| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.9 | Low | 75.8 | Confident | 82 Ų | 82 | 64.5 Ų | 64.5 | 40% | 0.404 | 37% | 0.365 | S | S | . | . | 0 | 154.1 | 0 | -90.7 | -169.3 | -57.4 | 0 | 0 | 108.9 | I5 F6 F122 | M1-I5 HydrophobicContact CB-CB 4.34Å; M1-I5 HydrophobicContact CB-CD1 3.97Å; M1-I5 HydrophobicContact CE-CG2 4.22Å; M1-I5 HydrophobicContact CG-CB 4.4Å; M1-I5 HydrophobicContact CG-CD1 3.64Å; M1-I5 HydrophobicContact CG-CG2 4.48Å; M1-I5 HydrophobicContact SD-CB 3.77Å; M1-I5 HydrophobicContact SD-CD1 3.76Å; M1-I5 HydrophobicContact SD-CG1 4.36Å; M1-I5 HydrophobicContact SD-CG2 3.27Å; M1-I5 WeakPolarHBondContact SD-CG2 3.34Å; M1-F6 HydrophobicContact CB-CE2 4.15Å; M1-F6 HydrophobicContact CB-CZ 4.32Å; M1-F6 HydrophobicContact CE-CD1 3.71Å; M1-F6 HydrophobicContact CE-CE1 3.09Å; M1-F6 HydrophobicContact CE-CE2 4.13Å; M1-F6 HydrophobicContact CE-CG 4.44Å; M1-F6 HydrophobicContact CE-CZ 3.34Å; M1-F122 HydrophobicContact CB-CE1 4.42Å; M1-F122 HydrophobicContact CB-CZ 4.4Å; M1-F122 HydrophobicContact CE-CD1 3.8Å; M1-F122 HydrophobicContact CE-CD2 3.13Å; M1-F122 HydrophobicContact CE-CE1 3.63Å; M1-F122 HydrophobicContact CE-CE2 2.95Å; M1-F122 HydrophobicContact CE-CG 3.6Å; M1-F122 HydrophobicContact CE-CZ 3.25Å; M1-F122 HydrophobicContact CG-CE1 3.62Å; M1-F122 HydrophobicContact CG-CE2 3.89Å; M1-F122 HydrophobicContact CG-CZ 3.21Å; M1-F122 HydrophobicContact SD-CD2 3.96Å; M1-F122 HydrophobicContact SD-CE1 3.98Å; M1-F122 HydrophobicContact SD-CE2 3.12Å; M1-F122 WeakPolarHBondContact SD-CE2 3.28Å; M1-F122 HydrophobicContact SD-CZ 3.15Å; M1-F122 WeakPolarHBondContact SD-CZ 3.23Å | |||
| 2 | S | 61.4 | Low | 76.7 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 44% | 0.441 | 35% | 0.349 | S | S | . | . | trans | -66.6 | 145.4 | 167.1 | 51.1 | 0 | 0 | 0 | 0 | 109.7 | S4 I5 | S2-S4 WeakPolarHBondContact CB-OG 3.43Å; S2-S4 PolarHBondContact O-N 3.25Å; S2-S4 PolarHBondContact OG-OG 3.25Å; S2-I5 PolarHBondContact O-N 3.46Å | ||
| 3 | E | 65.1 | Low | 77.9 | Confident | 164 Ų | 164 | 57.5 Ų | 57.5 | 77% | 0.766 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -46.3 | -33.9 | 171.4 | -70.9 | 175.8 | 154.1 | 0 | 0 | 111.9 | I5 F6 E7 | E3-I5 PolarHBondContact O-N 3.14Å; E3-F6 PolarHBondContact O-N 3.06Å; E3-E7 PolarHBondContact O-N 3.08Å; E3-E7 VanDerWaalsContact O-N 3.09Å |
| 4 | S | 70.9 | Confident | 79 | Confident | 79 Ų | 79 | 59.9 Ų | 59.9 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.2 | -28.2 | 177.4 | 68 | 0 | 0 | 0 | 0 | 115.2 | S2 D8 | S2-S4 WeakPolarHBondContact CB-OG 3.43Å; S2-S4 PolarHBondContact O-N 3.25Å; S2-S4 PolarHBondContact OG-OG 3.25Å; S4-D8 PolarHBondContact O-N 3.35Å |
| 5 | I | 76.7 | Confident | 79.9 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -79 | -40.4 | -179.9 | -61.5 | 165.5 | 0 | 0 | 0 | 110.8 | M1 S2 E3 E7 D8 L9 | M1-I5 HydrophobicContact CB-CB 4.34Å; M1-I5 HydrophobicContact CB-CD1 3.97Å; M1-I5 HydrophobicContact CE-CG2 4.22Å; M1-I5 HydrophobicContact CG-CB 4.4Å; M1-I5 HydrophobicContact CG-CD1 3.64Å; M1-I5 HydrophobicContact CG-CG2 4.48Å; M1-I5 HydrophobicContact SD-CB 3.77Å; M1-I5 HydrophobicContact SD-CD1 3.76Å; M1-I5 HydrophobicContact SD-CG1 4.36Å; M1-I5 HydrophobicContact SD-CG2 3.27Å; M1-I5 WeakPolarHBondContact SD-CG2 3.34Å; S2-I5 PolarHBondContact O-N 3.46Å; E3-I5 PolarHBondContact O-N 3.14Å; I5-E7 VanDerWaalsContact C-N 3.31Å; I5-D8 PolarHBondContact O-N 3.48Å; I5-L9 HydrophobicContact CG2-CD1 4.42Å; I5-L9 WeakPolarHBondContact O-CG 3.31Å; I5-L9 PolarHBondContact O-N 2.95Å; I5-L9 VanDerWaalsContact O-N 3.09Å |
| 6 | F | 81.3 | Confident | 80.5 | Confident | 31 Ų | 31 | 57.7 Ų | 57.7 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.8 | -34.8 | 176.7 | -67.8 | -55.5 | 0 | 0 | 0 | 111.6 | M1 E3 L9 S10 L113 L144 P145 L148 | M1-F6 HydrophobicContact CB-CE2 4.15Å; M1-F6 HydrophobicContact CB-CZ 4.32Å; M1-F6 HydrophobicContact CE-CD1 3.71Å; M1-F6 HydrophobicContact CE-CE1 3.09Å; M1-F6 HydrophobicContact CE-CE2 4.13Å; M1-F6 HydrophobicContact CE-CG 4.44Å; M1-F6 HydrophobicContact CE-CZ 3.34Å; E3-F6 PolarHBondContact O-N 3.06Å; F6-L9 PolarHBondContact O-N 2.83Å; F6-S10 VanDerWaalsContact O-CB 3.24Å; F6-S10 WeakPolarHBondContact O-CB 3.31Å; F6-S10 PolarHBondContact O-N 3.28Å; F6-L113 HydrophobicContact CD1-CD2 4.32Å; F6-L113 HydrophobicContact CE1-CD2 4.13Å; F6-L144 HydrophobicContact CD1-CD2 3.58Å; F6-L144 HydrophobicContact CD2-CD2 4.26Å; F6-L144 HydrophobicContact CE1-CD2 3.37Å; F6-L144 HydrophobicContact CE2-CD2 4.09Å; F6-L144 HydrophobicContact CG-CD2 4.02Å; F6-L144 HydrophobicContact CZ-CD2 3.66Å; F6-P145 HydrophobicContact CB-CG 3.88Å; F6-L148 HydrophobicContact CD1-CD2 4.09Å |
| 7 | E | 82.5 | Confident | 80.8 | Confident | 114 Ų | 114 | 56.6 Ų | 56.6 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 173.4 | -73.9 | -61.9 | 163.7 | 0 | 0 | 112.6 | E3 I5 L9 S10 A11 P145 | E3-E7 PolarHBondContact O-N 3.08Å; E3-E7 VanDerWaalsContact O-N 3.09Å; I5-E7 VanDerWaalsContact C-N 3.31Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 3.08Å; E7-S10 WeakPolarHBondContact O-CB 3.46Å; E7-S10 PolarHBondContact O-N 3.01Å; E7-A11 PolarHBondContact O-N 3.43Å; E7-P145 HydrophobicContact CG-CG 4.5Å |
| 8 | D | 84.9 | Confident | 80.7 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 174 | -179.5 | 49.6 | 0 | 0 | 0 | 111.7 | S4 I5 R65 R115 | S4-D8 PolarHBondContact O-N 3.35Å; I5-D8 PolarHBondContact O-N 3.48Å; D8-R65 IonicContact OD1-NH1 3.51Å; D8-R65 IonicContact OD2-CZ 3.73Å; D8-R65 IonicContact OD2-NH1 3.42Å; D8-R65 PolarHBondContact OD2-NH1 2.89Å; D8-R65 IonicContact OD2-NH2 3.96Å; D8-R115 IonicContact OD2-CZ 2.67Å; D8-R115 IonicContact OD2-NE 3.95Å; D8-R115 IonicContact OD2-NH2 3.63Å; D8-R115 PolarHBondContact OD2-NH2 3.37Å |
| 9 | L | 86.3 | Confident | 80.5 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 176.6 | -71.4 | 174.4 | 0 | 0 | 0 | 112 | I5 F6 E7 A11 Q12 V13 A66 L113 R115 | I5-L9 HydrophobicContact CG2-CD1 4.42Å; I5-L9 WeakPolarHBondContact O-CG 3.31Å; I5-L9 PolarHBondContact O-N 2.95Å; I5-L9 VanDerWaalsContact O-N 3.09Å; F6-L9 PolarHBondContact O-N 2.83Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 PolarHBondContact O-N 3.08Å; L9-A11 PolarHBondContact O-N 3.2Å; L9-Q12 PolarHBondContact O-N 2.77Å; L9-V13 WeakPolarHBondContact O-CG2 3.25Å; L9-V13 PolarHBondContact O-N 3.22Å; L9-A66 HydrophobicContact CD2-CB 3.79Å; L9-L113 HydrophobicContact CD1-CD2 4.06Å; L9-L113 HydrophobicContact CD1-CG 4.44Å; L9-R115 HydrophobicContact CD1-CB 4.34Å; L9-R115 HydrophobicContact CD2-CB 4.1Å; L9-R115 HydrophobicContact CD2-CG 3.84Å |
| 10 | S | 86.3 | Confident | 80.7 | Confident | 12 Ų | 12 | 64 Ų | 64 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -54.1 | -39 | 178.9 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | F6 E7 Q12 V13 R147 | F6-S10 VanDerWaalsContact O-CB 3.24Å; F6-S10 WeakPolarHBondContact O-CB 3.31Å; F6-S10 PolarHBondContact O-N 3.28Å; E7-S10 WeakPolarHBondContact O-CB 3.46Å; E7-S10 PolarHBondContact O-N 3.01Å; S10-Q12 PolarHBondContact O-N 3.09Å; S10-V13 PolarHBondContact O-N 3.05Å; S10-R147 PolarHBondContact O-NE 3.34Å |
| 11 | A | 86.6 | Confident | 81 | Confident | 78 Ų | 78 | 65.7 Ų | 65.7 | 65% | 0.645 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.9 | -23.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E7 L9 | E7-A11 PolarHBondContact O-N 3.43Å; L9-A11 PolarHBondContact O-N 3.2Å |
| 12 | Q | 86.3 | Confident | 82.8 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 18% | 0.178 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -97.9 | -9.5 | -176.8 | -60.4 | -153.2 | 3 | 0 | 0 | 114.7 | L9 S10 R45 R65 | L9-Q12 PolarHBondContact O-N 2.77Å; S10-Q12 PolarHBondContact O-N 3.09Å; Q12-R45 PolarHBondContact O-NE 2.88Å; Q12-R65 VanDerWaalsContact OE1-CB 3.26Å |
| 13 | V | 92.7 | Very high | 84.3 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | trans | -93.8 | 142.9 | -173.6 | 168.4 | 0 | 0 | 0 | 0 | 110.7 | L9 S10 M44 A66 R147 L148 S151 | L9-V13 WeakPolarHBondContact O-CG2 3.25Å; L9-V13 PolarHBondContact O-N 3.22Å; S10-V13 PolarHBondContact O-N 3.05Å; V13-M44 HydrophobicContact CB-CB 4.43Å; V13-M44 HydrophobicContact CG1-CB 4.15Å; V13-M44 HydrophobicContact CG1-CE 3.87Å; V13-M44 HydrophobicContact CG2-CB 3.77Å; V13-M44 HydrophobicContact CG2-CE 4.06Å; V13-M44 HydrophobicContact CG2-SD 4.01Å; V13-A66 HydrophobicContact CG2-CB 3.62Å; V13-R147 VanDerWaalsContact O-CZ 3.24Å; V13-R147 PolarHBondContact O-NE 3.3Å; V13-R147 PolarHBondContact O-NH2 2.76Å; V13-L148 HydrophobicContact CG2-CD1 3.86Å; V13-S151 WeakPolarHBondContact CG1-OG 3.25Å | ||
| 14 | R | 93.8 | Very high | 85.5 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 34% | 0.34 | 30% | 0.304 | S | S | . | . | trans | -106.1 | 149.9 | 170.2 | -170.5 | 165.1 | 63.3 | 101.8 | -5.8 | 109.9 | E20 M44 R45 F47 S151 | R14-E20 IonicContact CZ-OE1 3.27Å; R14-E20 IonicContact CZ-OE2 3.53Å; R14-E20 IonicContact NH1-OE1 3.41Å; R14-E20 PolarHBondContact NH1-OE1 2.94Å; R14-E20 IonicContact NH1-OE2 3.94Å; R14-E20 PolarHBondContact NH1-OE2 2.88Å; R14-E20 IonicContact NH2-OE1 3.58Å; R14-E20 PolarHBondContact NH2-OE1 3.16Å; R14-E20 IonicContact NH2-OE2 2.83Å; R14-M44 PolarHBondContact N-O 2.77Å; R14-R45 PolarHBondContact NE-O 3.13Å; R14-R45 PolarHBondContact NH2-O 3.39Å; R14-F47 HydrophobicContact CB-CZ 3.89Å; R14-F47 HydrophobicContact CG-CZ 4.21Å; R14-F47 VanDerWaalsContact NH2-CD2 3.35Å; R14-F47 WeakPolarHBondContact O-CZ 3.27Å; R14-S151 WeakPolarHBondContact O-CB 3.44Å; R14-S151 PolarHBondContact O-OG 3.09Å | ||
| 15 | I | 91.7 | Very high | 86.4 | Confident | 71 Ų | 71 | 49.9 Ų | 49.9 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 123.5 | 170 | -59.5 | 179.6 | 0 | 0 | 0 | 106.4 | G17 R147 T150 L154 | I15-G17 PolarHBondContact O-N 3.05Å; I15-R147 HydrophobicContact CD1-CG 4.24Å; I15-R147 HydrophobicContact CG1-CG 4.21Å; I15-T150 HydrophobicContact CD1-CG2 4.24Å; I15-T150 HydrophobicContact CG2-CG2 4.04Å; I15-L154 HydrophobicContact CG2-CD1 3.47Å; I15-L154 VanDerWaalsContact CG2-CD1 3.47Å |
| 16 | P | 89.8 | Confident | 87.2 | Confident | 14 Ų | 14 | 49 Ų | 49 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 134.2 | 173.3 | -22.8 | 30.4 | 0 | 0 | 0 | 111.4 | E20 F47 L154 I155 | P16-E20 WeakPolarHBondContact CA-OE2 3.31Å; P16-F47 HydrophobicContact CB-CD2 4.5Å; P16-F47 HydrophobicContact CB-CE2 3.99Å; P16-F47 HydrophobicContact CB-CZ 4.04Å; P16-F47 HydrophobicContact CG-CD1 4.15Å; P16-F47 HydrophobicContact CG-CD2 4.46Å; P16-F47 HydrophobicContact CG-CE1 3.64Å; P16-F47 HydrophobicContact CG-CE2 3.94Å; P16-F47 HydrophobicContact CG-CZ 3.52Å; P16-L154 HydrophobicContact CG-CB 4.02Å; P16-I155 HydrophobicContact CG-CG1 4.05Å |
| 17 | G | 85.6 | Confident | 87.8 | Confident | 40 Ų | 40 | 47.5 Ų | 47.5 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 167 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I15 G19 E20 | I15-G17 PolarHBondContact O-N 3.05Å; G17-G19 PolarHBondContact O-N 3.3Å; G17-E20 PolarHBondContact N-OE2 3.41Å; G17-E20 VanDerWaalsContact O-CB 3.28Å; G17-E20 WeakPolarHBondContact O-CB 3.39Å; G17-E20 PolarHBondContact O-N 3.4Å |
| 18 | D | 79 | Confident | 88.5 | Confident | 168 Ų | 168 | 42 Ų | 42 | 90% | 0.898 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 121.2 | 176.4 | -68.4 | -21.2 | 0 | 0 | 0 | 110.6 | E20 | D18-E20 VanDerWaalsContact C-N 3.26Å; D18-E20 PolarHBondContact O-N 3.07Å |
| 19 | G | 76.3 | Confident | 89 | Confident | 82 Ų | 82 | 39.6 Ų | 39.6 | 85% | 0.845 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 5.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G17 K21 | G17-G19 PolarHBondContact O-N 3.3Å; G19-K21 PolarHBondContact O-N 2.93Å |
| 20 | E | 84.9 | Confident | 89.5 | Confident | 67 Ų | 67 | 40.4 Ų | 40.4 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | trans | -66.3 | 132.5 | 178.3 | -174.7 | 163.1 | -154.4 | 0 | 0 | 112.1 | R14 P16 G17 D18 V22 F47 | R14-E20 IonicContact CZ-OE1 3.27Å; R14-E20 IonicContact CZ-OE2 3.53Å; R14-E20 IonicContact NH1-OE1 3.41Å; R14-E20 PolarHBondContact NH1-OE1 2.94Å; R14-E20 IonicContact NH1-OE2 3.94Å; R14-E20 PolarHBondContact NH1-OE2 2.88Å; R14-E20 IonicContact NH2-OE1 3.58Å; R14-E20 PolarHBondContact NH2-OE1 3.16Å; R14-E20 IonicContact NH2-OE2 2.83Å; P16-E20 WeakPolarHBondContact CA-OE2 3.31Å; G17-E20 PolarHBondContact N-OE2 3.41Å; G17-E20 VanDerWaalsContact O-CB 3.28Å; G17-E20 WeakPolarHBondContact O-CB 3.39Å; G17-E20 PolarHBondContact O-N 3.4Å; D18-E20 VanDerWaalsContact C-N 3.26Å; D18-E20 PolarHBondContact O-N 3.07Å; E20-V22 PolarHBondContact O-N 2.71Å; E20-F47 HydrophobicContact CG-CD2 4.19Å; E20-F47 WeakPolarHBondContact OE2-CE2 3.4Å | ||
| 21 | K | 86.9 | Confident | 89.8 | Confident | 100 Ų | 100 | 41 Ų | 41 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | trans | -71.9 | 121.3 | -175.6 | -72.2 | -170.8 | 176.8 | -163.5 | 0 | 111.2 | G19 F23 V161 E165 | G19-K21 PolarHBondContact O-N 2.93Å; K21-F23 HydrophobicContact CB-CE2 3.95Å; K21-F23 HydrophobicContact CB-CZ 4.26Å; K21-F23 HydrophobicContact CD-CZ 4.32Å; K21-V161 HydrophobicContact CB-CG1 4.43Å; K21-V161 HydrophobicContact CB-CG2 3.49Å; K21-V161 VanDerWaalsContact CB-CG2 3.49Å; K21-V161 HydrophobicContact CD-CG1 3.85Å; K21-V161 HydrophobicContact CD-CG2 4.4Å; K21-V161 HydrophobicContact CG-CG1 4.19Å; K21-V161 HydrophobicContact CG-CG2 3.85Å; K21-E165 IonicContact NZ-OE1 3.48Å; K21-E165 PolarHBondContact NZ-OE1 2.97Å | ||
| 22 | V | 90.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | trans | -107.4 | 108.7 | 172.9 | -178 | 0 | 0 | 0 | 0 | 109.7 | E20 K24 F47 I155 A158 V161 | E20-V22 PolarHBondContact O-N 2.71Å; V22-K24 HydrophobicContact CG1-CB 4.32Å; V22-K24 PolarHBondContact O-N 2.91Å; V22-F47 HydrophobicContact CB-CB 4.44Å; V22-F47 HydrophobicContact CG1-CB 4.32Å; V22-F47 HydrophobicContact CG2-CB 4.14Å; V22-F47 HydrophobicContact CG2-CG 4.45Å; V22-I155 HydrophobicContact CG1-CG2 4.29Å; V22-A158 HydrophobicContact CB-CB 3.78Å; V22-A158 HydrophobicContact CG1-CB 4.27Å; V22-A158 HydrophobicContact CG2-CB 3.61Å; V22-V161 VanDerWaalsContact N-CG2 3.35Å; V22-V161 WeakPolarHBondContact O-CG2 3.2Å | ||
| 23 | F | 91.5 | Very high | 90.5 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -85.7 | 88.9 | 179.1 | -63.9 | -87.1 | 0 | 0 | 0 | 109.9 | K21 F47 V48 A49 V161 L383 V385 | K21-F23 HydrophobicContact CB-CE2 3.95Å; K21-F23 HydrophobicContact CB-CZ 4.26Å; K21-F23 HydrophobicContact CD-CZ 4.32Å; F23-F47 PolarHBondContact N-O 3.25Å; F23-V48 HydrophobicContact CD2-CG2 4.26Å; F23-A49 WeakPolarHBondContact O-CB 3.25Å; F23-A49 PolarHBondContact O-N 3.37Å; F23-V161 HydrophobicContact CD1-CB 4.28Å; F23-V161 HydrophobicContact CD1-CG1 4.35Å; F23-V161 HydrophobicContact CE1-CB 4.22Å; F23-V161 HydrophobicContact CE1-CG1 3.8Å; F23-V161 HydrophobicContact CZ-CG1 4.21Å; F23-L383 HydrophobicContact CE2-CD1 4.44Å; F23-V385 HydrophobicContact CB-CG1 4.46Å; F23-V385 HydrophobicContact CD1-CG1 4.16Å; F23-V385 HydrophobicContact CD1-CG2 4.4Å; F23-V385 HydrophobicContact CD2-CG2 4.22Å; F23-V385 HydrophobicContact CE1-CB 4.45Å; F23-V385 HydrophobicContact CE1-CG2 4.09Å; F23-V385 HydrophobicContact CE2-CG2 3.89Å; F23-V385 HydrophobicContact CG-CG1 4.15Å; F23-V385 HydrophobicContact CG-CG2 4.46Å; F23-V385 HydrophobicContact CZ-CG2 3.81Å |
| 24 | K | 91.9 | Very high | 90.5 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | trans | -112.2 | 15.3 | -176.3 | 68 | 171.8 | 175.6 | -176 | 0 | 115.1 | V22 I40 I42 Y70 W111 Q156 A158 | V22-K24 HydrophobicContact CG1-CB 4.32Å; V22-K24 PolarHBondContact O-N 2.91Å; K24-I40 WeakPolarHBondContact O-CD1 3.36Å; K24-I42 HydrophobicContact CB-CD1 3.54Å; K24-I42 HydrophobicContact CB-CG1 4.17Å; K24-Y70 HydrophobicContact CB-CD1 4.4Å; K24-Y70 HydrophobicContact CD-CD1 4.46Å; K24-Y70 HydrophobicContact CD-CE1 4.19Å; K24-Y70 HydrophobicContact CG-CE1 4.49Å; K24-W111 HydrophobicContact CD-CH2 4.32Å; K24-Q156 PolarHBondContact NZ-O 3.18Å; K24-Q156 VanDerWaalsContact NZ-O 3.13Å; K24-A158 WeakPolarHBondContact CE-O 3.41Å; K24-A158 PolarHBondContact NZ-O 3.46Å | ||
| 25 | D | 88.7 | Confident | 90.3 | Very high | 31 Ų | 31 | 36.5 Ų | 36.5 | 17% | 0.166 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -104.7 | -34.9 | -172.1 | -54.2 | -75.9 | 0 | 0 | 0 | 113.5 | P34 S160 L162 | D25-P34 WeakPolarHBondContact O-CD 3.48Å; D25-S160 WeakPolarHBondContact OD1-CB 3.47Å; D25-S160 PolarHBondContact OD1-OG 2.9Å; D25-S160 WeakPolarHBondContact OD2-CB 3.46Å; D25-S160 PolarHBondContact OD2-OG 3Å; D25-L162 HydrophobicContact CB-CB 4.36Å; D25-L162 HydrophobicContact CB-CD1 3.69Å; D25-L162 HydrophobicContact CB-CG 4.25Å |
| 26 | E | 92.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 5% | 0.051 | 21% | 0.207 | C | C | . | . | trans | -154.3 | 140.3 | -170.4 | -171 | 175.9 | 91.7 | 0 | 0 | 110.6 | K394 L431 | E26-K394 VanDerWaalsContact CD-NZ 3.31Å; E26-K394 IonicContact OE1-NZ 2.75Å; E26-K394 PolarHBondContact OE1-NZ 3.19Å; E26-L431 HydrophobicContact CB-CD1 4.44Å; E26-L431 HydrophobicContact CG-CD1 4.42Å; E26-L431 WeakPolarHBondContact OE1-CG 3.46Å | ||
| 27 | C | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -66.2 | 135.4 | 171.2 | 176 | 0 | 0 | 0 | 0 | 111.2 | F29 S30 E32 A49 G51 K394 | C27-F29 PolarHBondContact O-N 3.48Å; C27-F29 PolarHBondContact SG-N 2.97Å; C27-S30 CarbonylContact C-O 3.51Å; C27-S30 WeakPolarHBondContact CB-O 3.49Å; C27-S30 PolarHBondContact SG-N 3.27Å; C27-S30 PolarHBondContact SG-OG 2.98Å; C27-S30 VanDerWaalsContact SG-OG 3.36Å; C27-E32 HydrophobicContact CB-CB 4.29Å; C27-E32 PolarHBondContact N-O 2.92Å; C27-A49 WeakPolarHBondContact CA-O 3.18Å; C27-G51 PolarHBondContact SG-N 3.48Å; C27-K394 PolarHBondContact O-NZ 3.27Å | ||
| 28 | P | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -69.9 | -17.2 | 175.1 | 24.7 | -30.7 | 0 | 0 | 0 | 113.8 | V48 A49 P384 V385 Q391 K394 L431 | P28-V48 HydrophobicContact CG-CG1 3.78Å; P28-A49 WeakPolarHBondContact CD-O 3.47Å; P28-P384 HydrophobicContact CB-CB 3.88Å; P28-P384 HydrophobicContact CG-CB 3.87Å; P28-V385 HydrophobicContact CB-CG1 3.86Å; P28-V385 HydrophobicContact CG-CG1 4.28Å; P28-Q391 PolarHBondContact O-NE2 3.5Å; P28-K394 VanDerWaalsContact O-CD 3.3Å; P28-K394 WeakPolarHBondContact O-CD 3.45Å; P28-L431 HydrophobicContact CB-CD1 4.48Å |
| 29 | F | 96.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -104.7 | -13.6 | -175.2 | -51.5 | -79.5 | 0 | 0 | 0 | 114.4 | C27 I50 T54 Y58 C368 L372 P384 L390 | C27-F29 PolarHBondContact O-N 3.48Å; C27-F29 PolarHBondContact SG-N 2.97Å; F29-I50 HydrophobicContact CD2-CD1 4.49Å; F29-I50 HydrophobicContact CE2-CD1 4Å; F29-T54 HydrophobicContact CB-CG2 3.68Å; F29-T54 HydrophobicContact CG-CG2 4.31Å; F29-Y58 HydrophobicContact CE2-CD2 4.02Å; F29-Y58 HydrophobicContact CZ-CD2 4.39Å; F29-C368 HydrophobicContact CD1-CB 3.94Å; F29-C368 HydrophobicContact CE1-CB 4.37Å; F29-L372 HydrophobicContact CE1-CD1 4.42Å; F29-L372 HydrophobicContact CE1-CD2 4.44Å; F29-L372 HydrophobicContact CE1-CG 4.08Å; F29-L372 HydrophobicContact CZ-CD1 4.31Å; F29-L372 HydrophobicContact CZ-CD2 3.74Å; F29-L372 HydrophobicContact CZ-CG 3.89Å; F29-P384 HydrophobicContact CE1-CB 4.05Å; F29-P384 HydrophobicContact CE1-CG 4.49Å; F29-P384 HydrophobicContact CE2-CB 4.24Å; F29-P384 HydrophobicContact CE2-CG 4.46Å; F29-P384 HydrophobicContact CZ-CB 3.61Å; F29-P384 HydrophobicContact CZ-CG 3.75Å; F29-L390 HydrophobicContact CD1-CD1 3.9Å; F29-L390 HydrophobicContact CD1-CD2 3.58Å; F29-L390 HydrophobicContact CD1-CG 4.37Å; F29-L390 HydrophobicContact CE1-CD2 3.57Å; F29-L390 HydrophobicContact CZ-CD2 4.49Å |
| 30 | S | 95 | Very high | 92.3 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -151.4 | 168.2 | -179 | 65.3 | 0 | 0 | 0 | 0 | 109.9 | C27 E32 K394 | C27-S30 CarbonylContact C-O 3.51Å; C27-S30 WeakPolarHBondContact CB-O 3.49Å; C27-S30 PolarHBondContact SG-N 3.27Å; C27-S30 PolarHBondContact SG-OG 2.98Å; C27-S30 VanDerWaalsContact SG-OG 3.36Å; S30-E32 PolarHBondContact O-N 3.18Å; S30-E32 WeakPolarHBondContact OG-CG 3.22Å; S30-E32 PolarHBondContact OG-N 3.42Å; S30-E32 PolarHBondContact OG-OE2 3.04Å; S30-K394 WeakPolarHBondContact O-CE 3.49Å; S30-K394 PolarHBondContact O-NZ 3.09Å |
| 31 | F | 94.2 | Very high | 92.9 | Very high | 24 Ų | 24 | 31.9 Ų | 31.9 | 11% | 0.105 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -86.2 | 28.5 | 172.1 | -67.4 | -72.7 | 0 | 0 | 0 | 112.7 | K394 L395 H404 I427 | F31-K394 VanDerWaalsContact CD1-CE 3.48Å; F31-K394 HydrophobicContact CD2-CG 4.36Å; F31-K394 HydrophobicContact CE2-CG 3.88Å; F31-K394 WeakPolarHBondContact CE2-O 3.34Å; F31-K394 HydrophobicContact CZ-CD 4.41Å; F31-K394 HydrophobicContact CZ-CG 3.95Å; F31-L395 HydrophobicContact CZ-CD1 4.27Å; F31-H404 AromaticContact CD2-NE2 3.79Å; F31-I427 HydrophobicContact CD1-CG2 3.8Å; F31-I427 HydrophobicContact CD2-CD1 4.02Å; F31-I427 HydrophobicContact CD2-CG1 4.03Å; F31-I427 HydrophobicContact CD2-CG2 4.15Å; F31-I427 HydrophobicContact CE1-CG2 3.3Å; F31-I427 HydrophobicContact CE2-CD1 3.77Å; F31-I427 HydrophobicContact CE2-CG1 4.09Å; F31-I427 HydrophobicContact CE2-CG2 3.68Å; F31-I427 HydrophobicContact CG-CG1 4.4Å; F31-I427 HydrophobicContact CG-CG2 4.21Å; F31-I427 HydrophobicContact CZ-CB 4.47Å; F31-I427 HydrophobicContact CZ-CD1 4.4Å; F31-I427 HydrophobicContact CZ-CG2 3.23Å |
| 32 | E | 94.2 | Very high | 93.4 | Very high | 19 Ų | 19 | 27.1 Ų | 27.1 | 9% | 0.089 | 13% | 0.132 | C | C | . | . | trans | -71.1 | 128.9 | 170.8 | -72.5 | 173.6 | 93.6 | 0 | 0 | 110 | C27 S30 I40 G51 S52 K53 | C27-E32 HydrophobicContact CB-CB 4.29Å; C27-E32 PolarHBondContact N-O 2.92Å; S30-E32 PolarHBondContact O-N 3.18Å; S30-E32 WeakPolarHBondContact OG-CG 3.22Å; S30-E32 PolarHBondContact OG-N 3.42Å; S30-E32 PolarHBondContact OG-OE2 3.04Å; E32-I40 HydrophobicContact CB-CG2 4.23Å; E32-I40 WeakPolarHBondContact O-CG2 3.2Å; E32-G51 VanDerWaalsContact OE2-CA 3.29Å; E32-G51 WeakPolarHBondContact OE2-CA 3.31Å; E32-S52 VanDerWaalsContact CD-N 3.34Å; E32-S52 WeakPolarHBondContact OE1-CB 3.42Å; E32-S52 PolarHBondContact OE1-N 3.1Å; E32-S52 PolarHBondContact OE1-OG 2.84Å; E32-S52 PolarHBondContact OE2-N 2.99Å; E32-K53 PolarHBondContact OE2-N 2.91Å | ||
| 33 | T | 92.6 | Very high | 93.6 | Very high | 34 Ų | 34 | 27 Ų | 27 | 21% | 0.209 | 13% | 0.131 | C | C | . | . | trans | -125.5 | 169.1 | -178.9 | 68.6 | 0 | 0 | 0 | 0 | 109.4 | E35 T36 | T33-E35 PolarHBondContact O-N 2.92Å; T33-E35 VanDerWaalsContact O-N 3.1Å; T33-E35 PolarHBondContact OG1-N 2.65Å; T33-T36 WeakPolarHBondContact O-CB 3.38Å; T33-T36 PolarHBondContact O-N 3.45Å; T33-T36 PolarHBondContact O-OG1 2.93Å | ||
| 34 | P | 93.3 | Very high | 93.8 | Very high | 8 Ų | 8 | 26.7 Ų | 26.7 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -15 | 176.9 | 11.2 | -14.2 | 0 | 0 | 0 | 114.1 | D25 T36 I40 Y70 K71 I72 | D25-P34 WeakPolarHBondContact O-CD 3.48Å; P34-T36 VanDerWaalsContact C-N 3.3Å; P34-I40 HydrophobicContact CB-CD1 4.17Å; P34-I40 HydrophobicContact CB-CG1 4.01Å; P34-I40 HydrophobicContact CG-CD1 3.85Å; P34-I40 HydrophobicContact CG-CG1 4.23Å; P34-Y70 HydrophobicContact CB-CD1 3.61Å; P34-Y70 HydrophobicContact CB-CE1 3.83Å; P34-Y70 HydrophobicContact CB-CG 4.16Å; P34-Y70 HydrophobicContact CG-CD1 3.71Å; P34-Y70 HydrophobicContact CG-CE1 3.66Å; P34-K71 CarbonylContact O-C 3.4Å; P34-K71 VanDerWaalsContact O-CA 3.3Å; P34-K71 WeakPolarHBondContact O-CA 3.49Å; P34-I72 HydrophobicContact CB-CD1 4.43Å; P34-I72 HydrophobicContact CB-CG1 4.09Å; P34-I72 HydrophobicContact CB-CG2 4.15Å; P34-I72 HydrophobicContact CG-CD1 4.36Å; P34-I72 PolarHBondContact O-N 3.47Å |
| 35 | E | 89.9 | Confident | 93.9 | Very high | 51 Ų | 51 | 30 Ų | 30 | 24% | 0.238 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18.3 | 173.8 | -63.5 | 177.1 | -143.5 | 0 | 0 | 112.8 | T33 I72 K74 I423 | T33-E35 PolarHBondContact O-N 2.92Å; T33-E35 VanDerWaalsContact O-N 3.1Å; T33-E35 PolarHBondContact OG1-N 2.65Å; E35-I72 HydrophobicContact CB-CG1 4.46Å; E35-I72 HydrophobicContact CG-CD1 3.69Å; E35-I72 HydrophobicContact CG-CG1 3.62Å; E35-K74 VanDerWaalsContact OE1-CE 3.23Å; E35-K74 WeakPolarHBondContact OE1-CE 3.42Å; E35-K74 IonicContact OE1-NZ 2.78Å; E35-K74 PolarHBondContact OE1-NZ 3.12Å; E35-K74 IonicContact OE2-NZ 2.58Å; E35-I423 HydrophobicContact CB-CD1 4.43Å; E35-I423 HydrophobicContact CB-CG1 4.49Å |
| 36 | T | 90.8 | Very high | 94.1 | Very high | 30 Ų | 30 | 30.8 Ų | 30.8 | 18% | 0.184 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -66.4 | 155.3 | 179.4 | 62.4 | 0 | 0 | 0 | 0 | 111.6 | T33 P34 K38 G39 | T33-T36 WeakPolarHBondContact O-CB 3.38Å; T33-T36 PolarHBondContact O-N 3.45Å; T33-T36 PolarHBondContact O-OG1 2.93Å; P34-T36 VanDerWaalsContact C-N 3.3Å; T36-K38 PolarHBondContact O-N 3.15Å; T36-G39 PolarHBondContact O-N 3.42Å |
| 37 | E | 89.3 | Confident | 94.2 | Very high | 168 Ų | 168 | 30.2 Ų | 30.2 | 79% | 0.785 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -41.1 | -172.3 | -173.3 | -175.5 | 174.2 | 0 | 0 | 113.7 | K71 | E37-K71 WeakPolarHBondContact O-CE 3.33Å; E37-K71 PolarHBondContact O-NZ 3.41Å |
| 38 | K | 92.8 | Very high | 94.1 | Very high | 120 Ų | 120 | 30.3 Ų | 30.3 | 52% | 0.522 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -5 | -179 | -67 | -176.7 | 178 | 179.1 | 0 | 114 | T36 S52 | T36-K38 PolarHBondContact O-N 3.15Å; K38-S52 WeakPolarHBondContact CD-OG 3.32Å |
| 39 | G | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | 58.3 | -159.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T36 Y70 | T36-G39 PolarHBondContact O-N 3.42Å; G39-Y70 WeakPolarHBondContact CA-O 3.5Å | ||
| 40 | I | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 156.1 | -179.7 | 48.1 | 163.1 | 0 | 0 | 0 | 110.7 | K24 E32 P34 A49 R69 Y70 | K24-I40 WeakPolarHBondContact O-CD1 3.36Å; E32-I40 HydrophobicContact CB-CG2 4.23Å; E32-I40 WeakPolarHBondContact O-CG2 3.2Å; P34-I40 HydrophobicContact CB-CD1 4.17Å; P34-I40 HydrophobicContact CB-CG1 4.01Å; P34-I40 HydrophobicContact CG-CD1 3.85Å; P34-I40 HydrophobicContact CG-CG1 4.23Å; I40-A49 HydrophobicContact CB-CB 4.15Å; I40-A49 HydrophobicContact CD1-CB 3.49Å; I40-A49 VanDerWaalsContact CD1-CB 3.49Å; I40-A49 HydrophobicContact CG1-CB 4.28Å; I40-R69 CarbonylContact O-C 3.41Å; I40-R69 VanDerWaalsContact O-CA 3.26Å; I40-R69 WeakPolarHBondContact O-CA 3.34Å; I40-Y70 HydrophobicContact CD1-CD1 4.28Å; I40-Y70 WeakPolarHBondContact CG1-O 3.45Å; I40-Y70 PolarHBondContact N-O 2.94Å; I40-Y70 PolarHBondContact O-N 3.42Å |
| 41 | Y | 97.5 | Very high | 94.2 | Very high | 28 Ų | 28 | 29.2 Ų | 29.2 | 11% | 0.11 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 102 | -171.9 | -61.8 | -101.8 | 0 | 0 | 0 | 109.8 | C43 I50 L55 R69 V114 | Y41-C43 PolarHBondContact O-N 3.32Å; Y41-I50 PolarHBondContact N-O 3.41Å; Y41-I50 PolarHBondContact O-N 3.02Å; Y41-L55 HydrophobicContact CD1-CD2 3.69Å; Y41-L55 HydrophobicContact CD2-CD2 3.86Å; Y41-L55 HydrophobicContact CE1-CD2 3.93Å; Y41-L55 HydrophobicContact CE2-CD2 4.13Å; Y41-L55 HydrophobicContact CG-CD1 4.12Å; Y41-L55 HydrophobicContact CG-CD2 3.66Å; Y41-L55 HydrophobicContact CG-CG 4.49Å; Y41-R69 HydrophobicContact CD1-CB 4.02Å; Y41-R69 HydrophobicContact CD1-CG 4.28Å; Y41-R69 HydrophobicContact CE1-CB 4.05Å; Y41-R69 HydrophobicContact CE1-CG 4Å; Y41-V114 HydrophobicContact CD1-CB 4.37Å; Y41-V114 HydrophobicContact CD1-CG1 4.41Å; Y41-V114 HydrophobicContact CD1-CG2 4.28Å; Y41-V114 HydrophobicContact CE1-CB 4.46Å; Y41-V114 HydrophobicContact CE1-CG1 4.25Å; Y41-V114 HydrophobicContact CE1-CG2 4.07Å |
| 42 | I | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 117.5 | -179.4 | -53.8 | 169.9 | 0 | 0 | 0 | 108.9 | K24 M44 A49 F67 L68 W111 I155 | K24-I42 HydrophobicContact CB-CD1 3.54Å; K24-I42 HydrophobicContact CB-CG1 4.17Å; I42-M44 PolarHBondContact O-N 3.47Å; I42-A49 HydrophobicContact CG1-CB 4.31Å; I42-F67 CarbonylContact O-C 3.59Å; I42-F67 VanDerWaalsContact O-CA 3.28Å; I42-F67 WeakPolarHBondContact O-CA 3.45Å; I42-L68 WeakPolarHBondContact CB-O 3.49Å; I42-L68 PolarHBondContact N-O 2.89Å; I42-L68 PolarHBondContact O-N 3.41Å; I42-W111 HydrophobicContact CD1-CH2 4.23Å; I42-W111 HydrophobicContact CD1-CZ3 3.8Å; I42-I155 HydrophobicContact CD1-CG2 3.81Å; I42-I155 HydrophobicContact CG2-CG2 4.19Å |
| 43 | C | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 118.3 | 173.3 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | Y41 R45 H46 F47 V48 Y58 F67 | Y41-C43 PolarHBondContact O-N 3.32Å; C43-R45 PolarHBondContact O-N 2.58Å; C43-R45 VanDerWaalsContact O-N 3.13Å; C43-H46 HydrophobicContact CB-CB 4.41Å; C43-H46 PolarHBondContact O-N 2.67Å; C43-H46 PolarHBondContact SG-ND1 3.18Å; C43-F47 VanDerWaalsContact O-CA 3.26Å; C43-F47 WeakPolarHBondContact O-CA 3.31Å; C43-F47 PolarHBondContact O-N 3.21Å; C43-V48 PolarHBondContact N-O 3.06Å; C43-Y58 HydrophobicContact CB-CE1 4Å; C43-F67 HydrophobicContact CB-CD1 4.22Å; C43-F67 HydrophobicContact CB-CE1 3.96Å |
| 44 | M | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 4.3 | -176.5 | -62.8 | -173.1 | 74.2 | 0 | 0 | 114.3 | V13 R14 I42 F47 A66 L68 L113 L148 I152 I155 | V13-M44 HydrophobicContact CB-CB 4.43Å; V13-M44 HydrophobicContact CG1-CB 4.15Å; V13-M44 HydrophobicContact CG1-CE 3.87Å; V13-M44 HydrophobicContact CG2-CB 3.77Å; V13-M44 HydrophobicContact CG2-CE 4.06Å; V13-M44 HydrophobicContact CG2-SD 4.01Å; R14-M44 PolarHBondContact N-O 2.77Å; I42-M44 PolarHBondContact O-N 3.47Å; M44-F47 WeakPolarHBondContact O-CE1 3.43Å; M44-A66 HydrophobicContact CB-CB 4.34Å; M44-A66 PolarHBondContact N-O 3.39Å; M44-A66 VanDerWaalsContact N-O 3.13Å; M44-A66 HydrophobicContact SD-CB 4.33Å; M44-L68 HydrophobicContact CG-CB 4.19Å; M44-L68 HydrophobicContact SD-CB 4.32Å; M44-L113 HydrophobicContact SD-CD1 3.53Å; M44-L113 VanDerWaalsContact SD-CD1 3.53Å; M44-L148 HydrophobicContact CE-CD1 3.78Å; M44-L148 HydrophobicContact SD-CD1 4.26Å; M44-I152 HydrophobicContact CE-CD1 4.42Å; M44-I152 HydrophobicContact CE-CG1 3.52Å; M44-I155 HydrophobicContact CB-CD1 4.49Å; M44-I155 HydrophobicContact CE-CD1 4.22Å; M44-I155 HydrophobicContact CG-CD1 4.17Å |
| 45 | R | 93.9 | Very high | 94.2 | Very high | 83 Ų | 83 | 36.5 Ų | 36.5 | 31% | 0.313 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -43.5 | 173.1 | -173.3 | -178.9 | -64 | 177.3 | 2.5 | 111.9 | Q12 R14 C43 | Q12-R45 PolarHBondContact O-NE 2.88Å; R14-R45 PolarHBondContact NE-O 3.13Å; R14-R45 PolarHBondContact NH2-O 3.39Å; C43-R45 PolarHBondContact O-N 2.58Å; C43-R45 VanDerWaalsContact O-N 3.13Å |
| 46 | H | 93.1 | Very high | 94.4 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 22% | 0.222 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -9.7 | -172.4 | -52.2 | 129.5 | 0 | 0 | 0 | 113.8 | C43 V48 Y58 C64 F375 | C43-H46 HydrophobicContact CB-CB 4.41Å; C43-H46 PolarHBondContact O-N 2.67Å; C43-H46 PolarHBondContact SG-ND1 3.18Å; H46-V48 VanDerWaalsContact C-N 3.26Å; H46-V48 PolarHBondContact O-N 3.47Å; H46-Y58 AromaticContact ND1-CZ 3.9Å; H46-Y58 PolarHBondContact ND1-OH 3.36Å; H46-C64 PolarHBondContact CE1-SG 2.99Å; H46-F375 HydrophobicContact CB-CZ 4.01Å; H46-F375 AromaticContact CD2-CZ 3.63Å; H46-F375 AromaticContact CE1-CE1 3.8Å; H46-F375 AromaticContact CE1-CZ 3.85Å; H46-F375 AromaticContact CG-CZ 3.55Å; H46-F375 AromaticContact ND1-CE1 3.74Å; H46-F375 AromaticContact ND1-CZ 3.71Å; H46-F375 AromaticContact NE2-CZ 3.87Å |
| 47 | F | 94.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | 58.4 | 33.1 | 177.8 | -46.4 | -50.7 | 0 | 0 | 0 | 114.9 | R14 P16 E20 V22 F23 C43 M44 I155 | R14-F47 HydrophobicContact CB-CZ 3.89Å; R14-F47 HydrophobicContact CG-CZ 4.21Å; R14-F47 VanDerWaalsContact NH2-CD2 3.35Å; R14-F47 WeakPolarHBondContact O-CZ 3.27Å; P16-F47 HydrophobicContact CB-CD2 4.5Å; P16-F47 HydrophobicContact CB-CE2 3.99Å; P16-F47 HydrophobicContact CB-CZ 4.04Å; P16-F47 HydrophobicContact CG-CD1 4.15Å; P16-F47 HydrophobicContact CG-CD2 4.46Å; P16-F47 HydrophobicContact CG-CE1 3.64Å; P16-F47 HydrophobicContact CG-CE2 3.94Å; P16-F47 HydrophobicContact CG-CZ 3.52Å; E20-F47 HydrophobicContact CG-CD2 4.19Å; E20-F47 WeakPolarHBondContact OE2-CE2 3.4Å; V22-F47 HydrophobicContact CB-CB 4.44Å; V22-F47 HydrophobicContact CG1-CB 4.32Å; V22-F47 HydrophobicContact CG2-CB 4.14Å; V22-F47 HydrophobicContact CG2-CG 4.45Å; F23-F47 PolarHBondContact N-O 3.25Å; C43-F47 VanDerWaalsContact O-CA 3.26Å; C43-F47 WeakPolarHBondContact O-CA 3.31Å; C43-F47 PolarHBondContact O-N 3.21Å; M44-F47 WeakPolarHBondContact O-CE1 3.43Å; F47-I155 HydrophobicContact CD1-CD1 4.04Å; F47-I155 HydrophobicContact CD1-CG1 4.2Å; F47-I155 HydrophobicContact CE1-CD1 4.06Å; F47-I155 HydrophobicContact CE1-CG1 4.36Å | ||
| 48 | V | 94.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -113.7 | 131.4 | 174.2 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | F23 P28 C43 H46 I50 L383 V385 | F23-V48 HydrophobicContact CD2-CG2 4.26Å; P28-V48 HydrophobicContact CG-CG1 3.78Å; C43-V48 PolarHBondContact N-O 3.06Å; H46-V48 VanDerWaalsContact C-N 3.26Å; H46-V48 PolarHBondContact O-N 3.47Å; V48-I50 HydrophobicContact CG1-CD1 4.12Å; V48-L383 HydrophobicContact CG2-CD2 4.14Å; V48-V385 HydrophobicContact CG1-CG1 4.1Å |
| 49 | A | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F23 C27 P28 I40 I42 | F23-A49 WeakPolarHBondContact O-CB 3.25Å; F23-A49 PolarHBondContact O-N 3.37Å; C27-A49 WeakPolarHBondContact CA-O 3.18Å; P28-A49 WeakPolarHBondContact CD-O 3.47Å; I40-A49 HydrophobicContact CB-CB 4.15Å; I40-A49 HydrophobicContact CD1-CB 3.49Å; I40-A49 VanDerWaalsContact CD1-CB 3.49Å; I40-A49 HydrophobicContact CG1-CB 4.28Å; I42-A49 HydrophobicContact CG1-CB 4.31Å |
| 50 | I | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.1 | 178.8 | -47.2 | -58.1 | 0 | 0 | 0 | 109.1 | F29 Y41 V48 L55 Y58 F67 | F29-I50 HydrophobicContact CD2-CD1 4.49Å; F29-I50 HydrophobicContact CE2-CD1 4Å; Y41-I50 PolarHBondContact N-O 3.41Å; Y41-I50 PolarHBondContact O-N 3.02Å; V48-I50 HydrophobicContact CG1-CD1 4.12Å; I50-L55 HydrophobicContact CB-CD1 4.25Å; I50-L55 HydrophobicContact CG2-CB 4.34Å; I50-L55 HydrophobicContact CG2-CD1 4.31Å; I50-Y58 HydrophobicContact CD1-CD1 4.45Å; I50-Y58 HydrophobicContact CD1-CD2 3.49Å; I50-Y58 VanDerWaalsContact CD1-CD2 3.49Å; I50-Y58 HydrophobicContact CD1-CE1 4.46Å; I50-Y58 HydrophobicContact CD1-CE2 3.53Å; I50-Y58 HydrophobicContact CD1-CG 3.99Å; I50-Y58 HydrophobicContact CG1-CD1 4.03Å; I50-Y58 HydrophobicContact CG1-CD2 3.94Å; I50-Y58 HydrophobicContact CG1-CE1 4.21Å; I50-Y58 HydrophobicContact CG1-CE2 4.14Å; I50-Y58 HydrophobicContact CG1-CG 3.9Å; I50-Y58 HydrophobicContact CG2-CG 4.26Å; I50-F67 HydrophobicContact CG1-CE1 4.46Å |
| 51 | G | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -69.8 | 155.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C27 E32 K53 T54 L55 | C27-G51 PolarHBondContact SG-N 3.48Å; E32-G51 VanDerWaalsContact OE2-CA 3.29Å; E32-G51 WeakPolarHBondContact OE2-CA 3.31Å; G51-K53 PolarHBondContact O-N 2.87Å; G51-T54 PolarHBondContact O-N 3.47Å; G51-L55 WeakPolarHBondContact O-CB 3.48Å; G51-L55 PolarHBondContact O-N 3.15Å | ||
| 52 | S | 94.3 | Very high | 94.7 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 22% | 0.217 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.9 | -176.5 | 68.7 | 0 | 0 | 0 | 0 | 113 | E32 K38 | E32-S52 VanDerWaalsContact CD-N 3.34Å; E32-S52 WeakPolarHBondContact OE1-CB 3.42Å; E32-S52 PolarHBondContact OE1-N 3.1Å; E32-S52 PolarHBondContact OE1-OG 2.84Å; E32-S52 PolarHBondContact OE2-N 2.99Å; K38-S52 WeakPolarHBondContact CD-OG 3.32Å |
| 53 | K | 91.4 | Very high | 94.5 | Very high | 169 Ų | 169 | 42.6 Ų | 42.6 | 74% | 0.735 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -33.7 | -179 | -65.2 | -178.5 | -179.9 | -179.3 | 0 | 113.1 | E32 G51 | E32-K53 PolarHBondContact OE2-N 2.91Å; G51-K53 PolarHBondContact O-N 2.87Å |
| 54 | T | 93.9 | Very high | 94.4 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 13% | 0.129 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -5.2 | -176 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | F29 G51 R56 L57 Y58 | F29-T54 HydrophobicContact CB-CG2 3.68Å; F29-T54 HydrophobicContact CG-CG2 4.31Å; G51-T54 PolarHBondContact O-N 3.47Å; T54-R56 VanDerWaalsContact C-N 3.3Å; T54-R56 PolarHBondContact O-N 3.15Å; T54-L57 PolarHBondContact O-N 2.93Å; T54-Y58 WeakPolarHBondContact O-CB 3.4Å; T54-Y58 PolarHBondContact O-N 3.12Å |
