 | -0 | 110.9 | R1102 Y1103 F1319 E1320 | R1102-R1294 WeakPolarHBondContact O-CB 3.44Å; Y1103-R1294 HydrophobicContact CD1-CB 3.93Å; Y1103-R1294 HydrophobicContact CD1-CG 4.4Å; Y1103-R1294 HydrophobicContact CE1-CB 4.23Å; Y1103-R1294 HydrophobicContact CE1-CG 4.28Å; Y1103-R1294 PolarHBondContact OH-NH1 2.86Å; R1294-F1319 WeakPolarHBondContact O-CA 3.45Å; R1294-E1320 HydrophobicContact CG-CB 4.06Å; R1294-E1320 IonicContact CZ-OE2 3.19Å; R1294-E1320 PolarHBondContact N-O 3.09Å; R1294-E1320 IonicContact NE-OE2 2.97Å; R1294-E1320 PolarHBondContact NE-OE2 3.24Å; R1294-E1320 IonicContact NH2-OE1 2.66Å; R1294-E1320 PolarHBondContact NH2-OE1 3.18Å; R1294-E1320 IonicContact NH2-OE2 3.13Å; R1294-E1320 PolarHBondContact NH2-OE2 3.32Å; R1294-E1320 PolarHBondContact O-N 3.11Å; R1294-E1320 VanDerWaalsContact O-N 3.1Å |
| 1295 | L | 71.3 | Confident | 53.2 | Low | 46 Ų | 46 | 78.5 Ų | 78.5 | 24% | 0.241 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 133.3 | 158.3 | -62.3 | 109.4 | 0 | 0 | 0 | 108.3 | L1097 G1297 V1317 F1319 L1441 | L1097-L1295 HydrophobicContact CD2-CD1 3.62Å; L1097-L1295 HydrophobicContact CD2-CG 4.21Å; L1097-L1295 HydrophobicContact CG-CD1 4.15Å; L1295-G1297 PolarHBondContact O-N 3.14Å; L1295-V1317 HydrophobicContact CD2-CG1 3.99Å; L1295-F1319 HydrophobicContact CG-CE1 4.21Å; L1295-L1441 HydrophobicContact CD1-CD1 4.06Å; L1295-L1441 HydrophobicContact CD2-CD1 4.15Å; L1295-L1441 HydrophobicContact CD2-CD2 3.98Å |
| 1296 | T | 59.6 | Low | 52.2 | Low | 48 Ų | 48 | 87.2 Ų | 87.2 | 29% | 0.294 | 49% | 0.493 | S | S | . | . | trans | -65.4 | 126.7 | 168.1 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | G1298 Q1318 E1320 | T1296-G1298 VanDerWaalsContact C-N 3.31Å; T1296-G1298 PolarHBondContact O-N 3Å; T1296-Q1318 HydrophobicContact CG2-CB 3.79Å; T1296-Q1318 PolarHBondContact N-O 2.97Å; T1296-Q1318 PolarHBondContact OG1-O 3.49Å; T1296-E1320 HydrophobicContact CG2-CB 4.21Å | ||
| 1297 | G | 50 | Low | 51 | Low | 50 Ų | 50 | 87.4 Ų | 87.4 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | trans | -70.6 | 69.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1295 M1299 E1300 | L1295-G1297 PolarHBondContact O-N 3.14Å; G1297-M1299 PolarHBondContact O-N 3.13Å; G1297-E1300 PolarHBondContact O-N 2.95Å | ||
| 1298 | G | 42.3 | Very low | 49.7 | Very low | 53 Ų | 53 | 88 Ų | 88 | 55% | 0.546 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 2.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1296 | T1296-G1298 VanDerWaalsContact C-N 3.31Å; T1296-G1298 PolarHBondContact O-N 3Å |
| 1299 | M | 37.7 | Very low | 48 | Very low | 147 Ų | 147 | 91.4 Ų | 91.4 | 72% | 0.724 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | -11 | -179 | -67 | -176.9 | 70.8 | 0 | 0 | 114.7 | G1297 | G1297-M1299 PolarHBondContact O-N 3.13Š|
| 1300 | E | 31.7 | Very low | 46 | Very low | 163 Ų | 163 | 95.2 Ų | 95.2 | 76% | 0.762 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -96.9 | -6.1 | -177.5 | -67.4 | -170.3 | 127.8 | 0 | 0 | 114 | G1297 A1302 | G1297-E1300 PolarHBondContact O-N 2.95Å; E1300-A1302 PolarHBondContact O-N 2.89Å |
| 1301 | L | 30.1 | Very low | 43.9 | Very low | 171 Ų | 171 | 100 Ų | 100 | 90% | 0.895 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 21.5 | -178 | -101.5 | 163.7 | 0 | 0 | 0 | 115.1 | ||
| 1302 | A | 28.7 | Very low | 41.4 | Very low | 99 Ų | 99 | 107.2 Ų | 107.2 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -3.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E1300 | E1300-A1302 PolarHBondContact O-N 2.89Š|
| 1303 | S | 28.9 | Very low | 39 | Very low | 109 Ų | 109 | 109.7 Ų | 109.7 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -130.4 | 71.3 | -176.4 | 59 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1304 | G | 28.3 | Very low | 36.5 | Very low | 75 Ų | 75 | 115.7 Ų | 115.7 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -173.4 | -17.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||
| 1305 | R | 28.3 | Very low | 34.5 | Very low | 246 Ų | 246 | 115 Ų | 115 | 93% | 0.928 | 72% | 0.722 | S | S | * | * | trans | -140.7 | 133.7 | 174.5 | -76.3 | -171.4 | 174.6 | -179.7 | -1.9 | 112.3 | ||||
| 1306 | K | 28.4 | Very low | 33 | Very low | 213 Ų | 213 | 117.7 Ų | 117.7 | 93% | 0.926 | 74% | 0.735 | S | S | * | * | trans | -91.6 | 134 | 166.5 | -70.1 | -176.7 | 177 | -178.2 | 0 | 108.9 | ||||
| 1307 | G | 27.1 | Very low | 32.6 | Very low | 83 Ų | 83 | 117.1 Ų | 117.1 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | trans | 88.8 | 122.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1308 | G | 28.2 | Very low | 32.8 | Very low | 78 Ų | 78 | 120.2 Ų | 120.2 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | 132.9 | 105.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1309 | S | 29.6 | Very low | 33.7 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 85% | 0.846 | 71% | 0.713 | S | S | * | * | trans | -73.9 | 133.3 | 171.2 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1310 | C | 29.6 | Very low | 34.8 | Very low | 127 Ų | 127 | 116.4 Ų | 116.4 | 86% | 0.858 | 70% | 0.698 | S | S | * | * | trans | -140.1 | 137.6 | 166.4 | -91.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1311 | L | 28.9 | Very low | 36.2 | Very low | 167 Ų | 167 | 112 Ų | 112 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | trans | -66 | 163.5 | -170.1 | -64.5 | 153.6 | 0 | 0 | 0 | 112.5 | G1313 | L1311-G1313 VanDerWaalsContact C-N 3.32Å; L1311-G1313 PolarHBondContact O-N 2.87Å | ||
| 1312 | T | 26.3 | Very low | 37.5 | Very low | 152 Ų | 152 | 106.9 Ų | 106.9 | 93% | 0.933 | 66% | 0.655 | S | S | * | * | trans | -64.7 | 83.8 | 172.5 | 44.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1313 | G | 27.1 | Very low | 38.6 | Very low | 66 Ų | 66 | 104.8 Ų | 104.8 | 68% | 0.68 | 64% | 0.635 | S | S | * | * | trans | -90.7 | 144.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1311 S1315 | L1311-G1313 VanDerWaalsContact C-N 3.32Å; L1311-G1313 PolarHBondContact O-N 2.87Å; G1313-S1315 PolarHBondContact O-N 3.04Å | ||
| 1314 | Q | 29.6 | Very low | 39.3 | Very low | 127 Ų | 127 | 106.3 Ų | 106.3 | 59% | 0.593 | 63% | 0.628 | S | S | * | * | trans | -66.3 | 116.8 | 178.2 | -64.7 | 164.8 | -47.4 | 0 | 0 | 111.4 | I1316 E1407 | Q1314-I1316 VanDerWaalsContact C-N 3.32Å; Q1314-I1316 PolarHBondContact O-N 3.26Å; Q1314-E1407 PolarHBondContact NE2-OE2 2.61Å | ||
| 1315 | S | 33.8 | Very low | 39.6 | Very low | 75 Ų | 75 | 107.8 Ų | 107.8 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | trans | -79.2 | 82 | 170.6 | -168.6 | 0 | 0 | 0 | 0 | 110.4 | G1313 | G1313-S1315 PolarHBondContact O-N 3.04Š| ||
| 1316 | I | 40.1 | Very low | 40.1 | Very low | 101 Ų | 101 | 101.4 Ų | 101.4 | 52% | 0.518 | 62% | 0.617 | S | S | . | * | trans | -60.7 | 134.6 | 166.4 | -60.8 | 174.2 | 0 | 0 | 0 | 108 | Q1314 Q1318 | Q1314-I1316 VanDerWaalsContact C-N 3.32Å; Q1314-I1316 PolarHBondContact O-N 3.26Å; I1316-Q1318 VanDerWaalsContact C-N 3.28Å; I1316-Q1318 HydrophobicContact CB-CG 4.32Å; I1316-Q1318 HydrophobicContact CG2-CG 4Å; I1316-Q1318 PolarHBondContact O-N 3.02Å | ||
| 1317 | V | 50.7 | Low | 40.6 | Very low | 36 Ų | 36 | 92.2 Ų | 92.2 | 22% | 0.218 | 58% | 0.579 | C | S | . | * | trans | -72.1 | 88.3 | 170.1 | 176.6 | 0 | 0 | 0 | 0 | 108.1 | L1295 F1319 P1410 | L1295-V1317 HydrophobicContact CD2-CG1 3.99Å; V1317-F1319 HydrophobicContact CG1-CE1 4.5Å; V1317-F1319 HydrophobicContact CG1-CE2 3.97Å; V1317-F1319 HydrophobicContact CG1-CZ 3.92Å; V1317-P1410 HydrophobicContact CG2-CG 4.27Å | ||
| 1318 | Q | 52.9 | Low | 41.1 | Very low | 116 Ų | 116 | 91.7 Ų | 91.7 | 54% | 0.542 | 56% | 0.557 | S | S | . | * | trans | -82.3 | 136.1 | 173.4 | -66.8 | -177.6 | -16.1 | 0 | 0 | 109.5 | T1296 I1316 | T1296-Q1318 HydrophobicContact CG2-CB 3.79Å; T1296-Q1318 PolarHBondContact N-O 2.97Å; T1296-Q1318 PolarHBondContact OG1-O 3.49Å; I1316-Q1318 VanDerWaalsContact C-N 3.28Å; I1316-Q1318 HydrophobicContact CB-CG 4.32Å; I1316-Q1318 HydrophobicContact CG2-CG 4Å; I1316-Q1318 PolarHBondContact O-N 3.02Å | ||
| 1319 | F | 62.7 | Low | 41.3 | Very low | 29 Ų | 29 | 95 Ų | 95 | 13% | 0.127 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 116.5 | 170.2 | -68.9 | -76.4 | 0 | 0 | 0 | 108.6 | L1097 I1121 F1293 R1294 L1295 V1317 F1321 F1439 | L1097-F1319 HydrophobicContact CD2-CE1 3.96Å; I1121-F1319 HydrophobicContact CB-CD2 3.92Å; I1121-F1319 HydrophobicContact CB-CE2 3.99Å; I1121-F1319 HydrophobicContact CD1-CB 4.22Å; I1121-F1319 HydrophobicContact CD1-CD1 4.04Å; I1121-F1319 HydrophobicContact CD1-CD2 3.87Å; I1121-F1319 HydrophobicContact CD1-CE1 4.37Å; I1121-F1319 HydrophobicContact CD1-CE2 4.22Å; I1121-F1319 HydrophobicContact CD1-CG 3.76Å; I1121-F1319 HydrophobicContact CD1-CZ 4.45Å; I1121-F1319 HydrophobicContact CG1-CD2 4.46Å; I1121-F1319 HydrophobicContact CG2-CD2 4.11Å; I1121-F1319 HydrophobicContact CG2-CE2 3.64Å; I1121-F1319 HydrophobicContact CG2-CZ 4.14Å; F1293-F1319 AromaticContact CD2-CD1 3.99Å; F1293-F1319 HydrophobicContact CD2-CD1 3.99Å; R1294-F1319 WeakPolarHBondContact O-CA 3.45Å; L1295-F1319 HydrophobicContact CG-CE1 4.21Å; V1317-F1319 HydrophobicContact CG1-CE1 4.5Å; V1317-F1319 HydrophobicContact CG1-CE2 3.97Å; V1317-F1319 HydrophobicContact CG1-CZ 3.92Å; F1319-F1321 HydrophobicContact CB-CE2 3.86Å; F1319-F1321 HydrophobicContact CB-CZ 3.89Å; F1319-F1321 WeakPolarHBondContact O-CD2 3.39Å; F1319-F1321 PolarHBondContact O-N 3.21Å; F1319-F1439 HydrophobicContact CE1-CZ 4.27Å; F1319-F1439 HydrophobicContact CZ-CE1 4.06Å; F1319-F1439 HydrophobicContact CZ-CZ 4.25Å |
| 1320 | E | 60.7 | Low | 41.5 | Very low | 91 Ų | 91 | 96.7 Ų | 96.7 | 43% | 0.425 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 105.7 | 177 | -173.2 | -177.4 | 168.5 | 0 | 0 | 109 | F1293 R1294 T1296 | F1293-E1320 WeakPolarHBondContact CA-O 3.21Å; R1294-E1320 HydrophobicContact CG-CB 4.06Å; R1294-E1320 IonicContact CZ-OE2 3.19Å; R1294-E1320 PolarHBondContact N-O 3.09Å; R1294-E1320 IonicContact NE-OE2 2.97Å; R1294-E1320 PolarHBondContact NE-OE2 3.24Å; R1294-E1320 IonicContact NH2-OE1 2.66Å; R1294-E1320 PolarHBondContact NH2-OE1 3.18Å; R1294-E1320 IonicContact NH2-OE2 3.13Å; R1294-E1320 PolarHBondContact NH2-OE2 3.32Å; R1294-E1320 PolarHBondContact O-N 3.11Å; R1294-E1320 VanDerWaalsContact O-N 3.1Å; T1296-E1320 HydrophobicContact CG2-CB 4.21Å |
| 1321 | F | 60.7 | Low | 41.5 | Very low | 70 Ų | 70 | 98.7 Ų | 98.7 | 31% | 0.307 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 120.7 | 178.4 | -63.9 | -79.6 | 0 | 0 | 0 | 111.4 | P1119 I1121 V1291 F1293 F1319 | P1119-F1321 HydrophobicContact CB-CD1 3.82Å; P1119-F1321 HydrophobicContact CB-CE1 3.66Å; P1119-F1321 HydrophobicContact CB-CG 4.42Å; P1119-F1321 HydrophobicContact CB-CZ 4.1Å; P1119-F1321 HydrophobicContact CG-CB 4.26Å; P1119-F1321 HydrophobicContact CG-CD1 3.58Å; P1119-F1321 HydrophobicContact CG-CD2 4.28Å; P1119-F1321 HydrophobicContact CG-CE1 3.93Å; P1119-F1321 HydrophobicContact CG-CG 3.77Å; P1119-F1321 HydrophobicContact CG-CZ 4.4Å; I1121-F1321 HydrophobicContact CD1-CE1 3.95Å; I1121-F1321 HydrophobicContact CD1-CZ 3.67Å; I1121-F1321 HydrophobicContact CG1-CE1 4.48Å; I1121-F1321 HydrophobicContact CG1-CZ 3.96Å; V1291-F1321 HydrophobicContact CG1-CD1 4.17Å; F1293-F1321 HydrophobicContact CB-CD1 3.65Å; F1293-F1321 HydrophobicContact CB-CE1 3.82Å; F1293-F1321 HydrophobicContact CB-CG 4.44Å; F1293-F1321 HydrophobicContact CD1-CD1 4.45Å; F1293-F1321 HydrophobicContact CD1-CE1 4.23Å; F1293-F1321 HydrophobicContact CG-CD1 4.28Å; F1293-F1321 HydrophobicContact CG-CE1 4.03Å; F1319-F1321 HydrophobicContact CB-CE2 3.86Å; F1319-F1321 HydrophobicContact CB-CZ 3.89Å; F1319-F1321 WeakPolarHBondContact O-CD2 3.39Å; F1319-F1321 PolarHBondContact O-N 3.21Å |
| 1322 | S | 57.7 | Low | 41.6 | Very low | 64 Ų | 64 | 94 Ų | 94 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128 | 166.7 | 59.9 | 0 | 0 | 0 | 0 | 109.9 | S1292 | S1292-S1322 WeakPolarHBondContact CB-OG 3.34Å; S1292-S1322 PolarHBondContact N-O 2.81Å; S1292-S1322 PolarHBondContact O-N 2.72Å; S1292-S1322 PolarHBondContact O-OG 3.06Å |
| 1323 | S | 50.7 | Low | 41.6 | Very low | 55 Ų | 55 | 93.3 Ų | 93.3 | 39% | 0.385 | 54% | 0.544 | S | S | . | . | trans | -135.8 | 148.3 | 173.1 | 63.5 | 0 | 0 | 0 | 0 | 108.9 | P1325 | S1323-P1325 VanDerWaalsContact O-CD 3.23Å; S1323-P1325 WeakPolarHBondContact O-CD 3.47Å | ||
| 1324 | F | 44.2 | Very low | 41.6 | Very low | 140 Ų | 140 | 99.8 Ų | 99.8 | 61% | 0.614 | 55% | 0.554 | S | S | * | * | trans | -77.4 | 113.8 | -178.3 | -81.2 | -87.2 | 0 | 0 | 0 | 110.9 | S1326 S1327 | F1324-S1326 PolarHBondContact O-N 2.92Å; F1324-S1327 PolarHBondContact O-N 3.03Å; F1324-S1327 PolarHBondContact O-OG 3.1Å | ||
| 1325 | P | 35.8 | Very low | 41.4 | Very low | 107 Ų | 107 | 103.6 Ų | 103.6 | 70% | 0.695 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -66 | -16.7 | -172.1 | -22.9 | 35.3 | 0 | 0 | 0 | 114.6 | S1323 S1327 L1328 | S1323-P1325 VanDerWaalsContact O-CD 3.23Å; S1323-P1325 WeakPolarHBondContact O-CD 3.47Å; P1325-S1327 PolarHBondContact O-N 2.79Å; P1325-L1328 PolarHBondContact O-N 2.93Å |
| 1326 | S | 37.2 | Very low | 41.1 | Very low | 111 Ų | 111 | 106 Ų | 106 | 78% | 0.776 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -64.2 | -1.2 | 179.9 | 45.5 | 0 | 0 | 0 | 0 | 115.1 | F1324 | F1324-S1326 PolarHBondContact O-N 2.92Š|
| 1327 | S | 40.2 | Very low | 40.4 | Very low | 20 Ų | 20 | 107.4 Ų | 107.4 | 14% | 0.14 | 60% | 0.603 | C | S | . | * | G | 310 helix | trans | -104.8 | -16.5 | 179.1 | 56.9 | 0 | 0 | 0 | 0 | 114.9 | F1324 P1325 | F1324-S1327 PolarHBondContact O-N 3.03Å; F1324-S1327 PolarHBondContact O-OG 3.1Å; P1325-S1327 PolarHBondContact O-N 2.79Å |
| 1328 | L | 36.2 | Very low | 39.2 | Very low | 73 Ų | 73 | 110.5 Ų | 110.5 | 38% | 0.382 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.3 | -6.9 | -167.6 | -68.5 | 173 | 0 | 0 | 0 | 115.7 | P1325 L1330 | P1325-L1328 PolarHBondContact O-N 2.93Å; L1328-L1330 VanDerWaalsContact C-N 3.27Å; L1328-L1330 PolarHBondContact O-N 2.86Å; L1328-L1330 VanDerWaalsContact O-N 3.12Å |
| 1329 | N | 33.9 | Very low | 37.9 | Very low | 148 Ų | 148 | 113.5 Ų | 113.5 | 79% | 0.791 | 65% | 0.649 | S | S | * | * | trans | 55.8 | 29.3 | 168.3 | -151.8 | 35.7 | 0 | 0 | 0 | 116.4 | ||||
| 1330 | L | 33.1 | Very low | 36.1 | Very low | 155 Ų | 155 | 119 Ų | 119 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | trans | -85.8 | 116.2 | 177.2 | -68.8 | 172.9 | 0 | 0 | 0 | 111.8 | L1328 G1332 | L1328-L1330 VanDerWaalsContact C-N 3.27Å; L1328-L1330 PolarHBondContact O-N 2.86Å; L1328-L1330 VanDerWaalsContact O-N 3.12Å; L1330-G1332 PolarHBondContact O-N 3.42Å | ||
| 1331 | N | 29.9 | Very low | 34.4 | Very low | 170 Ų | 170 | 119.7 Ų | 119.7 | 91% | 0.909 | 69% | 0.691 | S | S | * | * | trans | -83.1 | 95 | 174.4 | -75.4 | -45.9 | 0 | 0 | 0 | 111 | ||||
| 1332 | G | 29.6 | Very low | 32.6 | Very low | 68 Ų | 68 | 124.4 Ų | 124.4 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | -165.4 | 87.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116 | L1330 K1334 | L1330-G1332 PolarHBondContact O-N 3.42Å; G1332-K1334 PolarHBondContact O-N 3.38Å | ||
| 1333 | T | 27 | Very low | 31.1 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | trans | -21.7 | 113.8 | 170.6 | 53.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1334 | K | 28.4 | Very low | 29.9 | Very low | 202 Ų | 202 | 130.3 Ų | 130.3 | 88% | 0.878 | 76% | 0.755 | S | S | * | * | 177.9 | 150.4 | 112.6 | -97.8 | 174.6 | -179.4 | -180 | 0 | 111.5 | G1332 | G1332-K1334 PolarHBondContact O-N 3.38Š| |||
| 1335 | F | 23.4 | Very low | 29 | Very low | 207 Ų | 207 | 131.6 Ų | 131.6 | 91% | 0.908 | 77% | 0.768 | S | S | * | * | trans | -88.9 | 133.8 | 172.8 | -75.1 | -93.8 | 0 | 0 | 0 | 110.9 | ||||
| 1336 | C | 28.5 | Very low | 28.4 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -111 | 127.2 | 162.7 | -72.1 | 0 | 0 | 0 | 0 | 108.9 | A1338 | C1336-A1338 PolarHBondContact O-N 2.66Š| ||
| 1337 | S | 24.9 | Very low | 27.8 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -82.2 | 100.7 | -174.2 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1338 | A | 26.6 | Very low | 27.2 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -139.1 | 47.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111 | C1336 D1340 | C1336-A1338 PolarHBondContact O-N 2.66Å; A1338-D1340 PolarHBondContact O-N 2.95Å | ||
| 1339 | M | 25 | Very low | 26.5 | Very low | 180 Ų | 180 | 145 Ų | 145 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | -78.1 | 105.9 | 165 | -84 | -88.6 | -162.1 | 0 | 0 | 108.6 | ||||
| 1340 | D | 24 | Very low | 26 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 77% | 0.765 | 82% | 0.823 | S | S | * | * | trans | -62.3 | 127.9 | 147 | -98.4 | -32.5 | 0 | 0 | 0 | 107.1 | A1338 L1342 | A1338-D1340 PolarHBondContact O-N 2.95Å; D1340-L1342 PolarHBondContact O-N 2.87Å | ||
| 1341 | P | 24.9 | Very low | 25.5 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 69% | 0.688 | 82% | 0.823 | S | S | * | * | trans | -71.9 | 98.4 | -179.2 | 28.7 | -33.4 | 0 | 0 | 0 | 109.9 | T1343 | P1341-T1343 VanDerWaalsContact C-N 3.34Å; P1341-T1343 PolarHBondContact O-N 2.89Å | ||
| 1342 | L | 24.7 | Very low | 25.2 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -57 | 102.6 | 154.7 | -79.8 | 172.5 | 0 | 0 | 0 | 107.4 | D1340 S1344 | D1340-L1342 PolarHBondContact O-N 2.87Å; L1342-S1344 VanDerWaalsContact C-N 3.28Å; L1342-S1344 PolarHBondContact O-N 3.28Å | ||
| 1343 | T | 25 | Very low | 24.8 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -67.3 | 86.9 | 178.3 | 49.5 | 0 | 0 | 0 | 0 | 109.6 | P1341 D1345 | P1341-T1343 VanDerWaalsContact C-N 3.34Å; P1341-T1343 PolarHBondContact O-N 2.89Å; T1343-D1345 PolarHBondContact O-N 2.96Å | ||
| 1344 | S | 25.1 | Very low | 24.6 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -71.9 | 89 | 174.3 | 61 | 0 | 0 | 0 | 0 | 109.9 | L1342 | L1342-S1344 VanDerWaalsContact C-N 3.28Å; L1342-S1344 PolarHBondContact O-N 3.28Å | ||
| 1345 | D | 25.6 | Very low | 24.2 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | -73.8 | 137.9 | 163.5 | -146.8 | -22.2 | 0 | 0 | 0 | 109.4 | T1343 | T1343-D1345 PolarHBondContact O-N 2.96Š| ||
| 1346 | A | 23.8 | Very low | 24.4 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 62% | 0.62 | 80% | 0.799 | S | S | * | * | trans | -108.3 | 134.2 | -145 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1347 | K | 25 | Very low | 24.2 | Very low | 197 Ų | 197 | 142.4 Ų | 142.4 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -165.5 | 142.6 | 136.4 | -106.2 | 143.7 | -168 | 166.8 | 0 | 115.8 | ||||
| 1348 | Q | 26.5 | Very low | 24.1 | Very low | 187 Ų | 187 | 142.3 Ų | 142.3 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 68.9 | 84.9 | 154.5 | -68.1 | 179.8 | -25.5 | 0 | 0 | 119.7 | ||||
| 1349 | T | 21.3 | Very low | 24 | Very low | 134 Ų | 134 | 143 Ų | 143 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -85.6 | 170.1 | 143.4 | 28.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1350 | S | 24.7 | Very low | 24.2 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | 79.5 | 147.8 | 166.3 | 89.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1351 | M | 21.5 | Very low | 24.2 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | cis | -168 | 166.6 | -17.6 | -121.2 | -176.6 | -169.7 | 0 | 0 | 112 | ||||
| 1352 | I | 24.1 | Very low | 24.2 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 70.9 | 100.9 | 151.5 | -64.5 | 159.9 | 0 | 0 | 0 | 119.8 | ||||
| 1353 | N | 22.1 | Very low | 24.3 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | 41.4 | 132.1 | 122.8 | -92.1 | -39.1 | 0 | 0 | 0 | 124.4 | |||||
| 1354 | R | 21.4 | Very low | 24.5 | Very low | 201 Ų | 201 | 135.7 Ų | 135.7 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | trans | 82.7 | 106.2 | 132.7 | -78.4 | -173.7 | -179.7 | -169 | 0.1 | 123.1 | ||||
| 1355 | S | 21.2 | Very low | 24.6 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | 71 | 121.4 | 118.5 | 71.1 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1356 | I | 26.7 | Very low | 24.5 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -155.2 | 114.8 | 136.7 | -97.7 | 150.7 | 0 | 0 | 0 | 104.6 | ||||
| 1357 | L | 24.6 | Very low | 24.5 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | 50.5 | 141.1 | 97.9 | -86.8 | 93.8 | 0 | 0 | 0 | 116.1 | |||||
| 1358 | N | 23.1 | Very low | 24.7 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | cis | -171.2 | 167.8 | -25.7 | -146.1 | -3.6 | 0 | 0 | 0 | 109.4 | ||||
| 1359 | N | 23.8 | Very low | 24.5 | Very low | 115 Ų | 115 | 138 Ų | 138 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | trans | 66.5 | 163.1 | 165.4 | -47.9 | -10.5 | 0 | 0 | 0 | 116.2 | ||||
| 1360 | H | 28.4 | Very low | 24.9 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | cis | -145 | 143.4 | 9.6 | -113.1 | -55.7 | 0 | 0 | 0 | 111.8 | ||||
| 1361 | S | 25.7 | Very low | 24.9 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | trans | 22.9 | 147.1 | 141.6 | 51 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1362 | S | 24.9 | Very low | 25 | Very low | 87 Ų | 87 | 139.3 Ų | 139.3 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | cis | 177.2 | 167.6 | -1.3 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1363 | N | 27 | Very low | 25.1 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | 74.7 | 144.6 | 155.4 | -64.3 | -17.4 | 0 | 0 | 0 | 118.4 | ||||
| 1364 | A | 27.8 | Very low | 25.4 | Very low | 79 Ų | 79 | 140 Ų | 140 | 65% | 0.653 | 74% | 0.739 | S | S | * | * | cis | -166.8 | 157.9 | -8.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1365 | I | 26.8 | Very low | 25.8 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | 82.4 | 102.4 | 144.1 | -75.8 | 162.3 | 0 | 0 | 0 | 121.3 | ||||
| 1366 | K | 24.1 | Very low | 26.1 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | 75 | 139.4 | 129.3 | -69.8 | -172.7 | -176.7 | -178.8 | 0 | 123.9 | |||||
| 1367 | N | 23.7 | Very low | 26.2 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | 69.9 | 144.4 | 155.5 | -74.4 | 47.5 | 0 | 0 | 0 | 116.8 | ||||
| 1368 | D | 28.4 | Very low | 26.5 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | cis | -126.9 | 176.7 | 9.8 | -87.2 | -48.7 | 0 | 0 | 0 | 114.3 | ||||
| 1369 | Q | 23.6 | Very low | 26.8 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | trans | -85.5 | 135.9 | 174 | -57.9 | 171.3 | -67.5 | 0 | 0 | 111.2 | ||||
| 1370 | H | 28.5 | Very low | 26.9 | Very low | 189 Ų | 189 | 140.9 Ų | 140.9 | 88% | 0.875 | 73% | 0.726 | S | S | * | * | trans | -165.4 | 109.2 | 143.9 | -110 | -64.5 | 0 | 0 | 0 | 111.5 | ||||
| 1371 | T | 24.7 | Very low | 26.8 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | trans | -93.9 | -179.2 | 162.4 | 45.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1372 | D | 25.4 | Very low | 26.9 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | 69.2 | 78 | 157.8 | -44.4 | -45.3 | 0 | 0 | 0 | 117.3 | ||||
| 1373 | N | 25.5 | Very low | 27 | Very low | 136 Ų | 136 | 144 Ų | 144 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -160 | 42.8 | 164.7 | -115.4 | -44.8 | 0 | 0 | 0 | 115.1 | ||||
| 1374 | I | 29 | Very low | 27 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 80% | 0.795 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -120.1 | -25.7 | -177.4 | -66.8 | -178.9 | 0 | 0 | 0 | 114.3 | ||
| 1375 | E | 28.5 | Very low | 27.2 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 81% | 0.808 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -80.4 | -19.6 | -174.6 | -63 | -165.9 | 128.9 | 0 | 0 | 115 | N1377 | E1375-N1377 PolarHBondContact O-N 3.05Š|
| 1376 | S | 28.3 | Very low | 27.6 | Very low | 70 Ų | 70 | 139.3 Ų | 139.3 | 49% | 0.49 | 70% | 0.698 | S | S | . | * | G | 310 helix | trans | -65.1 | -32.1 | -176.3 | 47.5 | 0 | 0 | 0 | 0 | 114.4 | R1378 | S1376-R1378 VanDerWaalsContact C-N 3.35Å; S1376-R1378 PolarHBondContact O-N 3.13Å |
| 1377 | N | 29.3 | Very low | 28.2 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -84 | 3.8 | -170.1 | -76.2 | -32.2 | 0 | 0 | 0 | 115.6 | E1375 | E1375-N1377 PolarHBondContact O-N 3.05Š|
| 1378 | R | 29.5 | Very low | 29 | Very low | 215 Ų | 215 | 131.8 Ų | 131.8 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -90.1 | -19.5 | 174.4 | -86.8 | -176.3 | 171 | 169.4 | -2.7 | 114.7 | S1376 | S1376-R1378 VanDerWaalsContact C-N 3.35Å; S1376-R1378 PolarHBondContact O-N 3.13Å |
| 1379 | F | 29.1 | Very low | 29.9 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -91.9 | -14.5 | -170.7 | -78.4 | -82.8 | 0 | 0 | 0 | 115.8 | L1381 | F1379-L1381 VanDerWaalsContact C-N 3.32Å; F1379-L1381 PolarHBondContact O-N 2.97Å |
| 1380 | E | 26.6 | Very low | 31 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 57% | 0.565 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -70.3 | -23.3 | -176.5 | -76.6 | -94.3 | 95.7 | 0 | 0 | 114.2 | V1382 K1383 | E1380-V1382 VanDerWaalsContact C-N 3.3Å; E1380-V1382 PolarHBondContact O-N 3.04Å; E1380-K1383 IonicContact OE1-NZ 2.7Å; E1380-K1383 PolarHBondContact OE1-NZ 2.84Å |
| 1381 | L | 26.4 | Very low | 32.1 | Very low | 155 Ų | 155 | 120.1 Ų | 120.1 | 81% | 0.812 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -76.2 | -7.9 | -171.9 | -86 | 163.7 | 0 | 0 | 0 | 115.4 | F1379 | F1379-L1381 VanDerWaalsContact C-N 3.32Å; F1379-L1381 PolarHBondContact O-N 2.97Å |
| 1382 | V | 27.6 | Very low | 33.7 | Very low | 103 Ų | 103 | 115.2 Ų | 115.2 | 62% | 0.624 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -96.2 | -2.6 | -177.7 | -170.1 | 0 | 0 | 0 | 0 | 112.4 | E1380 L1384 | E1380-V1382 VanDerWaalsContact C-N 3.3Å; E1380-V1382 PolarHBondContact O-N 3.04Å; V1382-L1384 PolarHBondContact O-N 2.87Å |
| 1383 | K | 26.3 | Very low | 35.5 | Very low | 152 Ų | 152 | 110.5 Ų | 110.5 | 66% | 0.661 | 56% | 0.559 | S | S | * | * | trans | -75.8 | 2.1 | -177.7 | -73.6 | 179.3 | 179.2 | 168.8 | 0 | 115.7 | E1380 L1385 | E1380-K1383 IonicContact OE1-NZ 2.7Å; E1380-K1383 PolarHBondContact OE1-NZ 2.84Å; K1383-L1385 PolarHBondContact O-N 2.94Å | ||
| 1384 | L | 27.6 | Very low | 37.3 | Very low | 97 Ų | 97 | 104.9 Ų | 104.9 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | trans | -79.4 | 109.5 | 171.1 | -82.8 | 167.4 | 0 | 0 | 0 | 109.3 | V1382 P1386 | V1382-L1384 PolarHBondContact O-N 2.87Å; L1384-P1386 VanDerWaalsContact O-CD 3.25Å; L1384-P1386 WeakPolarHBondContact O-CD 3.48Å | ||
| 1385 | L | 32.1 | Very low | 39 | Very low | 111 Ų | 111 | 103.8 Ų | 103.8 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | trans | -60.6 | 129.5 | 159.4 | -62.3 | 108.8 | 0 | 0 | 0 | 108.2 | M1007 K1383 C1387 | M1007-L1385 HydrophobicContact CE-CB 3.89Å; M1007-L1385 HydrophobicContact CE-CD2 3.9Å; M1007-L1385 HydrophobicContact CE-CG 4.15Å; M1007-L1385 HydrophobicContact SD-CB 4.09Å; M1007-L1385 HydrophobicContact SD-CD2 3.87Å; M1007-L1385 HydrophobicContact SD-CG 3.86Å; K1383-L1385 PolarHBondContact O-N 2.94Å; L1385-C1387 PolarHBondContact O-N 2.58Å | ||
| 1386 | P | 34.5 | Very low | 41 | Very low | 77 Ų | 77 | 96.2 Ų | 96.2 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | trans | -41.6 | 107.7 | 139.5 | -30.7 | 35.8 | 0 | 0 | 0 | 108.5 | M1007 L1384 L1388 | M1007-P1386 HydrophobicContact CB-CG 4.12Å; M1007-P1386 HydrophobicContact CE-CB 4.35Å; M1007-P1386 HydrophobicContact CE-CG 4.24Å; M1007-P1386 VanDerWaalsContact CG-CD 3.49Å; M1007-P1386 HydrophobicContact CG-CG 4.48Å; L1384-P1386 VanDerWaalsContact O-CD 3.25Å; L1384-P1386 WeakPolarHBondContact O-CD 3.48Å; P1386-L1388 PolarHBondContact O-N 3.4Å; P1386-L1388 VanDerWaalsContact O-N 3.11Å | ||
| 1387 | C | 37.4 | Very low | 43.2 | Very low | 106 Ų | 106 | 95.1 Ų | 95.1 | 72% | 0.716 | 47% | 0.473 | S | S | * | . | trans | -56.7 | 121.1 | 175.1 | -59 | 0 | 0 | 0 | 0 | 107.1 | L1385 P1389 | L1385-C1387 PolarHBondContact O-N 2.58Å; C1387-P1389 VanDerWaalsContact O-N 3.15Å | ||
| 1388 | L | 41.3 | Very low | 45.8 | Very low | 45 Ų | 45 | 88.9 Ų | 88.9 | 24% | 0.236 | 44% | 0.44 | C | S | . | . | trans | -42.5 | 126.9 | 168 | -79.9 | 165.3 | 0 | 0 | 0 | 107.7 | W417 I420 M1182 D1187 P1386 N1390 | W417-L1388 HydrophobicContact CE3-CD2 4.02Å; W417-L1388 HydrophobicContact CH2-CD2 4.42Å; W417-L1388 HydrophobicContact CZ3-CD2 3.69Å; I420-L1388 HydrophobicContact CG2-CD1 4.09Å; M1182-L1388 HydrophobicContact SD-CD2 3.75Å; D1187-L1388 WeakPolarHBondContact OD2-CB 3.37Å; P1386-L1388 PolarHBondContact O-N 3.4Å; P1386-L1388 VanDerWaalsContact O-N 3.11Å; L1388-N1390 PolarHBondContact O-N 3.42Å; L1388-N1390 PolarHBondContact O-ND2 3.35Å | ||
| 1389 | P | 46.6 | Very low | 48.4 | Very low | 26 Ų | 26 | 79.6 Ų | 79.6 | 17% | 0.169 | 41% | 0.408 | C | S | . | . | trans | -72.8 | 78.2 | -164.7 | 26.7 | -34.4 | 0 | 0 | 0 | 111 | W1178 M1182 Y1188 C1387 R1391 | W1178-P1389 HydrophobicContact CB-CG 4.44Å; M1182-P1389 HydrophobicContact CE-CG 3.92Å; Y1188-P1389 WeakPolarHBondContact CE2-O 3.34Å; Y1188-P1389 PolarHBondContact OH-O 2.97Å; C1387-P1389 VanDerWaalsContact O-N 3.15Å; P1389-R1391 PolarHBondContact O-N 3.01Å | ||
| 1390 | N | 46.4 | Very low | 51 | Low | 110 Ų | 110 | 72.3 Ų | 72.3 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -55.3 | -17.8 | -174.3 | -83 | -86.3 | 0 | 0 | 0 | 114.2 | L1388 | L1388-N1390 PolarHBondContact O-N 3.42Å; L1388-N1390 PolarHBondContact O-ND2 3.35Å |
| 1391 | R | 52.9 | Low | 53.6 | Low | 135 Ų | 135 | 68.5 Ų | 68.5 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -145.7 | 112.2 | 172.4 | -57.6 | -170.4 | -165.5 | -173.4 | 6.6 | 111.4 | Y1188 R1243 P1389 | Y1188-R1391 VanDerWaalsContact OH-CA 3.24Å; Y1188-R1391 WeakPolarHBondContact OH-CA 3.25Å; Y1188-R1391 PolarHBondContact OH-N 3.19Å; R1243-R1391 HydrophobicContact CB-CB 4.23Å; R1243-R1391 WeakPolarHBondContact CD-O 3.3Å; R1243-R1391 HydrophobicContact CG-CB 4.31Å; R1243-R1391 PolarHBondContact NH1-O 3.41Å; P1389-R1391 PolarHBondContact O-N 3.01Å |
| 1392 | V | 58.6 | Low | 56.2 | Low | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.024 | 32% | 0.319 | C | S | . | . | trans | -62.7 | 152.4 | 164.8 | 150.6 | 0 | 0 | 0 | 0 | 110.2 | L1157 L1179 Y1188 I1233 R1243 E1396 | L1157-V1392 HydrophobicContact CD2-CG1 3.56Å; L1179-V1392 HydrophobicContact CD1-CG2 4.19Å; L1179-V1392 HydrophobicContact CD2-CG2 4.32Å; Y1188-V1392 HydrophobicContact CD2-CG2 4.36Å; Y1188-V1392 HydrophobicContact CE1-CB 4.22Å; Y1188-V1392 HydrophobicContact CE1-CG2 4.04Å; Y1188-V1392 HydrophobicContact CE2-CG2 3.69Å; Y1188-V1392 PolarHBondContact OH-N 2.9Å; I1233-V1392 HydrophobicContact CD1-CG1 3.88Å; R1243-V1392 WeakPolarHBondContact CB-O 3.45Å; V1392-E1396 WeakPolarHBondContact CG1-OE2 3.1Å | ||
| 1393 | N | 62.9 | Low | 58.6 | Low | 42 Ų | 42 | 56.2 Ų | 56.2 | 23% | 0.225 | 29% | 0.29 | C | S | . | . | trans | -101.5 | 137.2 | -177.3 | -169.9 | -14.7 | 0 | 0 | 0 | 111.2 | Y1395 E1396 | N1393-Y1395 PolarHBondContact O-N 3.02Å; N1393-Y1395 VanDerWaalsContact O-N 3.09Å; N1393-Y1395 WeakPolarHBondContact OD1-CD2 3.1Å; N1393-Y1395 PolarHBondContact OD1-N 3.46Å; N1393-E1396 HydrophobicContact CB-CB 4.36Å; N1393-E1396 VanDerWaalsContact O-CB 3.31Å; N1393-E1396 WeakPolarHBondContact O-CB 3.24Å; N1393-E1396 PolarHBondContact O-N 3.39Å | ||
| 1394 | A | 62.5 | Low | 60.7 | Low | 19 Ų | 19 | 50.2 Ų | 50.2 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -13.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1132 S1135 | P1132-A1394 WeakPolarHBondContact CG-O 3.41Å; S1135-A1394 WeakPolarHBondContact CB-O 3.48Å; S1135-A1394 PolarHBondContact OG-O 3.02Å |
| 1395 | Y | 63.8 | Low | 62.3 | Low | 131 Ų | 131 | 48.6 Ų | 48.6 | 51% | 0.514 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 18.7 | 175.9 | -55.3 | -77.4 | 0 | 0 | 0 | 113.4 | P1245 N1393 T1397 | P1245-Y1395 HydrophobicContact CB-CD2 4Å; P1245-Y1395 HydrophobicContact CB-CE2 3.82Å; P1245-Y1395 HydrophobicContact CG-CE2 4.22Å; N1393-Y1395 PolarHBondContact O-N 3.02Å; N1393-Y1395 VanDerWaalsContact O-N 3.09Å; N1393-Y1395 WeakPolarHBondContact OD1-CD2 3.1Å; N1393-Y1395 PolarHBondContact OD1-N 3.46Å; Y1395-T1397 PolarHBondContact O-N 2.81Å; Y1395-T1397 PolarHBondContact O-OG1 2.89Å |
| 1396 | E | 70.9 | Confident | 63.3 | Low | 14 Ų | 14 | 50.2 Ų | 50.2 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 123.5 | -178.3 | -173.4 | 167 | 170.8 | 0 | 0 | 112.1 | P1132 L1159 Y1161 V1392 N1393 | P1132-E1396 WeakPolarHBondContact CD-O 3.27Å; L1159-E1396 HydrophobicContact CD1-CB 4.19Å; Y1161-E1396 WeakPolarHBondContact CE1-O 3.32Å; Y1161-E1396 PolarHBondContact OH-O 3.11Å; V1392-E1396 WeakPolarHBondContact CG1-OE2 3.1Å; N1393-E1396 HydrophobicContact CB-CB 4.36Å; N1393-E1396 VanDerWaalsContact O-CB 3.31Å; N1393-E1396 WeakPolarHBondContact O-CB 3.24Å; N1393-E1396 PolarHBondContact O-N 3.39Å |
| 1397 | T | 75.7 | Confident | 64 | Low | 47 Ų | 47 | 49.6 Ų | 49.6 | 29% | 0.288 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -93 | 122.4 | -172.5 | -57.2 | 0 | 0 | 0 | 0 | 109.6 | P1129 V1130 K1131 Y1395 | P1129-T1397 HydrophobicContact CB-CG2 3.92Å; V1130-T1397 WeakPolarHBondContact O-CA 3.31Å; V1130-T1397 WeakPolarHBondContact O-CG2 3.43Å; K1131-T1397 HydrophobicContact CG-CG2 4.17Å; K1131-T1397 WeakPolarHBondContact CG-OG1 3.48Å; Y1395-T1397 PolarHBondContact O-N 2.81Å; Y1395-T1397 PolarHBondContact O-OG1 2.89Å |
| 1398 | I | 83.1 | Confident | 64.6 | Low | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 153.2 | 172 | 58 | 175.5 | 0 | 0 | 0 | 110.3 | P1129 V1130 Y1161 I1174 S1175 L1176 V1229 I1400 | P1129-I1398 CarbonylContact C-O 2.98Å; P1129-I1398 WeakPolarHBondContact CA-O 3.43Å; V1130-I1398 HydrophobicContact CB-CD1 4.42Å; V1130-I1398 HydrophobicContact CB-CG1 3.96Å; V1130-I1398 PolarHBondContact N-O 3.48Å; V1130-I1398 PolarHBondContact O-N 2.87Å; Y1161-I1398 HydrophobicContact CD1-CD1 3.75Å; Y1161-I1398 HydrophobicContact CD1-CG1 3.64Å; Y1161-I1398 HydrophobicContact CD2-CD1 3.8Å; Y1161-I1398 HydrophobicContact CD2-CG1 4.42Å; Y1161-I1398 HydrophobicContact CE1-CB 4.34Å; Y1161-I1398 HydrophobicContact CE1-CD1 4.22Å; Y1161-I1398 HydrophobicContact CE1-CG1 3.79Å; Y1161-I1398 HydrophobicContact CE1-CG2 3.99Å; Y1161-I1398 HydrophobicContact CE2-CD1 4.28Å; Y1161-I1398 HydrophobicContact CE2-CG2 3.96Å; Y1161-I1398 HydrophobicContact CG-CD1 3.52Å; Y1161-I1398 HydrophobicContact CG-CG1 3.98Å; I1174-I1398 HydrophobicContact CG2-CD1 4.18Å; S1175-I1398 WeakPolarHBondContact O-CA 3.34Å; S1175-I1398 WeakPolarHBondContact O-CB 3.46Å; L1176-I1398 HydrophobicContact CD2-CG2 3.6Å; L1176-I1398 HydrophobicContact CG-CG2 4.16Å; V1229-I1398 HydrophobicContact CB-CD1 4.4Å; V1229-I1398 HydrophobicContact CG2-CD1 4.35Å; I1398-I1400 HydrophobicContact CD1-CD1 3.92Å; I1398-I1400 HydrophobicContact CD1-CG1 3.91Å; I1398-I1400 HydrophobicContact CG1-CG1 4.2Å |
| 1399 | S | 84.5 | Confident | 65.3 | Low | 21 Ų | 21 | 47.9 Ų | 47.9 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.6 | 167.3 | -65.9 | 0 | 0 | 0 | 0 | 109.1 | S1175 | S1175-S1399 PolarHBondContact N-O 2.86Å; S1175-S1399 PolarHBondContact O-N 3.1Å; S1175-S1399 VanDerWaalsContact O-N 3.12Å |
| 1400 | I | 83.6 | Confident | 65.6 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 115 | 175.8 | -52.1 | -173.7 | 0 | 0 | 0 | 107.7 | C1127 L1128 V1130 F1163 T1172 I1174 I1398 L1402 | C1127-I1400 WeakPolarHBondContact CA-O 3.47Å; L1128-I1400 PolarHBondContact N-O 2.8Å; L1128-I1400 PolarHBondContact O-N 2.85Å; V1130-I1400 HydrophobicContact CB-CD1 4.36Å; V1130-I1400 HydrophobicContact CG2-CD1 3.7Å; V1130-I1400 HydrophobicContact CG2-CG1 4.06Å; F1163-I1400 HydrophobicContact CB-CD1 4.22Å; F1163-I1400 HydrophobicContact CD1-CD1 3.31Å; F1163-I1400 HydrophobicContact CD2-CD1 4.02Å; F1163-I1400 HydrophobicContact CE1-CD1 3.52Å; F1163-I1400 HydrophobicContact CE2-CD1 4.2Å; F1163-I1400 HydrophobicContact CE2-CG2 4.16Å; F1163-I1400 HydrophobicContact CG-CD1 3.58Å; F1163-I1400 HydrophobicContact CZ-CD1 3.96Å; F1163-I1400 HydrophobicContact CZ-CG2 4.23Å; T1172-I1400 HydrophobicContact CG2-CG2 3.93Å; I1174-I1400 HydrophobicContact CG1-CG2 4.47Å; I1398-I1400 HydrophobicContact CD1-CD1 3.92Å; I1398-I1400 HydrophobicContact CD1-CG1 3.91Å; I1398-I1400 HydrophobicContact CG1-CG1 4.2Å; I1400-L1402 HydrophobicContact CG2-CD2 3.85Å; I1400-L1402 HydrophobicContact CG2-CG 4.12Å |
| 1401 | F | 82 | Confident | 66.1 | Low | 41 Ų | 41 | 49.6 Ų | 49.6 | 18% | 0.18 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 105.7 | 179.2 | -65.9 | -107.8 | 0 | 0 | 0 | 108.1 | H1125 C1127 T1172 I1173 | H1125-F1401 HydrophobicContact CB-CB 4.1Å; H1125-F1401 HydrophobicContact CB-CD1 4.1Å; C1127-F1401 WeakPolarHBondContact SG-CD1 3.08Å; C1127-F1401 WeakPolarHBondContact SG-CE1 3.42Å; T1172-F1401 CarbonylContact C-O 3.42Å; T1172-F1401 WeakPolarHBondContact CA-O 3.39Å; I1173-F1401 HydrophobicContact CB-CB 4.18Å; I1173-F1401 HydrophobicContact CD1-CB 4.48Å; I1173-F1401 PolarHBondContact N-O 3.28Å; I1173-F1401 PolarHBondContact O-N 3.09Å |
| 1402 | L | 80.2 | Confident | 66.4 | Low | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 104.7 | 179.5 | -62 | 173.5 | 0 | 0 | 0 | 108.7 | H1125 W1126 F1163 F1167 T1169 T1172 I1400 | H1125-L1402 WeakPolarHBondContact CA-O 3.39Å; W1126-L1402 HydrophobicContact CE3-CB 4.35Å; W1126-L1402 HydrophobicContact CE3-CD1 3.53Å; W1126-L1402 HydrophobicContact CE3-CG 4.48Å; W1126-L1402 HydrophobicContact CZ3-CD1 3.57Å; W1126-L1402 PolarHBondContact N-O 2.92Å; W1126-L1402 PolarHBondContact O-N 2.83Å; F1163-L1402 HydrophobicContact CE2-CD2 4.24Å; F1167-L1402 HydrophobicContact CZ-CB 4.47Å; T1169-L1402 HydrophobicContact CG2-CB 4Å; T1169-L1402 HydrophobicContact CG2-CD2 4.13Å; T1172-L1402 HydrophobicContact CG2-CD2 3.78Å; T1172-L1402 WeakPolarHBondContact OG1-CD2 3.26Å; I1400-L1402 HydrophobicContact CG2-CD2 3.85Å; I1400-L1402 HydrophobicContact CG2-CG 4.12Å |
| 1403 | G | 77.2 | Confident | 66.8 | Low | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 134.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1171 | T1171-G1403 VanDerWaalsContact O-CA 3.26Å; T1171-G1403 WeakPolarHBondContact O-CA 3.28Å; T1171-G1403 PolarHBondContact O-N 2.81Å |
| 1404 | L | 70.6 | Confident | 67.3 | Low | 26 Ų | 26 | 47.4 Ų | 47.4 | 14% | 0.136 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -91.7 | 132.2 | -170.6 | -64.1 | 163.2 | 0 | 0 | 0 | 111.4 | L1123 T1124 W1126 F1167 Y1409 F1419 | L1123-L1404 HydrophobicContact CB-CD1 4.36Å; T1124-L1404 PolarHBondContact O-N 2.87Å; W1126-L1404 HydrophobicContact CB-CD2 4.09Å; F1167-L1404 HydrophobicContact CE2-CD2 4.38Å; F1167-L1404 HydrophobicContact CZ-CD2 3.82Å; L1404-Y1409 HydrophobicContact CB-CE1 4.19Å; L1404-Y1409 HydrophobicContact CD1-CD1 3.97Å; L1404-Y1409 HydrophobicContact CD1-CE1 3.62Å; L1404-Y1409 HydrophobicContact CG-CE1 4.34Å; L1404-F1419 HydrophobicContact CD1-CD1 3.8Å; L1404-F1419 HydrophobicContact CD1-CE1 4.3Å; L1404-F1419 HydrophobicContact CD2-CE1 4.24Å |
| 1405 | T | 60.9 | Low | 67.7 | Low | 62 Ų | 62 | 48.9 Ų | 48.9 | 38% | 0.38 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 131.4 | 170.7 | 55 | 0 | 0 | 0 | 0 | 109.8 | E1407 | T1405-E1407 VanDerWaalsContact C-N 3.25Å; T1405-E1407 PolarHBondContact O-N 2.87Å |
| 1406 | N | 54.7 | Low | 68.1 | Low | 145 Ų | 145 | 45.2 Ų | 45.2 | 78% | 0.775 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -17.6 | -20.8 | -165.4 | -63.6 | 14.4 | 0 | 0 | 0 | 123.5 | ||
| 1407 | E | 48.2 | Very low | 68.8 | Low | 65 Ų | 65 | 44.6 Ų | 44.6 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | 1 | -157.3 | -75.7 | -177.9 | -158.8 | 0 | 0 | 117.9 | Q1314 T1405 S1583 M1585 | Q1314-E1407 PolarHBondContact NE2-OE2 2.61Å; T1405-E1407 VanDerWaalsContact C-N 3.25Å; T1405-E1407 PolarHBondContact O-N 2.87Å; E1407-S1583 VanDerWaalsContact OE1-CB 3.28Å; E1407-S1583 WeakPolarHBondContact OE1-CB 3.21Å; E1407-S1583 PolarHBondContact OE1-OG 3.4Å; E1407-M1585 HydrophobicContact CB-CE 3.28Å; E1407-M1585 HydrophobicContact CG-CE 4.25Å; E1407-M1585 WeakPolarHBondContact OE2-CE 3.42Å |
| 1408 | R | 50.1 | Low | 69.3 | Low | 66 Ų | 66 | 43.9 Ų | 43.9 | 25% | 0.249 | 25% | 0.249 | C | C | . | . | trans | -135 | 117.4 | -178.9 | -62 | -173.4 | -175.9 | -179.7 | 2.8 | 113.1 | Y1412 M1585 C1586 E1587 | R1408-Y1412 HydrophobicContact CB-CE2 4.34Å; R1408-Y1412 PolarHBondContact NH1-OH 2.81Å; R1408-M1585 HydrophobicContact CG-CE 3.67Å; R1408-M1585 VanDerWaalsContact CZ-SD 3.59Å; R1408-M1585 VanDerWaalsContact NE-CE 3.32Å; R1408-M1585 PolarHBondContact NE-SD 2.68Å; R1408-M1585 PolarHBondContact NH2-SD 3.47Å; R1408-C1586 PolarHBondContact NH2-O 3.2Å; R1408-E1587 IonicContact NH1-OE2 3.82Å; R1408-E1587 PolarHBondContact NH1-OE2 3.45Å | ||
| 1409 | Y | 56.9 | Low | 69.5 | Low | 48 Ų | 48 | 44.2 Ų | 44.2 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | trans | -125.3 | -41.6 | -173.6 | -63.7 | -90.6 | 0 | 0 | 0 | 115.7 | L1123 L1404 F1419 | L1123-Y1409 HydrophobicContact CB-CD1 4.25Å; L1123-Y1409 HydrophobicContact CB-CE1 3.87Å; L1123-Y1409 HydrophobicContact CD1-CD1 4.25Å; L1404-Y1409 HydrophobicContact CB-CE1 4.19Å; L1404-Y1409 HydrophobicContact CD1-CD1 3.97Å; L1404-Y1409 HydrophobicContact CD1-CE1 3.62Å; L1404-Y1409 HydrophobicContact CG-CE1 4.34Å; Y1409-F1419 WeakPolarHBondContact O-CZ 3.43Å | ||