| 55 | L | 95.5 | Very high | 94.3 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.1 | -42.8 | -178.6 | -177.7 | 61.3 | 0 | 0 | 0 | 113.6 | Y41 I50 G51 Y59 F67 L116 | Y41-L55 HydrophobicContact CD1-CD2 3.69Å; Y41-L55 HydrophobicContact CD2-CD2 3.86Å; Y41-L55 HydrophobicContact CE1-CD2 3.93Å; Y41-L55 HydrophobicContact CE2-CD2 4.13Å; Y41-L55 HydrophobicContact CG-CD1 4.12Å; Y41-L55 HydrophobicContact CG-CD2 3.66Å; Y41-L55 HydrophobicContact CG-CG 4.49Å; I50-L55 HydrophobicContact CB-CD1 4.25Å; I50-L55 HydrophobicContact CG2-CB 4.34Å; I50-L55 HydrophobicContact CG2-CD1 4.31Å; G51-L55 WeakPolarHBondContact O-CB 3.48Å; G51-L55 PolarHBondContact O-N 3.15Å; L55-Y59 PolarHBondContact O-N 3.48Å; L55-F67 HydrophobicContact CD1-CD1 3.86Å; L55-F67 HydrophobicContact CD1-CD2 4.44Å; L55-F67 HydrophobicContact CD1-CE1 3.67Å; L55-F67 HydrophobicContact CD1-CE2 4.28Å; L55-F67 HydrophobicContact CD1-CG 4.25Å; L55-F67 HydrophobicContact CD1-CZ 3.9Å; L55-L116 HydrophobicContact CD1-CD1 3.83Å; L55-L116 HydrophobicContact CD2-CD1 3.98Å; L55-L116 HydrophobicContact CG-CD1 3.61Å |
| 56 | R | 94.1 | Very high | 94.3 | Very high | 181 Ų | 181 | 41 Ų | 41 | 68% | 0.683 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -67.3 | -47.6 | -179.9 | -178 | 172.5 | -179.7 | 147.2 | 0.7 | 112.1 | T54 Y58 Y59 E60 | T54-R56 VanDerWaalsContact C-N 3.3Å; T54-R56 PolarHBondContact O-N 3.15Å; R56-Y58 VanDerWaalsContact C-N 3.3Å; R56-Y58 PolarHBondContact O-N 3.37Å; R56-Y59 WeakPolarHBondContact O-CB 3.31Å; R56-Y59 PolarHBondContact O-N 2.63Å; R56-E60 HydrophobicContact CG-CG 4.47Å; R56-E60 WeakPolarHBondContact CG-OE1 3.41Å; R56-E60 IonicContact CZ-OE1 3.66Å; R56-E60 IonicContact NE-OE1 3.78Å; R56-E60 PolarHBondContact NE-OE1 3.05Å; R56-E60 IonicContact NH2-OE1 2.93Å; R56-E60 WeakPolarHBondContact O-CG 3.28Å; R56-E60 PolarHBondContact O-N 3.41Å |
| 57 | L | 94.4 | Very high | 94.5 | Very high | 48 Ų | 48 | 38.7 Ų | 38.7 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 176.8 | 177.7 | 63.7 | 0 | 0 | 0 | 110.9 | T54 Y59 E60 K61 C368 E369 L372 | T54-L57 PolarHBondContact O-N 2.93Å; L57-Y59 PolarHBondContact O-N 3.15Å; L57-E60 PolarHBondContact O-N 3.46Å; L57-K61 HydrophobicContact CD1-CG 4.2Å; L57-K61 PolarHBondContact O-N 3.39Å; L57-C368 HydrophobicContact CD2-CB 4.29Å; L57-E369 HydrophobicContact CD2-CG 4.42Å; L57-L372 HydrophobicContact CD2-CD1 4.02Å; L57-L372 HydrophobicContact CG-CD1 3.8Å |
| 58 | Y | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -46 | 176.1 | -174.8 | -86.2 | 0 | 0 | 0 | 112 | F29 C43 H46 I50 T54 R56 T62 C64 F67 L372 F375 | F29-Y58 HydrophobicContact CE2-CD2 4.02Å; F29-Y58 HydrophobicContact CZ-CD2 4.39Å; C43-Y58 HydrophobicContact CB-CE1 4Å; H46-Y58 AromaticContact ND1-CZ 3.9Å; H46-Y58 PolarHBondContact ND1-OH 3.36Å; I50-Y58 HydrophobicContact CD1-CD1 4.45Å; I50-Y58 HydrophobicContact CD1-CD2 3.49Å; I50-Y58 VanDerWaalsContact CD1-CD2 3.49Å; I50-Y58 HydrophobicContact CD1-CE1 4.46Å; I50-Y58 HydrophobicContact CD1-CE2 3.53Å; I50-Y58 HydrophobicContact CD1-CG 3.99Å; I50-Y58 HydrophobicContact CG1-CD1 4.03Å; I50-Y58 HydrophobicContact CG1-CD2 3.94Å; I50-Y58 HydrophobicContact CG1-CE1 4.21Å; I50-Y58 HydrophobicContact CG1-CE2 4.14Å; I50-Y58 HydrophobicContact CG1-CG 3.9Å; I50-Y58 HydrophobicContact CG2-CG 4.26Å; T54-Y58 WeakPolarHBondContact O-CB 3.4Å; T54-Y58 PolarHBondContact O-N 3.12Å; R56-Y58 VanDerWaalsContact C-N 3.3Å; R56-Y58 PolarHBondContact O-N 3.37Å; Y58-T62 HydrophobicContact CD1-CG2 4.26Å; Y58-T62 HydrophobicContact CD2-CG2 4.24Å; Y58-T62 HydrophobicContact CE1-CG2 3.99Å; Y58-T62 WeakPolarHBondContact CE1-OG1 3.34Å; Y58-T62 HydrophobicContact CE2-CG2 3.95Å; Y58-T62 HydrophobicContact CG-CG2 4.38Å; Y58-T62 WeakPolarHBondContact O-CB 2.96Å; Y58-T62 WeakPolarHBondContact O-CG2 3.41Å; Y58-T62 PolarHBondContact O-N 3.29Å; Y58-T62 PolarHBondContact O-OG1 3.4Å; Y58-C64 HydrophobicContact CE1-CB 4.24Å; Y58-F67 AromaticContact CD1-CE1 3.99Å; Y58-F67 HydrophobicContact CD1-CE1 3.99Å; Y58-F67 AromaticContact CD1-CZ 3.99Å; Y58-F67 HydrophobicContact CD1-CZ 3.99Å; Y58-F67 HydrophobicContact CE1-CE1 4.09Å; Y58-F67 HydrophobicContact CE1-CZ 4.27Å; Y58-L372 HydrophobicContact CD2-CD2 3.67Å; Y58-L372 HydrophobicContact CE2-CD2 4.1Å; Y58-F375 HydrophobicContact CE2-CE1 4.36Å |
| 59 | Y | 94.6 | Very high | 94.8 | Very high | 56 Ų | 56 | 42.2 Ų | 42.2 | 22% | 0.22 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 174.9 | 155.6 | -106.5 | 0 | 0 | 0 | 111.9 | L55 R56 L57 K61 G63 C64 R65 L116 P117 | L55-Y59 PolarHBondContact O-N 3.48Å; R56-Y59 WeakPolarHBondContact O-CB 3.31Å; R56-Y59 PolarHBondContact O-N 2.63Å; L57-Y59 PolarHBondContact O-N 3.15Å; Y59-K61 PolarHBondContact O-N 2.97Å; Y59-G63 VanDerWaalsContact O-CA 3.28Å; Y59-G63 WeakPolarHBondContact O-CA 3.49Å; Y59-G63 PolarHBondContact O-N 3.05Å; Y59-C64 WeakPolarHBondContact CD2-O 3.34Å; Y59-R65 HydrophobicContact CD2-CG 4.14Å; Y59-R65 HydrophobicContact CE2-CG 3.68Å; Y59-L116 HydrophobicContact CD2-CB 4.18Å; Y59-L116 HydrophobicContact CG-CB 4.2Å; Y59-L116 HydrophobicContact CG-CD1 4.4Å; Y59-P117 HydrophobicContact CE1-CB 3.9Å; Y59-P117 HydrophobicContact CE1-CG 4.35Å; Y59-P117 WeakPolarHBondContact OH-CD 3.42Å |
| 60 | E | 94.7 | Very high | 94.8 | Very high | 110 Ų | 110 | 43 Ų | 43 | 51% | 0.514 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.2 | -38.3 | -178.2 | -73.4 | 170.8 | -179 | 0 | 0 | 112.1 | R56 L57 | R56-E60 HydrophobicContact CG-CG 4.47Å; R56-E60 WeakPolarHBondContact CG-OE1 3.41Å; R56-E60 IonicContact CZ-OE1 3.66Å; R56-E60 IonicContact NE-OE1 3.78Å; R56-E60 PolarHBondContact NE-OE1 3.05Å; R56-E60 IonicContact NH2-OE1 2.93Å; R56-E60 WeakPolarHBondContact O-CG 3.28Å; R56-E60 PolarHBondContact O-N 3.41Å; L57-E60 PolarHBondContact O-N 3.46Å |
| 61 | K | 94.1 | Very high | 94.8 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 30% | 0.304 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -78.1 | -42.1 | 178.2 | -71.2 | -77.5 | -169.8 | 165.6 | 0 | 113.3 | L57 Y59 L372 D373 | L57-K61 HydrophobicContact CD1-CG 4.2Å; L57-K61 PolarHBondContact O-N 3.39Å; Y59-K61 PolarHBondContact O-N 2.97Å; K61-L372 HydrophobicContact CB-CB 4.1Å; K61-L372 HydrophobicContact CB-CD1 4.24Å; K61-L372 HydrophobicContact CD-CB 4.49Å; K61-L372 HydrophobicContact CG-CB 4.05Å; K61-L372 HydrophobicContact CG-CD1 4Å; K61-D373 IonicContact NZ-OD1 3.16Å; K61-D373 PolarHBondContact NZ-OD1 3.45Å; K61-D373 IonicContact NZ-OD2 3.65Å; K61-D373 PolarHBondContact NZ-OD2 3.35Å |
| 62 | T | 93.4 | Very high | 94.6 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -96.5 | -14.8 | -172 | 67.2 | 0 | 0 | 0 | 0 | 114.4 | Y58 C64 L372 F375 T376 | Y58-T62 HydrophobicContact CD1-CG2 4.26Å; Y58-T62 HydrophobicContact CD2-CG2 4.24Å; Y58-T62 HydrophobicContact CE1-CG2 3.99Å; Y58-T62 WeakPolarHBondContact CE1-OG1 3.34Å; Y58-T62 HydrophobicContact CE2-CG2 3.95Å; Y58-T62 HydrophobicContact CG-CG2 4.38Å; Y58-T62 WeakPolarHBondContact O-CB 2.96Å; Y58-T62 WeakPolarHBondContact O-CG2 3.41Å; Y58-T62 PolarHBondContact O-N 3.29Å; Y58-T62 PolarHBondContact O-OG1 3.4Å; T62-C64 PolarHBondContact O-N 3.43Å; T62-C64 WeakPolarHBondContact OG1-CB 3.29Å; T62-C64 PolarHBondContact OG1-N 3.45Å; T62-L372 HydrophobicContact CG2-CD2 4.27Å; T62-F375 HydrophobicContact CG2-CD1 4.03Å; T62-F375 HydrophobicContact CG2-CE1 3.91Å; T62-T376 HydrophobicContact CG2-CG2 4.03Å |
| 63 | G | 93 | Very high | 94.4 | Very high | 40 Ų | 40 | 49 Ų | 49 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | trans | 66.1 | 9.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y59 R65 | Y59-G63 VanDerWaalsContact O-CA 3.28Å; Y59-G63 WeakPolarHBondContact O-CA 3.49Å; Y59-G63 PolarHBondContact O-N 3.05Å; G63-R65 PolarHBondContact O-N 3.28Å | ||
| 64 | C | 93.5 | Very high | 94.1 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.02 | 20% | 0.197 | C | C | . | . | trans | -76.1 | 123.1 | -178.4 | -70.8 | 0 | 0 | 0 | 0 | 111.5 | H46 Y58 Y59 T62 F67 | H46-C64 PolarHBondContact CE1-SG 2.99Å; Y58-C64 HydrophobicContact CE1-CB 4.24Å; Y59-C64 WeakPolarHBondContact CD2-O 3.34Å; T62-C64 PolarHBondContact O-N 3.43Å; T62-C64 WeakPolarHBondContact OG1-CB 3.29Å; T62-C64 PolarHBondContact OG1-N 3.45Å; C64-F67 HydrophobicContact CB-CZ 4.17Å; C64-F67 WeakPolarHBondContact O-CE2 3.44Å; C64-F67 WeakPolarHBondContact O-CZ 3.42Å | ||
| 65 | R | 93.7 | Very high | 93.6 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 16% | 0.158 | 21% | 0.21 | C | C | . | . | trans | -107.8 | -18.2 | -176.1 | -61.1 | 175 | 66 | -149.8 | -2.2 | 114.8 | D8 Q12 Y59 G63 R115 L116 Q118 | D8-R65 IonicContact OD1-NH1 3.51Å; D8-R65 IonicContact OD2-CZ 3.73Å; D8-R65 IonicContact OD2-NH1 3.42Å; D8-R65 PolarHBondContact OD2-NH1 2.89Å; D8-R65 IonicContact OD2-NH2 3.96Å; Q12-R65 VanDerWaalsContact OE1-CB 3.26Å; Y59-R65 HydrophobicContact CD2-CG 4.14Å; Y59-R65 HydrophobicContact CE2-CG 3.68Å; G63-R65 PolarHBondContact O-N 3.28Å; R65-R115 CarbonylContact O-C 3.6Å; R65-R115 WeakPolarHBondContact O-CA 3.22Å; R65-L116 WeakPolarHBondContact CB-O 3.36Å; R65-L116 WeakPolarHBondContact CG-O 3.38Å; R65-L116 PolarHBondContact NE-O 3.3Å; R65-L116 PolarHBondContact O-N 2.92Å; R65-Q118 VanDerWaalsContact NH2-OE1 3.13Å | ||
| 66 | A | 94.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 117.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L9 V13 M44 | L9-A66 HydrophobicContact CD2-CB 3.79Å; V13-A66 HydrophobicContact CG2-CB 3.62Å; M44-A66 HydrophobicContact CB-CB 4.34Å; M44-A66 PolarHBondContact N-O 3.39Å; M44-A66 VanDerWaalsContact N-O 3.13Å; M44-A66 HydrophobicContact SD-CB 4.33Å |
| 67 | F | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146.1 | 178.8 | -62.4 | -94.4 | 0 | 0 | 0 | 110.9 | I42 C43 I50 L55 Y58 C64 V114 L116 | I42-F67 CarbonylContact O-C 3.59Å; I42-F67 VanDerWaalsContact O-CA 3.28Å; I42-F67 WeakPolarHBondContact O-CA 3.45Å; C43-F67 HydrophobicContact CB-CD1 4.22Å; C43-F67 HydrophobicContact CB-CE1 3.96Å; I50-F67 HydrophobicContact CG1-CE1 4.46Å; L55-F67 HydrophobicContact CD1-CD1 3.86Å; L55-F67 HydrophobicContact CD1-CD2 4.44Å; L55-F67 HydrophobicContact CD1-CE1 3.67Å; L55-F67 HydrophobicContact CD1-CE2 4.28Å; L55-F67 HydrophobicContact CD1-CG 4.25Å; L55-F67 HydrophobicContact CD1-CZ 3.9Å; Y58-F67 AromaticContact CD1-CE1 3.99Å; Y58-F67 HydrophobicContact CD1-CE1 3.99Å; Y58-F67 AromaticContact CD1-CZ 3.99Å; Y58-F67 HydrophobicContact CD1-CZ 3.99Å; Y58-F67 HydrophobicContact CE1-CE1 4.09Å; Y58-F67 HydrophobicContact CE1-CZ 4.27Å; C64-F67 HydrophobicContact CB-CZ 4.17Å; C64-F67 WeakPolarHBondContact O-CE2 3.44Å; C64-F67 WeakPolarHBondContact O-CZ 3.42Å; F67-V114 HydrophobicContact CB-CB 4.46Å; F67-V114 PolarHBondContact N-O 2.91Å; F67-V114 PolarHBondContact O-N 3.08Å; F67-L116 HydrophobicContact CD2-CD1 3.93Å; F67-L116 HydrophobicContact CD2-CG 4.13Å; F67-L116 HydrophobicContact CE2-CB 4.33Å; F67-L116 HydrophobicContact CE2-CD1 3.51Å; F67-L116 HydrophobicContact CE2-CG 4.04Å; F67-L116 HydrophobicContact CZ-CD1 4.17Å |
| 68 | L | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 109.1 | 168.9 | -171 | 68.7 | 0 | 0 | 0 | 108.2 | I42 M44 Y70 W111 I124 I152 I155 Q156 | I42-L68 WeakPolarHBondContact CB-O 3.49Å; I42-L68 PolarHBondContact N-O 2.89Å; I42-L68 PolarHBondContact O-N 3.41Å; M44-L68 HydrophobicContact CG-CB 4.19Å; M44-L68 HydrophobicContact SD-CB 4.32Å; L68-Y70 PolarHBondContact O-N 3.02Å; L68-W111 HydrophobicContact CD1-CE3 4.35Å; L68-W111 HydrophobicContact CD2-CD2 4.45Å; L68-W111 HydrophobicContact CD2-CE3 3.42Å; L68-W111 VanDerWaalsContact CD2-CE3 3.42Å; L68-W111 HydrophobicContact CD2-CZ3 3.48Å; L68-W111 VanDerWaalsContact CD2-CZ3 3.48Å; L68-W111 HydrophobicContact CG-CE3 3.63Å; L68-W111 HydrophobicContact CG-CZ3 3.99Å; L68-I124 HydrophobicContact CD1-CG1 4.09Å; L68-I152 HydrophobicContact CD1-CG2 4.49Å; L68-I152 HydrophobicContact CD2-CG2 4.45Å; L68-I155 HydrophobicContact CD2-CB 4.21Å; L68-I155 HydrophobicContact CD2-CG2 3.78Å; L68-Q156 HydrophobicContact CD2-CG 4.42Å |
| 69 | R | 97.3 | Very high | 88.5 | Confident | 74 Ų | 74 | 48.6 Ų | 48.6 | 28% | 0.279 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 126.3 | 174.9 | -176 | -177.5 | 68.5 | 175.5 | -0.4 | 108.9 | I40 Y41 W111 S112 V114 | I40-R69 CarbonylContact O-C 3.41Å; I40-R69 VanDerWaalsContact O-CA 3.26Å; I40-R69 WeakPolarHBondContact O-CA 3.34Å; Y41-R69 HydrophobicContact CD1-CB 4.02Å; Y41-R69 HydrophobicContact CD1-CG 4.28Å; Y41-R69 HydrophobicContact CE1-CB 4.05Å; Y41-R69 HydrophobicContact CE1-CG 4Å; R69-W111 WeakPolarHBondContact O-CA 3.31Å; R69-S112 WeakPolarHBondContact CB-O 3.26Å; R69-S112 WeakPolarHBondContact CB-OG 3.49Å; R69-S112 VanDerWaalsContact CZ-OG 3.29Å; R69-S112 PolarHBondContact N-O 3.45Å; R69-S112 PolarHBondContact NE-OG 3.04Å; R69-S112 PolarHBondContact NH2-OG 2.72Å; R69-S112 VanDerWaalsContact NH2-OG 3.16Å; R69-S112 PolarHBondContact O-N 3.29Å; R69-V114 HydrophobicContact CB-CG2 3.92Å |
| 70 | Y | 96.3 | Very high | 86.3 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.3 | 177.4 | -180 | -138.8 | 0 | 0 | 0 | 109.4 | K24 P34 G39 I40 L68 I72 E109 W111 | K24-Y70 HydrophobicContact CB-CD1 4.4Å; K24-Y70 HydrophobicContact CD-CD1 4.46Å; K24-Y70 HydrophobicContact CD-CE1 4.19Å; K24-Y70 HydrophobicContact CG-CE1 4.49Å; P34-Y70 HydrophobicContact CB-CD1 3.61Å; P34-Y70 HydrophobicContact CB-CE1 3.83Å; P34-Y70 HydrophobicContact CB-CG 4.16Å; P34-Y70 HydrophobicContact CG-CD1 3.71Å; P34-Y70 HydrophobicContact CG-CE1 3.66Å; G39-Y70 WeakPolarHBondContact CA-O 3.5Å; I40-Y70 HydrophobicContact CD1-CD1 4.28Å; I40-Y70 WeakPolarHBondContact CG1-O 3.45Å; I40-Y70 PolarHBondContact N-O 2.94Å; I40-Y70 PolarHBondContact O-N 3.42Å; L68-Y70 PolarHBondContact O-N 3.02Å; Y70-I72 HydrophobicContact CD2-CG2 4.31Å; Y70-I72 HydrophobicContact CE1-CG2 4.11Å; Y70-I72 HydrophobicContact CE2-CG2 3.52Å; Y70-I72 VanDerWaalsContact CZ-CG2 3.4Å; Y70-I72 WeakPolarHBondContact OH-CG2 3.48Å; Y70-E109 HydrophobicContact CE2-CB 4.12Å; Y70-E109 HydrophobicContact CE2-CG 4.01Å; Y70-E109 PolarHBondContact OH-OE1 3.2Å; Y70-W111 HydrophobicContact CD1-CH2 4.16Å; Y70-W111 AromaticContact CD2-CD2 3.75Å; Y70-W111 HydrophobicContact CD2-CD2 3.75Å; Y70-W111 AromaticContact CD2-CE2 3.41Å; Y70-W111 VanDerWaalsContact CD2-CE2 3.41Å; Y70-W111 AromaticContact CD2-CE3 3.82Å; Y70-W111 HydrophobicContact CD2-CE3 3.82Å; Y70-W111 AromaticContact CD2-CH2 3.39Å; Y70-W111 HydrophobicContact CD2-CH2 3.39Å; Y70-W111 AromaticContact CD2-CZ2 3.24Å; Y70-W111 HydrophobicContact CD2-CZ2 3.24Å; Y70-W111 AromaticContact CD2-CZ3 3.68Å; Y70-W111 HydrophobicContact CD2-CZ3 3.68Å; Y70-W111 HydrophobicContact CE1-CH2 4.49Å; Y70-W111 HydrophobicContact CE2-CD2 4.39Å; Y70-W111 AromaticContact CE2-CE2 3.6Å; Y70-W111 AromaticContact CE2-CH2 3.77Å; Y70-W111 HydrophobicContact CE2-CH2 3.77Å; Y70-W111 AromaticContact CE2-CZ2 3.25Å; Y70-W111 HydrophobicContact CE2-CZ2 3.25Å; Y70-W111 HydrophobicContact CE2-CZ3 4.48Å; Y70-W111 HydrophobicContact CG-CE3 4.15Å; Y70-W111 AromaticContact CG-CH2 3.6Å; Y70-W111 HydrophobicContact CG-CH2 3.6Å; Y70-W111 AromaticContact CG-CZ2 3.96Å; Y70-W111 HydrophobicContact CG-CZ2 3.96Å; Y70-W111 AromaticContact CG-CZ3 3.7Å; Y70-W111 HydrophobicContact CG-CZ3 3.7Å; Y70-W111 AromaticContact CZ-CZ2 3.99Å |
| 71 | K | 96.1 | Very high | 83.7 | Confident | 54 Ų | 54 | 50.8 Ų | 50.8 | 24% | 0.235 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 141.3 | 175.7 | 177.7 | 177.5 | 176.1 | 176 | 0 | 109.2 | P34 E37 H110 | P34-K71 CarbonylContact O-C 3.4Å; P34-K71 VanDerWaalsContact O-CA 3.3Å; P34-K71 WeakPolarHBondContact O-CA 3.49Å; E37-K71 WeakPolarHBondContact O-CE 3.33Å; E37-K71 PolarHBondContact O-NZ 3.41Å; K71-H110 HydrophobicContact CB-CB 4.3Å; K71-H110 PolarHBondContact N-O 3.33Å; K71-H110 PolarHBondContact O-N 3.09Å |
| 72 | I | 92.6 | Very high | 81.1 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 146.1 | 176.3 | 69.7 | -179.1 | 0 | 0 | 0 | 111.5 | P34 E35 Y70 V107 T108 E109 | P34-I72 HydrophobicContact CB-CD1 4.43Å; P34-I72 HydrophobicContact CB-CG1 4.09Å; P34-I72 HydrophobicContact CB-CG2 4.15Å; P34-I72 HydrophobicContact CG-CD1 4.36Å; P34-I72 PolarHBondContact O-N 3.47Å; E35-I72 HydrophobicContact CB-CG1 4.46Å; E35-I72 HydrophobicContact CG-CD1 3.69Å; E35-I72 HydrophobicContact CG-CG1 3.62Å; Y70-I72 HydrophobicContact CD2-CG2 4.31Å; Y70-I72 HydrophobicContact CE1-CG2 4.11Å; Y70-I72 HydrophobicContact CE2-CG2 3.52Å; Y70-I72 VanDerWaalsContact CZ-CG2 3.4Å; Y70-I72 WeakPolarHBondContact OH-CG2 3.48Å; I72-V107 HydrophobicContact CB-CG1 3.9Å; I72-V107 HydrophobicContact CD1-CG1 4.42Å; I72-V107 HydrophobicContact CG2-CG1 4.05Å; I72-T108 CarbonylContact C-O 3.48Å; I72-T108 VanDerWaalsContact CA-O 3.32Å; I72-T108 WeakPolarHBondContact CA-O 3.39Å; I72-E109 HydrophobicContact CG2-CG 4.21Å |
| 73 | E | 90.3 | Very high | 78.7 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 40% | 0.402 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.3 | 170.1 | -62.6 | -174 | 173.5 | 0 | 0 | 108.8 | V107 T108 H110 | E73-V107 WeakPolarHBondContact O-CA 3.47Å; E73-T108 PolarHBondContact N-O 3.5Å; E73-T108 PolarHBondContact O-N 2.8Å; E73-H110 IonicContact OE2-NE2 3.99Å |
| 74 | K | 84.8 | Confident | 76.5 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.8 | -178.7 | -70.4 | 178.9 | 176 | -179.2 | 0 | 109.7 | E35 Y105 T106 V107 P420 V421 | E35-K74 VanDerWaalsContact OE1-CE 3.23Å; E35-K74 WeakPolarHBondContact OE1-CE 3.42Å; E35-K74 IonicContact OE1-NZ 2.78Å; E35-K74 PolarHBondContact OE1-NZ 3.12Å; E35-K74 IonicContact OE2-NZ 2.58Å; K74-Y105 HydrophobicContact CB-CD2 4.19Å; K74-Y105 HydrophobicContact CB-CG 4.23Å; K74-Y105 HydrophobicContact CD-CD1 4.27Å; K74-Y105 HydrophobicContact CD-CD2 3.94Å; K74-Y105 HydrophobicContact CD-CE1 3.99Å; K74-Y105 HydrophobicContact CD-CE2 3.67Å; K74-Y105 HydrophobicContact CD-CG 4.25Å; K74-Y105 VanDerWaalsContact CE-CE2 3.49Å; K74-Y105 HydrophobicContact CG-CD2 3.82Å; K74-Y105 HydrophobicContact CG-CE2 3.95Å; K74-Y105 HydrophobicContact CG-CG 4.28Å; K74-Y105 PolarHBondContact NZ-OH 2.96Å; K74-Y105 VanDerWaalsContact NZ-OH 3.11Å; K74-T106 WeakPolarHBondContact CA-O 3.42Å; K74-V107 HydrophobicContact CG-CG2 4.4Å; K74-P420 CarbonylContact O-C 3.33Å; K74-P420 WeakPolarHBondContact O-CA 3.45Å; K74-V421 HydrophobicContact CB-CB 3.72Å; K74-V421 HydrophobicContact CB-CG2 3.72Å; K74-V421 PolarHBondContact O-N 2.82Å |
| 75 | Q | 83 | Confident | 74.3 | Confident | 88 Ų | 88 | 68.4 Ų | 68.4 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.5 | 173.5 | -65.9 | 179.7 | -2.6 | 0 | 0 | 109.8 | K77 Y105 T106 G419 | Q75-K77 PolarHBondContact O-N 2.97Å; Q75-Y105 CarbonylContact O-C 3.57Å; Q75-Y105 WeakPolarHBondContact O-CA 3.3Å; Q75-Y105 WeakPolarHBondContact O-CB 3.45Å; Q75-T106 PolarHBondContact N-O 3.38Å; Q75-T106 PolarHBondContact O-N 3.31Å; Q75-T106 PolarHBondContact O-OG1 3.42Å; Q75-G419 CarbonylContact C-O 3.6Å; Q75-G419 WeakPolarHBondContact CA-O 3.34Å |
| 76 | F | 74.4 | Confident | 72.3 | Confident | 19 Ų | 19 | 76.9 Ų | 76.9 | 8% | 0.083 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 130.5 | 174 | -73.8 | -70.9 | 0 | 0 | 0 | 110.1 | F412 T416 G418 G419 V421 | F76-F412 AromaticContact CE2-CE2 3.93Å; F76-F412 HydrophobicContact CE2-CE2 3.93Å; F76-F412 HydrophobicContact CE2-CZ 4.44Å; F76-F412 AromaticContact CZ-CE2 3.76Å; F76-F412 HydrophobicContact CZ-CE2 3.76Å; F76-F412 AromaticContact CZ-CZ 3.82Å; F76-F412 HydrophobicContact CZ-CZ 3.82Å; F76-T416 WeakPolarHBondContact CB-O 3.46Å; F76-T416 WeakPolarHBondContact CG-O 3.35Å; F76-G418 WeakPolarHBondContact O-CA 3.44Å; F76-G418 PolarHBondContact O-N 3.43Å; F76-G419 WeakPolarHBondContact CD2-O 3.48Å; F76-G419 PolarHBondContact N-O 3.47Å; F76-V421 HydrophobicContact CD1-CG2 4.12Å; F76-V421 HydrophobicContact CD2-CG2 3.96Å; F76-V421 HydrophobicContact CE1-CG2 4.04Å; F76-V421 HydrophobicContact CE2-CB 4.29Å; F76-V421 HydrophobicContact CE2-CG1 4.46Å; F76-V421 HydrophobicContact CE2-CG2 3.88Å; F76-V421 HydrophobicContact CG-CG2 4.08Å; F76-V421 HydrophobicContact CZ-CB 4.38Å; F76-V421 HydrophobicContact CZ-CG1 4.12Å; F76-V421 HydrophobicContact CZ-CG2 3.92Å |
| 77 | K | 76.1 | Confident | 70.1 | Confident | 82 Ų | 82 | 79.8 Ų | 79.8 | 36% | 0.357 | 42% | 0.416 | S | S | . | . | trans | -64.7 | 140.7 | 169 | -76.5 | 161.1 | 173.8 | 163.1 | 0 | 108.4 | Q75 K79 Q102 D103 M104 Y105 T106 | Q75-K77 PolarHBondContact O-N 2.97Å; K77-K79 VanDerWaalsContact C-N 3.33Å; K77-K79 PolarHBondContact O-N 3.17Å; K77-Q102 PolarHBondContact NZ-O 2.9Å; K77-D103 WeakPolarHBondContact CD-O 3.2Å; K77-D103 PolarHBondContact NZ-O 3.32Å; K77-M104 PolarHBondContact N-O 2.95Å; K77-Y105 WeakPolarHBondContact CE-O 3.47Å; K77-Y105 PolarHBondContact NZ-O 3Å; K77-T106 HydrophobicContact CG-CG2 3.79Å | ||
| 78 | D | 65.6 | Low | 68 | Low | 124 Ų | 124 | 81.7 Ų | 81.7 | 66% | 0.663 | 43% | 0.428 | S | S | * | . | trans | -66.2 | 95.1 | 169.1 | -75.5 | -29.7 | 0 | 0 | 0 | 108.8 | G80 G418 | D78-G80 PolarHBondContact O-N 3.43Å; D78-G418 WeakPolarHBondContact OD1-CA 3.5Å; D78-G418 PolarHBondContact OD1-N 3.25Å; D78-G418 VanDerWaalsContact OD1-N 3.16Å | ||
| 79 | K | 57 | Low | 65.7 | Low | 86 Ų | 86 | 84 Ų | 84 | 37% | 0.374 | 44% | 0.438 | S | S | . | . | trans | -70.7 | 109.3 | 166.6 | -67.8 | -167 | 174.4 | -165.5 | 0 | 106 | K77 D99 | K77-K79 VanDerWaalsContact C-N 3.33Å; K77-K79 PolarHBondContact O-N 3.17Å; K79-D99 IonicContact NZ-OD2 2.84Å; K79-D99 PolarHBondContact NZ-OD2 3.28Å | ||
| 80 | G | 48.3 | Very low | 63.5 | Low | 53 Ų | 53 | 86.3 Ų | 86.3 | 55% | 0.546 | 46% | 0.456 | S | S | . | . | trans | -53.6 | 171.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D78 S82 | D78-G80 PolarHBondContact O-N 3.43Å; G80-S82 PolarHBondContact O-N 3.49Å; G80-S82 PolarHBondContact O-OG 3.44Å | ||
| 81 | T | 39.6 | Very low | 61 | Low | 160 Ų | 160 | 86.9 Ų | 86.9 | 98% | 0.982 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -64.6 | 30 | -174.4 | -14 | 0 | 0 | 0 | 0 | 115.6 | A83 | T81-A83 PolarHBondContact O-N 3.46Š|
| 82 | S | 40.5 | Very low | 58.4 | Low | 93 Ų | 93 | 87.3 Ų | 87.3 | 65% | 0.65 | 47% | 0.47 | S | S | * | . | trans | -73.7 | 114 | 166.7 | 53.2 | 0 | 0 | 0 | 0 | 108.8 | G80 Q84 | G80-S82 PolarHBondContact O-N 3.49Å; G80-S82 PolarHBondContact O-OG 3.44Å; S82-Q84 PolarHBondContact O-N 3.26Å | ||
| 83 | A | 42 | Very low | 56.2 | Low | 90 Ų | 90 | 87.9 Ų | 87.9 | 74% | 0.744 | 48% | 0.481 | S | S | * | . | trans | -47.3 | 131.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | T81 E85 | T81-A83 PolarHBondContact O-N 3.46Å; A83-E85 PolarHBondContact O-N 2.88Å | ||
| 84 | Q | 47.6 | Very low | 54.1 | Low | 136 Ų | 136 | 85.3 Ų | 85.3 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | trans | -55 | 113 | 171.7 | -78.8 | 178 | -36.3 | 0 | 0 | 108.6 | S82 R86 | S82-Q84 PolarHBondContact O-N 3.26Å; Q84-R86 PolarHBondContact O-N 3.02Å | ||
| 85 | E | 48.2 | Very low | 52.3 | Low | 184 Ų | 184 | 88.2 Ų | 88.2 | 86% | 0.86 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 120.4 | 161.7 | -74.6 | -172.5 | 167.3 | 0 | 0 | 106.7 | A83 | A83-E85 PolarHBondContact O-N 2.88Š|
| 86 | R | 50.4 | Low | 50.9 | Low | 220 Ų | 220 | 85.5 Ų | 85.5 | 83% | 0.83 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 139.3 | 175.8 | -72.9 | -177 | 177.7 | -171.5 | -1.7 | 108.6 | Q84 T88 | Q84-R86 PolarHBondContact O-N 3.02Å; R86-T88 PolarHBondContact O-N 3.47Å |
| 87 | P | 48.8 | Very low | 49.6 | Very low | 64 Ų | 64 | 85.1 Ų | 85.1 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 125.9 | 175.5 | 24.1 | -31.9 | 0 | 0 | 0 | 109.1 | F98 | P87-F98 HydrophobicContact CB-CD1 4.11Å; P87-F98 HydrophobicContact CB-CD2 4.1Å; P87-F98 HydrophobicContact CB-CE1 4.05Å; P87-F98 HydrophobicContact CB-CE2 4.02Å; P87-F98 HydrophobicContact CB-CG 4.14Å; P87-F98 HydrophobicContact CB-CZ 3.99Å; P87-F98 HydrophobicContact CG-CD1 3.99Å; P87-F98 HydrophobicContact CG-CE1 3.55Å; P87-F98 HydrophobicContact CG-CE2 4.23Å; P87-F98 HydrophobicContact CG-CZ 3.68Å |
| 88 | T | 52.3 | Low | 48.4 | Very low | 40 Ų | 40 | 86 Ų | 86 | 25% | 0.245 | 50% | 0.496 | C | S | . | . | trans | -95.5 | -15 | 176.5 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | R86 G96 E301 | R86-T88 PolarHBondContact O-N 3.47Å; T88-G96 CarbonylContact C-O 3.59Å; T88-G96 WeakPolarHBondContact CA-O 3.45Å; T88-G96 PolarHBondContact N-O 3.38Å; T88-G96 VanDerWaalsContact OG1-CA 3.23Å; T88-G96 WeakPolarHBondContact OG1-CA 3.45Å; T88-G96 PolarHBondContact OG1-O 3.36Å; T88-E301 VanDerWaalsContact CB-CG 3.41Å; T88-E301 VanDerWaalsContact CB-OE1 3.24Å; T88-E301 WeakPolarHBondContact CB-OE1 3.29Å; T88-E301 VanDerWaalsContact CG2-CD 3.43Å; T88-E301 HydrophobicContact CG2-CG 3.82Å; T88-E301 WeakPolarHBondContact O-CG 3.17Å | ||
| 89 | K | 48.4 | Very low | 47.6 | Very low | 49 Ų | 49 | 84 Ų | 84 | 21% | 0.213 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -128.4 | 139 | -179.9 | -63.3 | -179.5 | 175.8 | -179.6 | 0 | 109.9 | A91 V94 G96 | K89-A91 PolarHBondContact O-N 3.29Å; K89-V94 HydrophobicContact CB-CG2 4.4Å; K89-V94 HydrophobicContact CD-CG2 4.18Å; K89-G96 PolarHBondContact N-O 2.96Å |
| 90 | L | 50.7 | Low | 47.3 | Very low | 123 Ų | 123 | 82 Ų | 82 | 64% | 0.644 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -76.2 | 49.5 | 173.3 | -70.7 | 171.6 | 0 | 0 | 0 | 112.1 | F98 V304 | L90-F98 HydrophobicContact CD2-CE2 4.45Å; L90-V304 HydrophobicContact CD1-CG1 4.16Å; L90-V304 HydrophobicContact CD1-CG2 3.75Å; L90-V304 HydrophobicContact CD2-CG1 4.27Å; L90-V304 HydrophobicContact CG-CG1 4.03Å; L90-V304 HydrophobicContact CG-CG2 3.8Å |
| 91 | A | 43.4 | Very low | 47.4 | Very low | 28 Ų | 28 | 81.5 Ų | 81.5 | 23% | 0.231 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -140.7 | 145.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | K89 V94 G97 F98 | K89-A91 PolarHBondContact O-N 3.29Å; A91-V94 HydrophobicContact CB-CG1 4.49Å; A91-V94 HydrophobicContact CB-CG2 3.6Å; A91-G97 CarbonylContact O-C 3.54Å; A91-G97 WeakPolarHBondContact O-CA 3.27Å; A91-F98 PolarHBondContact O-N 3.23Å |
| 92 | V | 43.4 | Very low | 48.2 | Very low | 63 Ų | 63 | 77.3 Ų | 77.3 | 38% | 0.382 | 43% | 0.433 | S | S | . | . | B | Isolated β-bridge | trans | -93.8 | 130.4 | 178.6 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | F98 F100 | V92-F98 CarbonylContact C-O 3.6Å; V92-F98 WeakPolarHBondContact CA-O 3.28Å; V92-F98 HydrophobicContact CG2-CB 4.22Å; V92-F100 HydrophobicContact CG1-CD1 3.94Å; V92-F100 HydrophobicContact CG1-CE1 4.42Å |
| 93 | G | 45.7 | Very low | 49 | Very low | 30 Ų | 30 | 76.8 Ų | 76.8 | 31% | 0.309 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 86.6 | 9.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | F98 F100 | G93-F98 PolarHBondContact N-O 3.1Å; G93-F100 VanDerWaalsContact CA-CD2 3.4Å; G93-F100 VanDerWaalsContact CA-CZ 3.44Å; G93-F100 WeakPolarHBondContact O-CE2 3.5Å |
| 94 | V | 45.4 | Very low | 50 | Low | 32 Ų | 32 | 74.7 Ų | 74.7 | 19% | 0.194 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -104.8 | 154.4 | 176.3 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | K89 A91 G96 G97 W174 | K89-V94 HydrophobicContact CB-CG2 4.4Å; K89-V94 HydrophobicContact CD-CG2 4.18Å; A91-V94 HydrophobicContact CB-CG1 4.49Å; A91-V94 HydrophobicContact CB-CG2 3.6Å; V94-G96 PolarHBondContact O-N 3.48Å; V94-G96 VanDerWaalsContact O-N 3.14Å; V94-G97 WeakPolarHBondContact O-CA 3.48Å; V94-G97 PolarHBondContact O-N 3.43Å; V94-W174 HydrophobicContact CG1-CB 4.24Å; V94-W174 HydrophobicContact CG1-CD2 4.38Å; V94-W174 HydrophobicContact CG1-CG 3.94Å |
| 95 | S | 48.1 | Very low | 51.1 | Low | 89 Ų | 89 | 69.4 Ų | 69.4 | 62% | 0.622 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 119.5 | 176.1 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | G97 | S95-G97 VanDerWaalsContact C-N 3.34Š|
| 96 | G | 52.7 | Low | 52.6 | Low | 30 Ų | 30 | 63.6 Ų | 63.6 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 1.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T88 K89 V94 | T88-G96 CarbonylContact C-O 3.59Å; T88-G96 WeakPolarHBondContact CA-O 3.45Å; T88-G96 PolarHBondContact N-O 3.38Å; T88-G96 VanDerWaalsContact OG1-CA 3.23Å; T88-G96 WeakPolarHBondContact OG1-CA 3.45Å; T88-G96 PolarHBondContact OG1-O 3.36Å; K89-G96 PolarHBondContact N-O 2.96Å; V94-G96 PolarHBondContact O-N 3.48Å; V94-G96 VanDerWaalsContact O-N 3.14Å |
| 97 | G | 48 | Very low | 54.3 | Low | 12 Ų | 12 | 56.1 Ų | 56.1 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -88.5 | -167.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A91 V94 S95 | A91-G97 CarbonylContact O-C 3.54Å; A91-G97 WeakPolarHBondContact O-CA 3.27Å; V94-G97 WeakPolarHBondContact O-CA 3.48Å; V94-G97 PolarHBondContact O-N 3.43Å; S95-G97 VanDerWaalsContact C-N 3.34Å |
| 98 | F | 51 | Low | 56.3 | Low | 99 Ų | 99 | 55.7 Ų | 55.7 | 43% | 0.434 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -70.1 | 134.9 | 168.5 | -65.4 | -92.6 | 0 | 0 | 0 | 109.7 | P87 L90 A91 V92 G93 | P87-F98 HydrophobicContact CB-CD1 4.11Å; P87-F98 HydrophobicContact CB-CD2 4.1Å; P87-F98 HydrophobicContact CB-CE1 4.05Å; P87-F98 HydrophobicContact CB-CE2 4.02Å; P87-F98 HydrophobicContact CB-CG 4.14Å; P87-F98 HydrophobicContact CB-CZ 3.99Å; P87-F98 HydrophobicContact CG-CD1 3.99Å; P87-F98 HydrophobicContact CG-CE1 3.55Å; P87-F98 HydrophobicContact CG-CE2 4.23Å; P87-F98 HydrophobicContact CG-CZ 3.68Å; L90-F98 HydrophobicContact CD2-CE2 4.45Å; A91-F98 PolarHBondContact O-N 3.23Å; V92-F98 CarbonylContact C-O 3.6Å; V92-F98 WeakPolarHBondContact CA-O 3.28Å; V92-F98 HydrophobicContact CG2-CB 4.22Å; G93-F98 PolarHBondContact N-O 3.1Å |
| 99 | D | 48 | Very low | 58.3 | Low | 82 Ų | 82 | 56.1 Ų | 56.1 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -49 | 142.4 | 169.8 | -73.5 | -18.3 | 0 | 0 | 0 | 110.1 | K79 D103 M104 | K79-D99 IonicContact NZ-OD2 2.84Å; K79-D99 PolarHBondContact NZ-OD2 3.28Å; D99-D103 HydrophobicContact CB-CB 4.27Å; D99-M104 HydrophobicContact CB-CG 4.32Å |
| 100 | F | 51.5 | Low | 60.5 | Low | 46 Ų | 46 | 57.6 Ų | 57.6 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 143.2 | 165.6 | -77.6 | -71.1 | 0 | 0 | 0 | 107.5 | V92 G93 Q102 D103 R167 | V92-F100 HydrophobicContact CG1-CD1 3.94Å; V92-F100 HydrophobicContact CG1-CE1 4.42Å; G93-F100 VanDerWaalsContact CA-CD2 3.4Å; G93-F100 VanDerWaalsContact CA-CZ 3.44Å; G93-F100 WeakPolarHBondContact O-CE2 3.5Å; F100-Q102 PolarHBondContact O-N 3.07Å; F100-D103 PolarHBondContact N-OD2 3.32Å; F100-D103 WeakPolarHBondContact O-CB 3.14Å; F100-D103 PolarHBondContact O-N 2.86Å; F100-R167 HydrophobicContact CE1-CG 4.32Å; F100-R167 HydrophobicContact CZ-CG 4.19Å |
| 101 | P | 50.4 | Low | 62.7 | Low | 42 Ų | 42 | 52 Ų | 52 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -48 | -38.3 | 174.1 | -29.7 | 35.7 | 0 | 0 | 0 | 112.2 | D103 M104 Y105 | P101-D103 PolarHBondContact O-N 3.48Å; P101-M104 HydrophobicContact CB-CE 4.45Å; P101-M104 WeakPolarHBondContact O-CB 3.25Å; P101-M104 PolarHBondContact O-N 3Å; P101-Y105 HydrophobicContact CB-CE1 3.62Å; P101-Y105 WeakPolarHBondContact CB-OH 3.48Å; P101-Y105 WeakPolarHBondContact O-CD1 3.46Å; P101-Y105 WeakPolarHBondContact O-CE1 3.26Å |
| 102 | Q | 54.6 | Low | 65.2 | Low | 72 Ų | 72 | 50.7 Ų | 50.7 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.5 | -24.3 | 179.1 | -63 | 154.7 | 3.7 | 0 | 0 | 114.3 | K77 F100 M104 Y105 | K77-Q102 PolarHBondContact NZ-O 2.9Å; F100-Q102 PolarHBondContact O-N 3.07Å; Q102-M104 VanDerWaalsContact C-N 3.29Å; Q102-Y105 HydrophobicContact CB-CE2 4.48Å; Q102-Y105 HydrophobicContact CG-CE2 4.3Å |
| 103 | D | 57.9 | Low | 67.7 | Low | 81 Ų | 81 | 47.8 Ų | 47.8 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -77 | -21.4 | 176.5 | -63.1 | -37.3 | 0 | 0 | 0 | 111.9 | K77 D99 F100 P101 | K77-D103 WeakPolarHBondContact CD-O 3.2Å; K77-D103 PolarHBondContact NZ-O 3.32Å; D99-D103 HydrophobicContact CB-CB 4.27Å; F100-D103 PolarHBondContact N-OD2 3.32Å; F100-D103 WeakPolarHBondContact O-CB 3.14Å; F100-D103 PolarHBondContact O-N 2.86Å; P101-D103 PolarHBondContact O-N 3.48Å |
| 104 | M | 62.6 | Low | 70 | Confident | 47 Ų | 47 | 46.7 Ų | 46.7 | 23% | 0.232 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -86.1 | -20 | 179.9 | -61 | -168.3 | -78.5 | 0 | 0 | 113.8 | K77 D99 P101 Q102 | K77-M104 PolarHBondContact N-O 2.95Å; D99-M104 HydrophobicContact CB-CG 4.32Å; P101-M104 HydrophobicContact CB-CE 4.45Å; P101-M104 WeakPolarHBondContact O-CB 3.25Å; P101-M104 PolarHBondContact O-N 3Å; Q102-M104 VanDerWaalsContact C-N 3.29Å |
| 105 | Y | 70.5 | Confident | 72.2 | Confident | 24 Ų | 24 | 46.7 Ų | 46.7 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154.1 | -175.4 | 52.9 | -106.2 | 0 | 0 | 0 | 113.4 | K74 Q75 K77 P101 Q102 V107 V421 | K74-Y105 HydrophobicContact CB-CD2 4.19Å; K74-Y105 HydrophobicContact CB-CG 4.23Å; K74-Y105 HydrophobicContact CD-CD1 4.27Å; K74-Y105 HydrophobicContact CD-CD2 3.94Å; K74-Y105 HydrophobicContact CD-CE1 3.99Å; K74-Y105 HydrophobicContact CD-CE2 3.67Å; K74-Y105 HydrophobicContact CD-CG 4.25Å; K74-Y105 VanDerWaalsContact CE-CE2 3.49Å; K74-Y105 HydrophobicContact CG-CD2 3.82Å; K74-Y105 HydrophobicContact CG-CE2 3.95Å; K74-Y105 HydrophobicContact CG-CG 4.28Å; K74-Y105 PolarHBondContact NZ-OH 2.96Å; K74-Y105 VanDerWaalsContact NZ-OH 3.11Å; Q75-Y105 CarbonylContact O-C 3.57Å; Q75-Y105 WeakPolarHBondContact O-CA 3.3Å; Q75-Y105 WeakPolarHBondContact O-CB 3.45Å; K77-Y105 WeakPolarHBondContact CE-O 3.47Å; K77-Y105 PolarHBondContact NZ-O 3Å; P101-Y105 HydrophobicContact CB-CE1 3.62Å; P101-Y105 WeakPolarHBondContact CB-OH 3.48Å; P101-Y105 WeakPolarHBondContact O-CD1 3.46Å; P101-Y105 WeakPolarHBondContact O-CE1 3.26Å; Q102-Y105 HydrophobicContact CB-CE2 4.48Å; Q102-Y105 HydrophobicContact CG-CE2 4.3Å; Y105-V107 HydrophobicContact CD2-CG2 3.53Å; Y105-V107 HydrophobicContact CE2-CG2 3.45Å; Y105-V107 VanDerWaalsContact CE2-CG2 3.45Å; Y105-V421 HydrophobicContact CD1-CG2 4.25Å; Y105-V421 HydrophobicContact CG-CG2 4.34Å |
| 106 | T | 81.5 | Confident | 74.3 | Confident | 62 Ų | 62 | 43.5 Ų | 43.5 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 144.4 | 160.5 | 50.5 | 0 | 0 | 0 | 0 | 108.9 | K74 Q75 K77 | K74-T106 WeakPolarHBondContact CA-O 3.42Å; Q75-T106 PolarHBondContact N-O 3.38Å; Q75-T106 PolarHBondContact O-N 3.31Å; Q75-T106 PolarHBondContact O-OG1 3.42Å; K77-T106 HydrophobicContact CG-CG2 3.79Å |
| 107 | V | 85.7 | Confident | 75.9 | Confident | 63 Ų | 63 | 45.7 Ų | 45.7 | 38% | 0.382 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 122 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | I72 E73 K74 Y105 E109 | I72-V107 HydrophobicContact CB-CG1 3.9Å; I72-V107 HydrophobicContact CD1-CG1 4.42Å; I72-V107 HydrophobicContact CG2-CG1 4.05Å; E73-V107 WeakPolarHBondContact O-CA 3.47Å; K74-V107 HydrophobicContact CG-CG2 4.4Å; Y105-V107 HydrophobicContact CD2-CG2 3.53Å; Y105-V107 HydrophobicContact CE2-CG2 3.45Å; Y105-V107 VanDerWaalsContact CE2-CG2 3.45Å; V107-E109 HydrophobicContact CG1-CG 4.29Å |
| 108 | T | 91.1 | Very high | 77.8 | Confident | 55 Ų | 55 | 49.6 Ų | 49.6 | 34% | 0.337 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.5 | 169.4 | -56.6 | 0 | 0 | 0 | 0 | 108.3 | I72 E73 | I72-T108 CarbonylContact C-O 3.48Å; I72-T108 VanDerWaalsContact CA-O 3.32Å; I72-T108 WeakPolarHBondContact CA-O 3.39Å; E73-T108 PolarHBondContact N-O 3.5Å; E73-T108 PolarHBondContact O-N 2.8Å |
| 109 | E | 93.3 | Very high | 79.5 | Confident | 50 Ų | 50 | 47 Ų | 47 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 138.4 | 179.1 | -56.5 | -164.3 | 153.6 | 0 | 0 | 111.5 | Y70 I72 V107 W111 N126 | Y70-E109 HydrophobicContact CE2-CB 4.12Å; Y70-E109 HydrophobicContact CE2-CG 4.01Å; Y70-E109 PolarHBondContact OH-OE1 3.2Å; I72-E109 HydrophobicContact CG2-CG 4.21Å; V107-E109 HydrophobicContact CG1-CG 4.29Å; E109-W111 PolarHBondContact OE2-NE1 2.79Å; E109-N126 PolarHBondContact O-ND2 2.72Å; E109-N126 PolarHBondContact O-OD1 3.15Å |
| 110 | H | 95.8 | Very high | 81.4 | Confident | 79 Ų | 79 | 46.2 Ų | 46.2 | 37% | 0.366 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.7 | 175 | -58.8 | -78.9 | 0 | 0 | 0 | 109.2 | K71 E73 | K71-H110 HydrophobicContact CB-CB 4.3Å; K71-H110 PolarHBondContact N-O 3.33Å; K71-H110 PolarHBondContact O-N 3.09Å; E73-H110 IonicContact OE2-NE2 3.99Å |
| 111 | W | 96.8 | Very high | 83.2 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 2% | 0.023 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 139.2 | -179.1 | -63.3 | 90.6 | 0 | 0 | 0 | 110.3 | K24 I42 L68 R69 Y70 E109 I124 N126 I155 Q156 | K24-W111 HydrophobicContact CD-CH2 4.32Å; I42-W111 HydrophobicContact CD1-CH2 4.23Å; I42-W111 HydrophobicContact CD1-CZ3 3.8Å; L68-W111 HydrophobicContact CD1-CE3 4.35Å; L68-W111 HydrophobicContact CD2-CD2 4.45Å; L68-W111 HydrophobicContact CD2-CE3 3.42Å; L68-W111 VanDerWaalsContact CD2-CE3 3.42Å; L68-W111 HydrophobicContact CD2-CZ3 3.48Å; L68-W111 VanDerWaalsContact CD2-CZ3 3.48Å; L68-W111 HydrophobicContact CG-CE3 3.63Å; L68-W111 HydrophobicContact CG-CZ3 3.99Å; R69-W111 WeakPolarHBondContact O-CA 3.31Å; Y70-W111 HydrophobicContact CD1-CH2 4.16Å; Y70-W111 AromaticContact CD2-CD2 3.75Å; Y70-W111 HydrophobicContact CD2-CD2 3.75Å; Y70-W111 AromaticContact CD2-CE2 3.41Å; Y70-W111 VanDerWaalsContact CD2-CE2 3.41Å; Y70-W111 AromaticContact CD2-CE3 3.82Å; Y70-W111 HydrophobicContact CD2-CE3 3.82Å; Y70-W111 AromaticContact CD2-CH2 3.39Å; Y70-W111 HydrophobicContact CD2-CH2 3.39Å; Y70-W111 AromaticContact CD2-CZ2 3.24Å; Y70-W111 HydrophobicContact CD2-CZ2 3.24Å; Y70-W111 AromaticContact CD2-CZ3 3.68Å; Y70-W111 HydrophobicContact CD2-CZ3 3.68Å; Y70-W111 HydrophobicContact CE1-CH2 4.49Å; Y70-W111 HydrophobicContact CE2-CD2 4.39Å; Y70-W111 AromaticContact CE2-CE2 3.6Å; Y70-W111 AromaticContact CE2-CH2 3.77Å; Y70-W111 HydrophobicContact CE2-CH2 3.77Å; Y70-W111 AromaticContact CE2-CZ2 3.25Å; Y70-W111 HydrophobicContact CE2-CZ2 3.25Å; Y70-W111 HydrophobicContact CE2-CZ3 4.48Å; Y70-W111 HydrophobicContact CG-CE3 4.15Å; Y70-W111 AromaticContact CG-CH2 3.6Å; Y70-W111 HydrophobicContact CG-CH2 3.6Å; Y70-W111 AromaticContact CG-CZ2 3.96Å; Y70-W111 HydrophobicContact CG-CZ2 3.96Å; Y70-W111 AromaticContact CG-CZ3 3.7Å; Y70-W111 HydrophobicContact CG-CZ3 3.7Å; Y70-W111 AromaticContact CZ-CZ2 3.99Å; E109-W111 PolarHBondContact OE2-NE1 2.79Å; W111-I124 HydrophobicContact CB-CB 3.89Å; W111-I124 HydrophobicContact CB-CG2 4.3Å; W111-I124 PolarHBondContact O-N 2.98Å; W111-N126 PolarHBondContact NE1-OD1 3.39Å; W111-I155 HydrophobicContact CZ3-CG2 4.4Å; W111-Q156 HydrophobicContact CD2-CG 3.88Å; W111-Q156 HydrophobicContact CE3-CG 4.22Å; W111-Q156 HydrophobicContact CG-CG 4.29Å; W111-Q156 HydrophobicContact CH2-CG 4.35Å; W111-Q156 HydrophobicContact CZ2-CB 4.31Å; W111-Q156 HydrophobicContact CZ2-CG 4.07Å; W111-Q156 HydrophobicContact CZ3-CG 4.42Å |
| 112 | S | 95.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 134.1 | 169.1 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | R69 F122 | R69-S112 WeakPolarHBondContact CB-O 3.26Å; R69-S112 WeakPolarHBondContact CB-OG 3.49Å; R69-S112 VanDerWaalsContact CZ-OG 3.29Å; R69-S112 PolarHBondContact N-O 3.45Å; R69-S112 PolarHBondContact NE-OG 3.04Å; R69-S112 PolarHBondContact NH2-OG 2.72Å; R69-S112 VanDerWaalsContact NH2-OG 3.16Å; R69-S112 PolarHBondContact O-N 3.29Å; S112-F122 CarbonylContact C-O 3.6Å; S112-F122 WeakPolarHBondContact CA-O 3.5Å; S112-F122 VanDerWaalsContact CB-O 3.31Å; S112-F122 WeakPolarHBondContact CB-O 3.2Å |
| 113 | L | 94.8 | Very high | 87 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 125.1 | 172.4 | 179.4 | 67.9 | 0 | 0 | 0 | 109.5 | F6 L9 M44 S121 F122 I124 L148 | F6-L113 HydrophobicContact CD1-CD2 4.32Å; F6-L113 HydrophobicContact CE1-CD2 4.13Å; L9-L113 HydrophobicContact CD1-CD2 4.06Å; L9-L113 HydrophobicContact CD1-CG 4.44Å; M44-L113 HydrophobicContact SD-CD1 3.53Å; M44-L113 VanDerWaalsContact SD-CD1 3.53Å; L113-S121 CarbonylContact O-C 3.56Å; L113-S121 VanDerWaalsContact O-CA 3.25Å; L113-S121 WeakPolarHBondContact O-CA 3.48Å; L113-F122 PolarHBondContact N-O 2.89Å; L113-F122 PolarHBondContact O-N 3.01Å; L113-I124 HydrophobicContact CB-CD1 4.06Å; L113-I124 HydrophobicContact CB-CG1 4.07Å; L113-L148 HydrophobicContact CD1-CD1 4.35Å; L113-L148 HydrophobicContact CD2-CD2 3.97Å |
| 114 | V | 94.2 | Very high | 88.8 | Confident | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.5 | -176.2 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | Y41 F67 R69 D120 | Y41-V114 HydrophobicContact CD1-CB 4.37Å; Y41-V114 HydrophobicContact CD1-CG1 4.41Å; Y41-V114 HydrophobicContact CD1-CG2 4.28Å; Y41-V114 HydrophobicContact CE1-CB 4.46Å; Y41-V114 HydrophobicContact CE1-CG1 4.25Å; Y41-V114 HydrophobicContact CE1-CG2 4.07Å; F67-V114 HydrophobicContact CB-CB 4.46Å; F67-V114 PolarHBondContact N-O 2.91Å; F67-V114 PolarHBondContact O-N 3.08Å; R69-V114 HydrophobicContact CB-CG2 3.92Å; V114-D120 WeakPolarHBondContact CA-O 3.2Å |
| 115 | R | 92.5 | Very high | 90.2 | Very high | 32 Ų | 32 | 47 Ų | 47 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.8 | 177 | -179.3 | 172.4 | -173.2 | -143.6 | 6.9 | 111.8 | D8 L9 R65 G119 D120 | D8-R115 IonicContact OD2-CZ 2.67Å; D8-R115 IonicContact OD2-NE 3.95Å; D8-R115 IonicContact OD2-NH2 3.63Å; D8-R115 PolarHBondContact OD2-NH2 3.37Å; L9-R115 HydrophobicContact CD1-CB 4.34Å; L9-R115 HydrophobicContact CD2-CB 4.1Å; L9-R115 HydrophobicContact CD2-CG 3.84Å; R65-R115 CarbonylContact O-C 3.6Å; R65-R115 WeakPolarHBondContact O-CA 3.22Å; R115-G119 WeakPolarHBondContact O-CA 3.26Å; R115-G119 PolarHBondContact O-N 2.97Å; R115-D120 PolarHBondContact N-O 3.25Å |
| 116 | L | 91.7 | Very high | 91.2 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 151.5 | 172.9 | -66.3 | -178.2 | 0 | 0 | 0 | 112.8 | L55 Y59 R65 F67 Q118 | L55-L116 HydrophobicContact CD1-CD1 3.83Å; L55-L116 HydrophobicContact CD2-CD1 3.98Å; L55-L116 HydrophobicContact CG-CD1 3.61Å; Y59-L116 HydrophobicContact CD2-CB 4.18Å; Y59-L116 HydrophobicContact CG-CB 4.2Å; Y59-L116 HydrophobicContact CG-CD1 4.4Å; R65-L116 WeakPolarHBondContact CB-O 3.36Å; R65-L116 WeakPolarHBondContact CG-O 3.38Å; R65-L116 PolarHBondContact NE-O 3.3Å; R65-L116 PolarHBondContact O-N 2.92Å; F67-L116 HydrophobicContact CD2-CD1 3.93Å; F67-L116 HydrophobicContact CD2-CG 4.13Å; F67-L116 HydrophobicContact CE2-CB 4.33Å; F67-L116 HydrophobicContact CE2-CD1 3.51Å; F67-L116 HydrophobicContact CE2-CG 4.04Å; F67-L116 HydrophobicContact CZ-CD1 4.17Å; L116-Q118 VanDerWaalsContact C-N 3.34Å; L116-Q118 VanDerWaalsContact C-OE1 3.32Å; L116-Q118 PolarHBondContact O-OE1 3.24Å |
| 117 | P | 87.5 | Confident | 91.6 | Very high | 76 Ų | 76 | 48 Ų | 48 | 49% | 0.494 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -83.3 | -2.5 | -0.3 | 34.6 | -36.1 | 0 | 0 | 0 | 114 | Y59 G119 | Y59-P117 HydrophobicContact CE1-CB 3.9Å; Y59-P117 HydrophobicContact CE1-CG 4.35Å; Y59-P117 WeakPolarHBondContact OH-CD 3.42Å; P117-G119 PolarHBondContact O-N 3.12Å |
| 118 | Q | 86.7 | Confident | 91.5 | Very high | 94 Ų | 94 | 50.9 Ų | 50.9 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -31.3 | -172.4 | -69.7 | 77.6 | 18.3 | 0 | 0 | 113.7 | R65 L116 D120 | R65-Q118 VanDerWaalsContact NH2-OE1 3.13Å; L116-Q118 VanDerWaalsContact C-N 3.34Å; L116-Q118 VanDerWaalsContact C-OE1 3.32Å; L116-Q118 PolarHBondContact O-OE1 3.24Å; Q118-D120 VanDerWaalsContact C-N 3.28Å; Q118-D120 WeakPolarHBondContact CB-OD2 3.42Å |
| 119 | G | 86 | Confident | 90.9 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 45% | 0.454 | 31% | 0.306 | S | S | . | . | trans | 81.4 | 4.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | R115 P117 S121 | R115-G119 WeakPolarHBondContact O-CA 3.26Å; R115-G119 PolarHBondContact O-N 2.97Å; P117-G119 PolarHBondContact O-N 3.12Å; G119-S121 PolarHBondContact O-N 3.04Å | ||
| 120 | D | 88.6 | Confident | 90 | Very high | 65 Ų | 65 | 56.5 Ų | 56.5 | 35% | 0.348 | 34% | 0.339 | S | S | . | . | trans | -60.5 | 133.3 | 177.6 | -53 | -43.4 | 0 | 0 | 0 | 110.1 | V114 R115 Q118 F122 | V114-D120 WeakPolarHBondContact CA-O 3.2Å; R115-D120 PolarHBondContact N-O 3.25Å; Q118-D120 VanDerWaalsContact C-N 3.28Å; Q118-D120 WeakPolarHBondContact CB-OD2 3.42Å; D120-F122 HydrophobicContact CB-CE2 3.79Å; D120-F122 HydrophobicContact CB-CZ 4.27Å | ||
| 121 | S | 90.6 | Very high | 89.2 | Confident | 61 Ų | 61 | 55.3 Ų | 55.3 | 43% | 0.427 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 141.2 | 179.7 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | L113 G119 | L113-S121 CarbonylContact O-C 3.56Å; L113-S121 VanDerWaalsContact O-CA 3.25Å; L113-S121 WeakPolarHBondContact O-CA 3.48Å; G119-S121 PolarHBondContact O-N 3.04Å |
| 122 | F | 90.8 | Very high | 88.3 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 28% | 0.276 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 123 | -179.9 | -61.3 | -86.5 | 0 | 0 | 0 | 109.7 | M1 S112 L113 D120 | M1-F122 HydrophobicContact CB-CE1 4.42Å; M1-F122 HydrophobicContact CB-CZ 4.4Å; M1-F122 HydrophobicContact CE-CD1 3.8Å; M1-F122 HydrophobicContact CE-CD2 3.13Å; M1-F122 HydrophobicContact CE-CE1 3.63Å; M1-F122 HydrophobicContact CE-CE2 2.95Å; M1-F122 HydrophobicContact CE-CG 3.6Å; M1-F122 HydrophobicContact CE-CZ 3.25Å; M1-F122 HydrophobicContact CG-CE1 3.62Å; M1-F122 HydrophobicContact CG-CE2 3.89Å; M1-F122 HydrophobicContact CG-CZ 3.21Å; M1-F122 HydrophobicContact SD-CD2 3.96Å; M1-F122 HydrophobicContact SD-CE1 3.98Å; M1-F122 HydrophobicContact SD-CE2 3.12Å; M1-F122 WeakPolarHBondContact SD-CE2 3.28Å; M1-F122 HydrophobicContact SD-CZ 3.15Å; M1-F122 WeakPolarHBondContact SD-CZ 3.23Å; S112-F122 CarbonylContact C-O 3.6Å; S112-F122 WeakPolarHBondContact CA-O 3.5Å; S112-F122 VanDerWaalsContact CB-O 3.31Å; S112-F122 WeakPolarHBondContact CB-O 3.2Å; L113-F122 PolarHBondContact N-O 2.89Å; L113-F122 PolarHBondContact O-N 3.01Å; D120-F122 HydrophobicContact CB-CE2 3.79Å; D120-F122 HydrophobicContact CB-CZ 4.27Å |
| 123 | D | 93.8 | Very high | 87.3 | Confident | 124 Ų | 124 | 63.6 Ų | 63.6 | 66% | 0.663 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 136.5 | 179.1 | -64.4 | -28.9 | 0 | 0 | 0 | 110.7 | ||
| 124 | I | 94.3 | Very high | 86.3 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 5% | 0.046 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.2 | -179.2 | -62 | -58.9 | 0 | 0 | 0 | 107.7 | L68 W111 L113 L139 L142 L144 I152 | L68-I124 HydrophobicContact CD1-CG1 4.09Å; W111-I124 HydrophobicContact CB-CB 3.89Å; W111-I124 HydrophobicContact CB-CG2 4.3Å; W111-I124 PolarHBondContact O-N 2.98Å; L113-I124 HydrophobicContact CB-CD1 4.06Å; L113-I124 HydrophobicContact CB-CG1 4.07Å; I124-L139 HydrophobicContact CG2-CD2 3.67Å; I124-L142 HydrophobicContact CD1-CD1 3.66Å; I124-L144 HydrophobicContact CD1-CD1 4.42Å; I124-I152 HydrophobicContact CD1-CD1 4.17Å; I124-I152 HydrophobicContact CG2-CG2 3.67Å |
| 125 | P | 93.7 | Very high | 86 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 31% | 0.305 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 155.4 | 178.9 | 26.8 | -32.8 | 0 | 0 | 0 | 111.8 | H138 L139 Q156 | P125-H138 WeakPolarHBondContact CG-O 3.44Å; P125-H138 PolarHBondContact O-CD2 3.18Å; P125-L139 HydrophobicContact CG-CD2 4.14Å; P125-Q156 PolarHBondContact O-NE2 2.9Å |
| 126 | N | 91.4 | Very high | 85.8 | Confident | 75 Ų | 75 | 70.8 Ų | 70.8 | 40% | 0.401 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 143.7 | 174.8 | -71.6 | -40.3 | 0 | 0 | 0 | 110.8 | E109 W111 | E109-N126 PolarHBondContact O-ND2 2.72Å; E109-N126 PolarHBondContact O-OD1 3.15Å; W111-N126 PolarHBondContact NE1-OD1 3.39Å |
| 127 | P | 88.3 | Confident | 85.7 | Confident | 32 Ų | 32 | 71.9 Ų | 71.9 | 21% | 0.208 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 148.2 | 170.9 | 28.9 | -34.2 | 0 | 0 | 0 | 111.1 | Q156 R157 | P127-Q156 HydrophobicContact CG-CB 4.24Å; P127-R157 HydrophobicContact CB-CG 4.45Å; P127-R157 VanDerWaalsContact CB-CZ 3.46Å; P127-R157 HydrophobicContact CG-CG 4.32Å |
| 128 | E | 83.6 | Confident | 85.8 | Confident | 125 Ų | 125 | 69.3 Ų | 69.3 | 58% | 0.584 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 140.8 | 172.7 | -64 | -174.7 | 165 | 0 | 0 | 111.1 | Q131 | E128-Q131 HydrophobicContact CB-CG 4.16Å; E128-Q131 PolarHBondContact OE2-NE2 3.09Å; E128-Q131 VanDerWaalsContact OE2-NE2 3.16Å |
| 129 | P | 78.3 | Confident | 86.1 | Confident | 133 Ų | 133 | 65 Ų | 65 | 86% | 0.864 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 138.6 | 178.8 | 24.8 | -31.7 | 0 | 0 | 0 | 111.7 | ||
| 130 | G | 76.2 | Confident | 86.1 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 93% | 0.928 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -4.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 131 | Q | 77.7 | Confident | 86 | Confident | 54 Ų | 54 | 73.3 Ų | 73.3 | 25% | 0.252 | 43% | 0.432 | S | S | . | . | trans | -76.1 | 152.1 | 173.9 | -65.3 | -174.8 | -24.6 | 0 | 0 | 112.2 | E128 D135 S137 R157 | E128-Q131 HydrophobicContact CB-CG 4.16Å; E128-Q131 PolarHBondContact OE2-NE2 3.09Å; E128-Q131 VanDerWaalsContact OE2-NE2 3.16Å; Q131-D135 HydrophobicContact CB-CB 4.11Å; Q131-D135 PolarHBondContact OE1-OD2 3.36Å; Q131-S137 PolarHBondContact NE2-OG 2.83Å; Q131-R157 VanDerWaalsContact OE1-NH2 3.1Å | ||
| 132 | G | 77.6 | Confident | 85.8 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 50% | 0.495 | 43% | 0.426 | S | S | . | . | trans | -64.4 | 158 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S134 D135 | G132-S134 PolarHBondContact O-N 2.82Å; G132-D135 WeakPolarHBondContact O-CB 3.29Å; G132-D135 PolarHBondContact O-N 2.87Å; G132-D135 VanDerWaalsContact O-N 3.09Å | ||
| 133 | Q | 74.7 | Confident | 85.6 | Confident | 132 Ų | 132 | 78.3 Ų | 78.3 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -33.1 | -176.7 | -76.3 | -177.2 | -14.8 | 0 | 0 | 113.9 | D135 L154 | Q133-D135 VanDerWaalsContact C-N 3.33Å; Q133-L154 HydrophobicContact CB-CD2 4.18Å; Q133-L154 WeakPolarHBondContact O-CD2 3.49Å |
| 134 | S | 75.2 | Confident | 85.3 | Confident | 102 Ų | 102 | 73.4 Ų | 73.4 | 71% | 0.713 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 1.3 | -179.2 | 60.7 | 0 | 0 | 0 | 0 | 114.5 | G132 | G132-S134 PolarHBondContact O-N 2.82Š|
| 135 | D | 86.8 | Confident | 85.1 | Confident | 48 Ų | 48 | 74 Ų | 74 | 26% | 0.257 | 43% | 0.429 | S | S | . | . | trans | -73 | 128.8 | -178.6 | -171.4 | 86.3 | 0 | 0 | 0 | 111.7 | Q131 G132 Q133 S137 R157 | Q131-D135 HydrophobicContact CB-CB 4.11Å; Q131-D135 PolarHBondContact OE1-OD2 3.36Å; G132-D135 WeakPolarHBondContact O-CB 3.29Å; G132-D135 PolarHBondContact O-N 2.87Å; G132-D135 VanDerWaalsContact O-N 3.09Å; Q133-D135 VanDerWaalsContact C-N 3.33Å; D135-S137 VanDerWaalsContact OD2-CB 3.3Å; D135-S137 WeakPolarHBondContact OD2-CB 3.17Å; D135-S137 PolarHBondContact OD2-N 3.47Å; D135-S137 PolarHBondContact OD2-OG 2.91Å; D135-R157 PolarHBondContact O-NH1 3.23Å; D135-R157 PolarHBondContact O-NH2 3.06Å; D135-R157 IonicContact OD2-NH2 2.56Å | ||
| 136 | I | 88.9 | Confident | 84.9 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 22% | 0.215 | 45% | 0.449 | C | S | . | . | trans | -120 | 12.4 | 179.2 | 62.3 | 170.3 | 0 | 0 | 0 | 112.4 | H138 L139 E140 A149 A153 | I136-H138 VanDerWaalsContact C-N 3.27Å; I136-H138 PolarHBondContact O-N 3.29Å; I136-L139 WeakPolarHBondContact O-CB 3.28Å; I136-L139 PolarHBondContact O-N 3.46Å; I136-E140 PolarHBondContact O-N 2.9Å; I136-A149 HydrophobicContact CD1-CB 4.47Å; I136-A149 HydrophobicContact CG2-CB 4.47Å; I136-A153 HydrophobicContact CG2-CB 3.89Å | ||
| 137 | S | 88.3 | Confident | 84.9 | Confident | 45 Ų | 45 | 81.8 Ų | 81.8 | 32% | 0.315 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -58.1 | -39.1 | -171.8 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | Q131 D135 L139 E140 | Q131-S137 PolarHBondContact NE2-OG 2.83Å; D135-S137 VanDerWaalsContact OD2-CB 3.3Å; D135-S137 WeakPolarHBondContact OD2-CB 3.17Å; D135-S137 PolarHBondContact OD2-N 3.47Å; D135-S137 PolarHBondContact OD2-OG 2.91Å; S137-L139 PolarHBondContact O-N 3.07Å; S137-E140 PolarHBondContact O-N 3.34Å |
| 138 | H | 91.2 | Very high | 85.1 | Confident | 22 Ų | 22 | 80.2 Ų | 80.2 | 10% | 0.102 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -66.2 | -17 | 177.8 | 69.5 | -68.6 | 0 | 0 | 0 | 113.6 | P125 I136 Q156 | P125-H138 WeakPolarHBondContact CG-O 3.44Å; P125-H138 PolarHBondContact O-CD2 3.18Å; I136-H138 VanDerWaalsContact C-N 3.27Å; I136-H138 PolarHBondContact O-N 3.29Å; H138-Q156 PolarHBondContact NE2-OE1 3.45Å |
| 139 | L | 91.6 | Very high | 85.5 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.021 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -99.4 | -9.7 | 179.6 | -57.3 | 177.2 | 0 | 0 | 0 | 113.4 | I124 P125 I136 S137 I141 L142 A149 I152 A153 | I124-L139 HydrophobicContact CG2-CD2 3.67Å; P125-L139 HydrophobicContact CG-CD2 4.14Å; I136-L139 WeakPolarHBondContact O-CB 3.28Å; I136-L139 PolarHBondContact O-N 3.46Å; S137-L139 PolarHBondContact O-N 3.07Å; L139-I141 PolarHBondContact O-N 2.91Å; L139-L142 HydrophobicContact CD2-CD1 4.42Å; L139-L142 WeakPolarHBondContact O-CB 3.19Å; L139-L142 PolarHBondContact O-N 3.38Å; L139-A149 HydrophobicContact CD1-CB 4.17Å; L139-A149 VanDerWaalsContact CD1-O 3.27Å; L139-A149 WeakPolarHBondContact CD1-O 3.2Å; L139-I152 HydrophobicContact CD1-CB 4.02Å; L139-I152 HydrophobicContact CD1-CG2 3.86Å; L139-I152 HydrophobicContact CD2-CG2 4.24Å; L139-A153 HydrophobicContact CD1-CB 4.24Å |
| 140 | E | 86.2 | Confident | 86.1 | Confident | 136 Ų | 136 | 69.6 Ų | 69.6 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -58.6 | -34.4 | -175.7 | -71.1 | -178.7 | 176.1 | 0 | 0 | 112.4 | I136 S137 L142 E143 | I136-E140 PolarHBondContact O-N 2.9Å; S137-E140 PolarHBondContact O-N 3.34Å; E140-L142 PolarHBondContact O-N 3.09Å; E140-L142 VanDerWaalsContact O-N 3.13Å; E140-E143 PolarHBondContact O-N 3.2Å; E140-E143 VanDerWaalsContact O-N 3.16Å |
| 141 | I | 86.4 | Confident | 87 | Confident | 147 Ų | 147 | 65.3 Ų | 65.3 | 75% | 0.754 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -61.1 | -20.9 | 177.2 | -164 | 167.1 | 0 | 0 | 0 | 113.8 | L139 | L139-I141 PolarHBondContact O-N 2.91Š|
| 142 | L | 87 | Confident | 87.8 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -93.1 | -5.5 | -177.9 | -62.2 | -179.9 | 0 | 0 | 0 | 113.3 | I124 L139 E140 L144 | I124-L142 HydrophobicContact CD1-CD1 3.66Å; L139-L142 HydrophobicContact CD2-CD1 4.42Å; L139-L142 WeakPolarHBondContact O-CB 3.19Å; L139-L142 PolarHBondContact O-N 3.38Å; E140-L142 PolarHBondContact O-N 3.09Å; E140-L142 VanDerWaalsContact O-N 3.13Å; L142-L144 HydrophobicContact CB-CD1 4.14Å; L142-L144 HydrophobicContact CB-CD2 4.23Å; L142-L144 HydrophobicContact CB-CG 3.75Å; L142-L144 HydrophobicContact CD1-CD1 4.14Å; L142-L144 PolarHBondContact O-N 3.34Å; L142-L144 VanDerWaalsContact O-N 3.13Å |
| 143 | E | 85.9 | Confident | 88.5 | Confident | 172 Ų | 172 | 60.5 Ų | 60.5 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 37.8 | 179.4 | -60.7 | -178.2 | 166.6 | 0 | 0 | 113.3 | E140 | E140-E143 PolarHBondContact O-N 3.2Å; E140-E143 VanDerWaalsContact O-N 3.16Å |
| 144 | L | 88.4 | Confident | 89.3 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | trans | -73.9 | 147.6 | -178.4 | -60.4 | 175.7 | 0 | 0 | 0 | 111.5 | F6 I124 L142 K146 L148 A149 I152 | F6-L144 HydrophobicContact CD1-CD2 3.58Å; F6-L144 HydrophobicContact CD2-CD2 4.26Å; F6-L144 HydrophobicContact CE1-CD2 3.37Å; F6-L144 HydrophobicContact CE2-CD2 4.09Å; F6-L144 HydrophobicContact CG-CD2 4.02Å; F6-L144 HydrophobicContact CZ-CD2 3.66Å; I124-L144 HydrophobicContact CD1-CD1 4.42Å; L142-L144 HydrophobicContact CB-CD1 4.14Å; L142-L144 HydrophobicContact CB-CD2 4.23Å; L142-L144 HydrophobicContact CB-CG 3.75Å; L142-L144 HydrophobicContact CD1-CD1 4.14Å; L142-L144 PolarHBondContact O-N 3.34Å; L142-L144 VanDerWaalsContact O-N 3.13Å; L144-K146 PolarHBondContact O-N 3.02Å; L144-L148 HydrophobicContact CB-CD2 4.5Å; L144-L148 HydrophobicContact CD2-CD2 4.15Å; L144-A149 HydrophobicContact CB-CB 4.21Å; L144-I152 HydrophobicContact CD1-CD1 3.87Å | ||
| 145 | P | 90.4 | Very high | 90.1 | Very high | 20 Ų | 20 | 51 Ų | 51 | 13% | 0.13 | 25% | 0.249 | C | C | . | . | trans | -52.5 | 135.9 | 169.1 | -26.5 | 34.5 | 0 | 0 | 0 | 111 | F6 E7 R147 L148 A149 | F6-P145 HydrophobicContact CB-CG 3.88Å; E7-P145 HydrophobicContact CG-CG 4.5Å; P145-R147 PolarHBondContact O-N 3.43Å; P145-R147 VanDerWaalsContact O-N 3.09Å; P145-L148 HydrophobicContact CB-CB 4.44Å; P145-L148 WeakPolarHBondContact O-CA 3.42Å; P145-L148 WeakPolarHBondContact O-CB 3.38Å; P145-L148 PolarHBondContact O-N 3.32Å; P145-A149 PolarHBondContact O-N 2.91Å | ||
| 146 | K | 89.2 | Confident | 90.4 | Very high | 165 Ų | 165 | 49.1 Ų | 49.1 | 72% | 0.717 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -50.7 | -43 | -172.6 | -172.7 | 176.8 | -178.2 | 177.8 | 0 | 113.1 | L144 L148 A149 T150 | L144-K146 PolarHBondContact O-N 3.02Å; K146-L148 PolarHBondContact O-N 3.44Å; K146-A149 PolarHBondContact O-N 3.4Å; K146-T150 WeakPolarHBondContact O-CB 3.45Å; K146-T150 PolarHBondContact O-N 3.44Å; K146-T150 PolarHBondContact O-OG1 2.87Å |
| 147 | R | 90.8 | Very high | 90.4 | Very high | 121 Ų | 121 | 49.4 Ų | 49.4 | 46% | 0.457 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60 | -43.8 | 177.9 | 178.9 | 176.1 | 178.8 | 151.4 | -1.3 | 112.4 | S10 V13 I15 P145 S151 | S10-R147 PolarHBondContact O-NE 3.34Å; V13-R147 VanDerWaalsContact O-CZ 3.24Å; V13-R147 PolarHBondContact O-NE 3.3Å; V13-R147 PolarHBondContact O-NH2 2.76Å; I15-R147 HydrophobicContact CD1-CG 4.24Å; I15-R147 HydrophobicContact CG1-CG 4.21Å; P145-R147 PolarHBondContact O-N 3.43Å; P145-R147 VanDerWaalsContact O-N 3.09Å; R147-S151 WeakPolarHBondContact O-CB 3.19Å; R147-S151 PolarHBondContact O-N 3.47Å; R147-S151 VanDerWaalsContact O-N 3.11Å |
| 148 | L | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.4 | -47 | 178.3 | -179.6 | 64.2 | 0 | 0 | 0 | 110.5 | F6 V13 M44 L113 L144 P145 K146 T150 S151 I152 | F6-L148 HydrophobicContact CD1-CD2 4.09Å; V13-L148 HydrophobicContact CG2-CD1 3.86Å; M44-L148 HydrophobicContact CE-CD1 3.78Å; M44-L148 HydrophobicContact SD-CD1 4.26Å; L113-L148 HydrophobicContact CD1-CD1 4.35Å; L113-L148 HydrophobicContact CD2-CD2 3.97Å; L144-L148 HydrophobicContact CB-CD2 4.5Å; L144-L148 HydrophobicContact CD2-CD2 4.15Å; P145-L148 HydrophobicContact CB-CB 4.44Å; P145-L148 WeakPolarHBondContact O-CA 3.42Å; P145-L148 WeakPolarHBondContact O-CB 3.38Å; P145-L148 PolarHBondContact O-N 3.32Å; K146-L148 PolarHBondContact O-N 3.44Å; L148-T150 PolarHBondContact O-N 3.19Å; L148-S151 PolarHBondContact O-N 3.17Å; L148-I152 HydrophobicContact CD1-CD1 4.2Å; L148-I152 HydrophobicContact CD1-CG1 4.5Å; L148-I152 HydrophobicContact CG-CD1 4.04Å; L148-I152 WeakPolarHBondContact O-CG1 3.3Å; L148-I152 PolarHBondContact O-N 3.14Å |
| 149 | A | 92.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I136 L139 L144 P145 K146 S151 I152 A153 | I136-A149 HydrophobicContact CD1-CB 4.47Å; I136-A149 HydrophobicContact CG2-CB 4.47Å; L139-A149 HydrophobicContact CD1-CB 4.17Å; L139-A149 VanDerWaalsContact CD1-O 3.27Å; L139-A149 WeakPolarHBondContact CD1-O 3.2Å; L144-A149 HydrophobicContact CB-CB 4.21Å; P145-A149 PolarHBondContact O-N 2.91Å; K146-A149 PolarHBondContact O-N 3.4Å; A149-S151 PolarHBondContact O-N 3.44Å; A149-I152 PolarHBondContact O-N 2.73Å; A149-A153 WeakPolarHBondContact O-CB 3.37Å; A149-A153 PolarHBondContact O-N 2.75Å |
| 150 | T | 91.8 | Very high | 88.6 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 18% | 0.178 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 178 | -57.6 | 0 | 0 | 0 | 0 | 112 | I15 K146 L148 A153 L154 | I15-T150 HydrophobicContact CD1-CG2 4.24Å; I15-T150 HydrophobicContact CG2-CG2 4.04Å; K146-T150 WeakPolarHBondContact O-CB 3.45Å; K146-T150 PolarHBondContact O-N 3.44Å; K146-T150 PolarHBondContact O-OG1 2.87Å; L148-T150 PolarHBondContact O-N 3.19Å; T150-A153 PolarHBondContact O-N 2.84Å; T150-L154 HydrophobicContact CG2-CD1 4.08Å; T150-L154 WeakPolarHBondContact O-CG 3.49Å; T150-L154 PolarHBondContact O-N 3.16Å |
| 151 | S | 93.5 | Very high | 88 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 176.9 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | V13 R14 R147 L148 A149 A153 L154 I155 | V13-S151 WeakPolarHBondContact CG1-OG 3.25Å; R14-S151 WeakPolarHBondContact O-CB 3.44Å; R14-S151 PolarHBondContact O-OG 3.09Å; R147-S151 WeakPolarHBondContact O-CB 3.19Å; R147-S151 PolarHBondContact O-N 3.47Å; R147-S151 VanDerWaalsContact O-N 3.11Å; L148-S151 PolarHBondContact O-N 3.17Å; A149-S151 PolarHBondContact O-N 3.44Å; S151-A153 PolarHBondContact O-N 3.04Å; S151-L154 PolarHBondContact O-N 3.03Å; S151-I155 VanDerWaalsContact O-CG1 3.25Å; S151-I155 WeakPolarHBondContact O-CG1 3.43Å; S151-I155 PolarHBondContact O-N 2.77Å |
| 152 | I | 94.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.5 | -50.6 | 176.2 | -68.8 | 171.2 | 0 | 0 | 0 | 110.7 | M44 L68 I124 L139 L144 L148 A149 L154 I155 Q156 | M44-I152 HydrophobicContact CE-CD1 4.42Å; M44-I152 HydrophobicContact CE-CG1 3.52Å; L68-I152 HydrophobicContact CD1-CG2 4.49Å; L68-I152 HydrophobicContact CD2-CG2 4.45Å; I124-I152 HydrophobicContact CD1-CD1 4.17Å; I124-I152 HydrophobicContact CG2-CG2 3.67Å; L139-I152 HydrophobicContact CD1-CB 4.02Å; L139-I152 HydrophobicContact CD1-CG2 3.86Å; L139-I152 HydrophobicContact CD2-CG2 4.24Å; L144-I152 HydrophobicContact CD1-CD1 3.87Å; L148-I152 HydrophobicContact CD1-CD1 4.2Å; L148-I152 HydrophobicContact CD1-CG1 4.5Å; L148-I152 HydrophobicContact CG-CD1 4.04Å; L148-I152 WeakPolarHBondContact O-CG1 3.3Å; L148-I152 PolarHBondContact O-N 3.14Å; A149-I152 PolarHBondContact O-N 2.73Å; I152-L154 VanDerWaalsContact C-N 3.31Å; I152-L154 PolarHBondContact O-N 3.18Å; I152-I155 PolarHBondContact O-N 2.83Å; I152-Q156 HydrophobicContact CG2-CG 4.31Å; I152-Q156 WeakPolarHBondContact O-CG 3.39Å; I152-Q156 PolarHBondContact O-N 3.46Å |
| 153 | A | 92.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59 | -40.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I136 L139 A149 T150 S151 R157 | I136-A153 HydrophobicContact CG2-CB 3.89Å; L139-A153 HydrophobicContact CD1-CB 4.24Å; A149-A153 WeakPolarHBondContact O-CB 3.37Å; A149-A153 PolarHBondContact O-N 2.75Å; T150-A153 PolarHBondContact O-N 2.84Å; S151-A153 PolarHBondContact O-N 3.04Å; A153-R157 WeakPolarHBondContact O-CB 3.48Å; A153-R157 WeakPolarHBondContact O-CG 3.47Å; A153-R157 PolarHBondContact O-N 2.8Å; A153-R157 VanDerWaalsContact O-N 3.17Å |
| 154 | L | 91.7 | Very high | 85.3 | Confident | 35 Ų | 35 | 32.8 Ų | 32.8 | 18% | 0.183 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.5 | -39.9 | 176.3 | -71.6 | 173.4 | 0 | 0 | 0 | 112.2 | I15 P16 Q133 T150 S151 I152 R157 A158 | I15-L154 HydrophobicContact CG2-CD1 3.47Å; I15-L154 VanDerWaalsContact CG2-CD1 3.47Å; P16-L154 HydrophobicContact CG-CB 4.02Å; Q133-L154 HydrophobicContact CB-CD2 4.18Å; Q133-L154 WeakPolarHBondContact O-CD2 3.49Å; T150-L154 HydrophobicContact CG2-CD1 4.08Å; T150-L154 WeakPolarHBondContact O-CG 3.49Å; T150-L154 PolarHBondContact O-N 3.16Å; S151-L154 PolarHBondContact O-N 3.03Å; I152-L154 VanDerWaalsContact C-N 3.31Å; I152-L154 PolarHBondContact O-N 3.18Å; L154-R157 CarbonylContact O-C 3.57Å; L154-R157 PolarHBondContact O-N 2.85Å; L154-A158 WeakPolarHBondContact O-CA 3.35Å; L154-A158 VanDerWaalsContact O-CB 3.28Å; L154-A158 WeakPolarHBondContact O-CB 3.41Å; L154-A158 PolarHBondContact O-N 3.48Å |
| 155 | I | 92.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.7 | -42.6 | 176.9 | -67.2 | 165.6 | 0 | 0 | 0 | 111.3 | P16 V22 I42 M44 F47 L68 W111 S151 I152 R157 A158 | P16-I155 HydrophobicContact CG-CG1 4.05Å; V22-I155 HydrophobicContact CG1-CG2 4.29Å; I42-I155 HydrophobicContact CD1-CG2 3.81Å; I42-I155 HydrophobicContact CG2-CG2 4.19Å; M44-I155 HydrophobicContact CB-CD1 4.49Å; M44-I155 HydrophobicContact CE-CD1 4.22Å; M44-I155 HydrophobicContact CG-CD1 4.17Å; F47-I155 HydrophobicContact CD1-CD1 4.04Å; F47-I155 HydrophobicContact CD1-CG1 4.2Å; F47-I155 HydrophobicContact CE1-CD1 4.06Å; F47-I155 HydrophobicContact CE1-CG1 4.36Å; L68-I155 HydrophobicContact CD2-CB 4.21Å; L68-I155 HydrophobicContact CD2-CG2 3.78Å; W111-I155 HydrophobicContact CZ3-CG2 4.4Å; S151-I155 VanDerWaalsContact O-CG1 3.25Å; S151-I155 WeakPolarHBondContact O-CG1 3.43Å; S151-I155 PolarHBondContact O-N 2.77Å; I152-I155 PolarHBondContact O-N 2.83Å; I155-R157 VanDerWaalsContact C-N 3.33Å; I155-R157 PolarHBondContact O-N 3.36Å; I155-A158 PolarHBondContact O-N 3.33Å |
| 156 | Q | 92.6 | Very high | 82.7 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 176.9 | -73.6 | -178 | -56 | 0 | 0 | 111 | K24 L68 W111 P125 P127 H138 I152 | K24-Q156 PolarHBondContact NZ-O 3.18Å; K24-Q156 VanDerWaalsContact NZ-O 3.13Å; L68-Q156 HydrophobicContact CD2-CG 4.42Å; W111-Q156 HydrophobicContact CD2-CG 3.88Å; W111-Q156 HydrophobicContact CE3-CG 4.22Å; W111-Q156 HydrophobicContact CG-CG 4.29Å; W111-Q156 HydrophobicContact CH2-CG 4.35Å; W111-Q156 HydrophobicContact CZ2-CB 4.31Å; W111-Q156 HydrophobicContact CZ2-CG 4.07Å; W111-Q156 HydrophobicContact CZ3-CG 4.42Å; P125-Q156 PolarHBondContact O-NE2 2.9Å; P127-Q156 HydrophobicContact CG-CB 4.24Å; H138-Q156 PolarHBondContact NE2-OE1 3.45Å; I152-Q156 HydrophobicContact CG2-CG 4.31Å; I152-Q156 WeakPolarHBondContact O-CG 3.39Å; I152-Q156 PolarHBondContact O-N 3.46Å |
| 157 | R | 88.2 | Confident | 81.2 | Confident | 48 Ų | 48 | 33 Ų | 33 | 18% | 0.181 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -84.9 | -11.4 | -178.5 | -65.9 | -175.4 | 178.5 | 91.8 | -7.4 | 114.6 | P127 Q131 D135 A153 L154 I155 E159 | P127-R157 HydrophobicContact CB-CG 4.45Å; P127-R157 VanDerWaalsContact CB-CZ 3.46Å; P127-R157 HydrophobicContact CG-CG 4.32Å; Q131-R157 VanDerWaalsContact OE1-NH2 3.1Å; D135-R157 PolarHBondContact O-NH1 3.23Å; D135-R157 PolarHBondContact O-NH2 3.06Å; D135-R157 IonicContact OD2-NH2 2.56Å; A153-R157 WeakPolarHBondContact O-CB 3.48Å; A153-R157 WeakPolarHBondContact O-CG 3.47Å; A153-R157 PolarHBondContact O-N 2.8Å; A153-R157 VanDerWaalsContact O-N 3.17Å; L154-R157 CarbonylContact O-C 3.57Å; L154-R157 PolarHBondContact O-N 2.85Å; I155-R157 VanDerWaalsContact C-N 3.33Å; I155-R157 PolarHBondContact O-N 3.36Å; R157-E159 PolarHBondContact O-N 3.3Å |
| 158 | A | 84.4 | Confident | 79.5 | Confident | 21 Ų | 21 | 30 Ų | 30 | 17% | 0.174 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -57.3 | 130.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | V22 K24 L154 I155 S160 | V22-A158 HydrophobicContact CB-CB 3.78Å; V22-A158 HydrophobicContact CG1-CB 4.27Å; V22-A158 HydrophobicContact CG2-CB 3.61Å; K24-A158 WeakPolarHBondContact CE-O 3.41Å; K24-A158 PolarHBondContact NZ-O 3.46Å; L154-A158 WeakPolarHBondContact O-CA 3.35Å; L154-A158 VanDerWaalsContact O-CB 3.28Å; L154-A158 WeakPolarHBondContact O-CB 3.41Å; L154-A158 PolarHBondContact O-N 3.48Å; I155-A158 PolarHBondContact O-N 3.33Å; A158-S160 PolarHBondContact O-N 3.43Å |
| 159 | E | 77.9 | Confident | 77.6 | Confident | 108 Ų | 108 | 33.3 Ų | 33.3 | 51% | 0.505 | 18% | 0.177 | S | C | . | . | P | Polyproline II helix | trans | -65.7 | 137.6 | 170.8 | -162.8 | 170.2 | -142.2 | 0 | 0 | 108.3 | R157 V161 A164 R167 | R157-E159 PolarHBondContact O-N 3.3Å; E159-V161 PolarHBondContact O-N 2.85Å; E159-A164 HydrophobicContact CG-CB 4.04Å; E159-R167 IonicContact OE1-CZ 3.92Å; E159-R167 IonicContact OE1-NH1 3.42Å; E159-R167 PolarHBondContact OE1-NH1 2.77Å; E159-R167 IonicContact OE1-NH2 3.67Å; E159-R167 PolarHBondContact OE1-NH2 2.93Å |
| 160 | S | 72.2 | Confident | 75.7 | Confident | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 125.7 | 172.6 | 147.9 | 0 | 0 | 0 | 0 | 108.9 | D25 A158 L162 L163 A164 | D25-S160 WeakPolarHBondContact OD1-CB 3.47Å; D25-S160 PolarHBondContact OD1-OG 2.9Å; D25-S160 WeakPolarHBondContact OD2-CB 3.46Å; D25-S160 PolarHBondContact OD2-OG 3Å; A158-S160 PolarHBondContact O-N 3.43Å; S160-L162 VanDerWaalsContact C-N 3.26Å; S160-L162 PolarHBondContact O-N 3.28Å; S160-L162 PolarHBondContact OG-N 3.12Å; S160-L163 PolarHBondContact O-N 3.29Å; S160-L163 VanDerWaalsContact OG-CB 3.25Å; S160-L163 WeakPolarHBondContact OG-CB 3.33Å; S160-L163 VanDerWaalsContact OG-CG 3.25Å; S160-L163 WeakPolarHBondContact OG-CG 3.41Å; S160-L163 PolarHBondContact OG-N 3.23Å; S160-A164 WeakPolarHBondContact O-CB 3.28Å; S160-A164 PolarHBondContact O-N 3.49Å |
| 161 | V | 74 | Confident | 73.5 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 177.8 | 176 | 0 | 0 | 0 | 0 | 110.1 | K21 V22 F23 E159 A164 E165 | K21-V161 HydrophobicContact CB-CG1 4.43Å; K21-V161 HydrophobicContact CB-CG2 3.49Å; K21-V161 VanDerWaalsContact CB-CG2 3.49Å; K21-V161 HydrophobicContact CD-CG1 3.85Å; K21-V161 HydrophobicContact CD-CG2 4.4Å; K21-V161 HydrophobicContact CG-CG1 4.19Å; K21-V161 HydrophobicContact CG-CG2 3.85Å; V22-V161 VanDerWaalsContact N-CG2 3.35Å; V22-V161 WeakPolarHBondContact O-CG2 3.2Å; F23-V161 HydrophobicContact CD1-CB 4.28Å; F23-V161 HydrophobicContact CD1-CG1 4.35Å; F23-V161 HydrophobicContact CE1-CB 4.22Å; F23-V161 HydrophobicContact CE1-CG1 3.8Å; F23-V161 HydrophobicContact CZ-CG1 4.21Å; E159-V161 PolarHBondContact O-N 2.85Å; V161-A164 PolarHBondContact O-N 2.85Å; V161-E165 HydrophobicContact CG1-CG 4.37Å; V161-E165 WeakPolarHBondContact CG1-OE1 3.32Å; V161-E165 VanDerWaalsContact O-CB 3.28Å; V161-E165 WeakPolarHBondContact O-CB 3.38Å; V161-E165 VanDerWaalsContact O-CG 3.25Å; V161-E165 WeakPolarHBondContact O-CG 3.41Å; V161-E165 PolarHBondContact O-N 3.11Å |
| 162 | L | 70.4 | Confident | 71.4 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.5 | -41 | -178.1 | -56.3 | -174.9 | 0 | 0 | 0 | 111.3 | D25 S160 E166 I430 L431 | D25-L162 HydrophobicContact CB-CB 4.36Å; D25-L162 HydrophobicContact CB-CD1 3.69Å; D25-L162 HydrophobicContact CB-CG 4.25Å; S160-L162 VanDerWaalsContact C-N 3.26Å; S160-L162 PolarHBondContact O-N 3.28Å; S160-L162 PolarHBondContact OG-N 3.12Å; L162-E166 WeakPolarHBondContact O-CB 3.48Å; L162-E166 PolarHBondContact O-N 3.48Å; L162-I430 HydrophobicContact CB-CG2 4.02Å; L162-I430 HydrophobicContact CD1-CB 4.45Å; L162-I430 HydrophobicContact CD1-CG2 3.69Å; L162-I430 HydrophobicContact CD2-CG2 4.02Å; L162-I430 HydrophobicContact CG-CG2 4.11Å; L162-L431 HydrophobicContact CD1-CD2 3.83Å; L162-L431 HydrophobicContact CD1-CG 4.37Å; L162-L431 HydrophobicContact CD2-CD2 3.82Å; L162-L431 HydrophobicContact CG-CD2 4.41Å |
| 163 | L | 67.4 | Low | 69.1 | Low | 54 Ų | 54 | 44.3 Ų | 44.3 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -71.4 | -32.8 | 176.4 | -68.2 | 175.8 | 0 | 0 | 0 | 112.7 | S160 R167 | S160-L163 PolarHBondContact O-N 3.29Å; S160-L163 VanDerWaalsContact OG-CB 3.25Å; S160-L163 WeakPolarHBondContact OG-CB 3.33Å; S160-L163 VanDerWaalsContact OG-CG 3.25Å; S160-L163 WeakPolarHBondContact OG-CG 3.41Å; S160-L163 PolarHBondContact OG-N 3.23Å; L163-R167 WeakPolarHBondContact O-CB 3.44Å; L163-R167 PolarHBondContact O-N 3Å; L163-R167 PolarHBondContact O-NE 3.29Å |
| 164 | A | 63.4 | Low | 67 | Low | 26 Ų | 26 | 48.5 Ų | 48.5 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.9 | -48.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E159 S160 V161 E166 R167 A168 | E159-A164 HydrophobicContact CG-CB 4.04Å; S160-A164 WeakPolarHBondContact O-CB 3.28Å; S160-A164 PolarHBondContact O-N 3.49Å; V161-A164 PolarHBondContact O-N 2.85Å; A164-E166 VanDerWaalsContact C-N 3.31Å; A164-E166 PolarHBondContact O-N 3.49Å; A164-R167 PolarHBondContact O-N 2.71Å; A164-A168 VanDerWaalsContact O-CB 3.29Å; A164-A168 WeakPolarHBondContact O-CB 3.46Å; A164-A168 PolarHBondContact O-N 2.96Å |
| 165 | E | 64.4 | Low | 64.9 | Low | 49 Ų | 49 | 52 Ų | 52 | 23% | 0.229 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 173.9 | -72.2 | 175.1 | 180 | 0 | 0 | 110.6 | K21 V161 N169 R434 | K21-E165 IonicContact NZ-OE1 3.48Å; K21-E165 PolarHBondContact NZ-OE1 2.97Å; V161-E165 HydrophobicContact CG1-CG 4.37Å; V161-E165 WeakPolarHBondContact CG1-OE1 3.32Å; V161-E165 VanDerWaalsContact O-CB 3.28Å; V161-E165 WeakPolarHBondContact O-CB 3.38Å; V161-E165 VanDerWaalsContact O-CG 3.25Å; V161-E165 WeakPolarHBondContact O-CG 3.41Å; V161-E165 PolarHBondContact O-N 3.11Å; E165-N169 VanDerWaalsContact O-CB 3.23Å; E165-N169 WeakPolarHBondContact O-CB 3.43Å; E165-N169 PolarHBondContact O-N 2.93Å; E165-N169 VanDerWaalsContact O-N 3.07Å; E165-N169 PolarHBondContact O-ND2 3.1Å; E165-N169 VanDerWaalsContact O-ND2 3.17Å; E165-R434 IonicContact OE1-NE 2.7Å; E165-R434 PolarHBondContact OE1-NE 3.02Å; E165-R434 WeakPolarHBondContact OE2-CD 3.32Å; E165-R434 WeakPolarHBondContact OE2-CG 3.42Å; E165-R434 IonicContact OE2-NE 3.61Å; E165-R434 PolarHBondContact OE2-NE 3.33Å |
| 166 | E | 59.6 | Low | 62.8 | Low | 72 Ų | 72 | 55.9 Ų | 55.9 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 173.7 | -167 | -180 | -178.8 | 0 | 0 | 111.3 | L162 A164 S170 R446 | L162-E166 WeakPolarHBondContact O-CB 3.48Å; L162-E166 PolarHBondContact O-N 3.48Å; A164-E166 VanDerWaalsContact C-N 3.31Å; A164-E166 PolarHBondContact O-N 3.49Å; E166-S170 PolarHBondContact O-N 3.25Å; E166-S170 PolarHBondContact O-OG 3.22Å; E166-S170 VanDerWaalsContact O-OG 3.06Å; E166-R446 PolarHBondContact O-NH2 3.49Å |
| 167 | R | 58.8 | Low | 60.7 | Low | 91 Ų | 91 | 60.1 Ų | 60.1 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 179.1 | -86.3 | -177.4 | -78.2 | 149.3 | -5.6 | 113.3 | F100 E159 L163 A164 N169 S170 L171 | F100-R167 HydrophobicContact CE1-CG 4.32Å; F100-R167 HydrophobicContact CZ-CG 4.19Å; E159-R167 IonicContact OE1-CZ 3.92Å; E159-R167 IonicContact OE1-NH1 3.42Å; E159-R167 PolarHBondContact OE1-NH1 2.77Å; E159-R167 IonicContact OE1-NH2 3.67Å; E159-R167 PolarHBondContact OE1-NH2 2.93Å; L163-R167 WeakPolarHBondContact O-CB 3.44Å; L163-R167 PolarHBondContact O-N 3Å; L163-R167 PolarHBondContact O-NE 3.29Å; A164-R167 PolarHBondContact O-N 2.71Å; R167-N169 VanDerWaalsContact C-N 3.29Å; R167-N169 PolarHBondContact O-N 2.92Å; R167-S170 PolarHBondContact O-N 3.37Å; R167-L171 PolarHBondContact O-N 3.06Å; R167-L171 VanDerWaalsContact O-N 3.1Å |