| 1410 | P | 52.9 | Low | 69.5 | Low | 69 Ų | 69 | 44.2 Ų | 44.2 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -83.9 | -31 | -172 | -16.3 | 32.5 | 0 | 0 | 0 | 116.4 | V1317 Y1412 | V1317-P1410 HydrophobicContact CG2-CG 4.27Å; P1410-Y1412 VanDerWaalsContact C-N 3.32Å; P1410-Y1412 PolarHBondContact O-N 3.06Å |
| 1411 | T | 55 | Low | 69.6 | Low | 103 Ų | 103 | 44.7 Ų | 44.7 | 63% | 0.632 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -7.6 | -158.1 | 45.3 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1412 | Y | 60 | Low | 69.8 | Low | 49 Ų | 49 | 43.3 Ų | 43.3 | 19% | 0.192 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | 9.9 | -172.7 | -44.8 | -68.2 | 0 | 0 | 0 | 113.4 | W1126 P1166 F1167 R1408 P1410 E1587 | W1126-Y1412 WeakPolarHBondContact CZ2-O 3.42Å; P1166-Y1412 HydrophobicContact CB-CD1 3.94Å; P1166-Y1412 HydrophobicContact CB-CG 4.08Å; P1166-Y1412 HydrophobicContact CG-CG 4.24Å; F1167-Y1412 AromaticContact CD1-CD2 3.59Å; F1167-Y1412 HydrophobicContact CD1-CD2 3.59Å; F1167-Y1412 AromaticContact CD1-CE2 3.93Å; F1167-Y1412 HydrophobicContact CD1-CE2 3.93Å; F1167-Y1412 HydrophobicContact CD1-CG 4.13Å; F1167-Y1412 HydrophobicContact CE1-CD2 4.04Å; R1408-Y1412 HydrophobicContact CB-CE2 4.34Å; R1408-Y1412 PolarHBondContact NH1-OH 2.81Å; P1410-Y1412 VanDerWaalsContact C-N 3.32Å; P1410-Y1412 PolarHBondContact O-N 3.06Å; Y1412-E1587 PolarHBondContact OH-OE2 2.92Å |
| 1413 | A | 66.4 | Low | 70.1 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 130.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1419 M1443 | A1413-F1419 HydrophobicContact CB-CE2 4.19Å; A1413-F1419 HydrophobicContact CB-CZ 4.41Å; A1413-M1443 HydrophobicContact CB-CE 3.61Å; A1413-M1443 HydrophobicContact CB-CG 3.92Å; A1413-M1443 HydrophobicContact CB-SD 4.06Å |
| 1414 | V | 73.1 | Confident | 70.5 | Confident | 70 Ų | 70 | 43.2 Ų | 43.2 | 42% | 0.424 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -102.5 | 135.7 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | W1126 L1128 G1416 S1417 | W1126-V1414 HydrophobicContact CH2-CG2 4.15Å; W1126-V1414 HydrophobicContact CZ2-CB 4.23Å; W1126-V1414 HydrophobicContact CZ2-CG2 3.94Å; L1128-V1414 HydrophobicContact CD1-CB 4.47Å; V1414-G1416 PolarHBondContact O-N 3.11Å; V1414-S1417 PolarHBondContact N-OG 3.34Å; V1414-S1417 VanDerWaalsContact O-CB 3.23Å; V1414-S1417 WeakPolarHBondContact O-CB 3.41Å; V1414-S1417 PolarHBondContact O-N 3.47Å; V1414-S1417 PolarHBondContact O-OG 3.29Å |
| 1415 | P | 72 | Confident | 71.3 | Confident | 50 Ų | 50 | 42.1 Ų | 42.1 | 33% | 0.325 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 136.1 | 177 | -26.4 | 35.3 | 0 | 0 | 0 | 112.7 | S1417 M1443 N1445 I1448 | P1415-S1417 PolarHBondContact O-N 3.39Å; P1415-M1443 WeakPolarHBondContact CA-O 3.45Å; P1415-N1445 WeakPolarHBondContact CB-OD1 3.47Å; P1415-N1445 WeakPolarHBondContact CG-OD1 3.44Å; P1415-I1448 HydrophobicContact CG-CD1 4.41Å |
| 1416 | G | 72.6 | Confident | 72.4 | Confident | 54 Ų | 54 | 39.3 Ų | 39.3 | 56% | 0.557 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79 | -2.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V1414 M1443 | V1414-G1416 PolarHBondContact O-N 3.11Å; G1416-M1443 PolarHBondContact N-O 3.07Å |
| 1417 | S | 84.6 | Confident | 73.8 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | trans | -80.4 | 165.9 | 158.7 | 74.4 | 0 | 0 | 0 | 0 | 110.7 | W1126 C1127 V1414 P1415 M1443 | W1126-S1417 PolarHBondContact NE1-OG 3.26Å; C1127-S1417 WeakPolarHBondContact O-CB 3.1Å; V1414-S1417 PolarHBondContact N-OG 3.34Å; V1414-S1417 VanDerWaalsContact O-CB 3.23Å; V1414-S1417 WeakPolarHBondContact O-CB 3.41Å; V1414-S1417 PolarHBondContact O-N 3.47Å; V1414-S1417 PolarHBondContact O-OG 3.29Å; P1415-S1417 PolarHBondContact O-N 3.39Å; S1417-M1443 WeakPolarHBondContact O-CB 3.41Å; S1417-M1443 PolarHBondContact O-N 2.97Å | ||
| 1418 | Y | 87.1 | Confident | 75.3 | Confident | 31 Ų | 31 | 34.6 Ų | 34.6 | 12% | 0.122 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 148.8 | 175.9 | 64.3 | -82.5 | 0 | 0 | 0 | 111.2 | C1127 P1129 R1440 L1441 | C1127-Y1418 WeakPolarHBondContact CA-O 3.3Å; C1127-Y1418 HydrophobicContact CB-CD1 3.95Å; C1127-Y1418 HydrophobicContact CB-CD2 3.91Å; C1127-Y1418 HydrophobicContact CB-CE1 3.64Å; C1127-Y1418 HydrophobicContact CB-CE2 3.61Å; C1127-Y1418 HydrophobicContact CB-CG 4.08Å; C1127-Y1418 VanDerWaalsContact CB-CZ 3.46Å; C1127-Y1418 VanDerWaalsContact CB-O 3.27Å; C1127-Y1418 WeakPolarHBondContact CB-O 3.48Å; C1127-Y1418 PolarHBondContact N-O 3.42Å; C1127-Y1418 PolarHBondContact O-N 3.28Å; C1127-Y1418 VanDerWaalsContact O-N 3.13Å; P1129-Y1418 HydrophobicContact CG-CE1 4.49Å; Y1418-R1440 HydrophobicContact CD2-CB 4.18Å; Y1418-R1440 HydrophobicContact CD2-CG 3.89Å; Y1418-R1440 HydrophobicContact CE2-CG 4.05Å; Y1418-L1441 CarbonylContact C-O 3.59Å; Y1418-L1441 WeakPolarHBondContact CA-O 3.34Å; Y1418-L1441 WeakPolarHBondContact CB-O 3.43Å |
| 1419 | F | 86.1 | Confident | 76.7 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 4% | 0.044 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.1 | 166.1 | -63.2 | -93.7 | 0 | 0 | 0 | 108.3 | L1123 W1126 L1404 Y1409 A1413 R1440 L1441 M1443 | L1123-F1419 HydrophobicContact CD1-CB 4.01Å; L1123-F1419 HydrophobicContact CD1-CG 4.42Å; L1123-F1419 HydrophobicContact CD2-CB 3.92Å; L1123-F1419 HydrophobicContact CG-CB 4.41Å; W1126-F1419 HydrophobicContact CB-CD1 3.88Å; W1126-F1419 HydrophobicContact CB-CE1 3.71Å; W1126-F1419 HydrophobicContact CB-CZ 4.49Å; W1126-F1419 AromaticContact CD1-CD1 3.94Å; W1126-F1419 AromaticContact CD1-CE1 3.65Å; W1126-F1419 AromaticContact CD1-CE2 3.94Å; W1126-F1419 AromaticContact CD1-CZ 3.62Å; W1126-F1419 HydrophobicContact CG-CD1 4.24Å; W1126-F1419 AromaticContact CG-CE1 3.83Å; W1126-F1419 HydrophobicContact CG-CE1 3.83Å; W1126-F1419 HydrophobicContact CG-CZ 4.13Å; L1404-F1419 HydrophobicContact CD1-CD1 3.8Å; L1404-F1419 HydrophobicContact CD1-CE1 4.3Å; L1404-F1419 HydrophobicContact CD2-CE1 4.24Å; Y1409-F1419 WeakPolarHBondContact O-CZ 3.43Å; A1413-F1419 HydrophobicContact CB-CE2 4.19Å; A1413-F1419 HydrophobicContact CB-CZ 4.41Å; F1419-R1440 WeakPolarHBondContact O-CA 3.38Å; F1419-L1441 HydrophobicContact CB-CB 4.29Å; F1419-L1441 HydrophobicContact CD2-CD2 4.33Å; F1419-L1441 PolarHBondContact N-O 2.88Å; F1419-L1441 PolarHBondContact O-N 2.94Å; F1419-M1443 HydrophobicContact CD2-CG 4.24Å; F1419-M1443 HydrophobicContact CD2-SD 3.97Å; F1419-M1443 HydrophobicContact CE2-CG 3.99Å; F1419-M1443 HydrophobicContact CE2-SD 3.7Å |
| 1420 | S | 86 | Confident | 77.8 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 139.2 | 173.4 | -164.7 | 0 | 0 | 0 | 0 | 109.7 | T1124 H1125 C1127 | T1124-S1420 PolarHBondContact N-O 3.41Å; T1124-S1420 PolarHBondContact OG1-O 3.14Å; H1125-S1420 PolarHBondContact N-O 2.85Å; H1125-S1420 VanDerWaalsContact N-O 3.09Å; H1125-S1420 PolarHBondContact O-N 3.09Å; C1127-S1420 WeakPolarHBondContact SG-CB 3.3Å |
| 1421 | G | 85 | Confident | 79.3 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 9% | 0.093 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | -160.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | W1122 F1439 | W1122-G1421 CarbonylContact O-C 3.48Å; W1122-G1421 WeakPolarHBondContact O-CA 3.13Å; G1421-F1439 CarbonylContact C-O 3.47Å; G1421-F1439 PolarHBondContact N-O 3.4Å; G1421-F1439 PolarHBondContact O-N 2.73Å |
| 1422 | A | 86.3 | Confident | 80.6 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 10% | 0.099 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 166.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | W1122 Y1437 | W1122-A1422 VanDerWaalsContact CD1-O 3.28Å; W1122-A1422 PolarHBondContact N-O 2.96Å; W1122-A1422 VanDerWaalsContact N-O 3.08Å; W1122-A1422 PolarHBondContact NE1-O 3.42Å; W1122-A1422 PolarHBondContact O-N 2.73Å; W1122-A1422 VanDerWaalsContact O-N 3.1Å; A1422-Y1437 CarbonylContact C-O 2.85Å; A1422-Y1437 WeakPolarHBondContact CA-O 3.22Å; A1422-Y1437 VanDerWaalsContact CB-O 3.22Å; A1422-Y1437 WeakPolarHBondContact CB-O 3.25Å |
| 1423 | I | 86.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.3 | 178.4 | -178.6 | 170.6 | 0 | 0 | 0 | 109.4 | I1095 D1120 I1121 F1293 F1425 T1436 Y1437 F1439 | I1095-I1423 HydrophobicContact CD1-CG2 3.4Å; I1095-I1423 VanDerWaalsContact CD1-CG2 3.4Å; D1120-I1423 CarbonylContact O-C 3.55Å; D1120-I1423 VanDerWaalsContact O-CA 3.25Å; D1120-I1423 WeakPolarHBondContact O-CA 3.37Å; D1120-I1423 WeakPolarHBondContact O-CG1 3.27Å; I1121-I1423 HydrophobicContact CD1-CD1 3.96Å; I1121-I1423 HydrophobicContact CG1-CB 3.99Å; I1121-I1423 HydrophobicContact CG1-CD1 3.65Å; I1121-I1423 HydrophobicContact CG1-CG1 3.72Å; F1293-I1423 HydrophobicContact CE1-CD1 4.5Å; I1423-F1425 HydrophobicContact CD1-CD1 4.32Å; I1423-F1425 HydrophobicContact CD1-CE1 3.45Å; I1423-F1425 VanDerWaalsContact CD1-CE1 3.45Å; I1423-F1425 HydrophobicContact CD1-CZ 3.58Å; I1423-F1425 HydrophobicContact CG1-CD1 4.33Å; I1423-F1425 HydrophobicContact CG1-CE1 3.84Å; I1423-F1425 HydrophobicContact CG1-CE2 4.4Å; I1423-F1425 HydrophobicContact CG1-CZ 3.87Å; I1423-F1425 HydrophobicContact CG2-CE2 4.06Å; I1423-F1425 HydrophobicContact CG2-CZ 3.96Å; I1423-T1436 WeakPolarHBondContact O-CA 3.45Å; I1423-Y1437 PolarHBondContact N-O 3.5Å; I1423-Y1437 PolarHBondContact O-N 3.08Å; I1423-F1439 HydrophobicContact CG2-CB 4.44Å |
| 1424 | G | 85.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 148.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110 | P1119 D1120 | P1119-G1424 VanDerWaalsContact CA-O 3.31Å; P1119-G1424 WeakPolarHBondContact CA-O 3.36Å; D1120-G1424 PolarHBondContact N-O 3.06Å; D1120-G1424 PolarHBondContact O-N 2.74Å |
| 1425 | F | 86.4 | Confident | 82.8 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | -23.1 | 177.2 | -66 | -67.5 | 0 | 0 | 0 | 114.3 | L1088 P1090 I1095 I1106 L1108 I1117 Q1118 P1119 I1423 Y1437 | L1088-F1425 HydrophobicContact CD2-CB 3.64Å; P1090-F1425 HydrophobicContact CB-CE2 4.15Å; P1090-F1425 HydrophobicContact CG-CE2 4.43Å; I1095-F1425 HydrophobicContact CD1-CE2 4.18Å; I1095-F1425 HydrophobicContact CD1-CZ 4.03Å; I1106-F1425 HydrophobicContact CD1-CE1 4.36Å; I1106-F1425 HydrophobicContact CD1-CZ 3.79Å; I1106-F1425 HydrophobicContact CG2-CZ 4.4Å; L1108-F1425 HydrophobicContact CD1-CB 4.33Å; L1108-F1425 HydrophobicContact CD1-CD1 3.69Å; L1108-F1425 HydrophobicContact CD1-CE1 4.17Å; L1108-F1425 HydrophobicContact CD1-CG 4.09Å; L1108-F1425 HydrophobicContact CD2-CD1 4Å; L1108-F1425 HydrophobicContact CD2-CD2 4.02Å; L1108-F1425 HydrophobicContact CD2-CE1 3.96Å; L1108-F1425 HydrophobicContact CD2-CE2 3.99Å; L1108-F1425 HydrophobicContact CD2-CG 4.02Å; L1108-F1425 HydrophobicContact CD2-CZ 3.96Å; L1108-F1425 HydrophobicContact CG-CD1 4.43Å; I1117-F1425 VanDerWaalsContact CA-O 3.26Å; I1117-F1425 WeakPolarHBondContact CA-O 3.39Å; Q1118-F1425 PolarHBondContact N-O 2.74Å; Q1118-F1425 CarbonylContact O-C 3.54Å; P1119-F1425 HydrophobicContact CB-CD1 4.1Å; P1119-F1425 HydrophobicContact CB-CE1 4.45Å; I1423-F1425 HydrophobicContact CD1-CD1 4.32Å; I1423-F1425 HydrophobicContact CD1-CE1 3.45Å; I1423-F1425 VanDerWaalsContact CD1-CE1 3.45Å; I1423-F1425 HydrophobicContact CD1-CZ 3.58Å; I1423-F1425 HydrophobicContact CG1-CD1 4.33Å; I1423-F1425 HydrophobicContact CG1-CE1 3.84Å; I1423-F1425 HydrophobicContact CG1-CE2 4.4Å; I1423-F1425 HydrophobicContact CG1-CZ 3.87Å; I1423-F1425 HydrophobicContact CG2-CE2 4.06Å; I1423-F1425 HydrophobicContact CG2-CZ 3.96Å; F1425-Y1437 AromaticContact CD2-CD2 3.65Å; F1425-Y1437 HydrophobicContact CD2-CD2 3.65Å; F1425-Y1437 AromaticContact CD2-CE2 3.89Å; F1425-Y1437 HydrophobicContact CD2-CE2 3.89Å; F1425-Y1437 AromaticContact CE2-CD2 3.64Å; F1425-Y1437 HydrophobicContact CE2-CD2 3.64Å; F1425-Y1437 HydrophobicContact CE2-CE2 4.2Å; F1425-Y1437 HydrophobicContact CE2-CG 4.34Å |
| 1426 | Y | 84.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 127.1 | -178 | -77 | -83 | 0 | 0 | 0 | 111 | T977 R1086 G1087 L1088 E1115 S1428 L1431 H1432 V1435 | T977-Y1426 PolarHBondContact OG1-OH 3.08Å; R1086-Y1426 HydrophobicContact CB-CE1 3.86Å; G1087-Y1426 PolarHBondContact N-OH 2.82Å; L1088-Y1426 HydrophobicContact CB-CE1 3.92Å; L1088-Y1426 HydrophobicContact CB-CE2 4.06Å; L1088-Y1426 PolarHBondContact N-OH 3.2Å; E1115-Y1426 WeakPolarHBondContact OE2-CE1 3.44Å; Y1426-S1428 VanDerWaalsContact C-N 3.29Å; Y1426-S1428 PolarHBondContact O-N 3.38Å; Y1426-S1428 VanDerWaalsContact O-N 3.08Å; Y1426-L1431 HydrophobicContact CD1-CD1 4.19Å; Y1426-L1431 HydrophobicContact CD2-CB 4.22Å; Y1426-L1431 HydrophobicContact CE1-CD1 4.23Å; Y1426-L1431 HydrophobicContact CG-CB 4.04Å; Y1426-L1431 HydrophobicContact CG-CD1 4.37Å; Y1426-H1432 WeakPolarHBondContact O-CB 3.31Å; Y1426-H1432 PolarHBondContact O-ND1 2.69Å; Y1426-V1435 HydrophobicContact CD2-CB 3.9Å; Y1426-V1435 HydrophobicContact CD2-CG1 4.27Å; Y1426-V1435 HydrophobicContact CD2-CG2 4.29Å; Y1426-V1435 HydrophobicContact CE2-CB 3.85Å; Y1426-V1435 HydrophobicContact CE2-CG1 3.74Å; Y1426-V1435 HydrophobicContact CE2-CG2 4.18Å |
| 1427 | D | 83.4 | Confident | 84 | Confident | 77 Ų | 77 | 35.1 Ų | 35.1 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | trans | -78.4 | 82.9 | 161.1 | 169.4 | 25.5 | 0 | 0 | 0 | 108.6 | S1116 Q1118 | S1116-D1427 WeakPolarHBondContact CB-OD2 3.26Å; S1116-D1427 PolarHBondContact O-N 3.12Å; S1116-D1427 PolarHBondContact OG-O 3.04Å; S1116-D1427 VanDerWaalsContact OG-O 3.06Å; Q1118-D1427 HydrophobicContact CB-CB 3.88Å | ||
| 1428 | S | 81 | Confident | 84.1 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 25% | 0.245 | 21% | 0.21 | C | C | . | . | trans | -165.6 | 123 | 176.9 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | Y1426 L1430 L1431 H1432 | Y1426-S1428 VanDerWaalsContact C-N 3.29Å; Y1426-S1428 PolarHBondContact O-N 3.38Å; Y1426-S1428 VanDerWaalsContact O-N 3.08Å; S1428-L1430 PolarHBondContact O-N 3.29Å; S1428-L1431 PolarHBondContact O-N 2.96Å; S1428-H1432 VanDerWaalsContact O-CB 3.3Å; S1428-H1432 WeakPolarHBondContact O-CB 3.38Å; S1428-H1432 PolarHBondContact O-N 3.11Å | ||
| 1429 | N | 78.1 | Confident | 84.1 | Confident | 176 Ų | 176 | 36.4 Ų | 36.4 | 94% | 0.941 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -21.3 | 177.6 | -66 | -14.3 | 0 | 0 | 0 | 114.8 | ||
| 1430 | L | 81.5 | Confident | 84.2 | Confident | 61 Ų | 61 | 41.3 Ų | 41.3 | 32% | 0.319 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -25.8 | 177.6 | -73.2 | 173.3 | 0 | 0 | 0 | 113.9 | Q1051 S1428 L1434 | Q1051-L1430 HydrophobicContact CB-CD1 4.07Å; S1428-L1430 PolarHBondContact O-N 3.29Å; L1430-L1434 WeakPolarHBondContact O-CD1 3.39Å |
| 1431 | L | 84.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -23.3 | -171.1 | -64.1 | -173.3 | 0 | 0 | 0 | 114.4 | A978 I980 R1086 Y1426 S1428 N1433 L1434 V1435 | A978-L1431 HydrophobicContact CB-CD1 3.88Å; A978-L1431 HydrophobicContact CB-CD2 4.08Å; I980-L1431 HydrophobicContact CD1-CD1 3.9Å; I980-L1431 HydrophobicContact CD1-CG 4.18Å; I980-L1431 HydrophobicContact CG1-CD1 4.14Å; I980-L1431 HydrophobicContact CG1-CD2 4.08Å; I980-L1431 HydrophobicContact CG1-CG 4.28Å; R1086-L1431 HydrophobicContact CB-CD1 4.15Å; R1086-L1431 HydrophobicContact CG-CD1 3.82Å; Y1426-L1431 HydrophobicContact CD1-CD1 4.19Å; Y1426-L1431 HydrophobicContact CD2-CB 4.22Å; Y1426-L1431 HydrophobicContact CE1-CD1 4.23Å; Y1426-L1431 HydrophobicContact CG-CB 4.04Å; Y1426-L1431 HydrophobicContact CG-CD1 4.37Å; S1428-L1431 PolarHBondContact O-N 2.96Å; L1431-N1433 PolarHBondContact O-N 2.73Å; L1431-L1434 PolarHBondContact O-N 3.4Å; L1431-V1435 HydrophobicContact CB-CG2 3.96Å; L1431-V1435 HydrophobicContact CD2-CG2 3.86Å; L1431-V1435 HydrophobicContact CG-CG2 4.34Å; L1431-V1435 PolarHBondContact O-N 3.39Å |
| 1432 | H | 81.2 | Confident | 84.2 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 11% | 0.106 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -56.6 | -173.8 | -171.6 | 67.2 | 0 | 0 | 0 | 112.5 | Q1118 D1120 W1122 Y1426 S1428 L1434 | Q1118-H1432 PolarHBondContact O-CE1 3.26Å; Q1118-H1432 PolarHBondContact O-ND1 2.85Å; D1120-H1432 WeakPolarHBondContact CB-NE2 3.23Å; D1120-H1432 IonicContact OD2-NE2 3.97Å; W1122-H1432 AromaticContact CH2-CD2 3.99Å; W1122-H1432 WeakPolarHBondContact CH2-O 3.19Å; W1122-H1432 AromaticContact CZ3-CD2 3.91Å; W1122-H1432 AromaticContact CZ3-NE2 3.76Å; Y1426-H1432 WeakPolarHBondContact O-CB 3.31Å; Y1426-H1432 PolarHBondContact O-ND1 2.69Å; S1428-H1432 VanDerWaalsContact O-CB 3.3Å; S1428-H1432 WeakPolarHBondContact O-CB 3.38Å; S1428-H1432 PolarHBondContact O-N 3.11Å; H1432-L1434 VanDerWaalsContact C-N 3.26Å; H1432-L1434 PolarHBondContact O-N 2.92Å |
| 1433 | N | 79.6 | Confident | 84.1 | Confident | 124 Ų | 124 | 43.2 Ų | 43.2 | 66% | 0.663 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 4.1 | -179.9 | -60.5 | 8.2 | 0 | 0 | 0 | 113.5 | L1431 T1436 | L1431-N1433 PolarHBondContact O-N 2.73Å; N1433-T1436 WeakPolarHBondContact O-CG2 3.38Å |
| 1434 | L | 81.7 | Confident | 83.4 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -33.3 | -164.9 | -140.4 | 167.6 | 0 | 0 | 0 | 111.6 | G1053 P1055 L1430 L1431 H1432 | G1053-L1434 WeakPolarHBondContact O-CD1 3.45Å; P1055-L1434 HydrophobicContact CG-CD2 4.34Å; L1430-L1434 WeakPolarHBondContact O-CD1 3.39Å; L1431-L1434 PolarHBondContact O-N 3.4Å; H1432-L1434 VanDerWaalsContact C-N 3.26Å; H1432-L1434 PolarHBondContact O-N 2.92Å |
| 1435 | V | 84.9 | Confident | 82 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -109.8 | 75.5 | 177.1 | -165.2 | 0 | 0 | 0 | 0 | 108.6 | T977 A978 P1055 Y1426 L1431 | T977-V1435 WeakPolarHBondContact O-CG1 3Å; A978-V1435 HydrophobicContact CB-CB 4.49Å; A978-V1435 HydrophobicContact CB-CG1 4.28Å; A978-V1435 HydrophobicContact CB-CG2 3.46Å; A978-V1435 VanDerWaalsContact CB-CG2 3.46Å; P1055-V1435 HydrophobicContact CB-CG1 4.32Å; P1055-V1435 HydrophobicContact CB-CG2 4.3Å; Y1426-V1435 HydrophobicContact CD2-CB 3.9Å; Y1426-V1435 HydrophobicContact CD2-CG1 4.27Å; Y1426-V1435 HydrophobicContact CD2-CG2 4.29Å; Y1426-V1435 HydrophobicContact CE2-CB 3.85Å; Y1426-V1435 HydrophobicContact CE2-CG1 3.74Å; Y1426-V1435 HydrophobicContact CE2-CG2 4.18Å; L1431-V1435 HydrophobicContact CB-CG2 3.96Å; L1431-V1435 HydrophobicContact CD2-CG2 3.86Å; L1431-V1435 HydrophobicContact CG-CG2 4.34Å; L1431-V1435 PolarHBondContact O-N 3.39Å |
| 1436 | T | 85.3 | Confident | 80.3 | Confident | 55 Ų | 55 | 54 Ų | 54 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.7 | -167.4 | 79.9 | 0 | 0 | 0 | 0 | 110.9 | W1122 I1423 N1433 | W1122-T1436 HydrophobicContact CZ2-CG2 3.62Å; I1423-T1436 WeakPolarHBondContact O-CA 3.45Å; N1433-T1436 WeakPolarHBondContact O-CG2 3.38Å |
| 1437 | Y | 85.3 | Confident | 78.3 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 13% | 0.129 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.3 | 177.9 | -63.8 | -87.8 | 0 | 0 | 0 | 110.7 | L1088 P1090 A1422 I1423 F1425 F1439 | L1088-Y1437 PolarHBondContact O-OH 3.03Å; L1088-Y1437 VanDerWaalsContact O-OH 3.11Å; P1090-Y1437 VanDerWaalsContact CD-OH 3.31Å; P1090-Y1437 WeakPolarHBondContact CD-OH 3.41Å; P1090-Y1437 HydrophobicContact CG-CD1 3.72Å; P1090-Y1437 HydrophobicContact CG-CD2 4.07Å; P1090-Y1437 HydrophobicContact CG-CE1 3.5Å; P1090-Y1437 VanDerWaalsContact CG-CE1 3.5Å; P1090-Y1437 HydrophobicContact CG-CE2 3.86Å; P1090-Y1437 HydrophobicContact CG-CG 4Å; A1422-Y1437 CarbonylContact C-O 2.85Å; A1422-Y1437 WeakPolarHBondContact CA-O 3.22Å; A1422-Y1437 VanDerWaalsContact CB-O 3.22Å; A1422-Y1437 WeakPolarHBondContact CB-O 3.25Å; I1423-Y1437 PolarHBondContact N-O 3.5Å; I1423-Y1437 PolarHBondContact O-N 3.08Å; F1425-Y1437 AromaticContact CD2-CD2 3.65Å; F1425-Y1437 HydrophobicContact CD2-CD2 3.65Å; F1425-Y1437 AromaticContact CD2-CE2 3.89Å; F1425-Y1437 HydrophobicContact CD2-CE2 3.89Å; F1425-Y1437 AromaticContact CE2-CD2 3.64Å; F1425-Y1437 HydrophobicContact CE2-CD2 3.64Å; F1425-Y1437 HydrophobicContact CE2-CE2 4.2Å; F1425-Y1437 HydrophobicContact CE2-CG 4.34Å; Y1437-F1439 PolarHBondContact O-N 3.25Å |
| 1438 | P | 85.5 | Confident | 76 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 125.1 | -177.2 | 24.6 | -33.9 | 0 | 0 | 0 | 111.5 | K1093 N1094 I1095 | K1093-P1438 WeakPolarHBondContact O-CD 3.42Å; N1094-P1438 WeakPolarHBondContact OD1-CG 3.35Å; I1095-P1438 PolarHBondContact N-O 3.32Å |
| 1439 | F | 87.3 | Confident | 73.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136.1 | -179.3 | -176.5 | -101.7 | 0 | 0 | 0 | 110.4 | I1095 L1097 I1121 L1123 F1293 F1319 G1421 I1423 Y1437 L1441 | I1095-F1439 HydrophobicContact CB-CD2 4.1Å; I1095-F1439 HydrophobicContact CG2-CD2 3.57Å; I1095-F1439 HydrophobicContact CG2-CE2 3.86Å; I1095-F1439 CarbonylContact O-C 3.6Å; I1095-F1439 WeakPolarHBondContact O-CA 3.47Å; L1097-F1439 HydrophobicContact CB-CE2 4.25Å; L1097-F1439 HydrophobicContact CB-CZ 4.01Å; L1097-F1439 HydrophobicContact CD2-CZ 4.15Å; I1121-F1439 HydrophobicContact CD1-CE2 4.46Å; I1121-F1439 HydrophobicContact CD1-CZ 4.46Å; I1121-F1439 HydrophobicContact CG2-CD1 3.56Å; I1121-F1439 HydrophobicContact CG2-CE1 3.74Å; I1121-F1439 HydrophobicContact CG2-CG 4.08Å; I1121-F1439 HydrophobicContact CG2-CZ 4.4Å; L1123-F1439 HydrophobicContact CD2-CD1 3.72Å; L1123-F1439 HydrophobicContact CD2-CE1 3.93Å; F1293-F1439 AromaticContact CE2-CE2 3.64Å; F1293-F1439 HydrophobicContact CE2-CE2 3.64Å; F1293-F1439 HydrophobicContact CE2-CZ 4Å; F1293-F1439 AromaticContact CZ-CE2 3.8Å; F1293-F1439 HydrophobicContact CZ-CE2 3.8Å; F1319-F1439 HydrophobicContact CE1-CZ 4.27Å; F1319-F1439 HydrophobicContact CZ-CE1 4.06Å; F1319-F1439 HydrophobicContact CZ-CZ 4.25Å; G1421-F1439 CarbonylContact C-O 3.47Å; G1421-F1439 PolarHBondContact N-O 3.4Å; G1421-F1439 PolarHBondContact O-N 2.73Å; I1423-F1439 HydrophobicContact CG2-CB 4.44Å; Y1437-F1439 PolarHBondContact O-N 3.25Å; F1439-L1441 HydrophobicContact CE1-CB 4.16Å |
| 1440 | R | 88.3 | Confident | 71.3 | Confident | 114 Ų | 114 | 60.7 Ų | 60.7 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 126 | 175.1 | -64.6 | -176.4 | -178.5 | 173.2 | 2 | 111.6 | I1095 V1096 L1097 Y1418 F1419 | I1095-R1440 PolarHBondContact O-N 2.77Å; V1096-R1440 WeakPolarHBondContact CA-O 3.41Å; V1096-R1440 HydrophobicContact CG2-CB 4.49Å; L1097-R1440 PolarHBondContact N-O 3.43Å; Y1418-R1440 HydrophobicContact CD2-CB 4.18Å; Y1418-R1440 HydrophobicContact CD2-CG 3.89Å; Y1418-R1440 HydrophobicContact CE2-CG 4.05Å; F1419-R1440 WeakPolarHBondContact O-CA 3.38Å |
| 1441 | L | 86.5 | Confident | 68.6 | Low | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.037 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 108.2 | 168.7 | 172.9 | 62.5 | 0 | 0 | 0 | 108.8 | L1097 T1099 L1123 L1295 Y1418 F1419 F1439 | L1097-L1441 HydrophobicContact CD2-CD1 4.2Å; L1097-L1441 HydrophobicContact CG-CD1 4.19Å; L1097-L1441 CarbonylContact O-C 3.59Å; L1097-L1441 VanDerWaalsContact O-CA 3.29Å; L1097-L1441 WeakPolarHBondContact O-CA 3.16Å; T1099-L1441 HydrophobicContact CG2-CD1 3.95Å; T1099-L1441 HydrophobicContact CG2-CG 4.49Å; L1123-L1441 HydrophobicContact CD1-CD2 4.23Å; L1295-L1441 HydrophobicContact CD1-CD1 4.06Å; L1295-L1441 HydrophobicContact CD2-CD1 4.15Å; L1295-L1441 HydrophobicContact CD2-CD2 3.98Å; Y1418-L1441 CarbonylContact C-O 3.59Å; Y1418-L1441 WeakPolarHBondContact CA-O 3.34Å; Y1418-L1441 WeakPolarHBondContact CB-O 3.43Å; F1419-L1441 HydrophobicContact CB-CB 4.29Å; F1419-L1441 HydrophobicContact CD2-CD2 4.33Å; F1419-L1441 PolarHBondContact N-O 2.88Å; F1419-L1441 PolarHBondContact O-N 2.94Å; F1439-L1441 HydrophobicContact CE1-CB 4.16Å |
| 1442 | I | 85.1 | Confident | 65.8 | Low | 44 Ų | 44 | 71.3 Ų | 71.3 | 23% | 0.226 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 134.2 | -178.1 | -62.7 | -178.2 | 0 | 0 | 0 | 110.2 | V1096 L1097 T1099 | V1096-I1442 HydrophobicContact CG1-CD1 3.5Å; V1096-I1442 VanDerWaalsContact CG1-CD1 3.5Å; V1096-I1442 HydrophobicContact CG1-CG1 3.95Å; L1097-I1442 PolarHBondContact O-N 2.99Å; T1099-I1442 PolarHBondContact N-O 3.18Å; T1099-I1442 PolarHBondContact OG1-O 2.75Å |
| 1443 | M | 83.2 | Confident | 63.1 | Low | 31 Ų | 31 | 76.1 Ų | 76.1 | 15% | 0.153 | 42% | 0.419 | C | S | . | . | trans | -94.4 | 112.7 | -177.9 | -59 | -59.8 | -46.7 | 0 | 0 | 111.4 | T1099 A1413 P1415 G1416 S1417 F1419 | T1099-M1443 HydrophobicContact CG2-CE 3.6Å; T1099-M1443 HydrophobicContact CG2-SD 3.59Å; T1099-M1443 VanDerWaalsContact CG2-SD 3.59Å; A1413-M1443 HydrophobicContact CB-CE 3.61Å; A1413-M1443 HydrophobicContact CB-CG 3.92Å; A1413-M1443 HydrophobicContact CB-SD 4.06Å; P1415-M1443 WeakPolarHBondContact CA-O 3.45Å; G1416-M1443 PolarHBondContact N-O 3.07Å; S1417-M1443 WeakPolarHBondContact O-CB 3.41Å; S1417-M1443 PolarHBondContact O-N 2.97Å; F1419-M1443 HydrophobicContact CD2-CG 4.24Å; F1419-M1443 HydrophobicContact CD2-SD 3.97Å; F1419-M1443 HydrophobicContact CE2-CG 3.99Å; F1419-M1443 HydrophobicContact CE2-SD 3.7Å | ||
| 1444 | D | 71.2 | Confident | 60.5 | Low | 41 Ų | 41 | 75.7 Ų | 75.7 | 22% | 0.219 | 42% | 0.421 | C | S | . | . | trans | -88.1 | 159.3 | -178.4 | -60.2 | -52.1 | 0 | 0 | 0 | 112.9 | N1098 T1099 S1100 S1446 | N1098-D1444 WeakPolarHBondContact CB-OD2 3.33Å; T1099-D1444 PolarHBondContact N-OD2 3.48Å; T1099-D1444 VanDerWaalsContact N-OD2 3.15Å; T1099-D1444 WeakPolarHBondContact OG1-CB 3.41Å; T1099-D1444 PolarHBondContact OG1-N 2.96Å; T1099-D1444 PolarHBondContact OG1-OD2 2.9Å; T1099-D1444 VanDerWaalsContact OG1-OD2 3.13Å; S1100-D1444 VanDerWaalsContact CB-OD2 3.3Å; S1100-D1444 WeakPolarHBondContact CB-OD2 3.46Å; S1100-D1444 PolarHBondContact N-OD2 3.15Å; S1100-D1444 PolarHBondContact OG-OD2 2.94Å; D1444-S1446 PolarHBondContact O-N 3.12Å | ||
| 1445 | N | 57.9 | Low | 57.8 | Low | 123 Ų | 123 | 79.6 Ų | 79.6 | 66% | 0.658 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -64.9 | -16.3 | 173.4 | -75.9 | -50.7 | 0 | 0 | 0 | 114 | P1415 N1447 | P1415-N1445 WeakPolarHBondContact CB-OD1 3.47Å; P1415-N1445 WeakPolarHBondContact CG-OD1 3.44Å; N1445-N1447 VanDerWaalsContact C-N 3.27Å; N1445-N1447 PolarHBondContact O-N 3.19Å |
| 1446 | S | 50.2 | Low | 55 | Low | 66 Ų | 66 | 86.4 Ų | 86.4 | 46% | 0.462 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -64.9 | -25.3 | -167.4 | 53.5 | 0 | 0 | 0 | 0 | 114.7 | D1444 | D1444-S1446 PolarHBondContact O-N 3.12Š|
| 1447 | N | 42.2 | Very low | 52.1 | Low | 78 Ų | 78 | 88.6 Ų | 88.6 | 42% | 0.417 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -100.4 | 6.3 | -167.1 | -62.1 | 10.7 | 0 | 0 | 0 | 113.5 | N1445 | N1445-N1447 VanDerWaalsContact C-N 3.27Å; N1445-N1447 PolarHBondContact O-N 3.19Å |
| 1448 | I | 34.6 | Very low | 49.3 | Very low | 119 Ų | 119 | 91.8 Ų | 91.8 | 61% | 0.61 | 51% | 0.513 | S | S | * | . | trans | -128.8 | 59.5 | 178.2 | -43.9 | -179 | 0 | 0 | 0 | 110.5 | P1415 | P1415-I1448 HydrophobicContact CG-CD1 4.41Š| ||
| 1449 | L | 29.3 | Very low | 46.4 | Very low | 144 Ų | 144 | 94 Ų | 94 | 75% | 0.754 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -130.5 | 81.9 | 176.2 | -108.9 | 161.4 | 0 | 0 | 0 | 112.6 | ||
| 1450 | S | 31.7 | Very low | 43.5 | Very low | 88 Ų | 88 | 100.8 Ų | 100.8 | 62% | 0.615 | 56% | 0.562 | S | S | * | * | trans | 43.9 | 90.1 | 153.2 | 61.4 | 0 | 0 | 0 | 0 | 117.9 | K1452 | S1450-K1452 PolarHBondContact O-N 2.96Š| ||
| 1451 | S | 25.3 | Very low | 40.4 | Very low | 124 Ų | 124 | 99.8 Ų | 99.8 | 87% | 0.867 | 57% | 0.568 | S | S | * | * | trans | -68.7 | 66.5 | 150.6 | 60 | 0 | 0 | 0 | 0 | 110.6 | P1453 | S1451-P1453 WeakPolarHBondContact O-CD 3.28Š| ||
| 1452 | K | 24.6 | Very low | 37.4 | Very low | 162 Ų | 162 | 105.2 Ų | 105.2 | 70% | 0.704 | 60% | 0.602 | S | S | * | * | trans | -72.8 | 120.1 | 162.8 | -97.8 | -173.1 | 174 | -179.2 | 0 | 107.4 | S1450 T1454 | S1450-K1452 PolarHBondContact O-N 2.96Å; K1452-T1454 PolarHBondContact O-N 3.48Å | ||
| 1453 | P | 25.2 | Very low | 34.5 | Very low | 124 Ų | 124 | 109.2 Ų | 109.2 | 81% | 0.805 | 63% | 0.628 | S | S | * | * | trans | -77.8 | 66.2 | 174 | 33.7 | -35 | 0 | 0 | 0 | 109.6 | S1451 L1455 | S1451-P1453 WeakPolarHBondContact O-CD 3.28Å; P1453-L1455 VanDerWaalsContact C-N 3.29Å; P1453-L1455 PolarHBondContact O-N 2.98Å | ||
| 1454 | T | 24.5 | Very low | 31.6 | Very low | 115 Ų | 115 | 112.7 Ų | 112.7 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | trans | -70 | 93.9 | 168.3 | 34.5 | 0 | 0 | 0 | 0 | 108.8 | K1452 I1456 | K1452-T1454 PolarHBondContact O-N 3.48Å; T1454-I1456 PolarHBondContact O-N 2.87Å | ||
| 1455 | L | 26.3 | Very low | 29.4 | Very low | 140 Ų | 140 | 117.4 Ų | 117.4 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | trans | -27.2 | 108.8 | 171.3 | -139.8 | 72.3 | 0 | 0 | 0 | 112.7 | P1453 T1457 | P1453-L1455 VanDerWaalsContact C-N 3.29Å; P1453-L1455 PolarHBondContact O-N 2.98Å; L1455-T1457 VanDerWaalsContact C-N 3.27Å; L1455-T1457 HydrophobicContact CD2-CG2 4.3Å; L1455-T1457 HydrophobicContact CG-CG2 4.32Å; L1455-T1457 PolarHBondContact O-N 3.45Å; L1455-T1457 VanDerWaalsContact O-N 3.07Å | ||
| 1456 | I | 25.3 | Very low | 27.7 | Very low | 149 Ų | 149 | 116 Ų | 116 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | trans | -78.8 | 89.8 | 160.9 | -62.1 | -177.5 | 0 | 0 | 0 | 106.9 | T1454 T1458 | T1454-I1456 PolarHBondContact O-N 2.87Å; I1456-T1458 HydrophobicContact CG2-CG2 3.71Å; I1456-T1458 PolarHBondContact O-OG1 2.55Å | ||
| 1457 | T | 25.7 | Very low | 26.4 | Very low | 101 Ų | 101 | 117 Ų | 117 | 62% | 0.62 | 70% | 0.695 | S | S | * | * | trans | -128.3 | 106.2 | 156.2 | 46.1 | 0 | 0 | 0 | 0 | 105.3 | L1455 | L1455-T1457 VanDerWaalsContact C-N 3.27Å; L1455-T1457 HydrophobicContact CD2-CG2 4.3Å; L1455-T1457 HydrophobicContact CG-CG2 4.32Å; L1455-T1457 PolarHBondContact O-N 3.45Å; L1455-T1457 VanDerWaalsContact O-N 3.07Å | ||
| 1458 | T | 25.8 | Very low | 25.7 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 61% | 0.613 | 71% | 0.713 | S | S | * | * | cis | 42.7 | 124 | 36.4 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | I1456 | I1456-T1458 HydrophobicContact CG2-CG2 3.71Å; I1456-T1458 PolarHBondContact O-OG1 2.55Å | ||
| 1459 | T | 24.2 | Very low | 25.5 | Very low | 103 Ų | 103 | 119 Ų | 119 | 63% | 0.632 | 72% | 0.72 | S | S | * | * | cis | -130.1 | 168.4 | 41 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | T1461 | T1459-T1461 WeakPolarHBondContact CB-OG1 3.49Š| ||
| 1460 | N | 26.1 | Very low | 25.2 | Very low | 144 Ų | 144 | 117.5 Ų | 117.5 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | -151.2 | 132.8 | 61.3 | -85.8 | -9.6 | 0 | 0 | 0 | 109.3 | |||||
| 1461 | T | 23.6 | Very low | 25 | Very low | 93 Ų | 93 | 118.7 Ų | 118.7 | 57% | 0.571 | 73% | 0.727 | S | S | * | * | cis | 50.8 | 120.4 | 31.7 | 74.2 | 0 | 0 | 0 | 0 | 112.9 | T1459 | T1459-T1461 WeakPolarHBondContact CB-OG1 3.49Š| ||
| 1462 | T | 22.8 | Very low | 25 | Very low | 120 Ų | 120 | 119 Ų | 119 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | cis | -172.1 | 151.8 | 18 | -1.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1463 | T | 25.2 | Very low | 24.9 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -162.4 | 112.4 | 146.6 | 26 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1464 | T | 23 | Very low | 25 | Very low | 105 Ų | 105 | 117.2 Ų | 117.2 | 64% | 0.644 | 72% | 0.72 | S | S | * | * | 61.5 | 138.1 | 76.1 | 67.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1465 | N | 23.6 | Very low | 24.8 | Very low | 139 Ų | 139 | 116.8 Ų | 116.8 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | cis | -155.1 | 144.2 | -3.2 | -107.4 | -9.4 | 0 | 0 | 0 | 107.9 | ||||
| 1466 | A | 23.4 | Very low | 24.7 | Very low | 93 Ų | 93 | 115.6 Ų | 115.6 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | 53.1 | 83.7 | 85.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1467 | A | 23.1 | Very low | 24.5 | Very low | 89 Ų | 89 | 113.6 Ų | 113.6 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | trans | -162.4 | 128.2 | 147.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1468 | T | 27.3 | Very low | 24.4 | Very low | 128 Ų | 128 | 115.3 Ų | 115.3 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | -171.8 | 167.9 | 63.9 | 31.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1469 | S | 29.8 | Very low | 24.3 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | 55 | 96.1 | 151.5 | 59.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1470 | S | 22.2 | Very low | 24.4 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | -64.4 | 172.4 | 120.2 | -35.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 1471 | P | 28 | Very low | 24.2 | Very low | 112 Ų | 112 | 114.4 Ų | 114.4 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | -126.6 | -166.8 | 10.1 | 41.3 | -20.6 | 0 | 0 | 0 | 111.7 | ||||
| 1472 | V | 25.8 | Very low | 24.3 | Very low | 131 Ų | 131 | 116.7 Ų | 116.7 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | -151.4 | 147.6 | 68.4 | 167.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1473 | L | 22.4 | Very low | 24.3 | Very low | 138 Ų | 138 | 120.6 Ų | 120.6 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | trans | -47.1 | 172.1 | 169.8 | -72.8 | 126.9 | 0 | 0 | 0 | 116.4 | ||||
| 1474 | P | 26.2 | Very low | 24.2 | Very low | 110 Ų | 110 | 120 Ų | 120 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | cis | -125.8 | 134.2 | 6.8 | 21.2 | 1.9 | 0 | 0 | 0 | 115.7 | ||||
| 1475 | S | 21.7 | Very low | 24.3 | Very low | 107 Ų | 107 | 121.8 Ų | 121.8 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | -62 | 141 | 137.2 | 45.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1476 | S | 23.9 | Very low | 24.2 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -133.3 | 114.2 | 158.6 | 59.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1477 | S | 20.9 | Very low | 24.3 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | -82.4 | 112.1 | 179.1 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1478 | V | 24.1 | Very low | 24.4 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | -94.7 | 86.8 | 146 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1479 | I | 23.8 | Very low | 24.3 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | 44.5 | 107.1 | 128.5 | -58.8 | 161.9 | 0 | 0 | 0 | 115.5 | S1481 | I1479-S1481 WeakPolarHBondContact CG2-OG 3.38Å; I1479-S1481 PolarHBondContact O-N 2.81Å | |||
| 1480 | S | 24.7 | Very low | 23.9 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 88% | 0.881 | 75% | 0.748 | S | S | * | * | trans | -66.6 | 111.7 | 145.9 | 53 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1481 | S | 22.5 | Very low | 24.6 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 58% | 0.58 | 75% | 0.746 | S | S | * | * | trans | -149.1 | 130.7 | 164 | 60.2 | 0 | 0 | 0 | 0 | 110.8 | I1479 | I1479-S1481 WeakPolarHBondContact CG2-OG 3.38Å; I1479-S1481 PolarHBondContact O-N 2.81Å | ||
| 1482 | D | 25.6 | Very low | 24.6 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | 55.7 | 106.1 | 163.3 | -49.8 | -37 | 0 | 0 | 0 | 118.8 | ||||
| 1483 | Y | 23.1 | Very low | 24.6 | Very low | 202 Ų | 202 | 138.7 Ų | 138.7 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | 78.3 | 143.7 | 58.5 | -89.7 | -73.9 | 0 | 0 | 0 | 115.6 | |||||
| 1484 | N | 23.3 | Very low | 24.6 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | trans | 68.3 | 94.3 | 147.7 | -72.1 | -33.9 | 0 | 0 | 0 | 118.4 | ||||
| 1485 | N | 24.5 | Very low | 24.5 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | 54.2 | 85.9 | 102.4 | -64.2 | -28.5 | 0 | 0 | 0 | 116.2 | |||||
| 1486 | M | 22.6 | Very low | 24.6 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -132.5 | 119.8 | 130.6 | -82.9 | -145 | 173 | 0 | 0 | 113.1 | ||||
| 1487 | K | 24.9 | Very low | 24.6 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | trans | 67.7 | 71.4 | 140.7 | -61.4 | 164.2 | -177.3 | 162.7 | 0 | 116.3 | K1489 | K1487-K1489 PolarHBondContact O-N 2.83Š| ||
| 1488 | I | 24.7 | Very low | 24.7 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 92% | 0.918 | 72% | 0.723 | S | S | * | * | -52.4 | 123.5 | 125.6 | -65.5 | 173.7 | 0 | 0 | 0 | 106.5 | |||||
| 1489 | K | 25.1 | Very low | 24.9 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | -136.8 | 83.3 | 177.5 | -148.7 | -169.2 | -177.6 | -157.5 | 0 | 112.8 | K1487 | K1487-K1489 PolarHBondContact O-N 2.83Š| ||
| 1490 | E | 22.1 | Very low | 25 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | trans | 68.9 | 159 | 150.5 | -65.1 | -175.8 | 103.8 | 0 | 0 | 121.3 | ||||
| 1491 | P | 37.7 | Very low | 24.9 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | trans | -120.1 | -132.1 | -170.1 | 36.6 | -12.4 | 0 | 0 | 0 | 108.4 | ||||
| 1492 | P | 26.9 | Very low | 25.2 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 62% | 0.623 | 67% | 0.67 | S | S | * | * | cis | -130.4 | 163.8 | -27.3 | 36.1 | -19.7 | 0 | 0 | 0 | 115.4 | ||||
| 1493 | R | 26.2 | Very low | 25.2 | Very low | 243 Ų | 243 | 132.4 Ų | 132.4 | 92% | 0.917 | 65% | 0.653 | S | S | * | * | trans | -150.8 | 128.5 | 141.6 | -97.4 | 141.2 | -164.6 | -141.7 | 3.7 | 108.1 | ||||
| 1494 | K | 22.7 | Very low | 25.4 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 76% | 0.757 | 65% | 0.653 | S | S | * | * | cis | 66 | 125.9 | 48.8 | -77 | -164.9 | 172.6 | -174.6 | 0 | 111.7 | ||||
| 1495 | L | 22.8 | Very low | 25.5 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 65% | 0.654 | 66% | 0.662 | S | S | * | * | cis | -144.3 | -170.4 | 6.3 | -82.2 | 136 | 0 | 0 | 0 | 108.6 | I1497 | L1495-I1497 HydrophobicContact CD2-CD1 3.61Å; L1495-I1497 HydrophobicContact CD2-CG1 4.35Å | ||
| 1496 | L | 23.8 | Very low | 25.8 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 68% | 0.681 | 66% | 0.66 | S | S | * | * | cis | -155.7 | 139.4 | 19.6 | -154.9 | 72.6 | 0 | 0 | 0 | 106 | ||||
| 1497 | I | 24.8 | Very low | 26.2 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 65% | 0.651 | 66% | 0.658 | S | S | * | * | cis | 71.4 | 131.8 | 46.3 | -63 | -172.9 | 0 | 0 | 0 | 112 | L1495 | L1495-I1497 HydrophobicContact CD2-CD1 3.61Å; L1495-I1497 HydrophobicContact CD2-CG1 4.35Å | ||
| 1498 | S | 24.1 | Very low | 26.2 | Very low | 71 Ų | 71 | 131.9 Ų | 131.9 | 50% | 0.497 | 66% | 0.662 | S | S | . | * | cis | -158.1 | 173.5 | -17.9 | 56 | 0 | 0 | 0 | 0 | 108.5 | M1500 | S1498-M1500 PolarHBondContact OG-SD 3.11Š| ||
| 1499 | Y | 26.3 | Very low | 26.3 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | -140.8 | 169.1 | 61.7 | -85.8 | -155.2 | 0 | 0 | 0 | 111.1 | N1575 | Y1499-N1575 WeakPolarHBondContact CD1-ND2 3.41Å; Y1499-N1575 WeakPolarHBondContact CD1-OD1 3.45Å; Y1499-N1575 WeakPolarHBondContact CE1-ND2 3.26Å | |||
| 1500 | M | 26.5 | Very low | 26.5 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 35% | 0.345 | 66% | 0.662 | S | S | . | * | cis | -173.7 | 117.9 | -49.3 | -110.4 | 158.7 | 92.1 | 0 | 0 | 109.6 | S1498 N1574 N1575 N1576 T1577 | S1498-M1500 PolarHBondContact OG-SD 3.11Å; M1500-N1574 VanDerWaalsContact CE-O 3.27Å; M1500-N1574 WeakPolarHBondContact CE-O 3.48Å; M1500-N1575 HydrophobicContact CB-CB 3.6Å; M1500-N1575 HydrophobicContact CE-CB 4.11Å; M1500-N1575 HydrophobicContact CG-CB 4.48Å; M1500-N1576 WeakPolarHBondContact CA-OD1 3.31Å; M1500-N1576 WeakPolarHBondContact CB-OD1 3.19Å; M1500-N1576 VanDerWaalsContact CG-OD1 3.22Å; M1500-N1576 WeakPolarHBondContact CG-OD1 3.23Å; M1500-T1577 PolarHBondContact O-N 2.8Å; M1500-T1577 VanDerWaalsContact O-N 3.09Å | ||
| 1501 | G | 23.8 | Very low | 26.6 | Very low | 24 Ų | 24 | 134 Ų | 134 | 25% | 0.247 | 66% | 0.664 | C | S | . | * | trans | -129.6 | 153.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1576 | G1501-N1576 VanDerWaalsContact C-CB 3.48Å; G1501-N1576 PolarHBondContact N-OD1 3.31Å; G1501-N1576 WeakPolarHBondContact O-CB 3.37Å; G1501-N1576 PolarHBondContact O-ND2 3.23Å; G1501-N1576 VanDerWaalsContact O-ND2 3.12Å; G1501-N1576 PolarHBondContact O-OD1 3.1Å | ||
| 1502 | L | 27.8 | Very low | 26 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 51% | 0.513 | 66% | 0.663 | S | S | . | * | trans | -76.5 | 170.5 | -171.7 | -124.3 | 174.8 | 0 | 0 | 0 | 114.4 | N1576 | L1502-N1576 HydrophobicContact CB-CB 4.32Å; L1502-N1576 WeakPolarHBondContact CB-O 3.25Å; L1502-N1576 WeakPolarHBondContact CD1-O 3.31Å; L1502-N1576 HydrophobicContact CG-CB 4.09Å; L1502-N1576 WeakPolarHBondContact CG-O 3.45Å | ||
| 1503 | S | 25.5 | Very low | 25.9 | Very low | 59 Ų | 59 | 139 Ų | 139 | 41% | 0.413 | 68% | 0.677 | S | S | . | * | trans | -146.2 | 104.3 | -156.2 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | E1505 | S1503-E1505 VanDerWaalsContact C-N 3.26Å; S1503-E1505 PolarHBondContact O-N 3.05Å | ||
| 1504 | I | 26.6 | Very low | 25.8 | Very low | 154 Ų | 154 | 132 Ų | 132 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | S | Bend | 64.2 | -28.7 | 129.9 | -65.6 | 172.7 | 0 | 0 | 0 | 119.8 | |||