| 168 | A | 55.6 | Low | 59 | Low | 56 Ų | 56 | 60.9 Ų | 60.9 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A164 K172 | A164-A168 VanDerWaalsContact O-CB 3.29Å; A164-A168 WeakPolarHBondContact O-CB 3.46Å; A164-A168 PolarHBondContact O-N 2.96Å; A168-K172 PolarHBondContact O-N 3.39Å |
| 169 | N | 52.6 | Low | 57.6 | Low | 71 Ų | 71 | 65.2 Ų | 65.2 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -73.5 | -29.6 | 178.3 | -68.1 | -19.9 | 0 | 0 | 0 | 113 | E165 R167 A173 R446 | E165-N169 VanDerWaalsContact O-CB 3.23Å; E165-N169 WeakPolarHBondContact O-CB 3.43Å; E165-N169 PolarHBondContact O-N 2.93Å; E165-N169 VanDerWaalsContact O-N 3.07Å; E165-N169 PolarHBondContact O-ND2 3.1Å; E165-N169 VanDerWaalsContact O-ND2 3.17Å; R167-N169 VanDerWaalsContact C-N 3.29Å; R167-N169 PolarHBondContact O-N 2.92Å; N169-A173 VanDerWaalsContact O-CB 3.26Å; N169-A173 WeakPolarHBondContact O-CB 3.28Å; N169-A173 PolarHBondContact O-N 3.4Å; N169-R446 HydrophobicContact CB-CG 4.24Å; N169-R446 WeakPolarHBondContact O-CD 3.24Å |
| 170 | S | 50.6 | Low | 57 | Low | 19 Ų | 19 | 62.3 Ų | 62.3 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70 | -41.5 | 176.2 | -70.1 | 0 | 0 | 0 | 0 | 112.7 | E166 R167 W174 R446 | E166-S170 PolarHBondContact O-N 3.25Å; E166-S170 PolarHBondContact O-OG 3.22Å; E166-S170 VanDerWaalsContact O-OG 3.06Å; R167-S170 PolarHBondContact O-N 3.37Å; S170-W174 WeakPolarHBondContact O-CB 3.44Å; S170-W174 PolarHBondContact O-N 2.69Å; S170-W174 VanDerWaalsContact O-N 3.15Å; S170-R446 PolarHBondContact OG-NE 3.21Å; S170-R446 PolarHBondContact OG-NH2 3.03Å |
| 171 | L | 46.6 | Very low | 57.2 | Low | 105 Ų | 105 | 65.9 Ų | 65.9 | 55% | 0.55 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 174.4 | -84.3 | 148.5 | 0 | 0 | 0 | 110.5 | R167 W174 E175 | R167-L171 PolarHBondContact O-N 3.06Å; R167-L171 VanDerWaalsContact O-N 3.1Å; L171-W174 PolarHBondContact O-N 2.87Å; L171-E175 WeakPolarHBondContact O-CB 3.25Å; L171-E175 VanDerWaalsContact O-CG 3.27Å; L171-E175 WeakPolarHBondContact O-CG 3.37Å; L171-E175 PolarHBondContact O-N 3.19Å |
| 172 | K | 49.1 | Very low | 57.7 | Low | 125 Ų | 125 | 70.1 Ų | 70.1 | 54% | 0.543 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | -179.3 | -169.5 | 176.1 | -179.5 | -177.1 | 0 | 113.2 | A168 W174 E175 D176 | A168-K172 PolarHBondContact O-N 3.39Å; K172-W174 VanDerWaalsContact C-N 3.35Å; K172-W174 PolarHBondContact O-N 3.19Å; K172-E175 PolarHBondContact O-N 3.2Å; K172-D176 WeakPolarHBondContact O-CB 3.28Å; K172-D176 PolarHBondContact O-N 3.07Å |
| 173 | A | 45.8 | Very low | 58.4 | Low | 15 Ų | 15 | 69.7 Ų | 69.7 | 12% | 0.124 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.6 | -37 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N169 D177 R446 | N169-A173 VanDerWaalsContact O-CB 3.26Å; N169-A173 WeakPolarHBondContact O-CB 3.28Å; N169-A173 PolarHBondContact O-N 3.4Å; A173-D177 WeakPolarHBondContact O-CB 3.48Å; A173-D177 PolarHBondContact O-N 3.06Å; A173-R446 HydrophobicContact CB-CB 3.68Å; A173-R446 HydrophobicContact CB-CG 4.18Å |
| 174 | W | 49.5 | Very low | 59.3 | Low | 90 Ų | 90 | 70.9 Ų | 70.9 | 34% | 0.341 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.1 | -40 | 174.4 | -178.2 | 76.5 | 0 | 0 | 0 | 112.1 | V94 S170 L171 K172 N178 | V94-W174 HydrophobicContact CG1-CB 4.24Å; V94-W174 HydrophobicContact CG1-CD2 4.38Å; V94-W174 HydrophobicContact CG1-CG 3.94Å; S170-W174 WeakPolarHBondContact O-CB 3.44Å; S170-W174 PolarHBondContact O-N 2.69Å; S170-W174 VanDerWaalsContact O-N 3.15Å; L171-W174 PolarHBondContact O-N 2.87Å; K172-W174 VanDerWaalsContact C-N 3.35Å; K172-W174 PolarHBondContact O-N 3.19Å; W174-N178 HydrophobicContact CZ2-CB 4.27Å; W174-N178 PolarHBondContact NE1-ND2 2.84Å; W174-N178 WeakPolarHBondContact O-CB 3.33Å; W174-N178 PolarHBondContact O-N 3.11Å; W174-N178 VanDerWaalsContact O-N 3.07Å; W174-N178 PolarHBondContact O-ND2 3.32Å |
| 175 | E | 47.2 | Very low | 60.5 | Low | 107 Ų | 107 | 74.3 Ų | 74.3 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 173 | -75.9 | 171.4 | 178 | 0 | 0 | 110.9 | L171 K172 N178 I179 | L171-E175 WeakPolarHBondContact O-CB 3.25Å; L171-E175 VanDerWaalsContact O-CG 3.27Å; L171-E175 WeakPolarHBondContact O-CG 3.37Å; L171-E175 PolarHBondContact O-N 3.19Å; K172-E175 PolarHBondContact O-N 3.2Å; E175-N178 CarbonylContact O-C 3.58Å; E175-N178 PolarHBondContact O-N 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.33Å; E175-I179 PolarHBondContact O-N 3.31Å |
| 176 | D | 48.3 | Very low | 61.6 | Low | 82 Ų | 82 | 72 Ų | 72 | 44% | 0.439 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | -179.8 | -70.3 | -20.6 | 0 | 0 | 0 | 112.5 | K172 | K172-D176 WeakPolarHBondContact O-CB 3.28Å; K172-D176 PolarHBondContact O-N 3.07Å |
| 177 | D | 49.4 | Very low | 62.9 | Low | 97 Ų | 97 | 72.6 Ų | 72.6 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -78.1 | -17.2 | -179.8 | -72.9 | -13.8 | 0 | 0 | 0 | 113.4 | A173 | A173-D177 WeakPolarHBondContact O-CB 3.48Å; A173-D177 PolarHBondContact O-N 3.06Å |
| 178 | N | 51.7 | Low | 64.2 | Low | 64 Ų | 64 | 75.2 Ų | 75.2 | 34% | 0.342 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | 29.7 | -177.6 | -62.2 | -94.1 | 0 | 0 | 0 | 113.5 | W174 E175 C180 | W174-N178 HydrophobicContact CZ2-CB 4.27Å; W174-N178 PolarHBondContact NE1-ND2 2.84Å; W174-N178 WeakPolarHBondContact O-CB 3.33Å; W174-N178 PolarHBondContact O-N 3.11Å; W174-N178 VanDerWaalsContact O-N 3.07Å; W174-N178 PolarHBondContact O-ND2 3.32Å; E175-N178 CarbonylContact O-C 3.58Å; E175-N178 PolarHBondContact O-N 3.31Å; N178-C180 PolarHBondContact O-N 3.1Å |
| 179 | I | 55.2 | Low | 65.9 | Low | 113 Ų | 113 | 73.4 Ų | 73.4 | 58% | 0.579 | 37% | 0.374 | S | S | * | . | trans | -64.2 | 86.4 | 174.4 | -52.9 | -179.8 | 0 | 0 | 0 | 109.8 | E175 F181 | E175-I179 WeakPolarHBondContact O-CG1 3.33Å; E175-I179 PolarHBondContact O-N 3.31Å; I179-F181 PolarHBondContact O-N 2.8Å | ||
| 180 | C | 64.4 | Low | 67.5 | Low | 46 Ų | 46 | 73.6 Ų | 73.6 | 31% | 0.311 | 39% | 0.386 | S | S | . | . | trans | -82.3 | 89.2 | 160.5 | -68.5 | 0 | 0 | 0 | 0 | 106.8 | N178 T274 | N178-C180 PolarHBondContact O-N 3.1Å; C180-T274 WeakPolarHBondContact CB-OG1 3.17Å; C180-T274 PolarHBondContact O-OG1 2.98Å | ||
| 181 | F | 77.3 | Confident | 69.5 | Low | 82 Ų | 82 | 74.7 Ų | 74.7 | 36% | 0.36 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 153.5 | 174.3 | 60.3 | -88.5 | 0 | 0 | 0 | 110.2 | I179 S183 E269 V273 T274 | I179-F181 PolarHBondContact O-N 2.8Å; F181-S183 PolarHBondContact O-N 3.1Å; F181-E269 HydrophobicContact CE2-CB 4.36Å; F181-E269 VanDerWaalsContact CE2-CD 3.5Å; F181-E269 HydrophobicContact CE2-CG 4.25Å; F181-E269 HydrophobicContact CZ-CB 3.9Å; F181-E269 HydrophobicContact CZ-CG 4.27Å; F181-V273 HydrophobicContact CD2-CG1 4.38Å; F181-V273 HydrophobicContact CE1-CG1 4.39Å; F181-V273 HydrophobicContact CE2-CG1 3.83Å; F181-V273 HydrophobicContact CZ-CG1 3.83Å; F181-V273 WeakPolarHBondContact O-CA 3.4Å; F181-T274 PolarHBondContact O-N 2.83Å |
| 182 | I | 84.3 | Confident | 71.5 | Confident | 98 Ų | 98 | 72.8 Ų | 72.8 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -65.4 | 120.2 | 174.4 | -64.6 | 171.2 | 0 | 0 | 0 | 107.3 | S184 A186 M187 T274 P276 | I182-S184 PolarHBondContact O-N 3.08Å; I182-A186 HydrophobicContact CG2-CB 4.45Å; I182-M187 HydrophobicContact CG2-CE 4.34Å; I182-T274 WeakPolarHBondContact CA-O 3.44Å; I182-P276 HydrophobicContact CB-CG 4.5Å; I182-P276 HydrophobicContact CD1-CG 3.89Å; I182-P276 HydrophobicContact CG1-CG 3.94Å; I182-P276 HydrophobicContact CG2-CG 3.78Å |
| 183 | S | 85.1 | Confident | 73.2 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.014 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 138.4 | -179.9 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | F181 Y185 A186 E269 T274 | F181-S183 PolarHBondContact O-N 3.1Å; S183-Y185 PolarHBondContact O-N 3.15Å; S183-Y185 PolarHBondContact OG-N 3.18Å; S183-A186 WeakPolarHBondContact O-CB 3.22Å; S183-A186 PolarHBondContact O-N 2.83Å; S183-E269 WeakPolarHBondContact CB-OE2 3.34Å; S183-E269 PolarHBondContact OG-OE2 3.39Å; S183-T274 PolarHBondContact N-O 3.01Å |
| 184 | S | 86.7 | Confident | 75.1 | Confident | 79 Ų | 79 | 76.1 Ų | 76.1 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -20.9 | 172.4 | 56 | 0 | 0 | 0 | 0 | 113.1 | I182 E269 | I182-S184 PolarHBondContact O-N 3.08Å; S184-E269 WeakPolarHBondContact CB-OE1 3.29Å; S184-E269 PolarHBondContact N-OE1 3.12Å; S184-E269 VanDerWaalsContact N-OE1 3.11Å; S184-E269 PolarHBondContact OG-OE1 3Å |
| 185 | Y | 88.3 | Confident | 76.8 | Confident | 98 Ų | 98 | 77.2 Ų | 77.2 | 38% | 0.384 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -17.2 | 179.8 | -58.4 | -82.5 | 0 | 0 | 0 | 114.1 | S183 M187 L189 P249 P268 E269 | S183-Y185 PolarHBondContact O-N 3.15Å; S183-Y185 PolarHBondContact OG-N 3.18Å; Y185-M187 PolarHBondContact O-N 3.19Å; Y185-L189 WeakPolarHBondContact O-CB 3.16Å; Y185-L189 PolarHBondContact O-N 3.34Å; Y185-P249 HydrophobicContact CD1-CB 3.93Å; Y185-P249 HydrophobicContact CD1-CG 3.94Å; Y185-P249 HydrophobicContact CD2-CB 4.04Å; Y185-P249 HydrophobicContact CE1-CB 4.44Å; Y185-P249 HydrophobicContact CG-CB 3.71Å; Y185-P249 HydrophobicContact CG-CG 3.9Å; Y185-P268 HydrophobicContact CD2-CG 4.28Å; Y185-P268 HydrophobicContact CE2-CB 3.65Å; Y185-P268 HydrophobicContact CE2-CG 3.7Å; Y185-E269 HydrophobicContact CE2-CG 4.35Å |
| 186 | A | 86.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -62.2 | -42.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I182 S183 N188 L250 D275 H281 | I182-A186 HydrophobicContact CG2-CB 4.45Å; S183-A186 WeakPolarHBondContact O-CB 3.22Å; S183-A186 PolarHBondContact O-N 2.83Å; A186-N188 PolarHBondContact O-N 2.85Å; A186-L250 HydrophobicContact CB-CD1 4.27Å; A186-D275 HydrophobicContact CB-CB 4.23Å; A186-H281 PolarHBondContact O-CE1 3.16Å; A186-H281 VanDerWaalsContact O-CE1 3.3Å |
| 187 | M | 87.7 | Confident | 80.7 | Confident | 84 Ų | 84 | 78.6 Ų | 78.6 | 41% | 0.414 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -70.4 | -29.4 | -172.4 | -68.3 | -62.3 | 179.3 | 0 | 0 | 114.4 | I182 Y185 P276 K277 | I182-M187 HydrophobicContact CG2-CE 4.34Å; Y185-M187 PolarHBondContact O-N 3.19Å; M187-P276 HydrophobicContact CE-CB 3.99Å; M187-P276 HydrophobicContact CE-CG 3.75Å; M187-K277 PolarHBondContact O-NZ 2.65Å |
| 188 | N | 86.7 | Confident | 82.5 | Confident | 147 Ų | 147 | 74.7 Ų | 74.7 | 79% | 0.786 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -114.9 | 13.5 | -173.3 | -64.9 | -36.6 | 0 | 0 | 0 | 112.8 | A186 A190 | A186-N188 PolarHBondContact O-N 2.85Å; N188-A190 PolarHBondContact O-N 2.67Å |
| 189 | L | 89.6 | Confident | 84.1 | Confident | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.089 | 41% | 0.406 | C | S | . | . | trans | -67.8 | 115.2 | -179.2 | -166.7 | 74.9 | 0 | 0 | 0 | 110.3 | Y185 Q191 L218 P249 L250 | Y185-L189 WeakPolarHBondContact O-CB 3.16Å; Y185-L189 PolarHBondContact O-N 3.34Å; L189-Q191 PolarHBondContact O-NE2 3.33Å; L189-Q191 VanDerWaalsContact O-NE2 3.11Å; L189-L218 HydrophobicContact CD2-CB 3.4Å; L189-L218 VanDerWaalsContact CD2-CB 3.4Å; L189-L218 HydrophobicContact CD2-CD1 4.44Å; L189-P249 HydrophobicContact CD1-CG 3.62Å; L189-L250 HydrophobicContact CD1-CD1 4.46Å; L189-L250 HydrophobicContact CD2-CB 4.28Å; L189-L250 HydrophobicContact CD2-CD1 4.12Å | ||
| 190 | A | 87.3 | Confident | 85.3 | Confident | 75 Ų | 75 | 74.5 Ų | 74.5 | 62% | 0.62 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -93.4 | 122.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | N188 | N188-A190 PolarHBondContact O-N 2.67Š|
| 191 | Q | 91.5 | Very high | 86.2 | Confident | 42 Ų | 42 | 76.4 Ų | 76.4 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 131.9 | 174 | -65.4 | 65.4 | 52.3 | 0 | 0 | 111 | L189 L218 T219 H281 H284 F285 | L189-Q191 PolarHBondContact O-NE2 3.33Å; L189-Q191 VanDerWaalsContact O-NE2 3.11Å; Q191-L218 WeakPolarHBondContact CG-O 3.42Å; Q191-L218 PolarHBondContact NE2-O 3.07Å; Q191-T219 WeakPolarHBondContact CA-O 3.31Å; Q191-H281 VanDerWaalsContact CD-CD2 3.49Å; Q191-H281 PolarHBondContact NE2-CD2 3.03Å; Q191-H281 VanDerWaalsContact NE2-CG 3.34Å; Q191-H284 HydrophobicContact CB-CB 4.24Å; Q191-H284 WeakPolarHBondContact CB-CD2 3.18Å; Q191-H284 WeakPolarHBondContact CB-NE2 3.41Å; Q191-H284 HydrophobicContact CG-CB 4.05Å; Q191-F285 HydrophobicContact CB-CE2 4.42Å; Q191-F285 HydrophobicContact CB-CZ 4.21Å; Q191-F285 HydrophobicContact CG-CE2 3.82Å; Q191-F285 HydrophobicContact CG-CZ 4.08Å |
| 192 | I | 89.4 | Confident | 86.5 | Confident | 66 Ų | 66 | 75.4 Ų | 75.4 | 34% | 0.338 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 131.9 | 178.1 | -62.1 | 173.9 | 0 | 0 | 0 | 109.5 | N194 T219 D220 Y248 H284 | I192-N194 VanDerWaalsContact C-N 3.3Å; I192-N194 HydrophobicContact CG2-CB 4.17Å; I192-N194 PolarHBondContact O-N 3.14Å; I192-T219 HydrophobicContact CD1-CG2 4.04Å; I192-T219 HydrophobicContact CG1-CG2 4.11Å; I192-T219 PolarHBondContact N-O 2.96Å; I192-D220 HydrophobicContact CD1-CB 4.34Å; I192-Y248 HydrophobicContact CD1-CE1 4.25Å; I192-Y248 HydrophobicContact CD1-CE2 4.16Å; I192-Y248 WeakPolarHBondContact CD1-OH 3.47Å; I192-H284 PolarHBondContact O-NE2 2.94Å; I192-H284 VanDerWaalsContact O-NE2 3.08Å |
| 193 | N | 84.8 | Confident | 86.8 | Confident | 145 Ų | 145 | 71.9 Ų | 71.9 | 78% | 0.775 | 42% | 0.417 | S | S | * | . | trans | -79.8 | 73.6 | 173.5 | -82.3 | -50.5 | 0 | 0 | 0 | 111.1 | H284 | N193-H284 PolarHBondContact OD1-CE1 2.78Š| ||
| 194 | N | 86.7 | Confident | 87.1 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 34% | 0.342 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -102.4 | 12.2 | 178.7 | 62.9 | 2.2 | 0 | 0 | 0 | 113.8 | I192 V196 D220 | I192-N194 VanDerWaalsContact C-N 3.3Å; I192-N194 HydrophobicContact CG2-CB 4.17Å; I192-N194 PolarHBondContact O-N 3.14Å; N194-V196 HydrophobicContact CB-CG2 4.41Å; N194-V196 VanDerWaalsContact CG-CG2 3.42Å; N194-V196 WeakPolarHBondContact ND2-CG2 3.31Å; N194-V196 PolarHBondContact O-N 2.91Å; N194-V196 VanDerWaalsContact O-N 3.16Å; N194-V196 VanDerWaalsContact OD1-CB 3.28Å; N194-V196 WeakPolarHBondContact OD1-CB 3.33Å; N194-V196 VanDerWaalsContact OD1-CG2 3.24Å; N194-V196 WeakPolarHBondContact OD1-CG2 3.26Å; N194-V196 PolarHBondContact OD1-N 2.86Å; N194-D220 PolarHBondContact ND2-O 2.73Å |
| 195 | S | 84.4 | Confident | 87.4 | Confident | 113 Ų | 113 | 72.6 Ų | 72.6 | 79% | 0.79 | 41% | 0.41 | S | S | * | . | trans | 60.2 | 17.2 | -177.7 | -54.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 196 | V | 88.1 | Confident | 87.6 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 29% | 0.291 | 42% | 0.423 | S | S | . | . | trans | -70.4 | 135.5 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 110 | N194 I198 F285 | N194-V196 HydrophobicContact CB-CG2 4.41Å; N194-V196 VanDerWaalsContact CG-CG2 3.42Å; N194-V196 WeakPolarHBondContact ND2-CG2 3.31Å; N194-V196 PolarHBondContact O-N 2.91Å; N194-V196 VanDerWaalsContact O-N 3.16Å; N194-V196 VanDerWaalsContact OD1-CB 3.28Å; N194-V196 WeakPolarHBondContact OD1-CB 3.33Å; N194-V196 VanDerWaalsContact OD1-CG2 3.24Å; N194-V196 WeakPolarHBondContact OD1-CG2 3.26Å; N194-V196 PolarHBondContact OD1-N 2.86Å; V196-I198 HydrophobicContact CG1-CD1 3.79Å; V196-I198 HydrophobicContact CG1-CG1 4.28Å; V196-F285 HydrophobicContact CB-CD1 4.48Å; V196-F285 HydrophobicContact CG1-CD1 4.43Å | ||
| 197 | R | 88.4 | Confident | 87.7 | Confident | 170 Ų | 170 | 76.7 Ų | 76.7 | 64% | 0.642 | 45% | 0.445 | S | S | * | . | trans | -130.9 | 128.8 | 173.2 | -72 | -68.3 | -176.4 | -90.2 | 6.4 | 109.2 | H284 F285 | R197-H284 PolarHBondContact NH1-O 3.17Å; R197-H284 VanDerWaalsContact NH1-O 3.15Å; R197-F285 WeakPolarHBondContact CA-O 3.5Å | ||
| 198 | I | 87.9 | Confident | 87.9 | Confident | 16 Ų | 16 | 73.8 Ų | 73.8 | 8% | 0.082 | 43% | 0.433 | C | S | . | . | trans | -102.4 | 122.6 | -173.5 | -55.6 | -71.3 | 0 | 0 | 0 | 108.5 | V196 M216 G221 I223 F285 I287 | V196-I198 HydrophobicContact CG1-CD1 3.79Å; V196-I198 HydrophobicContact CG1-CG1 4.28Å; I198-M216 HydrophobicContact CD1-SD 4.14Å; I198-M216 HydrophobicContact CG1-SD 3.73Å; I198-M216 HydrophobicContact CG2-SD 4.44Å; I198-G221 WeakPolarHBondContact CD1-O 3.42Å; I198-I223 HydrophobicContact CD1-CD1 3.79Å; I198-I223 HydrophobicContact CD1-CG1 4Å; I198-I223 HydrophobicContact CG2-CD1 3.98Å; I198-F285 HydrophobicContact CG1-CB 3.98Å; I198-F285 PolarHBondContact N-O 2.85Å; I198-I287 HydrophobicContact CB-CD1 3.93Å; I198-I287 HydrophobicContact CB-CG1 3.93Å; I198-I287 HydrophobicContact CG1-CD1 4.47Å; I198-I287 HydrophobicContact CG2-CD1 3.84Å; I198-I287 HydrophobicContact CG2-CG1 4.14Å | ||
| 199 | P | 84.8 | Confident | 88 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 46% | 0.461 | 43% | 0.428 | S | S | . | . | trans | -67 | 159.6 | 178.2 | 28.8 | -34.8 | 0 | 0 | 0 | 111 | S201 W203 | P199-S201 VanDerWaalsContact C-N 3.25Å; P199-S201 PolarHBondContact O-N 3.33Å; P199-W203 PolarHBondContact O-NE1 3.39Å | ||
| 200 | P | 80.9 | Confident | 87.9 | Confident | 101 Ų | 101 | 74.9 Ų | 74.9 | 66% | 0.656 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -70.4 | -16.7 | -178.8 | 27.7 | -35.4 | 0 | 0 | 0 | 114.2 | W203 | P200-W203 WeakPolarHBondContact O-CZ2 3.39Š|
| 201 | S | 84.1 | Confident | 88 | Confident | 87 Ų | 87 | 78.2 Ų | 78.2 | 61% | 0.608 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -158.3 | 172.8 | 178.5 | 65.1 | 0 | 0 | 0 | 0 | 111.6 | P199 | P199-S201 VanDerWaalsContact C-N 3.25Å; P199-S201 PolarHBondContact O-N 3.33Å |
| 202 | G | 83.6 | Confident | 87.6 | Confident | 60 Ų | 60 | 81.6 Ų | 81.6 | 62% | 0.619 | 45% | 0.454 | S | S | * | . | trans | 82.8 | 21.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R211 | G202-R211 PolarHBondContact O-NH1 2.84Š| ||
| 203 | W | 89.4 | Confident | 87.5 | Confident | 25 Ų | 25 | 79.2 Ų | 79.2 | 10% | 0.095 | 44% | 0.442 | C | S | . | . | trans | -60.8 | 155.9 | 179.5 | -48.2 | -53 | 0 | 0 | 0 | 112.6 | P199 P200 R211 L214 I223 L254 M292 | P199-W203 PolarHBondContact O-NE1 3.39Å; P200-W203 WeakPolarHBondContact O-CZ2 3.39Å; W203-R211 PolarHBondContact O-NH1 2.94Å; W203-L214 HydrophobicContact CB-CD1 3.55Å; W203-I223 HydrophobicContact CB-CD1 4.24Å; W203-I223 HydrophobicContact CG-CD1 4.16Å; W203-L254 HydrophobicContact CB-CD1 4.21Å; W203-L254 HydrophobicContact CD2-CB 4.03Å; W203-L254 HydrophobicContact CD2-CD1 3.73Å; W203-L254 HydrophobicContact CD2-CG 4.4Å; W203-L254 HydrophobicContact CE3-CB 3.58Å; W203-L254 HydrophobicContact CE3-CD1 4.05Å; W203-L254 HydrophobicContact CE3-CG 4.41Å; W203-L254 HydrophobicContact CG-CD1 3.8Å; W203-L254 HydrophobicContact CH2-CB 4.04Å; W203-L254 HydrophobicContact CZ2-CB 4.42Å; W203-L254 HydrophobicContact CZ3-CB 3.59Å; W203-M292 HydrophobicContact CH2-CE 3.49Å; W203-M292 VanDerWaalsContact CH2-CE 3.49Å; W203-M292 HydrophobicContact CZ2-CE 3.66Å; W203-M292 HydrophobicContact CZ2-SD 4.44Å | ||
| 204 | K | 92.1 | Very high | 87.9 | Confident | 90 Ų | 90 | 72.4 Ų | 72.4 | 39% | 0.391 | 41% | 0.405 | S | S | . | . | trans | -148.9 | 144.7 | 177 | -172.7 | -170.6 | 177.5 | -172.3 | 0 | 107.8 | A206 C208 D209 R211 | K204-A206 PolarHBondContact O-N 2.9Å; K204-C208 WeakPolarHBondContact CE-O 3.4Å; K204-D209 VanDerWaalsContact CE-CA 3.49Å; K204-D209 WeakPolarHBondContact CE-OD1 3.44Å; K204-D209 IonicContact NZ-OD1 3.11Å; K204-D209 PolarHBondContact NZ-OD1 3.44Å; K204-R211 HydrophobicContact CG-CG 4.46Å | ||
| 205 | C | 93.3 | Very high | 88.2 | Confident | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.034 | 39% | 0.392 | C | S | . | . | trans | -57 | 135.7 | 170.9 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | K207 L210 L214 C225 H238 | C205-K207 PolarHBondContact O-N 3.47Å; C205-K207 PolarHBondContact SG-N 2.95Å; C205-K207 VanDerWaalsContact SG-N 3.39Å; C205-L210 HydrophobicContact CB-CB 4.42Å; C205-L210 PolarHBondContact N-O 3.38Å; C205-L214 HydrophobicContact CB-CD2 3.87Å; C205-C225 HydrophobicContact CB-CB 4.18Å; C205-C225 PolarHBondContact SG-N 3.19Å; C205-H238 PolarHBondContact SG-ND1 3.01Å | ||
| 206 | A | 91.7 | Very high | 88.7 | Confident | 78 Ų | 78 | 64.7 Ų | 64.7 | 65% | 0.645 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -67.4 | -18.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | K204 I223 L224 | K204-A206 PolarHBondContact O-N 2.9Å; A206-I223 WeakPolarHBondContact CB-O 3.05Å; A206-I223 PolarHBondContact N-O 2.63Å; A206-L224 HydrophobicContact CB-CD2 4.07Å |
| 207 | K | 90.2 | Very high | 89.1 | Confident | 106 Ų | 106 | 62.7 Ų | 62.7 | 46% | 0.461 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -112.7 | -14.8 | -175.3 | -75 | -177.3 | 175.2 | 176.8 | 0 | 114.6 | C205 L224 H238 E241 | C205-K207 PolarHBondContact O-N 3.47Å; C205-K207 PolarHBondContact SG-N 2.95Å; C205-K207 VanDerWaalsContact SG-N 3.39Å; K207-L224 HydrophobicContact CD-CD2 4.28Å; K207-L224 HydrophobicContact CG-CD2 4.17Å; K207-H238 HydrophobicContact CB-CB 4.44Å; K207-H238 WeakPolarHBondContact CB-CE1 3.34Å; K207-H238 VanDerWaalsContact CB-ND1 3.33Å; K207-H238 WeakPolarHBondContact CB-ND1 3.37Å; K207-H238 HydrophobicContact CD-CB 3.96Å; K207-E241 IonicContact NZ-OE2 2.82Å; K207-E241 PolarHBondContact NZ-OE2 2.9Å |
| 208 | C | 91.2 | Very high | 89.4 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -148.4 | -177 | 176 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | K204 L210 C225 H238 | K204-C208 WeakPolarHBondContact CE-O 3.4Å; C208-L210 VanDerWaalsContact C-N 3.32Å; C208-L210 PolarHBondContact O-N 3.02Å; C208-C225 VanDerWaalsContact SG-SG 3.66Å; C208-H238 VanDerWaalsContact SG-CE1 3.6Å |
| 209 | D | 88.6 | Confident | 89.6 | Confident | 128 Ų | 128 | 54.4 Ų | 54.4 | 68% | 0.684 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -84.6 | 2.4 | -175.6 | -63.8 | -44.4 | 0 | 0 | 0 | 115.7 | K204 | K204-D209 VanDerWaalsContact CE-CA 3.49Å; K204-D209 WeakPolarHBondContact CE-OD1 3.44Å; K204-D209 IonicContact NZ-OD1 3.11Å; K204-D209 PolarHBondContact NZ-OD1 3.44Å |
| 210 | L | 87.5 | Confident | 90 | Very high | 58 Ų | 58 | 51.8 Ų | 51.8 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | trans | -64 | 135.7 | 178.8 | -69.4 | 173.4 | 0 | 0 | 0 | 111.8 | C205 C208 C225 | C205-L210 HydrophobicContact CB-CB 4.42Å; C205-L210 PolarHBondContact N-O 3.38Å; C208-L210 VanDerWaalsContact C-N 3.32Å; C208-L210 PolarHBondContact O-N 3.02Å; L210-C225 HydrophobicContact CB-CB 4.18Å; L210-C225 HydrophobicContact CD1-CB 3.57Å | ||
| 211 | R | 88.8 | Confident | 90.6 | Very high | 145 Ų | 145 | 47.1 Ų | 47.1 | 55% | 0.547 | 26% | 0.264 | S | S | . | . | trans | -113.8 | -12.2 | 177.7 | -67.6 | -175.5 | 172.4 | -82.1 | 5.2 | 113.8 | G202 W203 K204 L214 | G202-R211 PolarHBondContact O-NH1 2.84Å; W203-R211 PolarHBondContact O-NH1 2.94Å; K204-R211 HydrophobicContact CG-CG 4.46Å; R211-L214 VanDerWaalsContact O-CD1 3.28Å; R211-L214 WeakPolarHBondContact O-CD1 3.39Å | ||
| 212 | D | 84.5 | Confident | 91 | Very high | 114 Ų | 114 | 44.9 Ų | 44.9 | 61% | 0.61 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -116.4 | 159.6 | -177.3 | -49.4 | -33.4 | 0 | 0 | 0 | 110.1 | L214 | D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 3.27Å |
| 213 | N | 86.1 | Confident | 91.6 | Very high | 16 Ų | 16 | 43 Ų | 43 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 54.7 | 48 | -176.4 | -168.8 | 26.5 | 0 | 0 | 0 | 112.6 | W215 G226 D296 | N213-W215 PolarHBondContact OD1-NE1 2.98Å; N213-W215 VanDerWaalsContact OD1-NE1 3.09Å; N213-G226 PolarHBondContact O-N 2.86Å; N213-G226 VanDerWaalsContact O-N 3.08Å; N213-D296 PolarHBondContact N-OD2 3.27Å |
| 214 | L | 92.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.4 | -177.9 | -62.6 | -179.6 | 0 | 0 | 0 | 111.7 | W203 C205 R211 D212 I223 C225 K253 L254 | W203-L214 HydrophobicContact CB-CD1 3.55Å; C205-L214 HydrophobicContact CB-CD2 3.87Å; R211-L214 VanDerWaalsContact O-CD1 3.28Å; R211-L214 WeakPolarHBondContact O-CD1 3.39Å; D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 3.27Å; L214-I223 HydrophobicContact CB-CG2 3.96Å; L214-I223 HydrophobicContact CD1-CG2 4.06Å; L214-I223 HydrophobicContact CD2-CG2 4.49Å; L214-I223 HydrophobicContact CG-CG2 4.41Å; L214-C225 HydrophobicContact CD2-CB 4.22Å; L214-K253 WeakPolarHBondContact O-CA 3.34Å; L214-L254 HydrophobicContact CB-CD1 4.29Å; L214-L254 PolarHBondContact O-N 3.25Å |
| 215 | W | 94.4 | Very high | 91.9 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 6% | 0.057 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.5 | 180 | -65.4 | 77.8 | 0 | 0 | 0 | 109.2 | N213 L224 G226 A239 A251 V252 K253 F265 M272 M299 | N213-W215 PolarHBondContact OD1-NE1 2.98Å; N213-W215 VanDerWaalsContact OD1-NE1 3.09Å; W215-L224 PolarHBondContact N-O 3.4Å; W215-L224 PolarHBondContact O-N 2.82Å; W215-L224 VanDerWaalsContact O-O 3.13Å; W215-G226 VanDerWaalsContact CD1-CA 3.44Å; W215-A239 HydrophobicContact CB-CB 4.23Å; W215-A251 HydrophobicContact CB-CB 4.4Å; W215-A251 HydrophobicContact CE3-CB 4.29Å; W215-V252 CarbonylContact C-O 3.44Å; W215-V252 WeakPolarHBondContact CA-O 3.48Å; W215-K253 HydrophobicContact CD2-CB 3.93Å; W215-K253 HydrophobicContact CD2-CG 4.36Å; W215-K253 HydrophobicContact CE3-CB 3.85Å; W215-K253 HydrophobicContact CH2-CB 3.91Å; W215-K253 HydrophobicContact CH2-CD 4.39Å; W215-K253 HydrophobicContact CZ2-CB 3.98Å; W215-K253 HydrophobicContact CZ2-CD 3.85Å; W215-K253 HydrophobicContact CZ2-CG 4.25Å; W215-K253 HydrophobicContact CZ3-CB 3.83Å; W215-F265 HydrophobicContact CE3-CB 4.22Å; W215-F265 HydrophobicContact CH2-CB 3.97Å; W215-F265 HydrophobicContact CZ3-CB 3.51Å; W215-M272 HydrophobicContact CH2-SD 4.17Å; W215-M299 HydrophobicContact CH2-CG 4.42Å; W215-M299 HydrophobicContact CZ2-CE 4.01Å; W215-M299 HydrophobicContact CZ2-CG 4.19Å; W215-M299 HydrophobicContact CZ2-SD 4.04Å |
| 216 | M | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.7 | 174.9 | -175.6 | -175.3 | 74 | 0 | 0 | 109.3 | I198 L218 T222 I223 A251 V252 L254 L282 F285 I287 | I198-M216 HydrophobicContact CD1-SD 4.14Å; I198-M216 HydrophobicContact CG1-SD 3.73Å; I198-M216 HydrophobicContact CG2-SD 4.44Å; M216-L218 HydrophobicContact CE-CD2 4.21Å; M216-L218 PolarHBondContact O-N 3.35Å; M216-T222 WeakPolarHBondContact CA-O 3.49Å; M216-I223 HydrophobicContact CB-CG1 4.43Å; M216-I223 HydrophobicContact CG-CG1 4.29Å; M216-A251 CarbonylContact O-C 3.58Å; M216-A251 VanDerWaalsContact O-CA 3.23Å; M216-A251 WeakPolarHBondContact O-CA 3.49Å; M216-V252 HydrophobicContact CB-CG1 4.08Å; M216-V252 HydrophobicContact CE-CG1 3.82Å; M216-V252 PolarHBondContact N-O 2.65Å; M216-V252 PolarHBondContact O-N 3.23Å; M216-L254 HydrophobicContact CB-CD1 4.17Å; M216-L254 HydrophobicContact CB-CD2 3.72Å; M216-L254 HydrophobicContact CB-CG 3.86Å; M216-L254 HydrophobicContact CE-CD2 4.45Å; M216-L254 HydrophobicContact CG-CD2 4.46Å; M216-L254 HydrophobicContact SD-CD2 4.03Å; M216-L282 HydrophobicContact CE-CD2 3.61Å; M216-F285 HydrophobicContact CE-CD2 4.09Å; M216-I287 HydrophobicContact CE-CD1 3.79Å; M216-I287 HydrophobicContact SD-CD1 3.88Å |
| 217 | N | 95.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 130.3 | 173.3 | -169.7 | -72.2 | 0 | 0 | 0 | 110.3 | T219 D220 G221 T222 Y248 | N217-T219 PolarHBondContact O-N 2.91Å; N217-T219 WeakPolarHBondContact OD1-CA 3.36Å; N217-T219 WeakPolarHBondContact OD1-CB 3.49Å; N217-T219 PolarHBondContact OD1-N 3.28Å; N217-T219 PolarHBondContact OD1-OG1 3.47Å; N217-D220 WeakPolarHBondContact CB-OD1 3.22Å; N217-G221 WeakPolarHBondContact O-CA 3.11Å; N217-G221 PolarHBondContact O-N 2.85Å; N217-T222 PolarHBondContact N-O 2.89Å; N217-Y248 VanDerWaalsContact ND2-CB 3.28Å; N217-Y248 WeakPolarHBondContact ND2-CB 3.22Å; N217-Y248 PolarHBondContact ND2-O 2.81Å; N217-Y248 WeakPolarHBondContact OD1-CB 3.47Å |
| 218 | L | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -3.2 | -176.2 | -70.2 | 176.9 | 0 | 0 | 0 | 113.6 | L189 Q191 M216 L250 V252 V264 L278 H281 L282 | L189-L218 HydrophobicContact CD2-CB 3.4Å; L189-L218 VanDerWaalsContact CD2-CB 3.4Å; L189-L218 HydrophobicContact CD2-CD1 4.44Å; Q191-L218 WeakPolarHBondContact CG-O 3.42Å; Q191-L218 PolarHBondContact NE2-O 3.07Å; M216-L218 HydrophobicContact CE-CD2 4.21Å; M216-L218 PolarHBondContact O-N 3.35Å; L218-L250 HydrophobicContact CB-CB 4.29Å; L218-L250 HydrophobicContact CD1-CB 3.98Å; L218-L250 PolarHBondContact N-O 2.96Å; L218-V252 HydrophobicContact CD1-CB 4.42Å; L218-V252 HydrophobicContact CD2-CB 4Å; L218-V252 HydrophobicContact CD2-CG1 3.56Å; L218-V252 HydrophobicContact CG-CB 4.25Å; L218-V252 HydrophobicContact CG-CG1 4.15Å; L218-V264 HydrophobicContact CD1-CG1 3.97Å; L218-V264 HydrophobicContact CD1-CG2 4.44Å; L218-L278 HydrophobicContact CD1-CD1 3.92Å; L218-L278 HydrophobicContact CD2-CD1 3.93Å; L218-H281 HydrophobicContact CD2-CB 4.23Å; L218-L282 HydrophobicContact CD2-CD2 4.32Å |
| 219 | T | 93.7 | Very high | 89.6 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -44.8 | 177.8 | -51.5 | 0 | 0 | 0 | 0 | 112 | Q191 I192 N217 Y248 | Q191-T219 WeakPolarHBondContact CA-O 3.31Å; I192-T219 HydrophobicContact CD1-CG2 4.04Å; I192-T219 HydrophobicContact CG1-CG2 4.11Å; I192-T219 PolarHBondContact N-O 2.96Å; N217-T219 PolarHBondContact O-N 2.91Å; N217-T219 WeakPolarHBondContact OD1-CA 3.36Å; N217-T219 WeakPolarHBondContact OD1-CB 3.49Å; N217-T219 PolarHBondContact OD1-N 3.28Å; N217-T219 PolarHBondContact OD1-OG1 3.47Å; T219-Y248 HydrophobicContact CG2-CD1 3.65Å; T219-Y248 HydrophobicContact CG2-CD2 4.07Å; T219-Y248 HydrophobicContact CG2-CE1 3.9Å; T219-Y248 HydrophobicContact CG2-CE2 4.31Å; T219-Y248 HydrophobicContact CG2-CG 3.76Å |
| 220 | D | 93.2 | Very high | 87.9 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -6.7 | -173.1 | 73.7 | -10 | 0 | 0 | 0 | 114.9 | I192 N194 N217 T222 H242 Y248 F285 | I192-D220 HydrophobicContact CD1-CB 4.34Å; N194-D220 PolarHBondContact ND2-O 2.73Å; N217-D220 WeakPolarHBondContact CB-OD1 3.22Å; D220-T222 VanDerWaalsContact C-N 3.32Å; D220-T222 WeakPolarHBondContact OD1-CB 3.43Å; D220-T222 PolarHBondContact OD1-N 2.88Å; D220-T222 PolarHBondContact OD1-OG1 3.38Å; D220-T222 VanDerWaalsContact OD1-OG1 3.1Å; D220-T222 PolarHBondContact OD2-OG1 2.71Å; D220-H242 IonicContact OD1-NE2 3.99Å; D220-H242 IonicContact OD2-CE1 3.49Å; D220-H242 PolarHBondContact OD2-CE1 3.03Å; D220-H242 IonicContact OD2-NE2 3.53Å; D220-H242 PolarHBondContact OD2-NE2 3.32Å; D220-Y248 HydrophobicContact CB-CD2 4.11Å; D220-Y248 HydrophobicContact CB-CE2 3.72Å; D220-F285 VanDerWaalsContact C-CE1 3.46Å |
| 221 | G | 92.2 | Very high | 86.1 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | trans | 77.2 | 12.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I198 N217 I223 F285 | I198-G221 WeakPolarHBondContact CD1-O 3.42Å; N217-G221 WeakPolarHBondContact O-CA 3.11Å; N217-G221 PolarHBondContact O-N 2.85Å; G221-I223 PolarHBondContact O-N 3.07Å; G221-F285 VanDerWaalsContact CA-CE1 3.44Å; G221-F285 VanDerWaalsContact N-CE1 3.34Å; G221-F285 VanDerWaalsContact N-CZ 3.29Å | ||
| 222 | T | 94 | Very high | 84.5 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 24% | 0.239 | 18% | 0.182 | C | C | . | . | trans | -71.6 | 128.1 | 179.3 | -56.6 | 0 | 0 | 0 | 0 | 111 | M216 N217 D220 L224 | M216-T222 WeakPolarHBondContact CA-O 3.49Å; N217-T222 PolarHBondContact N-O 2.89Å; D220-T222 VanDerWaalsContact C-N 3.32Å; D220-T222 WeakPolarHBondContact OD1-CB 3.43Å; D220-T222 PolarHBondContact OD1-N 2.88Å; D220-T222 PolarHBondContact OD1-OG1 3.38Å; D220-T222 VanDerWaalsContact OD1-OG1 3.1Å; D220-T222 PolarHBondContact OD2-OG1 2.71Å; T222-L224 HydrophobicContact CG2-CD1 3.92Å; T222-L224 HydrophobicContact CG2-CD2 4.06Å; T222-L224 HydrophobicContact CG2-CG 3.86Å | ||
| 223 | I | 95.5 | Very high | 83.8 | Confident | 21 Ų | 21 | 34 Ų | 34 | 11% | 0.108 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.4 | 178.5 | -54.3 | 179.4 | 0 | 0 | 0 | 111.1 | I198 W203 A206 L214 M216 G221 L254 | I198-I223 HydrophobicContact CD1-CD1 3.79Å; I198-I223 HydrophobicContact CD1-CG1 4Å; I198-I223 HydrophobicContact CG2-CD1 3.98Å; W203-I223 HydrophobicContact CB-CD1 4.24Å; W203-I223 HydrophobicContact CG-CD1 4.16Å; A206-I223 WeakPolarHBondContact CB-O 3.05Å; A206-I223 PolarHBondContact N-O 2.63Å; L214-I223 HydrophobicContact CB-CG2 3.96Å; L214-I223 HydrophobicContact CD1-CG2 4.06Å; L214-I223 HydrophobicContact CD2-CG2 4.49Å; L214-I223 HydrophobicContact CG-CG2 4.41Å; M216-I223 HydrophobicContact CB-CG1 4.43Å; M216-I223 HydrophobicContact CG-CG1 4.29Å; G221-I223 PolarHBondContact O-N 3.07Å; I223-L254 HydrophobicContact CB-CD1 4.36Å; I223-L254 HydrophobicContact CD1-CD1 3.7Å; I223-L254 HydrophobicContact CG1-CD1 3.86Å; I223-L254 HydrophobicContact CG2-CD1 3.63Å |
| 224 | L | 95.9 | Very high | 83.2 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152.4 | -174 | -61.3 | 164.3 | 0 | 0 | 0 | 110.8 | A206 K207 W215 T222 H238 A239 H242 | A206-L224 HydrophobicContact CB-CD2 4.07Å; K207-L224 HydrophobicContact CD-CD2 4.28Å; K207-L224 HydrophobicContact CG-CD2 4.17Å; W215-L224 PolarHBondContact N-O 3.4Å; W215-L224 PolarHBondContact O-N 2.82Å; W215-L224 VanDerWaalsContact O-O 3.13Å; T222-L224 HydrophobicContact CG2-CD1 3.92Å; T222-L224 HydrophobicContact CG2-CD2 4.06Å; T222-L224 HydrophobicContact CG2-CG 3.86Å; L224-H238 HydrophobicContact CB-CB 4.1Å; L224-H238 HydrophobicContact CD2-CB 4.13Å; L224-A239 HydrophobicContact CB-CB 3.82Å; L224-H242 HydrophobicContact CD1-CB 3.2Å; L224-H242 VanDerWaalsContact CD1-CG 3.48Å |
| 225 | C | 92.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 152 | 174.6 | 60.8 | 0 | 0 | 0 | 0 | 110.9 | C205 C208 L210 L214 N236 H238 A239 | C205-C225 HydrophobicContact CB-CB 4.18Å; C205-C225 PolarHBondContact SG-N 3.19Å; C208-C225 VanDerWaalsContact SG-SG 3.66Å; L210-C225 HydrophobicContact CB-CB 4.18Å; L210-C225 HydrophobicContact CD1-CB 3.57Å; L214-C225 HydrophobicContact CD2-CB 4.22Å; C225-N236 PolarHBondContact SG-N 3.21Å; C225-H238 PolarHBondContact SG-ND1 3.3Å; C225-A239 WeakPolarHBondContact O-CB 3.42Å; C225-A239 PolarHBondContact O-N 3.3Å; C225-A239 VanDerWaalsContact O-N 3.14Å |
| 226 | G | 87.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | trans | -68.2 | -167.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N213 W215 G235 N236 N237 | N213-G226 PolarHBondContact O-N 2.86Å; N213-G226 VanDerWaalsContact O-N 3.08Å; W215-G226 VanDerWaalsContact CD1-CA 3.44Å; G226-G235 CarbonylContact O-C 3.48Å; G226-G235 VanDerWaalsContact O-CA 3.26Å; G226-G235 WeakPolarHBondContact O-CA 3.28Å; G226-N236 PolarHBondContact O-N 3Å; G226-N237 PolarHBondContact O-N 2.79Å | ||
| 227 | R | 83.6 | Confident | 82.1 | Confident | 81 Ų | 81 | 40.1 Ų | 40.1 | 31% | 0.306 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -64.4 | 147.4 | 178.5 | -64.7 | -175.5 | -174.9 | -151.4 | -2.8 | 111.5 | G235 N237 D270 | R227-G235 PolarHBondContact O-N 2.97Å; R227-N237 WeakPolarHBondContact CA-OD1 3.45Å; R227-D270 IonicContact CZ-OD1 3.87Å; R227-D270 VanDerWaalsContact CZ-OD1 3.23Å; R227-D270 IonicContact NH1-OD1 2.97Å; R227-D270 PolarHBondContact NH1-OD1 2.98Å; R227-D270 IonicContact NH2-OD1 3.44Å; R227-D270 PolarHBondContact NH2-OD1 3.25Å |
| 228 | K | 78.8 | Confident | 82 | Confident | 108 Ų | 108 | 41 Ų | 41 | 47% | 0.47 | 22% | 0.216 | S | C | . | . | B | Isolated β-bridge | trans | -75.5 | 121.4 | 168 | -168.6 | -178.9 | 177 | -173.1 | 0 | 107.9 | G235 N237 | K228-G235 WeakPolarHBondContact CA-O 3.22Å; K228-G235 WeakPolarHBondContact CB-O 3.49Å; K228-G235 PolarHBondContact N-O 3.07Å; K228-N237 PolarHBondContact N-OD1 2.98Å |
| 229 | F | 67.3 | Low | 81.9 | Confident | 72 Ų | 72 | 41.2 Ų | 41.2 | 32% | 0.316 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -76.5 | 158.6 | 173.7 | -61.5 | -37.3 | 0 | 0 | 0 | 110.1 | D231 G232 S233 G234 | F229-D231 WeakPolarHBondContact CB-OD1 3.23Å; F229-D231 PolarHBondContact O-N 2.67Å; F229-D231 VanDerWaalsContact O-N 3.15Å; F229-G232 PolarHBondContact O-N 2.62Å; F229-S233 PolarHBondContact N-O 3.41Å; F229-G234 VanDerWaalsContact CD2-CA 3.48Å |
| 230 | W | 52.4 | Low | 81.7 | Confident | 155 Ų | 155 | 42.5 Ų | 42.5 | 59% | 0.587 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.9 | -176.7 | 70.5 | -86.5 | 0 | 0 | 0 | 113.2 | G232 | W230-G232 VanDerWaalsContact C-N 3.3Š|
| 231 | D | 51 | Low | 81.7 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 36% | 0.358 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 4.1 | 176.3 | 66.6 | -6.7 | 0 | 0 | 0 | 113.1 | F229 S233 | F229-D231 WeakPolarHBondContact CB-OD1 3.23Å; F229-D231 PolarHBondContact O-N 2.67Å; F229-D231 VanDerWaalsContact O-N 3.15Å; D231-S233 PolarHBondContact O-N 2.97Å; D231-S233 WeakPolarHBondContact OD1-CA 3.4Å; D231-S233 VanDerWaalsContact OD1-CB 3.26Å; D231-S233 WeakPolarHBondContact OD1-CB 3.33Å; D231-S233 PolarHBondContact OD1-N 3.02Å; D231-S233 PolarHBondContact OD1-OG 3.29Å; D231-S233 PolarHBondContact OD2-OG 2.65Å |
| 232 | G | 55.1 | Low | 81.9 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 80.7 | -4.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F229 W230 | F229-G232 PolarHBondContact O-N 2.62Å; W230-G232 VanDerWaalsContact C-N 3.3Å |
| 233 | S | 68.6 | Low | 81.9 | Confident | 55 Ų | 55 | 46.5 Ų | 46.5 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | trans | -85.7 | -172.7 | 174.8 | 83.4 | 0 | 0 | 0 | 0 | 111.9 | F229 D231 | F229-S233 PolarHBondContact N-O 3.41Å; D231-S233 PolarHBondContact O-N 2.97Å; D231-S233 WeakPolarHBondContact OD1-CA 3.4Å; D231-S233 VanDerWaalsContact OD1-CB 3.26Å; D231-S233 WeakPolarHBondContact OD1-CB 3.33Å; D231-S233 PolarHBondContact OD1-N 3.02Å; D231-S233 PolarHBondContact OD1-OG 3.29Å; D231-S233 PolarHBondContact OD2-OG 2.65Å | ||
| 234 | G | 74.6 | Confident | 81.7 | Confident | 28 Ų | 28 | 51 Ų | 51 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | 85.3 | -121 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F229 | F229-G234 VanDerWaalsContact CD2-CA 3.48Å |
| 235 | G | 82 | Confident | 81.6 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | trans | -122.4 | -167.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G226 R227 K228 | G226-G235 CarbonylContact O-C 3.48Å; G226-G235 VanDerWaalsContact O-CA 3.26Å; G226-G235 WeakPolarHBondContact O-CA 3.28Å; R227-G235 PolarHBondContact O-N 2.97Å; K228-G235 WeakPolarHBondContact CA-O 3.22Å; K228-G235 WeakPolarHBondContact CB-O 3.49Å; K228-G235 PolarHBondContact N-O 3.07Å | ||
| 236 | N | 86.6 | Confident | 81.6 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | trans | -109.6 | 27 | -178.1 | -65.7 | -21.7 | 0 | 0 | 0 | 112.5 | C225 G226 H238 | C225-N236 PolarHBondContact SG-N 3.21Å; G226-N236 PolarHBondContact O-N 3Å; N236-H238 PolarHBondContact O-N 3.02Å | ||
| 237 | N | 89.4 | Confident | 81.9 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 60.1 | 10.2 | -176.5 | -66.3 | -32.5 | 0 | 0 | 0 | 115.5 | G226 R227 K228 A239 L240 E241 | G226-N237 PolarHBondContact O-N 2.79Å; R227-N237 WeakPolarHBondContact CA-OD1 3.45Å; K228-N237 PolarHBondContact N-OD1 2.98Å; N237-A239 VanDerWaalsContact C-N 3.28Å; N237-A239 PolarHBondContact O-N 3.2Å; N237-L240 WeakPolarHBondContact O-CB 3.5Å; N237-L240 PolarHBondContact O-N 2.7Å; N237-E241 WeakPolarHBondContact O-CG 3.25Å; N237-E241 PolarHBondContact O-N 2.92Å |
| 238 | H | 93.4 | Very high | 82.4 | Confident | 24 Ų | 24 | 66.9 Ų | 66.9 | 11% | 0.111 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -35.4 | -174 | -72.3 | 159.3 | 0 | 0 | 0 | 113.9 | C205 K207 C208 L224 C225 N236 E241 H242 | C205-H238 PolarHBondContact SG-ND1 3.01Å; K207-H238 HydrophobicContact CB-CB 4.44Å; K207-H238 WeakPolarHBondContact CB-CE1 3.34Å; K207-H238 VanDerWaalsContact CB-ND1 3.33Å; K207-H238 WeakPolarHBondContact CB-ND1 3.37Å; K207-H238 HydrophobicContact CD-CB 3.96Å; C208-H238 VanDerWaalsContact SG-CE1 3.6Å; L224-H238 HydrophobicContact CB-CB 4.1Å; L224-H238 HydrophobicContact CD2-CB 4.13Å; C225-H238 PolarHBondContact SG-ND1 3.3Å; N236-H238 PolarHBondContact O-N 3.02Å; H238-E241 IonicContact CD2-OE2 3.21Å; H238-H242 WeakPolarHBondContact O-CB 3.41Å; H238-H242 PolarHBondContact O-N 3.14Å |
| 239 | A | 92.2 | Very high | 83.1 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.8 | -37.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W215 L224 C225 N237 H242 Y243 Y267 | W215-A239 HydrophobicContact CB-CB 4.23Å; L224-A239 HydrophobicContact CB-CB 3.82Å; C225-A239 WeakPolarHBondContact O-CB 3.42Å; C225-A239 PolarHBondContact O-N 3.3Å; C225-A239 VanDerWaalsContact O-N 3.14Å; N237-A239 VanDerWaalsContact C-N 3.28Å; N237-A239 PolarHBondContact O-N 3.2Å; A239-H242 PolarHBondContact O-N 3.2Å; A239-Y243 PolarHBondContact O-N 2.97Å; A239-Y267 WeakPolarHBondContact CB-OH 3.48Å |
| 240 | L | 90.8 | Very high | 84.5 | Confident | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.2 | -48.2 | 174.2 | -179.3 | 66.1 | 0 | 0 | 0 | 111.3 | N237 H242 Y243 E244 Y267 | N237-L240 WeakPolarHBondContact O-CB 3.5Å; N237-L240 PolarHBondContact O-N 2.7Å; L240-H242 PolarHBondContact O-N 3.31Å; L240-Y243 WeakPolarHBondContact O-CB 3.46Å; L240-Y243 PolarHBondContact O-N 3.48Å; L240-Y243 VanDerWaalsContact O-N 3.1Å; L240-E244 WeakPolarHBondContact O-CG 3.27Å; L240-E244 PolarHBondContact O-N 3Å; L240-Y267 HydrophobicContact CB-CE1 4.01Å; L240-Y267 HydrophobicContact CD1-CD1 3.59Å; L240-Y267 HydrophobicContact CD1-CE1 3.72Å |
| 241 | E | 92.9 | Very high | 86.5 | Confident | 79 Ų | 79 | 51.7 Ų | 51.7 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.8 | -35.2 | 175.5 | -68.9 | 174.2 | -179.3 | 0 | 0 | 112.4 | K207 N237 H238 E244 K245 | K207-E241 IonicContact NZ-OE2 2.82Å; K207-E241 PolarHBondContact NZ-OE2 2.9Å; N237-E241 WeakPolarHBondContact O-CG 3.25Å; N237-E241 PolarHBondContact O-N 2.92Å; H238-E241 IonicContact CD2-OE2 3.21Å; E241-E244 PolarHBondContact O-N 2.99Å; E241-K245 WeakPolarHBondContact O-CB 3.31Å; E241-K245 PolarHBondContact O-N 2.94Å; E241-K245 VanDerWaalsContact O-N 3.17Å |
| 242 | H | 94.8 | Very high | 88.6 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 11% | 0.111 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 175.9 | 177.5 | 90.3 | 0 | 0 | 0 | 110.7 | D220 L224 H238 A239 L240 E244 K245 T246 Y248 | D220-H242 IonicContact OD1-NE2 3.99Å; D220-H242 IonicContact OD2-CE1 3.49Å; D220-H242 PolarHBondContact OD2-CE1 3.03Å; D220-H242 IonicContact OD2-NE2 3.53Å; D220-H242 PolarHBondContact OD2-NE2 3.32Å; L224-H242 HydrophobicContact CD1-CB 3.2Å; L224-H242 VanDerWaalsContact CD1-CG 3.48Å; H238-H242 WeakPolarHBondContact O-CB 3.41Å; H238-H242 PolarHBondContact O-N 3.14Å; A239-H242 PolarHBondContact O-N 3.2Å; L240-H242 PolarHBondContact O-N 3.31Å; H242-E244 VanDerWaalsContact C-N 3.32Å; H242-E244 PolarHBondContact O-N 2.82Å; H242-K245 PolarHBondContact O-N 3.48Å; H242-K245 VanDerWaalsContact O-N 3.16Å; H242-T246 PolarHBondContact CD2-OG1 3.44Å; H242-T246 PolarHBondContact NE2-OG1 3.14Å; H242-T246 PolarHBondContact O-N 3.39Å; H242-T246 PolarHBondContact O-OG1 3.27Å; H242-Y248 AromaticContact NE2-CD2 3.59Å |
| 243 | Y | 94.3 | Very high | 90.4 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.2 | -44.3 | 172.1 | 165.7 | -107.5 | 0 | 0 | 0 | 112.2 | A239 L240 K245 T246 K247 Y248 Y267 P268 | A239-Y243 PolarHBondContact O-N 2.97Å; L240-Y243 WeakPolarHBondContact O-CB 3.46Å; L240-Y243 PolarHBondContact O-N 3.48Å; L240-Y243 VanDerWaalsContact O-N 3.1Å; Y243-K245 PolarHBondContact O-N 3.41Å; Y243-T246 PolarHBondContact O-N 3.45Å; Y243-K247 HydrophobicContact CE2-CD 4.49Å; Y243-K247 WeakPolarHBondContact O-CA 3.48Å; Y243-K247 PolarHBondContact O-N 3.32Å; Y243-Y248 WeakPolarHBondContact CD2-O 3.41Å; Y243-Y267 HydrophobicContact CD1-CD1 4.1Å; Y243-Y267 AromaticContact CD1-CG 3.85Å; Y243-Y267 HydrophobicContact CD1-CG 3.85Å; Y243-Y267 HydrophobicContact CD2-CD2 4.38Å; Y243-Y267 HydrophobicContact CD2-CG 4.16Å; Y243-Y267 HydrophobicContact CE1-CG 4.47Å; Y243-Y267 HydrophobicContact CG-CD1 4.21Å; Y243-Y267 HydrophobicContact CG-CD2 4.07Å; Y243-Y267 AromaticContact CG-CG 3.63Å; Y243-Y267 HydrophobicContact CG-CG 3.63Å; Y243-P268 HydrophobicContact CE2-CG 3.92Å; Y243-P268 WeakPolarHBondContact OH-CA 3.28Å; Y243-P268 WeakPolarHBondContact OH-CG 3.49Å |
| 244 | E | 92.4 | Very high | 91.4 | Very high | 114 Ų | 114 | 44.1 Ų | 44.1 | 53% | 0.533 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.9 | -36 | 178.3 | -74 | 177 | 171.9 | 0 | 0 | 112.4 | L240 E241 H242 K247 | L240-E244 WeakPolarHBondContact O-CG 3.27Å; L240-E244 PolarHBondContact O-N 3Å; E241-E244 PolarHBondContact O-N 2.99Å; H242-E244 VanDerWaalsContact C-N 3.32Å; H242-E244 PolarHBondContact O-N 2.82Å; E244-K247 VanDerWaalsContact O-CE 3.27Å; E244-K247 WeakPolarHBondContact O-CE 3.36Å; E244-K247 PolarHBondContact O-NZ 3.15Å |
| 245 | K | 93.8 | Very high | 92 | Very high | 186 Ų | 186 | 42.8 Ų | 42.8 | 81% | 0.809 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -83.2 | -43.2 | -179.7 | -172.8 | 177.8 | -179.7 | -179.7 | 0 | 114.2 | E241 H242 Y243 | E241-K245 WeakPolarHBondContact O-CB 3.31Å; E241-K245 PolarHBondContact O-N 2.94Å; E241-K245 VanDerWaalsContact O-N 3.17Å; H242-K245 PolarHBondContact O-N 3.48Å; H242-K245 VanDerWaalsContact O-N 3.16Å; Y243-K245 PolarHBondContact O-N 3.41Å |
| 246 | T | 92.3 | Very high | 92.1 | Very high | 41 Ų | 41 | 43 Ų | 43 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -98.7 | -21.4 | -172.3 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | H242 Y243 Y248 | H242-T246 PolarHBondContact CD2-OG1 3.44Å; H242-T246 PolarHBondContact NE2-OG1 3.14Å; H242-T246 PolarHBondContact O-N 3.39Å; H242-T246 PolarHBondContact O-OG1 3.27Å; Y243-T246 PolarHBondContact O-N 3.45Å; T246-Y248 VanDerWaalsContact CB-CD2 3.48Å; T246-Y248 HydrophobicContact CG2-CD2 4.06Å; T246-Y248 HydrophobicContact CG2-CE2 3.87Å; T246-Y248 WeakPolarHBondContact O-CD1 3.36Å; T246-Y248 PolarHBondContact O-N 2.7Å; T246-Y248 VanDerWaalsContact OG1-CD2 3.26Å; T246-Y248 WeakPolarHBondContact OG1-CD2 3.34Å; T246-Y248 VanDerWaalsContact OG1-CG 3.31Å; T246-Y248 PolarHBondContact OG1-N 3.15Å |
| 247 | K | 93.4 | Very high | 92.1 | Very high | 129 Ų | 129 | 39.4 Ų | 39.4 | 56% | 0.561 | 18% | 0.184 | S | C | * | . | trans | 58.3 | 23.6 | -170.9 | -55.8 | -62 | 179 | -172.6 | 0 | 113.8 | Y243 E244 | Y243-K247 HydrophobicContact CE2-CD 4.49Å; Y243-K247 WeakPolarHBondContact O-CA 3.48Å; Y243-K247 PolarHBondContact O-N 3.32Å; E244-K247 VanDerWaalsContact O-CE 3.27Å; E244-K247 WeakPolarHBondContact O-CE 3.36Å; E244-K247 PolarHBondContact O-NZ 3.15Å | ||
| 248 | Y | 95.4 | Very high | 91.7 | Very high | 65 Ų | 65 | 38.5 Ų | 38.5 | 26% | 0.255 | 18% | 0.18 | S | C | . | . | trans | -76 | 116 | 175.6 | -63.3 | -18.9 | 0 | 0 | 0 | 111 | I192 N217 T219 D220 H242 Y243 T246 | I192-Y248 HydrophobicContact CD1-CE1 4.25Å; I192-Y248 HydrophobicContact CD1-CE2 4.16Å; I192-Y248 WeakPolarHBondContact CD1-OH 3.47Å; N217-Y248 VanDerWaalsContact ND2-CB 3.28Å; N217-Y248 WeakPolarHBondContact ND2-CB 3.22Å; N217-Y248 PolarHBondContact ND2-O 2.81Å; N217-Y248 WeakPolarHBondContact OD1-CB 3.47Å; T219-Y248 HydrophobicContact CG2-CD1 3.65Å; T219-Y248 HydrophobicContact CG2-CD2 4.07Å; T219-Y248 HydrophobicContact CG2-CE1 3.9Å; T219-Y248 HydrophobicContact CG2-CE2 4.31Å; T219-Y248 HydrophobicContact CG2-CG 3.76Å; D220-Y248 HydrophobicContact CB-CD2 4.11Å; D220-Y248 HydrophobicContact CB-CE2 3.72Å; H242-Y248 AromaticContact NE2-CD2 3.59Å; Y243-Y248 WeakPolarHBondContact CD2-O 3.41Å; T246-Y248 VanDerWaalsContact CB-CD2 3.48Å; T246-Y248 HydrophobicContact CG2-CD2 4.06Å; T246-Y248 HydrophobicContact CG2-CE2 3.87Å; T246-Y248 WeakPolarHBondContact O-CD1 3.36Å; T246-Y248 PolarHBondContact O-N 2.7Å; T246-Y248 VanDerWaalsContact OG1-CD2 3.26Å; T246-Y248 WeakPolarHBondContact OG1-CD2 3.34Å; T246-Y248 VanDerWaalsContact OG1-CG 3.31Å; T246-Y248 PolarHBondContact OG1-N 3.15Å | ||
| 249 | P | 93.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 40.7 Ų | 40.7 | 10% | 0.097 | 20% | 0.197 | C | C | . | . | trans | -75.7 | -36.6 | -154.3 | 27.4 | -36.2 | 0 | 0 | 0 | 114.6 | Y185 L189 Y267 P268 | Y185-P249 HydrophobicContact CD1-CB 3.93Å; Y185-P249 HydrophobicContact CD1-CG 3.94Å; Y185-P249 HydrophobicContact CD2-CB 4.04Å; Y185-P249 HydrophobicContact CE1-CB 4.44Å; Y185-P249 HydrophobicContact CG-CB 3.71Å; Y185-P249 HydrophobicContact CG-CG 3.9Å; L189-P249 HydrophobicContact CD1-CG 3.62Å; P249-Y267 PolarHBondContact O-N 2.79Å; P249-P268 HydrophobicContact CB-CG 3.69Å; P249-P268 WeakPolarHBondContact O-CD 3.38Å | ||
| 250 | L | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137.1 | -166.5 | -61.6 | -179.7 | 0 | 0 | 0 | 112.1 | A186 L189 L218 V264 F265 V273 | A186-L250 HydrophobicContact CB-CD1 4.27Å; L189-L250 HydrophobicContact CD1-CD1 4.46Å; L189-L250 HydrophobicContact CD2-CB 4.28Å; L189-L250 HydrophobicContact CD2-CD1 4.12Å; L218-L250 HydrophobicContact CB-CB 4.29Å; L218-L250 HydrophobicContact CD1-CB 3.98Å; L218-L250 PolarHBondContact N-O 2.96Å; L250-V264 HydrophobicContact CB-CG1 4.29Å; L250-V264 HydrophobicContact CD2-CG1 4.33Å; L250-F265 WeakPolarHBondContact CA-O 3.45Å; L250-V273 HydrophobicContact CD2-CG2 3.96Å |
| 251 | A | 95.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 49 Ų | 49 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 139 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | W215 M216 V264 F265 Y267 | W215-A251 HydrophobicContact CB-CB 4.4Å; W215-A251 HydrophobicContact CE3-CB 4.29Å; M216-A251 CarbonylContact O-C 3.58Å; M216-A251 VanDerWaalsContact O-CA 3.23Å; M216-A251 WeakPolarHBondContact O-CA 3.49Å; A251-V264 CarbonylContact O-C 3.52Å; A251-V264 WeakPolarHBondContact O-CA 3.44Å; A251-F265 PolarHBondContact N-O 2.88Å; A251-F265 PolarHBondContact O-N 2.79Å; A251-Y267 HydrophobicContact CB-CE2 3.82Å |
| 252 | V | 94.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.5 | 176.8 | 63.1 | 0 | 0 | 0 | 0 | 110.4 | W215 M216 L218 L254 I257 E263 V264 L278 L282 | W215-V252 CarbonylContact C-O 3.44Å; W215-V252 WeakPolarHBondContact CA-O 3.48Å; M216-V252 HydrophobicContact CB-CG1 4.08Å; M216-V252 HydrophobicContact CE-CG1 3.82Å; M216-V252 PolarHBondContact N-O 2.65Å; M216-V252 PolarHBondContact O-N 3.23Å; L218-V252 HydrophobicContact CD1-CB 4.42Å; L218-V252 HydrophobicContact CD2-CB 4Å; L218-V252 HydrophobicContact CD2-CG1 3.56Å; L218-V252 HydrophobicContact CG-CB 4.25Å; L218-V252 HydrophobicContact CG-CG1 4.15Å; V252-L254 PolarHBondContact O-N 2.65Å; V252-I257 HydrophobicContact CG1-CD1 4.44Å; V252-I257 HydrophobicContact CG2-CD1 4.09Å; V252-I257 HydrophobicContact CG2-CG1 3.94Å; V252-E263 CarbonylContact C-O 3.44Å; V252-E263 VanDerWaalsContact CA-O 3.3Å; V252-E263 WeakPolarHBondContact CA-O 3.41Å; V252-E263 WeakPolarHBondContact CG2-O 3.1Å; V252-V264 HydrophobicContact CB-CG2 4.26Å; V252-V264 HydrophobicContact CG2-CG2 4.19Å; V252-L278 HydrophobicContact CB-CD1 4.28Å; V252-L278 HydrophobicContact CG2-CD1 4.11Å; V252-L278 HydrophobicContact CG2-CD2 4.48Å; V252-L282 HydrophobicContact CG1-CD2 4.04Å |
| 253 | K | 92.8 | Very high | 89 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 112.4 | 173.6 | -172.1 | 175.1 | 172.5 | -176.9 | 0 | 110.8 | L214 W215 G255 T256 E263 K297 M299 | L214-K253 WeakPolarHBondContact O-CA 3.34Å; W215-K253 HydrophobicContact CD2-CB 3.93Å; W215-K253 HydrophobicContact CD2-CG 4.36Å; W215-K253 HydrophobicContact CE3-CB 3.85Å; W215-K253 HydrophobicContact CH2-CB 3.91Å; W215-K253 HydrophobicContact CH2-CD 4.39Å; W215-K253 HydrophobicContact CZ2-CB 3.98Å; W215-K253 HydrophobicContact CZ2-CD 3.85Å; W215-K253 HydrophobicContact CZ2-CG 4.25Å; W215-K253 HydrophobicContact CZ3-CB 3.83Å; K253-G255 PolarHBondContact O-N 3.46Å; K253-T256 HydrophobicContact CB-CG2 4.3Å; K253-T256 HydrophobicContact CD-CG2 3.68Å; K253-T256 HydrophobicContact CG-CG2 3.99Å; K253-T256 PolarHBondContact O-N 3.43Å; K253-T256 VanDerWaalsContact O-N 3.11Å; K253-T256 PolarHBondContact O-OG1 3.16Å; K253-E263 HydrophobicContact CB-CB 4.14Å; K253-E263 PolarHBondContact N-O 3.46Å; K253-E263 IonicContact NZ-OE2 2.75Å; K253-K297 WeakPolarHBondContact CE-O 3.12Å; K253-K297 PolarHBondContact NZ-O 2.96Å; K253-M299 HydrophobicContact CD-CE 3.97Å |
| 254 | L | 89.7 | Confident | 88.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -58.8 | -44.6 | -169.3 | -73.3 | 172 | 0 | 0 | 0 | 113.6 | W203 L214 M216 I223 V252 T256 I257 I287 | W203-L254 HydrophobicContact CB-CD1 4.21Å; W203-L254 HydrophobicContact CD2-CB 4.03Å; W203-L254 HydrophobicContact CD2-CD1 3.73Å; W203-L254 HydrophobicContact CD2-CG 4.4Å; W203-L254 HydrophobicContact CE3-CB 3.58Å; W203-L254 HydrophobicContact CE3-CD1 4.05Å; W203-L254 HydrophobicContact CE3-CG 4.41Å; W203-L254 HydrophobicContact CG-CD1 3.8Å; W203-L254 HydrophobicContact CH2-CB 4.04Å; W203-L254 HydrophobicContact CZ2-CB 4.42Å; W203-L254 HydrophobicContact CZ3-CB 3.59Å; L214-L254 HydrophobicContact CB-CD1 4.29Å; L214-L254 PolarHBondContact O-N 3.25Å; M216-L254 HydrophobicContact CB-CD1 4.17Å; M216-L254 HydrophobicContact CB-CD2 3.72Å; M216-L254 HydrophobicContact CB-CG 3.86Å; M216-L254 HydrophobicContact CE-CD2 4.45Å; M216-L254 HydrophobicContact CG-CD2 4.46Å; M216-L254 HydrophobicContact SD-CD2 4.03Å; I223-L254 HydrophobicContact CB-CD1 4.36Å; I223-L254 HydrophobicContact CD1-CD1 3.7Å; I223-L254 HydrophobicContact CG1-CD1 3.86Å; I223-L254 HydrophobicContact CG2-CD1 3.63Å; V252-L254 PolarHBondContact O-N 2.65Å; L254-T256 PolarHBondContact O-N 3.44Å; L254-T256 VanDerWaalsContact O-N 3.14Å; L254-I257 HydrophobicContact CD2-CD1 4.02Å; L254-I257 WeakPolarHBondContact O-CG1 3.38Å; L254-I257 PolarHBondContact O-N 3.38Å; L254-I287 HydrophobicContact CD2-CD1 4.11Å |
| 255 | G | 86.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -72.5 | -2.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | K253 K294 T295 D296 | K253-G255 PolarHBondContact O-N 3.46Å; G255-K294 CarbonylContact O-C 3.54Å; G255-K294 WeakPolarHBondContact O-CA 3.49Å; G255-T295 VanDerWaalsContact CA-OG1 3.28Å; G255-T295 WeakPolarHBondContact CA-OG1 3.31Å; G255-T295 PolarHBondContact O-N 3.34Å; G255-D296 PolarHBondContact O-N 3.46Å |
| 256 | T | 86.1 | Confident | 88.9 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -105.8 | -0.7 | 178.4 | 67.5 | 0 | 0 | 0 | 0 | 113.7 | K253 L254 T258 E263 T298 | K253-T256 HydrophobicContact CB-CG2 4.3Å; K253-T256 HydrophobicContact CD-CG2 3.68Å; K253-T256 HydrophobicContact CG-CG2 3.99Å; K253-T256 PolarHBondContact O-N 3.43Å; K253-T256 VanDerWaalsContact O-N 3.11Å; K253-T256 PolarHBondContact O-OG1 3.16Å; L254-T256 PolarHBondContact O-N 3.44Å; L254-T256 VanDerWaalsContact O-N 3.14Å; T256-T258 PolarHBondContact O-N 3.33Å; T256-E263 HydrophobicContact CG2-CG 4.35Å; T256-E263 WeakPolarHBondContact CG2-OE2 3.4Å; T256-E263 WeakPolarHBondContact OG1-CB 3.26Å; T256-E263 PolarHBondContact OG1-N 3.45Å; T256-T298 HydrophobicContact CG2-CG2 4.38Å |
| 257 | I | 86.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -70.8 | 128.6 | -178.8 | -58.9 | 171.1 | 0 | 0 | 0 | 109.5 | V252 L254 L282 V289 M292 | V252-I257 HydrophobicContact CG1-CD1 4.44Å; V252-I257 HydrophobicContact CG2-CD1 4.09Å; V252-I257 HydrophobicContact CG2-CG1 3.94Å; L254-I257 HydrophobicContact CD2-CD1 4.02Å; L254-I257 WeakPolarHBondContact O-CG1 3.38Å; L254-I257 PolarHBondContact O-N 3.38Å; I257-L282 HydrophobicContact CD1-CD1 4.13Å; I257-L282 HydrophobicContact CD1-CD2 3.89Å; I257-L282 HydrophobicContact CG1-CD1 4.49Å; I257-L282 HydrophobicContact CG2-CD1 3.91Å; I257-V289 HydrophobicContact CG2-CG1 4.15Å; I257-M292 HydrophobicContact CB-CB 4.29Å; I257-M292 HydrophobicContact CB-CE 3.84Å; I257-M292 HydrophobicContact CD1-CE 4.07Å; I257-M292 HydrophobicContact CG1-CE 4.49Å; I257-M292 HydrophobicContact CG2-CB 3.83Å; I257-M292 HydrophobicContact CG2-CE 4.13Å; I257-M292 HydrophobicContact CG2-CG 3.92Å; I257-M292 WeakPolarHBondContact O-CB 3.42Å | ||
| 258 | T | 80.9 | Confident | 88.7 | Confident | 35 Ų | 35 | 26.8 Ų | 26.8 | 22% | 0.215 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -138.8 | 171.9 | 176.7 | 66.5 | 0 | 0 | 0 | 0 | 109.5 | T256 K260 G261 V289 K294 | T256-T258 PolarHBondContact O-N 3.33Å; T258-K260 PolarHBondContact O-N 3.49Å; T258-K260 PolarHBondContact OG1-N 3.09Å; T258-G261 PolarHBondContact N-O 3.08Å; T258-G261 PolarHBondContact O-N 3.49Å; T258-G261 PolarHBondContact OG1-O 2.92Å; T258-V289 CarbonylContact C-O 2.86Å; T258-K294 HydrophobicContact CG2-CB 3.89Å |
| 259 | P | 76.3 | Confident | 88.3 | Confident | 70 Ų | 70 | 26 Ų | 26 | 46% | 0.455 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -19.7 | 173.9 | -25.4 | 35.3 | 0 | 0 | 0 | 113.9 | V289 M290 M292 | P259-V289 WeakPolarHBondContact CA-O 3.34Å; P259-M290 HydrophobicContact CB-CE 3.91Å; P259-M290 HydrophobicContact CB-SD 4.09Å; P259-M292 WeakPolarHBondContact CD-O 3.27Å |
| 260 | K | 74.3 | Confident | 87.9 | Confident | 191 Ų | 191 | 29.9 Ų | 29.9 | 83% | 0.83 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -11.1 | 177.3 | -64.5 | -174.9 | 179 | -179.2 | 0 | 113.6 | T258 | T258-K260 PolarHBondContact O-N 3.49Å; T258-K260 PolarHBondContact OG1-N 3.09Å |
| 261 | G | 82.8 | Confident | 87.4 | Confident | 27 Ų | 27 | 32.1 Ų | 32.1 | 28% | 0.278 | 18% | 0.182 | S | C | . | . | B | Isolated β-bridge | trans | 129.4 | -169.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T258 | T258-G261 PolarHBondContact N-O 3.08Å; T258-G261 PolarHBondContact O-N 3.49Å; T258-G261 PolarHBondContact OG1-O 2.92Å |
| 262 | G | 85.1 | Confident | 87 | Confident | 25 Ų | 25 | 34.4 Ų | 34.4 | 26% | 0.258 | 19% | 0.193 | S | C | . | . | trans | -153.8 | 165.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V264 | G262-V264 PolarHBondContact O-N 2.99Š| ||
| 263 | E | 88.9 | Confident | 86.7 | Confident | 31 Ų | 31 | 34.6 Ų | 34.6 | 15% | 0.145 | 19% | 0.194 | C | C | . | . | trans | -70.2 | 119.7 | 179.1 | -75.9 | -170.9 | 132.4 | 0 | 0 | 110.7 | V252 K253 T256 M272 T298 M299 | V252-E263 CarbonylContact C-O 3.44Å; V252-E263 VanDerWaalsContact CA-O 3.3Å; V252-E263 WeakPolarHBondContact CA-O 3.41Å; V252-E263 WeakPolarHBondContact CG2-O 3.1Å; K253-E263 HydrophobicContact CB-CB 4.14Å; K253-E263 PolarHBondContact N-O 3.46Å; K253-E263 IonicContact NZ-OE2 2.75Å; T256-E263 HydrophobicContact CG2-CG 4.35Å; T256-E263 WeakPolarHBondContact CG2-OE2 3.4Å; T256-E263 WeakPolarHBondContact OG1-CB 3.26Å; T256-E263 PolarHBondContact OG1-N 3.45Å; E263-M272 HydrophobicContact CB-CE 3.48Å; E263-M272 VanDerWaalsContact CB-CE 3.48Å; E263-M272 HydrophobicContact CG-CE 3.65Å; E263-T298 WeakPolarHBondContact OE1-CB 3.4Å; E263-T298 WeakPolarHBondContact OE2-CA 3.5Å; E263-M299 PolarHBondContact OE1-N 2.88Å; E263-M299 PolarHBondContact OE2-N 3.08Å; E263-M299 VanDerWaalsContact OE2-N 3.07Å | ||
| 264 | V | 92.1 | Very high | 86.4 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.4 | 175.3 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | L218 L250 A251 V252 G262 V273 D275 L278 | L218-V264 HydrophobicContact CD1-CG1 3.97Å; L218-V264 HydrophobicContact CD1-CG2 4.44Å; L250-V264 HydrophobicContact CB-CG1 4.29Å; L250-V264 HydrophobicContact CD2-CG1 4.33Å; A251-V264 CarbonylContact O-C 3.52Å; A251-V264 WeakPolarHBondContact O-CA 3.44Å; V252-V264 HydrophobicContact CB-CG2 4.26Å; V252-V264 HydrophobicContact CG2-CG2 4.19Å; G262-V264 PolarHBondContact O-N 2.99Å; V264-V273 HydrophobicContact CB-CG2 4.15Å; V264-V273 HydrophobicContact CG1-CG2 3.83Å; V264-V273 PolarHBondContact O-N 3.07Å; V264-D275 HydrophobicContact CG1-CB 4.45Å; V264-D275 HydrophobicContact CG2-CB 4.13Å; V264-L278 HydrophobicContact CG2-CD1 3.88Å; V264-L278 HydrophobicContact CG2-CD2 3.95Å; V264-L278 HydrophobicContact CG2-CG 4.49Å |
| 265 | F | 92.7 | Very high | 86.4 | Confident | 26 Ų | 26 | 38.1 Ų | 38.1 | 11% | 0.114 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135.5 | 175.8 | -170.5 | -88.4 | 0 | 0 | 0 | 109.8 | W215 L250 A251 Y267 D270 M272 | W215-F265 HydrophobicContact CE3-CB 4.22Å; W215-F265 HydrophobicContact CH2-CB 3.97Å; W215-F265 HydrophobicContact CZ3-CB 3.51Å; L250-F265 WeakPolarHBondContact CA-O 3.45Å; A251-F265 PolarHBondContact N-O 2.88Å; A251-F265 PolarHBondContact O-N 2.79Å; F265-Y267 HydrophobicContact CD1-CD1 4.09Å; F265-Y267 HydrophobicContact CD1-CD2 4.29Å; F265-Y267 HydrophobicContact CD1-CE1 4.18Å; F265-Y267 HydrophobicContact CD1-CE2 4.37Å; F265-Y267 HydrophobicContact CD1-CG 4.14Å; F265-Y267 AromaticContact CE1-CD1 3.88Å; F265-Y267 HydrophobicContact CE1-CD1 3.88Å; F265-Y267 HydrophobicContact CE1-CE1 4.19Å; F265-Y267 HydrophobicContact CE1-CG 4.2Å; F265-D270 VanDerWaalsContact CZ-C 3.43Å; F265-D270 WeakPolarHBondContact CZ-OD1 3.44Å; F265-M272 HydrophobicContact CB-SD 4.22Å; F265-M272 HydrophobicContact CD2-CG 4.35Å; F265-M272 HydrophobicContact CD2-SD 3.75Å |
| 266 | S | 93.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114 | 173.2 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | E269 D270 S271 | S266-E269 WeakPolarHBondContact CB-OE2 3.47Å; S266-E269 WeakPolarHBondContact OG-CB 3.34Å; S266-E269 PolarHBondContact OG-N 2.85Å; S266-E269 PolarHBondContact OG-OE2 3.36Å; S266-D270 WeakPolarHBondContact O-CA 3.48Å; S266-D270 PolarHBondContact O-N 2.72Å; S266-S271 PolarHBondContact N-O 3.36Å; S266-S271 PolarHBondContact O-N 2.91Å |
| 267 | Y | 92.3 | Very high | 86.6 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -36.3 | 177.4 | -71.8 | -81 | 0 | 0 | 0 | 114.7 | A239 L240 Y243 P249 A251 F265 E269 D270 | A239-Y267 WeakPolarHBondContact CB-OH 3.48Å; L240-Y267 HydrophobicContact CB-CE1 4.01Å; L240-Y267 HydrophobicContact CD1-CD1 3.59Å; L240-Y267 HydrophobicContact CD1-CE1 3.72Å; Y243-Y267 HydrophobicContact CD1-CD1 4.1Å; Y243-Y267 AromaticContact CD1-CG 3.85Å; Y243-Y267 HydrophobicContact CD1-CG 3.85Å; Y243-Y267 HydrophobicContact CD2-CD2 4.38Å; Y243-Y267 HydrophobicContact CD2-CG 4.16Å; Y243-Y267 HydrophobicContact CE1-CG 4.47Å; Y243-Y267 HydrophobicContact CG-CD1 4.21Å; Y243-Y267 HydrophobicContact CG-CD2 4.07Å; Y243-Y267 AromaticContact CG-CG 3.63Å; Y243-Y267 HydrophobicContact CG-CG 3.63Å; P249-Y267 PolarHBondContact O-N 2.79Å; A251-Y267 HydrophobicContact CB-CE2 3.82Å; F265-Y267 HydrophobicContact CD1-CD1 4.09Å; F265-Y267 HydrophobicContact CD1-CD2 4.29Å; F265-Y267 HydrophobicContact CD1-CE1 4.18Å; F265-Y267 HydrophobicContact CD1-CE2 4.37Å; F265-Y267 HydrophobicContact CD1-CG 4.14Å; F265-Y267 AromaticContact CE1-CD1 3.88Å; F265-Y267 HydrophobicContact CE1-CD1 3.88Å; F265-Y267 HydrophobicContact CE1-CE1 4.19Å; F265-Y267 HydrophobicContact CE1-CG 4.2Å; Y267-E269 VanDerWaalsContact C-N 3.32Å; Y267-D270 PolarHBondContact O-N 3.43Å |
| 268 | P | 88.8 | Confident | 86.8 | Confident | 47 Ų | 47 | 45 Ų | 45 | 31% | 0.305 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -36.3 | 173.3 | -20.9 | 30.9 | 0 | 0 | 0 | 113.2 | Y185 Y243 P249 | Y185-P268 HydrophobicContact CD2-CG 4.28Å; Y185-P268 HydrophobicContact CE2-CB 3.65Å; Y185-P268 HydrophobicContact CE2-CG 3.7Å; Y243-P268 HydrophobicContact CE2-CG 3.92Å; Y243-P268 WeakPolarHBondContact OH-CA 3.28Å; Y243-P268 WeakPolarHBondContact OH-CG 3.49Å; P249-P268 HydrophobicContact CB-CG 3.69Å; P249-P268 WeakPolarHBondContact O-CD 3.38Å |
| 269 | E | 87.4 | Confident | 87.1 | Confident | 48 Ų | 48 | 45.9 Ų | 45.9 | 22% | 0.224 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -2.1 | -178 | -60.7 | 159.6 | 145.5 | 0 | 0 | 112.3 | F181 S183 S184 Y185 S266 Y267 S271 | F181-E269 HydrophobicContact CE2-CB 4.36Å; F181-E269 VanDerWaalsContact CE2-CD 3.5Å; F181-E269 HydrophobicContact CE2-CG 4.25Å; F181-E269 HydrophobicContact CZ-CB 3.9Å; F181-E269 HydrophobicContact CZ-CG 4.27Å; S183-E269 WeakPolarHBondContact CB-OE2 3.34Å; S183-E269 PolarHBondContact OG-OE2 3.39Å; S184-E269 WeakPolarHBondContact CB-OE1 3.29Å; S184-E269 PolarHBondContact N-OE1 3.12Å; S184-E269 VanDerWaalsContact N-OE1 3.11Å; S184-E269 PolarHBondContact OG-OE1 3Å; Y185-E269 HydrophobicContact CE2-CG 4.35Å; S266-E269 WeakPolarHBondContact CB-OE2 3.47Å; S266-E269 WeakPolarHBondContact OG-CB 3.34Å; S266-E269 PolarHBondContact OG-N 2.85Å; S266-E269 PolarHBondContact OG-OE2 3.36Å; Y267-E269 VanDerWaalsContact C-N 3.32Å; E269-S271 WeakPolarHBondContact O-CB 3.34Å; E269-S271 PolarHBondContact O-N 3.38Å; E269-S271 PolarHBondContact O-OG 3.37Å |
| 270 | D | 85.1 | Confident | 87.8 | Confident | 98 Ų | 98 | 48.6 Ų | 48.6 | 52% | 0.524 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.8 | 36.1 | -176.2 | -157.3 | 35.2 | 0 | 0 | 0 | 114.4 | R227 F265 S266 Y267 | R227-D270 IonicContact CZ-OD1 3.87Å; R227-D270 VanDerWaalsContact CZ-OD1 3.23Å; R227-D270 IonicContact NH1-OD1 2.97Å; R227-D270 PolarHBondContact NH1-OD1 2.98Å; R227-D270 IonicContact NH2-OD1 3.44Å; R227-D270 PolarHBondContact NH2-OD1 3.25Å; F265-D270 VanDerWaalsContact CZ-C 3.43Å; F265-D270 WeakPolarHBondContact CZ-OD1 3.44Å; S266-D270 WeakPolarHBondContact O-CA 3.48Å; S266-D270 PolarHBondContact O-N 2.72Å; Y267-D270 PolarHBondContact O-N 3.43Å |
| 271 | S | 84.4 | Confident | 88.6 | Confident | 46 Ų | 46 | 39.8 Ų | 39.8 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 156 | -170.5 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | S266 E269 | S266-S271 PolarHBondContact N-O 3.36Å; S266-S271 PolarHBondContact O-N 2.91Å; E269-S271 WeakPolarHBondContact O-CB 3.34Å; E269-S271 PolarHBondContact O-N 3.38Å; E269-S271 PolarHBondContact O-OG 3.37Å |
| 272 | M | 86.1 | Confident | 89.1 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 25% | 0.246 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 133.6 | 164.4 | -69.1 | -63.5 | -69.6 | 0 | 0 | 109.4 | W215 E263 F265 M299 | W215-M272 HydrophobicContact CH2-SD 4.17Å; E263-M272 HydrophobicContact CB-CE 3.48Å; E263-M272 VanDerWaalsContact CB-CE 3.48Å; E263-M272 HydrophobicContact CG-CE 3.65Å; F265-M272 HydrophobicContact CB-SD 4.22Å; F265-M272 HydrophobicContact CD2-CG 4.35Å; F265-M272 HydrophobicContact CD2-SD 3.75Å; M272-M299 HydrophobicContact SD-CG 4.46Å |
| 273 | V | 88.8 | Confident | 89.3 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 159.6 | -173.2 | -66.2 | 0 | 0 | 0 | 0 | 111.2 | F181 L250 V264 | F181-V273 HydrophobicContact CD2-CG1 4.38Å; F181-V273 HydrophobicContact CE1-CG1 4.39Å; F181-V273 HydrophobicContact CE2-CG1 3.83Å; F181-V273 HydrophobicContact CZ-CG1 3.83Å; F181-V273 WeakPolarHBondContact O-CA 3.4Å; L250-V273 HydrophobicContact CD2-CG2 3.96Å; V264-V273 HydrophobicContact CB-CG2 4.15Å; V264-V273 HydrophobicContact CG1-CG2 3.83Å; V264-V273 PolarHBondContact O-N 3.07Å |
| 274 | T | 86.1 | Confident | 89.3 | Confident | 65 Ų | 65 | 41 Ų | 41 | 40% | 0.399 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -96.9 | 135.5 | 170.4 | -57.6 | 0 | 0 | 0 | 0 | 109.7 | C180 F181 I182 S183 | C180-T274 WeakPolarHBondContact CB-OG1 3.17Å; C180-T274 PolarHBondContact O-OG1 2.98Å; F181-T274 PolarHBondContact O-N 2.83Å; I182-T274 WeakPolarHBondContact CA-O 3.44Å; S183-T274 PolarHBondContact N-O 3.01Å |
| 275 | D | 89.4 | Confident | 89.3 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | trans | -112.7 | 101.8 | 170.7 | 179 | 1.3 | 0 | 0 | 0 | 110 | A186 V264 K277 L278 H281 | A186-D275 HydrophobicContact CB-CB 4.23Å; V264-D275 HydrophobicContact CG1-CB 4.45Å; V264-D275 HydrophobicContact CG2-CB 4.13Å; D275-K277 PolarHBondContact O-N 3.28Å; D275-K277 WeakPolarHBondContact OD1-CA 3.06Å; D275-K277 PolarHBondContact OD1-N 3.33Å; D275-L278 HydrophobicContact CB-CB 4.06Å; D275-L278 VanDerWaalsContact O-CB 3.24Å; D275-L278 WeakPolarHBondContact O-CB 3.22Å; D275-L278 PolarHBondContact O-N 2.99Å; D275-L278 VanDerWaalsContact O-N 3.12Å; D275-L278 PolarHBondContact OD1-N 2.86Å; D275-H281 IonicContact OD1-CE1 2.71Å; D275-H281 PolarHBondContact OD1-CE1 3.35Å; D275-H281 IonicContact OD1-ND1 3.01Å; D275-H281 IonicContact OD2-CE1 3.99Å; D275-H281 PolarHBondContact OD2-CE1 3.03Å; D275-H281 VanDerWaalsContact OD2-CE1 3.3Å; D275-H281 IonicContact OD2-CG 2.65Å; D275-H281 IonicContact OD2-ND1 3.21Å; D275-H281 PolarHBondContact OD2-ND1 3.45Å | ||
| 276 | P | 87 | Confident | 89.1 | Confident | 69 Ų | 69 | 41.9 Ų | 41.9 | 45% | 0.448 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -22.3 | 178.6 | -26.6 | 37.1 | 0 | 0 | 0 | 114.4 | I182 M187 | I182-P276 HydrophobicContact CB-CG 4.5Å; I182-P276 HydrophobicContact CD1-CG 3.89Å; I182-P276 HydrophobicContact CG1-CG 3.94Å; I182-P276 HydrophobicContact CG2-CG 3.78Å; M187-P276 HydrophobicContact CE-CB 3.99Å; M187-P276 HydrophobicContact CE-CG 3.75Å |
| 277 | K | 89.8 | Confident | 88.8 | Confident | 71 Ų | 71 | 42.2 Ų | 42.2 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 13.4 | 179 | -70.3 | -173.6 | 178.4 | 178.3 | 0 | 112.9 | M187 D275 A279 E280 H281 | M187-K277 PolarHBondContact O-NZ 2.65Å; D275-K277 PolarHBondContact O-N 3.28Å; D275-K277 WeakPolarHBondContact OD1-CA 3.06Å; D275-K277 PolarHBondContact OD1-N 3.33Å; K277-A279 PolarHBondContact O-N 3.26Å; K277-A279 VanDerWaalsContact O-N 3.11Å; K277-E280 WeakPolarHBondContact O-CA 3.44Å; K277-E280 WeakPolarHBondContact O-CB 3.39Å; K277-E280 PolarHBondContact O-N 2.92Å; K277-H281 PolarHBondContact O-N 3.2Å |
| 278 | L | 90.4 | Very high | 88.5 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -51.9 | -42 | -175.1 | -177.5 | 60.1 | 0 | 0 | 0 | 113 | L218 V252 V264 D275 E280 H281 L282 | L218-L278 HydrophobicContact CD1-CD1 3.92Å; L218-L278 HydrophobicContact CD2-CD1 3.93Å; V252-L278 HydrophobicContact CB-CD1 4.28Å; V252-L278 HydrophobicContact CG2-CD1 4.11Å; V252-L278 HydrophobicContact CG2-CD2 4.48Å; V264-L278 HydrophobicContact CG2-CD1 3.88Å; V264-L278 HydrophobicContact CG2-CD2 3.95Å; V264-L278 HydrophobicContact CG2-CG 4.49Å; D275-L278 HydrophobicContact CB-CB 4.06Å; D275-L278 VanDerWaalsContact O-CB 3.24Å; D275-L278 WeakPolarHBondContact O-CB 3.22Å; D275-L278 PolarHBondContact O-N 2.99Å; D275-L278 VanDerWaalsContact O-N 3.12Å; D275-L278 PolarHBondContact OD1-N 2.86Å; L278-E280 VanDerWaalsContact C-N 3.33Å; L278-E280 PolarHBondContact O-N 3.42Å; L278-H281 PolarHBondContact O-N 3.35Å; L278-L282 HydrophobicContact CD1-CD1 3.99Å; L278-L282 HydrophobicContact CD1-CG 3.96Å; L278-L282 HydrophobicContact CD2-CD1 4.39Å; L278-L282 HydrophobicContact CG-CD1 3.76Å; L278-L282 HydrophobicContact CG-CG 4.18Å; L278-L282 VanDerWaalsContact O-CB 3.31Å; L278-L282 WeakPolarHBondContact O-CB 3.26Å; L278-L282 WeakPolarHBondContact O-CG 3.24Å; L278-L282 PolarHBondContact O-N 3.42Å |
| 279 | A | 89 | Confident | 88.2 | Confident | 54 Ų | 54 | 44 Ų | 44 | 45% | 0.446 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K277 A283 V289 | K277-A279 PolarHBondContact O-N 3.26Å; K277-A279 VanDerWaalsContact O-N 3.11Å; A279-A283 VanDerWaalsContact O-CB 3.26Å; A279-A283 WeakPolarHBondContact O-CB 3.3Å; A279-A283 PolarHBondContact O-N 3.5Å; A279-V289 HydrophobicContact CB-CG1 4.44Å; A279-V289 HydrophobicContact CB-CG2 4.09Å |
| 280 | E | 89.7 | Confident | 87.9 | Confident | 128 Ų | 128 | 47.3 Ų | 47.3 | 60% | 0.598 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.4 | -44.9 | 176 | -61 | 178.2 | -166.5 | 0 | 0 | 110.8 | K277 L278 L282 A283 H284 | K277-E280 WeakPolarHBondContact O-CA 3.44Å; K277-E280 WeakPolarHBondContact O-CB 3.39Å; K277-E280 PolarHBondContact O-N 2.92Å; L278-E280 VanDerWaalsContact C-N 3.33Å; L278-E280 PolarHBondContact O-N 3.42Å; E280-L282 PolarHBondContact O-N 3.36Å; E280-A283 PolarHBondContact O-N 3.03Å; E280-H284 PolarHBondContact O-N 3.24Å |
| 281 | H | 92.2 | Very high | 87.8 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 2% | 0.023 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | 178.2 | -59.3 | 160.5 | 0 | 0 | 0 | 111.9 | A186 Q191 L218 D275 K277 L278 H284 F285 | A186-H281 PolarHBondContact O-CE1 3.16Å; A186-H281 VanDerWaalsContact O-CE1 3.3Å; Q191-H281 VanDerWaalsContact CD-CD2 3.49Å; Q191-H281 PolarHBondContact NE2-CD2 3.03Å; Q191-H281 VanDerWaalsContact NE2-CG 3.34Å; L218-H281 HydrophobicContact CD2-CB 4.23Å; D275-H281 IonicContact OD1-CE1 2.71Å; D275-H281 PolarHBondContact OD1-CE1 3.35Å; D275-H281 IonicContact OD1-ND1 3.01Å; D275-H281 IonicContact OD2-CE1 3.99Å; D275-H281 PolarHBondContact OD2-CE1 3.03Å; D275-H281 VanDerWaalsContact OD2-CE1 3.3Å; D275-H281 IonicContact OD2-CG 2.65Å; D275-H281 IonicContact OD2-ND1 3.21Å; D275-H281 PolarHBondContact OD2-ND1 3.45Å; K277-H281 PolarHBondContact O-N 3.2Å; L278-H281 PolarHBondContact O-N 3.35Å; H281-H284 WeakPolarHBondContact O-CB 3.32Å; H281-F285 VanDerWaalsContact O-CD2 3.25Å; H281-F285 WeakPolarHBondContact O-CD2 3.49Å |
| 282 | L | 91.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.9 | -40 | 176.2 | -72.3 | 176.2 | 0 | 0 | 0 | 112.1 | M216 L218 V252 I257 L278 E280 H284 F285 G286 I287 V289 | M216-L282 HydrophobicContact CE-CD2 3.61Å; L218-L282 HydrophobicContact CD2-CD2 4.32Å; V252-L282 HydrophobicContact CG1-CD2 4.04Å; I257-L282 HydrophobicContact CD1-CD1 4.13Å; I257-L282 HydrophobicContact CD1-CD2 3.89Å; I257-L282 HydrophobicContact CG1-CD1 4.49Å; I257-L282 HydrophobicContact CG2-CD1 3.91Å; L278-L282 HydrophobicContact CD1-CD1 3.99Å; L278-L282 HydrophobicContact CD1-CG 3.96Å; L278-L282 HydrophobicContact CD2-CD1 4.39Å; L278-L282 HydrophobicContact CG-CD1 3.76Å; L278-L282 HydrophobicContact CG-CG 4.18Å; L278-L282 VanDerWaalsContact O-CB 3.31Å; L278-L282 WeakPolarHBondContact O-CB 3.26Å; L278-L282 WeakPolarHBondContact O-CG 3.24Å; L278-L282 PolarHBondContact O-N 3.42Å; E280-L282 PolarHBondContact O-N 3.36Å; L282-H284 VanDerWaalsContact C-N 3.27Å; L282-H284 PolarHBondContact O-N 3.44Å; L282-F285 PolarHBondContact O-N 3.24Å; L282-F285 VanDerWaalsContact O-N 3.14Å; L282-G286 PolarHBondContact O-N 2.87Å; L282-I287 CarbonylContact C-O 3.45Å; L282-I287 HydrophobicContact CB-CB 4.13Å; L282-I287 HydrophobicContact CB-CG2 4.37Å; L282-I287 HydrophobicContact CD2-CB 4.43Å; L282-I287 HydrophobicContact CD2-CD1 3.88Å; L282-I287 HydrophobicContact CD2-CG2 4.43Å; L282-I287 PolarHBondContact O-N 3.29Å; L282-V289 HydrophobicContact CB-CG1 4.28Å; L282-V289 HydrophobicContact CD1-CG1 3.41Å; L282-V289 VanDerWaalsContact CD1-CG1 3.41Å; L282-V289 HydrophobicContact CG-CG1 4.49Å |