| 1505 | E | 27 | Very low | 25.9 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -85.2 | -14.5 | -174.1 | -65.5 | -174.9 | 150.2 | 0 | 0 | 114.3 | S1503 L1507 | S1503-E1505 VanDerWaalsContact C-N 3.26Å; S1503-E1505 PolarHBondContact O-N 3.05Å; E1505-L1507 VanDerWaalsContact C-N 3.27Å; E1505-L1507 PolarHBondContact O-N 2.88Å |
| 1506 | D | 30.3 | Very low | 26 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -78.6 | -2.1 | 178 | -65.5 | -54.4 | 0 | 0 | 0 | 114.4 | ||
| 1507 | L | 31.1 | Very low | 26.2 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -98.7 | -11 | -166 | -104.2 | 165.9 | 0 | 0 | 0 | 116.4 | E1505 | E1505-L1507 VanDerWaalsContact C-N 3.27Å; E1505-L1507 PolarHBondContact O-N 2.88Å |
| 1508 | E | 24.8 | Very low | 26.2 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -103.8 | -10.4 | -175.5 | -65.1 | -167.1 | 146.1 | 0 | 0 | 114.7 | I1510 Q1511 | E1508-I1510 VanDerWaalsContact C-N 3.32Å; E1508-I1510 PolarHBondContact O-N 2.95Å; E1508-Q1511 PolarHBondContact O-N 3Å |
| 1509 | W | 26.7 | Very low | 26.2 | Very low | 230 Ų | 230 | 138 Ų | 138 | 87% | 0.871 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -11.5 | -179.5 | -94.9 | 92.4 | 0 | 0 | 0 | 115.6 | ||
| 1510 | I | 29 | Very low | 26.2 | Very low | 152 Ų | 152 | 135 Ų | 135 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -14.1 | 178.6 | -65.5 | 177.6 | 0 | 0 | 0 | 111.7 | E1508 C1512 | E1508-I1510 VanDerWaalsContact C-N 3.32Å; E1508-I1510 PolarHBondContact O-N 2.95Å; I1510-C1512 PolarHBondContact O-N 2.89Å |
| 1511 | Q | 25.2 | Very low | 26.2 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 27.9 | -174.8 | -157.7 | 169.1 | -18.4 | 0 | 0 | 114 | E1508 | E1508-Q1511 PolarHBondContact O-N 3Š|
| 1512 | C | 23.8 | Very low | 26.3 | Very low | 108 Ų | 108 | 145 Ų | 145 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | 16.2 | -175 | -88 | 0 | 0 | 0 | 0 | 116.3 | I1510 | I1510-C1512 PolarHBondContact O-N 2.89Š|
| 1513 | F | 25.9 | Very low | 26.1 | Very low | 207 Ų | 207 | 145.2 Ų | 145.2 | 91% | 0.908 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -139.1 | 12.3 | 177.9 | -113.5 | -80.1 | 0 | 0 | 0 | 115.8 | ||
| 1514 | A | 23.5 | Very low | 26 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -121.7 | 13.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1515 | E | 23.8 | Very low | 25.9 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -118.9 | 160.9 | 161.3 | -69.3 | -164.1 | 160.5 | 0 | 0 | 109.4 | ||
| 1516 | L | 26.5 | Very low | 25.8 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 57% | 0.565 | 74% | 0.736 | S | S | * | * | trans | 76.2 | 33.7 | 176.9 | -65.1 | 158.5 | 0 | 0 | 0 | 118.4 | L1518 | L1516-L1518 HydrophobicContact CD2-CD1 4.27Š| ||
| 1517 | F | 26.5 | Very low | 25.5 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | trans | -111 | 71.1 | 139.7 | -115 | -87 | 0 | 0 | 0 | 111.8 | ||||
| 1518 | L | 25.7 | Very low | 25.4 | Very low | 123 Ų | 123 | 149 Ų | 149 | 64% | 0.644 | 73% | 0.731 | S | S | * | * | trans | -67.7 | 158.8 | 152.5 | -74.9 | 163.6 | 0 | 0 | 0 | 109.2 | L1516 | L1516-L1518 HydrophobicContact CD2-CD1 4.27Š| ||
| 1519 | F | 24.9 | Very low | 25.7 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 62% | 0.618 | 73% | 0.732 | S | S | * | * | cis | 176.3 | 154.2 | -17.9 | -154.3 | -111.7 | 0 | 0 | 0 | 106.4 | ||||
| 1520 | N | 24.7 | Very low | 25.8 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 59% | 0.588 | 73% | 0.729 | S | S | * | * | trans | 66.8 | 154.9 | -179.5 | -53.9 | -48.3 | 0 | 0 | 0 | 114.8 | R1522 | N1520-R1522 HydrophobicContact CB-CB 4.48Å; N1520-R1522 WeakPolarHBondContact OD1-CD 3.25Å | ||
| 1521 | S | 28.1 | Very low | 25.8 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | cis | -108.3 | 143.9 | 10.8 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1522 | R | 24 | Very low | 25.8 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | cis | 48.7 | 100 | 10 | -78.5 | -173 | 173.5 | -167.9 | 0.4 | 114.9 | N1520 | N1520-R1522 HydrophobicContact CB-CB 4.48Å; N1520-R1522 WeakPolarHBondContact OD1-CD 3.25Å | ||
| 1523 | S | 25 | Very low | 26 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | 117.1 | -179.8 | 70.6 | -173.4 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 1524 | I | 23.7 | Very low | 26.1 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 72% | 0.723 | 68% | 0.679 | S | S | * | * | trans | 67.9 | 139.9 | 169.9 | -15.2 | -177 | 0 | 0 | 0 | 111.6 | ||||
| 1525 | E | 23.4 | Very low | 26.3 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | -166.2 | 165.8 | 51.7 | -84 | -171.5 | 177.9 | 0 | 0 | 109.7 | |||||
| 1526 | H | 25.7 | Very low | 26.4 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 58% | 0.579 | 66% | 0.663 | S | S | * | * | cis | -165.1 | 164.1 | -0.3 | -119.8 | -17.4 | 0 | 0 | 0 | 114.2 | ||||
| 1527 | Q | 23.2 | Very low | 26.5 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 59% | 0.593 | 67% | 0.669 | S | S | * | * | trans | 51.2 | 124.1 | 144.4 | -61.7 | 170.1 | 29.2 | 0 | 0 | 123.3 | ||||
| 1528 | Y | 29.8 | Very low | 26.3 | Very low | 193 Ų | 193 | 133.4 Ų | 133.4 | 76% | 0.757 | 66% | 0.663 | S | S | * | * | 166.9 | 139.8 | 111.6 | -98 | -69.1 | 0 | 0 | 0 | 115.9 | |||||
| 1529 | K | 30.7 | Very low | 26.1 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 76% | 0.761 | 67% | 0.666 | S | S | * | * | trans | 55.7 | 106.7 | 149 | -76.4 | 160.3 | -179.2 | 172.1 | 0 | 124.4 | ||||
| 1530 | K | 27.9 | Very low | 26.1 | Very low | 188 Ų | 188 | 133.9 Ų | 133.9 | 82% | 0.817 | 67% | 0.668 | S | S | * | * | 64.9 | 133.5 | 110.9 | -84.9 | -167 | 169.4 | -166.9 | 0 | 125.9 | |||||
| 1531 | N | 29 | Very low | 26.1 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | trans | 93.2 | 135.7 | 139.6 | -80.4 | 47.3 | 0 | 0 | 0 | 121.6 | N1543 | N1531-N1543 PolarHBondContact O-ND2 3.43Š| ||
| 1532 | E | 26.3 | Very low | 26.1 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 62% | 0.617 | 65% | 0.645 | S | S | * | * | trans | -101.3 | 168.7 | -173.1 | -44.2 | 132.3 | 108.9 | 0 | 0 | 114.8 | ||||
| 1533 | N | 28.7 | Very low | 26.4 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 58% | 0.583 | 64% | 0.635 | S | S | * | * | trans | 147.8 | 125.8 | 133.2 | -87.4 | -79.3 | 0 | 0 | 0 | 116.3 | N1541 H1542 | N1533-N1541 WeakPolarHBondContact O-CB 3.49Å; N1533-H1542 WeakPolarHBondContact O-CB 3.44Å; N1533-H1542 PolarHBondContact O-CD2 2.89Å; N1533-H1542 VanDerWaalsContact O-CD2 3.27Å | ||
| 1534 | S | 28.3 | Very low | 26.5 | Very low | 51 Ų | 51 | 125.8 Ų | 125.8 | 36% | 0.357 | 62% | 0.623 | S | S | . | * | trans | 114.8 | 113.1 | 130.6 | 88.5 | 0 | 0 | 0 | 0 | 121.4 | N1541 | S1534-N1541 CarbonylContact C-O 3.56Å; S1534-N1541 WeakPolarHBondContact O-CA 3.45Å; S1534-N1541 WeakPolarHBondContact O-CB 3.28Å; S1534-N1541 PolarHBondContact O-N 3.32Å | ||
| 1535 | L | 27 | Very low | 26.6 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 65% | 0.654 | 62% | 0.624 | S | S | * | * | trans | 66 | 154.3 | 151.1 | -78.2 | 80.9 | 0 | 0 | 0 | 116.3 | H1540 N1541 | L1535-H1540 CarbonylContact O-C 3.55Å; L1535-H1540 VanDerWaalsContact O-O 3.07Å; L1535-N1541 PolarHBondContact O-N 2.92Å; L1535-N1541 VanDerWaalsContact O-N 3.1Å | ||
| 1536 | N | 24.6 | Very low | 26.7 | Very low | 121 Ų | 121 | 123 Ų | 123 | 65% | 0.647 | 62% | 0.621 | S | S | * | * | cis | 90.9 | 113.1 | 19.1 | -167.7 | 32.2 | 0 | 0 | 0 | 115 | ||||
| 1537 | N | 29.2 | Very low | 26.6 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 71 | -179.4 | -168.8 | -46.7 | -77.5 | 0 | 0 | 0 | 114.5 | N1539 | N1537-N1539 PolarHBondContact O-N 3.04Š|
| 1538 | N | 23.2 | Very low | 26.6 | Very low | 141 Ų | 141 | 126 Ų | 126 | 75% | 0.754 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -53.7 | 119.4 | -175.7 | -54.8 | -30.8 | 0 | 0 | 0 | 112.8 | ||
| 1539 | N | 21.1 | Very low | 26.3 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 71% | 0.711 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 68.4 | 148.2 | -178.3 | -44.4 | -55.8 | 0 | 0 | 0 | 114.4 | N1537 | N1537-N1539 PolarHBondContact O-N 3.04Š|
| 1540 | H | 24.7 | Very low | 26.1 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 66% | 0.657 | 63% | 0.631 | S | S | * | * | trans | 68.6 | 158.5 | -178 | -46.7 | -64.1 | 0 | 0 | 0 | 113.2 | L1535 | L1535-H1540 CarbonylContact O-C 3.55Å; L1535-H1540 VanDerWaalsContact O-O 3.07Å | ||
| 1541 | N | 24.9 | Very low | 26.3 | Very low | 75 Ų | 75 | 116.4 Ų | 116.4 | 40% | 0.401 | 62% | 0.624 | S | S | . | * | cis | -159.1 | 149.7 | -22.1 | -110.1 | 7.5 | 0 | 0 | 0 | 111.3 | N1533 S1534 L1535 | N1533-N1541 WeakPolarHBondContact O-CB 3.49Å; S1534-N1541 CarbonylContact C-O 3.56Å; S1534-N1541 WeakPolarHBondContact O-CA 3.45Å; S1534-N1541 WeakPolarHBondContact O-CB 3.28Å; S1534-N1541 PolarHBondContact O-N 3.32Å; L1535-N1541 PolarHBondContact O-N 2.92Å; L1535-N1541 VanDerWaalsContact O-N 3.1Å | ||
| 1542 | H | 28.8 | Very low | 26 | Very low | 106 Ų | 106 | 115.2 Ų | 115.2 | 49% | 0.491 | 63% | 0.625 | S | S | . | * | trans | 50.7 | 121.8 | 153.5 | -69.8 | -74.7 | 0 | 0 | 0 | 124.5 | N1533 | N1533-H1542 WeakPolarHBondContact O-CB 3.44Å; N1533-H1542 PolarHBondContact O-CD2 2.89Å; N1533-H1542 VanDerWaalsContact O-CD2 3.27Å | ||
| 1543 | N | 29.8 | Very low | 26.3 | Very low | 95 Ų | 95 | 117.2 Ų | 117.2 | 51% | 0.508 | 63% | 0.634 | S | S | . | * | 69.4 | 145.4 | 125.6 | -56.8 | 4.9 | 0 | 0 | 0 | 119 | N1531 | N1531-N1543 PolarHBondContact O-ND2 3.43Š| |||
| 1544 | S | 26.6 | Very low | 26.5 | Very low | 69 Ų | 69 | 117.6 Ų | 117.6 | 48% | 0.483 | 64% | 0.641 | S | S | . | * | cis | 70.7 | 139.9 | 37.8 | 104.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1545 | D | 25.5 | Very low | 26.6 | Very low | 137 Ų | 137 | 119.4 Ų | 119.4 | 73% | 0.733 | 65% | 0.653 | S | S | * | * | cis | -137.9 | 155 | 11.5 | -94.9 | -73.1 | 0 | 0 | 0 | 109.8 | ||||
| 1546 | C | 24.9 | Very low | 26.3 | Very low | 98 Ų | 98 | 119.2 Ų | 119.2 | 66% | 0.662 | 66% | 0.657 | S | S | * | * | 63.4 | 134.7 | 72.5 | -146.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1547 | K | 24.4 | Very low | 26.3 | Very low | 182 Ų | 182 | 119.1 Ų | 119.1 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | trans | 76.1 | 159.6 | 172.4 | -62.9 | 180 | -172.8 | 174.2 | 0 | 115.3 | ||||
| 1548 | D | 23.1 | Very low | 26.3 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 71% | 0.711 | 65% | 0.654 | S | S | * | * | cis | -132.9 | 171.2 | 23.2 | -115.2 | -38.4 | 0 | 0 | 0 | 117.3 | ||||
| 1549 | T | 23.2 | Very low | 26.3 | Very low | 106 Ų | 106 | 116.5 Ų | 116.5 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | trans | -15.2 | 148.4 | 162.8 | 53.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1550 | D | 26.2 | Very low | 26.4 | Very low | 139 Ų | 139 | 117.7 Ų | 117.7 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | -166.2 | 166.3 | 83.1 | -121.3 | -33.5 | 0 | 0 | 0 | 117.4 | |||||
| 1551 | T | 32.7 | Very low | 26.4 | Very low | 110 Ų | 110 | 118 Ų | 118 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | trans | 50.8 | 109.3 | 158.3 | 51.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1552 | S | 22.1 | Very low | 26.2 | Very low | 88 Ų | 88 | 120.5 Ų | 120.5 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | 81.8 | 156.6 | 63.8 | 76.7 | 0 | 0 | 0 | 0 | 115 | |||||
| 1553 | H | 33.1 | Very low | 26.1 | Very low | 174 Ų | 174 | 122.3 Ų | 122.3 | 81% | 0.806 | 67% | 0.665 | S | S | * | * | trans | 73.4 | 130.4 | -164.7 | -48 | -66.8 | 0 | 0 | 0 | 112.7 | ||||
| 1554 | T | 33 | Very low | 25.8 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 72% | 0.724 | 67% | 0.667 | S | S | * | * | cis | -143.3 | 126.6 | -1 | 24.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1555 | S | 29.8 | Very low | 25.7 | Very low | 89 Ų | 89 | 125 Ų | 125 | 62% | 0.622 | 67% | 0.671 | S | S | * | * | 42.1 | 115.8 | 96.2 | 68.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1556 | T | 22.4 | Very low | 25.7 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 74% | 0.742 | 67% | 0.673 | S | S | * | * | 58.6 | 123.3 | 53 | 74.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1557 | H | 24.2 | Very low | 25.6 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 55% | 0.551 | 68% | 0.675 | S | S | * | * | trans | 60.5 | 171.1 | 154.7 | -78.4 | -64 | 0 | 0 | 0 | 119.2 | N1559 | H1557-N1559 PolarHBondContact CE1-OD1 2.93Å; H1557-N1559 PolarHBondContact ND1-OD1 3.12Å | ||
| 1558 | P | 27.7 | Very low | 25.7 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 67% | 0.669 | S | S | * | * | cis | -124.1 | 143.7 | -12.6 | 14.9 | 8.7 | 0 | 0 | 0 | 115.6 | ||||
| 1559 | N | 23.4 | Very low | 25.9 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 55% | 0.551 | 66% | 0.662 | S | S | * | * | 41.3 | 144.5 | 120.1 | -43.7 | 10.7 | 0 | 0 | 0 | 122.8 | H1557 | H1557-N1559 PolarHBondContact CE1-OD1 2.93Å; H1557-N1559 PolarHBondContact ND1-OD1 3.12Å | |||
| 1560 | H | 23.3 | Very low | 25.9 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | trans | 83.4 | 158.2 | 135.8 | -74.2 | -36.1 | 0 | 0 | 0 | 121.3 | ||||
| 1561 | H | 24.7 | Very low | 26.1 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 68% | 0.681 | 67% | 0.665 | S | S | * | * | trans | 67.2 | 104.6 | 179.8 | -61.3 | -70.3 | 0 | 0 | 0 | 113.9 | ||||
| 1562 | E | 22.3 | Very low | 25.7 | Very low | 128 Ų | 128 | 133 Ų | 133 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | 69.3 | 132.9 | 77.2 | -73.5 | -168.8 | 123.7 | 0 | 0 | 110.4 | K1564 | E1562-K1564 WeakPolarHBondContact OE1-CE 3.35Å; E1562-K1564 IonicContact OE1-NZ 2.71Å; E1562-K1564 PolarHBondContact OE1-NZ 3.13Å; E1562-K1564 IonicContact OE2-NZ 3.78Å | |||
| 1563 | E | 26.5 | Very low | 25.8 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 67% | 0.673 | 68% | 0.682 | S | S | * | * | cis | -132.8 | 157 | 33.5 | -75.5 | -165.7 | 117 | 0 | 0 | 112.6 | ||||
| 1564 | K | 22 | Very low | 25.4 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 56% | 0.561 | 67% | 0.669 | S | S | * | * | 41 | 139.7 | 84.5 | -29.4 | 162.3 | -162.7 | 137.6 | 0 | 111.9 | E1562 | E1562-K1564 WeakPolarHBondContact OE1-CE 3.35Å; E1562-K1564 IonicContact OE1-NZ 2.71Å; E1562-K1564 PolarHBondContact OE1-NZ 3.13Å; E1562-K1564 IonicContact OE2-NZ 3.78Å | |||
| 1565 | T | 24.3 | Very low | 25 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 56% | 0.564 | 65% | 0.647 | S | S | * | * | cis | -166 | 165.5 | 39.7 | -41.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1566 | Y | 26.8 | Very low | 25.1 | Very low | 195 Ų | 195 | 129.2 Ų | 129.2 | 77% | 0.765 | 63% | 0.634 | S | S | * | * | trans | 77 | 149.6 | 167.2 | -52.4 | -74.6 | 0 | 0 | 0 | 117.8 | ||||
| 1567 | Q | 22.6 | Very low | 25.8 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | cis | 176.4 | 153.8 | -44.4 | -114 | -175.2 | -15.6 | 0 | 0 | 108.7 | ||||
| 1568 | L | 25.3 | Very low | 26.1 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | trans | 65.9 | 121.2 | 154.6 | -91.5 | 67.7 | 0 | 0 | 0 | 120.1 | ||||
| 1569 | D | 27.7 | Very low | 26.2 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 56% | 0.556 | 63% | 0.631 | S | S | * | * | trans | 71 | 113.4 | 136.5 | -61.7 | -30.7 | 0 | 0 | 0 | 119.8 | ||||
| 1570 | K | 23.7 | Very low | 26.3 | Very low | 185 Ų | 185 | 128.5 Ų | 128.5 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | 79.3 | 154.9 | 63.1 | -76.1 | -173.2 | -158.3 | 119.7 | 0 | 113.3 | |||||
| 1571 | P | 31.5 | Very low | 26.4 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 66% | 0.656 | 64% | 0.636 | S | S | * | * | cis | -133.2 | 178.9 | 3.3 | 43.2 | -28.2 | 0 | 0 | 0 | 116.4 | ||||
| 1572 | Y | 24.4 | Very low | 26.2 | Very low | 209 Ų | 209 | 123.2 Ų | 123.2 | 82% | 0.82 | 64% | 0.635 | S | S | * | * | trans | 68.7 | 123.1 | 149.7 | -81.8 | -65.5 | 0 | 0 | 0 | 123 | ||||
| 1573 | E | 23.7 | Very low | 26.1 | Very low | 177 Ų | 177 | 118.4 Ų | 118.4 | 83% | 0.827 | 62% | 0.615 | S | S | * | * | trans | 79.9 | 126.8 | 138.9 | -106.4 | 176.4 | -130.9 | 0 | 0 | 123.7 | ||||
| 1574 | N | 23.7 | Very low | 25.9 | Very low | 98 Ų | 98 | 114.1 Ų | 114.1 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | trans | 70.4 | 121.1 | 157.5 | -150.9 | 16.6 | 0 | 0 | 0 | 120.3 | M1500 | M1500-N1574 VanDerWaalsContact CE-O 3.27Å; M1500-N1574 WeakPolarHBondContact CE-O 3.48Å | ||
| 1575 | N | 25.3 | Very low | 26 | Very low | 52 Ų | 52 | 109.2 Ų | 109.2 | 28% | 0.278 | 58% | 0.576 | S | S | . | * | trans | 57.3 | 132.8 | 180 | -30.7 | -99.6 | 0 | 0 | 0 | 115.6 | Y1499 M1500 | Y1499-N1575 WeakPolarHBondContact CD1-ND2 3.41Å; Y1499-N1575 WeakPolarHBondContact CD1-OD1 3.45Å; Y1499-N1575 WeakPolarHBondContact CE1-ND2 3.26Å; M1500-N1575 HydrophobicContact CB-CB 3.6Å; M1500-N1575 HydrophobicContact CE-CB 4.11Å; M1500-N1575 HydrophobicContact CG-CB 4.48Å | ||
| 1576 | N | 31.2 | Very low | 25.9 | Very low | 63 Ų | 63 | 107.4 Ų | 107.4 | 34% | 0.337 | 57% | 0.567 | S | S | . | * | -151.6 | 120.6 | 103.5 | -105.9 | -12.4 | 0 | 0 | 0 | 106.3 | M1500 G1501 L1502 | M1500-N1576 WeakPolarHBondContact CA-OD1 3.31Å; M1500-N1576 WeakPolarHBondContact CB-OD1 3.19Å; M1500-N1576 VanDerWaalsContact CG-OD1 3.22Å; M1500-N1576 WeakPolarHBondContact CG-OD1 3.23Å; G1501-N1576 VanDerWaalsContact C-CB 3.48Å; G1501-N1576 PolarHBondContact N-OD1 3.31Å; G1501-N1576 WeakPolarHBondContact O-CB 3.37Å; G1501-N1576 PolarHBondContact O-ND2 3.23Å; G1501-N1576 VanDerWaalsContact O-ND2 3.12Å; G1501-N1576 PolarHBondContact O-OD1 3.1Å; L1502-N1576 HydrophobicContact CB-CB 4.32Å; L1502-N1576 WeakPolarHBondContact CB-O 3.25Å; L1502-N1576 WeakPolarHBondContact CD1-O 3.31Å; L1502-N1576 HydrophobicContact CG-CB 4.09Å; L1502-N1576 WeakPolarHBondContact CG-O 3.45Å | |||
| 1577 | T | 38.5 | Very low | 25.6 | Very low | 104 Ų | 104 | 99.5 Ų | 99.5 | 64% | 0.638 | 54% | 0.537 | S | S | * | . | trans | -137.9 | 98.1 | -168.8 | 46.7 | 0 | 0 | 0 | 0 | 111.2 | M1500 | M1500-T1577 PolarHBondContact O-N 2.8Å; M1500-T1577 VanDerWaalsContact O-N 3.09Å | ||
| 1578 | N | 28.6 | Very low | 25.7 | Very low | 96 Ų | 96 | 96.2 Ų | 96.2 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | trans | -161 | 147.2 | 173.6 | -94.3 | -13.3 | 0 | 0 | 0 | 106.5 | ||||
| 1579 | H | 29.9 | Very low | 25.6 | Very low | 170 Ų | 170 | 95.6 Ų | 95.6 | 79% | 0.787 | 52% | 0.521 | S | S | * | . | cis | -96.7 | 162.7 | -23.9 | -82.6 | -98.4 | 0 | 0 | 0 | 107.7 | ||||
| 1580 | G | 26.2 | Very low | 25.5 | Very low | 67 Ų | 67 | 96.3 Ų | 96.3 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | cis | 81.9 | 131.6 | 36.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1581 | S | 24.5 | Very low | 25.7 | Very low | 102 Ų | 102 | 94 Ų | 94 | 71% | 0.713 | 52% | 0.52 | S | S | * | . | cis | -136 | -175.5 | 10.4 | 48.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1582 | S | 21.2 | Very low | 25.4 | Very low | 92 Ų | 92 | 96.5 Ų | 96.5 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | 34.5 | 145.9 | 73.9 | 134.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1583 | S | 21.1 | Very low | 25.4 | Very low | 27 Ų | 27 | 91 Ų | 91 | 19% | 0.189 | 52% | 0.515 | C | S | . | . | trans | 64.6 | 85.9 | -168.4 | -63.4 | 0 | 0 | 0 | 0 | 113 | E1407 N1793 | E1407-S1583 VanDerWaalsContact OE1-CB 3.28Å; E1407-S1583 WeakPolarHBondContact OE1-CB 3.21Å; E1407-S1583 PolarHBondContact OE1-OG 3.4Å; S1583-N1793 PolarHBondContact O-ND2 3.4Å; S1583-N1793 PolarHBondContact O-OD1 3.07Å; S1583-N1793 VanDerWaalsContact O-OD1 3.09Å | ||
| 1584 | N | 21.6 | Very low | 26.2 | Very low | 55 Ų | 55 | 92 Ų | 92 | 29% | 0.294 | 52% | 0.517 | S | S | . | . | cis | 72.7 | 82.6 | 19.9 | 110.2 | 172.5 | 0 | 0 | 0 | 112.6 | L1791 N1793 | N1584-L1791 HydrophobicContact CB-CB 3.5Å; N1584-L1791 VanDerWaalsContact CB-CB 3.5Å; N1584-L1791 WeakPolarHBondContact CB-O 3.31Å; N1584-L1791 WeakPolarHBondContact O-CD2 3.4Å; N1584-N1793 VanDerWaalsContact N-CG 3.31Å; N1584-N1793 PolarHBondContact N-ND2 3.17Å; N1584-N1793 PolarHBondContact N-OD1 3.38Å | ||
| 1585 | M | 24.7 | Very low | 26.6 | Very low | 26 Ų | 26 | 91.9 Ų | 91.9 | 13% | 0.128 | 52% | 0.52 | C | S | . | . | trans | -165 | 104.7 | 177.3 | -105 | -173.5 | -174 | 0 | 0 | 112.2 | E1407 R1408 L1791 I1792 N1793 S1794 | E1407-M1585 HydrophobicContact CB-CE 3.28Å; E1407-M1585 HydrophobicContact CG-CE 4.25Å; E1407-M1585 WeakPolarHBondContact OE2-CE 3.42Å; R1408-M1585 HydrophobicContact CG-CE 3.67Å; R1408-M1585 VanDerWaalsContact CZ-SD 3.59Å; R1408-M1585 VanDerWaalsContact NE-CE 3.32Å; R1408-M1585 PolarHBondContact NE-SD 2.68Å; R1408-M1585 PolarHBondContact NH2-SD 3.47Å; M1585-L1791 HydrophobicContact CG-CD2 4.48Å; M1585-I1792 CarbonylContact C-O 3.51Å; M1585-I1792 PolarHBondContact N-O 3.44Å; M1585-N1793 PolarHBondContact N-OD1 3.38Å; M1585-N1793 VanDerWaalsContact N-OD1 3.13Å; M1585-N1793 CarbonylContact O-C 3.54Å; M1585-N1793 WeakPolarHBondContact O-CA 3.14Å; M1585-S1794 WeakPolarHBondContact O-CA 3.35Å; M1585-S1794 PolarHBondContact O-N 2.98Å | ||
| 1586 | C | 21 | Very low | 26.7 | Very low | 53 Ų | 53 | 95.4 Ų | 95.4 | 36% | 0.358 | 54% | 0.539 | S | S | . | . | 39.6 | 125.5 | 97.4 | -70.6 | 0 | 0 | 0 | 0 | 116.7 | R1408 L1791 I1792 | R1408-C1586 PolarHBondContact NH2-O 3.2Å; C1586-L1791 HydrophobicContact CB-CD2 4.35Å; C1586-I1792 PolarHBondContact N-O 3.04Å | |||
| 1587 | E | 22.3 | Very low | 26.6 | Very low | 29 Ų | 29 | 100.7 Ų | 100.7 | 14% | 0.136 | 57% | 0.566 | C | S | . | * | trans | 75 | 140.3 | 176.5 | -53.4 | -156.5 | 126.9 | 0 | 0 | 111.8 | K1224 R1408 Y1412 S1794 | K1224-E1587 IonicContact NZ-OE1 3.86Å; K1224-E1587 PolarHBondContact NZ-OE1 2.82Å; R1408-E1587 IonicContact NH1-OE2 3.82Å; R1408-E1587 PolarHBondContact NH1-OE2 3.45Å; Y1412-E1587 PolarHBondContact OH-OE2 2.92Å; E1587-S1794 WeakPolarHBondContact O-CA 3.41Å; E1587-S1794 WeakPolarHBondContact O-CB 3.49Å | ||
| 1588 | N | 24.9 | Very low | 26 | Very low | 81 Ų | 81 | 100.8 Ų | 100.8 | 43% | 0.433 | 57% | 0.567 | S | S | . | * | 54.9 | 137 | 58.1 | -52.8 | -62.9 | 0 | 0 | 0 | 109.7 | |||||
| 1589 | L | 22.8 | Very low | 25.9 | Very low | 116 Ų | 116 | 103.9 Ų | 103.9 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | -147.8 | 142.4 | 56.1 | -80.7 | 163.8 | 0 | 0 | 0 | 114.1 | |||||
| 1590 | I | 24 | Very low | 25.6 | Very low | 120 Ų | 120 | 101 Ų | 101 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | trans | 68.3 | 110.9 | 140.8 | -64.5 | 168.3 | 0 | 0 | 0 | 116.4 | ||||
| 1591 | N | 29.3 | Very low | 25.6 | Very low | 137 Ų | 137 | 106.6 Ų | 106.6 | 73% | 0.733 | 57% | 0.57 | S | S | * | * | trans | 26.8 | 107.5 | 132.3 | -46.3 | -13 | 0 | 0 | 0 | 117 | ||||
| 1592 | N | 24.2 | Very low | 25.7 | Very low | 153 Ų | 153 | 112.6 Ų | 112.6 | 82% | 0.818 | 58% | 0.577 | S | S | * | * | -148.7 | 162 | 117.5 | -92.3 | -46 | 0 | 0 | 0 | 108.2 | |||||
| 1593 | V | 24.6 | Very low | 26 | Very low | 92 Ų | 92 | 111.2 Ų | 111.2 | 56% | 0.558 | 58% | 0.578 | S | S | * | * | trans | 58.2 | 95.8 | 170.2 | -177.1 | 0 | 0 | 0 | 0 | 113.6 | D1596 | V1593-D1596 VanDerWaalsContact CG1-N 3.3Š| ||
| 1594 | K | 40.2 | Very low | 26.3 | Very low | 200 Ų | 200 | 121.4 Ų | 121.4 | 87% | 0.87 | 61% | 0.612 | S | S | * | * | S | Bend | cis | 52.7 | 60.4 | 21.2 | -166.5 | -168.1 | 178.4 | -171.7 | 0 | 110.7 | ||
| 1595 | T | 32 | Very low | 26.6 | Very low | 94 Ų | 94 | 126 Ų | 126 | 58% | 0.577 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 56.2 | 106.3 | 174.2 | 59 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1596 | D | 28.8 | Very low | 26.9 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 67% | 0.674 | 67% | 0.665 | S | S | * | * | -177 | 111.6 | 126.6 | -91.3 | -17.4 | 0 | 0 | 0 | 112.2 | V1593 | V1593-D1596 VanDerWaalsContact CG1-N 3.3Š| |||
| 1597 | L | 27.5 | Very low | 27.1 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 91% | 0.911 | 68% | 0.684 | S | S | * | * | trans | -119.9 | 104.6 | 130 | -112.2 | 177.3 | 0 | 0 | 0 | 106.4 | ||||
| 1598 | T | 26 | Very low | 27.5 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | trans | -71.5 | 142.2 | 178.5 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1599 | D | 27.8 | Very low | 27.5 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 87% | 0.866 | 73% | 0.726 | S | S | * | * | trans | -141.5 | 153.7 | 145.3 | -146.2 | -16.2 | 0 | 0 | 0 | 111.5 | ||||
| 1600 | E | 24.1 | Very low | 28.2 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 51% | 0.509 | 73% | 0.726 | S | S | . | * | trans | -81.7 | 131.5 | -163.5 | -63.3 | -175.7 | -178 | 0 | 0 | 114.6 | ||||
| 1601 | R | 26 | Very low | 28.4 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | 151.6 | 140.6 | 112.7 | -91.6 | 133.8 | -161.6 | -135.3 | 4.1 | 115.3 | |||||
| 1602 | R | 26.4 | Very low | 28.3 | Very low | 228 Ų | 228 | 139.5 Ų | 139.5 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | trans | 36.9 | 134.4 | 134.8 | -53.1 | 173.8 | -173.3 | -167.4 | 0.2 | 118.9 | ||||
| 1603 | G | 26.2 | Very low | 28.5 | Very low | 63 Ų | 63 | 138.4 Ų | 138.4 | 65% | 0.649 | 72% | 0.72 | S | S | * | * | cis | 150.8 | -178.3 | 5.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1604 | W | 28.9 | Very low | 28.5 | Very low | 242 Ų | 242 | 139.2 Ų | 139.2 | 92% | 0.917 | 73% | 0.725 | S | S | * | * | trans | 73 | 103.7 | -167.1 | -53 | -8.4 | 0 | 0 | 0 | 110.8 | ||||
| 1605 | D | 27.6 | Very low | 27.9 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | cis | 62.7 | 112.7 | 48.1 | -45.6 | -59.7 | 0 | 0 | 0 | 113 | ||||
| 1606 | A | 29.5 | Very low | 27.7 | Very low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 72% | 0.719 | S | S | * | * | 162.4 | 112.1 | 116.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1607 | D | 27.1 | Very low | 27.6 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | 31.5 | 123.8 | 128.9 | -43.9 | -27.8 | 0 | 0 | 0 | 120.8 | |||||
| 1608 | N | 28.8 | Very low | 27.4 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | 177 | 140.9 | 91.8 | -88.4 | -77.1 | 0 | 0 | 0 | 109 | |||||
| 1609 | N | 26.8 | Very low | 27.4 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | cis | 71.4 | 153.3 | 44.3 | -138.9 | 30.4 | 0 | 0 | 0 | 111.8 | ||||
| 1610 | P | 36.3 | Very low | 27.4 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 62% | 0.617 | 71% | 0.71 | S | S | * | * | cis | -146.3 | 169.9 | 13.3 | 45.2 | -26 | 0 | 0 | 0 | 120.2 | ||||
| 1611 | N | 27.8 | Very low | 27.7 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | 61.2 | 155.7 | 142.8 | -65.5 | 13 | 0 | 0 | 0 | 121 | ||||
| 1612 | N | 28.3 | Very low | 27.8 | Very low | 119 Ų | 119 | 137 Ų | 137 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | cis | -161.4 | -164.4 | 0.3 | -114.5 | 27.9 | 0 | 0 | 0 | 107.6 | ||||
| 1613 | D | 27.4 | Very low | 27.9 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | cis | -171.9 | 172.1 | -0.2 | -108.8 | -27.9 | 0 | 0 | 0 | 106.8 | ||||
| 1614 | V | 25.3 | Very low | 28.1 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 66% | 0.661 | 71% | 0.714 | S | S | * | * | cis | -171.2 | 159.1 | -26.5 | 87.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1615 | N | 27.4 | Very low | 28 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 67% | 0.674 | 70% | 0.695 | S | S | * | * | trans | 61.2 | 153.9 | 166.1 | -70.4 | 37.1 | 0 | 0 | 0 | 120.4 | ||||
| 1616 | D | 27.2 | Very low | 28.1 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 65% | 0.652 | 69% | 0.689 | S | S | * | * | cis | -162.2 | 151.5 | -3.5 | -111.8 | -26.1 | 0 | 0 | 0 | 114.6 | ||||
| 1617 | I | 26.6 | Very low | 28.1 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 71% | 0.713 | 68% | 0.681 | S | S | * | * | trans | 75.7 | 113.3 | 142.9 | -66.6 | 169.8 | 0 | 0 | 0 | 125.7 | ||||
| 1618 | E | 23.8 | Very low | 28.1 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 71% | 0.71 | 66% | 0.662 | S | S | * | * | trans | 68.4 | 130.2 | 136.6 | -67.8 | -160.2 | 111.4 | 0 | 0 | 130.8 | ||||
| 1619 | Q | 25.9 | Very low | 28.1 | Very low | 146 Ų | 146 | 123.5 Ų | 123.5 | 68% | 0.682 | 65% | 0.651 | S | S | * | * | trans | 58.1 | 112.2 | 141.6 | -61.7 | -167.4 | 55 | 0 | 0 | 122.8 | ||||
| 1620 | K | 29.1 | Very low | 28 | Very low | 182 Ų | 182 | 122.8 Ų | 122.8 | 79% | 0.791 | 66% | 0.657 | S | S | * | * | 94.5 | 157 | 77.9 | -83.8 | -171.3 | 169.9 | -167.9 | 0 | 115.9 | |||||
| 1621 | A | 30 | Very low | 27.6 | Very low | 69 Ų | 69 | 123.7 Ų | 123.7 | 57% | 0.57 | 67% | 0.665 | S | S | * | * | cis | -177.7 | 170.7 | -26.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1622 | E | 27.3 | Very low | 27.5 | Very low | 171 Ų | 171 | 124.8 Ų | 124.8 | 80% | 0.799 | 67% | 0.671 | S | S | * | * | trans | 72.2 | 149.6 | 154 | -72.9 | 151.2 | -108.7 | 0 | 0 | 120.7 | ||||
| 1623 | V | 29.3 | Very low | 27.5 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | cis | -169.9 | 149.7 | -13.1 | 111.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1624 | N | 29.6 | Very low | 27.4 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | 54.5 | 151.8 | 159.5 | -70 | 44.2 | 0 | 0 | 0 | 123.3 | ||||
| 1625 | D | 27.3 | Very low | 27.5 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 51% | 0.513 | 70% | 0.696 | S | S | . | * | cis | -163.7 | 168.5 | 1.4 | -131.4 | -36.5 | 0 | 0 | 0 | 117.3 | ||||
| 1626 | Y | 29.3 | Very low | 27.5 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 68% | 0.678 | 70% | 0.701 | S | S | * | * | trans | 59.3 | 90.6 | 158.3 | -76 | -71.2 | 0 | 0 | 0 | 127 | ||||
| 1627 | T | 29.5 | Very low | 27.6 | Very low | 91 Ų | 91 | 131.7 Ų | 131.7 | 56% | 0.558 | 71% | 0.709 | S | S | * | * | 40.9 | 131.5 | 128.3 | 67.6 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1628 | K | 27.9 | Very low | 28 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 37% | 0.365 | 70% | 0.703 | S | S | . | * | 175 | 109.4 | 104.9 | -95.6 | 173.3 | -176.3 | -167.5 | 0 | 117.3 | Q1678 Q1679 | K1628-Q1678 HydrophobicContact CD-CB 3.82Å; K1628-Q1678 HydrophobicContact CD-CG 3.69Å; K1628-Q1679 HydrophobicContact CB-CG 4.49Å; K1628-Q1679 HydrophobicContact CD-CB 4.11Å; K1628-Q1679 HydrophobicContact CD-CG 3.74Å; K1628-Q1679 VanDerWaalsContact CE-CD 3.48Å; K1628-Q1679 HydrophobicContact CG-CG 4.14Å | |||
| 1629 | S | 27.5 | Very low | 28.4 | Very low | 72 Ų | 72 | 126.4 Ų | 126.4 | 50% | 0.503 | 69% | 0.694 | S | S | . | * | trans | 60.1 | 137.7 | 137.5 | 62.8 | 0 | 0 | 0 | 0 | 125.1 | Q1679 | S1629-Q1679 WeakPolarHBondContact OG-CG 3.43Š| ||
| 1630 | S | 26.4 | Very low | 28.8 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | trans | 69 | 142.7 | 158.5 | 51.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1631 | S | 27.2 | Very low | 29.2 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 80% | 0.797 | 67% | 0.67 | S | S | * | * | cis | -147 | 173.7 | 1.7 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1632 | N | 25.3 | Very low | 29.5 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 82% | 0.824 | 68% | 0.678 | S | S | * | * | trans | -49.5 | 139.1 | 179.5 | -51.7 | -1.4 | 0 | 0 | 0 | 114.5 | ||||
| 1633 | E | 27.9 | Very low | 29.8 | Very low | 198 Ų | 198 | 120.2 Ų | 120.2 | 93% | 0.925 | 67% | 0.67 | S | S | * | * | -157.1 | 160.9 | 115.1 | -111.5 | 167 | -163.8 | 0 | 0 | 109.4 | |||||
| 1634 | S | 26.8 | Very low | 29.6 | Very low | 100 Ų | 100 | 120 Ų | 120 | 70% | 0.699 | 66% | 0.664 | S | S | * | * | trans | -111.5 | 137.2 | -171.7 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1635 | D | 26 | Very low | 29.6 | Very low | 166 Ų | 166 | 119.6 Ų | 119.6 | 89% | 0.888 | 66% | 0.662 | S | S | * | * | trans | 66.1 | 138.2 | 176 | -51.3 | -46 | 0 | 0 | 0 | 114.7 | ||||
| 1636 | S | 28.4 | Very low | 29.9 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | cis | -133.4 | 161.1 | 28.7 | 66.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1637 | Q | 29.7 | Very low | 30.9 | Very low | 176 Ų | 176 | 117.8 Ų | 117.8 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | trans | -37.4 | 159.4 | 148 | -71.9 | 166.8 | -18.2 | 0 | 0 | 114.1 | ||||
| 1638 | S | 33.2 | Very low | 31.9 | Very low | 85 Ų | 85 | 117.2 Ų | 117.2 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | cis | -178.2 | 151 | -8.5 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1639 | N | 33.1 | Very low | 32.7 | Very low | 95 Ų | 95 | 119.4 Ų | 119.4 | 51% | 0.508 | 68% | 0.68 | S | S | . | * | trans | 54.9 | 164.8 | 143.6 | -59.3 | 20 | 0 | 0 | 0 | 119.7 | N1668 H1669 | N1639-N1668 PolarHBondContact ND2-O 2.94Å; N1639-H1669 PolarHBondContact ND2-N 2.95Å | ||
| 1640 | D | 35 | Very low | 33.2 | Very low | 82 Ų | 82 | 122 Ų | 122 | 44% | 0.439 | 69% | 0.687 | S | S | . | * | cis | -175.6 | 169.8 | -26.9 | -87.5 | -17.8 | 0 | 0 | 0 | 105.4 | H1669 S1670 | D1640-H1669 WeakPolarHBondContact OD2-CA 3.29Å; D1640-H1669 PolarHBondContact OD2-N 2.81Å; D1640-S1670 PolarHBondContact OD2-N 3.22Å; D1640-S1670 VanDerWaalsContact OD2-N 3.14Å | ||
| 1641 | H | 36.9 | Very low | 33.7 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 53% | 0.528 | 69% | 0.687 | S | S | . | * | cis | -158.7 | -164.9 | -5.1 | -122.7 | -45.7 | 0 | 0 | 0 | 108.2 | H1669 S1670 | H1641-H1669 PolarHBondContact NE2-O 3.07Å; H1641-S1670 PolarHBondContact CE1-O 3.16Å; H1641-S1670 PolarHBondContact NE2-O 2.75Å | ||
| 1642 | N | 36.7 | Very low | 33.9 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | trans | 78 | 147.6 | 159.5 | -58.1 | -26.8 | 0 | 0 | 0 | 119.8 | ||||
| 1643 | T | 32.4 | Very low | 34.3 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 61% | 0.613 | 68% | 0.683 | S | S | * | * | cis | -171.1 | 140.6 | -43 | 22.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1644 | L | 26.4 | Very low | 34.4 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 61% | 0.607 | 68% | 0.677 | S | S | * | * | trans | 37.8 | 113.6 | 150.8 | -74.5 | 76.9 | 0 | 0 | 0 | 121.4 | L1647 | L1644-L1647 WeakPolarHBondContact CA-O 3.33Å; L1644-L1647 HydrophobicContact CB-CD2 3.77Å; L1644-L1647 HydrophobicContact CD2-CD2 4.06Å; L1644-L1647 HydrophobicContact CG-CD2 3.69Å; L1644-L1647 PolarHBondContact N-O 2.78Å; L1644-L1647 VanDerWaalsContact N-O 3.12Å | ||
| 1645 | D | 28.2 | Very low | 34.5 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 66% | 0.663 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 149.6 | 54.5 | 135.6 | -96.3 | -13.6 | 0 | 0 | 0 | 114.4 | L1647 N1648 | D1645-L1647 PolarHBondContact N-O 2.9Å; D1645-L1647 WeakPolarHBondContact OD1-CD2 3.4Å; D1645-N1648 WeakPolarHBondContact CA-ND2 3.32Å; D1645-N1648 PolarHBondContact N-ND2 3.02Å; D1645-N1648 VanDerWaalsContact N-ND2 3.18Å; D1645-N1648 VanDerWaalsContact O-CG 3.29Å; D1645-N1648 PolarHBondContact O-ND2 3.04Å; D1645-N1648 PolarHBondContact O-OD1 3.47Å |
| 1646 | S | 33.6 | Very low | 34.7 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | S | Bend | -157.2 | 51.5 | 82.8 | 35 | 0 | 0 | 0 | 0 | 113.6 | N1648 | S1646-N1648 PolarHBondContact N-OD1 3.3Š| |
| 1647 | L | 51.7 | Low | 34.6 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 61% | 0.607 | 67% | 0.674 | S | S | * | * | S | Bend | cis | -110.8 | 35.1 | 2.9 | -76 | 143.7 | 0 | 0 | 0 | 112.8 | L1644 D1645 | L1644-L1647 WeakPolarHBondContact CA-O 3.33Å; L1644-L1647 HydrophobicContact CB-CD2 3.77Å; L1644-L1647 HydrophobicContact CD2-CD2 4.06Å; L1644-L1647 HydrophobicContact CG-CD2 3.69Å; L1644-L1647 PolarHBondContact N-O 2.78Å; L1644-L1647 VanDerWaalsContact N-O 3.12Å; D1645-L1647 PolarHBondContact N-O 2.9Å; D1645-L1647 WeakPolarHBondContact OD1-CD2 3.4Å |
| 1648 | N | 48.9 | Very low | 34.4 | Very low | 79 Ų | 79 | 123.7 Ų | 123.7 | 42% | 0.422 | 67% | 0.667 | S | S | . | * | trans | 69.4 | 158.5 | 155.8 | -77.5 | -8.7 | 0 | 0 | 0 | 121.1 | D1645 S1646 | D1645-N1648 WeakPolarHBondContact CA-ND2 3.32Å; D1645-N1648 PolarHBondContact N-ND2 3.02Å; D1645-N1648 VanDerWaalsContact N-ND2 3.18Å; D1645-N1648 VanDerWaalsContact O-CG 3.29Å; D1645-N1648 PolarHBondContact O-ND2 3.04Å; D1645-N1648 PolarHBondContact O-OD1 3.47Å; S1646-N1648 PolarHBondContact N-OD1 3.3Å | ||
| 1649 | I | 44.9 | Very low | 34 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 67% | 0.667 | 68% | 0.677 | S | S | * | * | cis | -161.8 | 128.6 | -42.8 | -124.7 | -178 | 0 | 0 | 0 | 111.2 | ||||
| 1650 | I | 39.5 | Very low | 34.1 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 64% | 0.641 | 68% | 0.684 | S | S | * | * | trans | 50.4 | 133.4 | 139.8 | -61.6 | 169.2 | 0 | 0 | 0 | 124 | ||||
| 1651 | E | 37 | Very low | 33.7 | Very low | 178 Ų | 178 | 130.5 Ų | 130.5 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | trans | 60.3 | 157.7 | 156 | -72.4 | 156.4 | -164.6 | 0 | 0 | 122 | ||||
| 1652 | K | 31.3 | Very low | 33.1 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 76% | 0.757 | 71% | 0.713 | S | S | * | * | cis | 117.6 | 116.5 | -5.2 | -137.5 | -174.7 | -167.6 | -179.9 | 0 | 117.5 | ||||
| 1653 | H | 32.1 | Very low | 32.6 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | trans | 91.2 | 154.7 | 161.6 | -69.5 | -70.8 | 0 | 0 | 0 | 122.9 | ||||
| 1654 | A | 31.2 | Very low | 32.3 | Very low | 95 Ų | 95 | 135 Ų | 135 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | 75.5 | 132.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1655 | K | 28.4 | Very low | 32.2 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 86% | 0.857 | 73% | 0.733 | S | S | * | * | cis | 100.1 | 130.6 | 6.4 | -157.4 | -175.6 | -174.4 | 179.9 | 0 | 116.3 | ||||
| 1656 | I | 30.2 | Very low | 32.1 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | trans | 112.9 | 138.1 | 168.2 | -60.1 | 172.5 | 0 | 0 | 0 | 115.6 | ||||
| 1657 | S | 25.8 | Very low | 31.8 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | trans | -48.6 | -179.8 | -173.4 | 63.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1658 | T | 26 | Very low | 30.7 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | cis | -170.5 | 132.7 | 32.3 | -13.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1659 | I | 25.2 | Very low | 29.9 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | 52.7 | 176.6 | 158.8 | -4 | -178.4 | 0 | 0 | 0 | 117.7 | ||||
| 1660 | P | 35.6 | Very low | 29.2 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | -122 | -177.5 | -113.2 | 44.1 | -28.7 | 0 | 0 | 0 | 117.2 | |||||
| 1661 | N | 26.2 | Very low | 28.8 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | trans | 96 | 117.2 | 165.7 | -59.8 | -12.9 | 0 | 0 | 0 | 118.1 | ||||
| 1662 | N | 24.4 | Very low | 28.6 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | trans | 29.1 | 127.5 | 147.2 | -53.7 | 0.2 | 0 | 0 | 0 | 120.9 | ||||
| 1663 | I | 26.8 | Very low | 28.6 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | -177.5 | 134.1 | 110.9 | -93.9 | 158.6 | 0 | 0 | 0 | 112 | |||||
| 1664 | D | 25.6 | Very low | 28.6 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | 62.6 | 179.6 | 160.3 | -58.6 | -8.3 | 0 | 0 | 0 | 123.3 | ||||
| 1665 | F | 24.5 | Very low | 28.6 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 82% | 0.816 | 72% | 0.719 | S | S | * | * | trans | -130.1 | 162 | -143.9 | -91.6 | -106.6 | 0 | 0 | 0 | 116.5 | ||||
| 1666 | N | 25.3 | Very low | 28.7 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | 87.1 | 157.8 | 159 | -55.4 | -47.3 | 0 | 0 | 0 | 120.6 | ||||
| 1667 | V | 27.5 | Very low | 28.6 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 70% | 0.703 | 70% | 0.704 | S | S | * | * | cis | -173.5 | 169.8 | -32.1 | 74.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1668 | N | 27.7 | Very low | 28.9 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 60% | 0.599 | 70% | 0.698 | S | S | * | * | trans | 73.6 | 171.1 | 164.7 | -76.8 | 0.4 | 0 | 0 | 0 | 120.9 | N1639 | N1639-N1668 PolarHBondContact ND2-O 2.94Š| ||
| 1669 | H | 32.1 | Very low | 28.9 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 57% | 0.574 | 69% | 0.688 | S | S | * | * | -168.4 | 126 | -54.1 | -144.4 | -97.4 | 0 | 0 | 0 | 117 | N1639 D1640 H1641 | N1639-H1669 PolarHBondContact ND2-N 2.95Å; D1640-H1669 WeakPolarHBondContact OD2-CA 3.29Å; D1640-H1669 PolarHBondContact OD2-N 2.81Å; H1641-H1669 PolarHBondContact NE2-O 3.07Å | |||
| 1670 | S | 30.6 | Very low | 29.1 | Very low | 44 Ų | 44 | 124.9 Ų | 124.9 | 31% | 0.308 | 69% | 0.691 | S | S | . | * | trans | 77.2 | 147.2 | 143 | 53.3 | 0 | 0 | 0 | 0 | 126.5 | D1640 H1641 | D1640-S1670 PolarHBondContact OD2-N 3.22Å; D1640-S1670 VanDerWaalsContact OD2-N 3.14Å; H1641-S1670 PolarHBondContact CE1-O 3.16Å; H1641-S1670 PolarHBondContact NE2-O 2.75Å | ||
| 1671 | N | 31 | Very low | 28.7 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 78% | 0.775 | 70% | 0.7 | S | S | * | * | trans | 103.6 | 149.2 | 155.4 | -59.1 | -35.5 | 0 | 0 | 0 | 119.9 | ||||