| 283 | A | 89.9 | Confident | 87.3 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 52% | 0.521 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61 | -34.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A279 E280 F285 G286 | A279-A283 VanDerWaalsContact O-CB 3.26Å; A279-A283 WeakPolarHBondContact O-CB 3.3Å; A279-A283 PolarHBondContact O-N 3.5Å; E280-A283 PolarHBondContact O-N 3.03Å; A283-F285 VanDerWaalsContact C-N 3.26Å; A283-F285 PolarHBondContact O-N 2.85Å; A283-G286 PolarHBondContact O-N 3.48Å |
| 284 | H | 90.1 | Very high | 86.9 | Confident | 47 Ų | 47 | 56.6 Ų | 56.6 | 22% | 0.218 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.6 | -39.4 | 174.9 | -179.8 | 87.3 | 0 | 0 | 0 | 113 | Q191 I192 N193 R197 E280 H281 L282 G286 | Q191-H284 HydrophobicContact CB-CB 4.24Å; Q191-H284 WeakPolarHBondContact CB-CD2 3.18Å; Q191-H284 WeakPolarHBondContact CB-NE2 3.41Å; Q191-H284 HydrophobicContact CG-CB 4.05Å; I192-H284 PolarHBondContact O-NE2 2.94Å; I192-H284 VanDerWaalsContact O-NE2 3.08Å; N193-H284 PolarHBondContact OD1-CE1 2.78Å; R197-H284 PolarHBondContact NH1-O 3.17Å; R197-H284 VanDerWaalsContact NH1-O 3.15Å; E280-H284 PolarHBondContact O-N 3.24Å; H281-H284 WeakPolarHBondContact O-CB 3.32Å; L282-H284 VanDerWaalsContact C-N 3.27Å; L282-H284 PolarHBondContact O-N 3.44Å; H284-G286 VanDerWaalsContact C-N 3.29Å |
| 285 | F | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 3.2 | 177.6 | -60.7 | -69.2 | 0 | 0 | 0 | 113.4 | Q191 V196 R197 I198 M216 D220 G221 H281 L282 A283 | Q191-F285 HydrophobicContact CB-CE2 4.42Å; Q191-F285 HydrophobicContact CB-CZ 4.21Å; Q191-F285 HydrophobicContact CG-CE2 3.82Å; Q191-F285 HydrophobicContact CG-CZ 4.08Å; V196-F285 HydrophobicContact CB-CD1 4.48Å; V196-F285 HydrophobicContact CG1-CD1 4.43Å; R197-F285 WeakPolarHBondContact CA-O 3.5Å; I198-F285 HydrophobicContact CG1-CB 3.98Å; I198-F285 PolarHBondContact N-O 2.85Å; M216-F285 HydrophobicContact CE-CD2 4.09Å; D220-F285 VanDerWaalsContact C-CE1 3.46Å; G221-F285 VanDerWaalsContact CA-CE1 3.44Å; G221-F285 VanDerWaalsContact N-CE1 3.34Å; G221-F285 VanDerWaalsContact N-CZ 3.29Å; H281-F285 VanDerWaalsContact O-CD2 3.25Å; H281-F285 WeakPolarHBondContact O-CD2 3.49Å; L282-F285 PolarHBondContact O-N 3.24Å; L282-F285 VanDerWaalsContact O-N 3.14Å; A283-F285 VanDerWaalsContact C-N 3.26Å; A283-F285 PolarHBondContact O-N 2.85Å |
| 286 | G | 88 | Confident | 86 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 46% | 0.464 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 15.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | L282 A283 H284 | L282-G286 PolarHBondContact O-N 2.87Å; A283-G286 PolarHBondContact O-N 3.48Å; H284-G286 VanDerWaalsContact C-N 3.29Å |
| 287 | I | 87.9 | Confident | 85.4 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | trans | -88.9 | 113.7 | 175.7 | -60.9 | 171.3 | 0 | 0 | 0 | 108.6 | I198 M216 L254 L282 V289 M292 | I198-I287 HydrophobicContact CB-CD1 3.93Å; I198-I287 HydrophobicContact CB-CG1 3.93Å; I198-I287 HydrophobicContact CG1-CD1 4.47Å; I198-I287 HydrophobicContact CG2-CD1 3.84Å; I198-I287 HydrophobicContact CG2-CG1 4.14Å; M216-I287 HydrophobicContact CE-CD1 3.79Å; M216-I287 HydrophobicContact SD-CD1 3.88Å; L254-I287 HydrophobicContact CD2-CD1 4.11Å; L282-I287 CarbonylContact C-O 3.45Å; L282-I287 HydrophobicContact CB-CB 4.13Å; L282-I287 HydrophobicContact CB-CG2 4.37Å; L282-I287 HydrophobicContact CD2-CB 4.43Å; L282-I287 HydrophobicContact CD2-CD1 3.88Å; L282-I287 HydrophobicContact CD2-CG2 4.43Å; L282-I287 PolarHBondContact O-N 3.29Å; I287-V289 PolarHBondContact O-N 3.12Å; I287-M292 HydrophobicContact CG2-CE 4.14Å; I287-M292 HydrophobicContact CG2-CG 3.85Å; I287-M292 HydrophobicContact CG2-SD 3.97Å | ||
| 288 | D | 84.7 | Confident | 84.6 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 43% | 0.428 | 32% | 0.315 | S | S | . | . | trans | -86.7 | 106.4 | 170.9 | -175.2 | -9 | 0 | 0 | 0 | 110.1 | M290 L291 M292 | D288-M290 PolarHBondContact O-N 3.17Å; D288-M290 VanDerWaalsContact O-N 3.1Å; D288-M290 WeakPolarHBondContact OD1-CB 3.39Å; D288-M290 PolarHBondContact OD1-N 2.98Å; D288-L291 HydrophobicContact CB-CB 4.47Å; D288-L291 HydrophobicContact CB-CD1 4.09Å; D288-L291 HydrophobicContact CB-CG 4.2Å; D288-L291 PolarHBondContact O-N 2.8Å; D288-M292 WeakPolarHBondContact O-CG 3.48Å; D288-M292 PolarHBondContact O-N 3.14Å | ||
| 289 | V | 82.5 | Confident | 83.5 | Confident | 20 Ų | 20 | 58.3 Ų | 58.3 | 12% | 0.121 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -25.7 | 179 | -71.3 | 0 | 0 | 0 | 0 | 113.9 | I257 T258 P259 A279 L282 I287 L291 M292 | I257-V289 HydrophobicContact CG2-CG1 4.15Å; T258-V289 CarbonylContact C-O 2.86Å; P259-V289 WeakPolarHBondContact CA-O 3.34Å; A279-V289 HydrophobicContact CB-CG1 4.44Å; A279-V289 HydrophobicContact CB-CG2 4.09Å; L282-V289 HydrophobicContact CB-CG1 4.28Å; L282-V289 HydrophobicContact CD1-CG1 3.41Å; L282-V289 VanDerWaalsContact CD1-CG1 3.41Å; L282-V289 HydrophobicContact CG-CG1 4.49Å; I287-V289 PolarHBondContact O-N 3.12Å; V289-L291 VanDerWaalsContact C-N 3.31Å; V289-L291 PolarHBondContact O-N 2.96Å; V289-M292 PolarHBondContact O-N 3.26Å |
| 290 | M | 81.5 | Confident | 82.2 | Confident | 119 Ų | 119 | 57.4 Ų | 57.4 | 59% | 0.586 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -23.4 | 179.3 | -63.3 | -65.5 | 122.1 | 0 | 0 | 112.8 | P259 D288 | P259-M290 HydrophobicContact CB-CE 3.91Å; P259-M290 HydrophobicContact CB-SD 4.09Å; D288-M290 PolarHBondContact O-N 3.17Å; D288-M290 VanDerWaalsContact O-N 3.1Å; D288-M290 WeakPolarHBondContact OD1-CB 3.39Å; D288-M290 PolarHBondContact OD1-N 2.98Å |
| 291 | L | 83.3 | Confident | 81 | Confident | 135 Ų | 135 | 52 Ų | 52 | 71% | 0.707 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -12.2 | 179.2 | -62.3 | 179.4 | 0 | 0 | 0 | 113 | D288 V289 | D288-L291 HydrophobicContact CB-CB 4.47Å; D288-L291 HydrophobicContact CB-CD1 4.09Å; D288-L291 HydrophobicContact CB-CG 4.2Å; D288-L291 PolarHBondContact O-N 2.8Å; V289-L291 VanDerWaalsContact C-N 3.31Å; V289-L291 PolarHBondContact O-N 2.96Å |
| 292 | M | 80.1 | Confident | 79.8 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.059 | 30% | 0.299 | C | S | . | . | trans | -80.3 | 138.9 | -176 | -64.3 | -71.4 | -74.7 | 0 | 0 | 110.9 | W203 I257 P259 I287 D288 V289 | W203-M292 HydrophobicContact CH2-CE 3.49Å; W203-M292 VanDerWaalsContact CH2-CE 3.49Å; W203-M292 HydrophobicContact CZ2-CE 3.66Å; W203-M292 HydrophobicContact CZ2-SD 4.44Å; I257-M292 HydrophobicContact CB-CB 4.29Å; I257-M292 HydrophobicContact CB-CE 3.84Å; I257-M292 HydrophobicContact CD1-CE 4.07Å; I257-M292 HydrophobicContact CG1-CE 4.49Å; I257-M292 HydrophobicContact CG2-CB 3.83Å; I257-M292 HydrophobicContact CG2-CE 4.13Å; I257-M292 HydrophobicContact CG2-CG 3.92Å; I257-M292 WeakPolarHBondContact O-CB 3.42Å; P259-M292 WeakPolarHBondContact CD-O 3.27Å; I287-M292 HydrophobicContact CG2-CE 4.14Å; I287-M292 HydrophobicContact CG2-CG 3.85Å; I287-M292 HydrophobicContact CG2-SD 3.97Å; D288-M292 WeakPolarHBondContact O-CG 3.48Å; D288-M292 PolarHBondContact O-N 3.14Å; V289-M292 PolarHBondContact O-N 3.26Å | ||
| 293 | Q | 79.8 | Confident | 78.2 | Confident | 161 Ų | 161 | 60.4 Ų | 60.4 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | trans | -124.9 | 150 | 172.4 | -66.4 | -177.7 | -5.9 | 0 | 0 | 108.4 | T295 | Q293-T295 PolarHBondContact O-N 3.3Š| ||
| 294 | K | 79.2 | Confident | 76.5 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 37% | 0.37 | 31% | 0.312 | S | S | . | . | trans | -65.5 | 117.5 | 178.4 | -176 | -179.8 | 172.7 | -164.3 | 0 | 110.2 | G255 T258 D296 E301 | G255-K294 CarbonylContact O-C 3.54Å; G255-K294 WeakPolarHBondContact O-CA 3.49Å; T258-K294 HydrophobicContact CG2-CB 3.89Å; K294-D296 WeakPolarHBondContact CE-O 3.36Å; K294-D296 WeakPolarHBondContact CG-O 3.19Å; K294-E301 WeakPolarHBondContact CE-OE2 3.42Å; K294-E301 IonicContact NZ-OE1 2.65Å; K294-E301 PolarHBondContact NZ-OE1 2.89Å; K294-E301 IonicContact NZ-OE2 2.67Å; K294-E301 PolarHBondContact NZ-OE2 2.93Å | ||
| 295 | T | 80.4 | Confident | 74.9 | Confident | 95 Ų | 95 | 58.3 Ų | 58.3 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | trans | -109.6 | -24.8 | 177.2 | 61.8 | 0 | 0 | 0 | 0 | 113.1 | G255 Q293 | G255-T295 VanDerWaalsContact CA-OG1 3.28Å; G255-T295 WeakPolarHBondContact CA-OG1 3.31Å; G255-T295 PolarHBondContact O-N 3.34Å; Q293-T295 PolarHBondContact O-N 3.3Å | ||
| 296 | D | 77.5 | Confident | 73.1 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -111 | 151.4 | 180 | -71.7 | 3.5 | 0 | 0 | 0 | 110.8 | N213 G255 K294 | N213-D296 PolarHBondContact N-OD2 3.27Å; G255-D296 PolarHBondContact O-N 3.46Å; K294-D296 WeakPolarHBondContact CE-O 3.36Å; K294-D296 WeakPolarHBondContact CG-O 3.19Å |
| 297 | K | 74.2 | Confident | 71.2 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | trans | -62.7 | 143.8 | 169.2 | -70.7 | -175.4 | 179.2 | -165.8 | 0 | 110.7 | K253 E301 L302 D305 | K253-K297 WeakPolarHBondContact CE-O 3.12Å; K253-K297 PolarHBondContact NZ-O 2.96Å; K297-E301 WeakPolarHBondContact CA-OE2 3.26Å; K297-E301 HydrophobicContact CB-CB 3.82Å; K297-E301 HydrophobicContact CD-CB 4.48Å; K297-E301 HydrophobicContact CG-CB 4.3Å; K297-L302 HydrophobicContact CB-CD2 3.95Å; K297-L302 HydrophobicContact CB-CG 3.87Å; K297-L302 HydrophobicContact CD-CD2 4.07Å; K297-D305 IonicContact NZ-OD1 3.58Å; K297-D305 PolarHBondContact NZ-OD1 2.98Å; K297-D305 IonicContact NZ-OD2 3.44Å; K297-D305 PolarHBondContact NZ-OD2 3.35Å | ||
| 298 | T | 73.2 | Confident | 69.3 | Low | 22 Ų | 22 | 66.1 Ų | 66.1 | 14% | 0.135 | 34% | 0.344 | C | S | . | . | trans | -65.3 | 167.6 | 170.1 | 59.1 | 0 | 0 | 0 | 0 | 111.7 | T256 E263 A300 E301 L302 | T256-T298 HydrophobicContact CG2-CG2 4.38Å; E263-T298 WeakPolarHBondContact OE1-CB 3.4Å; E263-T298 WeakPolarHBondContact OE2-CA 3.5Å; T298-A300 VanDerWaalsContact C-N 3.32Å; T298-E301 VanDerWaalsContact CG2-OE1 3.28Å; T298-E301 WeakPolarHBondContact CG2-OE1 3.18Å; T298-E301 PolarHBondContact N-OE2 3.2Å; T298-E301 PolarHBondContact O-N 3.28Å; T298-E301 WeakPolarHBondContact OG1-CB 3.37Å; T298-E301 WeakPolarHBondContact OG1-CG 3.42Å; T298-E301 PolarHBondContact OG1-N 2.83Å; T298-E301 VanDerWaalsContact OG1-N 3.15Å; T298-E301 PolarHBondContact OG1-OE1 3.37Å; T298-L302 WeakPolarHBondContact O-CG 3.36Å; T298-L302 PolarHBondContact O-N 3.5Å; T298-L302 VanDerWaalsContact O-N 3.08Å | ||
| 299 | M | 67.7 | Low | 67.5 | Low | 35 Ų | 35 | 71 Ų | 71 | 17% | 0.172 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.1 | -46 | 172.4 | -72.3 | -66.3 | 99.2 | 0 | 0 | 111.1 | W215 K253 E263 M272 E301 L302 E303 | W215-M299 HydrophobicContact CH2-CG 4.42Å; W215-M299 HydrophobicContact CZ2-CE 4.01Å; W215-M299 HydrophobicContact CZ2-CG 4.19Å; W215-M299 HydrophobicContact CZ2-SD 4.04Å; K253-M299 HydrophobicContact CD-CE 3.97Å; E263-M299 PolarHBondContact OE1-N 2.88Å; E263-M299 PolarHBondContact OE2-N 3.08Å; E263-M299 VanDerWaalsContact OE2-N 3.07Å; M272-M299 HydrophobicContact SD-CG 4.46Å; M299-E301 VanDerWaalsContact C-N 3.34Å; M299-E301 PolarHBondContact O-N 3.48Å; M299-L302 HydrophobicContact CE-CD1 3.61Å; M299-L302 PolarHBondContact O-N 3.19Å; M299-L302 VanDerWaalsContact O-N 3.17Å; M299-E303 PolarHBondContact O-N 3.43Å |
| 300 | A | 61.6 | Low | 66 | Low | 35 Ų | 35 | 72.7 Ų | 72.7 | 29% | 0.289 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T298 L302 E303 V304 | T298-A300 VanDerWaalsContact C-N 3.32Å; A300-L302 VanDerWaalsContact C-N 3.33Å; A300-L302 PolarHBondContact O-N 3.26Å; A300-E303 PolarHBondContact O-N 3.15Å; A300-V304 WeakPolarHBondContact O-CG2 3.4Å; A300-V304 PolarHBondContact O-N 3.19Å |
| 301 | E | 64.4 | Low | 64.5 | Low | 14 Ų | 14 | 67.7 Ų | 67.7 | 7% | 0.065 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.6 | -38 | 176.1 | -79.8 | 153.9 | -133.3 | 0 | 0 | 113.3 | T88 K294 K297 T298 M299 E303 V304 D305 | T88-E301 VanDerWaalsContact CB-CG 3.41Å; T88-E301 VanDerWaalsContact CB-OE1 3.24Å; T88-E301 WeakPolarHBondContact CB-OE1 3.29Å; T88-E301 VanDerWaalsContact CG2-CD 3.43Å; T88-E301 HydrophobicContact CG2-CG 3.82Å; T88-E301 WeakPolarHBondContact O-CG 3.17Å; K294-E301 WeakPolarHBondContact CE-OE2 3.42Å; K294-E301 IonicContact NZ-OE1 2.65Å; K294-E301 PolarHBondContact NZ-OE1 2.89Å; K294-E301 IonicContact NZ-OE2 2.67Å; K294-E301 PolarHBondContact NZ-OE2 2.93Å; K297-E301 WeakPolarHBondContact CA-OE2 3.26Å; K297-E301 HydrophobicContact CB-CB 3.82Å; K297-E301 HydrophobicContact CD-CB 4.48Å; K297-E301 HydrophobicContact CG-CB 4.3Å; T298-E301 VanDerWaalsContact CG2-OE1 3.28Å; T298-E301 WeakPolarHBondContact CG2-OE1 3.18Å; T298-E301 PolarHBondContact N-OE2 3.2Å; T298-E301 PolarHBondContact O-N 3.28Å; T298-E301 WeakPolarHBondContact OG1-CB 3.37Å; T298-E301 WeakPolarHBondContact OG1-CG 3.42Å; T298-E301 PolarHBondContact OG1-N 2.83Å; T298-E301 VanDerWaalsContact OG1-N 3.15Å; T298-E301 PolarHBondContact OG1-OE1 3.37Å; M299-E301 VanDerWaalsContact C-N 3.34Å; M299-E301 PolarHBondContact O-N 3.48Å; E301-E303 VanDerWaalsContact C-N 3.33Å; E301-V304 PolarHBondContact O-N 2.8Å; E301-D305 WeakPolarHBondContact O-CB 3.38Å; E301-D305 PolarHBondContact O-N 3.48Å |
| 302 | L | 65.5 | Low | 63 | Low | 51 Ų | 51 | 63.6 Ų | 63.6 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.7 | -36.4 | 177.1 | -72.3 | 168.9 | 0 | 0 | 0 | 111.4 | K297 T298 M299 A300 D305 A306 | K297-L302 HydrophobicContact CB-CD2 3.95Å; K297-L302 HydrophobicContact CB-CG 3.87Å; K297-L302 HydrophobicContact CD-CD2 4.07Å; T298-L302 WeakPolarHBondContact O-CG 3.36Å; T298-L302 PolarHBondContact O-N 3.5Å; T298-L302 VanDerWaalsContact O-N 3.08Å; M299-L302 HydrophobicContact CE-CD1 3.61Å; M299-L302 PolarHBondContact O-N 3.19Å; M299-L302 VanDerWaalsContact O-N 3.17Å; A300-L302 VanDerWaalsContact C-N 3.33Å; A300-L302 PolarHBondContact O-N 3.26Å; L302-D305 PolarHBondContact O-N 3.29Å; L302-A306 VanDerWaalsContact O-CB 3.23Å; L302-A306 WeakPolarHBondContact O-CB 3.45Å; L302-A306 PolarHBondContact O-N 2.83Å |
| 303 | E | 59.9 | Low | 61.6 | Low | 131 Ų | 131 | 67 Ų | 67 | 61% | 0.612 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.1 | -43 | 174.6 | -71.8 | 175.6 | 176.3 | 0 | 0 | 111.9 | M299 A300 E301 A306 N307 | M299-E303 PolarHBondContact O-N 3.43Å; A300-E303 PolarHBondContact O-N 3.15Å; E301-E303 VanDerWaalsContact C-N 3.33Å; E303-A306 PolarHBondContact O-N 3.4Å; E303-N307 WeakPolarHBondContact O-CB 3.26Å; E303-N307 PolarHBondContact O-N 2.94Å |
| 304 | V | 52.3 | Low | 60.4 | Low | 30 Ų | 30 | 62.8 Ų | 62.8 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -48.4 | 173.8 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | L90 A300 E301 A306 N307 E308 | L90-V304 HydrophobicContact CD1-CG1 4.16Å; L90-V304 HydrophobicContact CD1-CG2 3.75Å; L90-V304 HydrophobicContact CD2-CG1 4.27Å; L90-V304 HydrophobicContact CG-CG1 4.03Å; L90-V304 HydrophobicContact CG-CG2 3.8Å; A300-V304 WeakPolarHBondContact O-CG2 3.4Å; A300-V304 PolarHBondContact O-N 3.19Å; E301-V304 PolarHBondContact O-N 2.8Å; V304-A306 VanDerWaalsContact C-N 3.3Å; V304-A306 PolarHBondContact O-N 2.7Å; V304-N307 PolarHBondContact O-N 3.48Å; V304-E308 PolarHBondContact O-N 2.91Å |
| 305 | D | 57.4 | Low | 59.4 | Low | 36 Ų | 36 | 61.7 Ų | 61.7 | 19% | 0.193 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 177 | -114.8 | 60.1 | 0 | 0 | 0 | 113.1 | K297 E301 L302 R309 | K297-D305 IonicContact NZ-OD1 3.58Å; K297-D305 PolarHBondContact NZ-OD1 2.98Å; K297-D305 IonicContact NZ-OD2 3.44Å; K297-D305 PolarHBondContact NZ-OD2 3.35Å; E301-D305 WeakPolarHBondContact O-CB 3.38Å; E301-D305 PolarHBondContact O-N 3.48Å; L302-D305 PolarHBondContact O-N 3.29Å; D305-R309 PolarHBondContact O-N 3.14Å; D305-R309 IonicContact OD2-NH1 3.3Å; D305-R309 PolarHBondContact OD2-NH1 2.76Å |
| 306 | A | 53.4 | Low | 58.6 | Low | 44 Ų | 44 | 57.4 Ų | 57.4 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.2 | -40.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L302 E303 V304 R309 L310 | L302-A306 VanDerWaalsContact O-CB 3.23Å; L302-A306 WeakPolarHBondContact O-CB 3.45Å; L302-A306 PolarHBondContact O-N 2.83Å; E303-A306 PolarHBondContact O-N 3.4Å; V304-A306 VanDerWaalsContact C-N 3.3Å; V304-A306 PolarHBondContact O-N 2.7Å; A306-R309 PolarHBondContact O-N 3.13Å; A306-R309 VanDerWaalsContact O-N 3.17Å; A306-L310 PolarHBondContact O-N 3.07Å |
| 307 | N | 49.7 | Very low | 57.8 | Low | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.219 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 176.4 | -82.7 | -7.6 | 0 | 0 | 0 | 112 | E303 V304 R309 | E303-N307 WeakPolarHBondContact O-CB 3.26Å; E303-N307 PolarHBondContact O-N 2.94Å; V304-N307 PolarHBondContact O-N 3.48Å; N307-R309 VanDerWaalsContact C-N 3.26Å; N307-R309 PolarHBondContact O-N 3.47Å |
| 308 | E | 48.2 | Very low | 57.3 | Low | 131 Ų | 131 | 53.5 Ų | 53.5 | 61% | 0.612 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.7 | -26.9 | 173.3 | -74 | -171 | 163.7 | 0 | 0 | 113.3 | V304 | V304-E308 PolarHBondContact O-N 2.91Å |
| 309 | R | 46.5 | Very low | 56.5 | Low | 182 Ų | 182 | 55.4 Ų | 55.4 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -86.6 | -18.6 | -177.5 | -84.4 | -175.4 | 179 | 115.2 | 1.1 | 115 | D305 A306 N307 G311 | D305-R309 PolarHBondContact O-N 3.14Å; D305-R309 IonicContact OD2-NH1 3.3Å; D305-R309 PolarHBondContact OD2-NH1 2.76Å; A306-R309 PolarHBondContact O-N 3.13Å; A306-R309 VanDerWaalsContact O-N 3.17Å; N307-R309 VanDerWaalsContact C-N 3.26Å; N307-R309 PolarHBondContact O-N 3.47Å; R309-G311 PolarHBondContact O-N 2.89Å |
| 310 | L | 50 | Low | 56 | Low | 55 Ų | 55 | 58.6 Ų | 58.6 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | trans | -65.6 | 121.8 | -178.6 | -76.7 | 166.7 | 0 | 0 | 0 | 109.9 | A306 E312 W313 | A306-L310 PolarHBondContact O-N 3.07Å; L310-E312 PolarHBondContact O-N 3.36Å; L310-W313 WeakPolarHBondContact O-CB 3.48Å; L310-W313 PolarHBondContact O-N 3.22Å | ||
| 311 | G | 50.7 | Low | 55.8 | Low | 14 Ų | 14 | 61 Ų | 61 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.1 | -22.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R309 W313 L314 T315 | R309-G311 PolarHBondContact O-N 2.89Å; G311-W313 VanDerWaalsContact C-N 3.26Å; G311-W313 PolarHBondContact O-N 3.4Å; G311-L314 WeakPolarHBondContact O-CB 3.36Å; G311-L314 PolarHBondContact O-N 2.83Å; G311-T315 PolarHBondContact O-N 3.18Å; G311-T315 PolarHBondContact O-OG1 3.12Å |
| 312 | E | 51 | Low | 56 | Low | 50 Ų | 50 | 67.3 Ų | 67.3 | 23% | 0.234 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.7 | -39 | 171.3 | -72 | 179.3 | -153.2 | 0 | 0 | 112.6 | L310 T315 L316 K610 | L310-E312 PolarHBondContact O-N 3.36Å; E312-T315 PolarHBondContact O-N 3.09Å; E312-L316 VanDerWaalsContact O-CB 3.28Å; E312-L316 WeakPolarHBondContact O-CB 3.4Å; E312-L316 WeakPolarHBondContact O-CG 3.45Å; E312-L316 PolarHBondContact O-N 3.3Å; E312-K610 IonicContact OE2-NZ 2.65Å |
| 313 | W | 51.8 | Low | 56.7 | Low | 84 Ų | 84 | 67.1 Ų | 67.1 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.6 | -110.5 | 74 | 0 | 0 | 0 | 111.4 | L310 G311 Q317 M839 H847 | L310-W313 WeakPolarHBondContact O-CB 3.48Å; L310-W313 PolarHBondContact O-N 3.22Å; G311-W313 VanDerWaalsContact C-N 3.26Å; G311-W313 PolarHBondContact O-N 3.4Å; W313-Q317 VanDerWaalsContact CH2-NE2 3.32Å; W313-Q317 WeakPolarHBondContact O-CB 3.43Å; W313-Q317 WeakPolarHBondContact O-CG 3.26Å; W313-Q317 PolarHBondContact O-N 2.84Å; W313-Q317 VanDerWaalsContact O-N 3.1Å; W313-M839 HydrophobicContact CD2-SD 4.22Å; W313-M839 HydrophobicContact CG-SD 4.15Å; W313-H847 HydrophobicContact CZ2-CB 3.85Å |
| 314 | L | 53.8 | Low | 57.9 | Low | 71 Ų | 71 | 65.9 Ų | 65.9 | 37% | 0.372 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 179 | -77.5 | 152.5 | 0 | 0 | 0 | 111.9 | G311 E318 S319 | G311-L314 WeakPolarHBondContact O-CB 3.36Å; G311-L314 PolarHBondContact O-N 2.83Å; L314-E318 CarbonylContact O-C 3.52Å; L314-E318 VanDerWaalsContact O-CA 3.32Å; L314-E318 WeakPolarHBondContact O-CA 3.4Å; L314-E318 PolarHBondContact O-N 3.42Å; L314-E318 VanDerWaalsContact O-N 3.12Å; L314-S319 WeakPolarHBondContact CA-OG 3.25Å; L314-S319 WeakPolarHBondContact CD2-OG 3.39Å; L314-S319 PolarHBondContact O-N 2.84Å |
| 315 | T | 57.5 | Low | 59.7 | Low | 62 Ų | 62 | 66.8 Ų | 66.8 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.5 | -44 | 179.8 | -54 | 0 | 0 | 0 | 0 | 112.3 | G311 E312 E318 | G311-T315 PolarHBondContact O-N 3.18Å; G311-T315 PolarHBondContact O-OG1 3.12Å; E312-T315 PolarHBondContact O-N 3.09Å; T315-E318 PolarHBondContact O-N 2.78Å |
| 316 | L | 65.1 | Low | 61.3 | Low | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74.8 | -27 | -174.7 | -76.2 | 174.6 | 0 | 0 | 0 | 113.8 | E312 S837 M839 P897 H900 | E312-L316 VanDerWaalsContact O-CB 3.28Å; E312-L316 WeakPolarHBondContact O-CB 3.4Å; E312-L316 WeakPolarHBondContact O-CG 3.45Å; E312-L316 PolarHBondContact O-N 3.3Å; L316-S837 VanDerWaalsContact CD2-CB 3.47Å; L316-M839 HydrophobicContact CB-CE 4.42Å; L316-M839 HydrophobicContact CB-CG 3.51Å; L316-M839 HydrophobicContact CB-SD 3.68Å; L316-M839 HydrophobicContact CD1-CB 4.26Å; L316-M839 HydrophobicContact CD1-CG 3.27Å; L316-M839 HydrophobicContact CG-CG 3.98Å; L316-P897 HydrophobicContact CD2-CB 3.98Å; L316-P897 HydrophobicContact CD2-CG 3.89Å; L316-H900 HydrophobicContact CD2-CB 3.58Å; L316-H900 HydrophobicContact CG-CB 4.43Å |
| 317 | Q | 61.2 | Low | 63.1 | Low | 27 Ų | 27 | 64.8 Ų | 64.8 | 13% | 0.126 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -2.9 | 171.6 | -60 | -170.7 | 16.4 | 0 | 0 | 113.2 | W313 S319 M839 H847 N886 | W313-Q317 VanDerWaalsContact CH2-NE2 3.32Å; W313-Q317 WeakPolarHBondContact O-CB 3.43Å; W313-Q317 WeakPolarHBondContact O-CG 3.26Å; W313-Q317 PolarHBondContact O-N 2.84Å; W313-Q317 VanDerWaalsContact O-N 3.1Å; Q317-S319 PolarHBondContact O-N 2.84Å; Q317-S319 VanDerWaalsContact O-N 3.14Å; Q317-M839 HydrophobicContact CG-CE 4.03Å; Q317-M839 HydrophobicContact CG-SD 3.59Å; Q317-M839 VanDerWaalsContact CG-SD 3.59Å; Q317-M839 PolarHBondContact NE2-SD 3.25Å; Q317-H847 PolarHBondContact NE2-CD2 3Å; Q317-N886 PolarHBondContact OE1-ND2 3.32Å |
| 318 | E | 62.2 | Low | 65.1 | Low | 3 Ų | 3 | 63.3 Ų | 63.3 | 1% | 0.014 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 33.9 | -168.8 | -61.3 | -179.4 | -131.4 | 0 | 0 | 112.3 | L314 T315 N320 H321 L323 H851 S893 E894 C895 | L314-E318 CarbonylContact O-C 3.52Å; L314-E318 VanDerWaalsContact O-CA 3.32Å; L314-E318 WeakPolarHBondContact O-CA 3.4Å; L314-E318 PolarHBondContact O-N 3.42Å; L314-E318 VanDerWaalsContact O-N 3.12Å; T315-E318 PolarHBondContact O-N 2.78Å; E318-N320 VanDerWaalsContact C-OD1 3.32Å; E318-N320 PolarHBondContact O-N 3.08Å; E318-H321 WeakPolarHBondContact O-CA 3.29Å; E318-H321 WeakPolarHBondContact O-CB 3.18Å; E318-H321 PolarHBondContact O-N 2.77Å; E318-L323 HydrophobicContact CB-CD1 3.95Å; E318-L323 HydrophobicContact CB-CD2 3.87Å; E318-L323 HydrophobicContact CB-CG 4.32Å; E318-H851 IonicContact OE1-NE2 3.15Å; E318-S893 WeakPolarHBondContact OE1-CA 3.33Å; E318-S893 VanDerWaalsContact OE1-CB 3.23Å; E318-S893 WeakPolarHBondContact OE1-CB 3.03Å; E318-S893 PolarHBondContact OE1-OG 3.41Å; E318-E894 PolarHBondContact OE2-N 3.18Å; E318-C895 PolarHBondContact OE2-N 2.92Å |
| 319 | S | 56.3 | Low | 67.2 | Low | 63 Ų | 63 | 58.4 Ų | 58.4 | 44% | 0.441 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -7.3 | -172.3 | 65.8 | 0 | 0 | 0 | 0 | 113.6 | L314 Q317 | L314-S319 WeakPolarHBondContact CA-OG 3.25Å; L314-S319 WeakPolarHBondContact CD2-OG 3.39Å; L314-S319 PolarHBondContact O-N 2.84Å; Q317-S319 PolarHBondContact O-N 2.84Å; Q317-S319 VanDerWaalsContact O-N 3.14Å |
| 320 | N | 56.8 | Low | 69.4 | Low | 101 Ų | 101 | 50 Ų | 50 | 54% | 0.54 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -15.7 | 163 | 63.5 | -39.6 | 0 | 0 | 0 | 112.5 | E318 | E318-N320 VanDerWaalsContact C-OD1 3.32Å; E318-N320 PolarHBondContact O-N 3.08Å |
| 321 | H | 58.8 | Low | 71.5 | Confident | 85 Ų | 85 | 48 Ų | 48 | 39% | 0.394 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -103.7 | 141 | 176.8 | -60.7 | -75.5 | 0 | 0 | 0 | 111 | E318 L323 | E318-H321 WeakPolarHBondContact O-CA 3.29Å; E318-H321 WeakPolarHBondContact O-CB 3.18Å; E318-H321 PolarHBondContact O-N 2.77Å; H321-L323 VanDerWaalsContact C-N 3.33Å; H321-L323 HydrophobicContact CB-CD2 3.64Å; H321-L323 HydrophobicContact CB-CG 4.39Å; H321-L323 PolarHBondContact O-N 3.33Å |
| 322 | T | 68.3 | Low | 73.6 | Confident | 147 Ų | 147 | 47.3 Ų | 47.3 | 90% | 0.902 | 26% | 0.259 | S | S | * | . | trans | -77.7 | 88.2 | 164.3 | 51.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 323 | L | 80.3 | Confident | 75.6 | Confident | 47 Ų | 47 | 45 Ų | 45 | 25% | 0.246 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 141.3 | -176.7 | -55.8 | 179.7 | 0 | 0 | 0 | 111.7 | E318 H321 A325 I884 A891 E894 | E318-L323 HydrophobicContact CB-CD1 3.95Å; E318-L323 HydrophobicContact CB-CD2 3.87Å; E318-L323 HydrophobicContact CB-CG 4.32Å; H321-L323 VanDerWaalsContact C-N 3.33Å; H321-L323 HydrophobicContact CB-CD2 3.64Å; H321-L323 HydrophobicContact CB-CG 4.39Å; H321-L323 PolarHBondContact O-N 3.33Å; L323-A325 PolarHBondContact O-N 2.9Å; L323-I884 HydrophobicContact CD1-CG2 3.92Å; L323-A891 HydrophobicContact CB-CB 3.68Å; L323-A891 HydrophobicContact CD1-CB 4.23Å; L323-E894 HydrophobicContact CD2-CG 4.21Å |
| 324 | E | 85.7 | Confident | 77.6 | Confident | 105 Ų | 105 | 41 Ų | 41 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -79.8 | 118.6 | 177.3 | -162.3 | -167.4 | 157 | 0 | 0 | 109.8 | R326 A891 K892 | E324-R326 PolarHBondContact O-N 3.42Å; E324-R326 IonicContact OE1-CZ 2.8Å; E324-R326 IonicContact OE1-NH1 3.31Å; E324-R326 PolarHBondContact OE1-NH1 3.11Å; E324-R326 IonicContact OE1-NH2 2.73Å; E324-R326 IonicContact OE2-CZ 3.87Å; E324-R326 IonicContact OE2-NH1 2.7Å; E324-R326 PolarHBondContact OE2-NH1 3.3Å; E324-R326 VanDerWaalsContact OE2-NH1 3.16Å; E324-R326 IonicContact OE2-NH2 3.87Å; E324-R326 PolarHBondContact OE2-NH2 2.86Å; E324-A891 CarbonylContact O-C 3.59Å; E324-A891 VanDerWaalsContact O-CA 3.25Å; E324-A891 WeakPolarHBondContact O-CA 3.47Å; E324-A891 WeakPolarHBondContact O-CB 3.32Å; E324-K892 HydrophobicContact CB-CB 4.44Å; E324-K892 PolarHBondContact O-N 3.24Å |
| 325 | A | 88.4 | Confident | 78.9 | Confident | 49 Ų | 49 | 39.9 Ų | 39.9 | 41% | 0.405 | 23% | 0.225 | S | C | . | . | B | Isolated β-bridge | trans | -59.8 | 139.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L323 L407 | L323-A325 PolarHBondContact O-N 2.9Å; A325-L407 HydrophobicContact CB-CD2 3.73Å |
| 326 | R | 90.9 | Very high | 79.8 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 6% | 0.06 | 22% | 0.22 | C | C | . | . | trans | -122.9 | 141.4 | 179.7 | -73 | -76.7 | -179.3 | -89.2 | 0.2 | 109.1 | E324 M331 E881 I883 V890 K892 | E324-R326 PolarHBondContact O-N 3.42Å; E324-R326 IonicContact OE1-CZ 2.8Å; E324-R326 IonicContact OE1-NH1 3.31Å; E324-R326 PolarHBondContact OE1-NH1 3.11Å; E324-R326 IonicContact OE1-NH2 2.73Å; E324-R326 IonicContact OE2-CZ 3.87Å; E324-R326 IonicContact OE2-NH1 2.7Å; E324-R326 PolarHBondContact OE2-NH1 3.3Å; E324-R326 VanDerWaalsContact OE2-NH1 3.16Å; E324-R326 IonicContact OE2-NH2 3.87Å; E324-R326 PolarHBondContact OE2-NH2 2.86Å; R326-M331 HydrophobicContact CB-SD 3.92Å; R326-E881 IonicContact CZ-OE1 3.65Å; R326-E881 IonicContact CZ-OE2 3.83Å; R326-E881 IonicContact NE-OE1 3.86Å; R326-E881 PolarHBondContact NE-OE1 3.03Å; R326-E881 IonicContact NE-OE2 2.98Å; R326-E881 IonicContact NH2-OE2 3.69Å; R326-E881 PolarHBondContact NH2-OE2 2.97Å; R326-I883 HydrophobicContact CB-CD1 4.26Å; R326-I883 HydrophobicContact CG-CD1 3.85Å; R326-V890 HydrophobicContact CB-CG1 4.23Å; R326-V890 PolarHBondContact N-O 2.99Å; R326-K892 HydrophobicContact CG-CB 4.08Å | ||
| 327 | Y | 91.1 | Very high | 80.3 | Confident | 22 Ų | 22 | 40.5 Ų | 40.5 | 9% | 0.086 | 23% | 0.226 | C | C | . | . | trans | -158.9 | 161.7 | -172.7 | 58.1 | -82 | 0 | 0 | 0 | 111.1 | M331 S405 L407 P873 C875 | Y327-M331 WeakPolarHBondContact O-CE 3.43Å; Y327-S405 WeakPolarHBondContact CA-OG 3.28Å; Y327-S405 WeakPolarHBondContact CB-OG 3.42Å; Y327-L407 HydrophobicContact CD1-CD1 4.36Å; Y327-L407 HydrophobicContact CD1-CD2 3.46Å; Y327-L407 VanDerWaalsContact CD1-CD2 3.46Å; Y327-L407 HydrophobicContact CD1-CG 3.55Å; Y327-L407 HydrophobicContact CE1-CD1 3.57Å; Y327-L407 HydrophobicContact CE1-CD2 3.43Å; Y327-L407 VanDerWaalsContact CE1-CD2 3.43Å; Y327-L407 HydrophobicContact CE1-CG 3.26Å; Y327-L407 HydrophobicContact CE2-CG 4.3Å; Y327-L407 HydrophobicContact CG-CD2 4.42Å; Y327-L407 HydrophobicContact CG-CG 4.22Å; Y327-P873 WeakPolarHBondContact CE2-O 3.39Å; Y327-P873 VanDerWaalsContact OH-CD 3.29Å; Y327-P873 WeakPolarHBondContact OH-CD 3.48Å; Y327-P873 VanDerWaalsContact OH-CG 3.3Å; Y327-P873 WeakPolarHBondContact OH-CG 3.35Å; Y327-P873 PolarHBondContact OH-O 2.91Å; Y327-C875 HydrophobicContact CD1-CB 4.05Å; Y327-C875 HydrophobicContact CD2-CB 4Å; Y327-C875 HydrophobicContact CE1-CB 3.8Å; Y327-C875 HydrophobicContact CE2-CB 3.8Å; Y327-C875 HydrophobicContact CG-CB 4.13Å; Y327-C875 WeakPolarHBondContact O-CB 2.95Å | ||
| 328 | G | 91.6 | Very high | 80.6 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 11% | 0.113 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 114.1 | -168.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G330 M331 S405 | G328-G330 PolarHBondContact O-N 3.3Å; G328-M331 PolarHBondContact O-N 3.23Å; G328-S405 PolarHBondContact N-OG 3.44Å; G328-S405 WeakPolarHBondContact O-CB 3.42Å |
| 329 | P | 92.4 | Very high | 81.2 | Confident | 28 Ų | 28 | 43.6 Ų | 43.6 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 135.5 | 178.3 | -29 | 37.3 | 0 | 0 | 0 | 112.6 | M331 C400 A858 K859 | P329-M331 PolarHBondContact O-N 3.33Å; P329-C400 WeakPolarHBondContact CA-O 3.39Å; P329-C400 WeakPolarHBondContact CB-O 3.23Å; P329-A858 CarbonylContact C-O 3.51Å; P329-A858 VanDerWaalsContact O-O 3.04Å; P329-K859 VanDerWaalsContact CB-C 3.49Å; P329-K859 WeakPolarHBondContact CB-O 3.31Å; P329-K859 WeakPolarHBondContact CG-O 3.38Å |
| 330 | G | 93.5 | Very high | 82.5 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 6% | 0.062 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | -4.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | G328 L399 C400 A858 | G328-G330 PolarHBondContact O-N 3.3Å; G330-L399 WeakPolarHBondContact CA-O 3.34Å; G330-L399 PolarHBondContact N-O 2.79Å; G330-C400 PolarHBondContact N-O 3.05Å; G330-A858 PolarHBondContact N-O 2.96Å |
| 331 | M | 94.7 | Very high | 84 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 5% | 0.054 | 21% | 0.205 | C | C | . | . | trans | -115.1 | 44.6 | -179 | -66.2 | 176.1 | -76.8 | 0 | 0 | 110.5 | R326 Y327 G328 P329 S405 L857 I883 V890 | R326-M331 HydrophobicContact CB-SD 3.92Å; Y327-M331 WeakPolarHBondContact O-CE 3.43Å; G328-M331 PolarHBondContact O-N 3.23Å; P329-M331 PolarHBondContact O-N 3.33Å; M331-S405 PolarHBondContact O-OG 3.47Å; M331-L857 HydrophobicContact CG-CD1 4Å; M331-I883 HydrophobicContact SD-CD1 4.5Å; M331-V890 HydrophobicContact CB-CG1 4.09Å | ||
| 332 | T | 94.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -100.8 | 124.3 | -179.2 | -55.5 | 0 | 0 | 0 | 0 | 109.9 | Q348 L399 H404 S405 I427 | T332-Q348 PolarHBondContact O-NE2 2.69Å; T332-L399 HydrophobicContact CG2-CD2 4.33Å; T332-L399 VanDerWaalsContact O-CD2 3.3Å; T332-L399 WeakPolarHBondContact O-CD2 3.45Å; T332-L399 PolarHBondContact OG1-O 2.92Å; T332-H404 HydrophobicContact CG2-CB 3.75Å; T332-S405 WeakPolarHBondContact OG1-CB 3.19Å; T332-I427 HydrophobicContact CG2-CD1 3.67Å; T332-I427 HydrophobicContact CG2-CG1 3.95Å | ||
| 333 | G | 92.6 | Very high | 86.9 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | trans | -76.9 | 158.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G426 I427 D887 | G333-G426 CarbonylContact O-C 3.54Å; G333-G426 WeakPolarHBondContact O-CA 3.45Å; G333-I427 PolarHBondContact O-N 3.18Å; G333-D887 CarbonylContact C-O 3.58Å; G333-D887 VanDerWaalsContact CA-O 3.25Å; G333-D887 WeakPolarHBondContact CA-O 3.5Å | ||
| 334 | L | 92.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -113.6 | 119.7 | 175.2 | -71.9 | 169.2 | 0 | 0 | 0 | 109.6 | N336 N344 L347 Q348 L395 L399 I427 P429 D887 E888 | L334-N336 PolarHBondContact O-N 3.06Å; L334-N344 HydrophobicContact CB-CB 3.98Å; L334-N344 HydrophobicContact CD1-CB 4.11Å; L334-N344 PolarHBondContact O-ND2 3.34Å; L334-L347 HydrophobicContact CD1-CB 3.85Å; L334-L347 HydrophobicContact CD1-CD1 4.07Å; L334-Q348 HydrophobicContact CD1-CG 4.33Å; L334-L395 HydrophobicContact CD2-CD1 3.71Å; L334-L399 HydrophobicContact CD1-CD1 4.45Å; L334-L399 HydrophobicContact CD1-CD2 4.31Å; L334-L399 HydrophobicContact CD2-CD2 3.95Å; L334-L399 HydrophobicContact CG-CD2 3.9Å; L334-I427 HydrophobicContact CD2-CB 3.91Å; L334-I427 HydrophobicContact CD2-CG2 3.86Å; L334-P429 HydrophobicContact CD2-CB 4.46Å; L334-P429 HydrophobicContact CD2-CG 4.3Å; L334-D887 PolarHBondContact N-O 3.43Å; L334-D887 CarbonylContact O-C 3.37Å; L334-D887 WeakPolarHBondContact O-CA 3.45Å; L334-D887 VanDerWaalsContact O-CB 3.25Å; L334-D887 WeakPolarHBondContact O-CB 3.43Å; L334-E888 PolarHBondContact O-N 3.34Å |
| 335 | R | 82.9 | Confident | 88.2 | Confident | 46 Ų | 46 | 17.9 Ų | 17.9 | 17% | 0.174 | 11% | 0.11 | C | C | . | . | trans | -63.9 | 133.9 | 179 | -62.3 | -162.5 | -168.2 | 167.4 | 10.2 | 110.4 | L337 N344 L424 P425 I427 R428 E888 | R335-L337 PolarHBondContact O-N 2.92Å; R335-N344 PolarHBondContact O-ND2 2.84Å; R335-L424 PolarHBondContact NH2-O 2.99Å; R335-P425 PolarHBondContact NE-O 2.98Å; R335-P425 PolarHBondContact NH2-O 3.39Å; R335-I427 PolarHBondContact N-O 2.65Å; R335-R428 HydrophobicContact CB-CG 4.04Å; R335-R428 HydrophobicContact CG-CG 4.1Å; R335-E888 HydrophobicContact CG-CB 4.03Å | ||
| 336 | N | 76.4 | Confident | 88.6 | Confident | 53 Ų | 53 | 15.6 Ų | 15.6 | 28% | 0.283 | 9% | 0.091 | S | C | . | . | trans | -65.7 | 128.7 | 170.5 | -157 | -39.6 | 0 | 0 | 0 | 110 | L334 G338 N339 T340 D887 | L334-N336 PolarHBondContact O-N 3.06Å; N336-G338 VanDerWaalsContact C-N 3.33Å; N336-G338 WeakPolarHBondContact OD1-CA 3.29Å; N336-G338 PolarHBondContact OD1-N 2.86Å; N336-N339 PolarHBondContact OD1-N 3.24Å; N336-T340 PolarHBondContact OD1-N 2.98Å; N336-T340 PolarHBondContact OD1-OG1 3.06Å; N336-D887 HydrophobicContact CB-CB 4.22Å; N336-D887 WeakPolarHBondContact CB-OD2 3.35Å; N336-D887 PolarHBondContact ND2-OD2 2.8Å | ||
| 337 | L | 74.7 | Confident | 89 | Confident | 27 Ų | 27 | 14.9 Ų | 14.9 | 14% | 0.141 | 9% | 0.088 | C | C | . | . | trans | -99.6 | 20 | 177.7 | -55.1 | 178.8 | 0 | 0 | 0 | 111.8 | R335 T340 R428 P429 I430 R433 R446 | R335-L337 PolarHBondContact O-N 2.92Å; L337-T340 HydrophobicContact CB-CG2 3.87Å; L337-T340 PolarHBondContact N-OG1 3.43Å; L337-R428 HydrophobicContact CD2-CB 4.5Å; L337-P429 HydrophobicContact CD1-CG 4.04Å; L337-I430 HydrophobicContact CD1-CB 4.44Å; L337-I430 HydrophobicContact CD1-CG1 3.84Å; L337-I430 HydrophobicContact CD2-CG1 3.93Å; L337-R433 HydrophobicContact CD1-CB 4.08Å; L337-R433 HydrophobicContact CD1-CG 4.4Å; L337-R446 PolarHBondContact O-NH1 3.02Å; L337-R446 VanDerWaalsContact O-NH1 3.1Å | ||
| 338 | G | 66.6 | Low | 89.3 | Confident | 31 Ų | 31 | 14.2 Ų | 14.2 | 32% | 0.32 | 9% | 0.086 | S | C | . | . | S | Bend | trans | 89.9 | 111.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | N336 T340 | N336-G338 VanDerWaalsContact C-N 3.33Å; N336-G338 WeakPolarHBondContact OD1-CA 3.29Å; N336-G338 PolarHBondContact OD1-N 2.86Å; G338-T340 WeakPolarHBondContact O-CG2 3.14Å; G338-T340 PolarHBondContact O-N 3.02Å |
| 339 | N | 75.9 | Confident | 89.6 | Confident | 65 Ų | 65 | 13.7 Ų | 13.7 | 35% | 0.348 | 8% | 0.081 | S | C | . | . | S | Bend | trans | 52.3 | 30.7 | -177.4 | -61.7 | -20.8 | 0 | 0 | 0 | 113.9 | N336 Y342 R446 Q448 | N336-N339 PolarHBondContact OD1-N 3.24Å; N339-Y342 WeakPolarHBondContact O-CD1 3.34Å; N339-Y342 WeakPolarHBondContact O-CE1 3.19Å; N339-R446 VanDerWaalsContact CB-O 3.32Å; N339-R446 WeakPolarHBondContact CB-O 3.24Å; N339-R446 PolarHBondContact ND2-O 3.04Å; N339-Q448 VanDerWaalsContact CA-OE1 3.32Å; N339-Q448 HydrophobicContact CB-CB 4.37Å; N339-Q448 PolarHBondContact O-OE1 2.72Å |
| 340 | T | 83.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -104.6 | 10.6 | -179.8 | 64.4 | 0 | 0 | 0 | 0 | 114.4 | N336 L337 G338 Y342 M343 N344 | N336-T340 PolarHBondContact OD1-N 2.98Å; N336-T340 PolarHBondContact OD1-OG1 3.06Å; L337-T340 HydrophobicContact CB-CG2 3.87Å; L337-T340 PolarHBondContact N-OG1 3.43Å; G338-T340 WeakPolarHBondContact O-CG2 3.14Å; G338-T340 PolarHBondContact O-N 3.02Å; T340-Y342 PolarHBondContact O-N 3.44Å; T340-M343 HydrophobicContact CG2-CE 4.45Å; T340-M343 WeakPolarHBondContact O-CB 3.26Å; T340-M343 PolarHBondContact O-N 2.79Å; T340-M343 VanDerWaalsContact O-N 3.14Å; T340-N344 PolarHBondContact O-N 2.7Å | ||
| 341 | C | 89.2 | Confident | 90.1 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.007 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.3 | -30.3 | -178.3 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | M343 N344 A345 Q448 H847 Y848 | C341-M343 VanDerWaalsContact C-N 3.34Å; C341-M343 PolarHBondContact O-N 2.93Å; C341-N344 PolarHBondContact O-N 2.83Å; C341-A345 WeakPolarHBondContact O-CB 3.46Å; C341-A345 PolarHBondContact O-N 3.05Å; C341-Q448 PolarHBondContact SG-NE2 3.1Å; C341-H847 WeakPolarHBondContact CB-CE1 2.96Å; C341-H847 WeakPolarHBondContact CB-ND1 3.3Å; C341-H847 PolarHBondContact SG-ND1 3.22Å; C341-Y848 PolarHBondContact SG-N 3.24Å; C341-Y848 VanDerWaalsContact SG-N 3.38Å |
| 342 | Y | 92.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 12 Ų | 12 | 0% | 0.004 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57 | -48.1 | 172.5 | 69.5 | -96.8 | 0 | 0 | 0 | 111.3 | N339 T340 V346 F443 Q449 F454 Y848 | N339-Y342 WeakPolarHBondContact O-CD1 3.34Å; N339-Y342 WeakPolarHBondContact O-CE1 3.19Å; T340-Y342 PolarHBondContact O-N 3.44Å; Y342-V346 WeakPolarHBondContact O-CG2 3.32Å; Y342-V346 PolarHBondContact O-N 2.83Å; Y342-F443 HydrophobicContact CE2-CD1 4.17Å; Y342-F443 HydrophobicContact CE2-CE1 4.33Å; Y342-Q449 WeakPolarHBondContact CB-O 3.35Å; Y342-Q449 HydrophobicContact CD1-CB 4.01Å; Y342-Q449 HydrophobicContact CD2-CB 4.15Å; Y342-Q449 HydrophobicContact CE1-CB 3.69Å; Y342-Q449 HydrophobicContact CE1-CG 3.87Å; Y342-Q449 HydrophobicContact CE2-CB 3.93Å; Y342-Q449 HydrophobicContact CE2-CG 4.41Å; Y342-Q449 HydrophobicContact CG-CB 4.23Å; Y342-F454 HydrophobicContact CD2-CB 3.76Å; Y342-F454 HydrophobicContact CD2-CD1 4.19Å; Y342-F454 HydrophobicContact CD2-CD2 4.35Å; Y342-F454 AromaticContact CD2-CG 3.82Å; Y342-F454 HydrophobicContact CD2-CG 3.82Å; Y342-F454 HydrophobicContact CE2-CB 3.95Å; Y342-F454 HydrophobicContact CE2-CD1 4.35Å; Y342-F454 AromaticContact CE2-CD2 3.78Å; Y342-F454 HydrophobicContact CE2-CD2 3.78Å; Y342-F454 HydrophobicContact CE2-CE2 4.44Å; Y342-F454 AromaticContact CE2-CG 3.73Å; Y342-F454 HydrophobicContact CE2-CG 3.73Å; Y342-Y848 VanDerWaalsContact CA-CD2 3.48Å; Y342-Y848 VanDerWaalsContact CB-CD2 3.46Å |
| 343 | M | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.5 | -47.6 | 178.2 | 173.3 | -173.8 | 81.3 | 0 | 0 | 109.9 | T340 C341 A345 V346 L347 P429 F432 R433 F454 | T340-M343 HydrophobicContact CG2-CE 4.45Å; T340-M343 WeakPolarHBondContact O-CB 3.26Å; T340-M343 PolarHBondContact O-N 2.79Å; T340-M343 VanDerWaalsContact O-N 3.14Å; C341-M343 VanDerWaalsContact C-N 3.34Å; C341-M343 PolarHBondContact O-N 2.93Å; M343-A345 PolarHBondContact O-N 3.44Å; M343-V346 PolarHBondContact O-N 2.72Å; M343-L347 HydrophobicContact CE-CD1 4.32Å; M343-L347 HydrophobicContact CG-CD1 3.57Å; M343-L347 HydrophobicContact CG-CG 4.17Å; M343-L347 WeakPolarHBondContact O-CB 3.44Å; M343-L347 WeakPolarHBondContact O-CG 3.34Å; M343-L347 PolarHBondContact O-N 3.23Å; M343-L347 HydrophobicContact SD-CD1 4.3Å; M343-P429 HydrophobicContact CE-CB 4.21Å; M343-P429 HydrophobicContact CE-CG 3.66Å; M343-F432 HydrophobicContact CG-CE1 4.36Å; M343-F432 HydrophobicContact SD-CD1 3.94Å; M343-F432 HydrophobicContact SD-CE1 3.96Å; M343-R433 HydrophobicContact CE-CB 4.3Å; M343-R433 HydrophobicContact SD-CB 4.4Å; M343-F454 HydrophobicContact CB-CD1 4.26Å; M343-F454 HydrophobicContact CB-CE1 3.85Å; M343-F454 HydrophobicContact CB-CZ 4.02Å; M343-F454 HydrophobicContact CG-CE1 3.64Å; M343-F454 HydrophobicContact CG-CE2 4.31Å; M343-F454 HydrophobicContact CG-CZ 3.52Å; M343-F454 HydrophobicContact SD-CZ 4.28Å |
| 344 | N | 95.5 | Very high | 90.3 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 2% | 0.016 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.1 | -47.4 | -179.3 | -70.2 | -14.2 | 0 | 0 | 0 | 111.4 | L334 R335 T340 C341 V346 L347 Q348 D887 | L334-N344 HydrophobicContact CB-CB 3.98Å; L334-N344 HydrophobicContact CD1-CB 4.11Å; L334-N344 PolarHBondContact O-ND2 3.34Å; R335-N344 PolarHBondContact O-ND2 2.84Å; T340-N344 PolarHBondContact O-N 2.7Å; C341-N344 PolarHBondContact O-N 2.83Å; N344-V346 PolarHBondContact O-N 3.32Å; N344-L347 PolarHBondContact O-N 3.36Å; N344-Q348 VanDerWaalsContact O-CG 3.25Å; N344-Q348 WeakPolarHBondContact O-CG 3.5Å; N344-Q348 PolarHBondContact O-N 3.43Å; N344-D887 PolarHBondContact ND2-OD1 3.04Å |
| 345 | A | 96.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 13 Ų | 13 | 3% | 0.025 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C341 M343 Q348 V349 I836 A850 | C341-A345 WeakPolarHBondContact O-CB 3.46Å; C341-A345 PolarHBondContact O-N 3.05Å; M343-A345 PolarHBondContact O-N 3.44Å; A345-Q348 PolarHBondContact O-N 2.93Å; A345-V349 WeakPolarHBondContact O-CG2 3.28Å; A345-V349 PolarHBondContact O-N 3.38Å; A345-I836 HydrophobicContact CB-CD1 3.97Å; A345-I836 HydrophobicContact CB-CG1 4.19Å; A345-I836 HydrophobicContact CB-CG2 3.83Å; A345-A850 HydrophobicContact CB-CB 4.15Å |
| 346 | V | 98.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 176.1 | 166.9 | 0 | 0 | 0 | 0 | 111.6 | Y342 M343 N344 Q348 V349 L350 A451 F454 L455 L458 I836 | Y342-V346 WeakPolarHBondContact O-CG2 3.32Å; Y342-V346 PolarHBondContact O-N 2.83Å; M343-V346 PolarHBondContact O-N 2.72Å; N344-V346 PolarHBondContact O-N 3.32Å; V346-Q348 PolarHBondContact O-N 2.95Å; V346-V349 PolarHBondContact O-N 3.48Å; V346-L350 HydrophobicContact CG1-CD1 3.96Å; V346-L350 HydrophobicContact CG1-CG 4.3Å; V346-L350 WeakPolarHBondContact O-CG 3.21Å; V346-L350 PolarHBondContact O-N 2.95Å; V346-A451 HydrophobicContact CG2-CB 4.05Å; V346-A451 WeakPolarHBondContact CG2-O 3.33Å; V346-F454 HydrophobicContact CB-CD1 4Å; V346-F454 HydrophobicContact CB-CE1 4.22Å; V346-F454 HydrophobicContact CG1-CD1 3.96Å; V346-F454 HydrophobicContact CG1-CE1 4.03Å; V346-F454 HydrophobicContact CG2-CD1 4.14Å; V346-L455 HydrophobicContact CG1-CB 4.05Å; V346-L455 HydrophobicContact CG1-CD1 3.86Å; V346-L455 HydrophobicContact CG1-CG 4.5Å; V346-L455 HydrophobicContact CG2-CB 4.15Å; V346-L458 HydrophobicContact CG1-CD2 4.44Å; V346-I836 HydrophobicContact CG2-CD1 4.09Å |
| 347 | L | 98.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | -179.4 | -68 | 169.7 | 0 | 0 | 0 | 112.2 | L334 M343 N344 V349 L350 F351 F392 L395 F432 L458 | L334-L347 HydrophobicContact CD1-CB 3.85Å; L334-L347 HydrophobicContact CD1-CD1 4.07Å; M343-L347 HydrophobicContact CE-CD1 4.32Å; M343-L347 HydrophobicContact CG-CD1 3.57Å; M343-L347 HydrophobicContact CG-CG 4.17Å; M343-L347 WeakPolarHBondContact O-CB 3.44Å; M343-L347 WeakPolarHBondContact O-CG 3.34Å; M343-L347 PolarHBondContact O-N 3.23Å; M343-L347 HydrophobicContact SD-CD1 4.3Å; N344-L347 PolarHBondContact O-N 3.36Å; L347-V349 VanDerWaalsContact C-N 3.31Å; L347-V349 PolarHBondContact O-N 2.92Å; L347-L350 PolarHBondContact O-N 3.14Å; L347-F351 WeakPolarHBondContact O-CD2 3.43Å; L347-F351 PolarHBondContact O-N 2.9Å; L347-F392 HydrophobicContact CD2-CD2 4.35Å; L347-F392 HydrophobicContact CD2-CE2 3.66Å; L347-L395 HydrophobicContact CB-CD2 4.29Å; L347-L395 HydrophobicContact CD1-CD2 3.56Å; L347-L395 HydrophobicContact CD2-CD2 3.52Å; L347-L395 HydrophobicContact CG-CD2 3.94Å; L347-F432 HydrophobicContact CD1-CD1 4.26Å; L347-F432 HydrophobicContact CD1-CE1 4.04Å; L347-F432 HydrophobicContact CD2-CE1 3.96Å; L347-F432 HydrophobicContact CD2-CZ 4.15Å; L347-L458 HydrophobicContact CD2-CD2 4.04Å |
| 348 | Q | 97.9 | Very high | 92.7 | Very high | 9 Ų | 9 | 8.8 Ų | 8.8 | 4% | 0.042 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59.2 | -44 | 175.8 | -67.4 | -67.8 | 7.1 | 0 | 0 | 111.3 | T332 L334 N344 A345 V346 S352 A850 I852 F885 | T332-Q348 PolarHBondContact O-NE2 2.69Å; L334-Q348 HydrophobicContact CD1-CG 4.33Å; N344-Q348 VanDerWaalsContact O-CG 3.25Å; N344-Q348 WeakPolarHBondContact O-CG 3.5Å; N344-Q348 PolarHBondContact O-N 3.43Å; A345-Q348 PolarHBondContact O-N 2.93Å; V346-Q348 PolarHBondContact O-N 2.95Å; Q348-S352 PolarHBondContact O-N 2.85Å; Q348-A850 HydrophobicContact CB-CB 4.31Å; Q348-I852 HydrophobicContact CB-CD1 3.97Å; Q348-I852 WeakPolarHBondContact O-CD1 3.43Å; Q348-F885 HydrophobicContact CB-CG 4.41Å; Q348-F885 HydrophobicContact CG-CB 3.99Å; Q348-F885 HydrophobicContact CG-CD1 4.01Å; Q348-F885 HydrophobicContact CG-CG 4.06Å |
| 349 | V | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -68.6 | -44.7 | 178.9 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | A345 V346 L347 F351 S352 A834 I836 A850 I852 F905 | A345-V349 WeakPolarHBondContact O-CG2 3.28Å; A345-V349 PolarHBondContact O-N 3.38Å; V346-V349 PolarHBondContact O-N 3.48Å; L347-V349 VanDerWaalsContact C-N 3.31Å; L347-V349 PolarHBondContact O-N 2.92Å; V349-F351 VanDerWaalsContact C-N 3.31Å; V349-F351 PolarHBondContact O-N 2.65Å; V349-S352 WeakPolarHBondContact O-CB 3.42Å; V349-S352 PolarHBondContact O-N 3.43Å; V349-S352 PolarHBondContact O-OG 3.29Å; V349-A834 HydrophobicContact CG1-CB 4.11Å; V349-A834 HydrophobicContact CG2-CB 4.14Å; V349-I836 HydrophobicContact CG2-CD1 3.93Å; V349-I836 HydrophobicContact CG2-CG1 3.84Å; V349-A850 HydrophobicContact CG2-CB 4.13Å; V349-I852 HydrophobicContact CG2-CD1 4.2Å; V349-I852 HydrophobicContact CG2-CG1 4.44Å; V349-F905 HydrophobicContact CB-CE2 4.4Å; V349-F905 HydrophobicContact CB-CZ 4.43Å; V349-F905 HydrophobicContact CG1-CB 4.2Å; V349-F905 HydrophobicContact CG1-CD1 3.54Å; V349-F905 HydrophobicContact CG1-CD2 3.68Å; V349-F905 HydrophobicContact CG1-CE1 3.68Å; V349-F905 HydrophobicContact CG1-CE2 3.83Å; V349-F905 HydrophobicContact CG1-CG 3.53Å; V349-F905 HydrophobicContact CG1-CZ 3.82Å; V349-F905 HydrophobicContact CG2-CD2 4.37Å; V349-F905 HydrophobicContact CG2-CE2 4.24Å |
| 350 | L | 98.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.005 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -58 | -42 | 179.9 | -72.5 | 178.2 | 0 | 0 | 0 | 112.3 | V346 L347 S352 I353 F356 F392 L455 L458 L459 M480 | V346-L350 HydrophobicContact CG1-CD1 3.96Å; V346-L350 HydrophobicContact CG1-CG 4.3Å; V346-L350 WeakPolarHBondContact O-CG 3.21Å; V346-L350 PolarHBondContact O-N 2.95Å; L347-L350 PolarHBondContact O-N 3.14Å; L350-S352 VanDerWaalsContact C-N 3.26Å; L350-S352 PolarHBondContact O-N 3.29Å; L350-I353 WeakPolarHBondContact O-CB 3.38Å; L350-I353 PolarHBondContact O-N 3.4Å; L350-I353 VanDerWaalsContact O-N 3.13Å; L350-F356 HydrophobicContact CB-CD1 4.49Å; L350-F356 HydrophobicContact CD2-CE1 4.19Å; L350-F356 HydrophobicContact CD2-CE2 4.14Å; L350-F356 HydrophobicContact CD2-CZ 3.91Å; L350-F356 VanDerWaalsContact O-CB 3.29Å; L350-F356 WeakPolarHBondContact O-CB 3.38Å; L350-F392 HydrophobicContact CD1-CZ 4.22Å; L350-L455 HydrophobicContact CD1-CD1 4.17Å; L350-L455 HydrophobicContact CD2-CD1 3.86Å; L350-L455 HydrophobicContact CG-CD1 4.23Å; L350-L458 HydrophobicContact CD1-CD2 3.68Å; L350-L459 HydrophobicContact CD2-CD2 4.17Å; L350-M480 HydrophobicContact CD2-SD 4.4Å |
| 351 | F | 97.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 5.7 Ų | 5.7 | 3% | 0.031 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -2.5 | 177.6 | -73 | -67.6 | 0 | 0 | 0 | 114.9 | L347 V349 I353 R357 A361 F392 L395 L399 | L347-F351 WeakPolarHBondContact O-CD2 3.43Å; L347-F351 PolarHBondContact O-N 2.9Å; V349-F351 VanDerWaalsContact C-N 3.31Å; V349-F351 PolarHBondContact O-N 2.65Å; F351-I353 VanDerWaalsContact C-N 3.31Å; F351-R357 WeakPolarHBondContact O-CD 3.24Å; F351-R357 WeakPolarHBondContact O-CG 3.3Å; F351-R357 PolarHBondContact O-NH1 2.87Å; F351-A361 HydrophobicContact CD1-CB 4.41Å; F351-A361 HydrophobicContact CE1-CB 4.39Å; F351-F392 HydrophobicContact CE1-CE1 4.34Å; F351-F392 HydrophobicContact CE2-CD2 4.45Å; F351-F392 HydrophobicContact CE2-CE1 4.33Å; F351-F392 AromaticContact CE2-CE2 3.93Å; F351-F392 HydrophobicContact CE2-CE2 3.93Å; F351-F392 AromaticContact CE2-CZ 3.86Å; F351-F392 HydrophobicContact CE2-CZ 3.86Å; F351-F392 HydrophobicContact CZ-CD1 4.04Å; F351-F392 HydrophobicContact CZ-CD2 4.35Å; F351-F392 AromaticContact CZ-CE1 3.7Å; F351-F392 HydrophobicContact CZ-CE1 3.7Å; F351-F392 HydrophobicContact CZ-CE2 4.05Å; F351-F392 HydrophobicContact CZ-CG 4.36Å; F351-F392 AromaticContact CZ-CZ 3.7Å; F351-F392 HydrophobicContact CZ-CZ 3.7Å; F351-F392 WeakPolarHBondContact CZ-O 3.43Å; F351-L395 HydrophobicContact CE2-CD2 4.05Å; F351-L395 HydrophobicContact CE2-CG 4.25Å; F351-L399 HydrophobicContact CB-CD1 4.31Å; F351-L399 HydrophobicContact CD2-CD1 3.5Å; F351-L399 HydrophobicContact CE2-CD1 4.2Å; F351-L399 HydrophobicContact CG-CD1 4.17Å |
| 352 | S | 96.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.007 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -9.4 | 164.3 | 73.3 | 0 | 0 | 0 | 0 | 113.2 | Q348 V349 L350 F833 F856 | Q348-S352 PolarHBondContact O-N 2.85Å; V349-S352 WeakPolarHBondContact O-CB 3.42Å; V349-S352 PolarHBondContact O-N 3.43Å; V349-S352 PolarHBondContact O-OG 3.29Å; L350-S352 VanDerWaalsContact C-N 3.26Å; L350-S352 PolarHBondContact O-N 3.29Å; S352-F833 WeakPolarHBondContact OG-CE2 3.5Å; S352-F856 CarbonylContact C-O 3.17Å; S352-F856 WeakPolarHBondContact CA-O 3.43Å |
| 353 | I | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -88.7 | 121.5 | 172.3 | -59.4 | 173.5 | 0 | 0 | 0 | 109.1 | L350 F351 Q355 F356 R357 V479 M480 Y592 F833 | L350-I353 WeakPolarHBondContact O-CB 3.38Å; L350-I353 PolarHBondContact O-N 3.4Å; L350-I353 VanDerWaalsContact O-N 3.13Å; F351-I353 VanDerWaalsContact C-N 3.31Å; I353-Q355 VanDerWaalsContact C-N 3.28Å; I353-Q355 VanDerWaalsContact CG2-OE1 3.28Å; I353-Q355 PolarHBondContact O-N 2.87Å; I353-F356 HydrophobicContact CB-CD2 3.92Å; I353-F356 HydrophobicContact CD1-CD2 4.31Å; I353-F356 HydrophobicContact CD1-CE2 4.36Å; I353-F356 HydrophobicContact CG2-CD2 3.86Å; I353-F356 PolarHBondContact O-N 2.72Å; I353-F356 VanDerWaalsContact O-N 3.11Å; I353-R357 PolarHBondContact O-N 3.29Å; I353-V479 HydrophobicContact CG2-CG2 4.16Å; I353-M480 HydrophobicContact CD1-CE 4.45Å; I353-M480 HydrophobicContact CD1-CG 4.28Å; I353-M480 HydrophobicContact CD1-SD 3.61Å; I353-Y592 HydrophobicContact CD1-CG 4.48Å; I353-Y592 HydrophobicContact CG1-CD1 4.16Å; I353-Y592 HydrophobicContact CG1-CE1 4.24Å; I353-Y592 HydrophobicContact CG2-CD2 3.99Å; I353-Y592 HydrophobicContact CG2-CE1 4.28Å; I353-Y592 HydrophobicContact CG2-CE2 3.72Å; I353-Y592 HydrophobicContact CG2-CG 4.36Å; I353-F833 HydrophobicContact CG1-CE2 4.38Å; I353-F833 HydrophobicContact CG1-CZ 4.06Å |
| 354 | S | 94.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.007 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56.6 | -37.4 | -173.9 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | F356 R357 S358 | S354-F356 PolarHBondContact O-N 2.86Å; S354-R357 WeakPolarHBondContact O-CB 3.49Å; S354-R357 PolarHBondContact O-N 2.67Å; S354-R357 VanDerWaalsContact O-N 3.15Å; S354-S358 PolarHBondContact O-N 2.87Å; S354-S358 PolarHBondContact O-OG 2.76Å |
| 355 | Q | 93.2 | Very high | 95.7 | Very high | 24 Ų | 24 | 14.6 Ų | 14.6 | 11% | 0.112 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68 | -33.3 | -179.4 | -64 | 81.1 | 8.6 | 0 | 0 | 112.9 | I353 Y359 P476 V479 Y592 | I353-Q355 VanDerWaalsContact C-N 3.28Å; I353-Q355 VanDerWaalsContact CG2-OE1 3.28Å; I353-Q355 PolarHBondContact O-N 2.87Å; Q355-Y359 WeakPolarHBondContact O-CB 3.46Å; Q355-Y359 PolarHBondContact O-N 3.18Å; Q355-P476 HydrophobicContact CB-CB 4.09Å; Q355-V479 HydrophobicContact CB-CG1 4.23Å; Q355-V479 HydrophobicContact CG-CG1 3.85Å; Q355-Y592 VanDerWaalsContact OE1-CE2 3.24Å |
| 356 | F | 95.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.9 | -38.5 | 172.3 | -81.5 | -93.2 | 0 | 0 | 0 | 111.2 | L350 I353 S354 Y360 F392 L459 P476 M480 | L350-F356 HydrophobicContact CB-CD1 4.49Å; L350-F356 HydrophobicContact CD2-CE1 4.19Å; L350-F356 HydrophobicContact CD2-CE2 4.14Å; L350-F356 HydrophobicContact CD2-CZ 3.91Å; L350-F356 VanDerWaalsContact O-CB 3.29Å; L350-F356 WeakPolarHBondContact O-CB 3.38Å; I353-F356 HydrophobicContact CB-CD2 3.92Å; I353-F356 HydrophobicContact CD1-CD2 4.31Å; I353-F356 HydrophobicContact CD1-CE2 4.36Å; I353-F356 HydrophobicContact CG2-CD2 3.86Å; I353-F356 PolarHBondContact O-N 2.72Å; I353-F356 VanDerWaalsContact O-N 3.11Å; S354-F356 PolarHBondContact O-N 2.86Å; F356-Y360 HydrophobicContact CD1-CD2 4.22Å; F356-Y360 HydrophobicContact CD1-CE2 4.28Å; F356-Y360 WeakPolarHBondContact O-CB 3.5Å; F356-Y360 PolarHBondContact O-N 3.46Å; F356-F392 HydrophobicContact CD1-CE1 4.01Å; F356-F392 HydrophobicContact CD1-CZ 4.3Å; F356-F392 HydrophobicContact CE1-CE1 4.43Å; F356-L459 HydrophobicContact CE1-CD2 4.15Å; F356-L459 HydrophobicContact CZ-CD2 3.65Å; F356-P476 HydrophobicContact CD1-CB 4.34Å; F356-P476 HydrophobicContact CD1-CG 4.08Å; F356-P476 HydrophobicContact CD2-CB 4.02Å; F356-P476 HydrophobicContact CE1-CB 4.44Å; F356-P476 HydrophobicContact CE1-CG 4.11Å; F356-P476 HydrophobicContact CE2-CB 4.12Å; F356-P476 HydrophobicContact CG-CB 4.13Å; F356-P476 HydrophobicContact CG-CG 4.35Å; F356-P476 HydrophobicContact CZ-CB 4.32Å; F356-P476 HydrophobicContact CZ-CG 4.39Å; F356-M480 HydrophobicContact CE2-SD 4.16Å |
| 357 | R | 95.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 18.1 Ų | 18.1 | 2% | 0.023 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.3 | -51.8 | 173.4 | -62.6 | -159.9 | -71.3 | -101.5 | 5.2 | 112 | F351 I353 S354 Y359 Y360 A361 Y362 C400 F856 D916 | F351-R357 WeakPolarHBondContact O-CD 3.24Å; F351-R357 WeakPolarHBondContact O-CG 3.3Å; F351-R357 PolarHBondContact O-NH1 2.87Å; I353-R357 PolarHBondContact O-N 3.29Å; S354-R357 WeakPolarHBondContact O-CB 3.49Å; S354-R357 PolarHBondContact O-N 2.67Å; S354-R357 VanDerWaalsContact O-N 3.15Å; R357-Y359 VanDerWaalsContact C-N 3.26Å; R357-Y359 PolarHBondContact O-N 3.16Å; R357-Y360 PolarHBondContact O-N 2.82Å; R357-A361 HydrophobicContact CB-CB 4.34Å; R357-A361 WeakPolarHBondContact O-CA 3.46Å; R357-A361 WeakPolarHBondContact O-CB 3.33Å; R357-A361 PolarHBondContact O-N 3.22Å; R357-Y362 HydrophobicContact CB-CD1 4.5Å; R357-Y362 HydrophobicContact CB-CD2 4.33Å; R357-Y362 HydrophobicContact CB-CE1 4.05Å; R357-Y362 HydrophobicContact CB-CE2 3.83Å; R357-Y362 WeakPolarHBondContact CD-OH 3.25Å; R357-Y362 PolarHBondContact NE-OH 2.97Å; R357-Y362 VanDerWaalsContact NE-OH 3.15Å; R357-Y362 PolarHBondContact O-N 3.31Å; R357-C400 WeakPolarHBondContact CD-SG 3.24Å; R357-F856 PolarHBondContact NH1-O 3.21Å; R357-D916 IonicContact CZ-OD2 3.6Å; R357-D916 IonicContact NE-OD1 2.77Å; R357-D916 IonicContact NE-OD2 2.67Å; R357-D916 IonicContact NH2-OD1 3.99Å; R357-D916 PolarHBondContact NH2-OD1 2.92Å; R357-D916 IonicContact NH2-OD2 3.82Å; R357-D916 PolarHBondContact NH2-OD2 3.36Å |
| 358 | S | 93.2 | Very high | 95.2 | Very high | 30 Ų | 30 | 18.4 Ų | 18.4 | 21% | 0.21 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.8 | -32.5 | -178.9 | -64.3 | 0 | 0 | 0 | 0 | 113.5 | S354 Q363 Q914 | S354-S358 PolarHBondContact O-N 2.87Å; S354-S358 PolarHBondContact O-OG 2.76Å; S358-Q363 WeakPolarHBondContact O-CG 3.08Å; S358-Q363 PolarHBondContact O-NE2 2.96Å; S358-Q914 PolarHBondContact OG-OE1 2.75Å |
| 359 | Y | 92.8 | Very high | 95 | Very high | 29 Ų | 29 | 22.4 Ų | 22.4 | 11% | 0.114 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -85.8 | -36.9 | -179.8 | -166.6 | -90 | 0 | 0 | 0 | 113.1 | Q355 R357 Q363 W367 K473 P476 | Q355-Y359 WeakPolarHBondContact O-CB 3.46Å; Q355-Y359 PolarHBondContact O-N 3.18Å; R357-Y359 VanDerWaalsContact C-N 3.26Å; R357-Y359 PolarHBondContact O-N 3.16Å; Y359-Q363 WeakPolarHBondContact O-CB 3.34Å; Y359-Q363 WeakPolarHBondContact O-CG 3.06Å; Y359-W367 HydrophobicContact CD1-CZ2 4.16Å; Y359-W367 HydrophobicContact CE1-CH2 4.32Å; Y359-W367 AromaticContact CE1-CZ2 3.63Å; Y359-W367 HydrophobicContact CE1-CZ2 3.63Å; Y359-W367 PolarHBondContact O-NE1 2.68Å; Y359-W367 VanDerWaalsContact O-NE1 3.1Å; Y359-K473 HydrophobicContact CE2-CB 3.91Å; Y359-K473 HydrophobicContact CE2-CD 4.16Å; Y359-P476 HydrophobicContact CD1-CG 4.02Å; Y359-P476 HydrophobicContact CG-CG 3.97Å |
| 360 | Y | 94.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -66.6 | -175.2 | -70.8 | -71.2 | 0 | 0 | 0 | 112.7 | F356 R357 Y362 Q363 L364 W367 F392 S393 H475 P476 | F356-Y360 HydrophobicContact CD1-CD2 4.22Å; F356-Y360 HydrophobicContact CD1-CE2 4.28Å; F356-Y360 WeakPolarHBondContact O-CB 3.5Å; F356-Y360 PolarHBondContact O-N 3.46Å; R357-Y360 PolarHBondContact O-N 2.82Å; Y360-Y362 PolarHBondContact O-N 2.8Å; Y360-Q363 PolarHBondContact O-N 3.18Å; Y360-Q363 VanDerWaalsContact O-N 3.17Å; Y360-L364 PolarHBondContact O-N 2.91Å; Y360-W367 AromaticContact CD1-CE2 3.8Å; Y360-W367 AromaticContact CD1-CZ2 3.75Å; Y360-W367 HydrophobicContact CD1-CZ2 3.75Å; Y360-W367 AromaticContact CD1-NE1 3.75Å; Y360-W367 AromaticContact CE1-CE2 3.97Å; Y360-W367 HydrophobicContact CE1-CH2 4.06Å; Y360-W367 AromaticContact CE1-CZ2 3.45Å; Y360-W367 HydrophobicContact CE1-CZ2 3.45Å; Y360-W367 VanDerWaalsContact CE1-CZ2 3.45Å; Y360-F392 AromaticContact CD1-CD1 3.7Å; Y360-F392 HydrophobicContact CD1-CD1 3.7Å; Y360-F392 HydrophobicContact CD1-CE1 4.49Å; Y360-F392 AromaticContact CD2-CD1 3.56Å; Y360-F392 HydrophobicContact CD2-CD1 3.56Å; Y360-F392 AromaticContact CD2-CE1 3.5Å; Y360-F392 HydrophobicContact CD2-CE1 3.5Å; Y360-F392 AromaticContact CE1-CD1 3.81Å; Y360-F392 HydrophobicContact CE1-CD1 3.81Å; Y360-F392 AromaticContact CE2-CD1 3.66Å; Y360-F392 HydrophobicContact CE2-CD1 3.66Å; Y360-F392 AromaticContact CE2-CE1 3.63Å; Y360-F392 HydrophobicContact CE2-CE1 3.63Å; Y360-F392 AromaticContact CG-CD1 3.56Å; Y360-F392 HydrophobicContact CG-CD1 3.56Å; Y360-F392 AromaticContact CG-CE1 3.95Å; Y360-F392 HydrophobicContact CG-CE1 3.95Å; Y360-F392 AromaticContact CZ-CD1 3.79Å; Y360-S393 WeakPolarHBondContact O-CB 3.26Å; Y360-S393 PolarHBondContact O-OG 2.84Å; Y360-H475 PolarHBondContact OH-NE2 3.19Å; Y360-H475 VanDerWaalsContact OH-NE2 3.16Å; Y360-P476 HydrophobicContact CD2-CG 4.25Å; Y360-P476 HydrophobicContact CE2-CG 3.75Å |
| 361 | A | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -58.6 | -44.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F351 R357 Q363 G396 H397 C400 | F351-A361 HydrophobicContact CD1-CB 4.41Å; F351-A361 HydrophobicContact CE1-CB 4.39Å; R357-A361 HydrophobicContact CB-CB 4.34Å; R357-A361 WeakPolarHBondContact O-CA 3.46Å; R357-A361 WeakPolarHBondContact O-CB 3.33Å; R357-A361 PolarHBondContact O-N 3.22Å; A361-Q363 VanDerWaalsContact C-N 3.31Å; A361-G396 WeakPolarHBondContact CB-O 3.22Å; A361-H397 PolarHBondContact O-CD2 3.22Å; A361-C400 HydrophobicContact CB-CB 4.36Å |
| 362 | Y | 94.5 | Very high | 94.3 | Very high | 29 Ų | 29 | 23.2 Ų | 23.2 | 11% | 0.114 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -81.2 | -13.7 | -176.9 | -56.1 | -17.9 | 0 | 0 | 0 | 112.8 | R357 Y360 C400 C860 I861 P862 D916 | R357-Y362 HydrophobicContact CB-CD1 4.5Å; R357-Y362 HydrophobicContact CB-CD2 4.33Å; R357-Y362 HydrophobicContact CB-CE1 4.05Å; R357-Y362 HydrophobicContact CB-CE2 3.83Å; R357-Y362 WeakPolarHBondContact CD-OH 3.25Å; R357-Y362 PolarHBondContact NE-OH 2.97Å; R357-Y362 VanDerWaalsContact NE-OH 3.15Å; R357-Y362 PolarHBondContact O-N 3.31Å; Y360-Y362 PolarHBondContact O-N 2.8Å; Y362-C400 HydrophobicContact CE1-CB 4.48Å; Y362-C860 PolarHBondContact OH-O 2.63Å; Y362-I861 HydrophobicContact CD1-CD1 3.73Å; Y362-I861 HydrophobicContact CD1-CG2 4.12Å; Y362-I861 HydrophobicContact CE1-CD1 3.83Å; Y362-P862 VanDerWaalsContact CD1-CD 3.41Å; Y362-P862 HydrophobicContact CD1-CG 4.38Å; Y362-P862 HydrophobicContact CD2-CG 3.75Å; Y362-P862 VanDerWaalsContact CE1-CD 3.42Å; Y362-P862 HydrophobicContact CE1-CG 4.39Å; Y362-P862 HydrophobicContact CE2-CG 3.8Å; Y362-P862 HydrophobicContact CG-CG 4.07Å; Y362-D916 PolarHBondContact OH-OD1 3.45Å |
| 363 | Q | 93.4 | Very high | 94.1 | Very high | 68 Ų | 68 | 26.8 Ų | 26.8 | 32% | 0.318 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -103.6 | 15.2 | -178.9 | -56.1 | -61.1 | -38.2 | 0 | 0 | 112.5 | S358 Y359 Y360 A361 P365 V366 W367 | S358-Q363 WeakPolarHBondContact O-CG 3.08Å; S358-Q363 PolarHBondContact O-NE2 2.96Å; Y359-Q363 WeakPolarHBondContact O-CB 3.34Å; Y359-Q363 WeakPolarHBondContact O-CG 3.06Å; Y360-Q363 PolarHBondContact O-N 3.18Å; Y360-Q363 VanDerWaalsContact O-N 3.17Å; A361-Q363 VanDerWaalsContact C-N 3.31Å; Q363-P365 VanDerWaalsContact C-CD 3.4Å; Q363-P365 VanDerWaalsContact C-N 3.27Å; Q363-P365 VanDerWaalsContact O-N 3.17Å; Q363-V366 HydrophobicContact CB-CB 4.4Å; Q363-V366 WeakPolarHBondContact O-CA 3.18Å; Q363-V366 WeakPolarHBondContact O-CB 3.28Å; Q363-V366 PolarHBondContact O-N 3.08Å; Q363-W367 VanDerWaalsContact O-CD1 3.25Å; Q363-W367 PolarHBondContact O-N 3.07Å |
| 364 | L | 95.3 | Very high | 93.8 | Very high | 19 Ų | 19 | 29.2 Ų | 29.2 | 10% | 0.099 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -48.5 | -42.9 | 179.2 | 178.9 | 62.9 | 0 | 0 | 0 | 113.5 | Y360 V366 W367 C368 L390 S393 K394 H397 | Y360-L364 PolarHBondContact O-N 2.91Å; L364-V366 VanDerWaalsContact C-N 3.32Å; L364-V366 PolarHBondContact O-N 2.75Å; L364-W367 PolarHBondContact O-N 2.97Å; L364-C368 PolarHBondContact O-N 2.89Å; L364-C368 PolarHBondContact O-SG 2.81Å; L364-L390 HydrophobicContact CD1-CD1 4.01Å; L364-S393 WeakPolarHBondContact CA-OG 3.26Å; L364-S393 PolarHBondContact N-OG 2.9Å; L364-K394 HydrophobicContact CD1-CB 4.21Å; L364-H397 HydrophobicContact CB-CB 4.15Å; L364-H397 HydrophobicContact CD2-CB 3.66Å; L364-H397 VanDerWaalsContact CD2-CG 3.49Å; L364-H397 HydrophobicContact CG-CB 4.44Å |
| 365 | P | 94.3 | Very high | 93.8 | Very high | 76 Ų | 76 | 30 Ų | 30 | 49% | 0.494 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -58.3 | -40.9 | 175.6 | -26 | 36.2 | 0 | 0 | 0 | 113.7 | Q363 C368 E369 | Q363-P365 VanDerWaalsContact C-CD 3.4Å; Q363-P365 VanDerWaalsContact C-N 3.27Å; Q363-P365 VanDerWaalsContact O-N 3.17Å; P365-C368 WeakPolarHBondContact O-CB 3.41Å; P365-C368 PolarHBondContact O-N 3.39Å; P365-E369 PolarHBondContact O-N 3.33Å |
| 366 | V | 92.9 | Very high | 93.7 | Very high | 66 Ų | 66 | 31.9 Ų | 31.9 | 40% | 0.4 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.7 | -46.5 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | Q363 L364 C368 E369 E370 | Q363-V366 HydrophobicContact CB-CB 4.4Å; Q363-V366 WeakPolarHBondContact O-CA 3.18Å; Q363-V366 WeakPolarHBondContact O-CB 3.28Å; Q363-V366 PolarHBondContact O-N 3.08Å; L364-V366 VanDerWaalsContact C-N 3.32Å; L364-V366 PolarHBondContact O-N 2.75Å; V366-C368 VanDerWaalsContact C-N 3.25Å; V366-C368 PolarHBondContact O-N 3.2Å; V366-E369 PolarHBondContact O-N 3.44Å; V366-E370 WeakPolarHBondContact O-CB 3.44Å; V366-E370 PolarHBondContact O-N 2.59Å |
| 367 | W | 93.7 | Very high | 93.5 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 5% | 0.045 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -30.8 | 176.3 | -72.7 | 107.4 | 0 | 0 | 0 | 112.9 | Y359 Y360 Q363 L364 E370 A371 H387 L390 S393 | Y359-W367 HydrophobicContact CD1-CZ2 4.16Å; Y359-W367 HydrophobicContact CE1-CH2 4.32Å; Y359-W367 AromaticContact CE1-CZ2 3.63Å; Y359-W367 HydrophobicContact CE1-CZ2 3.63Å; Y359-W367 PolarHBondContact O-NE1 2.68Å; Y359-W367 VanDerWaalsContact O-NE1 3.1Å; Y360-W367 AromaticContact CD1-CE2 3.8Å; Y360-W367 AromaticContact CD1-CZ2 3.75Å; Y360-W367 HydrophobicContact CD1-CZ2 3.75Å; Y360-W367 AromaticContact CD1-NE1 3.75Å; Y360-W367 AromaticContact CE1-CE2 3.97Å; Y360-W367 HydrophobicContact CE1-CH2 4.06Å; Y360-W367 AromaticContact CE1-CZ2 3.45Å; Y360-W367 HydrophobicContact CE1-CZ2 3.45Å; Y360-W367 VanDerWaalsContact CE1-CZ2 3.45Å; Q363-W367 VanDerWaalsContact O-CD1 3.25Å; Q363-W367 PolarHBondContact O-N 3.07Å; L364-W367 PolarHBondContact O-N 2.97Å; W367-E370 WeakPolarHBondContact CZ3-OE2 3.47Å; W367-A371 VanDerWaalsContact O-CB 3.26Å; W367-A371 WeakPolarHBondContact O-CB 3.07Å; W367-A371 PolarHBondContact O-N 3.11Å; W367-H387 AromaticContact CE3-CE1 3.77Å; W367-H387 AromaticContact CZ3-CE1 3.86Å; W367-L390 HydrophobicContact CB-CD1 4.29Å; W367-S393 VanDerWaalsContact CD1-OG 3.26Å |
| 368 | C | 95.2 | Very high | 93 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.5 | -46.4 | 173.5 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | F29 L57 L364 P365 V366 L372 | F29-C368 HydrophobicContact CD1-CB 3.94Å; F29-C368 HydrophobicContact CE1-CB 4.37Å; L57-C368 HydrophobicContact CD2-CB 4.29Å; L364-C368 PolarHBondContact O-N 2.89Å; L364-C368 PolarHBondContact O-SG 2.81Å; P365-C368 WeakPolarHBondContact O-CB 3.41Å; P365-C368 PolarHBondContact O-N 3.39Å; V366-C368 VanDerWaalsContact C-N 3.25Å; V366-C368 PolarHBondContact O-N 3.2Å; C368-L372 WeakPolarHBondContact O-CB 3.38Å; C368-L372 WeakPolarHBondContact O-CD1 3.45Å; C368-L372 VanDerWaalsContact O-CG 3.28Å; C368-L372 WeakPolarHBondContact O-CG 3.36Å; C368-L372 PolarHBondContact O-N 3.14Å; C368-L372 VanDerWaalsContact O-N 3.14Å |
| 369 | E | 93.8 | Very high | 92.1 | Very high | 94 Ų | 94 | 49.4 Ų | 49.4 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 177.3 | -72.6 | -174.3 | -172.5 | 0 | 0 | 111.5 | L57 P365 V366 A371 L372 D373 | L57-E369 HydrophobicContact CD2-CG 4.42Å; P365-E369 PolarHBondContact O-N 3.33Å; V366-E369 PolarHBondContact O-N 3.44Å; E369-A371 PolarHBondContact O-N 2.95Å; E369-L372 PolarHBondContact O-N 3.07Å; E369-L372 VanDerWaalsContact O-N 3.16Å; E369-D373 VanDerWaalsContact O-CG 3.31Å; E369-D373 PolarHBondContact O-N 2.9Å |
| 370 | E | 90.5 | Very high | 91.2 | Very high | 23 Ų | 23 | 55 Ų | 55 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -48 | 179 | -174.9 | -170.6 | 160.8 | 0 | 0 | 112.2 | V366 W367 L372 D373 Q374 H387 Q469 H471 | V366-E370 WeakPolarHBondContact O-CB 3.44Å; V366-E370 PolarHBondContact O-N 2.59Å; W367-E370 WeakPolarHBondContact CZ3-OE2 3.47Å; E370-L372 PolarHBondContact O-N 3.06Å; E370-D373 PolarHBondContact O-N 2.82Å; E370-D373 VanDerWaalsContact O-N 3.16Å; E370-Q374 PolarHBondContact O-N 3.5Å; E370-Q374 PolarHBondContact OE1-NE2 3.3Å; E370-H387 IonicContact OE1-NE2 3.58Å; E370-Q469 PolarHBondContact OE1-NE2 2.81Å; E370-Q469 PolarHBondContact OE1-OE1 3.42Å; E370-H471 IonicContact OE1-CE1 2.65Å; E370-H471 PolarHBondContact OE1-CE1 3.19Å; E370-H471 IonicContact OE2-CE1 3.25Å; E370-H471 PolarHBondContact OE2-CE1 2.96Å; E370-H471 IonicContact OE2-NE2 3.05Å |
| 371 | A | 93.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.2 | -33.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W367 E369 F375 H387 L390 | W367-A371 VanDerWaalsContact O-CB 3.26Å; W367-A371 WeakPolarHBondContact O-CB 3.07Å; W367-A371 PolarHBondContact O-N 3.11Å; E369-A371 PolarHBondContact O-N 2.95Å; A371-F375 WeakPolarHBondContact O-CB 3.49Å; A371-F375 PolarHBondContact O-N 3.5Å; A371-H387 HydrophobicContact CB-CB 4.15Å; A371-L390 HydrophobicContact CB-CB 4.15Å; A371-L390 HydrophobicContact CB-CD2 3.64Å; A371-L390 HydrophobicContact CB-CG 4.4Å |
| 372 | L | 95.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -73 | -36.9 | 175 | -74.1 | 169.3 | 0 | 0 | 0 | 112.5 | F29 L57 Y58 K61 T62 C368 E369 E370 F375 T376 | F29-L372 HydrophobicContact CE1-CD1 4.42Å; F29-L372 HydrophobicContact CE1-CD2 4.44Å; F29-L372 HydrophobicContact CE1-CG 4.08Å; F29-L372 HydrophobicContact CZ-CD1 4.31Å; F29-L372 HydrophobicContact CZ-CD2 3.74Å; F29-L372 HydrophobicContact CZ-CG 3.89Å; L57-L372 HydrophobicContact CD2-CD1 4.02Å; L57-L372 HydrophobicContact CG-CD1 3.8Å; Y58-L372 HydrophobicContact CD2-CD2 3.67Å; Y58-L372 HydrophobicContact CE2-CD2 4.1Å; K61-L372 HydrophobicContact CB-CB 4.1Å; K61-L372 HydrophobicContact CB-CD1 4.24Å; K61-L372 HydrophobicContact CD-CB 4.49Å; K61-L372 HydrophobicContact CG-CB 4.05Å; K61-L372 HydrophobicContact CG-CD1 4Å; T62-L372 HydrophobicContact CG2-CD2 4.27Å; C368-L372 WeakPolarHBondContact O-CB 3.38Å; C368-L372 WeakPolarHBondContact O-CD1 3.45Å; C368-L372 VanDerWaalsContact O-CG 3.28Å; C368-L372 WeakPolarHBondContact O-CG 3.36Å; C368-L372 PolarHBondContact O-N 3.14Å; C368-L372 VanDerWaalsContact O-N 3.14Å; E369-L372 PolarHBondContact O-N 3.07Å; E369-L372 VanDerWaalsContact O-N 3.16Å; E370-L372 PolarHBondContact O-N 3.06Å; L372-F375 PolarHBondContact O-N 3.23Å; L372-T376 WeakPolarHBondContact O-CB 3.49Å; L372-T376 WeakPolarHBondContact O-CG2 3.35Å; L372-T376 PolarHBondContact O-N 3.27Å; L372-T376 PolarHBondContact O-OG1 2.83Å |
| 373 | D | 92.1 | Very high | 90.2 | Very high | 76 Ų | 76 | 62.3 Ų | 62.3 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 176.7 | -70.8 | -19.6 | 0 | 0 | 0 | 111 | K61 E369 E370 T376 S377 | K61-D373 IonicContact NZ-OD1 3.16Å; K61-D373 PolarHBondContact NZ-OD1 3.45Å; K61-D373 IonicContact NZ-OD2 3.65Å; K61-D373 PolarHBondContact NZ-OD2 3.35Å; E369-D373 VanDerWaalsContact O-CG 3.31Å; E369-D373 PolarHBondContact O-N 2.9Å; E370-D373 PolarHBondContact O-N 2.82Å; E370-D373 VanDerWaalsContact O-N 3.16Å; D373-T376 PolarHBondContact O-N 3.32Å; D373-T376 PolarHBondContact O-OG1 3.18Å; D373-S377 WeakPolarHBondContact O-CB 3.46Å; D373-S377 PolarHBondContact O-N 3.43Å |
| 374 | Q | 91 | Very high | 90.2 | Very high | 50 Ų | 50 | 59.1 Ų | 59.1 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 172.3 | -70.4 | -179.6 | 32.7 | 0 | 0 | 111.8 | E370 T376 S377 H387 | E370-Q374 PolarHBondContact O-N 3.5Å; E370-Q374 PolarHBondContact OE1-NE2 3.3Å; Q374-T376 VanDerWaalsContact C-N 3.26Å; Q374-T376 PolarHBondContact O-N 2.72Å; Q374-S377 WeakPolarHBondContact O-CB 3.44Å; Q374-S377 PolarHBondContact O-N 2.67Å; Q374-S377 PolarHBondContact O-OG 2.87Å; Q374-H387 PolarHBondContact NE2-NE2 3.46Å; Q374-H387 PolarHBondContact OE1-CD2 2.92Å; Q374-H387 PolarHBondContact OE1-NE2 3.04Å |
| 375 | F | 93.9 | Very high | 90.1 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.9 | -31.9 | 178 | 177.5 | -123.5 | 0 | 0 | 0 | 113.1 | H46 Y58 T62 A371 L372 P381 L382 L383 P384 | H46-F375 HydrophobicContact CB-CZ 4.01Å; H46-F375 AromaticContact CD2-CZ 3.63Å; H46-F375 AromaticContact CE1-CE1 3.8Å; H46-F375 AromaticContact CE1-CZ 3.85Å; H46-F375 AromaticContact CG-CZ 3.55Å; H46-F375 AromaticContact ND1-CE1 3.74Å; H46-F375 AromaticContact ND1-CZ 3.71Å; H46-F375 AromaticContact NE2-CZ 3.87Å; Y58-F375 HydrophobicContact CE2-CE1 4.36Å; T62-F375 HydrophobicContact CG2-CD1 4.03Å; T62-F375 HydrophobicContact CG2-CE1 3.91Å; A371-F375 WeakPolarHBondContact O-CB 3.49Å; A371-F375 PolarHBondContact O-N 3.5Å; L372-F375 PolarHBondContact O-N 3.23Å; F375-P381 HydrophobicContact CD2-CB 4.44Å; F375-P381 VanDerWaalsContact O-CB 3.3Å; F375-P381 WeakPolarHBondContact O-CB 3.32Å; F375-L382 WeakPolarHBondContact CA-O 3.43Å; F375-L382 WeakPolarHBondContact CB-O 3.34Å; F375-L382 WeakPolarHBondContact CD2-O 3.43Å; F375-L383 HydrophobicContact CD2-CD2 4.29Å; F375-L383 HydrophobicContact CE2-CD2 3.61Å; F375-L383 HydrophobicContact CZ-CD2 4.25Å; F375-P384 HydrophobicContact CB-CG 4.37Å; F375-P384 HydrophobicContact CD1-CG 4.41Å; F375-P384 HydrophobicContact CG-CG 4.26Å |
| 376 | T | 92.1 | Very high | 90 | Very high | 64 Ų | 64 | 56.5 Ų | 56.5 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -95.2 | -2.1 | -179.7 | 55 | 0 | 0 | 0 | 0 | 113.8 | T62 L372 D373 Q374 | T62-T376 HydrophobicContact CG2-CG2 4.03Å; L372-T376 WeakPolarHBondContact O-CB 3.49Å; L372-T376 WeakPolarHBondContact O-CG2 3.35Å; L372-T376 PolarHBondContact O-N 3.27Å; L372-T376 PolarHBondContact O-OG1 2.83Å; D373-T376 PolarHBondContact O-N 3.32Å; D373-T376 PolarHBondContact O-OG1 3.18Å; Q374-T376 VanDerWaalsContact C-N 3.26Å; Q374-T376 PolarHBondContact O-N 2.72Å |
| 377 | S | 90 | Very high | 90 | Very high | 52 Ų | 52 | 53.5 Ų | 53.5 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | trans | -70.5 | 152.7 | 177.8 | 76.5 | 0 | 0 | 0 | 0 | 112.9 | D373 Q374 | D373-S377 WeakPolarHBondContact O-CB 3.46Å; D373-S377 PolarHBondContact O-N 3.43Å; Q374-S377 WeakPolarHBondContact O-CB 3.44Å; Q374-S377 PolarHBondContact O-N 2.67Å; Q374-S377 PolarHBondContact O-OG 2.87Å | ||
| 378 | E | 84.8 | Confident | 90 | Very high | 192 Ų | 192 | 53.4 Ų | 53.4 | 90% | 0.897 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -76.5 | -28.6 | -177.6 | -63.6 | -178.3 | 172.6 | 0 | 0 | 113.5 | ||
| 379 | N | 75.7 | Confident | 89.9 | Confident | 160 Ų | 160 | 53.3 Ų | 53.3 | 86% | 0.856 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -83.7 | -29.2 | -164.3 | -72.5 | -23.6 | 0 | 0 | 0 | 114.2 | ||
| 380 | H | 73.8 | Confident | 90 | Very high | 146 Ų | 146 | 48.8 Ų | 48.8 | 68% | 0.676 | 26% | 0.258 | S | S | * | . | trans | -172.2 | 93.3 | 173 | -165.9 | -71.8 | 0 | 0 | 0 | 110.6 | L382 | H380-L382 PolarHBondContact O-N 2.98Š| ||