| 1672 | S | 32.9 | Very low | 28.7 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | cis | -176 | 134.6 | -18 | 54.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1673 | E | 31.1 | Very low | 28.8 | Very low | 185 Ų | 185 | 122 Ų | 122 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | trans | 58.2 | 162.5 | 153.4 | -51.2 | -156.5 | 142.3 | 0 | 0 | 123.3 | ||||
| 1674 | T | 32.9 | Very low | 28.6 | Very low | 108 Ų | 108 | 121.4 Ų | 121.4 | 66% | 0.663 | 71% | 0.705 | S | S | * | * | cis | -149.5 | 142.7 | 20.6 | 23 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1675 | I | 31.6 | Very low | 28.5 | Very low | 137 Ų | 137 | 118.7 Ų | 118.7 | 70% | 0.703 | 70% | 0.703 | S | S | * | * | trans | 60.9 | 147.2 | 138.3 | -67.3 | 173.6 | 0 | 0 | 0 | 119.8 | ||||
| 1676 | C | 28.8 | Very low | 28.4 | Very low | 99 Ų | 99 | 115.1 Ų | 115.1 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | cis | -148.7 | -155.9 | 4.9 | -156 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1677 | G | 29.5 | Very low | 28.3 | Very low | 65 Ų | 65 | 114.5 Ų | 114.5 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | trans | 173.8 | -62.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1678 | Q | 31.5 | Very low | 28 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 53% | 0.528 | 71% | 0.707 | S | S | . | * | trans | 72.3 | 97.9 | 177.3 | -48.9 | -133.9 | -1.1 | 0 | 0 | 122.7 | K1628 | K1628-Q1678 HydrophobicContact CD-CB 3.82Å; K1628-Q1678 HydrophobicContact CD-CG 3.69Å | ||
| 1679 | Q | 26.4 | Very low | 27.7 | Very low | 101 Ų | 101 | 115.3 Ų | 115.3 | 47% | 0.472 | 71% | 0.711 | S | S | . | * | trans | 34.7 | 136.4 | 135.7 | -81 | 179.4 | -8.8 | 0 | 0 | 125.2 | K1628 S1629 | K1628-Q1679 HydrophobicContact CB-CG 4.49Å; K1628-Q1679 HydrophobicContact CD-CB 4.11Å; K1628-Q1679 HydrophobicContact CD-CG 3.74Å; K1628-Q1679 VanDerWaalsContact CE-CD 3.48Å; K1628-Q1679 HydrophobicContact CG-CG 4.14Å; S1629-Q1679 WeakPolarHBondContact OG-CG 3.43Å | ||
| 1680 | T | 28.7 | Very low | 27.3 | Very low | 142 Ų | 142 | 116.4 Ų | 116.4 | 87% | 0.871 | 72% | 0.719 | S | S | * | * | -160.6 | 156.7 | 111.7 | 2.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1681 | L | 28.1 | Very low | 26.9 | Very low | 159 Ų | 159 | 120.7 Ų | 120.7 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | -87.6 | 173 | 178.3 | -59.3 | 100.9 | 0 | 0 | 0 | 112 | ||||
| 1682 | G | 25.2 | Very low | 27.2 | Very low | 71 Ų | 71 | 119 Ų | 119 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | cis | 145.2 | 146.9 | -8.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1683 | A | 26.6 | Very low | 26.7 | Very low | 105 Ų | 105 | 119.6 Ų | 119.6 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | trans | 73.8 | 140.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1684 | T | 23 | Very low | 26.3 | Very low | 141 Ų | 141 | 120 Ų | 120 | 87% | 0.865 | 74% | 0.741 | S | S | * | * | trans | -140.1 | 140 | 157 | 44.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1685 | A | 23.6 | Very low | 25.9 | Very low | 91 Ų | 91 | 119.8 Ų | 119.8 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 33.1 | 128.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 1686 | S | 23.2 | Very low | 25.5 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | 57.8 | 116.1 | 134.6 | -55.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1687 | V | 21.4 | Very low | 25.2 | Very low | 135 Ų | 135 | 120.4 Ų | 120.4 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | 75.5 | 141.7 | 62.3 | 177 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1688 | V | 22.4 | Very low | 25 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | 88.9 | 130.9 | -170.7 | -176.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1689 | V | 21.7 | Very low | 24.8 | Very low | 112 Ų | 112 | 127 Ų | 127 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | cis | 165.5 | 123.3 | -31.5 | 144.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1690 | I | 22.6 | Very low | 24.7 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 37.5 | 111.3 | 152 | -51.1 | 170.3 | 0 | 0 | 0 | 118.5 | ||||
| 1691 | T | 23.1 | Very low | 24.4 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | -160 | 129.5 | 124.6 | 22.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1692 | P | 36.3 | Very low | 24.6 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -77.2 | 157.8 | 153 | 35.8 | -33.7 | 0 | 0 | 0 | 109.6 | ||||
| 1693 | P | 24.2 | Very low | 24.5 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | -154.6 | 147 | 97.2 | 38.4 | -19.7 | 0 | 0 | 0 | 118 | |||||
| 1694 | K | 21.6 | Very low | 24.5 | Very low | 193 Ų | 193 | 128.8 Ų | 128.8 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | trans | 39.9 | 100.6 | 133.3 | -61.6 | -170.9 | 176.3 | -174.4 | 0 | 121.8 | ||||
| 1695 | S | 24.7 | Very low | 24.6 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | 50 | 112.7 | 115.4 | 67 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1696 | T | 22.4 | Very low | 24.7 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | trans | -177.9 | 148.9 | 142.4 | 33.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1697 | T | 23.7 | Very low | 24.8 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 69% | 0.693 | 73% | 0.729 | S | S | * | * | cis | -152.6 | 159.3 | -1.6 | 14.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1698 | E | 24.8 | Very low | 25 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | -172.4 | 141.9 | 75.8 | -83 | -172.9 | 159.1 | 0 | 0 | 107.8 | |||||
| 1699 | H | 26.9 | Very low | 25 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | 48.3 | 132.9 | 92.3 | -64.1 | -60 | 0 | 0 | 0 | 115.4 | |||||
| 1700 | N | 24.9 | Very low | 25 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | cis | -155.7 | 148.4 | -3.6 | -88.8 | -28.8 | 0 | 0 | 0 | 107.4 | ||||
| 1701 | L | 22 | Very low | 25 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | 45 | 146.5 | 90.1 | -81.4 | 166.9 | 0 | 0 | 0 | 115.9 | |||||
| 1702 | P | 31.4 | Very low | 25 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | cis | -145.1 | 174.3 | 8.1 | 42.8 | -23.3 | 0 | 0 | 0 | 118.8 | ||||
| 1703 | N | 24.2 | Very low | 24.4 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | 59 | 157.1 | 140.2 | -71 | 33.1 | 0 | 0 | 0 | 122.6 | ||||
| 1704 | D | 26 | Very low | 24.4 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 57% | 0.567 | 72% | 0.723 | S | S | * | * | cis | -158.3 | 144.1 | -6.4 | -136 | -50.5 | 0 | 0 | 0 | 112.9 | K1706 | D1704-K1706 IonicContact OD1-NZ 3.35Å; D1704-K1706 PolarHBondContact OD1-NZ 3.2Å | ||
| 1705 | S | 25.7 | Very low | 24.6 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | trans | 62.3 | 158.6 | 145.5 | 74.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1706 | K | 26.2 | Very low | 24.7 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | cis | -170.3 | 162.9 | -16.2 | -94.9 | 158.2 | -158.2 | 111.6 | 0 | 103.3 | D1704 | D1704-K1706 IonicContact OD1-NZ 3.35Å; D1704-K1706 PolarHBondContact OD1-NZ 3.2Å | ||
| 1707 | N | 25.6 | Very low | 24.9 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | cis | -158.7 | -169.1 | 8.8 | -119.4 | 14.8 | 0 | 0 | 0 | 105.4 | ||||
| 1708 | Q | 25.5 | Very low | 25 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | cis | -165.6 | 173 | 6.4 | -138.3 | 161.6 | -101.9 | 0 | 0 | 110 | ||||
| 1709 | T | 22 | Very low | 25.3 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | trans | 62.9 | 158.7 | 154.6 | 44.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1710 | S | 21.7 | Very low | 25.7 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | cis | -171.5 | 147.5 | -29.4 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1711 | S | 22.6 | Very low | 26.4 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | trans | 59.2 | 138.1 | 159.5 | 55.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1712 | S | 23.3 | Very low | 27.3 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | cis | -165.2 | -170.8 | -2.7 | 57.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1713 | F | 23.1 | Very low | 27.8 | Very low | 191 Ų | 191 | 125.7 Ų | 125.7 | 84% | 0.838 | 68% | 0.678 | S | S | * | * | cis | -149.7 | -132.3 | 6.4 | -140.6 | -49.4 | 0 | 0 | 0 | 111.2 | ||||
| 1714 | K | 23.8 | Very low | 28.6 | Very low | 172 Ų | 172 | 121.1 Ų | 121.1 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | trans | -162.4 | 161 | -176.2 | -61.8 | -174.6 | 178.6 | -174.6 | 0 | 113 | ||||
| 1715 | V | 26.8 | Very low | 29.6 | Very low | 147 Ų | 147 | 120.3 Ų | 120.3 | 89% | 0.891 | 66% | 0.655 | S | S | * | * | trans | -151.4 | 156.7 | 134.8 | 171.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1716 | N | 25.8 | Very low | 30.7 | Very low | 125 Ų | 125 | 118.7 Ų | 118.7 | 67% | 0.668 | 64% | 0.639 | S | S | * | * | trans | -118.6 | 161.2 | -172.4 | -42.6 | -27 | 0 | 0 | 0 | 113.8 | ||||
| 1717 | S | 27.2 | Very low | 31.6 | Very low | 118 Ų | 118 | 114.7 Ų | 114.7 | 83% | 0.825 | 63% | 0.625 | S | S | * | * | trans | -155 | 137.9 | 146.7 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1718 | Y | 26.4 | Very low | 32.6 | Very low | 191 Ų | 191 | 111.9 Ų | 111.9 | 75% | 0.749 | 61% | 0.614 | S | S | * | * | trans | -94.6 | 168.8 | 167.9 | -75.8 | -85.8 | 0 | 0 | 0 | 109.4 | ||||
| 1719 | N | 31.1 | Very low | 33.7 | Very low | 94 Ų | 94 | 109.5 Ų | 109.5 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | cis | -143 | 129.9 | 17.2 | -142.6 | 14.3 | 0 | 0 | 0 | 110.6 | E1722 | N1719-E1722 PolarHBondContact ND2-OE1 2.78Å; N1719-E1722 PolarHBondContact ND2-OE2 2.91Å | ||
| 1720 | S | 34.2 | Very low | 35 | Very low | 87 Ų | 87 | 104.7 Ų | 104.7 | 61% | 0.608 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -136.3 | -1.6 | 170.8 | -173.6 | 0 | 0 | 0 | 0 | 112.9 | S1724 | S1720-S1724 PolarHBondContact O-OG 3.5Š|
| 1721 | D | 39.3 | Very low | 36.1 | Very low | 82 Ų | 82 | 103.4 Ų | 103.4 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -92.3 | -24.2 | -162.1 | -55.8 | -59.4 | 0 | 0 | 0 | 112.5 | S1724 T1725 | D1721-S1724 CarbonylContact O-C 3.41Å; D1721-S1724 PolarHBondContact O-N 3.35Å; D1721-T1725 VanDerWaalsContact O-CB 3.28Å; D1721-T1725 WeakPolarHBondContact O-CB 3.46Å; D1721-T1725 PolarHBondContact O-N 2.82Å; D1721-T1725 PolarHBondContact O-OG1 2.89Å |
| 1722 | E | 41.9 | Very low | 37.4 | Very low | 111 Ų | 111 | 102 Ų | 102 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.1 | -49.3 | 179.3 | -72.1 | 164.4 | 176.2 | 0 | 0 | 112 | N1719 S1724 T1725 I1726 | N1719-E1722 PolarHBondContact ND2-OE1 2.78Å; N1719-E1722 PolarHBondContact ND2-OE2 2.91Å; E1722-S1724 VanDerWaalsContact C-N 3.31Å; E1722-S1724 PolarHBondContact O-N 2.94Å; E1722-T1725 WeakPolarHBondContact O-CB 3.05Å; E1722-T1725 PolarHBondContact O-N 2.79Å; E1722-T1725 VanDerWaalsContact O-N 3.13Å; E1722-I1726 WeakPolarHBondContact O-CG1 3.47Å; E1722-I1726 PolarHBondContact O-N 2.82Å |
| 1723 | F | 40.6 | Very low | 38.5 | Very low | 122 Ų | 122 | 100.1 Ų | 100.1 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 175.1 | -176 | -107.6 | 0 | 0 | 0 | 111.9 | T1725 I1726 L1727 | F1723-T1725 VanDerWaalsContact C-N 3.3Å; F1723-T1725 PolarHBondContact O-N 3.43Å; F1723-I1726 PolarHBondContact O-N 3.08Å; F1723-L1727 HydrophobicContact CD1-CD1 3.9Å; F1723-L1727 HydrophobicContact CE1-CD1 3.44Å; F1723-L1727 VanDerWaalsContact CE1-CD1 3.44Å; F1723-L1727 HydrophobicContact CE1-CG 4.33Å; F1723-L1727 HydrophobicContact CZ-CD1 3.85Å; F1723-L1727 HydrophobicContact CZ-CG 4.38Å; F1723-L1727 PolarHBondContact O-N 2.85Å |
| 1724 | S | 41.8 | Very low | 39.5 | Very low | 36 Ų | 36 | 94.4 Ų | 94.4 | 25% | 0.252 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 174.3 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | S1720 D1721 E1722 C1728 | S1720-S1724 PolarHBondContact O-OG 3.5Å; D1721-S1724 CarbonylContact O-C 3.41Å; D1721-S1724 PolarHBondContact O-N 3.35Å; E1722-S1724 VanDerWaalsContact C-N 3.31Å; E1722-S1724 PolarHBondContact O-N 2.94Å; S1724-C1728 VanDerWaalsContact O-CB 3.31Å; S1724-C1728 WeakPolarHBondContact O-CB 3.47Å; S1724-C1728 PolarHBondContact O-N 3.09Å; S1724-C1728 PolarHBondContact O-SG 2.82Å |
| 1725 | T | 47.9 | Very low | 40.3 | Very low | 89 Ų | 89 | 88.5 Ų | 88.5 | 55% | 0.546 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.7 | -42.3 | 177.9 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | D1721 E1722 F1723 C1728 K1729 | D1721-T1725 VanDerWaalsContact O-CB 3.28Å; D1721-T1725 WeakPolarHBondContact O-CB 3.46Å; D1721-T1725 PolarHBondContact O-N 2.82Å; D1721-T1725 PolarHBondContact O-OG1 2.89Å; E1722-T1725 WeakPolarHBondContact O-CB 3.05Å; E1722-T1725 PolarHBondContact O-N 2.79Å; E1722-T1725 VanDerWaalsContact O-N 3.13Å; F1723-T1725 VanDerWaalsContact C-N 3.3Å; F1723-T1725 PolarHBondContact O-N 3.43Å; T1725-C1728 PolarHBondContact O-N 3.31Å; T1725-K1729 VanDerWaalsContact O-CB 3.32Å; T1725-K1729 WeakPolarHBondContact O-CB 3.36Å; T1725-K1729 PolarHBondContact O-N 3.5Å |
| 1726 | I | 47.1 | Very low | 41.1 | Very low | 56 Ų | 56 | 83.9 Ų | 83.9 | 29% | 0.287 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 174 | -67.3 | 167.9 | 0 | 0 | 0 | 110.3 | E1722 F1723 C1728 K1729 I1730 | E1722-I1726 WeakPolarHBondContact O-CG1 3.47Å; E1722-I1726 PolarHBondContact O-N 2.82Å; F1723-I1726 PolarHBondContact O-N 3.08Å; I1726-C1728 PolarHBondContact O-N 3.16Å; I1726-K1729 WeakPolarHBondContact O-CB 3.3Å; I1726-K1729 PolarHBondContact O-N 2.99Å; I1726-I1730 HydrophobicContact CG2-CD1 3.71Å; I1726-I1730 HydrophobicContact CG2-CG1 4.46Å; I1726-I1730 WeakPolarHBondContact O-CD1 3.14Å; I1726-I1730 VanDerWaalsContact O-CG1 3.27Å; I1726-I1730 WeakPolarHBondContact O-CG1 3.46Å; I1726-I1730 PolarHBondContact O-N 2.87Å |
| 1727 | L | 45.5 | Very low | 41.8 | Very low | 81 Ų | 81 | 80.7 Ų | 80.7 | 42% | 0.424 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 175 | -78.6 | 173.8 | 0 | 0 | 0 | 112.7 | F1723 H1731 | F1723-L1727 HydrophobicContact CD1-CD1 3.9Å; F1723-L1727 HydrophobicContact CE1-CD1 3.44Å; F1723-L1727 VanDerWaalsContact CE1-CD1 3.44Å; F1723-L1727 HydrophobicContact CE1-CG 4.33Å; F1723-L1727 HydrophobicContact CZ-CD1 3.85Å; F1723-L1727 HydrophobicContact CZ-CG 4.38Å; F1723-L1727 PolarHBondContact O-N 2.85Å; L1727-H1731 WeakPolarHBondContact O-CB 3.47Å; L1727-H1731 PolarHBondContact O-N 3.01Å |
| 1728 | C | 47.4 | Very low | 42.4 | Very low | 67 Ų | 67 | 80.9 Ų | 80.9 | 45% | 0.453 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 174.4 | -78.1 | 0 | 0 | 0 | 0 | 112.7 | S1724 T1725 I1726 H1731 V1732 | S1724-C1728 VanDerWaalsContact O-CB 3.31Å; S1724-C1728 WeakPolarHBondContact O-CB 3.47Å; S1724-C1728 PolarHBondContact O-N 3.09Å; S1724-C1728 PolarHBondContact O-SG 2.82Å; T1725-C1728 PolarHBondContact O-N 3.31Å; I1726-C1728 PolarHBondContact O-N 3.16Å; C1728-H1731 PolarHBondContact O-N 2.81Å; C1728-V1732 WeakPolarHBondContact O-CB 3.32Å; C1728-V1732 VanDerWaalsContact O-CG2 3.3Å; C1728-V1732 WeakPolarHBondContact O-CG2 3.46Å; C1728-V1732 PolarHBondContact O-N 2.89Å |
| 1729 | K | 48.2 | Very low | 42.7 | Very low | 96 Ų | 96 | 79.2 Ų | 79.2 | 42% | 0.417 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.3 | -51 | 176.3 | -177.8 | -173.8 | 168.6 | -155.3 | 0 | 110.9 | D147 T1725 I1726 H1731 V1732 D1733 | D147-K1729 VanDerWaalsContact CG-NZ 3.27Å; D147-K1729 IonicContact OD1-NZ 2.93Å; D147-K1729 PolarHBondContact OD1-NZ 3.33Å; D147-K1729 IonicContact OD2-NZ 2.78Å; D147-K1729 PolarHBondContact OD2-NZ 2.9Å; T1725-K1729 VanDerWaalsContact O-CB 3.32Å; T1725-K1729 WeakPolarHBondContact O-CB 3.36Å; T1725-K1729 PolarHBondContact O-N 3.5Å; I1726-K1729 WeakPolarHBondContact O-CB 3.3Å; I1726-K1729 PolarHBondContact O-N 2.99Å; K1729-H1731 VanDerWaalsContact C-N 3.27Å; K1729-H1731 PolarHBondContact O-N 3.45Å; K1729-V1732 PolarHBondContact O-N 3.31Å; K1729-D1733 PolarHBondContact O-N 2.99Å |
| 1730 | I | 48.6 | Very low | 42.5 | Very low | 22 Ų | 22 | 80.4 Ų | 80.4 | 11% | 0.113 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -56.9 | -42.3 | 173.8 | -63.9 | 158.4 | 0 | 0 | 0 | 110.9 | L144 L238 I1726 D1733 L1734 | L144-I1730 HydrophobicContact CD1-CD1 3.36Å; L144-I1730 HydrophobicContact CD1-CG1 4.04Å; L238-I1730 HydrophobicContact CD1-CD1 4.42Å; I1726-I1730 HydrophobicContact CG2-CD1 3.71Å; I1726-I1730 HydrophobicContact CG2-CG1 4.46Å; I1726-I1730 WeakPolarHBondContact O-CD1 3.14Å; I1726-I1730 VanDerWaalsContact O-CG1 3.27Å; I1726-I1730 WeakPolarHBondContact O-CG1 3.46Å; I1726-I1730 PolarHBondContact O-N 2.87Å; I1730-D1733 PolarHBondContact O-N 3Å; I1730-L1734 HydrophobicContact CG2-CD1 3.98Å; I1730-L1734 WeakPolarHBondContact O-CB 3.46Å; I1730-L1734 WeakPolarHBondContact O-CG 3.25Å; I1730-L1734 PolarHBondContact O-N 3.47Å |
| 1731 | H | 45.3 | Very low | 42.4 | Very low | 67 Ų | 67 | 84 Ų | 84 | 31% | 0.31 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 178.3 | 179.1 | 58.8 | 0 | 0 | 0 | 112.7 | L1727 C1728 K1729 L1734 C1735 L1773 F1777 | L1727-H1731 WeakPolarHBondContact O-CB 3.47Å; L1727-H1731 PolarHBondContact O-N 3.01Å; C1728-H1731 PolarHBondContact O-N 2.81Å; K1729-H1731 VanDerWaalsContact C-N 3.27Å; K1729-H1731 PolarHBondContact O-N 3.45Å; H1731-L1734 PolarHBondContact O-N 3.07Å; H1731-C1735 PolarHBondContact CE1-SG 3.43Å; H1731-C1735 PolarHBondContact NE2-SG 2.86Å; H1731-C1735 WeakPolarHBondContact O-CB 3.5Å; H1731-C1735 PolarHBondContact O-N 2.86Å; H1731-C1735 PolarHBondContact O-SG 2.74Å; H1731-L1773 VanDerWaalsContact CE1-CD2 3.45Å; H1731-L1773 WeakPolarHBondContact CE1-CD2 3.18Å; H1731-L1773 WeakPolarHBondContact NE2-CD2 3.47Å; H1731-F1777 AromaticContact CE1-CE2 3.94Å |
| 1732 | V | 50.4 | Low | 41.8 | Very low | 84 Ų | 84 | 86.7 Ų | 86.7 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 175.7 | 167.1 | 0 | 0 | 0 | 0 | 111.6 | C1728 K1729 L1734 C1735 S1736 | C1728-V1732 WeakPolarHBondContact O-CB 3.32Å; C1728-V1732 VanDerWaalsContact O-CG2 3.3Å; C1728-V1732 WeakPolarHBondContact O-CG2 3.46Å; C1728-V1732 PolarHBondContact O-N 2.89Å; K1729-V1732 PolarHBondContact O-N 3.31Å; V1732-L1734 VanDerWaalsContact C-N 3.33Å; V1732-L1734 PolarHBondContact O-N 3Å; V1732-C1735 PolarHBondContact O-N 2.84Å; V1732-S1736 WeakPolarHBondContact O-CB 3.36Å; V1732-S1736 PolarHBondContact O-N 3.4Å; V1732-S1736 PolarHBondContact O-OG 2.88Å |
| 1733 | D | 45.7 | Very low | 40.9 | Very low | 64 Ų | 64 | 86.7 Ų | 86.7 | 34% | 0.342 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 174.7 | -76.6 | -6.7 | 0 | 0 | 0 | 111.3 | K1729 I1730 S1736 | K1729-D1733 PolarHBondContact O-N 2.99Å; I1730-D1733 PolarHBondContact O-N 3Å; D1733-S1736 PolarHBondContact O-N 2.95Å |
| 1734 | L | 44.3 | Very low | 40.3 | Very low | 72 Ų | 72 | 87.2 Ų | 87.2 | 38% | 0.377 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.8 | -46.3 | 172.7 | -76 | 165.8 | 0 | 0 | 0 | 112.5 | I140 I1730 H1731 V1732 S1736 L1737 | I140-L1734 HydrophobicContact CD1-CD2 3.73Å; I140-L1734 HydrophobicContact CD1-CG 4.47Å; I1730-L1734 HydrophobicContact CG2-CD1 3.98Å; I1730-L1734 WeakPolarHBondContact O-CB 3.46Å; I1730-L1734 WeakPolarHBondContact O-CG 3.25Å; I1730-L1734 PolarHBondContact O-N 3.47Å; H1731-L1734 PolarHBondContact O-N 3.07Å; V1732-L1734 VanDerWaalsContact C-N 3.33Å; V1732-L1734 PolarHBondContact O-N 3Å; L1734-S1736 PolarHBondContact O-N 3.1Å; L1734-S1736 VanDerWaalsContact O-N 3.15Å; L1734-L1737 HydrophobicContact CD2-CD1 4.33Å; L1734-L1737 WeakPolarHBondContact O-CB 3.49Å; L1734-L1737 WeakPolarHBondContact O-CG 3.37Å; L1734-L1737 PolarHBondContact O-N 3.15Å |
| 1735 | C | 41.2 | Very low | 39.5 | Very low | 47 Ų | 47 | 93.9 Ų | 93.9 | 32% | 0.318 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -20 | 177.2 | -71.5 | 0 | 0 | 0 | 0 | 113.6 | H1731 V1732 L1737 F1777 | H1731-C1735 PolarHBondContact CE1-SG 3.43Å; H1731-C1735 PolarHBondContact NE2-SG 2.86Å; H1731-C1735 WeakPolarHBondContact O-CB 3.5Å; H1731-C1735 PolarHBondContact O-N 2.86Å; H1731-C1735 PolarHBondContact O-SG 2.74Å; V1732-C1735 PolarHBondContact O-N 2.84Å; C1735-L1737 VanDerWaalsContact C-N 3.26Å; C1735-L1737 PolarHBondContact O-N 2.67Å; C1735-F1777 VanDerWaalsContact SG-CZ 3.57Å |
| 1736 | S | 43 | Very low | 38.5 | Very low | 50 Ų | 50 | 97.3 Ų | 97.3 | 35% | 0.35 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -13.7 | -178.8 | -63.2 | 0 | 0 | 0 | 0 | 113.1 | V1732 D1733 L1734 F1741 | V1732-S1736 WeakPolarHBondContact O-CB 3.36Å; V1732-S1736 PolarHBondContact O-N 3.4Å; V1732-S1736 PolarHBondContact O-OG 2.88Å; D1733-S1736 PolarHBondContact O-N 2.95Å; L1734-S1736 PolarHBondContact O-N 3.1Å; L1734-S1736 VanDerWaalsContact O-N 3.15Å; S1736-F1741 WeakPolarHBondContact O-CE2 3.41Å |
| 1737 | L | 40.5 | Very low | 37.4 | Very low | 59 Ų | 59 | 101.5 Ų | 101.5 | 31% | 0.309 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -19.3 | -172.5 | -57 | 176 | 0 | 0 | 0 | 114.3 | C136 I140 L1734 C1735 K1739 | C136-L1737 VanDerWaalsContact SG-CD1 3.54Å; C136-L1737 WeakPolarHBondContact SG-CD2 3.29Å; I140-L1737 HydrophobicContact CD1-CD1 4.31Å; L1734-L1737 HydrophobicContact CD2-CD1 4.33Å; L1734-L1737 WeakPolarHBondContact O-CB 3.49Å; L1734-L1737 WeakPolarHBondContact O-CG 3.37Å; L1734-L1737 PolarHBondContact O-N 3.15Å; C1735-L1737 VanDerWaalsContact C-N 3.26Å; C1735-L1737 PolarHBondContact O-N 2.67Å; L1737-K1739 PolarHBondContact O-N 3.21Å |
| 1738 | D | 39.2 | Very low | 36.4 | Very low | 121 Ų | 121 | 105.4 Ų | 105.4 | 65% | 0.647 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -76.9 | 27 | -178.7 | -67.5 | -35 | 0 | 0 | 0 | 114.1 | ||
| 1739 | K | 32.6 | Very low | 35.3 | Very low | 156 Ų | 156 | 110.1 Ų | 110.1 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -131.8 | 134.3 | 171.8 | -69.4 | -178.8 | -177.9 | 174.3 | 0 | 110.4 | L1737 F1741 | L1737-K1739 PolarHBondContact O-N 3.21Å; K1739-F1741 PolarHBondContact O-N 2.75Å |
| 1740 | P | 28.7 | Very low | 34.2 | Very low | 120 Ų | 120 | 113.9 Ų | 113.9 | 78% | 0.779 | 61% | 0.611 | S | S | * | * | trans | -65.1 | 107.1 | 163 | 28.4 | -31.8 | 0 | 0 | 0 | 108.2 | I1742 | P1740-I1742 PolarHBondContact O-N 3.35Å; P1740-I1742 VanDerWaalsContact O-N 3.07Å | ||
| 1741 | F | 30.1 | Very low | 33 | Very low | 162 Ų | 162 | 118.8 Ų | 118.8 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | trans | -72.1 | 103.5 | -176.3 | -104.2 | -82.6 | 0 | 0 | 0 | 111.3 | S1736 K1739 | S1736-F1741 WeakPolarHBondContact O-CE2 3.41Å; K1739-F1741 PolarHBondContact O-N 2.75Å | ||
| 1742 | I | 27.3 | Very low | 32 | Very low | 139 Ų | 139 | 122.8 Ų | 122.8 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | trans | -67.9 | 129 | 160.7 | -62.3 | 171.8 | 0 | 0 | 0 | 107.6 | P1740 | P1740-I1742 PolarHBondContact O-N 3.35Å; P1740-I1742 VanDerWaalsContact O-N 3.07Å | ||
| 1743 | S | 23.6 | Very low | 30.8 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | -100 | 100.7 | -176.8 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1744 | T | 27.1 | Very low | 29.8 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | trans | -158.4 | 152.2 | 153.5 | 22.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1745 | F | 24.8 | Very low | 29 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 77% | 0.772 | 72% | 0.716 | S | S | * | * | trans | -79.2 | 160.3 | -178.3 | -72 | -102.9 | 0 | 0 | 0 | 112.3 | ||||
| 1746 | D | 27.1 | Very low | 28.2 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | -168.2 | 142.3 | 98.1 | -84.6 | -20.1 | 0 | 0 | 0 | 110.9 | |||||
| 1747 | D | 24.9 | Very low | 27.3 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -96.4 | 121.1 | 174.4 | -73.6 | -67 | 0 | 0 | 0 | 109.7 | ||||
| 1748 | D | 24.1 | Very low | 26.7 | Very low | 162 Ų | 162 | 148 Ų | 148 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | 173.4 | 105.6 | 146.6 | -99.2 | -24.9 | 0 | 0 | 0 | 110.7 | ||||
| 1749 | D | 25.3 | Very low | 26 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | 164.5 | 83.2 | 145 | -100.5 | -22.8 | 0 | 0 | 0 | 110.9 | ||||
| 1750 | L | 23.3 | Very low | 25.8 | Very low | 176 Ų | 176 | 148 Ų | 148 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -147.8 | 49.5 | 170.2 | -120.1 | 174.4 | 0 | 0 | 0 | 113.4 | ||||
| 1751 | V | 23.9 | Very low | 25.8 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -127.1 | 137.8 | 174.3 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1752 | N | 25.2 | Very low | 25.6 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | 65.2 | 104 | -173 | -52.1 | -51.6 | 0 | 0 | 0 | 113.3 | ||||
| 1753 | I | 25.8 | Very low | 25.7 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | -141.4 | 139.1 | 72 | -85.1 | 154.8 | 0 | 0 | 0 | 111.6 | |||||
| 1754 | H | 24.7 | Very low | 25.9 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | trans | -137.3 | 156 | 169 | -137 | 54.5 | 0 | 0 | 0 | 109.5 | ||||
| 1755 | N | 25.8 | Very low | 25.9 | Very low | 124 Ų | 124 | 151 Ų | 151 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | trans | 66.1 | 102 | -179.4 | -54 | -34.5 | 0 | 0 | 0 | 117 | ||||
| 1756 | N | 25.2 | Very low | 26 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | -158.4 | 146.5 | 84 | -105.1 | -34.7 | 0 | 0 | 0 | 112.6 | |||||
| 1757 | N | 24.6 | Very low | 26.2 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | -98.4 | 147.3 | -177.2 | -73.2 | -42.8 | 0 | 0 | 0 | 111.9 | ||||
| 1758 | N | 26.4 | Very low | 26.5 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | -175.3 | 138.3 | 112.3 | -91 | -28 | 0 | 0 | 0 | 112 | |||||
| 1759 | N | 26.4 | Very low | 26.9 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | trans | 30 | 136 | 144.3 | -53.6 | -2.2 | 0 | 0 | 0 | 119.1 | ||||
| 1760 | N | 27 | Very low | 27.1 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | cis | -161.3 | 177.9 | 32.4 | -133.6 | 5.3 | 0 | 0 | 0 | 113.2 | ||||
| 1761 | N | 29.1 | Very low | 27.6 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 79% | 0.786 | 67% | 0.674 | S | S | * | * | trans | 70.7 | 102.2 | 168.2 | -65.5 | 7 | 0 | 0 | 0 | 117.9 | ||||
| 1762 | N | 26.8 | Very low | 28 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | trans | -71.8 | 179.5 | 166.2 | -68.1 | -37.7 | 0 | 0 | 0 | 112.6 | ||||
| 1763 | N | 28.1 | Very low | 28.2 | Very low | 141 Ų | 141 | 124.8 Ų | 124.8 | 75% | 0.754 | 64% | 0.638 | S | S | * | * | trans | 98.1 | 49.3 | 166.9 | -54.4 | -5.4 | 0 | 0 | 0 | 117.7 | ||||
| 1764 | H | 28.9 | Very low | 28.5 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 59% | 0.588 | 63% | 0.63 | S | S | * | * | trans | -144.9 | -3.2 | 161.7 | -117 | -79.9 | 0 | 0 | 0 | 116.8 | N1768 | H1764-N1768 WeakPolarHBondContact O-CB 3.33Å; H1764-N1768 PolarHBondContact O-N 2.84Å; H1764-N1768 VanDerWaalsContact O-N 3.1Å; H1764-N1768 PolarHBondContact O-OD1 2.92Å | ||
| 1765 | W | 26.1 | Very low | 28.8 | Very low | 170 Ų | 170 | 122.9 Ų | 122.9 | 64% | 0.644 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.7 | -40 | -167.4 | 63.7 | -84.3 | 0 | 0 | 0 | 114.7 | N1768 L1769 | W1765-N1768 PolarHBondContact O-N 3.25Å; W1765-L1769 PolarHBondContact O-N 3.5Å |
| 1766 | Y | 26.7 | Very low | 28.9 | Very low | 145 Ų | 145 | 127 Ų | 127 | 57% | 0.569 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.4 | -44.4 | 173.8 | -101.5 | -84.8 | 0 | 0 | 0 | 112.4 | N1768 L1769 C1770 | Y1766-N1768 VanDerWaalsContact C-N 3.29Å; Y1766-N1768 PolarHBondContact O-N 2.84Å; Y1766-L1769 PolarHBondContact O-N 3.12Å; Y1766-C1770 PolarHBondContact O-N 3.18Å; Y1766-C1770 VanDerWaalsContact O-N 3.14Å |
| 1767 | T | 31.5 | Very low | 29.1 | Very low | 84 Ų | 84 | 123.1 Ų | 123.1 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.4 | -40 | 175.3 | -14.9 | 0 | 0 | 0 | 0 | 111.1 | C1770 M1771 | T1767-C1770 PolarHBondContact O-N 3.03Å; T1767-M1771 WeakPolarHBondContact O-CB 3.34Å; T1767-M1771 VanDerWaalsContact O-CG 3.23Å; T1767-M1771 WeakPolarHBondContact O-CG 3.39Å; T1767-M1771 PolarHBondContact O-N 3.01Å |
| 1768 | N | 31.8 | Very low | 29.2 | Very low | 81 Ų | 81 | 125 Ų | 125 | 43% | 0.433 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71 | -29.8 | 178.1 | -74.4 | -0.1 | 0 | 0 | 0 | 113.3 | H1764 W1765 Y1766 L1772 | H1764-N1768 WeakPolarHBondContact O-CB 3.33Å; H1764-N1768 PolarHBondContact O-N 2.84Å; H1764-N1768 VanDerWaalsContact O-N 3.1Å; H1764-N1768 PolarHBondContact O-OD1 2.92Å; W1765-N1768 PolarHBondContact O-N 3.25Å; Y1766-N1768 VanDerWaalsContact C-N 3.29Å; Y1766-N1768 PolarHBondContact O-N 2.84Å; N1768-L1772 VanDerWaalsContact O-CB 3.28Å; N1768-L1772 WeakPolarHBondContact O-CB 3.48Å; N1768-L1772 WeakPolarHBondContact O-CG 3.48Å; N1768-L1772 PolarHBondContact O-N 2.63Å |
| 1769 | L | 32 | Very low | 29.1 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 44% | 0.44 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.1 | -46.1 | 171.4 | -168.5 | 68 | 0 | 0 | 0 | 110.8 | W1765 Y1766 M1771 L1772 L1773 | W1765-L1769 PolarHBondContact O-N 3.5Å; Y1766-L1769 PolarHBondContact O-N 3.12Å; L1769-M1771 VanDerWaalsContact C-N 3.33Å; L1769-M1771 PolarHBondContact O-N 2.87Å; L1769-L1772 PolarHBondContact O-N 2.66Å; L1769-L1773 HydrophobicContact CG-CD1 4.4Å; L1769-L1773 WeakPolarHBondContact O-CB 3.41Å; L1769-L1773 VanDerWaalsContact O-CG 3.28Å; L1769-L1773 WeakPolarHBondContact O-CG 3.32Å; L1769-L1773 PolarHBondContact O-N 3.34Å |
| 1770 | C | 30.2 | Very low | 29 | Very low | 75 Ų | 75 | 127 Ų | 127 | 51% | 0.507 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.3 | -30.7 | 175.3 | -69.9 | 0 | 0 | 0 | 0 | 113.5 | Y1766 T1767 K1774 | Y1766-C1770 PolarHBondContact O-N 3.18Å; Y1766-C1770 VanDerWaalsContact O-N 3.14Å; T1767-C1770 PolarHBondContact O-N 3.03Å; C1770-K1774 PolarHBondContact O-N 3.37Å |
| 1771 | M | 33.1 | Very low | 28.9 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 42% | 0.419 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -72.2 | -44.7 | 171.7 | -75.6 | -73.8 | -70.5 | 0 | 0 | 111.7 | T1767 L1769 L1773 K1774 E1775 | T1767-M1771 WeakPolarHBondContact O-CB 3.34Å; T1767-M1771 VanDerWaalsContact O-CG 3.23Å; T1767-M1771 WeakPolarHBondContact O-CG 3.39Å; T1767-M1771 PolarHBondContact O-N 3.01Å; L1769-M1771 VanDerWaalsContact C-N 3.33Å; L1769-M1771 PolarHBondContact O-N 2.87Å; M1771-L1773 VanDerWaalsContact C-N 3.27Å; M1771-L1773 PolarHBondContact O-N 3.3Å; M1771-K1774 PolarHBondContact O-N 3.39Å; M1771-K1774 VanDerWaalsContact O-N 3.14Å; M1771-E1775 WeakPolarHBondContact O-CB 3.4Å; M1771-E1775 WeakPolarHBondContact O-CG 3.3Å; M1771-E1775 PolarHBondContact O-N 3.43Å |
| 1772 | L | 31.6 | Very low | 28.7 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 49% | 0.492 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61 | -36.9 | 173.5 | -83 | 162.3 | 0 | 0 | 0 | 111.5 | N1768 L1769 R1776 | N1768-L1772 VanDerWaalsContact O-CB 3.28Å; N1768-L1772 WeakPolarHBondContact O-CB 3.48Å; N1768-L1772 WeakPolarHBondContact O-CG 3.48Å; N1768-L1772 PolarHBondContact O-N 2.63Å; L1769-L1772 PolarHBondContact O-N 2.66Å; L1772-R1776 WeakPolarHBondContact O-CA 3.23Å; L1772-R1776 WeakPolarHBondContact O-CB 3.13Å; L1772-R1776 PolarHBondContact O-N 3.25Å |
| 1773 | L | 31.4 | Very low | 28.6 | Very low | 60 Ų | 60 | 122.1 Ų | 122.1 | 31% | 0.314 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.7 | -48.3 | 171.3 | -74.9 | 165.7 | 0 | 0 | 0 | 111.7 | H1731 L1769 M1771 F1777 | H1731-L1773 VanDerWaalsContact CE1-CD2 3.45Å; H1731-L1773 WeakPolarHBondContact CE1-CD2 3.18Å; H1731-L1773 WeakPolarHBondContact NE2-CD2 3.47Å; L1769-L1773 HydrophobicContact CG-CD1 4.4Å; L1769-L1773 WeakPolarHBondContact O-CB 3.41Å; L1769-L1773 VanDerWaalsContact O-CG 3.28Å; L1769-L1773 WeakPolarHBondContact O-CG 3.32Å; L1769-L1773 PolarHBondContact O-N 3.34Å; M1771-L1773 VanDerWaalsContact C-N 3.27Å; M1771-L1773 PolarHBondContact O-N 3.3Å; L1773-F1777 HydrophobicContact CD2-CD2 3.9Å; L1773-F1777 HydrophobicContact CD2-CE2 3.8Å; L1773-F1777 WeakPolarHBondContact O-CB 3.18Å; L1773-F1777 PolarHBondContact O-N 3.06Å |
| 1774 | K | 31.8 | Very low | 28.4 | Very low | 160 Ų | 160 | 118.4 Ų | 118.4 | 70% | 0.696 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.5 | -47.5 | 175.4 | -85.5 | -179.1 | 170.8 | 178.6 | 0 | 113.3 | C1770 M1771 | C1770-K1774 PolarHBondContact O-N 3.37Å; M1771-K1774 PolarHBondContact O-N 3.39Å; M1771-K1774 VanDerWaalsContact O-N 3.14Å |
| 1775 | E | 30.4 | Very low | 28.3 | Very low | 138 Ų | 138 | 114.9 Ų | 114.9 | 65% | 0.645 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -79.5 | -33.3 | -173 | -68.8 | -168.5 | 144.1 | 0 | 0 | 113.3 | M1771 | M1771-E1775 WeakPolarHBondContact O-CB 3.4Å; M1771-E1775 WeakPolarHBondContact O-CG 3.3Å; M1771-E1775 PolarHBondContact O-N 3.43Å |
| 1776 | R | 28.1 | Very low | 28.3 | Very low | 210 Ų | 210 | 111.6 Ų | 111.6 | 79% | 0.792 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -89.2 | -32.1 | -173.6 | -158.2 | 174.5 | -168 | 167.7 | 2.5 | 113.6 | L1772 | L1772-R1776 WeakPolarHBondContact O-CA 3.23Å; L1772-R1776 WeakPolarHBondContact O-CB 3.13Å; L1772-R1776 PolarHBondContact O-N 3.25Å |
| 1777 | F | 29.3 | Very low | 28.2 | Very low | 82 Ų | 82 | 106.9 Ų | 106.9 | 36% | 0.36 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -87.3 | -20 | 176 | -85.5 | -81.7 | 0 | 0 | 0 | 114.4 | H1731 C1735 L1773 L1779 | H1731-F1777 AromaticContact CE1-CE2 3.94Å; C1735-F1777 VanDerWaalsContact SG-CZ 3.57Å; L1773-F1777 HydrophobicContact CD2-CD2 3.9Å; L1773-F1777 HydrophobicContact CD2-CE2 3.8Å; L1773-F1777 WeakPolarHBondContact O-CB 3.18Å; L1773-F1777 PolarHBondContact O-N 3.06Å; F1777-L1779 HydrophobicContact CB-CD1 3.77Å; F1777-L1779 HydrophobicContact CB-CG 3.92Å; F1777-L1779 HydrophobicContact CD1-CD1 4.48Å; F1777-L1779 HydrophobicContact CG-CD1 4.15Å; F1777-L1779 PolarHBondContact O-N 2.75Å |
| 1778 | K | 27 | Very low | 27.9 | Very low | 176 Ų | 176 | 107.4 Ų | 107.4 | 77% | 0.765 | 51% | 0.511 | S | S | * | . | trans | 47.5 | 41.6 | -171.7 | -73.1 | -173.7 | 173.1 | 179.1 | 0 | 113.4 | W1780 | K1778-W1780 PolarHBondContact O-N 2.6Š| ||
| 1779 | L | 24.7 | Very low | 27.5 | Very low | 127 Ų | 127 | 105.9 Ų | 105.9 | 67% | 0.665 | 51% | 0.514 | S | S | * | . | trans | -67.9 | 72.9 | 179.7 | -86.3 | 159 | 0 | 0 | 0 | 112.9 | F1777 | F1777-L1779 HydrophobicContact CB-CD1 3.77Å; F1777-L1779 HydrophobicContact CB-CG 3.92Å; F1777-L1779 HydrophobicContact CD1-CD1 4.48Å; F1777-L1779 HydrophobicContact CG-CD1 4.15Å; F1777-L1779 PolarHBondContact O-N 2.75Å | ||
| 1780 | W | 24.3 | Very low | 27.1 | Very low | 195 Ų | 195 | 112.8 Ų | 112.8 | 74% | 0.739 | 53% | 0.534 | S | S | * | . | S | Bend | -60.7 | 136.7 | 128.4 | -76.3 | 45.2 | 0 | 0 | 0 | 106.1 | C1199 K1778 D1782 | C1199-W1780 HydrophobicContact CB-CZ3 4.23Å; C1199-W1780 WeakPolarHBondContact SG-CZ3 3.44Å; K1778-W1780 PolarHBondContact O-N 2.6Å; W1780-D1782 PolarHBondContact O-N 3.1Å; W1780-D1782 VanDerWaalsContact O-N 3.16Å | |
| 1781 | Y | 24.9 | Very low | 26.7 | Very low | 180 Ų | 180 | 111.8 Ų | 111.8 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | trans | -57.5 | 125.3 | 178.8 | -83.9 | -115.7 | 0 | 0 | 0 | 109.5 | I1783 | Y1781-I1783 VanDerWaalsContact CB-CG1 3.45Å; Y1781-I1783 HydrophobicContact CG-CG1 4.41Å; Y1781-I1783 PolarHBondContact O-N 2.95Å | ||
| 1782 | D | 23.2 | Very low | 26.4 | Very low | 84 Ų | 84 | 113.2 Ų | 113.2 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | trans | -81.7 | 77 | 166.5 | -143.9 | 7.9 | 0 | 0 | 0 | 108.5 | R1201 W1780 D1784 C1785 | R1201-D1782 IonicContact NH1-OD1 3.85Å; R1201-D1782 PolarHBondContact NH1-OD1 2.91Å; W1780-D1782 PolarHBondContact O-N 3.1Å; W1780-D1782 VanDerWaalsContact O-N 3.16Å; D1782-D1784 PolarHBondContact O-N 2.85Å; D1782-C1785 PolarHBondContact O-N 2.96Å | ||
| 1783 | I | 24.8 | Very low | 26.2 | Very low | 66 Ų | 66 | 112 Ų | 112 | 34% | 0.338 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 40.9 | -176.7 | -34.1 | 169.1 | 0 | 0 | 0 | 111.5 | Q1223 Y1781 L1786 M1787 | Q1223-I1783 HydrophobicContact CG-CG2 3.99Å; Y1781-I1783 VanDerWaalsContact CB-CG1 3.45Å; Y1781-I1783 HydrophobicContact CG-CG1 4.41Å; Y1781-I1783 PolarHBondContact O-N 2.95Å; I1783-L1786 HydrophobicContact CG2-CB 3.81Å; I1783-M1787 WeakPolarHBondContact O-CG 3.29Å; I1783-M1787 VanDerWaalsContact O-SD 3.33Å |
| 1784 | D | 25.1 | Very low | 25.8 | Very low | 64 Ų | 64 | 110.6 Ų | 110.6 | 34% | 0.342 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -39.5 | 153.3 | -86.1 | 11.1 | 0 | 0 | 0 | 108.8 | S250 D1782 L1786 M1787 | S250-D1784 VanDerWaalsContact CB-CB 3.48Å; S250-D1784 WeakPolarHBondContact CB-OD2 3.41Å; S250-D1784 PolarHBondContact OG-OD2 2.89Å; D1782-D1784 PolarHBondContact O-N 2.85Å; D1784-L1786 PolarHBondContact O-N 2.78Å; D1784-M1787 PolarHBondContact O-N 3.25Å |
| 1785 | C | 25.6 | Very low | 25.7 | Very low | 52 Ų | 52 | 108 Ų | 108 | 35% | 0.351 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 18.5 | -176.7 | -72.1 | 0 | 0 | 0 | 0 | 115.4 | H248 D1782 | H248-C1785 HydrophobicContact CB-CB 3.97Å; H248-C1785 WeakPolarHBondContact CB-O 3.38Å; H248-C1785 VanDerWaalsContact CG-C 3.45Å; H248-C1785 PolarHBondContact ND1-O 3.31Å; H248-C1785 PolarHBondContact O-SG 3.3Å; H248-C1785 VanDerWaalsContact O-SG 3.36Å; D1782-C1785 PolarHBondContact O-N 2.96Å |
| 1786 | L | 26.4 | Very low | 25.6 | Very low | 101 Ų | 101 | 107.1 Ų | 107.1 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | 7.4 | 173.5 | -108.2 | 157 | 0 | 0 | 0 | 112.6 | H248 K1168 I1783 D1784 | H248-L1786 VanDerWaalsContact CE1-C 3.48Å; H248-L1786 VanDerWaalsContact CE1-CA 3.48Å; H248-L1786 WeakPolarHBondContact CE1-CA 3.49Å; H248-L1786 PolarHBondContact ND1-N 3.09Å; K1168-L1786 PolarHBondContact NZ-O 2.97Å; I1783-L1786 HydrophobicContact CG2-CB 3.81Å; D1784-L1786 PolarHBondContact O-N 2.78Å |
| 1787 | M | 25.5 | Very low | 25.8 | Very low | 46 Ų | 46 | 100.1 Ų | 100.1 | 23% | 0.227 | 49% | 0.491 | C | S | . | . | trans | -86.3 | -27.8 | -174 | -60.1 | -160.2 | 64.7 | 0 | 0 | 116.2 | K1168 N1221 Q1223 I1783 D1784 G1789 | K1168-M1787 WeakPolarHBondContact CE-O 3.41Å; K1168-M1787 PolarHBondContact NZ-O 2.97Å; N1221-M1787 HydrophobicContact CB-CE 4.29Å; N1221-M1787 WeakPolarHBondContact O-CE 3.35Å; Q1223-M1787 HydrophobicContact CG-CE 3.91Å; Q1223-M1787 HydrophobicContact CG-CG 3.79Å; Q1223-M1787 HydrophobicContact CG-SD 4.13Å; I1783-M1787 WeakPolarHBondContact O-CG 3.29Å; I1783-M1787 VanDerWaalsContact O-SD 3.33Å; D1784-M1787 PolarHBondContact O-N 3.25Å; M1787-G1789 PolarHBondContact O-N 3.21Å | ||
| 1788 | N | 25.5 | Very low | 25.8 | Very low | 96 Ų | 96 | 99 Ų | 99 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -63.1 | 126.4 | 175.9 | -66.2 | -27.4 | 0 | 0 | 0 | 110.4 | Q247 H248 K1168 R1790 | Q247-N1788 PolarHBondContact O-ND2 3.44Å; Q247-N1788 VanDerWaalsContact O-ND2 3.09Å; H248-N1788 PolarHBondContact CE1-N 3.09Å; K1168-N1788 PolarHBondContact NZ-O 3.38Å; N1788-R1790 PolarHBondContact O-N 3.23Å |
| 1789 | G | 23.5 | Very low | 26 | Very low | 49 Ų | 49 | 95 Ų | 95 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | trans | -94.3 | 67.3 | -163.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | M1787 | M1787-G1789 PolarHBondContact O-N 3.21Š| ||
| 1790 | R | 22.1 | Very low | 26.3 | Very low | 228 Ų | 228 | 95.1 Ų | 95.1 | 86% | 0.86 | 48% | 0.476 | S | S | * | . | trans | -138 | 59.2 | 166.6 | -70.2 | -166.1 | 179 | 175.2 | 0.9 | 113.5 | N1788 | N1788-R1790 PolarHBondContact O-N 3.23Š| ||
| 1791 | L | 23 | Very low | 26.5 | Very low | 55 Ų | 55 | 89.7 Ų | 89.7 | 29% | 0.288 | 46% | 0.461 | S | S | . | . | trans | 36.2 | 130.4 | 131 | -60.2 | 129.8 | 0 | 0 | 0 | 118.9 | N1584 M1585 C1586 | N1584-L1791 HydrophobicContact CB-CB 3.5Å; N1584-L1791 VanDerWaalsContact CB-CB 3.5Å; N1584-L1791 WeakPolarHBondContact CB-O 3.31Å; N1584-L1791 WeakPolarHBondContact O-CD2 3.4Å; M1585-L1791 HydrophobicContact CG-CD2 4.48Å; C1586-L1791 HydrophobicContact CB-CD2 4.35Å | ||
| 1792 | I | 27 | Very low | 26.6 | Very low | 114 Ų | 114 | 84.6 Ų | 84.6 | 59% | 0.585 | 45% | 0.446 | S | S | * | . | trans | -140.7 | 156.9 | 162.1 | -63.7 | -176 | 0 | 0 | 0 | 107.8 | M1585 C1586 | M1585-I1792 CarbonylContact C-O 3.51Å; M1585-I1792 PolarHBondContact N-O 3.44Å; C1586-I1792 PolarHBondContact N-O 3.04Å | ||
| 1793 | N | 26.2 | Very low | 26.8 | Very low | 69 Ų | 69 | 87.7 Ų | 87.7 | 37% | 0.369 | 46% | 0.456 | S | S | . | . | trans | -71.9 | 163.5 | -159 | -94.6 | -15.4 | 0 | 0 | 0 | 118.8 | S1583 N1584 M1585 D1795 | S1583-N1793 PolarHBondContact O-ND2 3.4Å; S1583-N1793 PolarHBondContact O-OD1 3.07Å; S1583-N1793 VanDerWaalsContact O-OD1 3.09Å; N1584-N1793 VanDerWaalsContact N-CG 3.31Å; N1584-N1793 PolarHBondContact N-ND2 3.17Å; N1584-N1793 PolarHBondContact N-OD1 3.38Å; M1585-N1793 PolarHBondContact N-OD1 3.38Å; M1585-N1793 VanDerWaalsContact N-OD1 3.13Å; M1585-N1793 CarbonylContact O-C 3.54Å; M1585-N1793 WeakPolarHBondContact O-CA 3.14Å; N1793-D1795 PolarHBondContact O-N 3.44Å | ||
| 1794 | S | 24 | Very low | 27 | Very low | 30 Ų | 30 | 92.7 Ų | 92.7 | 21% | 0.21 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -71.5 | -32.4 | -161.7 | 43.4 | 0 | 0 | 0 | 0 | 113.5 | M1585 E1587 | M1585-S1794 WeakPolarHBondContact O-CA 3.35Å; M1585-S1794 PolarHBondContact O-N 2.98Å; E1587-S1794 WeakPolarHBondContact O-CA 3.41Å; E1587-S1794 WeakPolarHBondContact O-CB 3.49Å |
| 1795 | D | 28.3 | Very low | 27.1 | Very low | 105 Ų | 105 | 96.6 Ų | 96.6 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -87.4 | -18.4 | -162.2 | -45 | -33.4 | 0 | 0 | 0 | 111.3 | N1793 N1799 | N1793-D1795 PolarHBondContact O-N 3.44Å; D1795-N1799 PolarHBondContact O-N 3.32Å; D1795-N1799 VanDerWaalsContact O-N 3.16Å; D1795-N1799 PolarHBondContact O-ND2 3.36Å |
| 1796 | E | 30 | Very low | 27 | Very low | 120 Ų | 120 | 101 Ų | 101 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -76.8 | -33.5 | 173.1 | -65.1 | -169.5 | 120.3 | 0 | 0 | 112.2 | L1798 N1799 L1800 | E1796-L1798 VanDerWaalsContact C-N 3.3Å; E1796-L1798 PolarHBondContact O-N 2.92Å; E1796-N1799 PolarHBondContact O-N 3.41Å; E1796-L1800 PolarHBondContact O-N 3.19Å; E1796-L1800 VanDerWaalsContact O-N 3.08Å |
| 1797 | T | 31.2 | Very low | 26.9 | Very low | 64 Ų | 64 | 105.6 Ų | 105.6 | 39% | 0.393 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 174.7 | -54 | 0 | 0 | 0 | 0 | 110.8 | L1801 | T1797-L1801 PolarHBondContact O-N 2.94Å |
| 1798 | L | 30.4 | Very low | 26.9 | Very low | 57 Ų | 57 | 107.8 Ų | 107.8 | 30% | 0.298 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.9 | -37.8 | 175.5 | -142.4 | 75.5 | 0 | 0 | 0 | 111.8 | E1796 L1800 L1801 N1802 | E1796-L1798 VanDerWaalsContact C-N 3.3Å; E1796-L1798 PolarHBondContact O-N 2.92Å; L1798-L1800 PolarHBondContact O-N 3.27Å; L1798-L1801 PolarHBondContact O-N 2.93Å; L1798-N1802 WeakPolarHBondContact O-CB 3.38Å; L1798-N1802 VanDerWaalsContact O-CG 3.29Å; L1798-N1802 PolarHBondContact O-N 2.82Å |
| 1799 | N | 31 | Very low | 26.9 | Very low | 93 Ų | 93 | 106.8 Ų | 106.8 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 176 | -90.5 | -77.1 | 0 | 0 | 0 | 113.7 | D1795 E1796 K1803 | D1795-N1799 PolarHBondContact O-N 3.32Å; D1795-N1799 VanDerWaalsContact O-N 3.16Å; D1795-N1799 PolarHBondContact O-ND2 3.36Å; E1796-N1799 PolarHBondContact O-N 3.41Å; N1799-K1803 PolarHBondContact O-N 2.7Å |
| 1800 | L | 30.3 | Very low | 26.9 | Very low | 129 Ų | 129 | 113 Ų | 113 | 68% | 0.675 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.9 | -35.1 | 174.4 | -98.5 | 163.2 | 0 | 0 | 0 | 112.8 | E1796 L1798 F1804 | E1796-L1800 PolarHBondContact O-N 3.19Å; E1796-L1800 VanDerWaalsContact O-N 3.08Å; L1798-L1800 PolarHBondContact O-N 3.27Å; L1800-F1804 PolarHBondContact O-N 3.27Å |
| 1801 | L | 29.3 | Very low | 27.1 | Very low | 81 Ų | 81 | 106.2 Ų | 106.2 | 42% | 0.424 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.8 | -43.3 | 174.2 | -91.2 | 158.8 | 0 | 0 | 0 | 112.4 | T1797 L1798 K1803 F1804 F1805 | T1797-L1801 PolarHBondContact O-N 2.94Å; L1798-L1801 PolarHBondContact O-N 2.93Å; L1801-K1803 PolarHBondContact O-N 2.8Å; L1801-F1804 WeakPolarHBondContact O-CA 3.5Å; L1801-F1804 WeakPolarHBondContact O-CB 3.49Å; L1801-F1804 PolarHBondContact O-N 2.95Å; L1801-F1805 PolarHBondContact O-N 2.74Å |
| 1802 | N | 27.2 | Very low | 27 | Very low | 74 Ų | 74 | 108.5 Ų | 108.5 | 40% | 0.396 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.6 | -41.3 | 179.5 | -71.7 | -3 | 0 | 0 | 0 | 111.6 | L1798 F1804 F1805 E1806 | L1798-N1802 WeakPolarHBondContact O-CB 3.38Å; L1798-N1802 VanDerWaalsContact O-CG 3.29Å; L1798-N1802 PolarHBondContact O-N 2.82Å; N1802-F1804 PolarHBondContact O-N 2.94Å; N1802-F1804 VanDerWaalsContact O-N 3.17Å; N1802-F1805 PolarHBondContact O-N 3.46Å; N1802-E1806 PolarHBondContact O-N 2.9Å |
| 1803 | K | 27.4 | Very low | 27 | Very low | 148 Ų | 148 | 110.6 Ų | 110.6 | 64% | 0.643 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.9 | -13.6 | 172.7 | -77 | 178.7 | 176.4 | 171.1 | 0 | 114.7 | N1799 L1801 | N1799-K1803 PolarHBondContact O-N 2.7Å; L1801-K1803 PolarHBondContact O-N 2.8Å |
| 1804 | F | 27.7 | Very low | 26.9 | Very low | 171 Ų | 171 | 113.1 Ų | 113.1 | 75% | 0.75 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -88.8 | -15.8 | 170.9 | -124.3 | -83.1 | 0 | 0 | 0 | 113.4 | L1800 L1801 N1802 | L1800-F1804 PolarHBondContact O-N 3.27Å; L1801-F1804 WeakPolarHBondContact O-CA 3.5Å; L1801-F1804 WeakPolarHBondContact O-CB 3.49Å; L1801-F1804 PolarHBondContact O-N 2.95Å; N1802-F1804 PolarHBondContact O-N 2.94Å; N1802-F1804 VanDerWaalsContact O-N 3.17Å |
| 1805 | F | 26.6 | Very low | 26.8 | Very low | 146 Ų | 146 | 118.4 Ų | 118.4 | 64% | 0.64 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -97.9 | -18.7 | 177.7 | -88.7 | -80.3 | 0 | 0 | 0 | 114 | L1801 N1802 F1807 | L1801-F1805 PolarHBondContact O-N 2.74Å; N1802-F1805 PolarHBondContact O-N 3.46Å; F1805-F1807 PolarHBondContact O-N 2.9Å |
| 1806 | E | 24.5 | Very low | 26.5 | Very low | 144 Ų | 144 | 119 Ų | 119 | 67% | 0.673 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 1 | 177.7 | -70.7 | -173.6 | 129.8 | 0 | 0 | 115.1 | N1802 | N1802-E1806 PolarHBondContact O-N 2.9Š|
| 1807 | F | 25 | Very low | 26.3 | Very low | 198 Ų | 198 | 118.8 Ų | 118.8 | 87% | 0.868 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 12.8 | 176.1 | -102.7 | -79.4 | 0 | 0 | 0 | 115.2 | F1805 | F1805-F1807 PolarHBondContact O-N 2.9Š|
| 1808 | S | 25.4 | Very low | 25.9 | Very low | 93 Ų | 93 | 123.2 Ų | 123.2 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -148.7 | 52.8 | 175.5 | 73.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1809 | S | 24.4 | Very low | 25.6 | Very low | 74 Ų | 74 | 126.5 Ų | 126.5 | 52% | 0.517 | 65% | 0.651 | S | S | . | * | trans | -152 | 78.3 | 157.5 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | P1811 | S1809-P1811 WeakPolarHBondContact O-CD 3.4Š| ||
| 1810 | M | 24.3 | Very low | 25.4 | Very low | 181 Ų | 181 | 129.6 Ų | 129.6 | 89% | 0.892 | 66% | 0.662 | S | S | * | * | trans | -86.2 | 111.7 | 139.1 | -91 | -112.6 | 67.9 | 0 | 0 | 106.7 | ||||
| 1811 | P | 25.1 | Very low | 24.9 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | trans | -96.4 | -163.4 | 178.4 | 40.4 | -34.8 | 0 | 0 | 0 | 110.9 | S1809 | S1809-P1811 WeakPolarHBondContact O-CD 3.4Š| ||
| 1812 | T | 22.1 | Very low | 24.6 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 63% | 0.626 | 67% | 0.67 | S | S | * | * | trans | 64.1 | 152.8 | -175.2 | 75.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1813 | I | 26.9 | Very low | 24.3 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 82% | 0.815 | 69% | 0.688 | S | S | * | * | cis | -130.7 | 117.9 | 24 | -77.5 | 173.9 | 0 | 0 | 0 | 105.5 | ||||
| 1814 | Q | 22.9 | Very low | 24 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 57% | 0.565 | 70% | 0.696 | S | S | * | * | cis | 58.8 | 132.2 | 30.1 | -100.6 | 176.3 | -62.3 | 0 | 0 | 111.5 | ||||
| 1815 | E | 23.3 | Very low | 23.7 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 66% | 0.659 | 69% | 0.688 | S | S | * | * | cis | -169.3 | 175.9 | 21.4 | -154.7 | 162.6 | -138.9 | 0 | 0 | 111.1 | ||||
| 1816 | T | 21.8 | Very low | 23.5 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | trans | 62.6 | 132.9 | 164.4 | 60.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1817 | T | 25.2 | Very low | 23.4 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 71% | 0.712 | 70% | 0.695 | S | S | * | * | -137.2 | 139.4 | 62.8 | 17.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1818 | Q | 23 | Very low | 23.2 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | 46.5 | 147 | 116.7 | -74.2 | 178.8 | 13 | 0 | 0 | 119.8 | |||||
| 1819 | L | 23.5 | Very low | 22.9 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | cis | -157.5 | 178.1 | 22.5 | -120.7 | 152 | 0 | 0 | 0 | 112 | ||||
| 1820 | H | 26.4 | Very low | 22.8 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | 70 | 83.5 | 155.5 | -79.3 | -57 | 0 | 0 | 0 | 122.4 | ||||
| 1821 | S | 21.2 | Very low | 22.7 | Very low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 70% | 0.7 | S | S | * | * | -35.8 | 148.9 | 111.2 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1822 | S | 21.7 | Very low | 22.7 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | cis | 177.9 | 175.2 | 10.8 | 43.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1823 | N | 21.6 | Very low | 22.7 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | trans | 79.5 | 147.5 | 143.1 | -79 | -13.2 | 0 | 0 | 0 | 120.7 | ||||
| 1824 | V | 21.3 | Very low | 22.6 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | trans | 71.4 | 133 | 149.4 | 160.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1825 | S | 22.4 | Very low | 22.6 | Very low | 82 Ų | 82 | 128.8 Ų | 128.8 | 57% | 0.573 | 71% | 0.711 | S | S | * | * | cis | -171.3 | -179.9 | -16.2 | 62.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1826 | I | 21.7 | Very low | 22.7 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | trans | 44.5 | 117.9 | 140.1 | -65.5 | 160.6 | 0 | 0 | 0 | 116.1 | ||||
| 1827 | N | 21.9 | Very low | 22.7 | Very low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | -158.7 | 168.3 | 60.9 | -142.3 | -21.7 | 0 | 0 | 0 | 115.3 | |||||
| 1828 | Y | 20.3 | Very low | 22.6 | Very low | 210 Ų | 210 | 130.4 Ų | 130.4 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | trans | -79.9 | 165.4 | 166.7 | -92.2 | -108.5 | 0 | 0 | 0 | 112.1 | ||||
| 1829 | S | 20.5 | Very low | 22.5 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 70% | 0.703 | S | S | * | * | trans | 73.8 | 153 | 157.1 | 80.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1830 | S | 22.1 | Very low | 22.3 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | cis | -173.3 | 148.6 | -28 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1831 | V | 22.5 | Very low | 22.2 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | trans | 38.4 | 115.4 | 132.4 | -177.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1832 | P | 23.2 | Very low | 22.2 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | -133.2 | 155.1 | 71.8 | 34 | -18.3 | 0 | 0 | 0 | 114.2 | |||||
| 1833 | T | 22.8 | Very low | 22.1 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 73% | 0.73 | 69% | 0.693 | S | S | * | * | S | Bend | cis | -136 | 153.2 | 39.9 | 44 | 0 | 0 | 0 | 0 | 116 | ||
| 1834 | K | 24.7 | Very low | 22.1 | Very low | 155 Ų | 155 | 130.1 Ų | 130.1 | 67% | 0.674 | 69% | 0.69 | S | S | * | * | trans | 34.6 | 137.1 | 134.8 | -61.9 | -178.9 | 158.2 | -76.9 | 0 | 120.1 | ||||
| 1835 | E | 24 | Very low | 22.2 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 62% | 0.621 | 69% | 0.686 | S | S | * | * | cis | -168.4 | 142 | -5.8 | -126.4 | 152.8 | -148.6 | 0 | 0 | 109.2 | ||||
| 1836 | N | 24.6 | Very low | 22.1 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | trans | 67.2 | 139.7 | 165.5 | -61.1 | -46.5 | 0 | 0 | 0 | 117.1 | ||||
| 1837 | N | 22.7 | Very low | 22.1 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | cis | 67.2 | 141.9 | 48.4 | -60.9 | -43.9 | 0 | 0 | 0 | 112.6 | ||||
| 1838 | L | 22.7 | Very low | 22.1 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | cis | -146.7 | 162.8 | 15.6 | -161.5 | 69.6 | 0 | 0 | 0 | 112.3 | ||||
| 1839 | F | 19.6 | Very low | 22.2 | Very low | 113 Ų | 113 | 124 Ų | 124 | 50% | 0.496 | 70% | 0.697 | S | S | . | * | trans | -53.1 | 174.4 | 148.9 | -130.1 | -103.8 | 0 | 0 | 0 | 111.5 | N2079 | F1839-N2079 HydrophobicContact CE1-CB 3.97Š| ||
| 1840 | Y | 20.8 | Very low | 22.3 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 44% | 0.435 | 70% | 0.697 | S | S | . | * | trans | 57.3 | 95.7 | 175.1 | -75.9 | -86.8 | 0 | 0 | 0 | 116.5 | K2077 N2079 | Y1840-K2077 HydrophobicContact CD1-CD 3.86Å; Y1840-K2077 HydrophobicContact CE1-CB 3.95Å; Y1840-K2077 HydrophobicContact CE1-CD 3.69Å; Y1840-K2077 HydrophobicContact CE1-CG 4.48Å; Y1840-N2079 WeakPolarHBondContact CE2-OD1 3.27Å; Y1840-N2079 PolarHBondContact OH-OD1 2.9Å | ||
| 1841 | H | 23.2 | Very low | 22.4 | Very low | 163 Ų | 163 | 124.5 Ų | 124.5 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | -150.5 | 141.5 | 119.6 | -117.4 | -92.1 | 0 | 0 | 0 | 112.8 | |||||
| 1842 | L | 22.4 | Very low | 22.5 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 53% | 0.534 | 70% | 0.697 | S | S | . | * | trans | -33.9 | 142.1 | 170.9 | -67.9 | 150.3 | 0 | 0 | 0 | 114.2 | ||||
| 1843 | L | 19.9 | Very low | 22.6 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 72% | 0.723 | 69% | 0.689 | S | S | * | * | cis | 64.6 | 117.3 | 48.3 | -136.4 | -176.1 | 0 | 0 | 0 | 113 | ||||
| 1844 | N | 21.1 | Very low | 22.8 | Very low | 133 Ų | 133 | 124 Ų | 124 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | trans | 75 | 155.9 | 172.2 | -76.1 | -15.3 | 0 | 0 | 0 | 120.4 | ||||
| 1845 | A | 22.4 | Very low | 22.9 | Very low | 88 Ų | 88 | 122 Ų | 122 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | trans | 72.8 | 91.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1846 | S | 20.9 | Very low | 23.2 | Very low | 114 Ų | 114 | 121.2 Ų | 121.2 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | 69.4 | 139.5 | 117.5 | -54.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1847 | L | 22.7 | Very low | 23.2 | Very low | 162 Ų | 162 | 122.1 Ų | 122.1 | 85% | 0.848 | 68% | 0.684 | S | S | * | * | trans | -34.1 | 143.5 | 152 | -81.4 | 74.2 | 0 | 0 | 0 | 112.6 | ||||
| 1848 | P | 21.6 | Very low | 23.6 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 80% | 0.799 | 68% | 0.675 | S | S | * | * | -123.7 | 163 | 80 | 37.8 | -33 | 0 | 0 | 0 | 116.6 | |||||
| 1849 | S | 21.3 | Very low | 23.6 | Very low | 90 Ų | 90 | 120.2 Ų | 120.2 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | trans | -51.3 | 159.3 | 165.4 | 51.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1850 | S | 22.6 | Very low | 23.9 | Very low | 114 Ų | 114 | 120.3 Ų | 120.3 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | trans | 62.9 | 145 | 150 | 64.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1851 | S | 25.3 | Very low | 24.1 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | cis | -141.5 | 158.8 | 26.3 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1852 | N | 24.3 | Very low | 24.1 | Very low | 130 Ų | 130 | 119.7 Ų | 119.7 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | 35.7 | 130.7 | 79 | -78.5 | 16.9 | 0 | 0 | 0 | 111.5 | |||||
| 1853 | N | 25.4 | Very low | 24.3 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | cis | -165 | -176 | 18.8 | -111.1 | -1.9 | 0 | 0 | 0 | 105.6 | ||||
| 1854 | N | 26 | Very low | 24.4 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 57% | 0.572 | 72% | 0.723 | S | S | * | * | cis | -167.7 | 143.5 | 22.1 | -132.3 | 4.8 | 0 | 0 | 0 | 105.7 | ||||
| 1855 | N | 27.3 | Very low | 24.9 | Very low | 114 Ų | 114 | 119.8 Ų | 119.8 | 61% | 0.61 | 72% | 0.724 | S | S | * | * | 148.5 | 142.9 | 99.2 | -93 | -13.5 | 0 | 0 | 0 | 106.2 | |||||
| 1856 | N | 30.1 | Very low | 25 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | S | Bend | cis | -136 | 161.5 | -5.9 | -52.8 | -72.5 | 0 | 0 | 0 | 107.1 | I1858 | N1856-I1858 HydrophobicContact CB-CD1 4.25Å; N1856-I1858 WeakPolarHBondContact OD1-CD1 3.26Å |
| 1857 | N | 25.8 | Very low | 25.1 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | cis | -119.6 | 139.1 | 5.2 | -53.1 | -67.9 | 0 | 0 | 0 | 108 | ||||
| 1858 | I | 29.8 | Very low | 25 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 54% | 0.538 | 72% | 0.723 | S | S | . | * | 64.2 | 125.1 | 50.4 | -54 | 170.4 | 0 | 0 | 0 | 111.4 | N1856 | N1856-I1858 HydrophobicContact CB-CD1 4.25Å; N1856-I1858 WeakPolarHBondContact OD1-CD1 3.26Å | |||
| 1859 | N | 22.7 | Very low | 25.2 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | cis | 167.1 | 127.4 | -28.6 | -111.1 | -15.8 | 0 | 0 | 0 | 105.4 | ||||
| 1860 | S | 27.3 | Very low | 25.3 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | 175.6 | 114.8 | 136.1 | 35.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1861 | N | 24.9 | Very low | 25.4 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | trans | 35.7 | 98.3 | 137.6 | -59.8 | 2.3 | 0 | 0 | 0 | 121.8 | ||||
| 1862 | S | 22.6 | Very low | 25.3 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | 51.6 | 97.8 | 121 | 66.3 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1863 | V | 25.8 | Very low | 25.4 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | trans | -141.6 | 156.2 | 143.8 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1864 | T | 22.6 | Very low | 25.3 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | -70.6 | -177.8 | 172 | 49.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1865 | P | 32.5 | Very low | 25.6 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | cis | -130.9 | -144.7 | -41.5 | 35.2 | -14.5 | 0 | 0 | 0 | 110.4 | ||||
| 1866 | M | 24 | Very low | 25.6 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 84% | 0.837 | 75% | 0.747 | S | S | * | * | trans | 70.1 | 170.8 | 169.5 | -74.3 | -165.5 | 170.6 | 0 | 0 | 117.3 | ||||
| 1867 | K | 21.7 | Very low | 25.6 | Very low | 168 Ų | 168 | 135.3 Ų | 135.3 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | cis | 178.5 | 117.1 | -43.9 | -174.6 | 178.7 | -170.6 | -179.5 | 0 | 107.8 | ||||
| 1868 | K | 22.5 | Very low | 25.8 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 79% | 0.787 | 75% | 0.746 | S | S | * | * | trans | 47.5 | 123.6 | 165.2 | -69.1 | -169.4 | 172.5 | -168.5 | 0 | 120 | ||||
| 1869 | N | 24.2 | Very low | 25.7 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | 162.5 | 127.9 | 125.1 | -79 | -20.6 | 0 | 0 | 0 | 107.4 | |||||
| 1870 | L | 24.2 | Very low | 25.9 | Very low | 163 Ų | 163 | 132 Ų | 132 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | cis | 67.9 | 91.3 | 18.6 | -142.4 | -172 | 0 | 0 | 0 | 113.9 | ||||
| 1871 | K | 23.6 | Very low | 25.9 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | -178.6 | 152.8 | 167.6 | -100.6 | -168 | 179.3 | -172.2 | 0 | 107 | ||||
| 1872 | I | 23.7 | Very low | 26 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 62% | 0.621 | 75% | 0.749 | S | S | * | * | cis | -161.2 | 132.6 | -16.7 | -133.2 | 172.8 | 0 | 0 | 0 | 105.5 | ||||
| 1873 | N | 27.4 | Very low | 26.2 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | -167.3 | 145.9 | 90.4 | -84.2 | -64 | 0 | 0 | 0 | 107.7 | |||||
| 1874 | A | 23.5 | Very low | 26.2 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | 90.7 | 145.9 | 33.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1875 | P | 32.2 | Very low | 26.2 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | -132.8 | -168.9 | -125.5 | 44.6 | -31 | 0 | 0 | 0 | 114.1 | |||||
| 1876 | T | 27.5 | Very low | 25.9 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -173.9 | 149.9 | 141 | 26.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1877 | T | 29.6 | Very low | 25.8 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | 54.4 | 140.3 | 146.3 | 56.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1878 | T | 29.9 | Very low | 25.9 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | cis | -158.3 | 145 | 0.5 | 7.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1879 | D | 28.4 | Very low | 25.9 | Very low | 152 Ų | 152 | 123.7 Ų | 123.7 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | 42.5 | 139.8 | 144.5 | -47 | -25.4 | 0 | 0 | 0 | 121.7 | ||||
| 1880 | G | 26.7 | Very low | 26 | Very low | 58 Ų | 58 | 123.9 Ų | 123.9 | 60% | 0.598 | 75% | 0.751 | S | S | * | * | cis | -131.2 | 141.1 | 13.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1881 | T | 27.5 | Very low | 25.9 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 44.2 | 101.5 | 133.7 | 57.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1882 | C | 25.2 | Very low | 25.9 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 75% | 0.75 | 75% | 0.745 | S | S | * | * | 67.7 | 140.6 | 62.2 | -54.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 1883 | V | 28.1 | Very low | 25.9 | Very low | 128 Ų | 128 | 121.2 Ų | 121.2 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | -151.5 | 126.3 | 55.8 | 156.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1884 | F | 24.8 | Very low | 25.9 | Very low | 185 Ų | 185 | 121.5 Ų | 121.5 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | 39.6 | 131.8 | 143.5 | -68.4 | -96.9 | 0 | 0 | 0 | 124.8 | ||||
| 1885 | A | 23.8 | Very low | 25.9 | Very low | 89 Ų | 89 | 121.7 Ų | 121.7 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | -106.6 | 165.9 | 120.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1886 | S | 25.3 | Very low | 25.5 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | cis | -152 | 144.4 | 10.8 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1887 | S | 23.2 | Very low | 25.3 | Very low | 124 Ų | 124 | 125 Ų | 125 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -165.1 | 173.9 | 159.9 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1888 | C | 23 | Very low | 25.1 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | -40.9 | 148.3 | -169.3 | -52.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1889 | S | 23.2 | Very low | 24.7 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | 63.3 | 131.6 | 137.5 | 60 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1890 | N | 24.8 | Very low | 24.8 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 79.6 | 111.8 | 151.5 | -66.6 | -3.9 | 0 | 0 | 0 | 120.8 | ||||
| 1891 | L | 23.4 | Very low | 24.5 | Very low | 153 Ų | 153 | 126.3 Ų | 126.3 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | 75.7 | 112.2 | 138.5 | -74.5 | 160.4 | 0 | 0 | 0 | 120.5 | ||||
| 1892 | S | 23.9 | Very low | 24.5 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 57.9 | 136.7 | 143.3 | 58.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 1893 | L | 23.8 | Very low | 24.3 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | cis | -172.7 | 170.2 | -16.3 | -121.5 | 166.6 | 0 | 0 | 0 | 105.9 | ||||
| 1894 | N | 25.4 | Very low | 24.1 | Very low | 152 Ų | 152 | 127.3 Ų | 127.3 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | 66 | 108.3 | 170.2 | -56 | -7.1 | 0 | 0 | 0 | 116.9 | ||||
| 1895 | G | 23.5 | Very low | 24 | Very low | 80 Ų | 80 | 123.8 Ų | 123.8 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -156.4 | 90.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1896 | E | 24.1 | Very low | 23.9 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -85.1 | -173 | 171 | -65.6 | -166.7 | 133.9 | 0 | 0 | 111 | ||||
| 1897 | C | 24.9 | Very low | 23.8 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 70.2 | 39.4 | -176.4 | -60.7 | 0 | 0 | 0 | 0 | 116 | ||
| 1898 | T | 24.2 | Very low | 23.7 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | 46.3 | 99.6 | 126.9 | 59.5 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1899 | L | 21.6 | Very low | 23.7 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | S | Bend | -63.7 | 160.5 | 129.2 | -114.6 | 170.7 | 0 | 0 | 0 | 109.4 | S1901 | L1899-S1901 PolarHBondContact O-N 2.7Š| |
| 1900 | S | 29.7 | Very low | 23.7 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -27.2 | 127.7 | 172.1 | 51.5 | 0 | 0 | 0 | 0 | 115 | ||
| 1901 | S | 21.1 | Very low | 23.6 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | S | Bend | cis | -62.6 | 118.6 | 18.9 | 53.4 | 0 | 0 | 0 | 0 | 116 | L1899 | L1899-S1901 PolarHBondContact O-N 2.7Š|
| 1902 | P | 27.1 | Very low | 23.6 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 164.1 | -173.9 | 37.8 | -33.7 | 0 | 0 | 0 | 113.1 | ||
| 1903 | L | 21.9 | Very low | 23.6 | Very low | 161 Ų | 161 | 125.8 Ų | 125.8 | 84% | 0.843 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 143.5 | 166.4 | -89.1 | 78.6 | 0 | 0 | 0 | 111.9 | S1905 | L1903-S1905 PolarHBondContact O-N 2.93Š|
| 1904 | S | 22.6 | Very low | 23.7 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | 2.6 | 107.2 | 146.1 | 169.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1905 | S | 23.3 | Very low | 23.6 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | -153.1 | 156.9 | 123 | 59.8 | 0 | 0 | 0 | 0 | 112 | L1903 | L1903-S1905 PolarHBondContact O-N 2.93Š| |||
| 1906 | R | 23.1 | Very low | 23.6 | Very low | 208 Ų | 208 | 126.6 Ų | 126.6 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | -39.3 | 138.9 | 168.8 | -63.7 | 157.9 | 170.6 | 162.9 | -7.7 | 110.4 | ||||
| 1907 | L | 21.3 | Very low | 23.7 | Very low | 112 Ų | 112 | 124 Ų | 124 | 59% | 0.586 | 71% | 0.711 | S | S | * | * | cis | -162.5 | 173.4 | 45.5 | -127.2 | 142.8 | 0 | 0 | 0 | 110.7 | ||||
| 1908 | E | 20.9 | Very low | 23.7 | Very low | 166 Ų | 166 | 124.8 Ų | 124.8 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | 67.3 | 164 | 172.2 | -60 | -178.7 | 165.9 | 0 | 0 | 116.3 | ||||
| 1909 | L | 22.9 | Very low | 23.8 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 54% | 0.539 | 72% | 0.715 | S | S | . | * | -159.4 | 164.7 | -60.4 | -125.8 | 158.7 | 0 | 0 | 0 | 107.8 | |||||
| 1910 | C | 23.8 | Very low | 24.1 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 47% | 0.473 | 70% | 0.704 | S | S | . | * | trans | 68.1 | 142.3 | -174.4 | -63.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1911 | K | 23.1 | Very low | 24.1 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 52% | 0.517 | 71% | 0.709 | S | S | . | * | cis | 71.7 | 128.3 | 41.1 | -65.9 | -179.9 | 176.1 | 178.2 | 0 | 113 | S1237 N2208 N2209 | S1237-K1911 PolarHBondContact OG-NZ 3.27Å; K1911-N2208 CarbonylContact O-C 3.31Å; K1911-N2209 VanDerWaalsContact C-OXT 3.32Å; K1911-N2209 CarbonylContact O-C 3.56Å; K1911-N2209 PolarHBondContact O-N 2.73Å | ||
| 1912 | S | 23.8 | Very low | 24.3 | Very low | 62 Ų | 62 | 129 Ų | 129 | 43% | 0.434 | 70% | 0.704 | S | S | . | * | cis | -177.4 | 144.4 | -15 | 41 | 0 | 0 | 0 | 0 | 110.8 | N2209 | S1912-N2209 PolarHBondContact N-OXT 3.27Š| ||
| 1913 | D | 22.9 | Very low | 24.5 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | trans | 74.4 | 116.2 | 159.8 | -51.5 | -26.7 | 0 | 0 | 0 | 119.4 | ||||
| 1914 | S | 26.1 | Very low | 25 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 70% | 0.699 | S | S | * | * | trans | -151.1 | 148 | 139.3 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1915 | L | 22.8 | Very low | 25.3 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 87% | 0.874 | 70% | 0.701 | S | S | * | * | trans | -87.7 | 142.4 | -175.2 | -68.5 | 122.6 | 0 | 0 | 0 | 112.2 | ||||
| 1916 | C | 24.6 | Very low | 25.5 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 78% | 0.784 | 70% | 0.699 | S | S | * | * | trans | -103.5 | 118.2 | 151.5 | -86.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1917 | N | 26.1 | Very low | 25.4 | Very low | 138 Ų | 138 | 123.2 Ų | 123.2 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | 75.1 | 113.1 | 73.8 | -76.1 | -39 | 0 | 0 | 0 | 113.1 | |||||
| 1918 | L | 25.8 | Very low | 25.7 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | trans | 179.3 | 147.3 | 149 | -94.8 | 157.5 | 0 | 0 | 0 | 106.2 | K1920 | L1918-K1920 HydrophobicContact CD2-CB 3.83Å; L1918-K1920 HydrophobicContact CD2-CD 3.56Å; L1918-K1920 HydrophobicContact CD2-CG 3.53Å | ||
| 1919 | L | 25.8 | Very low | 25.8 | Very low | 162 Ų | 162 | 122.2 Ų | 122.2 | 85% | 0.848 | 71% | 0.713 | S | S | * | * | cis | -110.7 | 151.8 | 16.7 | -54.6 | 97.3 | 0 | 0 | 0 | 111.3 | ||||
| 1920 | K | 26.3 | Very low | 26 | Very low | 139 Ų | 139 | 122 Ų | 122 | 60% | 0.604 | 72% | 0.72 | S | S | * | * | cis | 63.7 | 153.1 | 49.8 | -92.4 | -166.1 | -172.3 | -126.3 | 0 | 114.4 | L1918 E1922 | L1918-K1920 HydrophobicContact CD2-CB 3.83Å; L1918-K1920 HydrophobicContact CD2-CD 3.56Å; L1918-K1920 HydrophobicContact CD2-CG 3.53Å; K1920-E1922 VanDerWaalsContact CE-OE1 3.29Å; K1920-E1922 WeakPolarHBondContact CE-OE1 3.24Å; K1920-E1922 IonicContact NZ-OE1 3.89Å; K1920-E1922 PolarHBondContact NZ-OE1 2.7Å; K1920-E1922 IonicContact NZ-OE2 2.76Å | ||
| 1921 | P | 30.6 | Very low | 26 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | cis | -111.1 | 167.9 | -3.9 | 14.1 | 11.1 | 0 | 0 | 0 | 113 | ||||
| 1922 | E | 25.1 | Very low | 26 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | 70.6 | 146.1 | 50.5 | -106.8 | 177.4 | -94.8 | 0 | 0 | 115 | K1920 | K1920-E1922 VanDerWaalsContact CE-OE1 3.29Å; K1920-E1922 WeakPolarHBondContact CE-OE1 3.24Å; K1920-E1922 IonicContact NZ-OE1 3.89Å; K1920-E1922 PolarHBondContact NZ-OE1 2.7Å; K1920-E1922 IonicContact NZ-OE2 2.76Å | |||
| 1923 | P | 32.1 | Very low | 26 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | cis | -133.1 | -140.9 | -4.3 | 48.8 | -29.1 | 0 | 0 | 0 | 112.7 | ||||
| 1924 | P | 32.3 | Very low | 26 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | trans | -135.3 | -135.3 | -133.9 | 41.2 | -14 | 0 | 0 | 0 | 116.5 | ||||
| 1925 | D | 28.2 | Very low | 25.9 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | 70.9 | 147 | -175.5 | -58.2 | -16.6 | 0 | 0 | 0 | 116.5 | ||||
| 1926 | G | 27.5 | Very low | 25.9 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | cis | -171 | 150.5 | -6.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1927 | C | 22.3 | Very low | 25.7 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | trans | -66.4 | 155.8 | -166.2 | -57 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1928 | V | 26.2 | Very low | 25.5 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | 178.7 | 114.4 | 115.5 | 150.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1929 | V | 23.5 | Very low | 25.4 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | 59.4 | 146.2 | 135.6 | -173.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 1930 | S | 26.6 | Very low | 25.2 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | 75.1 | 121 | 165.1 | 58.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1931 | Q | 23.5 | Very low | 25 | Very low | 190 Ų | 190 | 131.5 Ų | 131.5 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | 70.2 | 118.5 | 53.9 | -67.6 | -168.8 | 0.8 | 0 | 0 | 112.9 | |||||
| 1932 | S | 24 | Very low | 24.8 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | cis | -178.3 | 159.1 | 22.5 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1933 | N | 23.6 | Very low | 24.9 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | 67 | 121 | 144 | -71.7 | -32.3 | 0 | 0 | 0 | 124.6 | ||||
| 1934 | R | 23.1 | Very low | 24.5 | Very low | 245 Ų | 245 | 136.3 Ų | 136.3 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | 70.9 | 123.8 | 142.8 | -66.7 | 178.8 | 170.5 | -175.2 | -3.4 | 119.8 | ||||
| 1935 | G | 23.1 | Very low | 24.4 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -171.5 | 14 | 172.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1936 | V | 22.7 | Very low | 24.1 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | trans | 49.5 | 110.6 | 158 | -176.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1937 | A | 22 | Very low | 24.1 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | 71.5 | 132.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1938 | K | 21.7 | Very low | 24.3 | Very low | 201 Ų | 201 | 144.9 Ų | 144.9 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | 50.7 | 104 | 143.6 | -64 | -179.4 | 178.3 | -175.9 | 0 | 119.6 | ||||
| 1939 | S | 22.4 | Very low | 24.5 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | -169.3 | 146.8 | 108.4 | 29.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1940 | E | 22 | Very low | 24.9 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 1.2 | 155 | 151.4 | -42.5 | -177.2 | 164.1 | 0 | 0 | 123.4 | ||||
| 1941 | N | 23.5 | Very low | 25.5 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | trans | 71.8 | 144.4 | 158.1 | -60.4 | -58.8 | 0 | 0 | 0 | 116.2 | ||||
| 1942 | K | 24.6 | Very low | 26.3 | Very low | 164 Ų | 164 | 138 Ų | 138 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | cis | -160.6 | -179.6 | -7.5 | -126.4 | 169 | -169.4 | 166 | 0 | 112.2 | ||||
| 1943 | D | 28.4 | Very low | 27.4 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | trans | 65.5 | 84.4 | 156.1 | -54.9 | -22.9 | 0 | 0 | 0 | 119.2 | ||||
| 1944 | N | 24.3 | Very low | 28.5 | Very low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 139.8 | 151.4 | -118 | -15.9 | 0 | 0 | 0 | 109 | ||
| 1945 | P | 28.8 | Very low | 29.7 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 150.7 | 174 | 29.9 | -34 | 0 | 0 | 0 | 112.1 | ||
| 1946 | K | 23.2 | Very low | 30.8 | Very low | 202 Ų | 202 | 128.3 Ų | 128.3 | 88% | 0.878 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 155.9 | 179.2 | -63.3 | 177.7 | -178.9 | 174.9 | 0 | 112 | ||
| 1947 | P | 27.4 | Very low | 32.3 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | -124.4 | 167.5 | 116.9 | 35.7 | -31.8 | 0 | 0 | 0 | 114.1 | |||||
| 1948 | F | 26.3 | Very low | 33.7 | Very low | 220 Ų | 220 | 125.8 Ų | 125.8 | 97% | 0.965 | 65% | 0.65 | S | S | * | * | trans | -46.1 | 130.1 | -171.4 | -66.5 | -99.4 | 0 | 0 | 0 | 116.5 | ||||
| 1949 | G | 29.7 | Very low | 35.2 | Very low | 74 Ų | 74 | 117.6 Ų | 117.6 | 76% | 0.763 | 62% | 0.616 | S | S | * | * | trans | -111.9 | 140.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1950 | I | 32.5 | Very low | 36.9 | Very low | 132 Ų | 132 | 112.7 Ų | 112.7 | 68% | 0.677 | 58% | 0.58 | S | S | * | * | trans | -70.6 | 142.1 | 176.8 | -63.1 | 172.8 | 0 | 0 | 0 | 109.5 | L1952 E1954 | I1950-L1952 PolarHBondContact O-N 3.44Å; I1950-E1954 HydrophobicContact CG2-CB 4.48Å | ||
| 1951 | N | 38.3 | Very low | 38.4 | Very low | 101 Ų | 101 | 108 Ų | 108 | 54% | 0.54 | 56% | 0.56 | S | S | . | * | trans | -71.1 | 130.1 | -175.3 | -170.4 | -23.5 | 0 | 0 | 0 | 111.3 | N1953 E1954 F1955 | N1951-N1953 PolarHBondContact O-N 3.48Å; N1951-N1953 VanDerWaalsContact O-N 3.11Å; N1951-N1953 PolarHBondContact OD1-N 2.91Å; N1951-N1953 VanDerWaalsContact OD1-N 3.17Å; N1951-E1954 HydrophobicContact CB-CB 4.26Å; N1951-E1954 WeakPolarHBondContact O-CA 3.3Å; N1951-E1954 VanDerWaalsContact O-CB 3.31Å; N1951-E1954 WeakPolarHBondContact O-CB 3.31Å; N1951-E1954 PolarHBondContact O-N 2.8Å; N1951-F1955 PolarHBondContact O-N 3.31Å; N1951-F1955 VanDerWaalsContact O-N 3.08Å | ||
| 1952 | L | 41.6 | Very low | 39.9 | Very low | 93 Ų | 93 | 105.3 Ų | 105.3 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -53.9 | -33.2 | 179.5 | -175.1 | 67.1 | 0 | 0 | 0 | 113 | I1950 K1956 | I1950-L1952 PolarHBondContact O-N 3.44Å; L1952-K1956 WeakPolarHBondContact O-CG 3.31Å; L1952-K1956 PolarHBondContact O-N 2.91Å |
| 1953 | N | 45.7 | Very low | 41.5 | Very low | 98 Ų | 98 | 97.5 Ų | 97.5 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71 | -34.8 | 176 | -72.3 | -16.5 | 0 | 0 | 0 | 112.4 | N1951 K1956 L1957 | N1951-N1953 PolarHBondContact O-N 3.48Å; N1951-N1953 VanDerWaalsContact O-N 3.11Å; N1951-N1953 PolarHBondContact OD1-N 2.91Å; N1951-N1953 VanDerWaalsContact OD1-N 3.17Å; N1953-K1956 PolarHBondContact O-N 3.37Å; N1953-L1957 WeakPolarHBondContact O-CB 3.38Å; N1953-L1957 VanDerWaalsContact O-CG 3.28Å; N1953-L1957 WeakPolarHBondContact O-CG 3.47Å; N1953-L1957 PolarHBondContact O-N 2.98Å |
| 1954 | E | 47.9 | Very low | 42.6 | Very low | 75 Ų | 75 | 93 Ų | 93 | 35% | 0.35 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 175.2 | -162.7 | -162 | 143.5 | 0 | 0 | 110.9 | I1950 N1951 L1957 R1958 | I1950-E1954 HydrophobicContact CG2-CB 4.48Å; N1951-E1954 HydrophobicContact CB-CB 4.26Å; N1951-E1954 WeakPolarHBondContact O-CA 3.3Å; N1951-E1954 VanDerWaalsContact O-CB 3.31Å; N1951-E1954 WeakPolarHBondContact O-CB 3.31Å; N1951-E1954 PolarHBondContact O-N 2.8Å; E1954-L1957 PolarHBondContact O-N 2.66Å; E1954-R1958 WeakPolarHBondContact O-CG 3.4Å; E1954-R1958 PolarHBondContact O-N 2.87Å; E1954-R1958 IonicContact OE1-CZ 3.54Å; E1954-R1958 IonicContact OE1-NE 2.74Å; E1954-R1958 PolarHBondContact OE1-NE 2.78Å; E1954-R1958 IonicContact OE1-NH2 3.47Å; E1954-R1958 PolarHBondContact OE1-NH2 2.81Å |
| 1955 | F | 47.4 | Very low | 43.9 | Very low | 74 Ų | 74 | 92.9 Ų | 92.9 | 33% | 0.325 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 173.1 | -176.6 | -100 | 0 | 0 | 0 | 111.7 | N1951 L1957 R1958 L1959 I2180 | N1951-F1955 PolarHBondContact O-N 3.31Å; N1951-F1955 VanDerWaalsContact O-N 3.08Å; F1955-L1957 PolarHBondContact O-N 3.19Å; F1955-R1958 PolarHBondContact O-N 2.85Å; F1955-L1959 HydrophobicContact CE1-CD1 3.69Å; F1955-L1959 HydrophobicContact CZ-CD1 3.88Å; F1955-L1959 WeakPolarHBondContact O-CB 3.01Å; F1955-L1959 PolarHBondContact O-N 2.86Å; F1955-I2180 HydrophobicContact CE1-CD1 3.93Å; F1955-I2180 HydrophobicContact CE1-CG1 3.76Å; F1955-I2180 HydrophobicContact CE1-CG2 4.31Å; F1955-I2180 HydrophobicContact CE2-CD1 4.43Å; F1955-I2180 HydrophobicContact CE2-CG1 4.27Å; F1955-I2180 HydrophobicContact CZ-CD1 3.54Å; F1955-I2180 HydrophobicContact CZ-CG1 3.61Å |
| 1956 | K | 47.4 | Very low | 45 | Very low | 101 Ų | 101 | 89.7 Ų | 89.7 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 174.8 | -75.4 | 179.3 | 177 | -178 | 0 | 112.5 | L1952 N1953 L1959 I1960 | L1952-K1956 WeakPolarHBondContact O-CG 3.31Å; L1952-K1956 PolarHBondContact O-N 2.91Å; N1953-K1956 PolarHBondContact O-N 3.37Å; K1956-L1959 PolarHBondContact O-N 2.74Å; K1956-I1960 WeakPolarHBondContact O-CG1 3.25Å; K1956-I1960 PolarHBondContact O-N 2.79Å |
| 1957 | L | 53.8 | Low | 46.5 | Very low | 86 Ų | 86 | 80.1 Ų | 80.1 | 45% | 0.45 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 177 | -74.2 | 166.9 | 0 | 0 | 0 | 112.2 | N1953 E1954 F1955 L1959 I1960 D1961 | N1953-L1957 WeakPolarHBondContact O-CB 3.38Å; N1953-L1957 VanDerWaalsContact O-CG 3.28Å; N1953-L1957 WeakPolarHBondContact O-CG 3.47Å; N1953-L1957 PolarHBondContact O-N 2.98Å; E1954-L1957 PolarHBondContact O-N 2.66Å; F1955-L1957 PolarHBondContact O-N 3.19Å; L1957-L1959 VanDerWaalsContact C-N 3.32Å; L1957-L1959 PolarHBondContact O-N 3.13Å; L1957-I1960 PolarHBondContact O-N 2.75Å; L1957-D1961 PolarHBondContact O-N 3.19Å |
| 1958 | R | 49.9 | Very low | 47.6 | Very low | 91 Ų | 91 | 81.4 Ų | 81.4 | 34% | 0.343 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 174.1 | -71.1 | 174.3 | -177.3 | -102 | 5.6 | 111.9 | E1954 F1955 D1961 I1962 C2139 | E1954-R1958 WeakPolarHBondContact O-CG 3.4Å; E1954-R1958 PolarHBondContact O-N 2.87Å; E1954-R1958 IonicContact OE1-CZ 3.54Å; E1954-R1958 IonicContact OE1-NE 2.74Å; E1954-R1958 PolarHBondContact OE1-NE 2.78Å; E1954-R1958 IonicContact OE1-NH2 3.47Å; E1954-R1958 PolarHBondContact OE1-NH2 2.81Å; F1955-R1958 PolarHBondContact O-N 2.85Å; R1958-D1961 PolarHBondContact O-N 3.47Å; R1958-I1962 VanDerWaalsContact O-CG1 3.29Å; R1958-I1962 WeakPolarHBondContact O-CG1 3.13Å; R1958-I1962 PolarHBondContact O-N 2.94Å; R1958-C2139 PolarHBondContact NH1-SG 2.83Å; R1958-C2139 VanDerWaalsContact NH1-SG 3.45Å |
| 1959 | L | 53.3 | Low | 48.7 | Very low | 29 Ų | 29 | 75.5 Ų | 75.5 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.9 | -35.8 | 177.7 | -146.7 | 151 | 0 | 0 | 0 | 112 | F1955 K1956 L1957 L1963 L2103 I2107 | F1955-L1959 HydrophobicContact CE1-CD1 3.69Å; F1955-L1959 HydrophobicContact CZ-CD1 3.88Å; F1955-L1959 WeakPolarHBondContact O-CB 3.01Å; F1955-L1959 PolarHBondContact O-N 2.86Å; K1956-L1959 PolarHBondContact O-N 2.74Å; L1957-L1959 VanDerWaalsContact C-N 3.32Å; L1957-L1959 PolarHBondContact O-N 3.13Å; L1959-L1963 HydrophobicContact CD2-CD1 4.16Å; L1959-L1963 PolarHBondContact O-N 3.32Å; L1959-L1963 VanDerWaalsContact O-N 3.1Å; L1959-L2103 HydrophobicContact CD2-CD2 4.35Å; L1959-I2107 HydrophobicContact CD2-CD1 3.84Å; L1959-I2107 HydrophobicContact CD2-CG1 3.63Å |
| 1960 | I | 58 | Low | 49.9 | Very low | 13 Ų | 13 | 72.8 Ų | 72.8 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 170 | -68.1 | 165.6 | 0 | 0 | 0 | 111.4 | K1956 L1957 L1963 T1964 L2030 I2107 | K1956-I1960 WeakPolarHBondContact O-CG1 3.25Å; K1956-I1960 PolarHBondContact O-N 2.79Å; L1957-I1960 PolarHBondContact O-N 2.75Å; I1960-L1963 PolarHBondContact O-N 3.1Å; I1960-T1964 WeakPolarHBondContact O-CB 3.5Å; I1960-T1964 PolarHBondContact O-N 3.13Å; I1960-T1964 PolarHBondContact O-OG1 3.28Å; I1960-L2030 HydrophobicContact CG2-CB 4.33Å; I1960-L2030 HydrophobicContact CG2-CD1 4.27Å; I1960-L2030 HydrophobicContact CG2-CD2 4.1Å; I1960-L2030 HydrophobicContact CG2-CG 4.47Å; I1960-I2107 HydrophobicContact CB-CD1 4.34Å; I1960-I2107 HydrophobicContact CG1-CD1 3.47Å; I1960-I2107 VanDerWaalsContact CG1-CD1 3.47Å |
| 1961 | D | 55.1 | Low | 50.6 | Low | 65 Ų | 65 | 68 Ų | 68 | 35% | 0.348 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 177.8 | 177.6 | 38.2 | 0 | 0 | 0 | 111.5 | L1957 R1958 L1963 T1964 R1965 | L1957-D1961 PolarHBondContact O-N 3.19Å; R1958-D1961 PolarHBondContact O-N 3.47Å; D1961-L1963 PolarHBondContact O-N 3.01Å; D1961-T1964 PolarHBondContact O-N 3.32Å; D1961-R1965 VanDerWaalsContact CG-NE 3.28Å; D1961-R1965 VanDerWaalsContact CG-NH2 3.29Å; D1961-R1965 WeakPolarHBondContact O-CG 3.14Å; D1961-R1965 PolarHBondContact O-N 2.8Å; D1961-R1965 IonicContact OD1-CZ 2.68Å; D1961-R1965 IonicContact OD1-NE 3.13Å; D1961-R1965 PolarHBondContact OD1-NE 2.96Å; D1961-R1965 IonicContact OD1-NH2 3.93Å; D1961-R1965 PolarHBondContact OD1-NH2 2.98Å; D1961-R1965 VanDerWaalsContact OD1-NH2 3.13Å; D1961-R1965 IonicContact OD2-CZ 2.72Å; D1961-R1965 IonicContact OD2-NE 2.63Å; D1961-R1965 PolarHBondContact OD2-NE 2.7Å; D1961-R1965 IonicContact OD2-NH2 3.51Å; D1961-R1965 PolarHBondContact OD2-NH2 3.31Å |
| 1962 | I | 54.7 | Low | 50.8 | Low | 59 Ų | 59 | 67.1 Ų | 67.1 | 30% | 0.303 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.1 | -49 | 173.9 | -69.4 | 165.1 | 0 | 0 | 0 | 110.9 | R1958 T1964 R1965 Y1966 | R1958-I1962 VanDerWaalsContact O-CG1 3.29Å; R1958-I1962 WeakPolarHBondContact O-CG1 3.13Å; R1958-I1962 PolarHBondContact O-N 2.94Å; I1962-T1964 VanDerWaalsContact C-N 3.33Å; I1962-T1964 PolarHBondContact O-N 3.29Å; I1962-R1965 PolarHBondContact O-N 2.92Å; I1962-Y1966 HydrophobicContact CG2-CD2 4.17Å; I1962-Y1966 HydrophobicContact CG2-CE2 4.43Å; I1962-Y1966 WeakPolarHBondContact O-CD2 3.34Å; I1962-Y1966 PolarHBondContact O-N 2.81Å |
| 1963 | L | 57 | Low | 50.8 | Low | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.3 | -34.9 | 176.7 | -93 | 165.2 | 0 | 0 | 0 | 113.2 | L1959 I1960 D1961 G1967 L2034 F2100 L2103 I2107 | L1959-L1963 HydrophobicContact CD2-CD1 4.16Å; L1959-L1963 PolarHBondContact O-N 3.32Å; L1959-L1963 VanDerWaalsContact O-N 3.1Å; I1960-L1963 PolarHBondContact O-N 3.1Å; D1961-L1963 PolarHBondContact O-N 3.01Å; L1963-G1967 WeakPolarHBondContact O-CA 3.44Å; L1963-G1967 PolarHBondContact O-N 3.28Å; L1963-L2034 HydrophobicContact CB-CD2 4.09Å; L1963-F2100 HydrophobicContact CD2-CD2 3.48Å; L1963-F2100 VanDerWaalsContact CD2-CD2 3.48Å; L1963-F2100 HydrophobicContact CD2-CE2 3.61Å; L1963-F2100 HydrophobicContact CD2-CG 4.16Å; L1963-F2100 HydrophobicContact CD2-CZ 4.36Å; L1963-L2103 HydrophobicContact CD1-CB 3.95Å; L1963-L2103 HydrophobicContact CD2-CB 3.82Å; L1963-L2103 HydrophobicContact CG-CB 3.92Å; L1963-I2107 HydrophobicContact CD1-CB 4.42Å; L1963-I2107 HydrophobicContact CD1-CD1 3.42Å; L1963-I2107 VanDerWaalsContact CD1-CD1 3.42Å; L1963-I2107 HydrophobicContact CD1-CG1 3.68Å |
| 1964 | T | 53 | Low | 50.8 | Low | 48 Ų | 48 | 69.2 Ų | 69.2 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 177.4 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | I1960 D1961 I1962 R1968 | I1960-T1964 WeakPolarHBondContact O-CB 3.5Å; I1960-T1964 PolarHBondContact O-N 3.13Å; I1960-T1964 PolarHBondContact O-OG1 3.28Å; D1961-T1964 PolarHBondContact O-N 3.32Å; I1962-T1964 VanDerWaalsContact C-N 3.33Å; I1962-T1964 PolarHBondContact O-N 3.29Å; T1964-R1968 WeakPolarHBondContact O-CB 3.48Å; T1964-R1968 PolarHBondContact O-N 3.49Å |
| 1965 | R | 50 | Low | 50.4 | Low | 156 Ų | 156 | 70.4 Ų | 70.4 | 59% | 0.589 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -69 | -42.9 | 174.9 | -67.4 | 176.2 | -162.3 | -149.3 | 6.9 | 112.6 | D1961 I1962 L1969 | D1961-R1965 VanDerWaalsContact CG-NE 3.28Å; D1961-R1965 VanDerWaalsContact CG-NH2 3.29Å; D1961-R1965 WeakPolarHBondContact O-CG 3.14Å; D1961-R1965 PolarHBondContact O-N 2.8Å; D1961-R1965 IonicContact OD1-CZ 2.68Å; D1961-R1965 IonicContact OD1-NE 3.13Å; D1961-R1965 PolarHBondContact OD1-NE 2.96Å; D1961-R1965 IonicContact OD1-NH2 3.93Å; D1961-R1965 PolarHBondContact OD1-NH2 2.98Å; D1961-R1965 VanDerWaalsContact OD1-NH2 3.13Å; D1961-R1965 IonicContact OD2-CZ 2.72Å; D1961-R1965 IonicContact OD2-NE 2.63Å; D1961-R1965 PolarHBondContact OD2-NE 2.7Å; D1961-R1965 IonicContact OD2-NH2 3.51Å; D1961-R1965 PolarHBondContact OD2-NH2 3.31Å; I1962-R1965 PolarHBondContact O-N 2.92Å; R1965-L1969 PolarHBondContact O-N 3.12Å |
| 1966 | Y | 53.9 | Low | 49.9 | Very low | 49 Ų | 49 | 71.4 Ų | 71.4 | 19% | 0.192 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.1 | -48 | 174 | -94.8 | -100.2 | 0 | 0 | 0 | 111.7 | I1962 R1968 L1969 I1970 | I1962-Y1966 HydrophobicContact CG2-CD2 4.17Å; I1962-Y1966 HydrophobicContact CG2-CE2 4.43Å; I1962-Y1966 WeakPolarHBondContact O-CD2 3.34Å; I1962-Y1966 PolarHBondContact O-N 2.81Å; Y1966-R1968 VanDerWaalsContact C-N 3.3Å; Y1966-R1968 PolarHBondContact O-N 2.83Å; Y1966-L1969 PolarHBondContact O-N 3.25Å; Y1966-I1970 VanDerWaalsContact O-CG1 3.29Å; Y1966-I1970 WeakPolarHBondContact O-CG1 3.44Å; Y1966-I1970 PolarHBondContact O-N 3.04Å |
| 1967 | G | 53.9 | Low | 49.3 | Very low | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.1 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1963 I1970 A1971 | L1963-G1967 WeakPolarHBondContact O-CA 3.44Å; L1963-G1967 PolarHBondContact O-N 3.28Å; G1967-I1970 PolarHBondContact O-N 3.13Å; G1967-A1971 WeakPolarHBondContact O-CB 3.42Å; G1967-A1971 PolarHBondContact O-N 3.33Å |
| 1968 | R | 49.4 | Very low | 48.4 | Very low | 145 Ų | 145 | 73.7 Ų | 73.7 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 172 | 178.8 | 177.4 | 173.4 | -171.8 | -5.4 | 112.1 | T1964 Y1966 I1970 A1971 E1972 | T1964-R1968 WeakPolarHBondContact O-CB 3.48Å; T1964-R1968 PolarHBondContact O-N 3.49Å; Y1966-R1968 VanDerWaalsContact C-N 3.3Å; Y1966-R1968 PolarHBondContact O-N 2.83Å; R1968-I1970 VanDerWaalsContact C-N 3.28Å; R1968-I1970 PolarHBondContact O-N 3.25Å; R1968-A1971 PolarHBondContact O-N 2.9Å; R1968-E1972 HydrophobicContact CG-CG 4.17Å; R1968-E1972 IonicContact CZ-OE1 3.17Å; R1968-E1972 IonicContact NE-OE1 3.51Å; R1968-E1972 PolarHBondContact NE-OE1 3.31Å; R1968-E1972 IonicContact NE-OE2 3.71Å; R1968-E1972 IonicContact NH2-OE1 3.42Å; R1968-E1972 PolarHBondContact NH2-OE1 3.29Å; R1968-E1972 WeakPolarHBondContact O-CB 3.38Å; R1968-E1972 WeakPolarHBondContact O-CG 3.4Å; R1968-E1972 PolarHBondContact O-N 3.25Å |
| 1969 | L | 50.4 | Low | 47.6 | Very low | 96 Ų | 96 | 78.5 Ų | 78.5 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61 | -34.5 | 178.8 | -92.8 | 163.7 | 0 | 0 | 0 | 113.5 | R1965 Y1966 R1973 | R1965-L1969 PolarHBondContact O-N 3.12Å; Y1966-L1969 PolarHBondContact O-N 3.25Å; L1969-R1973 WeakPolarHBondContact O-CG 2.96Å |
| 1970 | I | 53.8 | Low | 46.5 | Very low | 16 Ų | 16 | 84.2 Ų | 84.2 | 8% | 0.082 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -74.8 | -44.8 | 175.8 | -64.9 | 164.2 | 0 | 0 | 0 | 110.2 | Y1966 G1967 R1968 R1973 L1974 L2041 L2097 F2100 | Y1966-I1970 VanDerWaalsContact O-CG1 3.29Å; Y1966-I1970 WeakPolarHBondContact O-CG1 3.44Å; Y1966-I1970 PolarHBondContact O-N 3.04Å; G1967-I1970 PolarHBondContact O-N 3.13Å; R1968-I1970 VanDerWaalsContact C-N 3.28Å; R1968-I1970 PolarHBondContact O-N 3.25Å; I1970-R1973 PolarHBondContact O-N 2.91Å; I1970-L1974 HydrophobicContact CG2-CD1 3.9Å; I1970-L1974 WeakPolarHBondContact O-CG 3.32Å; I1970-L1974 PolarHBondContact O-N 2.69Å; I1970-L2041 HydrophobicContact CG2-CD2 3.68Å; I1970-L2097 HydrophobicContact CD1-CD2 4.27Å; I1970-L2097 HydrophobicContact CG2-CD2 3.93Å; I1970-F2100 HydrophobicContact CD1-CB 4.13Å; I1970-F2100 HydrophobicContact CD1-CD2 4.32Å; I1970-F2100 HydrophobicContact CD1-CG 4.28Å |
| 1971 | A | 47.9 | Very low | 45 | Very low | 33 Ų | 33 | 91.4 Ų | 91.4 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1967 R1968 R1973 L1974 I1975 | G1967-A1971 WeakPolarHBondContact O-CB 3.42Å; G1967-A1971 PolarHBondContact O-N 3.33Å; R1968-A1971 PolarHBondContact O-N 2.9Å; A1971-R1973 VanDerWaalsContact C-N 3.31Å; A1971-R1973 PolarHBondContact O-N 2.77Å; A1971-L1974 PolarHBondContact O-N 3.13Å; A1971-I1975 HydrophobicContact CB-CD1 4.33Å; A1971-I1975 VanDerWaalsContact O-CB 3.24Å; A1971-I1975 WeakPolarHBondContact O-CB 3.42Å; A1971-I1975 WeakPolarHBondContact O-CD1 3.47Å; A1971-I1975 WeakPolarHBondContact O-CG1 3.4Å; A1971-I1975 PolarHBondContact O-N 3.05Å |
| 1972 | E | 43.8 | Very low | 43.8 | Very low | 82 Ų | 82 | 95.4 Ų | 95.4 | 38% | 0.383 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 175.8 | -75.6 | 173.5 | 154.6 | 0 | 0 | 110.5 | R1968 I1975 C1976 | R1968-E1972 HydrophobicContact CG-CG 4.17Å; R1968-E1972 IonicContact CZ-OE1 3.17Å; R1968-E1972 IonicContact NE-OE1 3.51Å; R1968-E1972 PolarHBondContact NE-OE1 3.31Å; R1968-E1972 IonicContact NE-OE2 3.71Å; R1968-E1972 IonicContact NH2-OE1 3.42Å; R1968-E1972 PolarHBondContact NH2-OE1 3.29Å; R1968-E1972 WeakPolarHBondContact O-CB 3.38Å; R1968-E1972 WeakPolarHBondContact O-CG 3.4Å; R1968-E1972 PolarHBondContact O-N 3.25Å; E1972-I1975 PolarHBondContact O-N 3.33Å; E1972-C1976 WeakPolarHBondContact O-CB 3.45Å; E1972-C1976 PolarHBondContact O-N 2.99Å; E1972-C1976 PolarHBondContact O-SG 3.45Å |
| 1973 | R | 41.6 | Very low | 42.4 | Very low | 180 Ų | 180 | 101.1 Ų | 101.1 | 68% | 0.679 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.9 | -39.1 | 175.8 | -73.4 | -175 | 170.9 | -144 | -5.3 | 113.8 | L1969 I1970 A1971 L1977 | L1969-R1973 WeakPolarHBondContact O-CG 2.96Å; I1970-R1973 PolarHBondContact O-N 2.91Å; A1971-R1973 VanDerWaalsContact C-N 3.31Å; A1971-R1973 PolarHBondContact O-N 2.77Å; R1973-L1977 PolarHBondContact O-N 3.07Å |
| 1974 | L | 45.7 | Very low | 40.9 | Very low | 54 Ų | 54 | 108.4 Ų | 108.4 | 28% | 0.283 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.7 | -25.8 | 177 | -73.3 | 170.9 | 0 | 0 | 0 | 113.8 | I1970 A1971 N1978 L2041 L2044 | I1970-L1974 HydrophobicContact CG2-CD1 3.9Å; I1970-L1974 WeakPolarHBondContact O-CG 3.32Å; I1970-L1974 PolarHBondContact O-N 2.69Å; A1971-L1974 PolarHBondContact O-N 3.13Å; L1974-N1978 PolarHBondContact O-ND2 2.68Å; L1974-L2041 HydrophobicContact CD1-CD2 3.47Å; L1974-L2041 VanDerWaalsContact CD1-CD2 3.47Å; L1974-L2044 HydrophobicContact CD1-CD1 4.27Å |
| 1975 | I | 39.4 | Very low | 39.6 | Very low | 101 Ų | 101 | 111.3 Ų | 111.3 | 52% | 0.518 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -81.8 | -38.1 | 177 | -69.6 | 166.4 | 0 | 0 | 0 | 110.6 | A1971 E1972 L1977 N1978 Y1979 | A1971-I1975 HydrophobicContact CB-CD1 4.33Å; A1971-I1975 VanDerWaalsContact O-CB 3.24Å; A1971-I1975 WeakPolarHBondContact O-CB 3.42Å; A1971-I1975 WeakPolarHBondContact O-CD1 3.47Å; A1971-I1975 WeakPolarHBondContact O-CG1 3.4Å; A1971-I1975 PolarHBondContact O-N 3.05Å; E1972-I1975 PolarHBondContact O-N 3.33Å; I1975-L1977 PolarHBondContact O-N 3.33Å; I1975-N1978 PolarHBondContact O-N 3.17Å; I1975-Y1979 PolarHBondContact O-N 2.8Å |
| 1976 | C | 35.7 | Very low | 38.4 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 64% | 0.642 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.1 | -29.8 | 171.4 | -73.9 | 0 | 0 | 0 | 0 | 112.9 | E1972 N1978 | E1972-C1976 WeakPolarHBondContact O-CB 3.45Å; E1972-C1976 PolarHBondContact O-N 2.99Å; E1972-C1976 PolarHBondContact O-SG 3.45Å; C1976-N1978 VanDerWaalsContact C-N 3.35Å |
| 1977 | L | 35.9 | Very low | 37.1 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -17.6 | 172.5 | -81.6 | 162.7 | 0 | 0 | 0 | 114.3 | R1973 I1975 | R1973-L1977 PolarHBondContact O-N 3.07Å; I1975-L1977 PolarHBondContact O-N 3.33Å |
| 1978 | N | 33.4 | Very low | 35.8 | Very low | 112 Ų | 112 | 125 Ų | 125 | 60% | 0.599 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -2.5 | -177.5 | -97.7 | -72.7 | 0 | 0 | 0 | 114.3 | L1974 I1975 C1976 | L1974-N1978 PolarHBondContact O-ND2 2.68Å; I1975-N1978 PolarHBondContact O-N 3.17Å; C1976-N1978 VanDerWaalsContact C-N 3.35Å |
| 1979 | Y | 33.3 | Very low | 34.6 | Very low | 193 Ų | 193 | 125.9 Ų | 125.9 | 76% | 0.757 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -91.4 | 5.2 | -171.1 | -148.1 | -100.3 | 0 | 0 | 0 | 114.9 | I1975 | I1975-Y1979 PolarHBondContact O-N 2.8Š|
| 1980 | I | 30.3 | Very low | 33.5 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 76% | 0.764 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -108.8 | -9.7 | -171.3 | -67.6 | 177.9 | 0 | 0 | 0 | 113.4 | ||
| 1981 | H | 26.8 | Very low | 32.1 | Very low | 163 Ų | 163 | 140 Ų | 140 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -144.8 | 65.7 | -177.9 | -133.4 | 65.3 | 0 | 0 | 0 | 115.9 | ||
| 1982 | N | 31 | Very low | 31.2 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | 172.2 | 120.2 | 123.3 | -89.3 | -30.1 | 0 | 0 | 0 | 112 | |||||
| 1983 | Q | 24.9 | Very low | 30.9 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 84% | 0.841 | 71% | 0.709 | S | S | * | * | trans | -108.7 | 124.2 | 149.8 | -75.7 | -163.5 | 14.3 | 0 | 0 | 108.5 | ||||
| 1984 | L | 25 | Very low | 30.5 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 80% | 0.801 | 70% | 0.696 | S | S | * | * | 178.2 | 127.9 | 128.8 | -95.9 | 163.1 | 0 | 0 | 0 | 110 | |||||
| 1985 | T | 25 | Very low | 30.1 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | trans | 44.6 | 116.1 | 154.4 | 59.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1986 | Y | 25.3 | Very low | 30 | Very low | 217 Ų | 217 | 147.8 Ų | 147.8 | 85% | 0.851 | 72% | 0.718 | S | S | * | * | -162.6 | 162.8 | 57.3 | -113 | -81.5 | 0 | 0 | 0 | 114.3 | |||||
| 1987 | S | 26.3 | Very low | 30.1 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | trans | 74.3 | 137 | 165.7 | 78.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1988 | N | 25.9 | Very low | 30.1 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 87% | 0.872 | 70% | 0.703 | S | S | * | * | trans | -92.6 | 120.8 | -179.8 | -76.3 | -57 | 0 | 0 | 0 | 111.5 | ||||
| 1989 | Q | 25.4 | Very low | 30.4 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | trans | -165.8 | 160.4 | 146.9 | -108 | 159.5 | 35.8 | 0 | 0 | 110.8 | ||||
| 1990 | Y | 26.5 | Very low | 30.4 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 75% | 0.749 | 68% | 0.684 | S | S | * | * | trans | 64.6 | 77.1 | 178.8 | -51.3 | -71.8 | 0 | 0 | 0 | 117.6 | W1992 | Y1990-W1992 PolarHBondContact O-N 3.41Š| ||
| 1991 | K | 25.4 | Very low | 30.6 | Very low | 216 Ų | 216 | 139.3 Ų | 139.3 | 94% | 0.939 | 67% | 0.672 | S | S | * | * | trans | -62.2 | 113.1 | 153.4 | -79.4 | -176.1 | 174.3 | -179.3 | 0 | 109.5 | ||||
| 1992 | W | 28.8 | Very low | 31 | Very low | 188 Ų | 188 | 135.3 Ų | 135.3 | 71% | 0.712 | 66% | 0.661 | S | S | * | * | trans | -121.7 | 108.2 | 170.6 | -98 | 50.3 | 0 | 0 | 0 | 110.5 | Y1990 Y2033 | Y1990-W1992 PolarHBondContact O-N 3.41Å; W1992-Y2033 AromaticContact CH2-CE2 3.68Å; W1992-Y2033 HydrophobicContact CH2-CE2 3.68Å; W1992-Y2033 AromaticContact CH2-CZ 3.84Å; W1992-Y2033 HydrophobicContact CZ3-CE2 4.12Å; W1992-Y2033 AromaticContact CZ3-CZ 3.78Å; W1992-Y2033 WeakPolarHBondContact CZ3-OH 3.25Å | ||
| 1993 | S | 37 | Very low | 30.9 | Very low | 65 Ų | 65 | 134.9 Ų | 134.9 | 46% | 0.455 | 65% | 0.652 | S | S | . | * | trans | -127.1 | 105.3 | 169.6 | 53.4 | 0 | 0 | 0 | 0 | 108.1 | Y1995 N1996 | S1993-Y1995 PolarHBondContact O-N 3.43Å; S1993-Y1995 VanDerWaalsContact O-N 3.15Å; S1993-N1996 PolarHBondContact O-N 2.92Å; S1993-N1996 PolarHBondContact OG-ND2 2.79Å | ||
| 1994 | L | 33.8 | Very low | 31.1 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 42% | 0.424 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -58.6 | -32.5 | -169.7 | -173.1 | 61.5 | 0 | 0 | 0 | 112.7 | F1997 M1998 Y2033 | L1994-F1997 PolarHBondContact O-N 2.87Å; L1994-M1998 HydrophobicContact CG-CG 4.45Å; L1994-M1998 WeakPolarHBondContact O-CG 3.3Å; L1994-M1998 PolarHBondContact O-N 3.11Å; L1994-Y2033 WeakPolarHBondContact CD1-OH 3.42Å |
| 1995 | Y | 36.4 | Very low | 31.3 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 69% | 0.694 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -53.3 | -56.1 | 176.6 | -169.2 | -87.9 | 0 | 0 | 0 | 112.7 | S1993 F1997 M1998 E1999 | S1993-Y1995 PolarHBondContact O-N 3.43Å; S1993-Y1995 VanDerWaalsContact O-N 3.15Å; Y1995-F1997 VanDerWaalsContact C-N 3.25Å; Y1995-F1997 PolarHBondContact O-N 3.23Å; Y1995-M1998 PolarHBondContact O-N 3.23Å; Y1995-E1999 PolarHBondContact O-N 2.97Å; Y1995-E1999 VanDerWaalsContact O-N 3.09Å |
| 1996 | N | 36.9 | Very low | 31.4 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 55% | 0.551 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66.2 | -25.8 | -176.5 | -67.9 | -32.2 | 0 | 0 | 0 | 113 | S1993 | S1993-N1996 PolarHBondContact O-N 2.92Å; S1993-N1996 PolarHBondContact OG-ND2 2.79Å |
| 1997 | F | 39.1 | Very low | 31.4 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 50% | 0.496 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -74.7 | -45.6 | 176.2 | -170 | -107.6 | 0 | 0 | 0 | 111.4 | L1994 Y1995 S2000 | L1994-F1997 PolarHBondContact O-N 2.87Å; Y1995-F1997 VanDerWaalsContact C-N 3.25Å; Y1995-F1997 PolarHBondContact O-N 3.23Å; F1997-S2000 PolarHBondContact O-N 2.83Å; F1997-S2000 PolarHBondContact O-OG 2.88Å |
| 1998 | M | 35.7 | Very low | 31.5 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 48% | 0.483 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -64.2 | -42 | 179.2 | -66 | -69.3 | -82 | 0 | 0 | 112.1 | L1994 Y1995 S2000 K2001 C2002 | L1994-M1998 HydrophobicContact CG-CG 4.45Å; L1994-M1998 WeakPolarHBondContact O-CG 3.3Å; L1994-M1998 PolarHBondContact O-N 3.11Å; Y1995-M1998 PolarHBondContact O-N 3.23Å; M1998-S2000 VanDerWaalsContact C-N 3.29Å; M1998-S2000 PolarHBondContact O-N 3.42Å; M1998-K2001 PolarHBondContact O-N 3.46Å; M1998-C2002 PolarHBondContact O-N 2.79Å; M1998-C2002 VanDerWaalsContact O-N 3.12Å; M1998-C2002 PolarHBondContact O-SG 3.28Å |
| 1999 | E | 39.6 | Very low | 31.3 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 41% | 0.407 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -63.5 | -33.7 | -178.2 | -152.2 | -158.9 | 127.9 | 0 | 0 | 112.9 | Y1995 K2003 | Y1995-E1999 PolarHBondContact O-N 2.97Å; Y1995-E1999 VanDerWaalsContact O-N 3.09Å; E1999-K2003 IonicContact OE1-NZ 3.67Å; E1999-K2003 PolarHBondContact OE1-NZ 3.38Å |
| 2000 | S | 33.6 | Very low | 31.4 | Very low | 78 Ų | 78 | 127 Ų | 127 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -73.8 | -32.8 | -178.2 | 73.7 | 0 | 0 | 0 | 0 | 114.4 | F1997 M1998 | F1997-S2000 PolarHBondContact O-N 2.83Å; F1997-S2000 PolarHBondContact O-OG 2.88Å; M1998-S2000 VanDerWaalsContact C-N 3.29Å; M1998-S2000 PolarHBondContact O-N 3.42Å |
| 2001 | K | 34.3 | Very low | 31.3 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -93.5 | -23.5 | 179 | -79.6 | -161.2 | 176.9 | -175.2 | 0 | 114.3 | M1998 K2003 L2004 E2029 | M1998-K2001 PolarHBondContact O-N 3.46Å; K2001-K2003 VanDerWaalsContact C-N 3.28Å; K2001-K2003 PolarHBondContact O-N 3.15Å; K2001-L2004 PolarHBondContact O-N 3.47Å; K2001-E2029 IonicContact NZ-OE2 3.09Å; K2001-E2029 PolarHBondContact NZ-OE2 3Å; K2001-E2029 VanDerWaalsContact NZ-OE2 3.09Å |
| 2002 | C | 34.3 | Very low | 31.2 | Very low | 78 Ų | 78 | 124 Ų | 124 | 53% | 0.527 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -69.3 | -24.2 | 178 | -66.6 | 0 | 0 | 0 | 0 | 113.5 | M1998 L2004 | M1998-C2002 PolarHBondContact O-N 2.79Å; M1998-C2002 VanDerWaalsContact O-N 3.12Å; M1998-C2002 PolarHBondContact O-SG 3.28Å; C2002-L2004 PolarHBondContact O-N 3.18Å; C2002-L2004 VanDerWaalsContact O-N 3.14Å |
| 2003 | K | 30.2 | Very low | 31.1 | Very low | 141 Ų | 141 | 120.3 Ų | 120.3 | 61% | 0.613 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 0.5 | 178.6 | -77.2 | 170.3 | 172.6 | 165.5 | 0 | 115 | E1999 K2001 | E1999-K2003 IonicContact OE1-NZ 3.67Å; E1999-K2003 PolarHBondContact OE1-NZ 3.38Å; K2001-K2003 VanDerWaalsContact C-N 3.28Å; K2001-K2003 PolarHBondContact O-N 3.15Å |
| 2004 | L | 29.2 | Very low | 30.6 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 80% | 0.796 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 2.5 | -176.2 | -141.3 | 81.5 | 0 | 0 | 0 | 115.1 | K2001 C2002 | K2001-L2004 PolarHBondContact O-N 3.47Å; C2002-L2004 PolarHBondContact O-N 3.18Å; C2002-L2004 VanDerWaalsContact O-N 3.14Å |
| 2005 | L | 28.7 | Very low | 30.2 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 81% | 0.806 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -115.8 | 6.4 | -170.5 | -82.9 | 164.5 | 0 | 0 | 0 | 114.9 | ||
| 2006 | T | 27.4 | Very low | 29.6 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -135.5 | 41.5 | -171 | 46.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 2007 | S | 24.4 | Very low | 29 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | trans | -154.7 | 68.5 | -179.2 | 63.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2008 | S | 28 | Very low | 28.3 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | trans | 179 | 137.3 | 143.9 | 47.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2009 | S | 23 | Very low | 27.9 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 78% | 0.783 | 72% | 0.723 | S | S | * | * | trans | -155.8 | 78.6 | 174.2 | 64.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2010 | H | 27.6 | Very low | 27.3 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 78% | 0.778 | 74% | 0.737 | S | S | * | * | trans | -156 | 141.5 | 165.6 | -114.5 | -92.5 | 0 | 0 | 0 | 111.8 | ||||
| 2011 | E | 24.6 | Very low | 26.9 | Very low | 175 Ų | 175 | 129.3 Ų | 129.3 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 64.2 | 157.2 | 158.9 | -79.2 | 151.7 | -125.5 | 0 | 0 | 122.2 | ||||
| 2012 | L | 23.5 | Very low | 26.4 | Very low | 167 Ų | 167 | 129 Ų | 129 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -164.6 | 97.1 | -150.3 | -157.3 | 175.6 | 0 | 0 | 0 | 112.3 | ||||
| 2013 | S | 25.3 | Very low | 26.1 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -162.5 | 114.8 | 164.2 | 60.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2014 | Q | 27 | Very low | 26.1 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 45.2 | 113.8 | 143.6 | -62.2 | -174.2 | -5.6 | 0 | 0 | 123 | ||||
| 2015 | Q | 24.7 | Very low | 26.3 | Very low | 175 Ų | 175 | 126 Ų | 126 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | 70.2 | 143.4 | 123 | -68.9 | -178 | 4.2 | 0 | 0 | 120.8 | |||||
| 2016 | S | 24.5 | Very low | 26.7 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | cis | -160.4 | 157.7 | -1.4 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2017 | S | 25 | Very low | 27.2 | Very low | 122 Ų | 122 | 119 Ų | 119 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | 73.2 | 144.9 | 168.4 | 87 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2018 | S | 24.6 | Very low | 28.2 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | cis | -150.7 | -177.5 | -0 | 67.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2019 | S | 27 | Very low | 29 | Very low | 106 Ų | 106 | 121 Ų | 121 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | 76.7 | 101.1 | 170.6 | 72.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2020 | S | 26.7 | Very low | 30.2 | Very low | 98 Ų | 98 | 118.8 Ų | 118.8 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | trans | 34.3 | 100.8 | 133.1 | 56.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 2021 | S | 24.9 | Very low | 31.6 | Very low | 117 Ų | 117 | 112.7 Ų | 112.7 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | 45.5 | 91.9 | 126.6 | 62.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 2022 | S | 24.6 | Very low | 33.2 | Very low | 113 Ų | 113 | 109 Ų | 109 | 79% | 0.79 | 66% | 0.661 | S | S | * | * | trans | -145.3 | 69.1 | 164.7 | 51 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2023 | S | 26.9 | Very low | 34.8 | Very low | 116 Ų | 116 | 104.5 Ų | 104.5 | 81% | 0.811 | 63% | 0.633 | S | S | * | * | trans | -139.2 | 41.7 | -178.3 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2024 | S | 29.8 | Very low | 36.4 | Very low | 100 Ų | 100 | 99.4 Ų | 99.4 | 70% | 0.699 | 60% | 0.597 | S | S | * | * | trans | -122.2 | -4.5 | -177.2 | 53.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2025 | S | 33.4 | Very low | 38.4 | Very low | 90 Ų | 90 | 93.5 Ų | 93.5 | 63% | 0.629 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -76.4 | -36.8 | -170.5 | 49.9 | 0 | 0 | 0 | 0 | 115 | C2027 F2028 | S2025-C2027 PolarHBondContact O-N 3.05Å; S2025-F2028 PolarHBondContact O-N 3.17Å |
| 2026 | S | 37.9 | Very low | 40.1 | Very low | 81 Ų | 81 | 91.7 Ų | 91.7 | 57% | 0.566 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67 | -34 | -170.5 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | F2028 | S2026-F2028 VanDerWaalsContact C-N 3.35Å |
| 2027 | C | 38.8 | Very low | 41.9 | Very low | 55 Ų | 55 | 88.8 Ų | 88.8 | 37% | 0.372 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -76.1 | -22.7 | 176.1 | -67.5 | 0 | 0 | 0 | 0 | 112.9 | S2025 V2031 | S2025-C2027 PolarHBondContact O-N 3.05Å; C2027-V2031 WeakPolarHBondContact O-CG2 3.45Å; C2027-V2031 PolarHBondContact O-N 3.09Å |
| 2028 | F | 44.2 | Very low | 43.8 | Very low | 144 Ų | 144 | 85.3 Ų | 85.3 | 63% | 0.632 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -74.7 | -38.4 | -174.9 | -144.3 | -89.2 | 0 | 0 | 0 | 111.9 | S2025 S2026 L2030 V2031 Q2032 | S2025-F2028 PolarHBondContact O-N 3.17Å; S2026-F2028 VanDerWaalsContact C-N 3.35Å; F2028-L2030 VanDerWaalsContact C-N 3.34Å; F2028-L2030 PolarHBondContact O-N 3.24Å; F2028-V2031 PolarHBondContact O-N 3.28Å; F2028-Q2032 PolarHBondContact O-N 3.39Å |
| 2029 | E | 45.2 | Very low | 45.8 | Very low | 117 Ų | 117 | 86.7 Ų | 86.7 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 173.9 | -63.1 | -168.6 | 145.6 | 0 | 0 | 112 | K2001 Q2032 Y2033 | K2001-E2029 IonicContact NZ-OE2 3.09Å; K2001-E2029 PolarHBondContact NZ-OE2 3Å; K2001-E2029 VanDerWaalsContact NZ-OE2 3.09Å; E2029-Q2032 PolarHBondContact O-N 2.86Å; E2029-Y2033 PolarHBondContact O-N 3.13Å; E2029-Y2033 VanDerWaalsContact O-N 3.15Å |
| 2030 | L | 48.8 | Very low | 47.3 | Very low | 67 Ų | 67 | 90.3 Ų | 90.3 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -37.2 | -179.7 | -87.3 | 162.7 | 0 | 0 | 0 | 113 | I1960 F2028 Y2033 L2034 | I1960-L2030 HydrophobicContact CG2-CB 4.33Å; I1960-L2030 HydrophobicContact CG2-CD1 4.27Å; I1960-L2030 HydrophobicContact CG2-CD2 4.1Å; I1960-L2030 HydrophobicContact CG2-CG 4.47Å; F2028-L2030 VanDerWaalsContact C-N 3.34Å; F2028-L2030 PolarHBondContact O-N 3.24Å; L2030-Y2033 WeakPolarHBondContact O-CB 3.18Å; L2030-Y2033 PolarHBondContact O-N 3.26Å; L2030-L2034 PolarHBondContact O-N 2.99Å; L2030-L2034 VanDerWaalsContact O-N 3.1Å |
| 2031 | V | 56 | Low | 48.8 | Very low | 39 Ų | 39 | 86.1 Ų | 86.1 | 24% | 0.236 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64.3 | -47 | 173.8 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | C2027 F2028 Y2033 L2034 D2035 I2107 | C2027-V2031 WeakPolarHBondContact O-CG2 3.45Å; C2027-V2031 PolarHBondContact O-N 3.09Å; F2028-V2031 PolarHBondContact O-N 3.28Å; V2031-Y2033 PolarHBondContact O-N 2.86Å; V2031-Y2033 VanDerWaalsContact O-N 3.1Å; V2031-L2034 WeakPolarHBondContact O-CB 3.29Å; V2031-L2034 PolarHBondContact O-N 2.88Å; V2031-D2035 PolarHBondContact O-N 3.17Å; V2031-I2107 HydrophobicContact CG2-CG2 4.31Å |
| 2032 | Q | 58.5 | Low | 50.6 | Low | 99 Ų | 99 | 83.7 Ų | 83.7 | 46% | 0.463 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.3 | -24.7 | 174.8 | -70.1 | -173.6 | 0.1 | 0 | 0 | 113.8 | F2028 E2029 K2036 | F2028-Q2032 PolarHBondContact O-N 3.39Å; E2029-Q2032 PolarHBondContact O-N 2.86Å; Q2032-K2036 PolarHBondContact O-N 2.9Å |
| 2033 | Y | 56.7 | Low | 51.9 | Low | 72 Ų | 72 | 84.3 Ų | 84.3 | 28% | 0.282 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -76.4 | -40.7 | 175.6 | -148.6 | -82.5 | 0 | 0 | 0 | 111.9 | W1992 L1994 E2029 L2030 V2031 D2035 K2036 I2037 | W1992-Y2033 AromaticContact CH2-CE2 3.68Å; W1992-Y2033 HydrophobicContact CH2-CE2 3.68Å; W1992-Y2033 AromaticContact CH2-CZ 3.84Å; W1992-Y2033 HydrophobicContact CZ3-CE2 4.12Å; W1992-Y2033 AromaticContact CZ3-CZ 3.78Å; W1992-Y2033 WeakPolarHBondContact CZ3-OH 3.25Å; L1994-Y2033 WeakPolarHBondContact CD1-OH 3.42Å; E2029-Y2033 PolarHBondContact O-N 3.13Å; E2029-Y2033 VanDerWaalsContact O-N 3.15Å; L2030-Y2033 WeakPolarHBondContact O-CB 3.18Å; L2030-Y2033 PolarHBondContact O-N 3.26Å; V2031-Y2033 PolarHBondContact O-N 2.86Å; V2031-Y2033 VanDerWaalsContact O-N 3.1Å; Y2033-D2035 VanDerWaalsContact C-N 3.31Å; Y2033-D2035 PolarHBondContact O-N 3.38Å; Y2033-K2036 PolarHBondContact O-N 3.4Å; Y2033-I2037 HydrophobicContact CD1-CD1 3.98Å; Y2033-I2037 HydrophobicContact CE1-CD1 4.26Å; Y2033-I2037 WeakPolarHBondContact O-CG1 3.33Å; Y2033-I2037 PolarHBondContact O-N 3.26Å |
| 2034 | L | 59 | Low | 53.1 | Low | 4 Ų | 4 | 81.6 Ų | 81.6 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 171.3 | -72.8 | 168.7 | 0 | 0 | 0 | 111.4 | L1963 L2030 V2031 K2036 I2037 Y2038 Y2104 I2107 | L1963-L2034 HydrophobicContact CB-CD2 4.09Å; L2030-L2034 PolarHBondContact O-N 2.99Å; L2030-L2034 VanDerWaalsContact O-N 3.1Å; V2031-L2034 WeakPolarHBondContact O-CB 3.29Å; V2031-L2034 PolarHBondContact O-N 2.88Å; L2034-K2036 VanDerWaalsContact C-N 3.33Å; L2034-K2036 PolarHBondContact O-N 2.87Å; L2034-I2037 PolarHBondContact O-N 3.13Å; L2034-I2037 VanDerWaalsContact O-N 3.13Å; L2034-Y2038 WeakPolarHBondContact O-CB 3.47Å; L2034-Y2038 PolarHBondContact O-N 2.81Å; L2034-Y2104 HydrophobicContact CB-CD2 4.17Å; L2034-Y2104 HydrophobicContact CB-CE2 4.12Å; L2034-I2107 HydrophobicContact CD1-CD1 4.08Å; L2034-I2107 HydrophobicContact CD1-CG2 4.17Å |
| 2035 | D | 68.3 | Low | 54 | Low | 43 Ų | 43 | 78.9 Ų | 78.9 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 177.1 | -61.9 | 1.2 | 0 | 0 | 0 | 111.9 | V2031 Y2033 I2037 Y2038 E2039 Y2104 K2108 | V2031-D2035 PolarHBondContact O-N 3.17Å; Y2033-D2035 VanDerWaalsContact C-N 3.31Å; Y2033-D2035 PolarHBondContact O-N 3.38Å; D2035-I2037 VanDerWaalsContact C-N 3.32Å; D2035-I2037 PolarHBondContact O-N 2.8Å; D2035-Y2038 PolarHBondContact O-N 3.36Å; D2035-E2039 PolarHBondContact O-N 3.07Å; D2035-Y2104 PolarHBondContact OD1-OH 3.45Å; D2035-K2108 WeakPolarHBondContact OD1-CE 3.33Å; D2035-K2108 IonicContact OD1-NZ 2.71Å; D2035-K2108 PolarHBondContact OD1-NZ 2.84Å; D2035-K2108 IonicContact OD2-NZ 2.75Å; D2035-K2108 PolarHBondContact OD2-NZ 2.89Å |
| 2036 | K | 61.2 | Low | 54.5 | Low | 137 Ų | 137 | 77.7 Ų | 77.7 | 60% | 0.596 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68.7 | -29.8 | 177.1 | -72.5 | 173.2 | 179.6 | 172.9 | 0 | 113 | Q2032 Y2033 L2034 R2040 | Q2032-K2036 PolarHBondContact O-N 2.9Å; Y2033-K2036 PolarHBondContact O-N 3.4Å; L2034-K2036 VanDerWaalsContact C-N 3.33Å; L2034-K2036 PolarHBondContact O-N 2.87Å; K2036-R2040 WeakPolarHBondContact O-CB 3.43Å; K2036-R2040 PolarHBondContact O-N 3.45Å |
| 2037 | I | 62.6 | Low | 54.6 | Low | 37 Ų | 37 | 80.4 Ų | 80.4 | 19% | 0.19 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72.5 | -44.8 | 172.3 | -66.1 | 168.7 | 0 | 0 | 0 | 109.7 | Y2033 L2034 D2035 R2040 L2041 F2100 | Y2033-I2037 HydrophobicContact CD1-CD1 3.98Å; Y2033-I2037 HydrophobicContact CE1-CD1 4.26Å; Y2033-I2037 WeakPolarHBondContact O-CG1 3.33Å; Y2033-I2037 PolarHBondContact O-N 3.26Å; L2034-I2037 PolarHBondContact O-N 3.13Å; L2034-I2037 VanDerWaalsContact O-N 3.13Å; D2035-I2037 VanDerWaalsContact C-N 3.32Å; D2035-I2037 PolarHBondContact O-N 2.8Å; I2037-R2040 PolarHBondContact O-N 3.4Å; I2037-L2041 HydrophobicContact CG2-CD1 3.86Å; I2037-L2041 HydrophobicContact CG2-CG 4.38Å; I2037-L2041 WeakPolarHBondContact O-CB 3.49Å; I2037-L2041 VanDerWaalsContact O-CG 3.27Å; I2037-L2041 WeakPolarHBondContact O-CG 3.37Å; I2037-L2041 PolarHBondContact O-N 3.45Å; I2037-F2100 HydrophobicContact CG2-CE1 4.49Å; I2037-F2100 HydrophobicContact CG2-CE2 4.48Å; I2037-F2100 HydrophobicContact CG2-CZ 3.77Å |
| 2038 | Y | 65.6 | Low | 54.8 | Low | 50 Ų | 50 | 82.2 Ų | 82.2 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.4 | -51.1 | 178 | 175.2 | -99.3 | 0 | 0 | 0 | 112.5 | L2034 D2035 R2040 L2041 I2042 F2101 Y2104 | L2034-Y2038 WeakPolarHBondContact O-CB 3.47Å; L2034-Y2038 PolarHBondContact O-N 2.81Å; D2035-Y2038 PolarHBondContact O-N 3.36Å; Y2038-R2040 VanDerWaalsContact C-N 3.33Å; Y2038-R2040 PolarHBondContact O-N 2.79Å; Y2038-L2041 PolarHBondContact O-N 3.13Å; Y2038-I2042 HydrophobicContact CD1-CD1 4.11Å; Y2038-I2042 HydrophobicContact CD2-CD1 4.35Å; Y2038-I2042 HydrophobicContact CE1-CD1 3.52Å; Y2038-I2042 HydrophobicContact CE2-CD1 3.8Å; Y2038-I2042 PolarHBondContact O-N 2.95Å; Y2038-F2101 AromaticContact CD2-CD1 3.76Å; Y2038-F2101 HydrophobicContact CD2-CD1 3.76Å; Y2038-F2101 AromaticContact CD2-CE1 3.81Å; Y2038-F2101 HydrophobicContact CD2-CE1 3.81Å; Y2038-F2101 AromaticContact CE2-CD1 3.66Å; Y2038-F2101 HydrophobicContact CE2-CD1 3.66Å; Y2038-F2101 AromaticContact CE2-CE1 3.9Å; Y2038-F2101 HydrophobicContact CE2-CE1 3.9Å; Y2038-Y2104 AromaticContact CD1-CE1 3.65Å; Y2038-Y2104 HydrophobicContact CD1-CE1 3.65Å; Y2038-Y2104 AromaticContact CD1-CZ 3.64Å; Y2038-Y2104 WeakPolarHBondContact CD1-OH 3.27Å; Y2038-Y2104 AromaticContact CD2-CD1 3.33Å; Y2038-Y2104 HydrophobicContact CD2-CD1 3.33Å; Y2038-Y2104 HydrophobicContact CD2-CD2 4.38Å; Y2038-Y2104 AromaticContact CD2-CE1 3.23Å; Y2038-Y2104 HydrophobicContact CD2-CE1 3.23Å; Y2038-Y2104 HydrophobicContact CD2-CE2 4.31Å; Y2038-Y2104 AromaticContact CD2-CG 3.92Å; Y2038-Y2104 HydrophobicContact CD2-CG 3.92Å; Y2038-Y2104 AromaticContact CD2-CZ 3.75Å; Y2038-Y2104 AromaticContact CE1-CE1 3.8Å; Y2038-Y2104 HydrophobicContact CE1-CE1 3.8Å; Y2038-Y2104 AromaticContact CE2-CD1 3.51Å; Y2038-Y2104 HydrophobicContact CE2-CD1 3.51Å; Y2038-Y2104 AromaticContact CE2-CE1 3.4Å; Y2038-Y2104 HydrophobicContact CE2-CE1 3.4Å; Y2038-Y2104 VanDerWaalsContact CE2-CE1 3.4Å; Y2038-Y2104 HydrophobicContact CE2-CG 4.47Å; Y2038-Y2104 AromaticContact CG-CD1 3.9Å; Y2038-Y2104 HydrophobicContact CG-CD1 3.9Å; Y2038-Y2104 HydrophobicContact CG-CD2 4.44Å; Y2038-Y2104 AromaticContact CG-CE1 3.35Å; Y2038-Y2104 HydrophobicContact CG-CE1 3.35Å; Y2038-Y2104 AromaticContact CG-CE2 3.97Å; Y2038-Y2104 HydrophobicContact CG-CE2 3.97Å; Y2038-Y2104 HydrophobicContact CG-CG 4.4Å; Y2038-Y2104 AromaticContact CG-CZ 3.37Å; Y2038-Y2104 AromaticContact CZ-CE1 3.67Å |
| 2039 | E | 66.3 | Low | 54.3 | Low | 135 Ų | 135 | 78.8 Ų | 78.8 | 63% | 0.631 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.4 | -45.7 | 174.1 | -84.8 | -156 | 172.4 | 0 | 0 | 111.5 | D2035 L2041 I2042 K2043 | D2035-E2039 PolarHBondContact O-N 3.07Å; E2039-L2041 VanDerWaalsContact C-N 3.34Å; E2039-L2041 PolarHBondContact O-N 2.66Å; E2039-I2042 PolarHBondContact O-N 2.78Å; E2039-K2043 VanDerWaalsContact O-CB 3.26Å; E2039-K2043 WeakPolarHBondContact O-CB 3.45Å; E2039-K2043 PolarHBondContact O-N 2.99Å |
| 2040 | R | 58 | Low | 53.5 | Low | 182 Ų | 182 | 80.8 Ų | 80.8 | 69% | 0.687 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -68.8 | -33.1 | -177.1 | -167.5 | 167.2 | -174.1 | 151.6 | 1.7 | 112.3 | K2036 I2037 Y2038 L2044 | K2036-R2040 WeakPolarHBondContact O-CB 3.43Å; K2036-R2040 PolarHBondContact O-N 3.45Å; I2037-R2040 PolarHBondContact O-N 3.4Å; Y2038-R2040 VanDerWaalsContact C-N 3.33Å; Y2038-R2040 PolarHBondContact O-N 2.79Å; R2040-L2044 HydrophobicContact CG-CD1 4.33Å; R2040-L2044 WeakPolarHBondContact O-CB 3.49Å; R2040-L2044 WeakPolarHBondContact O-CD1 3.33Å; R2040-L2044 VanDerWaalsContact O-CG 3.23Å; R2040-L2044 WeakPolarHBondContact O-CG 3.32Å; R2040-L2044 PolarHBondContact O-N 3.11Å |
| 2041 | L | 58.8 | Low | 52.6 | Low | 10 Ų | 10 | 80.5 Ų | 80.5 | 5% | 0.052 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.1 | -50.2 | 170.6 | -74.7 | 169.5 | 0 | 0 | 0 | 111.2 | I1970 L1974 I2037 Y2038 E2039 K2043 L2044 T2045 L2097 F2100 F2101 | I1970-L2041 HydrophobicContact CG2-CD2 3.68Å; L1974-L2041 HydrophobicContact CD1-CD2 3.47Å; L1974-L2041 VanDerWaalsContact CD1-CD2 3.47Å; I2037-L2041 HydrophobicContact CG2-CD1 3.86Å; I2037-L2041 HydrophobicContact CG2-CG 4.38Å; I2037-L2041 WeakPolarHBondContact O-CB 3.49Å; I2037-L2041 VanDerWaalsContact O-CG 3.27Å; I2037-L2041 WeakPolarHBondContact O-CG 3.37Å; I2037-L2041 PolarHBondContact O-N 3.45Å; Y2038-L2041 PolarHBondContact O-N 3.13Å; E2039-L2041 VanDerWaalsContact C-N 3.34Å; E2039-L2041 PolarHBondContact O-N 2.66Å; L2041-K2043 VanDerWaalsContact C-N 3.32Å; L2041-K2043 PolarHBondContact O-N 2.85Å; L2041-L2044 PolarHBondContact O-N 2.76Å; L2041-T2045 PolarHBondContact O-N 3.32Å; L2041-T2045 PolarHBondContact O-OG1 3.44Å; L2041-T2045 VanDerWaalsContact O-OG1 3.14Å; L2041-L2097 HydrophobicContact CD2-CD2 4.38Å; L2041-F2100 HydrophobicContact CD1-CD1 3.89Å; L2041-F2100 HydrophobicContact CD1-CE1 3.46Å; L2041-F2100 VanDerWaalsContact CD1-CE1 3.46Å; L2041-F2100 HydrophobicContact CD1-CZ 3.97Å; L2041-F2101 HydrophobicContact CB-CZ 4.49Å |
| 2042 | I | 61.1 | Low | 51.2 | Low | 67 Ų | 67 | 85.2 Ų | 85.2 | 34% | 0.344 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 177.8 | -75.6 | -178 | 0 | 0 | 0 | 111.2 | Y2038 E2039 L2044 T2045 S2046 F2101 | Y2038-I2042 HydrophobicContact CD1-CD1 4.11Å; Y2038-I2042 HydrophobicContact CD2-CD1 4.35Å; Y2038-I2042 HydrophobicContact CE1-CD1 3.52Å; Y2038-I2042 HydrophobicContact CE2-CD1 3.8Å; Y2038-I2042 PolarHBondContact O-N 2.95Å; E2039-I2042 PolarHBondContact O-N 2.78Å; I2042-L2044 PolarHBondContact O-N 3.01Å; I2042-T2045 WeakPolarHBondContact CA-OG1 3.47Å; I2042-T2045 CarbonylContact O-C 3.58Å; I2042-T2045 PolarHBondContact O-N 3.48Å; I2042-T2045 VanDerWaalsContact O-N 3.14Å; I2042-T2045 PolarHBondContact O-OG1 2.96Å; I2042-S2046 WeakPolarHBondContact O-CB 3.35Å; I2042-S2046 PolarHBondContact O-N 2.96Å; I2042-S2046 PolarHBondContact O-OG 3.4Å; I2042-F2101 HydrophobicContact CG1-CE1 4.32Å; I2042-F2101 HydrophobicContact CG1-CZ 4.5Å |
| 2043 | K | 53.8 | Low | 49.8 | Very low | 125 Ų | 125 | 87.8 Ų | 87.8 | 54% | 0.543 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | -179.6 | -151.4 | 164 | -165.7 | 164.9 | 0 | 112.3 | E2039 L2041 S2046 Q2047 | E2039-K2043 VanDerWaalsContact O-CB 3.26Å; E2039-K2043 WeakPolarHBondContact O-CB 3.45Å; E2039-K2043 PolarHBondContact O-N 2.99Å; L2041-K2043 VanDerWaalsContact C-N 3.32Å; L2041-K2043 PolarHBondContact O-N 2.85Å; K2043-S2046 PolarHBondContact O-N 3.48Å; K2043-S2046 PolarHBondContact O-OG 2.96Å; K2043-Q2047 WeakPolarHBondContact O-CB 3.07Å; K2043-Q2047 VanDerWaalsContact O-CG 3.28Å; K2043-Q2047 WeakPolarHBondContact O-CG 3.4Å; K2043-Q2047 PolarHBondContact O-N 3.2Å; K2043-Q2047 VanDerWaalsContact O-N 3.12Å |
| 2044 | L | 50.2 | Low | 48.3 | Very low | 60 Ų | 60 | 87.5 Ų | 87.5 | 31% | 0.314 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.1 | -34.1 | 172.2 | -74.7 | 168.7 | 0 | 0 | 0 | 112.5 | L1974 R2040 L2041 I2042 | L1974-L2044 HydrophobicContact CD1-CD1 4.27Å; R2040-L2044 HydrophobicContact CG-CD1 4.33Å; R2040-L2044 WeakPolarHBondContact O-CB 3.49Å; R2040-L2044 WeakPolarHBondContact O-CD1 3.33Å; R2040-L2044 VanDerWaalsContact O-CG 3.23Å; R2040-L2044 WeakPolarHBondContact O-CG 3.32Å; R2040-L2044 PolarHBondContact O-N 3.11Å; L2041-L2044 PolarHBondContact O-N 2.76Å; I2042-L2044 PolarHBondContact O-N 3.01Å |
| 2045 | T | 49.9 | Very low | 46.9 | Very low | 43 Ų | 43 | 94.2 Ų | 94.2 | 26% | 0.264 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -79.7 | -19.7 | 175.9 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | L2041 I2042 T2048 L2066 | L2041-T2045 PolarHBondContact O-N 3.32Å; L2041-T2045 PolarHBondContact O-OG1 3.44Å; L2041-T2045 VanDerWaalsContact O-OG1 3.14Å; I2042-T2045 WeakPolarHBondContact CA-OG1 3.47Å; I2042-T2045 CarbonylContact O-C 3.58Å; I2042-T2045 PolarHBondContact O-N 3.48Å; I2042-T2045 VanDerWaalsContact O-N 3.14Å; I2042-T2045 PolarHBondContact O-OG1 2.96Å; T2045-T2048 PolarHBondContact O-OG1 3.18Å; T2045-L2066 HydrophobicContact CG2-CD1 4.49Å |
| 2046 | S | 44 | Very low | 44.8 | Very low | 64 Ų | 64 | 95.6 Ų | 95.6 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -95.6 | -27.2 | 179.9 | 64.8 | 0 | 0 | 0 | 0 | 114 | I2042 K2043 T2048 | I2042-S2046 WeakPolarHBondContact O-CB 3.35Å; I2042-S2046 PolarHBondContact O-N 2.96Å; I2042-S2046 PolarHBondContact O-OG 3.4Å; K2043-S2046 PolarHBondContact O-N 3.48Å; K2043-S2046 PolarHBondContact O-OG 2.96Å; S2046-T2048 PolarHBondContact O-N 3.24Å |
| 2047 | Q | 40.4 | Very low | 43.2 | Very low | 138 Ų | 138 | 98.7 Ų | 98.7 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.4 | 179.4 | -75.3 | -174.6 | -67.3 | 0 | 0 | 114.5 | K2043 A2049 | K2043-Q2047 WeakPolarHBondContact O-CB 3.07Å; K2043-Q2047 VanDerWaalsContact O-CG 3.28Å; K2043-Q2047 WeakPolarHBondContact O-CG 3.4Å; K2043-Q2047 PolarHBondContact O-N 3.2Å; K2043-Q2047 VanDerWaalsContact O-N 3.12Å; Q2047-A2049 VanDerWaalsContact C-N 3.31Å; Q2047-A2049 PolarHBondContact O-N 3.47Å |
| 2048 | T | 42.2 | Very low | 41.5 | Very low | 93 Ų | 93 | 104.3 Ų | 104.3 | 57% | 0.571 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 7.2 | 178.6 | 50.6 | 0 | 0 | 0 | 0 | 114.5 | T2045 S2046 | T2045-T2048 PolarHBondContact O-OG1 3.18Å; S2046-T2048 PolarHBondContact O-N 3.24Å |
| 2049 | A | 34.2 | Very low | 39.9 | Very low | 73 Ų | 73 | 106 Ų | 106 | 60% | 0.603 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -118.9 | -5.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116 | Q2047 | Q2047-A2049 VanDerWaalsContact C-N 3.31Å; Q2047-A2049 PolarHBondContact O-N 3.47Å |
| 2050 | L | 27.8 | Very low | 38.2 | Very low | 158 Ų | 158 | 109.1 Ų | 109.1 | 83% | 0.827 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -143.5 | 109.9 | -171.3 | -74.9 | 167.6 | 0 | 0 | 0 | 112.5 | ||
| 2051 | G | 29.3 | Very low | 37.1 | Very low | 61 Ų | 61 | 105.4 Ų | 105.4 | 63% | 0.629 | 60% | 0.595 | S | S | * | * | trans | 130.8 | 128.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D2053 | G2051-D2053 PolarHBondContact O-N 2.92Š| ||
| 2052 | T | 27.8 | Very low | 36 | Very low | 138 Ų | 138 | 107 Ų | 107 | 85% | 0.847 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -15.5 | -174.4 | 44.8 | 0 | 0 | 0 | 0 | 115 | ||
| 2053 | D | 28.8 | Very low | 34.7 | Very low | 153 Ų | 153 | 111.1 Ų | 111.1 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | 35.8 | -168.9 | -65.7 | -85 | 0 | 0 | 0 | 112.8 | G2051 | G2051-D2053 PolarHBondContact O-N 2.92Š|
| 2054 | S | 25 | Very low | 34 | Very low | 66 Ų | 66 | 111.4 Ų | 111.4 | 46% | 0.462 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -149.5 | 123.1 | 177.7 | 59.1 | 0 | 0 | 0 | 0 | 114.7 | G2056 | S2054-G2056 PolarHBondContact O-N 3.26Š|
| 2055 | I | 29 | Very low | 33.7 | Very low | 145 Ų | 145 | 109.4 Ų | 109.4 | 74% | 0.744 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 63.8 | -0.9 | 157 | -56.1 | 171.2 | 0 | 0 | 0 | 116.1 | F2057 | I2055-F2057 VanDerWaalsContact C-N 3.28Å; I2055-F2057 PolarHBondContact O-N 3.4Å |
| 2056 | G | 25.8 | Very low | 33.5 | Very low | 73 Ų | 73 | 109.5 Ų | 109.5 | 75% | 0.753 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 5.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | S2054 | S2054-G2056 PolarHBondContact O-N 3.26Š|
| 2057 | F | 26 | Very low | 33.4 | Very low | 201 Ų | 201 | 107.5 Ų | 107.5 | 88% | 0.882 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | -14 | -172.7 | -100.6 | -86.1 | 0 | 0 | 0 | 117.1 | I2055 | I2055-F2057 VanDerWaalsContact C-N 3.28Å; I2055-F2057 PolarHBondContact O-N 3.4Å |
| 2058 | N | 28.3 | Very low | 33.2 | Very low | 156 Ų | 156 | 103 Ų | 103 | 83% | 0.834 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -113.8 | 15.9 | -171.7 | -80.1 | -25.8 | 0 | 0 | 0 | 115.3 | ||
| 2059 | I | 31.8 | Very low | 33.4 | Very low | 84 Ų | 84 | 101.6 Ų | 101.6 | 43% | 0.431 | 59% | 0.592 | S | S | . | * | trans | -127.9 | 88.1 | 172.1 | -53.2 | 179 | 0 | 0 | 0 | 109.1 | L2061 | I2059-L2061 HydrophobicContact CG2-CB 4.25Å; I2059-L2061 HydrophobicContact CG2-CD1 4Å; I2059-L2061 HydrophobicContact CG2-CG 3.87Å; I2059-L2061 PolarHBondContact O-N 3.35Å | ||
| 2060 | Q | 29.2 | Very low | 33.9 | Very low | 201 Ų | 201 | 100.1 Ų | 100.1 | 94% | 0.939 | 57% | 0.573 | S | S | * | * | trans | -74.2 | 66.7 | 163.4 | -78.7 | -167.1 | -13.3 | 0 | 0 | 110.9 | G2062 | Q2060-G2062 PolarHBondContact O-N 3.01Š| ||
| 2061 | L | 36.6 | Very low | 34.6 | Very low | 105 Ų | 105 | 97.4 Ų | 97.4 | 55% | 0.55 | 56% | 0.559 | S | S | . | * | trans | -69.5 | 88 | 147.5 | -84.4 | 169.1 | 0 | 0 | 0 | 106.1 | I2059 A2065 | I2059-L2061 HydrophobicContact CG2-CB 4.25Å; I2059-L2061 HydrophobicContact CG2-CD1 4Å; I2059-L2061 HydrophobicContact CG2-CG 3.87Å; I2059-L2061 PolarHBondContact O-N 3.35Å; L2061-A2065 HydrophobicContact CD2-CB 4.21Å | ||
| 2062 | G | 33.7 | Very low | 34.8 | Very low | 44 Ų | 44 | 100.4 Ų | 100.4 | 45% | 0.454 | 56% | 0.56 | S | S | . | * | trans | -52.6 | 150.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q2060 H2064 A2065 | Q2060-G2062 PolarHBondContact O-N 3.01Å; G2062-H2064 PolarHBondContact O-N 2.91Å; G2062-A2065 WeakPolarHBondContact O-CB 3.43Å; G2062-A2065 PolarHBondContact O-N 2.96Å; G2062-A2065 VanDerWaalsContact O-N 3.13Å | ||
| 2063 | N | 34.7 | Very low | 35 | Very low | 153 Ų | 153 | 98.9 Ų | 98.9 | 82% | 0.818 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 19.4 | -165.5 | -64.2 | -13.9 | 0 | 0 | 0 | 116.4 | ||
| 2064 | H | 39.8 | Very low | 34.9 | Very low | 130 Ų | 130 | 97.7 Ų | 97.7 | 60% | 0.602 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | 6.5 | -175.8 | -43.3 | -63.8 | 0 | 0 | 0 | 112.1 | G2062 | G2062-H2064 PolarHBondContact O-N 2.91Š|
| 2065 | A | 43.8 | Very low | 35.1 | Very low | 19 Ų | 19 | 102.3 Ų | 102.3 | 16% | 0.157 | 57% | 0.573 | C | S | . | * | S | Bend | trans | -86.1 | -18.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L2061 G2062 G2094 | L2061-A2065 HydrophobicContact CD2-CB 4.21Å; G2062-A2065 WeakPolarHBondContact O-CB 3.43Å; G2062-A2065 PolarHBondContact O-N 2.96Å; G2062-A2065 VanDerWaalsContact O-N 3.13Å; A2065-G2094 WeakPolarHBondContact O-CA 3.25Å; A2065-G2094 PolarHBondContact O-N 3.4Å |
| 2066 | L | 44.5 | Very low | 34.9 | Very low | 45 Ų | 45 | 100.8 Ų | 100.8 | 24% | 0.236 | 57% | 0.574 | C | S | . | * | S | Bend | trans | -146.2 | 135.9 | -179.8 | -94.9 | 158.2 | 0 | 0 | 0 | 109.7 | T2045 G2068 L2070 L2097 | T2045-L2066 HydrophobicContact CG2-CD1 4.49Å; L2066-G2068 PolarHBondContact O-N 2.8Å; L2066-L2070 HydrophobicContact CD2-CB 4.48Å; L2066-L2070 HydrophobicContact CD2-CD2 3.64Å; L2066-L2097 HydrophobicContact CD1-CD1 4.34Å |
| 2067 | P | 41.7 | Very low | 34.8 | Very low | 21 Ų | 21 | 102.7 Ų | 102.7 | 14% | 0.136 | 56% | 0.562 | C | S | . | * | trans | -63.8 | 129.9 | 173.6 | -20.3 | 32.9 | 0 | 0 | 0 | 110.7 | W2069 L2070 I2098 | P2067-W2069 HydrophobicContact CB-CG 4.28Å; P2067-W2069 PolarHBondContact O-N 2.97Å; P2067-L2070 WeakPolarHBondContact O-CB 3.48Å; P2067-L2070 PolarHBondContact O-N 3.23Å; P2067-I2098 HydrophobicContact CG-CD1 3.86Å | ||
| 2068 | G | 37.5 | Very low | 34.9 | Very low | 45 Ų | 45 | 101.2 Ų | 101.2 | 46% | 0.464 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -58 | -21.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L2066 L2070 L2071 | L2066-G2068 PolarHBondContact O-N 2.8Å; G2068-L2070 PolarHBondContact O-N 3.33Å; G2068-L2071 PolarHBondContact O-N 2.83Å |
| 2069 | W | 46.8 | Very low | 34.8 | Very low | 63 Ų | 63 | 98.6 Ų | 98.6 | 24% | 0.239 | 55% | 0.548 | C | S | . | . | G | 310 helix | trans | -71.3 | -9.4 | 174 | 65.3 | -99.1 | 0 | 0 | 0 | 114.6 | P2067 Y2117 R2120 | P2067-W2069 HydrophobicContact CB-CG 4.28Å; P2067-W2069 PolarHBondContact O-N 2.97Å; W2069-Y2117 HydrophobicContact CE3-CE1 4.25Å; W2069-Y2117 AromaticContact CH2-CD1 3.61Å; W2069-Y2117 HydrophobicContact CH2-CD1 3.61Å; W2069-Y2117 HydrophobicContact CH2-CE1 4.09Å; W2069-Y2117 AromaticContact CZ3-CD1 3.38Å; W2069-Y2117 HydrophobicContact CZ3-CD1 3.38Å; W2069-Y2117 AromaticContact CZ3-CE1 3.39Å; W2069-Y2117 HydrophobicContact CZ3-CE1 3.39Å; W2069-Y2117 HydrophobicContact CZ3-CG 4.46Å; W2069-R2120 HydrophobicContact CH2-CB 3.92Å; W2069-R2120 HydrophobicContact CH2-CG 4.42Å; W2069-R2120 HydrophobicContact CZ2-CB 3.97Å |
| 2070 | L | 44.3 | Very low | 34.3 | Very low | 42 Ų | 42 | 102.6 Ų | 102.6 | 22% | 0.22 | 56% | 0.562 | C | S | . | * | G | 310 helix | trans | -86.9 | -13.3 | 171.3 | -142 | 90.8 | 0 | 0 | 0 | 113.1 | L2066 P2067 G2068 I2098 F2101 Y2117 | L2066-L2070 HydrophobicContact CD2-CB 4.48Å; L2066-L2070 HydrophobicContact CD2-CD2 3.64Å; P2067-L2070 WeakPolarHBondContact O-CB 3.48Å; P2067-L2070 PolarHBondContact O-N 3.23Å; G2068-L2070 PolarHBondContact O-N 3.33Å; L2070-I2098 HydrophobicContact CD1-CG1 4.46Å; L2070-F2101 HydrophobicContact CD2-CD2 4.07Å; L2070-F2101 HydrophobicContact CD2-CE2 3.95Å; L2070-Y2117 HydrophobicContact CD1-CD1 4.15Å; L2070-Y2117 HydrophobicContact CD1-CE1 3.69Å |
| 2071 | L | 42.7 | Very low | 34 | Very low | 101 Ų | 101 | 99.9 Ų | 99.9 | 53% | 0.529 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.5 | -11.3 | 179.1 | -73.6 | 164.5 | 0 | 0 | 0 | 113 | G2068 S2073 | G2068-L2071 PolarHBondContact O-N 2.83Å; L2071-S2073 PolarHBondContact O-N 3.47Å |
| 2072 | L | 33.7 | Very low | 33.6 | Very low | 123 Ų | 123 | 102.5 Ų | 102.5 | 64% | 0.644 | 57% | 0.568 | S | S | * | * | trans | -96.2 | 73.6 | -176.2 | -74.6 | 167.4 | 0 | 0 | 0 | 111.8 | ||||
| 2073 | S | 30.6 | Very low | 33.1 | Very low | 106 Ų | 106 | 109.5 Ų | 109.5 | 74% | 0.741 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -130.2 | 20.1 | 174.7 | 75.5 | 0 | 0 | 0 | 0 | 115.6 | L2071 | L2071-S2073 PolarHBondContact O-N 3.47Š|
| 2074 | T | 27.4 | Very low | 32.6 | Very low | 129 Ų | 129 | 108.9 Ų | 108.9 | 79% | 0.791 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -156.6 | 112 | 155.7 | 42.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 2075 | D | 28.2 | Very low | 32 | Very low | 163 Ų | 163 | 109.7 Ų | 109.7 | 87% | 0.872 | 59% | 0.594 | S | S | * | * | trans | 33 | 86.7 | 160.1 | -59.7 | -28.2 | 0 | 0 | 0 | 120.6 | ||||
| 2076 | C | 25.1 | Very low | 31 | Very low | 113 Ų | 113 | 114.2 Ų | 114.2 | 76% | 0.764 | 62% | 0.624 | S | S | * | * | trans | -149.9 | 145.4 | 147.7 | -97.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2077 | K | 25.3 | Very low | 30.1 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 49% | 0.491 | 65% | 0.65 | S | S | . | * | trans | -118.1 | 139.2 | 171.5 | -62 | -180 | -173.8 | 168.8 | 0 | 109.6 | Y1840 | Y1840-K2077 HydrophobicContact CD1-CD 3.86Å; Y1840-K2077 HydrophobicContact CE1-CB 3.95Å; Y1840-K2077 HydrophobicContact CE1-CD 3.69Å; Y1840-K2077 HydrophobicContact CE1-CG 4.48Å | ||
| 2078 | L | 27.7 | Very low | 29.5 | Very low | 169 Ų | 169 | 120 Ų | 120 | 89% | 0.885 | 66% | 0.662 | S | S | * | * | trans | -133.7 | 161.6 | 167.2 | -90 | 167.3 | 0 | 0 | 0 | 110.6 | ||||
| 2079 | N | 24.9 | Very low | 29.2 | Very low | 102 Ų | 102 | 123.5 Ų | 123.5 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | trans | -75.8 | 155.7 | -161.4 | -72.1 | -24 | 0 | 0 | 0 | 114.4 | F1839 Y1840 | F1839-N2079 HydrophobicContact CE1-CB 3.97Å; Y1840-N2079 WeakPolarHBondContact CE2-OD1 3.27Å; Y1840-N2079 PolarHBondContact OH-OD1 2.9Å | ||
| 2080 | K | 22.5 | Very low | 28.6 | Very low | 168 Ų | 168 | 125.4 Ų | 125.4 | 73% | 0.73 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -74.8 | 123.6 | 157.9 | -64.2 | 178.6 | 179.5 | 179.6 | 0 | 108.6 | ||
| 2081 | N | 23.4 | Very low | 28 | Very low | 143 Ų | 143 | 127.1 Ų | 127.1 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | trans | 156.1 | 92 | 145.6 | -83 | 2.6 | 0 | 0 | 0 | 109.3 | ||||
| 2082 | D | 26.9 | Very low | 28.1 | Very low | 160 Ų | 160 | 125.1 Ų | 125.1 | 86% | 0.856 | 70% | 0.7 | S | S | * | * | trans | -164.1 | 105.8 | 158.2 | -105.7 | -34.2 | 0 | 0 | 0 | 109 | N2084 | D2082-N2084 PolarHBondContact O-N 3.34Š| ||
| 2083 | E | 23 | Very low | 28.9 | Very low | 191 Ų | 191 | 122.4 Ų | 122.4 | 89% | 0.893 | 69% | 0.689 | S | S | * | * | trans | -93.2 | 65 | -175.9 | -65.4 | -170.1 | 138.7 | 0 | 0 | 111.7 | ||||
| 2084 | N | 24.8 | Very low | 29.9 | Very low | 141 Ų | 141 | 117.6 Ų | 117.6 | 75% | 0.754 | 66% | 0.655 | S | S | * | * | trans | -151.5 | 82.2 | 175.2 | -94.2 | -53.2 | 0 | 0 | 0 | 113.7 | D2082 | D2082-N2084 PolarHBondContact O-N 3.34Š| ||
| 2085 | L | 26.5 | Very low | 31.3 | Very low | 147 Ų | 147 | 112.7 Ų | 112.7 | 77% | 0.77 | 63% | 0.631 | S | S | * | * | trans | -138.5 | 94.9 | 163.3 | -99.9 | 105.2 | 0 | 0 | 0 | 111.3 | M2088 | L2085-M2088 HydrophobicContact CD2-CE 3.93Å; L2085-M2088 HydrophobicContact CD2-SD 4.43Å | ||
| 2086 | S | 23.3 | Very low | 32.8 | Very low | 113 Ų | 113 | 111.7 Ų | 111.7 | 79% | 0.79 | 62% | 0.615 | S | S | * | * | trans | -133.2 | 41 | 178.5 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2087 | S | 25.5 | Very low | 34.6 | Very low | 110 Ų | 110 | 107.1 Ų | 107.1 | 77% | 0.769 | 58% | 0.583 | S | S | * | * | trans | -166.5 | 115.9 | 159.2 | 38.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2088 | M | 30.1 | Very low | 36.5 | Very low | 79 Ų | 79 | 102.1 Ų | 102.1 | 39% | 0.389 | 56% | 0.561 | S | S | . | * | trans | -141.9 | 99.1 | 167 | -84.9 | -162.6 | 166.8 | 0 | 0 | 110.8 | L2085 Y2090 | L2085-M2088 HydrophobicContact CD2-CE 3.93Å; L2085-M2088 HydrophobicContact CD2-SD 4.43Å; M2088-Y2090 HydrophobicContact CB-CE2 3.92Å; M2088-Y2090 WeakPolarHBondContact O-CD2 3.48Å; M2088-Y2090 PolarHBondContact O-N 3.23Å; M2088-Y2090 HydrophobicContact SD-CE1 4.32Å | ||
| 2089 | N | 30.8 | Very low | 38.4 | Very low | 118 Ų | 118 | 95.5 Ų | 95.5 | 63% | 0.631 | 53% | 0.526 | S | S | * | . | trans | -76.2 | 104.9 | 168.7 | -84.3 | -25.9 | 0 | 0 | 0 | 109.6 | G2091 | N2089-G2091 PolarHBondContact O-N 2.96Š| ||
| 2090 | Y | 33.2 | Very low | 40.7 | Very low | 102 Ų | 102 | 90.6 Ų | 90.6 | 40% | 0.4 | 50% | 0.5 | S | S | . | . | trans | -73.1 | 28.1 | 177.9 | -67.4 | -77.9 | 0 | 0 | 0 | 114.3 | M2088 S2092 I2125 | M2088-Y2090 HydrophobicContact CB-CE2 3.92Å; M2088-Y2090 WeakPolarHBondContact O-CD2 3.48Å; M2088-Y2090 PolarHBondContact O-N 3.23Å; M2088-Y2090 HydrophobicContact SD-CE1 4.32Å; Y2090-S2092 VanDerWaalsContact C-N 3.34Å; Y2090-S2092 PolarHBondContact O-N 3.25Å; Y2090-I2125 HydrophobicContact CD2-CG1 4.38Å; Y2090-I2125 HydrophobicContact CD2-CG2 3.68Å; Y2090-I2125 HydrophobicContact CE2-CG1 4.42Å; Y2090-I2125 HydrophobicContact CE2-CG2 4.24Å; Y2090-I2125 HydrophobicContact CG-CG2 4.37Å | ||
| 2091 | G | 33 | Very low | 43.1 | Very low | 79 Ų | 79 | 83.8 Ų | 83.8 | 81% | 0.814 | 47% | 0.471 | S | S | * | . | trans | -87.2 | 37.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N2089 | N2089-G2091 PolarHBondContact O-N 2.96Š| ||
| 2092 | S | 43.7 | Very low | 45.3 | Very low | 58 Ų | 58 | 77.7 Ų | 77.7 | 41% | 0.406 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -141.9 | -170.6 | 179.9 | 83.7 | 0 | 0 | 0 | 0 | 113.9 | Y2090 G2094 G2095 | Y2090-S2092 VanDerWaalsContact C-N 3.34Å; Y2090-S2092 PolarHBondContact O-N 3.25Å; S2092-G2094 VanDerWaalsContact C-N 3.25Å; S2092-G2094 PolarHBondContact O-N 3.24Å; S2092-G2094 VanDerWaalsContact O-N 3.13Å; S2092-G2095 PolarHBondContact O-N 3Å |
| 2093 | V | 50.6 | Low | 47.3 | Very low | 67 Ų | 67 | 71.7 Ų | 71.7 | 41% | 0.406 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.7 | -32.3 | -165.9 | 178.5 | 0 | 0 | 0 | 0 | 113.6 | G2095 R2096 L2097 | V2093-G2095 VanDerWaalsContact C-N 3.33Å; V2093-G2095 PolarHBondContact O-N 3.47Å; V2093-R2096 PolarHBondContact O-N 2.88Å; V2093-L2097 HydrophobicContact CG1-CD1 4.02Å; V2093-L2097 HydrophobicContact CG1-CG 4.24Å; V2093-L2097 PolarHBondContact O-N 3.4Å; V2093-L2097 VanDerWaalsContact O-N 3.09Å |
| 2094 | G | 52.4 | Low | 49.8 | Very low | 4 Ų | 4 | 63.2 Ų | 63.2 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -53.7 | -42.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A2065 S2092 R2096 L2097 I2098 | A2065-G2094 WeakPolarHBondContact O-CA 3.25Å; A2065-G2094 PolarHBondContact O-N 3.4Å; S2092-G2094 VanDerWaalsContact C-N 3.25Å; S2092-G2094 PolarHBondContact O-N 3.24Å; S2092-G2094 VanDerWaalsContact O-N 3.13Å; G2094-R2096 PolarHBondContact O-N 2.95Å; G2094-L2097 PolarHBondContact O-N 3.45Å; G2094-L2097 VanDerWaalsContact O-N 3.13Å; G2094-I2098 WeakPolarHBondContact O-CG1 3.48Å; G2094-I2098 PolarHBondContact O-N 3.3Å |
| 2095 | G | 57.1 | Low | 51.8 | Low | 27 Ų | 27 | 57 Ų | 57 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -31.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S2092 V2093 I2099 | S2092-G2095 PolarHBondContact O-N 3Å; V2093-G2095 VanDerWaalsContact C-N 3.33Å; V2093-G2095 PolarHBondContact O-N 3.47Å; G2095-I2099 WeakPolarHBondContact O-CD1 3.29Å; G2095-I2099 VanDerWaalsContact O-CG1 3.32Å; G2095-I2099 WeakPolarHBondContact O-CG1 3.41Å; G2095-I2099 PolarHBondContact O-N 2.95Å |
| 2096 | R | 58.2 | Low | 53.5 | Low | 142 Ų | 142 | 52.3 Ų | 52.3 | 54% | 0.536 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -79.6 | -33 | 176.4 | -57.2 | -173.2 | -174.1 | -158.3 | 0.8 | 112.3 | V2093 G2094 F2100 | V2093-R2096 PolarHBondContact O-N 2.88Å; G2094-R2096 PolarHBondContact O-N 2.95Å; R2096-F2100 WeakPolarHBondContact O-CB 3.42Å; R2096-F2100 PolarHBondContact O-N 2.84Å |
| 2097 | L | 62.5 | Low | 55.6 | Low | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 171.8 | -75.4 | 166.5 | 0 | 0 | 0 | 111.5 | I1970 L2041 L2066 V2093 G2094 I2099 F2100 F2101 | I1970-L2097 HydrophobicContact CD1-CD2 4.27Å; I1970-L2097 HydrophobicContact CG2-CD2 3.93Å; L2041-L2097 HydrophobicContact CD2-CD2 4.38Å; L2066-L2097 HydrophobicContact CD1-CD1 4.34Å; V2093-L2097 HydrophobicContact CG1-CD1 4.02Å; V2093-L2097 HydrophobicContact CG1-CG 4.24Å; V2093-L2097 PolarHBondContact O-N 3.4Å; V2093-L2097 VanDerWaalsContact O-N 3.09Å; G2094-L2097 PolarHBondContact O-N 3.45Å; G2094-L2097 VanDerWaalsContact O-N 3.13Å; L2097-I2099 PolarHBondContact O-N 2.87Å; L2097-F2100 WeakPolarHBondContact O-CB 3.33Å; L2097-F2100 PolarHBondContact O-N 3.48Å; L2097-F2101 HydrophobicContact CB-CE2 4.3Å; L2097-F2101 WeakPolarHBondContact O-CD2 3.24Å; L2097-F2101 WeakPolarHBondContact O-CG 3.36Å; L2097-F2101 PolarHBondContact O-N 3.26Å |
| 2098 | I | 66.5 | Low | 57.6 | Low | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.046 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.7 | -64.7 | 162.1 | 0 | 0 | 0 | 110.7 | P2067 L2070 G2094 F2100 F2101 I2102 L2121 | P2067-I2098 HydrophobicContact CG-CD1 3.86Å; L2070-I2098 HydrophobicContact CD1-CG1 4.46Å; G2094-I2098 WeakPolarHBondContact O-CG1 3.48Å; G2094-I2098 PolarHBondContact O-N 3.3Å; I2098-F2100 VanDerWaalsContact C-N 3.35Å; I2098-F2100 PolarHBondContact O-N 3.42Å; I2098-F2101 PolarHBondContact O-N 3.28Å; I2098-I2102 HydrophobicContact CG2-CD1 3.85Å; I2098-I2102 HydrophobicContact CG2-CG1 4.45Å; I2098-I2102 WeakPolarHBondContact O-CG1 3.29Å; I2098-I2102 PolarHBondContact O-N 3.19Å; I2098-L2121 HydrophobicContact CG2-CD1 4.09Å |
| 2099 | I | 67.8 | Low | 59.4 | Low | 29 Ų | 29 | 48.7 Ų | 48.7 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 175.3 | -70 | 169.3 | 0 | 0 | 0 | 111.4 | G2095 L2097 I2102 L2103 A2132 | G2095-I2099 WeakPolarHBondContact O-CD1 3.29Å; G2095-I2099 VanDerWaalsContact O-CG1 3.32Å; G2095-I2099 WeakPolarHBondContact O-CG1 3.41Å; G2095-I2099 PolarHBondContact O-N 2.95Å; L2097-I2099 PolarHBondContact O-N 2.87Å; I2099-I2102 PolarHBondContact O-N 2.8Å; I2099-L2103 HydrophobicContact CG2-CD1 3.81Å; I2099-L2103 HydrophobicContact CG2-CG 4.35Å; I2099-L2103 WeakPolarHBondContact O-CB 3.49Å; I2099-L2103 VanDerWaalsContact O-CG 3.3Å; I2099-L2103 WeakPolarHBondContact O-CG 3.29Å; I2099-L2103 PolarHBondContact O-N 2.68Å; I2099-A2132 HydrophobicContact CD1-CB 3.54Å |
| 2100 | F | 72.9 | Confident | 60.9 | Low | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 173 | 177.2 | -87.9 | 0 | 0 | 0 | 111.7 | L1963 I1970 I2037 L2041 R2096 L2097 I2098 L2103 Y2104 | L1963-F2100 HydrophobicContact CD2-CD2 3.48Å; L1963-F2100 VanDerWaalsContact CD2-CD2 3.48Å; L1963-F2100 HydrophobicContact CD2-CE2 3.61Å; L1963-F2100 HydrophobicContact CD2-CG 4.16Å; L1963-F2100 HydrophobicContact CD2-CZ 4.36Å; I1970-F2100 HydrophobicContact CD1-CB 4.13Å; I1970-F2100 HydrophobicContact CD1-CD2 4.32Å; I1970-F2100 HydrophobicContact CD1-CG 4.28Å; I2037-F2100 HydrophobicContact CG2-CE1 4.49Å; I2037-F2100 HydrophobicContact CG2-CE2 4.48Å; I2037-F2100 HydrophobicContact CG2-CZ 3.77Å; L2041-F2100 HydrophobicContact CD1-CD1 3.89Å; L2041-F2100 HydrophobicContact CD1-CE1 3.46Å; L2041-F2100 VanDerWaalsContact CD1-CE1 3.46Å; L2041-F2100 HydrophobicContact CD1-CZ 3.97Å; R2096-F2100 WeakPolarHBondContact O-CB 3.42Å; R2096-F2100 PolarHBondContact O-N 2.84Å; L2097-F2100 WeakPolarHBondContact O-CB 3.33Å; L2097-F2100 PolarHBondContact O-N 3.48Å; I2098-F2100 VanDerWaalsContact C-N 3.35Å; I2098-F2100 PolarHBondContact O-N 3.42Å; F2100-L2103 PolarHBondContact O-N 3.06Å; F2100-Y2104 VanDerWaalsContact O-CB 3.26Å; F2100-Y2104 WeakPolarHBondContact O-CB 3.35Å; F2100-Y2104 PolarHBondContact O-N 2.9Å |
| 2101 | F | 72.2 | Confident | 61.8 | Low | 25 Ų | 25 | 44.7 Ų | 44.7 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -42.1 | 178.2 | -68.3 | -52.8 | 0 | 0 | 0 | 112.9 | Y2038 L2041 I2042 L2070 L2097 I2098 Y2104 M2105 | Y2038-F2101 AromaticContact CD2-CD1 3.76Å; Y2038-F2101 HydrophobicContact CD2-CD1 3.76Å; Y2038-F2101 AromaticContact CD2-CE1 3.81Å; Y2038-F2101 HydrophobicContact CD2-CE1 3.81Å; Y2038-F2101 AromaticContact CE2-CD1 3.66Å; Y2038-F2101 HydrophobicContact CE2-CD1 3.66Å; Y2038-F2101 AromaticContact CE2-CE1 3.9Å; Y2038-F2101 HydrophobicContact CE2-CE1 3.9Å; L2041-F2101 HydrophobicContact CB-CZ 4.49Å; I2042-F2101 HydrophobicContact CG1-CE1 4.32Å; I2042-F2101 HydrophobicContact CG1-CZ 4.5Å; L2070-F2101 HydrophobicContact CD2-CD2 4.07Å; L2070-F2101 HydrophobicContact CD2-CE2 3.95Å; L2097-F2101 HydrophobicContact CB-CE2 4.3Å; L2097-F2101 WeakPolarHBondContact O-CD2 3.24Å; L2097-F2101 WeakPolarHBondContact O-CG 3.36Å; L2097-F2101 PolarHBondContact O-N 3.26Å; I2098-F2101 PolarHBondContact O-N 3.28Å; F2101-Y2104 PolarHBondContact O-N 3.24Å; F2101-M2105 WeakPolarHBondContact O-CB 3.43Å; F2101-M2105 WeakPolarHBondContact O-CG 3.34Å; F2101-M2105 PolarHBondContact O-N 3.41Å |
| 2102 | I | 71.2 | Confident | 62.6 | Low | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 175.3 | -69.1 | 169.8 | 0 | 0 | 0 | 110.8 | I2098 I2099 M2105 I2106 A2114 F2118 | I2098-I2102 HydrophobicContact CG2-CD1 3.85Å; I2098-I2102 HydrophobicContact CG2-CG1 4.45Å; I2098-I2102 WeakPolarHBondContact O-CG1 3.29Å; I2098-I2102 PolarHBondContact O-N 3.19Å; I2099-I2102 PolarHBondContact O-N 2.8Å; I2102-M2105 PolarHBondContact O-N 2.83Å; I2102-I2106 HydrophobicContact CG2-CD1 4.08Å; I2102-I2106 WeakPolarHBondContact O-CG1 3.31Å; I2102-I2106 PolarHBondContact O-N 3.07Å; I2102-A2114 HydrophobicContact CG2-CB 4.3Å; I2102-F2118 HydrophobicContact CD1-CB 4.46Å |
| 2103 | L | 68.5 | Low | 63.1 | Low | 35 Ų | 35 | 46.5 Ų | 46.5 | 18% | 0.183 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | 177.9 | -71.1 | 172.1 | 0 | 0 | 0 | 112.1 | L1959 L1963 I2099 F2100 I2106 I2107 | L1959-L2103 HydrophobicContact CD2-CD2 4.35Å; L1963-L2103 HydrophobicContact CD1-CB 3.95Å; L1963-L2103 HydrophobicContact CD2-CB 3.82Å; L1963-L2103 HydrophobicContact CG-CB 3.92Å; I2099-L2103 HydrophobicContact CG2-CD1 3.81Å; I2099-L2103 HydrophobicContact CG2-CG 4.35Å; I2099-L2103 WeakPolarHBondContact O-CB 3.49Å; I2099-L2103 VanDerWaalsContact O-CG 3.3Å; I2099-L2103 WeakPolarHBondContact O-CG 3.29Å; I2099-L2103 PolarHBondContact O-N 2.68Å; F2100-L2103 PolarHBondContact O-N 3.06Å; L2103-I2106 WeakPolarHBondContact O-CB 3.3Å; L2103-I2106 PolarHBondContact O-N 3.46Å; L2103-I2107 PolarHBondContact O-N 3.3Å |
| 2104 | Y | 74.4 | Confident | 63.6 | Low | 12 Ų | 12 | 43.5 Ų | 43.5 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 174 | 170.5 | -93.3 | 0 | 0 | 0 | 111.4 | L2034 D2035 Y2038 F2100 F2101 I2106 I2107 K2108 | L2034-Y2104 HydrophobicContact CB-CD2 4.17Å; L2034-Y2104 HydrophobicContact CB-CE2 4.12Å; D2035-Y2104 PolarHBondContact OD1-OH 3.45Å; Y2038-Y2104 AromaticContact CD1-CE1 3.65Å; Y2038-Y2104 HydrophobicContact CD1-CE1 3.65Å; Y2038-Y2104 AromaticContact CD1-CZ 3.64Å; Y2038-Y2104 WeakPolarHBondContact CD1-OH 3.27Å; Y2038-Y2104 AromaticContact CD2-CD1 3.33Å; Y2038-Y2104 HydrophobicContact CD2-CD1 3.33Å; Y2038-Y2104 HydrophobicContact CD2-CD2 4.38Å; Y2038-Y2104 AromaticContact CD2-CE1 3.23Å; Y2038-Y2104 HydrophobicContact CD2-CE1 3.23Å; Y2038-Y2104 HydrophobicContact CD2-CE2 4.31Å; Y2038-Y2104 AromaticContact CD2-CG 3.92Å; Y2038-Y2104 HydrophobicContact CD2-CG 3.92Å; Y2038-Y2104 AromaticContact CD2-CZ 3.75Å; Y2038-Y2104 AromaticContact CE1-CE1 3.8Å; Y2038-Y2104 HydrophobicContact CE1-CE1 3.8Å; Y2038-Y2104 AromaticContact CE2-CD1 3.51Å; Y2038-Y2104 HydrophobicContact CE2-CD1 3.51Å; Y2038-Y2104 AromaticContact CE2-CE1 3.4Å; Y2038-Y2104 HydrophobicContact CE2-CE1 3.4Å; Y2038-Y2104 VanDerWaalsContact CE2-CE1 3.4Å; Y2038-Y2104 HydrophobicContact CE2-CG 4.47Å; Y2038-Y2104 AromaticContact CG-CD1 3.9Å; Y2038-Y2104 HydrophobicContact CG-CD1 3.9Å; Y2038-Y2104 HydrophobicContact CG-CD2 4.44Å; Y2038-Y2104 AromaticContact CG-CE1 3.35Å; Y2038-Y2104 HydrophobicContact CG-CE1 3.35Å; Y2038-Y2104 AromaticContact CG-CE2 3.97Å; Y2038-Y2104 HydrophobicContact CG-CE2 3.97Å; Y2038-Y2104 HydrophobicContact CG-CG 4.4Å; Y2038-Y2104 AromaticContact CG-CZ 3.37Å; Y2038-Y2104 AromaticContact CZ-CE1 3.67Å; F2100-Y2104 VanDerWaalsContact O-CB 3.26Å; F2100-Y2104 WeakPolarHBondContact O-CB 3.35Å; F2100-Y2104 PolarHBondContact O-N 2.9Å; F2101-Y2104 PolarHBondContact O-N 3.24Å; Y2104-I2106 VanDerWaalsContact C-N 3.31Å; Y2104-I2106 PolarHBondContact O-N 3.14Å; Y2104-I2107 CarbonylContact O-C 3.6Å; Y2104-I2107 PolarHBondContact O-N 3.19Å; Y2104-I2107 VanDerWaalsContact O-N 3.11Å; Y2104-K2108 HydrophobicContact CD1-CG 4.28Å; Y2104-K2108 HydrophobicContact CE1-CG 3.76Å; Y2104-K2108 HydrophobicContact CE2-CG 4.14Å; Y2104-K2108 PolarHBondContact O-N 3.39Å; Y2104-K2108 WeakPolarHBondContact OH-CE 3.37Å |
| 2105 | M | 66.6 | Low | 63.7 | Low | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.059 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.8 | -38.3 | 173.7 | -78.4 | 179.8 | 169.1 | 0 | 0 | 112 | F2101 I2102 K2108 Q2109 Q2110 E2113 A2114 Y2117 | F2101-M2105 WeakPolarHBondContact O-CB 3.43Å; F2101-M2105 WeakPolarHBondContact O-CG 3.34Å; F2101-M2105 PolarHBondContact O-N 3.41Å; I2102-M2105 PolarHBondContact O-N 2.83Å; M2105-K2108 CarbonylContact O-C 3.42Å; M2105-K2108 PolarHBondContact O-N 3.33Å; M2105-Q2109 PolarHBondContact O-N 2.92Å; M2105-Q2110 HydrophobicContact CB-CB 3.87Å; M2105-Q2110 HydrophobicContact CG-CB 4.07Å; M2105-Q2110 PolarHBondContact O-N 3.46Å; M2105-E2113 HydrophobicContact CE-CB 4.23Å; M2105-E2113 HydrophobicContact SD-CB 3.74Å; M2105-A2114 HydrophobicContact CB-CB 3.98Å; M2105-Y2117 HydrophobicContact CE-CD2 4.43Å; M2105-Y2117 HydrophobicContact CE-CE2 3.89Å; M2105-Y2117 HydrophobicContact SD-CD2 3.9Å; M2105-Y2117 HydrophobicContact SD-CE2 3.96Å |
| 2106 | I | 63.3 | Low | 63.7 | Low | 48 Ų | 48 | 50 Ų | 50 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 172.7 | -69.8 | 164.5 | 0 | 0 | 0 | 111.4 | I2102 L2103 Y2104 K2108 Q2109 Y2111 A2114 W2182 | I2102-I2106 HydrophobicContact CG2-CD1 4.08Å; I2102-I2106 WeakPolarHBondContact O-CG1 3.31Å; I2102-I2106 PolarHBondContact O-N 3.07Å; L2103-I2106 WeakPolarHBondContact O-CB 3.3Å; L2103-I2106 PolarHBondContact O-N 3.46Å; Y2104-I2106 VanDerWaalsContact C-N 3.31Å; Y2104-I2106 PolarHBondContact O-N 3.14Å; I2106-K2108 VanDerWaalsContact C-N 3.35Å; I2106-Q2109 PolarHBondContact O-N 3.19Å; I2106-Y2111 WeakPolarHBondContact O-CE1 3.47Å; I2106-A2114 HydrophobicContact CD1-CB 4.47Å; I2106-A2114 HydrophobicContact CG1-CB 3.84Å; I2106-W2182 HydrophobicContact CG2-CH2 4.23Å |
| 2107 | I | 66 | Low | 63.5 | Low | 34 Ų | 34 | 46.4 Ų | 46.4 | 17% | 0.174 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.8 | -36.8 | 173 | -70.8 | -152.5 | 0 | 0 | 0 | 112.2 | L1959 I1960 L1963 V2031 L2034 L2103 Y2104 Q2109 | L1959-I2107 HydrophobicContact CD2-CD1 3.84Å; L1959-I2107 HydrophobicContact CD2-CG1 3.63Å; I1960-I2107 HydrophobicContact CB-CD1 4.34Å; I1960-I2107 HydrophobicContact CG1-CD1 3.47Å; I1960-I2107 VanDerWaalsContact CG1-CD1 3.47Å; L1963-I2107 HydrophobicContact CD1-CB 4.42Å; L1963-I2107 HydrophobicContact CD1-CD1 3.42Å; L1963-I2107 VanDerWaalsContact CD1-CD1 3.42Å; L1963-I2107 HydrophobicContact CD1-CG1 3.68Å; V2031-I2107 HydrophobicContact CG2-CG2 4.31Å; L2034-I2107 HydrophobicContact CD1-CD1 4.08Å; L2034-I2107 HydrophobicContact CD1-CG2 4.17Å; L2103-I2107 PolarHBondContact O-N 3.3Å; Y2104-I2107 CarbonylContact O-C 3.6Å; Y2104-I2107 PolarHBondContact O-N 3.19Å; Y2104-I2107 VanDerWaalsContact O-N 3.11Å; I2107-Q2109 PolarHBondContact O-N 3.02Å |
| 2108 | K | 68.2 | Low | 63.4 | Low | 65 Ų | 65 | 49.6 Ų | 49.6 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -1.8 | 173.9 | -77.4 | -64.3 | -170.4 | -174.5 | 0 | 114.9 | D2035 Y2104 M2105 I2106 Q2110 | D2035-K2108 WeakPolarHBondContact OD1-CE 3.33Å; D2035-K2108 IonicContact OD1-NZ 2.71Å; D2035-K2108 PolarHBondContact OD1-NZ 2.84Å; D2035-K2108 IonicContact OD2-NZ 2.75Å; D2035-K2108 PolarHBondContact OD2-NZ 2.89Å; Y2104-K2108 HydrophobicContact CD1-CG 4.28Å; Y2104-K2108 HydrophobicContact CE1-CG 3.76Å; Y2104-K2108 HydrophobicContact CE2-CG 4.14Å; Y2104-K2108 PolarHBondContact O-N 3.39Å; Y2104-K2108 WeakPolarHBondContact OH-CE 3.37Å; M2105-K2108 CarbonylContact O-C 3.42Å; M2105-K2108 PolarHBondContact O-N 3.33Å; I2106-K2108 VanDerWaalsContact C-N 3.35Å; K2108-Q2110 HydrophobicContact CB-CG 4.02Å; K2108-Q2110 VanDerWaalsContact CB-OE1 3.22Å; K2108-Q2110 PolarHBondContact O-N 2.95Å |
| 2109 | Q | 68.2 | Low | 62.8 | Low | 126 Ų | 126 | 53.2 Ų | 53.2 | 59% | 0.589 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 18.3 | -177.2 | -43.3 | -174.2 | 46.6 | 0 | 0 | 113.8 | M2105 I2106 I2107 Y2111 | M2105-Q2109 PolarHBondContact O-N 2.92Å; I2106-Q2109 PolarHBondContact O-N 3.19Å; I2107-Q2109 PolarHBondContact O-N 3.02Å; Q2109-Y2111 HydrophobicContact CB-CE1 4.14Å; Q2109-Y2111 HydrophobicContact CB-CE2 3.86Å; Q2109-Y2111 WeakPolarHBondContact CG-OH 3.42Å; Q2109-Y2111 WeakPolarHBondContact O-CD2 3.39Å; Q2109-Y2111 PolarHBondContact O-N 3.33Å |
| 2110 | Q | 62.9 | Low | 61.9 | Low | 59 Ų | 59 | 55.5 Ų | 55.5 | 28% | 0.276 | 27% | 0.268 | S | S | . | . | trans | -79.5 | 54.5 | 175.2 | -71.4 | 177.6 | -91.4 | 0 | 0 | 110.8 | M2105 K2108 A2112 E2113 A2114 | M2105-Q2110 HydrophobicContact CB-CB 3.87Å; M2105-Q2110 HydrophobicContact CG-CB 4.07Å; M2105-Q2110 PolarHBondContact O-N 3.46Å; K2108-Q2110 HydrophobicContact CB-CG 4.02Å; K2108-Q2110 VanDerWaalsContact CB-OE1 3.22Å; K2108-Q2110 PolarHBondContact O-N 2.95Å; Q2110-A2112 PolarHBondContact O-N 3.28Å; Q2110-E2113 WeakPolarHBondContact CB-OE2 3.5Å; Q2110-E2113 WeakPolarHBondContact CG-OE2 3.39Å; Q2110-E2113 PolarHBondContact NE2-OE2 2.89Å; Q2110-E2113 PolarHBondContact O-N 3.47Å; Q2110-A2114 WeakPolarHBondContact O-CB 3.47Å; Q2110-A2114 PolarHBondContact O-N 3.17Å | ||
| 2111 | Y | 51.9 | Low | 61.1 | Low | 78 Ų | 78 | 56.8 Ų | 56.8 | 31% | 0.306 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.6 | -33.7 | -167.7 | -51.5 | -49.5 | 0 | 0 | 0 | 113.7 | I2106 Q2109 T2115 W2182 | I2106-Y2111 WeakPolarHBondContact O-CE1 3.47Å; Q2109-Y2111 HydrophobicContact CB-CE1 4.14Å; Q2109-Y2111 HydrophobicContact CB-CE2 3.86Å; Q2109-Y2111 WeakPolarHBondContact CG-OH 3.42Å; Q2109-Y2111 WeakPolarHBondContact O-CD2 3.39Å; Q2109-Y2111 PolarHBondContact O-N 3.33Å; Y2111-T2115 VanDerWaalsContact O-CB 3.28Å; Y2111-T2115 WeakPolarHBondContact O-CB 3.42Å; Y2111-T2115 PolarHBondContact O-N 2.99Å; Y2111-T2115 PolarHBondContact O-OG1 3.34Å; Y2111-W2182 AromaticContact CD1-CH2 3.23Å; Y2111-W2182 HydrophobicContact CD1-CH2 3.23Å; Y2111-W2182 AromaticContact CD1-CZ2 3.56Å; Y2111-W2182 HydrophobicContact CD1-CZ2 3.56Å; Y2111-W2182 HydrophobicContact CD1-CZ3 4.07Å; Y2111-W2182 AromaticContact CE1-CH2 3.36Å; Y2111-W2182 HydrophobicContact CE1-CH2 3.36Å; Y2111-W2182 AromaticContact CE1-CZ2 3.15Å; Y2111-W2182 HydrophobicContact CE1-CZ2 3.15Å; Y2111-W2182 HydrophobicContact CE1-CZ3 4.49Å; Y2111-W2182 HydrophobicContact CE2-CZ2 4.29Å; Y2111-W2182 AromaticContact CG-CH2 3.94Å; Y2111-W2182 HydrophobicContact CG-CH2 3.94Å; Y2111-W2182 HydrophobicContact CG-CZ2 4.25Å; Y2111-W2182 HydrophobicContact CG-CZ3 4.4Å; Y2111-W2182 AromaticContact CZ-CZ2 3.56Å |
| 2112 | A | 49.6 | Very low | 59.9 | Low | 85 Ų | 85 | 60.8 Ų | 60.8 | 70% | 0.702 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.4 | -43.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q2110 T2115 Y2116 | Q2110-A2112 PolarHBondContact O-N 3.28Å; A2112-T2115 PolarHBondContact O-N 2.8Å; A2112-Y2116 PolarHBondContact O-N 3.1Å |
| 2113 | E | 54.2 | Low | 58.4 | Low | 89 Ų | 89 | 68.6 Ų | 68.6 | 42% | 0.416 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68 | -50.6 | 177.5 | -64.5 | 168 | 118 | 0 | 0 | 109.8 | M2105 Q2110 T2115 Y2116 Y2117 | M2105-E2113 HydrophobicContact CE-CB 4.23Å; M2105-E2113 HydrophobicContact SD-CB 3.74Å; Q2110-E2113 WeakPolarHBondContact CB-OE2 3.5Å; Q2110-E2113 WeakPolarHBondContact CG-OE2 3.39Å; Q2110-E2113 PolarHBondContact NE2-OE2 2.89Å; Q2110-E2113 PolarHBondContact O-N 3.47Å; E2113-T2115 PolarHBondContact O-N 3.45Å; E2113-T2115 VanDerWaalsContact O-N 3.17Å; E2113-Y2116 WeakPolarHBondContact O-CA 3.41Å; E2113-Y2116 WeakPolarHBondContact O-CB 3.46Å; E2113-Y2116 PolarHBondContact O-N 2.72Å; E2113-Y2117 HydrophobicContact CB-CE2 4.48Å; E2113-Y2117 WeakPolarHBondContact O-CD2 3.1Å; E2113-Y2117 PolarHBondContact O-N 3.25Å |
| 2114 | A | 61.1 | Low | 57.1 | Low | 5 Ų | 5 | 72.3 Ų | 72.3 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -52 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I2102 M2105 I2106 Q2110 F2118 | I2102-A2114 HydrophobicContact CG2-CB 4.3Å; M2105-A2114 HydrophobicContact CB-CB 3.98Å; I2106-A2114 HydrophobicContact CD1-CB 4.47Å; I2106-A2114 HydrophobicContact CG1-CB 3.84Å; Q2110-A2114 WeakPolarHBondContact O-CB 3.47Å; Q2110-A2114 PolarHBondContact O-N 3.17Å; A2114-F2118 VanDerWaalsContact O-CB 3.27Å; A2114-F2118 WeakPolarHBondContact O-CB 3.42Å; A2114-F2118 PolarHBondContact O-N 3.41Å |
| 2115 | T | 54 | Low | 55.4 | Low | 50 Ų | 50 | 73.5 Ų | 73.5 | 31% | 0.307 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 112 | Y2111 A2112 E2113 F2118 I2119 | Y2111-T2115 VanDerWaalsContact O-CB 3.28Å; Y2111-T2115 WeakPolarHBondContact O-CB 3.42Å; Y2111-T2115 PolarHBondContact O-N 2.99Å; Y2111-T2115 PolarHBondContact O-OG1 3.34Å; A2112-T2115 PolarHBondContact O-N 2.8Å; E2113-T2115 PolarHBondContact O-N 3.45Å; E2113-T2115 VanDerWaalsContact O-N 3.17Å; T2115-F2118 PolarHBondContact O-N 2.98Å; T2115-I2119 HydrophobicContact CG2-CD1 3.77Å; T2115-I2119 HydrophobicContact CG2-CG1 4.34Å; T2115-I2119 WeakPolarHBondContact O-CB 3.18Å; T2115-I2119 VanDerWaalsContact O-CG1 3.31Å; T2115-I2119 WeakPolarHBondContact O-CG1 3.47Å; T2115-I2119 PolarHBondContact O-N 2.93Å |
| 2116 | Y | 56.7 | Low | 53.9 | Low | 117 Ų | 117 | 78.2 Ų | 78.2 | 46% | 0.459 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 175.4 | 179.8 | -93.1 | 0 | 0 | 0 | 112.6 | A2112 E2113 F2118 I2119 R2120 | A2112-Y2116 PolarHBondContact O-N 3.1Å; E2113-Y2116 WeakPolarHBondContact O-CA 3.41Å; E2113-Y2116 WeakPolarHBondContact O-CB 3.46Å; E2113-Y2116 PolarHBondContact O-N 2.72Å; Y2116-F2118 VanDerWaalsContact C-N 3.28Å; Y2116-F2118 PolarHBondContact O-N 2.69Å; Y2116-I2119 PolarHBondContact O-N 2.74Å; Y2116-R2120 PolarHBondContact O-N 2.86Å; Y2116-R2120 VanDerWaalsContact OH-CZ 3.3Å; Y2116-R2120 PolarHBondContact OH-NE 2.78Å; Y2116-R2120 PolarHBondContact OH-NH2 2.99Å |
| 2117 | Y | 55.5 | Low | 52.5 | Low | 66 Ų | 66 | 82.1 Ų | 82.1 | 26% | 0.259 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 175.3 | -77.9 | -84.2 | 0 | 0 | 0 | 111.4 | W2069 L2070 M2105 E2113 L2121 | W2069-Y2117 HydrophobicContact CE3-CE1 4.25Å; W2069-Y2117 AromaticContact CH2-CD1 3.61Å; W2069-Y2117 HydrophobicContact CH2-CD1 3.61Å; W2069-Y2117 HydrophobicContact CH2-CE1 4.09Å; W2069-Y2117 AromaticContact CZ3-CD1 3.38Å; W2069-Y2117 HydrophobicContact CZ3-CD1 3.38Å; W2069-Y2117 AromaticContact CZ3-CE1 3.39Å; W2069-Y2117 HydrophobicContact CZ3-CE1 3.39Å; W2069-Y2117 HydrophobicContact CZ3-CG 4.46Å; L2070-Y2117 HydrophobicContact CD1-CD1 4.15Å; L2070-Y2117 HydrophobicContact CD1-CE1 3.69Å; M2105-Y2117 HydrophobicContact CE-CD2 4.43Å; M2105-Y2117 HydrophobicContact CE-CE2 3.89Å; M2105-Y2117 HydrophobicContact SD-CD2 3.9Å; M2105-Y2117 HydrophobicContact SD-CE2 3.96Å; E2113-Y2117 HydrophobicContact CB-CE2 4.48Å; E2113-Y2117 WeakPolarHBondContact O-CD2 3.1Å; E2113-Y2117 PolarHBondContact O-N 3.25Å; Y2117-L2121 PolarHBondContact O-N 3.36Å |
| 2118 | F | 60.6 | Low | 51.1 | Low | 83 Ų | 83 | 83.8 Ų | 83.8 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.7 | -41.1 | 177.7 | -166.4 | -102.8 | 0 | 0 | 0 | 113.3 | I2102 A2114 T2115 Y2116 L2121 L2122 | I2102-F2118 HydrophobicContact CD1-CB 4.46Å; A2114-F2118 VanDerWaalsContact O-CB 3.27Å; A2114-F2118 WeakPolarHBondContact O-CB 3.42Å; A2114-F2118 PolarHBondContact O-N 3.41Å; T2115-F2118 PolarHBondContact O-N 2.98Å; Y2116-F2118 VanDerWaalsContact C-N 3.28Å; Y2116-F2118 PolarHBondContact O-N 2.69Å; F2118-L2121 WeakPolarHBondContact O-CB 3.36Å; F2118-L2121 PolarHBondContact O-N 2.88Å; F2118-L2122 HydrophobicContact CD1-CD1 3.93Å; F2118-L2122 HydrophobicContact CE1-CD1 3.76Å; F2118-L2122 HydrophobicContact CE1-CG 4.4Å; F2118-L2122 PolarHBondContact O-N 2.86Å; F2118-L2122 VanDerWaalsContact O-N 3.15Å |
| 2119 | I | 53.8 | Low | 49.6 | Very low | 86 Ų | 86 | 82.8 Ų | 82.8 | 44% | 0.441 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 176 | -71.2 | 171.2 | 0 | 0 | 0 | 111.1 | T2115 Y2116 L2121 L2122 Y2123 | T2115-I2119 HydrophobicContact CG2-CD1 3.77Å; T2115-I2119 HydrophobicContact CG2-CG1 4.34Å; T2115-I2119 WeakPolarHBondContact O-CB 3.18Å; T2115-I2119 VanDerWaalsContact O-CG1 3.31Å; T2115-I2119 WeakPolarHBondContact O-CG1 3.47Å; T2115-I2119 PolarHBondContact O-N 2.93Å; Y2116-I2119 PolarHBondContact O-N 2.74Å; I2119-L2121 VanDerWaalsContact C-N 3.32Å; I2119-L2121 PolarHBondContact O-N 3.36Å; I2119-L2122 PolarHBondContact O-N 3.46Å; I2119-Y2123 HydrophobicContact CG2-CD2 4.42Å; I2119-Y2123 PolarHBondContact O-N 3.42Å |
| 2120 | R | 49.3 | Very low | 48.2 | Very low | 76 Ų | 76 | 80.8 Ų | 80.8 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 171.2 | -93.1 | -169 | 170.3 | -176.3 | -1.4 | 112.5 | W2069 Y2116 L2122 Y2123 Q2124 | W2069-R2120 HydrophobicContact CH2-CB 3.92Å; W2069-R2120 HydrophobicContact CH2-CG 4.42Å; W2069-R2120 HydrophobicContact CZ2-CB 3.97Å; Y2116-R2120 PolarHBondContact O-N 2.86Å; Y2116-R2120 VanDerWaalsContact OH-CZ 3.3Å; Y2116-R2120 PolarHBondContact OH-NE 2.78Å; Y2116-R2120 PolarHBondContact OH-NH2 2.99Å; R2120-L2122 VanDerWaalsContact C-N 3.27Å; R2120-L2122 PolarHBondContact O-N 3.17Å; R2120-Y2123 PolarHBondContact O-N 2.99Å; R2120-Q2124 PolarHBondContact O-N 3.32Å |
| 2121 | L | 54.1 | Low | 46.8 | Very low | 28 Ų | 28 | 81.2 Ų | 81.2 | 15% | 0.147 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.9 | -35.8 | 177.8 | -160.2 | 87.3 | 0 | 0 | 0 | 112.2 | I2098 Y2117 F2118 I2119 I2125 P2129 | I2098-L2121 HydrophobicContact CG2-CD1 4.09Å; Y2117-L2121 PolarHBondContact O-N 3.36Å; F2118-L2121 WeakPolarHBondContact O-CB 3.36Å; F2118-L2121 PolarHBondContact O-N 2.88Å; I2119-L2121 VanDerWaalsContact C-N 3.32Å; I2119-L2121 PolarHBondContact O-N 3.36Å; L2121-I2125 HydrophobicContact CD1-CD1 3.8Å; L2121-I2125 HydrophobicContact CG-CD1 3.89Å; L2121-I2125 WeakPolarHBondContact O-CG1 3.45Å; L2121-P2129 HydrophobicContact CD2-CG 4.42Å |
| 2122 | L | 47.6 | Very low | 46.2 | Very low | 109 Ų | 109 | 78.1 Ų | 78.1 | 57% | 0.571 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -76.6 | -22 | 179.9 | -70 | 171 | 0 | 0 | 0 | 114.2 | F2118 I2119 R2120 | F2118-L2122 HydrophobicContact CD1-CD1 3.93Å; F2118-L2122 HydrophobicContact CE1-CD1 3.76Å; F2118-L2122 HydrophobicContact CE1-CG 4.4Å; F2118-L2122 PolarHBondContact O-N 2.86Å; F2118-L2122 VanDerWaalsContact O-N 3.15Å; I2119-L2122 PolarHBondContact O-N 3.46Å; R2120-L2122 VanDerWaalsContact C-N 3.27Å; R2120-L2122 PolarHBondContact O-N 3.17Å |
| 2123 | Y | 39 | Very low | 45.5 | Very low | 177 Ų | 177 | 79.1 Ų | 79.1 | 69% | 0.694 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -103 | -7.4 | -175.1 | -101.2 | -79.9 | 0 | 0 | 0 | 115.2 | I2119 R2120 | I2119-Y2123 HydrophobicContact CG2-CD2 4.42Å; I2119-Y2123 PolarHBondContact O-N 3.42Å; R2120-Y2123 PolarHBondContact O-N 2.99Å |
| 2124 | Q | 41.5 | Very low | 44.6 | Very low | 113 Ų | 113 | 83.7 Ų | 83.7 | 53% | 0.528 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -121.9 | 9 | -174.4 | -63.8 | -160.4 | -68.7 | 0 | 0 | 115.2 | R2120 | R2120-Q2124 PolarHBondContact O-N 3.32Š|
| 2125 | I | 39.4 | Very low | 43.2 | Very low | 38 Ų | 38 | 86.6 Ų | 86.6 | 20% | 0.195 | 45% | 0.454 | C | S | . | . | trans | -130.4 | 115.3 | -177.7 | -42.7 | -178.8 | 0 | 0 | 0 | 110 | Y2090 L2121 E2127 | Y2090-I2125 HydrophobicContact CD2-CG1 4.38Å; Y2090-I2125 HydrophobicContact CD2-CG2 3.68Å; Y2090-I2125 HydrophobicContact CE2-CG1 4.42Å; Y2090-I2125 HydrophobicContact CE2-CG2 4.24Å; Y2090-I2125 HydrophobicContact CG-CG2 4.37Å; L2121-I2125 HydrophobicContact CD1-CD1 3.8Å; L2121-I2125 HydrophobicContact CG-CD1 3.89Å; L2121-I2125 WeakPolarHBondContact O-CG1 3.45Å; I2125-E2127 WeakPolarHBondContact CG2-O 3.35Å; I2125-E2127 PolarHBondContact O-N 2.95Å | ||
| 2126 | D | 34.6 | Very low | 42 | Very low | 110 Ų | 110 | 87.8 Ų | 87.8 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -61.7 | -19 | 177.3 | -98.9 | -51.1 | 0 | 0 | 0 | 112.6 | K1247 L2159 | K1247-D2126 IonicContact NZ-OD1 2.78Å; K1247-D2126 PolarHBondContact NZ-OD1 2.81Å; K1247-D2126 IonicContact NZ-OD2 3.21Å; K1247-D2126 PolarHBondContact NZ-OD2 3.31Å; D2126-L2159 HydrophobicContact CB-CD1 4.47Å; D2126-L2159 WeakPolarHBondContact O-CD1 3.5Å |
| 2127 | E | 34.9 | Very low | 40.7 | Very low | 131 Ų | 131 | 87.9 Ų | 87.9 | 61% | 0.612 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -130.6 | 117.9 | 169.6 | -67.9 | -167.4 | 153 | 0 | 0 | 112 | I2125 | I2125-E2127 WeakPolarHBondContact CG2-O 3.35Å; I2125-E2127 PolarHBondContact O-N 2.95Å |
| 2128 | P | 35.6 | Very low | 39.3 | Very low | 68 Ų | 68 | 92.6 Ų | 92.6 | 44% | 0.442 | 50% | 0.495 | S | S | . | . | trans | -64.6 | 148.5 | 173.7 | 27.6 | -34.2 | 0 | 0 | 0 | 111 | V2130 | P2128-V2130 VanDerWaalsContact C-N 3.27Å; P2128-V2130 WeakPolarHBondContact O-CG2 3.22Å; P2128-V2130 PolarHBondContact O-N 3.38Å | ||
| 2129 | P | 38 | Very low | 37.7 | Very low | 45 Ų | 45 | 91.9 Ų | 91.9 | 29% | 0.292 | 50% | 0.499 | S | S | . | . | trans | -76.1 | 69.7 | -172.1 | 31 | -36.9 | 0 | 0 | 0 | 113.3 | L2121 G2131 A2132 L2133 | L2121-P2129 HydrophobicContact CD2-CG 4.42Å; P2129-G2131 PolarHBondContact O-N 3.24Å; P2129-G2131 VanDerWaalsContact O-N 3.13Å; P2129-A2132 HydrophobicContact CB-CB 4.31Å; P2129-A2132 WeakPolarHBondContact O-CB 3.48Å; P2129-A2132 PolarHBondContact O-N 3.14Å; P2129-L2133 PolarHBondContact O-N 3.4Å | ||
| 2130 | V | 37.8 | Very low | 36.2 | Very low | 83 Ų | 83 | 92.7 Ų | 92.7 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -53.7 | -36 | -179.6 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | P2128 A2132 L2133 K2134 | P2128-V2130 VanDerWaalsContact C-N 3.27Å; P2128-V2130 WeakPolarHBondContact O-CG2 3.22Å; P2128-V2130 PolarHBondContact O-N 3.38Å; V2130-A2132 PolarHBondContact O-N 2.97Å; V2130-L2133 PolarHBondContact O-N 3.14Å; V2130-K2134 PolarHBondContact O-N 3.49Å |
| 2131 | G | 33.7 | Very low | 35 | Very low | 68 Ų | 68 | 97.5 Ų | 97.5 | 70% | 0.701 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.3 | -16.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P2129 | P2129-G2131 PolarHBondContact O-N 3.24Å; P2129-G2131 VanDerWaalsContact O-N 3.13Å |
| 2132 | A | 39.4 | Very low | 33.7 | Very low | 14 Ų | 14 | 101.2 Ų | 101.2 | 12% | 0.116 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -90.9 | -33.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I2099 P2129 V2130 | I2099-A2132 HydrophobicContact CD1-CB 3.54Å; P2129-A2132 HydrophobicContact CB-CB 4.31Å; P2129-A2132 WeakPolarHBondContact O-CB 3.48Å; P2129-A2132 PolarHBondContact O-N 3.14Å; V2130-A2132 PolarHBondContact O-N 2.97Å |
| 2133 | L | 35.8 | Very low | 32.6 | Very low | 106 Ų | 106 | 101.2 Ų | 101.2 | 56% | 0.555 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -77.9 | -28.3 | 178.4 | -66.5 | 173.3 | 0 | 0 | 0 | 112.8 | P2129 V2130 G2135 I2136 | P2129-L2133 PolarHBondContact O-N 3.4Å; V2130-L2133 PolarHBondContact O-N 3.14Å; L2133-G2135 PolarHBondContact O-N 3.47Å; L2133-I2136 HydrophobicContact CD2-CD1 4.1Å; L2133-I2136 PolarHBondContact O-N 2.9Å; L2133-I2136 VanDerWaalsContact O-N 3.12Å |
| 2134 | K | 33.9 | Very low | 31.9 | Very low | 185 Ų | 185 | 99 Ų | 99 | 80% | 0.804 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -12 | 178.4 | -113.9 | -177.3 | 178.3 | -179.5 | 0 | 115.8 | V2130 | V2130-K2134 PolarHBondContact O-N 3.49Š|
| 2135 | G | 31.6 | Very low | 31.1 | Very low | 65 Ų | 65 | 98.5 Ų | 98.5 | 67% | 0.67 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 2.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L2133 | L2133-G2135 PolarHBondContact O-N 3.47Š|
| 2136 | I | 30.3 | Very low | 30.4 | Very low | 75 Ų | 75 | 102.9 Ų | 102.9 | 39% | 0.385 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -98.7 | 128.5 | -174.4 | -59.6 | 179.6 | 0 | 0 | 0 | 109.8 | L2133 | L2133-I2136 HydrophobicContact CD2-CD1 4.1Å; L2133-I2136 PolarHBondContact O-N 2.9Å; L2133-I2136 VanDerWaalsContact O-N 3.12Å |
| 2137 | I | 29.3 | Very low | 29.9 | Very low | 119 Ų | 119 | 103.1 Ų | 103.1 | 61% | 0.61 | 63% | 0.629 | S | S | * | * | trans | 71.1 | 90.6 | -173.8 | -57.7 | 156.8 | 0 | 0 | 0 | 113.4 | C2139 | I2137-C2139 HydrophobicContact CG2-CB 4.02Š| ||
| 2138 | N | 25 | Very low | 29.3 | Very low | 166 Ų | 166 | 102.1 Ų | 102.1 | 89% | 0.888 | 64% | 0.637 | S | S | * | * | trans | -115.3 | 70.5 | 149.1 | -161.7 | 2.6 | 0 | 0 | 0 | 107.7 | S2140 | N2138-S2140 PolarHBondContact O-N 3.45Š| ||
| 2139 | C | 26.8 | Very low | 28.8 | Very low | 67 Ų | 67 | 109.2 Ų | 109.2 | 45% | 0.453 | 66% | 0.661 | S | S | . | * | trans | -83.6 | 101.7 | -174.6 | -79.2 | 0 | 0 | 0 | 0 | 110.8 | R1958 I2137 F2141 | R1958-C2139 PolarHBondContact NH1-SG 2.83Å; R1958-C2139 VanDerWaalsContact NH1-SG 3.45Å; I2137-C2139 HydrophobicContact CG2-CB 4.02Å; C2139-F2141 PolarHBondContact O-N 3.19Å | ||
| 2140 | S | 23.2 | Very low | 28 | Very low | 103 Ų | 103 | 110.2 Ų | 110.2 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | trans | -62.3 | 124.9 | 177.8 | 44.8 | 0 | 0 | 0 | 0 | 113.5 | N2138 | N2138-S2140 PolarHBondContact O-N 3.45Š| ||
| 2141 | F | 24 | Very low | 27.4 | Very low | 177 Ų | 177 | 112.3 Ų | 112.3 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | trans | -137.2 | 146.3 | 157.7 | -90.6 | -83.7 | 0 | 0 | 0 | 108.9 | C2139 | C2139-F2141 PolarHBondContact O-N 3.19Š| ||
| 2142 | P | 27.4 | Very low | 27.1 | Very low | 107 Ų | 107 | 117.7 Ų | 117.7 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | trans | -91.4 | 140.5 | -168.2 | 34.3 | -34.5 | 0 | 0 | 0 | 114.7 | ||||
| 2143 | S | 23.5 | Very low | 26.4 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | 39.3 | 100 | 147.7 | 58.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 2144 | S | 24.4 | Very low | 25.9 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 92% | 0.923 | 75% | 0.747 | S | S | * | * | -178.8 | 177.3 | 129.2 | 41.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 2145 | S | 24.3 | Very low | 25.7 | Very low | 102 Ų | 102 | 126 Ų | 126 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | -108.3 | 165.7 | -158.3 | 52.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2146 | T | 24.9 | Very low | 25.5 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | trans | 90.7 | 98.7 | 168.1 | 66.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 2147 | S | 23.6 | Very low | 25.4 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | 19.8 | 110.8 | 143.7 | 57 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2148 | S | 24 | Very low | 25.4 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | -168.5 | 81.4 | 127.8 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 2149 | F | 24.2 | Very low | 25.6 | Very low | 217 Ų | 217 | 119.1 Ų | 119.1 | 95% | 0.952 | 70% | 0.696 | S | S | * | * | trans | -149.2 | 110.5 | 157.6 | -107.1 | -75.8 | 0 | 0 | 0 | 109.7 | ||||
| 2150 | G | 22.1 | Very low | 26.1 | Very low | 65 Ų | 65 | 120.5 Ų | 120.5 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | trans | -93.5 | 149.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2151 | V | 24.6 | Very low | 26.8 | Very low | 128 Ų | 128 | 118.5 Ų | 118.5 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | trans | 53.4 | 83.3 | 159.8 | -163.6 | 0 | 0 | 0 | 0 | 116.4 | R2153 | V2151-R2153 HydrophobicContact CG1-CG 4.44Š| ||
| 2152 | L | 26.3 | Very low | 27.6 | Very low | 180 Ų | 180 | 113.6 Ų | 113.6 | 94% | 0.942 | 67% | 0.665 | S | S | * | * | trans | -114.3 | 103.3 | 136.5 | -82.8 | 171.6 | 0 | 0 | 0 | 107.8 | ||||
| 2153 | R | 26.4 | Very low | 28.4 | Very low | 217 Ų | 217 | 112.9 Ų | 112.9 | 82% | 0.819 | 66% | 0.655 | S | S | * | * | trans | -66.2 | 157.8 | 175.5 | -87.2 | -175.7 | 170.8 | 179.1 | -1.6 | 110.7 | V2151 C2155 | V2151-R2153 HydrophobicContact CG1-CG 4.44Å; R2153-C2155 PolarHBondContact O-N 3.35Å | ||
| 2154 | Q | 25 | Very low | 29.3 | Very low | 164 Ų | 164 | 114 Ų | 114 | 77% | 0.766 | 65% | 0.648 | S | S | * | * | trans | -64.9 | 98.1 | 166 | -69.3 | 169.7 | -33.4 | 0 | 0 | 109.7 | H2156 | Q2154-H2156 VanDerWaalsContact C-N 3.29Å; Q2154-H2156 PolarHBondContact O-N 3.47Å | ||
| 2155 | C | 29.2 | Very low | 30.3 | Very low | 99 Ų | 99 | 109.8 Ų | 109.8 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | trans | -72.4 | 83.9 | 171.2 | -64 | 0 | 0 | 0 | 0 | 110.2 | R2153 A2157 | R2153-C2155 PolarHBondContact O-N 3.35Å; C2155-A2157 PolarHBondContact O-N 3.3Å | ||
| 2156 | H | 26.2 | Very low | 31.2 | Very low | 112 Ų | 112 | 106.6 Ų | 106.6 | 52% | 0.519 | 60% | 0.595 | S | S | . | * | trans | -63.7 | 124.5 | 159.1 | -87.2 | -105.3 | 0 | 0 | 0 | 108.6 | Q2154 T2158 | Q2154-H2156 VanDerWaalsContact C-N 3.29Å; Q2154-H2156 PolarHBondContact O-N 3.47Å; H2156-T2158 PolarHBondContact O-N 3.48Å | ||
| 2157 | A | 28.5 | Very low | 32.4 | Very low | 56 Ų | 56 | 105.4 Ų | 105.4 | 46% | 0.463 | 58% | 0.578 | S | S | . | * | trans | -81.2 | 99.7 | 177 | 0 | 0 | 0 | 0 | 0 | 109.8 | C2155 | C2155-A2157 PolarHBondContact O-N 3.3Š| ||
| 2158 | T | 29.1 | Very low | 33.6 | Very low | 54 Ų | 54 | 103.4 Ų | 103.4 | 33% | 0.331 | 56% | 0.564 | S | S | . | * | trans | -92.7 | 147.1 | 149.9 | 47.8 | 0 | 0 | 0 | 0 | 108.3 | H2156 E2160 N2161 | H2156-T2158 PolarHBondContact O-N 3.48Å; T2158-E2160 PolarHBondContact O-N 3.17Å; T2158-N2161 WeakPolarHBondContact O-CB 3.35Å; T2158-N2161 PolarHBondContact O-N 2.88Å | ||
| 2159 | L | 30.8 | Very low | 34.7 | Very low | 59 Ų | 59 | 101.4 Ų | 101.4 | 31% | 0.309 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -57.5 | -32.2 | -162.8 | -150.9 | 83.2 | 0 | 0 | 0 | 114.9 | K1247 D2126 N2161 S2162 | K1247-L2159 HydrophobicContact CB-CD2 3.81Å; K1247-L2159 HydrophobicContact CD-CD2 3.22Å; K1247-L2159 HydrophobicContact CG-CD2 4.17Å; D2126-L2159 HydrophobicContact CB-CD1 4.47Å; D2126-L2159 WeakPolarHBondContact O-CD1 3.5Å; L2159-N2161 PolarHBondContact O-N 3.11Å; L2159-S2162 WeakPolarHBondContact O-CB 3.33Å; L2159-S2162 PolarHBondContact O-N 3.43Å; L2159-S2162 PolarHBondContact O-OG 2.94Å |
| 2160 | E | 36.2 | Very low | 36.3 | Very low | 95 Ų | 95 | 92.3 Ų | 92.3 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -56.6 | -32.8 | 175.9 | -63.7 | 164.2 | 145.6 | 0 | 0 | 112.6 | I1246 T2158 S2162 | I1246-E2160 WeakPolarHBondContact CD1-OE2 3.5Å; I1246-E2160 HydrophobicContact CG1-CG 4.4Å; I1246-E2160 VanDerWaalsContact CG1-OE1 3.25Å; I1246-E2160 WeakPolarHBondContact CG1-OE1 3.38Å; T2158-E2160 PolarHBondContact O-N 3.17Å; E2160-S2162 VanDerWaalsContact C-N 3.27Å; E2160-S2162 PolarHBondContact O-N 3.07Å |
| 2161 | N | 38.8 | Very low | 38 | Very low | 62 Ų | 62 | 93 Ų | 93 | 33% | 0.332 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -78.9 | -3.4 | -178 | -74.1 | -11 | 0 | 0 | 0 | 113.8 | T2158 L2159 L2163 E2164 I2165 | T2158-N2161 WeakPolarHBondContact O-CB 3.35Å; T2158-N2161 PolarHBondContact O-N 2.88Å; L2159-N2161 PolarHBondContact O-N 3.11Å; N2161-L2163 VanDerWaalsContact C-N 3.29Å; N2161-L2163 PolarHBondContact O-N 3.08Å; N2161-E2164 PolarHBondContact O-N 2.63Å; N2161-I2165 HydrophobicContact CB-CD1 3.87Å; N2161-I2165 HydrophobicContact CB-CG1 4.25Å; N2161-I2165 VanDerWaalsContact O-CB 3.31Å; N2161-I2165 WeakPolarHBondContact O-CB 3.16Å; N2161-I2165 VanDerWaalsContact O-CG1 3.24Å; N2161-I2165 WeakPolarHBondContact O-CG1 3.42Å; N2161-I2165 PolarHBondContact O-N 3.15Å |
| 2162 | S | 39.8 | Very low | 39.5 | Very low | 74 Ų | 74 | 93.3 Ų | 93.3 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -54 | -43.3 | -179.3 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | L2159 E2160 A2166 | L2159-S2162 WeakPolarHBondContact O-CB 3.33Å; L2159-S2162 PolarHBondContact O-N 3.43Å; L2159-S2162 PolarHBondContact O-OG 2.94Å; E2160-S2162 VanDerWaalsContact C-N 3.27Å; E2160-S2162 PolarHBondContact O-N 3.07Å; S2162-A2166 WeakPolarHBondContact O-CB 3.28Å; S2162-A2166 PolarHBondContact O-N 3.33Å |
| 2163 | L | 44 | Very low | 40.8 | Very low | 92 Ų | 92 | 86.9 Ų | 86.9 | 48% | 0.482 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -73.8 | -35.9 | 179 | -160.3 | 73.9 | 0 | 0 | 0 | 112.9 | N2161 K2167 F2197 | N2161-L2163 VanDerWaalsContact C-N 3.29Å; N2161-L2163 PolarHBondContact O-N 3.08Å; L2163-K2167 WeakPolarHBondContact O-CB 3.45Å; L2163-K2167 VanDerWaalsContact O-CG 3.25Å; L2163-K2167 WeakPolarHBondContact O-CG 3.49Å; L2163-K2167 PolarHBondContact O-N 3.17Å; L2163-F2197 HydrophobicContact CD1-CD1 3.78Å; L2163-F2197 HydrophobicContact CD1-CE1 3.96Å; L2163-F2197 HydrophobicContact CG-CD1 4.41Å |
| 2164 | E | 43.7 | Very low | 42.4 | Very low | 131 Ų | 131 | 76.9 Ų | 76.9 | 61% | 0.612 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -72 | -37.1 | 174.6 | -74.1 | -132.6 | 127.7 | 0 | 0 | 112.2 | N2161 A2166 K2167 S2168 | N2161-E2164 PolarHBondContact O-N 2.63Å; E2164-A2166 VanDerWaalsContact C-N 3.34Å; E2164-K2167 PolarHBondContact O-N 3.25Å; E2164-S2168 VanDerWaalsContact O-CB 3.26Å; E2164-S2168 WeakPolarHBondContact O-CB 3.41Å; E2164-S2168 PolarHBondContact O-N 2.84Å; E2164-S2168 PolarHBondContact O-OG 3.11Å |
| 2165 | I | 44.2 | Very low | 44.5 | Very low | 44 Ų | 44 | 75.8 Ų | 75.8 | 23% | 0.226 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 173.3 | -69.1 | 166.5 | 0 | 0 | 0 | 109.5 | N2161 S2168 T2169 | N2161-I2165 HydrophobicContact CB-CD1 3.87Å; N2161-I2165 HydrophobicContact CB-CG1 4.25Å; N2161-I2165 VanDerWaalsContact O-CB 3.31Å; N2161-I2165 WeakPolarHBondContact O-CB 3.16Å; N2161-I2165 VanDerWaalsContact O-CG1 3.24Å; N2161-I2165 WeakPolarHBondContact O-CG1 3.42Å; N2161-I2165 PolarHBondContact O-N 3.15Å; I2165-S2168 WeakPolarHBondContact CA-OG 3.21Å; I2165-S2168 PolarHBondContact O-N 3.21Å; I2165-S2168 PolarHBondContact O-OG 3.2Å; I2165-T2169 HydrophobicContact CG2-CG2 4.31Å; I2165-T2169 VanDerWaalsContact O-CB 3.31Å; I2165-T2169 WeakPolarHBondContact O-CB 3.47Å; I2165-T2169 VanDerWaalsContact O-CG2 3.3Å; I2165-T2169 WeakPolarHBondContact O-CG2 3.26Å; I2165-T2169 PolarHBondContact O-N 3.09Å; I2165-T2169 PolarHBondContact O-OG1 3.44Å |
| 2166 | A | 44.5 | Very low | 45.5 | Very low | 35 Ų | 35 | 73 Ų | 73 | 29% | 0.289 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S2162 E2164 S2168 T2169 L2170 F2197 | S2162-A2166 WeakPolarHBondContact O-CB 3.28Å; S2162-A2166 PolarHBondContact O-N 3.33Å; E2164-A2166 VanDerWaalsContact C-N 3.34Å; A2166-S2168 PolarHBondContact O-N 3.32Å; A2166-T2169 PolarHBondContact O-OG1 3.31Å; A2166-L2170 WeakPolarHBondContact O-CB 3.45Å; A2166-L2170 PolarHBondContact O-N 2.95Å; A2166-F2197 HydrophobicContact CB-CE1 3.88Å; A2166-F2197 HydrophobicContact CB-CZ 3.92Å |
| 2167 | K | 48.3 | Very low | 46.9 | Very low | 105 Ų | 105 | 68.4 Ų | 68.4 | 46% | 0.457 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.6 | -29.6 | 177.7 | -75.3 | 169.9 | 179.4 | 174.8 | 0 | 114 | L2163 E2164 P2171 F2197 | L2163-K2167 WeakPolarHBondContact O-CB 3.45Å; L2163-K2167 VanDerWaalsContact O-CG 3.25Å; L2163-K2167 WeakPolarHBondContact O-CG 3.49Å; L2163-K2167 PolarHBondContact O-N 3.17Å; E2164-K2167 PolarHBondContact O-N 3.25Å; K2167-P2171 WeakPolarHBondContact O-CD 3.16Å; K2167-F2197 HydrophobicContact CG-CD1 4.12Å; K2167-F2197 HydrophobicContact CG-CE1 4.22Å; K2167-F2197 HydrophobicContact CG-CG 4.31Å |
| 2168 | S | 48.9 | Very low | 48.2 | Very low | 72 Ų | 72 | 70.5 Ų | 70.5 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -90.4 | -28.3 | 179.7 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | E2164 I2165 A2166 P2171 | E2164-S2168 VanDerWaalsContact O-CB 3.26Å; E2164-S2168 WeakPolarHBondContact O-CB 3.41Å; E2164-S2168 PolarHBondContact O-N 2.84Å; E2164-S2168 PolarHBondContact O-OG 3.11Å; I2165-S2168 WeakPolarHBondContact CA-OG 3.21Å; I2165-S2168 PolarHBondContact O-N 3.21Å; I2165-S2168 PolarHBondContact O-OG 3.2Å; A2166-S2168 PolarHBondContact O-N 3.32Å; S2168-P2171 WeakPolarHBondContact O-CD 3.24Å |
| 2169 | T | 48 | Very low | 49 | Very low | 69 Ų | 69 | 73.9 Ų | 73.9 | 42% | 0.423 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -77.4 | -23.7 | 168.6 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | I2165 A2166 W2172 L2173 | I2165-T2169 HydrophobicContact CG2-CG2 4.31Å; I2165-T2169 VanDerWaalsContact O-CB 3.31Å; I2165-T2169 WeakPolarHBondContact O-CB 3.47Å; I2165-T2169 VanDerWaalsContact O-CG2 3.3Å; I2165-T2169 WeakPolarHBondContact O-CG2 3.26Å; I2165-T2169 PolarHBondContact O-N 3.09Å; I2165-T2169 PolarHBondContact O-OG1 3.44Å; A2166-T2169 PolarHBondContact O-OG1 3.31Å; T2169-W2172 CarbonylContact O-C 3.6Å; T2169-W2172 PolarHBondContact O-N 2.99Å; T2169-W2172 VanDerWaalsContact O-N 3.13Å; T2169-L2173 WeakPolarHBondContact O-CB 3.15Å; T2169-L2173 PolarHBondContact O-N 2.83Å |
| 2170 | L | 58.2 | Low | 49.6 | Very low | 26 Ų | 26 | 72.7 Ų | 72.7 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.1 | -49.4 | 174.6 | 179 | 75 | 0 | 0 | 0 | 112.8 | A2166 W2172 L2173 T2174 L2189 A2193 F2197 | A2166-L2170 WeakPolarHBondContact O-CB 3.45Å; A2166-L2170 PolarHBondContact O-N 2.95Å; L2170-W2172 VanDerWaalsContact C-N 3.29Å; L2170-W2172 PolarHBondContact O-N 3.37Å; L2170-L2173 PolarHBondContact O-N 3.25Å; L2170-T2174 WeakPolarHBondContact O-CB 3.45Å; L2170-T2174 PolarHBondContact O-N 3.15Å; L2170-T2174 PolarHBondContact O-OG1 3.34Å; L2170-L2189 HydrophobicContact CD1-CB 4.42Å; L2170-A2193 HydrophobicContact CD2-CB 3.88Å; L2170-F2197 HydrophobicContact CD2-CE2 4.09Å |
| 2171 | P | 56.7 | Low | 50 | Low | 80 Ų | 80 | 70.7 Ų | 70.7 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -53.3 | -41.4 | 171.2 | -30.2 | 33.8 | 0 | 0 | 0 | 114.2 | K2167 S2168 W2175 | K2167-P2171 WeakPolarHBondContact O-CD 3.16Å; S2168-P2171 WeakPolarHBondContact O-CD 3.24Å; P2171-W2175 WeakPolarHBondContact O-CB 3.46Å; P2171-W2175 PolarHBondContact O-N 3.06Å |
| 2172 | W | 57.3 | Low | 50.6 | Low | 134 Ų | 134 | 70.9 Ų | 70.9 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 177 | 177.2 | 85.6 | 0 | 0 | 0 | 112.2 | T2169 L2170 W2175 L2176 | T2169-W2172 CarbonylContact O-C 3.6Å; T2169-W2172 PolarHBondContact O-N 2.99Å; T2169-W2172 VanDerWaalsContact O-N 3.13Å; L2170-W2172 VanDerWaalsContact C-N 3.29Å; L2170-W2172 PolarHBondContact O-N 3.37Å; W2172-W2175 PolarHBondContact O-N 2.99Å; W2172-L2176 HydrophobicContact CH2-CD2 3.87Å; W2172-L2176 HydrophobicContact CZ2-CD2 4.33Å; W2172-L2176 HydrophobicContact CZ3-CD2 4.11Å; W2172-L2176 VanDerWaalsContact O-CB 3.25Å; W2172-L2176 WeakPolarHBondContact O-CB 3.49Å; W2172-L2176 PolarHBondContact O-N 3.26Å |
| 2173 | L | 52.2 | Low | 51.7 | Low | 44 Ų | 44 | 70 Ų | 70 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.7 | -46.1 | 176.5 | -176.3 | 64.8 | 0 | 0 | 0 | 111.4 | T2169 L2170 W2175 L2176 L2177 L2189 | T2169-L2173 WeakPolarHBondContact O-CB 3.15Å; T2169-L2173 PolarHBondContact O-N 2.83Å; L2170-L2173 PolarHBondContact O-N 3.25Å; L2173-W2175 VanDerWaalsContact C-N 3.29Å; L2173-W2175 PolarHBondContact O-N 2.73Å; L2173-L2176 PolarHBondContact O-N 3.13Å; L2173-L2177 HydrophobicContact CD1-CD1 4.45Å; L2173-L2177 HydrophobicContact CG-CD1 4.14Å; L2173-L2177 WeakPolarHBondContact O-CB 3.42Å; L2173-L2177 VanDerWaalsContact O-CG 3.24Å; L2173-L2177 WeakPolarHBondContact O-CG 3.31Å; L2173-L2177 PolarHBondContact O-N 3.3Å; L2173-L2189 HydrophobicContact CD2-CD1 4.31Å |
| 2174 | T | 60.4 | Low | 51.8 | Low | 7 Ų | 7 | 71.8 Ų | 71.8 | 4% | 0.043 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.6 | -36.4 | 173.1 | -68.4 | 0 | 0 | 0 | 0 | 111.3 | L2170 K2178 A2186 N2190 | L2170-T2174 WeakPolarHBondContact O-CB 3.45Å; L2170-T2174 PolarHBondContact O-N 3.15Å; L2170-T2174 PolarHBondContact O-OG1 3.34Å; T2174-K2178 HydrophobicContact CG2-CD 4.45Å; T2174-K2178 WeakPolarHBondContact O-CB 3.35Å; T2174-K2178 VanDerWaalsContact O-CG 3.27Å; T2174-K2178 WeakPolarHBondContact O-CG 3.5Å; T2174-K2178 PolarHBondContact O-N 3.34Å; T2174-K2178 VanDerWaalsContact O-N 3.13Å; T2174-A2186 HydrophobicContact CG2-CB 4.07Å; T2174-N2190 VanDerWaalsContact CG2-OD1 3.29Å; T2174-N2190 WeakPolarHBondContact CG2-OD1 3.28Å; T2174-N2190 PolarHBondContact OG1-OD1 3.1Å |
| 2175 | W | 69.7 | Low | 51.9 | Low | 141 Ų | 141 | 68 Ų | 68 | 53% | 0.534 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.7 | -50.4 | 171.7 | 176 | 90.2 | 0 | 0 | 0 | 111.3 | P2171 W2172 L2173 L2177 K2178 Q2179 | P2171-W2175 WeakPolarHBondContact O-CB 3.46Å; P2171-W2175 PolarHBondContact O-N 3.06Å; W2172-W2175 PolarHBondContact O-N 2.99Å; L2173-W2175 VanDerWaalsContact C-N 3.29Å; L2173-W2175 PolarHBondContact O-N 2.73Å; W2175-L2177 VanDerWaalsContact C-N 3.34Å; W2175-L2177 PolarHBondContact O-N 3.21Å; W2175-K2178 CarbonylContact O-C 3.57Å; W2175-K2178 WeakPolarHBondContact O-CA 3.45Å; W2175-K2178 WeakPolarHBondContact O-CB 3.33Å; W2175-K2178 PolarHBondContact O-N 3.47Å; W2175-K2178 VanDerWaalsContact O-N 3.07Å; W2175-Q2179 HydrophobicContact CD2-CG 3.89Å; W2175-Q2179 HydrophobicContact CE3-CG 4.22Å; W2175-Q2179 HydrophobicContact CG-CG 4.46Å; W2175-Q2179 HydrophobicContact CH2-CG 4.1Å; W2175-Q2179 HydrophobicContact CZ2-CG 3.77Å; W2175-Q2179 HydrophobicContact CZ3-CG 4.32Å; W2175-Q2179 VanDerWaalsContact NE1-NE2 3.17Å; W2175-Q2179 WeakPolarHBondContact O-CG 3.4Å; W2175-Q2179 PolarHBondContact O-N 3.46Å |
| 2176 | L | 49.6 | Very low | 52.7 | Low | 42 Ų | 42 | 65.9 Ų | 65.9 | 22% | 0.22 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.6 | -46.9 | 179.2 | -176.4 | 73.3 | 0 | 0 | 0 | 111.2 | W2172 L2173 K2178 Q2179 I2180 | W2172-L2176 HydrophobicContact CH2-CD2 3.87Å; W2172-L2176 HydrophobicContact CZ2-CD2 4.33Å; W2172-L2176 HydrophobicContact CZ3-CD2 4.11Å; W2172-L2176 VanDerWaalsContact O-CB 3.25Å; W2172-L2176 WeakPolarHBondContact O-CB 3.49Å; W2172-L2176 PolarHBondContact O-N 3.26Å; L2173-L2176 PolarHBondContact O-N 3.13Å; L2176-K2178 VanDerWaalsContact C-N 3.35Å; L2176-K2178 PolarHBondContact O-N 3.38Å; L2176-Q2179 PolarHBondContact O-N 3.31Å; L2176-Q2179 VanDerWaalsContact O-N 3.17Å; L2176-I2180 HydrophobicContact CD1-CD1 4.26Å; L2176-I2180 HydrophobicContact CD2-CD1 4.45Å; L2176-I2180 HydrophobicContact CG-CD1 3.86Å; L2176-I2180 WeakPolarHBondContact O-CB 3.42Å; L2176-I2180 VanDerWaalsContact O-CG1 3.25Å; L2176-I2180 WeakPolarHBondContact O-CG1 3.38Å; L2176-I2180 PolarHBondContact O-N 2.83Å |
| 2177 | L | 55 | Low | 53.6 | Low | 15 Ų | 15 | 67.7 Ų | 67.7 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 176.5 | -71.1 | 171.6 | 0 | 0 | 0 | 112.2 | L2173 W2175 I2180 G2181 W2182 L2185 A2186 L2189 | L2173-L2177 HydrophobicContact CD1-CD1 4.45Å; L2173-L2177 HydrophobicContact CG-CD1 4.14Å; L2173-L2177 WeakPolarHBondContact O-CB 3.42Å; L2173-L2177 VanDerWaalsContact O-CG 3.24Å; L2173-L2177 WeakPolarHBondContact O-CG 3.31Å; L2173-L2177 PolarHBondContact O-N 3.3Å; W2175-L2177 VanDerWaalsContact C-N 3.34Å; W2175-L2177 PolarHBondContact O-N 3.21Å; L2177-I2180 PolarHBondContact O-N 3.4Å; L2177-G2181 PolarHBondContact O-N 2.85Å; L2177-W2182 HydrophobicContact CD2-CB 4.39Å; L2177-W2182 HydrophobicContact CD2-CD2 4.34Å; L2177-W2182 HydrophobicContact CD2-CE3 3.62Å; L2177-W2182 HydrophobicContact CD2-CZ3 4.18Å; L2177-W2182 CarbonylContact O-C 3.55Å; L2177-W2182 WeakPolarHBondContact O-CA 3.44Å; L2177-W2182 PolarHBondContact O-N 2.88Å; L2177-L2185 HydrophobicContact CD1-CD2 4.25Å; L2177-L2185 HydrophobicContact CD2-CD2 4.12Å; L2177-A2186 HydrophobicContact CB-CB 3.79Å; L2177-L2189 HydrophobicContact CD1-CD1 3.38Å |
| 2178 | K | 55.9 | Low | 53.9 | Low | 100 Ų | 100 | 68.8 Ų | 68.8 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 171.1 | -75.6 | 172.7 | -178.4 | -179.2 | 0 | 112.4 | T2174 W2175 L2176 I2180 G2181 A2186 | T2174-K2178 HydrophobicContact CG2-CD 4.45Å; T2174-K2178 WeakPolarHBondContact O-CB 3.35Å; T2174-K2178 VanDerWaalsContact O-CG 3.27Å; T2174-K2178 WeakPolarHBondContact O-CG 3.5Å; T2174-K2178 PolarHBondContact O-N 3.34Å; T2174-K2178 VanDerWaalsContact O-N 3.13Å; W2175-K2178 CarbonylContact O-C 3.57Å; W2175-K2178 WeakPolarHBondContact O-CA 3.45Å; W2175-K2178 WeakPolarHBondContact O-CB 3.33Å; W2175-K2178 PolarHBondContact O-N 3.47Å; W2175-K2178 VanDerWaalsContact O-N 3.07Å; L2176-K2178 VanDerWaalsContact C-N 3.35Å; L2176-K2178 PolarHBondContact O-N 3.38Å; K2178-I2180 VanDerWaalsContact C-N 3.31Å; K2178-I2180 PolarHBondContact O-N 3.41Å; K2178-G2181 PolarHBondContact O-N 3.23Å; K2178-A2186 HydrophobicContact CD-CB 4.46Å; K2178-A2186 HydrophobicContact CG-CB 3.71Å |
| 2179 | Q | 46.1 | Very low | 54.1 | Low | 125 Ų | 125 | 67.2 Ų | 67.2 | 58% | 0.584 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.9 | -29.7 | 176.5 | -59.8 | -50.9 | -29 | 0 | 0 | 112.9 | W2175 L2176 G2181 | W2175-Q2179 HydrophobicContact CD2-CG 3.89Å; W2175-Q2179 HydrophobicContact CE3-CG 4.22Å; W2175-Q2179 HydrophobicContact CG-CG 4.46Å; W2175-Q2179 HydrophobicContact CH2-CG 4.1Å; W2175-Q2179 HydrophobicContact CZ2-CG 3.77Å; W2175-Q2179 HydrophobicContact CZ3-CG 4.32Å; W2175-Q2179 VanDerWaalsContact NE1-NE2 3.17Å; W2175-Q2179 WeakPolarHBondContact O-CG 3.4Å; W2175-Q2179 PolarHBondContact O-N 3.46Å; L2176-Q2179 PolarHBondContact O-N 3.31Å; L2176-Q2179 VanDerWaalsContact O-N 3.17Å; Q2179-G2181 PolarHBondContact O-N 3.05Å |
| 2180 | I | 44.4 | Very low | 54.7 | Low | 33 Ų | 33 | 67.8 Ų | 67.8 | 17% | 0.169 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -7.6 | 173.2 | -66.6 | 169.3 | 0 | 0 | 0 | 111.6 | F1955 L2176 L2177 K2178 W2182 | F1955-I2180 HydrophobicContact CE1-CD1 3.93Å; F1955-I2180 HydrophobicContact CE1-CG1 3.76Å; F1955-I2180 HydrophobicContact CE1-CG2 4.31Å; F1955-I2180 HydrophobicContact CE2-CD1 4.43Å; F1955-I2180 HydrophobicContact CE2-CG1 4.27Å; F1955-I2180 HydrophobicContact CZ-CD1 3.54Å; F1955-I2180 HydrophobicContact CZ-CG1 3.61Å; L2176-I2180 HydrophobicContact CD1-CD1 4.26Å; L2176-I2180 HydrophobicContact CD2-CD1 4.45Å; L2176-I2180 HydrophobicContact CG-CD1 3.86Å; L2176-I2180 WeakPolarHBondContact O-CB 3.42Å; L2176-I2180 VanDerWaalsContact O-CG1 3.25Å; L2176-I2180 WeakPolarHBondContact O-CG1 3.38Å; L2176-I2180 PolarHBondContact O-N 2.83Å; L2177-I2180 PolarHBondContact O-N 3.4Å; K2178-I2180 VanDerWaalsContact C-N 3.31Å; K2178-I2180 PolarHBondContact O-N 3.41Å; I2180-W2182 HydrophobicContact CG2-CD2 4.26Å; I2180-W2182 HydrophobicContact CG2-CG 4.19Å; I2180-W2182 HydrophobicContact CG2-CZ2 4.44Å |
| 2181 | G | 43.6 | Very low | 54.7 | Low | 53 Ų | 53 | 72.5 Ų | 72.5 | 55% | 0.546 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 6.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L2177 K2178 Q2179 S2183 | L2177-G2181 PolarHBondContact O-N 2.85Å; K2178-G2181 PolarHBondContact O-N 3.23Å; Q2179-G2181 PolarHBondContact O-N 3.05Å; G2181-S2183 PolarHBondContact O-N 3.48Å; G2181-S2183 VanDerWaalsContact O-N 3.07Å |
| 2182 | W | 53.1 | Low | 54.6 | Low | 66 Ų | 66 | 71.2 Ų | 71.2 | 25% | 0.25 | 35% | 0.347 | C | S | . | . | trans | -86.9 | 54 | 176.3 | -62.2 | 7.8 | 0 | 0 | 0 | 110.5 | I2106 Y2111 L2177 I2180 D2184 L2185 A2186 | I2106-W2182 HydrophobicContact CG2-CH2 4.23Å; Y2111-W2182 AromaticContact CD1-CH2 3.23Å; Y2111-W2182 HydrophobicContact CD1-CH2 3.23Å; Y2111-W2182 AromaticContact CD1-CZ2 3.56Å; Y2111-W2182 HydrophobicContact CD1-CZ2 3.56Å; Y2111-W2182 HydrophobicContact CD1-CZ3 4.07Å; Y2111-W2182 AromaticContact CE1-CH2 3.36Å; Y2111-W2182 HydrophobicContact CE1-CH2 3.36Å; Y2111-W2182 AromaticContact CE1-CZ2 3.15Å; Y2111-W2182 HydrophobicContact CE1-CZ2 3.15Å; Y2111-W2182 HydrophobicContact CE1-CZ3 4.49Å; Y2111-W2182 HydrophobicContact CE2-CZ2 4.29Å; Y2111-W2182 AromaticContact CG-CH2 3.94Å; Y2111-W2182 HydrophobicContact CG-CH2 3.94Å; Y2111-W2182 HydrophobicContact CG-CZ2 4.25Å; Y2111-W2182 HydrophobicContact CG-CZ3 4.4Å; Y2111-W2182 AromaticContact CZ-CZ2 3.56Å; L2177-W2182 HydrophobicContact CD2-CB 4.39Å; L2177-W2182 HydrophobicContact CD2-CD2 4.34Å; L2177-W2182 HydrophobicContact CD2-CE3 3.62Å; L2177-W2182 HydrophobicContact CD2-CZ3 4.18Å; L2177-W2182 CarbonylContact O-C 3.55Å; L2177-W2182 WeakPolarHBondContact O-CA 3.44Å; L2177-W2182 PolarHBondContact O-N 2.88Å; I2180-W2182 HydrophobicContact CG2-CD2 4.26Å; I2180-W2182 HydrophobicContact CG2-CG 4.19Å; I2180-W2182 HydrophobicContact CG2-CZ2 4.44Å; W2182-D2184 PolarHBondContact O-N 3.12Å; W2182-L2185 HydrophobicContact CB-CB 4.22Å; W2182-L2185 HydrophobicContact CE3-CD2 3.68Å; W2182-L2185 HydrophobicContact CZ3-CD2 4.08Å; W2182-L2185 PolarHBondContact O-N 3.38Å; W2182-L2185 VanDerWaalsContact O-N 3.14Å; W2182-A2186 PolarHBondContact O-N 3.14Å | ||
| 2183 | S | 61.5 | Low | 54.3 | Low | 56 Ų | 56 | 65.7 Ų | 65.7 | 39% | 0.392 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -51 | -41 | 179.5 | -62.6 | 0 | 0 | 0 | 0 | 112 | G2181 A2186 I2187 | G2181-S2183 PolarHBondContact O-N 3.48Å; G2181-S2183 VanDerWaalsContact O-N 3.07Å; S2183-A2186 PolarHBondContact O-N 3.38Å; S2183-I2187 WeakPolarHBondContact O-CB 3.08Å; S2183-I2187 WeakPolarHBondContact O-CD1 3.41Å; S2183-I2187 WeakPolarHBondContact O-CG1 3.46Å; S2183-I2187 PolarHBondContact O-N 3.12Å |
| 2184 | D | 45.6 | Very low | 53.6 | Low | 129 Ų | 129 | 66.4 Ų | 66.4 | 69% | 0.69 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -72.2 | -35.7 | -177.3 | -55.1 | -45.4 | 0 | 0 | 0 | 112.7 | W2182 I2187 Y2188 | W2182-D2184 PolarHBondContact O-N 3.12Å; D2184-I2187 PolarHBondContact O-N 3.4Å; D2184-Y2188 VanDerWaalsContact O-CB 3.22Å; D2184-Y2188 WeakPolarHBondContact O-CB 3.35Å; D2184-Y2188 PolarHBondContact O-N 2.97Å |
| 2185 | L | 47.7 | Very low | 52.8 | Low | 51 Ų | 51 | 71.8 Ų | 71.8 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.7 | -35.3 | 173.3 | -162.9 | 74.9 | 0 | 0 | 0 | 111.3 | L2177 W2182 Y2188 L2189 | L2177-L2185 HydrophobicContact CD1-CD2 4.25Å; L2177-L2185 HydrophobicContact CD2-CD2 4.12Å; W2182-L2185 HydrophobicContact CB-CB 4.22Å; W2182-L2185 HydrophobicContact CE3-CD2 3.68Å; W2182-L2185 HydrophobicContact CZ3-CD2 4.08Å; W2182-L2185 PolarHBondContact O-N 3.38Å; W2182-L2185 VanDerWaalsContact O-N 3.14Å; L2185-Y2188 HydrophobicContact CD1-CD1 4.42Å; L2185-Y2188 PolarHBondContact O-N 3.44Å; L2185-L2189 HydrophobicContact CG-CD1 4.47Å; L2185-L2189 WeakPolarHBondContact O-CB 3.27Å; L2185-L2189 PolarHBondContact O-N 3.47Å |
| 2186 | A | 60 | Low | 51.4 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2174 L2177 K2178 W2182 S2183 N2190 | T2174-A2186 HydrophobicContact CG2-CB 4.07Å; L2177-A2186 HydrophobicContact CB-CB 3.79Å; K2178-A2186 HydrophobicContact CD-CB 4.46Å; K2178-A2186 HydrophobicContact CG-CB 3.71Å; W2182-A2186 PolarHBondContact O-N 3.14Å; S2183-A2186 PolarHBondContact O-N 3.38Å; A2186-N2190 WeakPolarHBondContact O-CB 3.42Å; A2186-N2190 PolarHBondContact O-N 3.44Å; A2186-N2190 VanDerWaalsContact O-N 3.11Å |
| 2187 | I | 63.1 | Low | 51.4 | Low | 74 Ų | 74 | 68.5 Ų | 68.5 | 38% | 0.379 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 172.6 | -73.4 | 163.4 | 0 | 0 | 0 | 109.9 | S2183 D2184 N2190 Q2191 | S2183-I2187 WeakPolarHBondContact O-CB 3.08Å; S2183-I2187 WeakPolarHBondContact O-CD1 3.41Å; S2183-I2187 WeakPolarHBondContact O-CG1 3.46Å; S2183-I2187 PolarHBondContact O-N 3.12Å; D2184-I2187 PolarHBondContact O-N 3.4Å; I2187-N2190 CarbonylContact O-C 3.59Å; I2187-N2190 PolarHBondContact O-N 3.22Å; I2187-Q2191 HydrophobicContact CG2-CG 4.24Å; I2187-Q2191 WeakPolarHBondContact O-CB 3.36Å; I2187-Q2191 VanDerWaalsContact O-CG 3.29Å; I2187-Q2191 WeakPolarHBondContact O-CG 3.21Å; I2187-Q2191 PolarHBondContact O-N 3.39Å |
| 2188 | Y | 55.8 | Low | 50.6 | Low | 128 Ų | 128 | 72.4 Ų | 72.4 | 50% | 0.502 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 176.7 | -179 | -102.7 | 0 | 0 | 0 | 112 | D2184 L2185 N2190 Q2191 Q2192 | D2184-Y2188 VanDerWaalsContact O-CB 3.22Å; D2184-Y2188 WeakPolarHBondContact O-CB 3.35Å; D2184-Y2188 PolarHBondContact O-N 2.97Å; L2185-Y2188 HydrophobicContact CD1-CD1 4.42Å; L2185-Y2188 PolarHBondContact O-N 3.44Å; Y2188-N2190 VanDerWaalsContact C-N 3.33Å; Y2188-N2190 PolarHBondContact O-N 3.15Å; Y2188-Q2191 CarbonylContact O-C 3.57Å; Y2188-Q2191 PolarHBondContact O-N 3.43Å; Y2188-Q2191 VanDerWaalsContact O-N 3.11Å; Y2188-Q2192 HydrophobicContact CD1-CG 4.18Å; Y2188-Q2192 HydrophobicContact CD2-CG 4.21Å; Y2188-Q2192 HydrophobicContact CE1-CG 3.84Å; Y2188-Q2192 HydrophobicContact CE2-CG 3.87Å; Y2188-Q2192 HydrophobicContact CG-CG 4.36Å; Y2188-Q2192 WeakPolarHBondContact O-CB 3.39Å; Y2188-Q2192 WeakPolarHBondContact O-CG 3.35Å; Y2188-Q2192 PolarHBondContact O-N 2.75Å |
| 2189 | L | 52.9 | Low | 49.6 | Very low | 38 Ų | 38 | 75 Ų | 75 | 20% | 0.199 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 174.1 | -87.4 | 159.5 | 0 | 0 | 0 | 112.4 | L2170 L2173 L2177 L2185 A2193 L2196 | L2170-L2189 HydrophobicContact CD1-CB 4.42Å; L2173-L2189 HydrophobicContact CD2-CD1 4.31Å; L2177-L2189 HydrophobicContact CD1-CD1 3.38Å; L2185-L2189 HydrophobicContact CG-CD1 4.47Å; L2185-L2189 WeakPolarHBondContact O-CB 3.27Å; L2185-L2189 PolarHBondContact O-N 3.47Å; L2189-A2193 PolarHBondContact O-N 3.28Å; L2189-L2196 HydrophobicContact CD2-CD1 4.26Å |
| 2190 | N | 60.9 | Low | 48.7 | Very low | 81 Ų | 81 | 79.6 Ų | 79.6 | 43% | 0.433 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.5 | -34.1 | 171.9 | -90.4 | 29.3 | 0 | 0 | 0 | 113.3 | T2174 A2186 I2187 Y2188 A2193 | T2174-N2190 VanDerWaalsContact CG2-OD1 3.29Å; T2174-N2190 WeakPolarHBondContact CG2-OD1 3.28Å; T2174-N2190 PolarHBondContact OG1-OD1 3.1Å; A2186-N2190 WeakPolarHBondContact O-CB 3.42Å; A2186-N2190 PolarHBondContact O-N 3.44Å; A2186-N2190 VanDerWaalsContact O-N 3.11Å; I2187-N2190 CarbonylContact O-C 3.59Å; I2187-N2190 PolarHBondContact O-N 3.22Å; Y2188-N2190 VanDerWaalsContact C-N 3.33Å; Y2188-N2190 PolarHBondContact O-N 3.15Å; N2190-A2193 WeakPolarHBondContact O-CB 3.28Å; N2190-A2193 PolarHBondContact O-N 3.1Å |
| 2191 | Q | 56.9 | Low | 48.2 | Very low | 126 Ų | 126 | 84.1 Ų | 84.1 | 59% | 0.589 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -74.7 | -31.3 | 176.8 | -76 | 174.2 | -5.5 | 0 | 0 | 112.6 | I2187 Y2188 P2194 | I2187-Q2191 HydrophobicContact CG2-CG 4.24Å; I2187-Q2191 WeakPolarHBondContact O-CB 3.36Å; I2187-Q2191 VanDerWaalsContact O-CG 3.29Å; I2187-Q2191 WeakPolarHBondContact O-CG 3.21Å; I2187-Q2191 PolarHBondContact O-N 3.39Å; Y2188-Q2191 CarbonylContact O-C 3.57Å; Y2188-Q2191 PolarHBondContact O-N 3.43Å; Y2188-Q2191 VanDerWaalsContact O-N 3.11Å; Q2191-P2194 WeakPolarHBondContact O-CD 3.44Å |
| 2192 | Q | 53.9 | Low | 47.4 | Very low | 53 Ų | 53 | 90.2 Ų | 90.2 | 25% | 0.248 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -84.6 | -10.2 | 173 | -63.7 | -57.3 | -49 | 0 | 0 | 112.5 | Y2188 P2194 I2195 L2196 | Y2188-Q2192 HydrophobicContact CD1-CG 4.18Å; Y2188-Q2192 HydrophobicContact CD2-CG 4.21Å; Y2188-Q2192 HydrophobicContact CE1-CG 3.84Å; Y2188-Q2192 HydrophobicContact CE2-CG 3.87Å; Y2188-Q2192 HydrophobicContact CG-CG 4.36Å; Y2188-Q2192 WeakPolarHBondContact O-CB 3.39Å; Y2188-Q2192 WeakPolarHBondContact O-CG 3.35Å; Y2188-Q2192 PolarHBondContact O-N 2.75Å; Q2192-P2194 VanDerWaalsContact C-CD 3.47Å; Q2192-P2194 VanDerWaalsContact C-N 3.34Å; Q2192-I2195 CarbonylContact O-C 3.59Å; Q2192-I2195 WeakPolarHBondContact O-CA 3.46Å; Q2192-I2195 WeakPolarHBondContact O-CB 3.23Å; Q2192-I2195 PolarHBondContact O-N 3.39Å; Q2192-L2196 HydrophobicContact CB-CD1 4.06Å; Q2192-L2196 HydrophobicContact CB-CG 4.38Å; Q2192-L2196 WeakPolarHBondContact O-CG 3.26Å; Q2192-L2196 PolarHBondContact O-N 2.71Å |
| 2193 | A | 51.2 | Low | 46.2 | Very low | 18 Ų | 18 | 91.1 Ų | 91.1 | 15% | 0.149 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -54.3 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | L2170 L2189 N2190 I2195 F2197 | L2170-A2193 HydrophobicContact CD2-CB 3.88Å; L2189-A2193 PolarHBondContact O-N 3.28Å; N2190-A2193 WeakPolarHBondContact O-CB 3.28Å; N2190-A2193 PolarHBondContact O-N 3.1Å; A2193-I2195 PolarHBondContact O-N 2.98Å; A2193-F2197 HydrophobicContact CB-CD2 4.47Å; A2193-F2197 WeakPolarHBondContact O-CA 3.49Å; A2193-F2197 WeakPolarHBondContact O-CB 3.41Å; A2193-F2197 WeakPolarHBondContact O-CD2 2.82Å; A2193-F2197 PolarHBondContact O-N 3.5Å |
| 2194 | P | 38.9 | Very low | 44.7 | Very low | 59 Ų | 59 | 94.1 Ų | 94.1 | 38% | 0.383 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72 | -6 | 174.1 | -17.4 | 33.2 | 0 | 0 | 0 | 115 | Q2191 Q2192 P2198 Q2199 | Q2191-P2194 WeakPolarHBondContact O-CD 3.44Å; Q2192-P2194 VanDerWaalsContact C-CD 3.47Å; Q2192-P2194 VanDerWaalsContact C-N 3.34Å; P2194-P2198 WeakPolarHBondContact O-CA 3.19Å; P2194-Q2199 HydrophobicContact CB-CG 4.36Å |
| 2195 | I | 43 | Very low | 43.8 | Very low | 120 Ų | 120 | 95.8 Ų | 95.8 | 62% | 0.615 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -106.5 | -39.1 | 179.2 | -64.2 | 168.6 | 0 | 0 | 0 | 109.9 | Q2192 A2193 F2197 | Q2192-I2195 CarbonylContact O-C 3.59Å; Q2192-I2195 WeakPolarHBondContact O-CA 3.46Å; Q2192-I2195 WeakPolarHBondContact O-CB 3.23Å; Q2192-I2195 PolarHBondContact O-N 3.39Å; A2193-I2195 PolarHBondContact O-N 2.98Å; I2195-F2197 VanDerWaalsContact C-N 3.31Å |
| 2196 | L | 41.2 | Very low | 42.8 | Very low | 68 Ų | 68 | 96.4 Ų | 96.4 | 36% | 0.356 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.4 | -29.6 | 168.3 | -66.1 | 166.4 | 0 | 0 | 0 | 112.1 | L2189 Q2192 | L2189-L2196 HydrophobicContact CD2-CD1 4.26Å; Q2192-L2196 HydrophobicContact CB-CD1 4.06Å; Q2192-L2196 HydrophobicContact CB-CG 4.38Å; Q2192-L2196 WeakPolarHBondContact O-CG 3.26Å; Q2192-L2196 PolarHBondContact O-N 2.71Å |
| 2197 | F | 48.6 | Very low | 41.3 | Very low | 46 Ų | 46 | 105 Ų | 105 | 20% | 0.202 | 53% | 0.534 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.4 | 79.2 | 178.7 | -49.8 | -72.8 | 0 | 0 | 0 | 109.7 | L2163 A2166 K2167 L2170 A2193 I2195 Q2199 | L2163-F2197 HydrophobicContact CD1-CD1 3.78Å; L2163-F2197 HydrophobicContact CD1-CE1 3.96Å; L2163-F2197 HydrophobicContact CG-CD1 4.41Å; A2166-F2197 HydrophobicContact CB-CE1 3.88Å; A2166-F2197 HydrophobicContact CB-CZ 3.92Å; K2167-F2197 HydrophobicContact CG-CD1 4.12Å; K2167-F2197 HydrophobicContact CG-CE1 4.22Å; K2167-F2197 HydrophobicContact CG-CG 4.31Å; L2170-F2197 HydrophobicContact CD2-CE2 4.09Å; A2193-F2197 HydrophobicContact CB-CD2 4.47Å; A2193-F2197 WeakPolarHBondContact O-CA 3.49Å; A2193-F2197 WeakPolarHBondContact O-CB 3.41Å; A2193-F2197 WeakPolarHBondContact O-CD2 2.82Å; A2193-F2197 PolarHBondContact O-N 3.5Å; I2195-F2197 VanDerWaalsContact C-N 3.31Å; F2197-Q2199 PolarHBondContact O-N 2.84Å |
| 2198 | P | 38.3 | Very low | 39.6 | Very low | 97 Ų | 97 | 106.4 Ų | 106.4 | 63% | 0.63 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 128.6 | -173.1 | 20.8 | -32.3 | 0 | 0 | 0 | 113.5 | P2194 R2200 | P2194-P2198 WeakPolarHBondContact O-CA 3.19Å; P2198-R2200 PolarHBondContact O-N 3.21Å |
| 2199 | Q | 34.6 | Very low | 38.1 | Very low | 154 Ų | 154 | 107.5 Ų | 107.5 | 72% | 0.72 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -73.8 | 22.7 | -171.8 | -67.1 | -174.1 | -47.7 | 0 | 0 | 115.7 | P2194 F2197 | P2194-Q2199 HydrophobicContact CB-CG 4.36Å; F2197-Q2199 PolarHBondContact O-N 2.84Å |
| 2200 | R | 27.2 | Very low | 37.3 | Very low | 221 Ų | 221 | 111 Ų | 111 | 83% | 0.834 | 58% | 0.575 | S | S | * | * | trans | -143.5 | 61.8 | 179.9 | -69.1 | -159.8 | 169.8 | -178.2 | -3.1 | 112.9 | P2198 Y2202 | P2198-R2200 PolarHBondContact O-N 3.21Å; R2200-Y2202 HydrophobicContact CG-CE2 4.13Å | ||
| 2201 | D | 33.7 | Very low | 36.1 | Very low | 128 Ų | 128 | 112.6 Ų | 112.6 | 68% | 0.684 | 58% | 0.583 | S | S | * | * | trans | -122.7 | 97.3 | 151.3 | -155.3 | -28.4 | 0 | 0 | 0 | 108.3 | S2203 | D2201-S2203 VanDerWaalsContact C-N 3.3Å; D2201-S2203 VanDerWaalsContact OD1-CB 3.31Å; D2201-S2203 WeakPolarHBondContact OD1-CB 3.44Å; D2201-S2203 PolarHBondContact OD1-N 3.18Å; D2201-S2203 PolarHBondContact OD1-OG 3.09Å | ||
| 2202 | Y | 26.6 | Very low | 35 | Very low | 181 Ų | 181 | 111.8 Ų | 111.8 | 71% | 0.71 | 58% | 0.582 | S | S | * | * | trans | -92.4 | 13.3 | -175.6 | -78.3 | -80.1 | 0 | 0 | 0 | 112.5 | R2200 L2204 | R2200-Y2202 HydrophobicContact CG-CE2 4.13Å; Y2202-L2204 VanDerWaalsContact C-N 3.32Å; Y2202-L2204 PolarHBondContact O-N 3.21Å | ||
| 2203 | S | 28.6 | Very low | 33.8 | Very low | 86 Ų | 86 | 115.3 Ų | 115.3 | 60% | 0.601 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -22.3 | -176.1 | 52.7 | 0 | 0 | 0 | 0 | 114.9 | D2201 | D2201-S2203 VanDerWaalsContact C-N 3.3Å; D2201-S2203 VanDerWaalsContact OD1-CB 3.31Å; D2201-S2203 WeakPolarHBondContact OD1-CB 3.44Å; D2201-S2203 PolarHBondContact OD1-N 3.18Å; D2201-S2203 PolarHBondContact OD1-OG 3.09Å |
| 2204 | L | 31 | Very low | 32.8 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 62% | 0.623 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | 16.1 | -167.4 | -76.9 | 168.3 | 0 | 0 | 0 | 115.5 | Y2202 | Y2202-L2204 VanDerWaalsContact C-N 3.32Å; Y2202-L2204 PolarHBondContact O-N 3.21Å |
| 2205 | L | 25 | Very low | 32.3 | Very low | 163 Ų | 163 | 125.5 Ų | 125.5 | 85% | 0.853 | 65% | 0.647 | S | S | * | * | trans | -128.7 | 73.3 | 173.9 | -77.3 | 175 | 0 | 0 | 0 | 111.8 | ||||
| 2206 | G | 27 | Very low | 31.6 | Very low | 65 Ų | 65 | 125.9 Ų | 125.9 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | trans | -136.2 | 99.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 2207 | E | 28.6 | Very low | 30.8 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 84% | 0.841 | 67% | 0.672 | S | S | * | * | trans | 64.6 | 147.1 | 162.7 | -54 | -179.2 | 164.6 | 0 | 0 | 117.9 | ||||
| 2208 | N | 27.6 | Very low | 29.4 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 56% | 0.556 | 71% | 0.711 | S | S | * | * | cis | -164.2 | 154.8 | -20.8 | -94.5 | -17.1 | 0 | 0 | 0 | 104.7 | K1911 | K1911-N2208 CarbonylContact O-C 3.31Š| ||
| 2209 | N | 24.2 | Very low | 28.6 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 81% | 0.807 | 72% | 0.718 | S | S | * | * | cis | 71.2 | 0 | 12.5 | -151.3 | 106.7 | 0 | 0 | 0 | 116.6 | K1911 S1912 | K1911-N2209 VanDerWaalsContact C-OXT 3.32Å; K1911-N2209 CarbonylContact O-C 3.56Å; K1911-N2209 PolarHBondContact O-N 2.73Å; S1912-N2209 PolarHBondContact N-OXT 3.27Å |
Retrieved 2,209 of 2,209 residues in 3271.4 ms
(Link to these results)