| 381 | P | 83.1 | Confident | 90.2 | Very high | 78 Ų | 78 | 47.9 Ų | 47.9 | 51% | 0.506 | 25% | 0.254 | S | S | . | . | trans | -67.2 | 111.3 | -177.4 | 27.2 | -34.1 | 0 | 0 | 0 | 110.8 | F375 | F375-P381 HydrophobicContact CD2-CB 4.44Å; F375-P381 VanDerWaalsContact O-CB 3.3Å; F375-P381 WeakPolarHBondContact O-CB 3.32Å | ||
| 382 | L | 88.6 | Confident | 90.4 | Very high | 54 Ų | 54 | 47.9 Ų | 47.9 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | trans | -88.6 | 124 | 172.4 | -176.5 | 62.7 | 0 | 0 | 0 | 109.4 | F375 H380 D386 H387 | F375-L382 WeakPolarHBondContact CA-O 3.43Å; F375-L382 WeakPolarHBondContact CB-O 3.34Å; F375-L382 WeakPolarHBondContact CD2-O 3.43Å; H380-L382 PolarHBondContact O-N 2.98Å; L382-D386 HydrophobicContact CD1-CB 3.71Å; L382-D386 HydrophobicContact CG-CB 4.41Å; L382-H387 HydrophobicContact CD2-CB 4.22Å | ||
| 383 | L | 91.5 | Very high | 90.5 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 27% | 0.272 | 25% | 0.253 | S | S | . | . | trans | -63.2 | 141.3 | 176.6 | -73 | 169.1 | 0 | 0 | 0 | 110.2 | F23 V48 F375 V385 D386 H387 | F23-L383 HydrophobicContact CE2-CD1 4.44Å; V48-L383 HydrophobicContact CG2-CD2 4.14Å; F375-L383 HydrophobicContact CD2-CD2 4.29Å; F375-L383 HydrophobicContact CE2-CD2 3.61Å; F375-L383 HydrophobicContact CZ-CD2 4.25Å; L383-V385 HydrophobicContact CB-CG2 3.8Å; L383-V385 HydrophobicContact CD1-CG2 4.36Å; L383-V385 PolarHBondContact O-N 2.82Å; L383-V385 VanDerWaalsContact O-N 3.09Å; L383-D386 WeakPolarHBondContact O-CA 3.37Å; L383-D386 PolarHBondContact O-N 3.03Å; L383-H387 PolarHBondContact O-N 2.72Å | ||
| 384 | P | 94.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -57.7 | -27.2 | 177.8 | -28.5 | 35.9 | 0 | 0 | 0 | 114.5 | P28 F29 F375 D386 H387 L390 Q391 | P28-P384 HydrophobicContact CB-CB 3.88Å; P28-P384 HydrophobicContact CG-CB 3.87Å; F29-P384 HydrophobicContact CE1-CB 4.05Å; F29-P384 HydrophobicContact CE1-CG 4.49Å; F29-P384 HydrophobicContact CE2-CB 4.24Å; F29-P384 HydrophobicContact CE2-CG 4.46Å; F29-P384 HydrophobicContact CZ-CB 3.61Å; F29-P384 HydrophobicContact CZ-CG 3.75Å; F375-P384 HydrophobicContact CB-CG 4.37Å; F375-P384 HydrophobicContact CD1-CG 4.41Å; F375-P384 HydrophobicContact CG-CG 4.26Å; P384-D386 PolarHBondContact O-N 2.63Å; P384-H387 PolarHBondContact O-N 2.78Å; P384-L390 HydrophobicContact CB-CD2 4Å; P384-Q391 PolarHBondContact O-NE2 3.22Å |
| 385 | V | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -67.4 | -22.8 | 174.1 | -66.9 | 0 | 0 | 0 | 0 | 113 | F23 P28 V48 L383 L431 | F23-V385 HydrophobicContact CB-CG1 4.46Å; F23-V385 HydrophobicContact CD1-CG1 4.16Å; F23-V385 HydrophobicContact CD1-CG2 4.4Å; F23-V385 HydrophobicContact CD2-CG2 4.22Å; F23-V385 HydrophobicContact CE1-CB 4.45Å; F23-V385 HydrophobicContact CE1-CG2 4.09Å; F23-V385 HydrophobicContact CE2-CG2 3.89Å; F23-V385 HydrophobicContact CG-CG1 4.15Å; F23-V385 HydrophobicContact CG-CG2 4.46Å; F23-V385 HydrophobicContact CZ-CG2 3.81Å; P28-V385 HydrophobicContact CB-CG1 3.86Å; P28-V385 HydrophobicContact CG-CG1 4.28Å; V48-V385 HydrophobicContact CG1-CG1 4.1Å; L383-V385 HydrophobicContact CB-CG2 3.8Å; L383-V385 HydrophobicContact CD1-CG2 4.36Å; L383-V385 PolarHBondContact O-N 2.82Å; L383-V385 VanDerWaalsContact O-N 3.09Å; V385-L431 HydrophobicContact CB-CD2 4.41Å; V385-L431 HydrophobicContact CG1-CD1 4.28Å; V385-L431 HydrophobicContact CG1-CD2 4.28Å |
| 386 | D | 91.9 | Very high | 91.2 | Very high | 41 Ų | 41 | 41.1 Ų | 41.1 | 22% | 0.219 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -101.7 | -0.5 | -178.5 | -59.8 | -44.7 | 0 | 0 | 0 | 112.3 | L382 L383 P384 I388 R434 L435 | L382-D386 HydrophobicContact CD1-CB 3.71Å; L382-D386 HydrophobicContact CG-CB 4.41Å; L383-D386 WeakPolarHBondContact O-CA 3.37Å; L383-D386 PolarHBondContact O-N 3.03Å; P384-D386 PolarHBondContact O-N 2.63Å; D386-I388 PolarHBondContact O-N 2.75Å; D386-R434 IonicContact OD1-CZ 3.64Å; D386-R434 IonicContact OD1-NH1 3.89Å; D386-R434 PolarHBondContact OD1-NH1 2.9Å; D386-R434 IonicContact OD1-NH2 3.8Å; D386-R434 PolarHBondContact OD1-NH2 3.07Å; D386-L435 HydrophobicContact CB-CD2 4.33Å |
| 387 | H | 93.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | trans | -82.9 | 101 | 178.9 | -169.2 | -79.8 | 0 | 0 | 0 | 111.3 | W367 E370 A371 Q374 L382 L383 P384 G389 L390 Q391 Q469 | W367-H387 AromaticContact CE3-CE1 3.77Å; W367-H387 AromaticContact CZ3-CE1 3.86Å; E370-H387 IonicContact OE1-NE2 3.58Å; A371-H387 HydrophobicContact CB-CB 4.15Å; Q374-H387 PolarHBondContact NE2-NE2 3.46Å; Q374-H387 PolarHBondContact OE1-CD2 2.92Å; Q374-H387 PolarHBondContact OE1-NE2 3.04Å; L382-H387 HydrophobicContact CD2-CB 4.22Å; L383-H387 PolarHBondContact O-N 2.72Å; P384-H387 PolarHBondContact O-N 2.78Å; H387-G389 PolarHBondContact O-N 3.42Å; H387-L390 HydrophobicContact CB-CB 4Å; H387-L390 WeakPolarHBondContact ND1-CB 3.44Å; H387-L390 PolarHBondContact ND1-N 3Å; H387-L390 WeakPolarHBondContact O-CB 3.36Å; H387-L390 PolarHBondContact O-N 2.83Å; H387-L390 VanDerWaalsContact O-N 3.11Å; H387-Q391 PolarHBondContact O-N 3.31Å; H387-Q469 PolarHBondContact NE2-NE2 2.83Å | ||
| 388 | I | 92.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.046 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.1 | -44.1 | -173 | -175.4 | 57.4 | 0 | 0 | 0 | 114.2 | D386 L390 Q391 F392 F432 L435 M436 L461 L462 K465 | D386-I388 PolarHBondContact O-N 2.75Å; I388-L390 PolarHBondContact O-N 3.38Å; I388-Q391 PolarHBondContact O-N 2.99Å; I388-F392 WeakPolarHBondContact O-CB 3.44Å; I388-F392 PolarHBondContact O-N 3.31Å; I388-F432 HydrophobicContact CD1-CD2 4.16Å; I388-F432 HydrophobicContact CD1-CE2 3.84Å; I388-L435 HydrophobicContact CB-CD1 4.38Å; I388-L435 HydrophobicContact CD1-CB 4.35Å; I388-L435 HydrophobicContact CD1-CD1 4.09Å; I388-M436 HydrophobicContact CD1-CE 3.3Å; I388-M436 HydrophobicContact CG1-CE 4.38Å; I388-L461 HydrophobicContact CG1-CD2 4.48Å; I388-L462 HydrophobicContact CG1-CD2 4.16Å; I388-K465 HydrophobicContact CG2-CB 3.99Å; I388-K465 HydrophobicContact CG2-CD 4.26Å; I388-K465 HydrophobicContact CG2-CG 3.86Å |
| 389 | G | 93.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.8 | -33 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H387 S393 | H387-G389 PolarHBondContact O-N 3.42Å; G389-S393 WeakPolarHBondContact O-CB 3.25Å; G389-S393 PolarHBondContact O-N 2.87Å |
| 390 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -72.3 | -47.4 | 176.6 | 170.5 | 64.5 | 0 | 0 | 0 | 110.1 | F29 L364 W367 A371 P384 H387 I388 F392 S393 K394 | F29-L390 HydrophobicContact CD1-CD1 3.9Å; F29-L390 HydrophobicContact CD1-CD2 3.58Å; F29-L390 HydrophobicContact CD1-CG 4.37Å; F29-L390 HydrophobicContact CE1-CD2 3.57Å; F29-L390 HydrophobicContact CZ-CD2 4.49Å; L364-L390 HydrophobicContact CD1-CD1 4.01Å; W367-L390 HydrophobicContact CB-CD1 4.29Å; A371-L390 HydrophobicContact CB-CB 4.15Å; A371-L390 HydrophobicContact CB-CD2 3.64Å; A371-L390 HydrophobicContact CB-CG 4.4Å; P384-L390 HydrophobicContact CB-CD2 4Å; H387-L390 HydrophobicContact CB-CB 4Å; H387-L390 WeakPolarHBondContact ND1-CB 3.44Å; H387-L390 PolarHBondContact ND1-N 3Å; H387-L390 WeakPolarHBondContact O-CB 3.36Å; H387-L390 PolarHBondContact O-N 2.83Å; H387-L390 VanDerWaalsContact O-N 3.11Å; I388-L390 PolarHBondContact O-N 3.38Å; L390-F392 VanDerWaalsContact C-N 3.29Å; L390-F392 PolarHBondContact O-N 3.4Å; L390-S393 PolarHBondContact O-N 3.17Å; L390-K394 VanDerWaalsContact O-CB 3.27Å; L390-K394 WeakPolarHBondContact O-CB 2.84Å; L390-K394 PolarHBondContact O-N 3.18Å |
| 391 | Q | 96.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.019 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 179.4 | -64.3 | -47.4 | -50.4 | 0 | 0 | 111.7 | P28 P384 H387 I388 L395 F432 L435 | P28-Q391 PolarHBondContact O-NE2 3.5Å; P384-Q391 PolarHBondContact O-NE2 3.22Å; H387-Q391 PolarHBondContact O-N 3.31Å; I388-Q391 PolarHBondContact O-N 2.99Å; Q391-L395 WeakPolarHBondContact O-CB 3.27Å; Q391-L395 PolarHBondContact O-N 3.48Å; Q391-L395 VanDerWaalsContact O-N 3.08Å; Q391-F432 HydrophobicContact CB-CD2 4.37Å; Q391-L435 HydrophobicContact CB-CD1 3.92Å; Q391-L435 HydrophobicContact CG-CD1 3.5Å; Q391-L435 VanDerWaalsContact CG-CD1 3.5Å |
| 392 | F | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -71.2 | -39.9 | 175.2 | -164.7 | -112.2 | 0 | 0 | 0 | 112.5 | L347 L350 F351 F356 Y360 I388 L390 L395 G396 F432 L458 L462 | L347-F392 HydrophobicContact CD2-CD2 4.35Å; L347-F392 HydrophobicContact CD2-CE2 3.66Å; L350-F392 HydrophobicContact CD1-CZ 4.22Å; F351-F392 HydrophobicContact CE1-CE1 4.34Å; F351-F392 HydrophobicContact CE2-CD2 4.45Å; F351-F392 HydrophobicContact CE2-CE1 4.33Å; F351-F392 AromaticContact CE2-CE2 3.93Å; F351-F392 HydrophobicContact CE2-CE2 3.93Å; F351-F392 AromaticContact CE2-CZ 3.86Å; F351-F392 HydrophobicContact CE2-CZ 3.86Å; F351-F392 HydrophobicContact CZ-CD1 4.04Å; F351-F392 HydrophobicContact CZ-CD2 4.35Å; F351-F392 AromaticContact CZ-CE1 3.7Å; F351-F392 HydrophobicContact CZ-CE1 3.7Å; F351-F392 HydrophobicContact CZ-CE2 4.05Å; F351-F392 HydrophobicContact CZ-CG 4.36Å; F351-F392 AromaticContact CZ-CZ 3.7Å; F351-F392 HydrophobicContact CZ-CZ 3.7Å; F351-F392 WeakPolarHBondContact CZ-O 3.43Å; F356-F392 HydrophobicContact CD1-CE1 4.01Å; F356-F392 HydrophobicContact CD1-CZ 4.3Å; F356-F392 HydrophobicContact CE1-CE1 4.43Å; Y360-F392 AromaticContact CD1-CD1 3.7Å; Y360-F392 HydrophobicContact CD1-CD1 3.7Å; Y360-F392 HydrophobicContact CD1-CE1 4.49Å; Y360-F392 AromaticContact CD2-CD1 3.56Å; Y360-F392 HydrophobicContact CD2-CD1 3.56Å; Y360-F392 AromaticContact CD2-CE1 3.5Å; Y360-F392 HydrophobicContact CD2-CE1 3.5Å; Y360-F392 AromaticContact CE1-CD1 3.81Å; Y360-F392 HydrophobicContact CE1-CD1 3.81Å; Y360-F392 AromaticContact CE2-CD1 3.66Å; Y360-F392 HydrophobicContact CE2-CD1 3.66Å; Y360-F392 AromaticContact CE2-CE1 3.63Å; Y360-F392 HydrophobicContact CE2-CE1 3.63Å; Y360-F392 AromaticContact CG-CD1 3.56Å; Y360-F392 HydrophobicContact CG-CD1 3.56Å; Y360-F392 AromaticContact CG-CE1 3.95Å; Y360-F392 HydrophobicContact CG-CE1 3.95Å; Y360-F392 AromaticContact CZ-CD1 3.79Å; I388-F392 WeakPolarHBondContact O-CB 3.44Å; I388-F392 PolarHBondContact O-N 3.31Å; L390-F392 VanDerWaalsContact C-N 3.29Å; L390-F392 PolarHBondContact O-N 3.4Å; F392-L395 HydrophobicContact CD2-CD2 4.39Å; F392-L395 WeakPolarHBondContact O-CB 3.46Å; F392-L395 PolarHBondContact O-N 3Å; F392-G396 PolarHBondContact O-N 3.45Å; F392-F432 HydrophobicContact CB-CE2 4.29Å; F392-F432 HydrophobicContact CD2-CD2 4.42Å; F392-F432 AromaticContact CD2-CE2 3.64Å; F392-F432 HydrophobicContact CD2-CE2 3.64Å; F392-F432 AromaticContact CD2-CZ 3.95Å; F392-F432 HydrophobicContact CD2-CZ 3.95Å; F392-F432 HydrophobicContact CE2-CZ 4.41Å; F392-F432 HydrophobicContact CG-CE2 4.42Å; F392-L458 HydrophobicContact CE2-CD2 4.11Å; F392-L462 HydrophobicContact CB-CD2 4.21Å; F392-L462 HydrophobicContact CD1-CD1 3.85Å; F392-L462 HydrophobicContact CD1-CD2 4.1Å; F392-L462 HydrophobicContact CD2-CD1 4.33Å; F392-L462 HydrophobicContact CE1-CD1 3.6Å; F392-L462 HydrophobicContact CE2-CD1 4.1Å; F392-L462 HydrophobicContact CG-CD1 4.22Å; F392-L462 HydrophobicContact CG-CD2 4.07Å; F392-L462 HydrophobicContact CZ-CD1 3.73Å |
| 393 | S | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 173.2 | 175.4 | 0 | 0 | 0 | 0 | 112.9 | Y360 L364 W367 G389 L390 L395 G396 H397 | Y360-S393 WeakPolarHBondContact O-CB 3.26Å; Y360-S393 PolarHBondContact O-OG 2.84Å; L364-S393 WeakPolarHBondContact CA-OG 3.26Å; L364-S393 PolarHBondContact N-OG 2.9Å; W367-S393 VanDerWaalsContact CD1-OG 3.26Å; G389-S393 WeakPolarHBondContact O-CB 3.25Å; G389-S393 PolarHBondContact O-N 2.87Å; L390-S393 PolarHBondContact O-N 3.17Å; S393-L395 VanDerWaalsContact C-N 3.3Å; S393-L395 PolarHBondContact O-N 2.81Å; S393-G396 PolarHBondContact O-N 3.45Å; S393-H397 WeakPolarHBondContact O-CB 3.39Å; S393-H397 PolarHBondContact O-N 3Å |
| 394 | K | 97.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 8.3 Ų | 8.3 | 1% | 0.013 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -55.8 | -46.6 | 174.5 | 168.7 | -177 | 155.3 | -174.9 | 0 | 111 | E26 C27 P28 S30 F31 L364 L390 H397 G398 | E26-K394 VanDerWaalsContact CD-NZ 3.31Å; E26-K394 IonicContact OE1-NZ 2.75Å; E26-K394 PolarHBondContact OE1-NZ 3.19Å; C27-K394 PolarHBondContact O-NZ 3.27Å; P28-K394 VanDerWaalsContact O-CD 3.3Å; P28-K394 WeakPolarHBondContact O-CD 3.45Å; S30-K394 WeakPolarHBondContact O-CE 3.49Å; S30-K394 PolarHBondContact O-NZ 3.09Å; F31-K394 VanDerWaalsContact CD1-CE 3.48Å; F31-K394 HydrophobicContact CD2-CG 4.36Å; F31-K394 HydrophobicContact CE2-CG 3.88Å; F31-K394 WeakPolarHBondContact CE2-O 3.34Å; F31-K394 HydrophobicContact CZ-CD 4.41Å; F31-K394 HydrophobicContact CZ-CG 3.95Å; L364-K394 HydrophobicContact CD1-CB 4.21Å; L390-K394 VanDerWaalsContact O-CB 3.27Å; L390-K394 WeakPolarHBondContact O-CB 2.84Å; L390-K394 PolarHBondContact O-N 3.18Å; K394-H397 PolarHBondContact O-N 2.93Å; K394-G398 PolarHBondContact O-N 3.19Å |
| 395 | L | 97.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.9 | -49.5 | 176.1 | 179.7 | 74.2 | 0 | 0 | 0 | 111.5 | F31 L334 L347 F351 Q391 F392 S393 H397 G398 L399 I427 P429 F432 | F31-L395 HydrophobicContact CZ-CD1 4.27Å; L334-L395 HydrophobicContact CD2-CD1 3.71Å; L347-L395 HydrophobicContact CB-CD2 4.29Å; L347-L395 HydrophobicContact CD1-CD2 3.56Å; L347-L395 HydrophobicContact CD2-CD2 3.52Å; L347-L395 HydrophobicContact CG-CD2 3.94Å; F351-L395 HydrophobicContact CE2-CD2 4.05Å; F351-L395 HydrophobicContact CE2-CG 4.25Å; Q391-L395 WeakPolarHBondContact O-CB 3.27Å; Q391-L395 PolarHBondContact O-N 3.48Å; Q391-L395 VanDerWaalsContact O-N 3.08Å; F392-L395 HydrophobicContact CD2-CD2 4.39Å; F392-L395 WeakPolarHBondContact O-CB 3.46Å; F392-L395 PolarHBondContact O-N 3Å; S393-L395 VanDerWaalsContact C-N 3.3Å; S393-L395 PolarHBondContact O-N 2.81Å; L395-H397 PolarHBondContact O-N 3.43Å; L395-G398 PolarHBondContact O-N 2.84Å; L395-L399 HydrophobicContact CG-CD1 4.21Å; L395-L399 WeakPolarHBondContact O-CG 3.27Å; L395-L399 PolarHBondContact O-N 3.01Å; L395-I427 HydrophobicContact CD1-CG2 4.24Å; L395-P429 HydrophobicContact CD1-CB 3.96Å; L395-F432 HydrophobicContact CD2-CD1 4.44Å |
| 396 | G | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | A361 F392 S393 G398 L399 C400 | A361-G396 WeakPolarHBondContact CB-O 3.22Å; F392-G396 PolarHBondContact O-N 3.45Å; S393-G396 PolarHBondContact O-N 3.45Å; G396-G398 VanDerWaalsContact C-N 3.35Å; G396-G398 PolarHBondContact O-N 3.16Å; G396-L399 PolarHBondContact O-N 3.43Å; G396-C400 WeakPolarHBondContact O-CB 3.4Å; G396-C400 PolarHBondContact O-N 2.7Å; G396-C400 PolarHBondContact O-SG 3.44Å |
| 397 | H | 96.9 | Very high | 93.8 | Very high | 30 Ų | 30 | 11.7 Ų | 11.7 | 14% | 0.139 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 176.5 | -177.5 | -79.1 | 0 | 0 | 0 | 111.3 | A361 L364 S393 K394 L395 L399 C400 S401 E864 | A361-H397 PolarHBondContact O-CD2 3.22Å; L364-H397 HydrophobicContact CB-CB 4.15Å; L364-H397 HydrophobicContact CD2-CB 3.66Å; L364-H397 VanDerWaalsContact CD2-CG 3.49Å; L364-H397 HydrophobicContact CG-CB 4.44Å; S393-H397 WeakPolarHBondContact O-CB 3.39Å; S393-H397 PolarHBondContact O-N 3Å; K394-H397 PolarHBondContact O-N 2.93Å; L395-H397 PolarHBondContact O-N 3.43Å; H397-L399 VanDerWaalsContact C-N 3.33Å; H397-L399 PolarHBondContact O-N 3.48Å; H397-C400 PolarHBondContact O-N 3.43Å; H397-S401 WeakPolarHBondContact O-CB 3.35Å; H397-S401 PolarHBondContact O-N 3.43Å; H397-S401 PolarHBondContact O-OG 2.86Å; H397-E864 IonicContact CD2-OE1 3.82Å; H397-E864 IonicContact CE1-OE1 3.56Å; H397-E864 IonicContact CE1-OE2 2.72Å; H397-E864 VanDerWaalsContact NE2-CD 3.35Å; H397-E864 IonicContact NE2-OE1 2.84Å; H397-E864 PolarHBondContact NE2-OE1 3.21Å; H397-E864 IonicContact NE2-OE2 3.07Å; H397-E864 PolarHBondContact NE2-OE2 2.8Å; H397-E864 VanDerWaalsContact NE2-OE2 3.15Å |
| 398 | G | 95.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K394 L395 G396 S401 I427 | K394-G398 PolarHBondContact O-N 3.19Å; L395-G398 PolarHBondContact O-N 2.84Å; G396-G398 VanDerWaalsContact C-N 3.35Å; G396-G398 PolarHBondContact O-N 3.16Å; G398-S401 PolarHBondContact O-OG 3.47Å; G398-I427 VanDerWaalsContact CA-CD1 3.46Å; G398-I427 WeakPolarHBondContact O-CD1 3.4Å |
| 399 | L | 96.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 178.3 | -72.7 | 172.3 | 0 | 0 | 0 | 112.4 | G330 T332 L334 F351 L395 G396 H397 I427 | G330-L399 WeakPolarHBondContact CA-O 3.34Å; G330-L399 PolarHBondContact N-O 2.79Å; T332-L399 HydrophobicContact CG2-CD2 4.33Å; T332-L399 VanDerWaalsContact O-CD2 3.3Å; T332-L399 WeakPolarHBondContact O-CD2 3.45Å; T332-L399 PolarHBondContact OG1-O 2.92Å; L334-L399 HydrophobicContact CD1-CD1 4.45Å; L334-L399 HydrophobicContact CD1-CD2 4.31Å; L334-L399 HydrophobicContact CD2-CD2 3.95Å; L334-L399 HydrophobicContact CG-CD2 3.9Å; F351-L399 HydrophobicContact CB-CD1 4.31Å; F351-L399 HydrophobicContact CD2-CD1 3.5Å; F351-L399 HydrophobicContact CE2-CD1 4.2Å; F351-L399 HydrophobicContact CG-CD1 4.17Å; L395-L399 HydrophobicContact CG-CD1 4.21Å; L395-L399 WeakPolarHBondContact O-CG 3.27Å; L395-L399 PolarHBondContact O-N 3.01Å; G396-L399 PolarHBondContact O-N 3.43Å; H397-L399 VanDerWaalsContact C-N 3.33Å; H397-L399 PolarHBondContact O-N 3.48Å; L399-I427 HydrophobicContact CD2-CD1 4.45Å |
| 400 | C | 95.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -87.8 | -27.5 | -172 | -62 | 0 | 0 | 0 | 0 | 114.2 | P329 G330 R357 A361 Y362 G396 H397 G402 A858 I861 | P329-C400 WeakPolarHBondContact CA-O 3.39Å; P329-C400 WeakPolarHBondContact CB-O 3.23Å; G330-C400 PolarHBondContact N-O 3.05Å; R357-C400 WeakPolarHBondContact CD-SG 3.24Å; A361-C400 HydrophobicContact CB-CB 4.36Å; Y362-C400 HydrophobicContact CE1-CB 4.48Å; G396-C400 WeakPolarHBondContact O-CB 3.4Å; G396-C400 PolarHBondContact O-N 2.7Å; G396-C400 PolarHBondContact O-SG 3.44Å; H397-C400 PolarHBondContact O-N 3.43Å; C400-G402 PolarHBondContact O-N 3.29Å; C400-A858 HydrophobicContact CB-CB 3.65Å; C400-I861 HydrophobicContact CB-CD1 3.57Å |
| 401 | S | 94.2 | Very high | 87.3 | Confident | 7 Ų | 7 | 33 Ų | 33 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73 | -25.2 | -172.5 | 60.3 | 0 | 0 | 0 | 0 | 115.2 | H397 G398 A403 | H397-S401 WeakPolarHBondContact O-CB 3.35Å; H397-S401 PolarHBondContact O-N 3.43Å; H397-S401 PolarHBondContact O-OG 2.86Å; G398-S401 PolarHBondContact O-OG 3.47Å; S401-A403 PolarHBondContact O-N 3.44Å; S401-A403 PolarHBondContact OG-N 3.38Å |
| 402 | G | 91.4 | Very high | 85 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 76.2 | -1.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C400 H404 S405 H869 | C400-G402 PolarHBondContact O-N 3.29Å; G402-H404 PolarHBondContact O-N 3.46Å; G402-H404 VanDerWaalsContact O-N 3.11Å; G402-S405 PolarHBondContact O-N 3.16Å; G402-S405 VanDerWaalsContact O-N 3.11Å; G402-H869 PolarHBondContact O-NE2 2.84Å |
| 403 | A | 91.3 | Very high | 82.6 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S401 W406 V867 H869 | S401-A403 PolarHBondContact O-N 3.44Å; S401-A403 PolarHBondContact OG-N 3.38Å; A403-W406 WeakPolarHBondContact O-CZ3 3.47Å; A403-V867 HydrophobicContact CB-CB 4.49Å; A403-V867 HydrophobicContact CB-CG1 4.27Å; A403-V867 HydrophobicContact CB-CG2 4.25Å; A403-H869 PolarHBondContact O-CE1 2.77Å; A403-H869 PolarHBondContact O-NE2 3.5Å |
| 404 | H | 92.2 | Very high | 80.3 | Confident | 42 Ų | 42 | 43 Ų | 43 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 15.9 | 179.5 | -57.7 | -67.4 | 0 | 0 | 0 | 112.2 | F31 T332 G402 G426 I427 | F31-H404 AromaticContact CD2-NE2 3.79Å; T332-H404 HydrophobicContact CG2-CB 3.75Å; G402-H404 PolarHBondContact O-N 3.46Å; G402-H404 VanDerWaalsContact O-N 3.11Å; H404-G426 PolarHBondContact O-N 3.02Å; H404-I427 HydrophobicContact CB-CD1 4.12Å; H404-I427 HydrophobicContact CB-CG1 3.69Å |
| 405 | S | 91.5 | Very high | 77.8 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | trans | -131.2 | 106.1 | -172.8 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | Y327 G328 M331 T332 G402 | Y327-S405 WeakPolarHBondContact CA-OG 3.28Å; Y327-S405 WeakPolarHBondContact CB-OG 3.42Å; G328-S405 PolarHBondContact N-OG 3.44Å; G328-S405 WeakPolarHBondContact O-CB 3.42Å; M331-S405 PolarHBondContact O-OG 3.47Å; T332-S405 WeakPolarHBondContact OG1-CB 3.19Å; G402-S405 PolarHBondContact O-N 3.16Å; G402-S405 VanDerWaalsContact O-N 3.11Å | ||
| 406 | W | 87.3 | Confident | 75.6 | Confident | 46 Ų | 46 | 50.1 Ų | 50.1 | 17% | 0.174 | 28% | 0.277 | C | S | . | . | trans | -150 | 166.8 | 178.8 | 61.3 | 90 | 0 | 0 | 0 | 110.6 | A403 I423 P425 H869 | A403-W406 WeakPolarHBondContact O-CZ3 3.47Å; W406-I423 HydrophobicContact CH2-CG2 4.18Å; W406-I423 HydrophobicContact CZ2-CG2 4.09Å; W406-I423 WeakPolarHBondContact CZ2-O 3.36Å; W406-P425 HydrophobicContact CD2-CB 3.88Å; W406-P425 HydrophobicContact CE3-CB 4.35Å; W406-P425 HydrophobicContact CG-CB 4.21Å; W406-P425 HydrophobicContact CZ2-CB 4.19Å; W406-P425 WeakPolarHBondContact O-CG 3.37Å; W406-H869 HydrophobicContact CB-CB 3.72Å; W406-H869 AromaticContact CE3-CD2 3.77Å; W406-H869 AromaticContact CE3-CE1 3.28Å; W406-H869 AromaticContact CE3-CG 3.89Å; W406-H869 AromaticContact CE3-ND1 3.59Å; W406-H869 AromaticContact CE3-NE2 3.41Å; W406-H869 HydrophobicContact CG-CB 4.32Å; W406-H869 AromaticContact CZ3-CE1 3.49Å; W406-H869 VanDerWaalsContact CZ3-CE1 3.49Å; W406-H869 WeakPolarHBondContact CZ3-CE1 3.49Å; W406-H869 AromaticContact CZ3-NE2 3.89Å | ||
| 407 | L | 81.1 | Confident | 73.7 | Confident | 59 Ų | 59 | 54.1 Ų | 54.1 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 133.4 | 177.1 | -73.7 | 173.3 | 0 | 0 | 0 | 111.3 | A325 Y327 P409 S872 | A325-L407 HydrophobicContact CB-CD2 3.73Å; Y327-L407 HydrophobicContact CD1-CD1 4.36Å; Y327-L407 HydrophobicContact CD1-CD2 3.46Å; Y327-L407 VanDerWaalsContact CD1-CD2 3.46Å; Y327-L407 HydrophobicContact CD1-CG 3.55Å; Y327-L407 HydrophobicContact CE1-CD1 3.57Å; Y327-L407 HydrophobicContact CE1-CD2 3.43Å; Y327-L407 VanDerWaalsContact CE1-CD2 3.43Å; Y327-L407 HydrophobicContact CE1-CG 3.26Å; Y327-L407 HydrophobicContact CE2-CG 4.3Å; Y327-L407 HydrophobicContact CG-CD2 4.42Å; Y327-L407 HydrophobicContact CG-CG 4.22Å; L407-P409 WeakPolarHBondContact O-CD 3.18Å; L407-S872 PolarHBondContact N-OG 2.81Å; L407-S872 VanDerWaalsContact N-OG 3.15Å |
| 408 | V | 72.2 | Confident | 72.2 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 42% | 0.418 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -64 | 128.2 | 165.9 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | N410 F412 L424 P425 | V408-N410 PolarHBondContact O-N 3.37Å; V408-F412 HydrophobicContact CG1-CB 4.19Å; V408-F412 HydrophobicContact CG1-CD1 4.44Å; V408-L424 HydrophobicContact CG1-CD2 4.36Å; V408-P425 HydrophobicContact CG2-CG 3.64Å |
| 409 | P | 63.3 | Low | 71.3 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 50% | 0.5 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -59 | 130.8 | 177.9 | -24.5 | 34 | 0 | 0 | 0 | 111.8 | L407 N411 F412 | L407-P409 WeakPolarHBondContact O-CD 3.18Å; P409-N411 PolarHBondContact O-N 2.71Å; P409-F412 WeakPolarHBondContact O-CB 3.37Å; P409-F412 PolarHBondContact O-N 2.98Å |
| 410 | N | 54.8 | Low | 70.4 | Confident | 167 Ų | 167 | 60.1 Ų | 60.1 | 89% | 0.893 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -25.5 | -179.4 | -73.1 | -7.4 | 0 | 0 | 0 | 114.4 | V408 F412 | V408-N410 PolarHBondContact O-N 3.37Å; N410-F412 VanDerWaalsContact C-N 3.26Å; N410-F412 PolarHBondContact O-N 3.39Å |
| 411 | N | 48.7 | Very low | 69.4 | Low | 150 Ų | 150 | 61.6 Ų | 61.6 | 80% | 0.802 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2.5 | -179.6 | -64.3 | -8.8 | 0 | 0 | 0 | 113.4 | P409 S413 | P409-N411 PolarHBondContact O-N 2.71Å; N411-S413 PolarHBondContact O-N 2.98Å; N411-S413 VanDerWaalsContact O-N 3.13Å |
| 412 | F | 48.5 | Very low | 68.3 | Low | 44 Ų | 44 | 63.5 Ų | 63.5 | 19% | 0.193 | 38% | 0.375 | C | S | . | . | trans | -83.8 | 83.5 | 177.6 | -165.5 | -103.9 | 0 | 0 | 0 | 110.7 | F76 V408 P409 N410 P422 L424 | F76-F412 AromaticContact CE2-CE2 3.93Å; F76-F412 HydrophobicContact CE2-CE2 3.93Å; F76-F412 HydrophobicContact CE2-CZ 4.44Å; F76-F412 AromaticContact CZ-CE2 3.76Å; F76-F412 HydrophobicContact CZ-CE2 3.76Å; F76-F412 AromaticContact CZ-CZ 3.82Å; F76-F412 HydrophobicContact CZ-CZ 3.82Å; V408-F412 HydrophobicContact CG1-CB 4.19Å; V408-F412 HydrophobicContact CG1-CD1 4.44Å; P409-F412 WeakPolarHBondContact O-CB 3.37Å; P409-F412 PolarHBondContact O-N 2.98Å; N410-F412 VanDerWaalsContact C-N 3.26Å; N410-F412 PolarHBondContact O-N 3.39Å; F412-P422 HydrophobicContact CD2-CG 3.48Å; F412-P422 VanDerWaalsContact CD2-CG 3.48Å; F412-P422 HydrophobicContact CE2-CG 3.29Å; F412-P422 HydrophobicContact CG-CG 4.45Å; F412-P422 HydrophobicContact CZ-CG 4.12Å; F412-L424 HydrophobicContact CD1-CD2 4.11Å; F412-L424 HydrophobicContact CE1-CD1 4.3Å; F412-L424 HydrophobicContact CE1-CD2 3.87Å; F412-L424 HydrophobicContact CZ-CD2 4.21Å | ||
| 413 | S | 45 | Very low | 67.6 | Low | 56 Ų | 56 | 67.3 Ų | 67.3 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | trans | -91.8 | 139.3 | 155.5 | 60.8 | 0 | 0 | 0 | 0 | 108.5 | N411 T415 T416 | N411-S413 PolarHBondContact O-N 2.98Å; N411-S413 VanDerWaalsContact O-N 3.13Å; S413-T415 VanDerWaalsContact CB-OG1 3.26Å; S413-T415 WeakPolarHBondContact CB-OG1 3.16Å; S413-T415 PolarHBondContact O-N 2.8Å; S413-T415 PolarHBondContact OG-OG1 3.01Å; S413-T416 PolarHBondContact O-N 2.77Å; S413-T416 VanDerWaalsContact O-N 3.13Å; S413-T416 PolarHBondContact O-OG1 2.85Å; S413-T416 VanDerWaalsContact O-OG1 3.1Å | ||
| 414 | H | 49.3 | Very low | 67.1 | Low | 114 Ų | 114 | 68.6 Ų | 68.6 | 53% | 0.528 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 0.3 | 168.7 | -79.3 | -85.3 | 0 | 0 | 0 | 113.7 | ||
| 415 | T | 44.6 | Very low | 66.7 | Low | 94 Ų | 94 | 67.5 Ų | 67.5 | 58% | 0.577 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 2.4 | 178.4 | 60.4 | 0 | 0 | 0 | 0 | 114 | S413 T417 | S413-T415 VanDerWaalsContact CB-OG1 3.26Å; S413-T415 WeakPolarHBondContact CB-OG1 3.16Å; S413-T415 PolarHBondContact O-N 2.8Å; S413-T415 PolarHBondContact OG-OG1 3.01Å; T415-T417 PolarHBondContact O-N 3.33Å; T415-T417 VanDerWaalsContact O-N 3.07Å |
| 416 | T | 50.6 | Low | 66.4 | Low | 60 Ų | 60 | 67.6 Ų | 67.6 | 37% | 0.368 | 40% | 0.397 | S | S | . | . | trans | -70.8 | 103.1 | 174.7 | -45.9 | 0 | 0 | 0 | 0 | 109.8 | F76 S413 | F76-T416 WeakPolarHBondContact CB-O 3.46Å; F76-T416 WeakPolarHBondContact CG-O 3.35Å; S413-T416 PolarHBondContact O-N 2.77Å; S413-T416 VanDerWaalsContact O-N 3.13Å; S413-T416 PolarHBondContact O-OG1 2.85Å; S413-T416 VanDerWaalsContact O-OG1 3.1Å | ||
| 417 | T | 58.4 | Low | 66.6 | Low | 83 Ų | 83 | 65.5 Ų | 65.5 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | trans | -75.9 | 134.5 | 174.9 | 50.5 | 0 | 0 | 0 | 0 | 110.8 | T415 G419 | T415-T417 PolarHBondContact O-N 3.33Å; T415-T417 VanDerWaalsContact O-N 3.07Å; T417-G419 PolarHBondContact O-N 3.31Å | ||
| 418 | G | 65.4 | Low | 66.9 | Low | 40 Ų | 40 | 67.1 Ų | 67.1 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 78.1 | 1.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | F76 D78 | F76-G418 WeakPolarHBondContact O-CA 3.44Å; F76-G418 PolarHBondContact O-N 3.43Å; D78-G418 WeakPolarHBondContact OD1-CA 3.5Å; D78-G418 PolarHBondContact OD1-N 3.25Å; D78-G418 VanDerWaalsContact OD1-N 3.16Å |
| 419 | G | 75.4 | Confident | 67.8 | Low | 16 Ų | 16 | 64 Ų | 64 | 17% | 0.165 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -90.8 | 162.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q75 F76 T417 | Q75-G419 CarbonylContact C-O 3.6Å; Q75-G419 WeakPolarHBondContact CA-O 3.34Å; F76-G419 WeakPolarHBondContact CD2-O 3.48Å; F76-G419 PolarHBondContact N-O 3.47Å; T417-G419 PolarHBondContact O-N 3.31Å |
| 420 | P | 77.2 | Confident | 68.9 | Low | 105 Ų | 105 | 62.2 Ų | 62.2 | 68% | 0.682 | 36% | 0.358 | S | S | * | . | B | Isolated β-bridge | trans | -62.8 | 139.3 | 170 | 27.9 | -33.8 | 0 | 0 | 0 | 110.7 | K74 P422 | K74-P420 CarbonylContact O-C 3.33Å; K74-P420 WeakPolarHBondContact O-CA 3.45Å; P420-P422 WeakPolarHBondContact O-CD 3.28Å |
| 421 | V | 76 | Confident | 70.7 | Confident | 33 Ų | 33 | 54.3 Ų | 54.3 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 116.7 | 174.3 | -175.2 | 0 | 0 | 0 | 0 | 108 | K74 F76 Y105 | K74-V421 HydrophobicContact CB-CB 3.72Å; K74-V421 HydrophobicContact CB-CG2 3.72Å; K74-V421 PolarHBondContact O-N 2.82Å; F76-V421 HydrophobicContact CD1-CG2 4.12Å; F76-V421 HydrophobicContact CD2-CG2 3.96Å; F76-V421 HydrophobicContact CE1-CG2 4.04Å; F76-V421 HydrophobicContact CE2-CB 4.29Å; F76-V421 HydrophobicContact CE2-CG1 4.46Å; F76-V421 HydrophobicContact CE2-CG2 3.88Å; F76-V421 HydrophobicContact CG-CG2 4.08Å; F76-V421 HydrophobicContact CZ-CB 4.38Å; F76-V421 HydrophobicContact CZ-CG1 4.12Å; F76-V421 HydrophobicContact CZ-CG2 3.92Å; Y105-V421 HydrophobicContact CD1-CG2 4.25Å; Y105-V421 HydrophobicContact CG-CG2 4.34Å |
| 422 | P | 70.9 | Confident | 72.8 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 31% | 0.312 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 149.7 | 177.3 | 31.3 | -33.1 | 0 | 0 | 0 | 110.7 | F412 P420 L424 | F412-P422 HydrophobicContact CD2-CG 3.48Å; F412-P422 VanDerWaalsContact CD2-CG 3.48Å; F412-P422 HydrophobicContact CE2-CG 3.29Å; F412-P422 HydrophobicContact CG-CG 4.45Å; F412-P422 HydrophobicContact CZ-CG 4.12Å; P420-P422 WeakPolarHBondContact O-CD 3.28Å; P422-L424 PolarHBondContact O-N 3.23Å |
| 423 | I | 76.3 | Confident | 74.7 | Confident | 80 Ų | 80 | 46.7 Ų | 46.7 | 41% | 0.41 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 119.9 | 167.4 | -57.9 | 176.3 | 0 | 0 | 0 | 107.5 | E35 W406 | E35-I423 HydrophobicContact CB-CD1 4.43Å; E35-I423 HydrophobicContact CB-CG1 4.49Å; W406-I423 HydrophobicContact CH2-CG2 4.18Å; W406-I423 HydrophobicContact CZ2-CG2 4.09Å; W406-I423 WeakPolarHBondContact CZ2-O 3.36Å |
| 424 | L | 80.6 | Confident | 76.7 | Confident | 49 Ų | 49 | 46.1 Ų | 46.1 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 150.9 | 175.7 | -61.8 | 176.2 | 0 | 0 | 0 | 110.8 | R335 V408 F412 P422 | R335-L424 PolarHBondContact NH2-O 2.99Å; V408-L424 HydrophobicContact CG1-CD2 4.36Å; F412-L424 HydrophobicContact CD1-CD2 4.11Å; F412-L424 HydrophobicContact CE1-CD1 4.3Å; F412-L424 HydrophobicContact CE1-CD2 3.87Å; F412-L424 HydrophobicContact CZ-CD2 4.21Å; P422-L424 PolarHBondContact O-N 3.23Å |
| 425 | P | 82.9 | Confident | 78.7 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -63.8 | 173.4 | 174.2 | 29.5 | -36 | 0 | 0 | 0 | 111.9 | R335 W406 V408 | R335-P425 PolarHBondContact NE-O 2.98Å; R335-P425 PolarHBondContact NH2-O 3.39Å; W406-P425 HydrophobicContact CD2-CB 3.88Å; W406-P425 HydrophobicContact CE3-CB 4.35Å; W406-P425 HydrophobicContact CG-CB 4.21Å; W406-P425 HydrophobicContact CZ2-CB 4.19Å; W406-P425 WeakPolarHBondContact O-CG 3.37Å; V408-P425 HydrophobicContact CG2-CG 3.64Å |
| 426 | G | 86.1 | Confident | 80.8 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 85.1 | 160.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G333 H404 | G333-G426 CarbonylContact O-C 3.54Å; G333-G426 WeakPolarHBondContact O-CA 3.45Å; H404-G426 PolarHBondContact O-N 3.02Å |
| 427 | I | 91.6 | Very high | 82.4 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -101.6 | 144.4 | -175.4 | -74.3 | 165.6 | 0 | 0 | 0 | 110.4 | F31 T332 G333 L334 R335 L395 G398 L399 H404 P429 | F31-I427 HydrophobicContact CD1-CG2 3.8Å; F31-I427 HydrophobicContact CD2-CD1 4.02Å; F31-I427 HydrophobicContact CD2-CG1 4.03Å; F31-I427 HydrophobicContact CD2-CG2 4.15Å; F31-I427 HydrophobicContact CE1-CG2 3.3Å; F31-I427 HydrophobicContact CE2-CD1 3.77Å; F31-I427 HydrophobicContact CE2-CG1 4.09Å; F31-I427 HydrophobicContact CE2-CG2 3.68Å; F31-I427 HydrophobicContact CG-CG1 4.4Å; F31-I427 HydrophobicContact CG-CG2 4.21Å; F31-I427 HydrophobicContact CZ-CB 4.47Å; F31-I427 HydrophobicContact CZ-CD1 4.4Å; F31-I427 HydrophobicContact CZ-CG2 3.23Å; T332-I427 HydrophobicContact CG2-CD1 3.67Å; T332-I427 HydrophobicContact CG2-CG1 3.95Å; G333-I427 PolarHBondContact O-N 3.18Å; L334-I427 HydrophobicContact CD2-CB 3.91Å; L334-I427 HydrophobicContact CD2-CG2 3.86Å; R335-I427 PolarHBondContact N-O 2.65Å; L395-I427 HydrophobicContact CD1-CG2 4.24Å; G398-I427 VanDerWaalsContact CA-CD1 3.46Å; G398-I427 WeakPolarHBondContact O-CD1 3.4Å; L399-I427 HydrophobicContact CD2-CD1 4.45Å; H404-I427 HydrophobicContact CB-CD1 4.12Å; H404-I427 HydrophobicContact CB-CG1 3.69Å; I427-P429 WeakPolarHBondContact O-CD 3.38Å |
| 428 | R | 87.8 | Confident | 83.6 | Confident | 94 Ų | 94 | 33.8 Ų | 33.8 | 36% | 0.355 | 21% | 0.206 | S | C | . | . | trans | -102.3 | 103.1 | 170 | -74.5 | 178.8 | 149.8 | 176.1 | -4.6 | 109.1 | R335 L337 I430 | R335-R428 HydrophobicContact CB-CG 4.04Å; R335-R428 HydrophobicContact CG-CG 4.1Å; L337-R428 HydrophobicContact CD2-CB 4.5Å; R428-I430 HydrophobicContact CB-CD1 3.95Å; R428-I430 HydrophobicContact CB-CG1 4.06Å; R428-I430 PolarHBondContact O-N 2.73Å | ||
| 429 | P | 90.6 | Very high | 84.5 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | trans | -78.6 | 47.8 | -176.1 | 33.2 | -37 | 0 | 0 | 0 | 112.8 | L334 L337 M343 L395 I427 R433 | L334-P429 HydrophobicContact CD2-CB 4.46Å; L334-P429 HydrophobicContact CD2-CG 4.3Å; L337-P429 HydrophobicContact CD1-CG 4.04Å; M343-P429 HydrophobicContact CE-CB 4.21Å; M343-P429 HydrophobicContact CE-CG 3.66Å; L395-P429 HydrophobicContact CD1-CB 3.96Å; I427-P429 WeakPolarHBondContact O-CD 3.38Å; P429-R433 VanDerWaalsContact O-CB 3.3Å; P429-R433 WeakPolarHBondContact O-CB 3.38Å; P429-R433 PolarHBondContact O-N 3.07Å | ||
| 430 | I | 87.3 | Confident | 84.9 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 21% | 0.21 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.8 | -50.5 | -169.1 | -64.3 | 165.4 | 0 | 0 | 0 | 111.6 | L162 L337 R428 F432 R433 R434 | L162-I430 HydrophobicContact CB-CG2 4.02Å; L162-I430 HydrophobicContact CD1-CB 4.45Å; L162-I430 HydrophobicContact CD1-CG2 3.69Å; L162-I430 HydrophobicContact CD2-CG2 4.02Å; L162-I430 HydrophobicContact CG-CG2 4.11Å; L337-I430 HydrophobicContact CD1-CB 4.44Å; L337-I430 HydrophobicContact CD1-CG1 3.84Å; L337-I430 HydrophobicContact CD2-CG1 3.93Å; R428-I430 HydrophobicContact CB-CD1 3.95Å; R428-I430 HydrophobicContact CB-CG1 4.06Å; R428-I430 PolarHBondContact O-N 2.73Å; I430-F432 VanDerWaalsContact C-N 3.31Å; I430-F432 PolarHBondContact O-N 3.35Å; I430-R433 PolarHBondContact O-N 3.15Å; I430-R434 WeakPolarHBondContact O-CB 3.32Å; I430-R434 PolarHBondContact O-N 3.49Å |
| 431 | L | 91.5 | Very high | 85.1 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63 | -38.7 | 179.6 | -69.3 | -179.6 | 0 | 0 | 0 | 112 | E26 P28 L162 V385 R434 L435 | E26-L431 HydrophobicContact CB-CD1 4.44Å; E26-L431 HydrophobicContact CG-CD1 4.42Å; E26-L431 WeakPolarHBondContact OE1-CG 3.46Å; P28-L431 HydrophobicContact CB-CD1 4.48Å; L162-L431 HydrophobicContact CD1-CD2 3.83Å; L162-L431 HydrophobicContact CD1-CG 4.37Å; L162-L431 HydrophobicContact CD2-CD2 3.82Å; L162-L431 HydrophobicContact CG-CD2 4.41Å; V385-L431 HydrophobicContact CB-CD2 4.41Å; V385-L431 HydrophobicContact CG1-CD1 4.28Å; V385-L431 HydrophobicContact CG1-CD2 4.28Å; L431-R434 PolarHBondContact O-N 2.9Å; L431-L435 PolarHBondContact O-N 3.25Å; L431-L435 VanDerWaalsContact O-N 3.11Å |
| 432 | F | 93.4 | Very high | 85.3 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -47.4 | 175.6 | -179.8 | -100.8 | 0 | 0 | 0 | 111.9 | M343 L347 I388 Q391 F392 L395 I430 R434 L435 M436 F454 L458 | M343-F432 HydrophobicContact CG-CE1 4.36Å; M343-F432 HydrophobicContact SD-CD1 3.94Å; M343-F432 HydrophobicContact SD-CE1 3.96Å; L347-F432 HydrophobicContact CD1-CD1 4.26Å; L347-F432 HydrophobicContact CD1-CE1 4.04Å; L347-F432 HydrophobicContact CD2-CE1 3.96Å; L347-F432 HydrophobicContact CD2-CZ 4.15Å; I388-F432 HydrophobicContact CD1-CD2 4.16Å; I388-F432 HydrophobicContact CD1-CE2 3.84Å; Q391-F432 HydrophobicContact CB-CD2 4.37Å; F392-F432 HydrophobicContact CB-CE2 4.29Å; F392-F432 HydrophobicContact CD2-CD2 4.42Å; F392-F432 AromaticContact CD2-CE2 3.64Å; F392-F432 HydrophobicContact CD2-CE2 3.64Å; F392-F432 AromaticContact CD2-CZ 3.95Å; F392-F432 HydrophobicContact CD2-CZ 3.95Å; F392-F432 HydrophobicContact CE2-CZ 4.41Å; F392-F432 HydrophobicContact CG-CE2 4.42Å; L395-F432 HydrophobicContact CD2-CD1 4.44Å; I430-F432 VanDerWaalsContact C-N 3.31Å; I430-F432 PolarHBondContact O-N 3.35Å; F432-R434 VanDerWaalsContact C-N 3.3Å; F432-R434 PolarHBondContact O-N 3.02Å; F432-L435 WeakPolarHBondContact O-CB 3.37Å; F432-L435 PolarHBondContact O-N 3.29Å; F432-L435 VanDerWaalsContact O-N 3.13Å; F432-M436 HydrophobicContact CD1-CG 4.26Å; F432-M436 HydrophobicContact CD2-CE 4.44Å; F432-M436 HydrophobicContact CE1-CG 3.83Å; F432-M436 HydrophobicContact CE1-SD 4.18Å; F432-M436 HydrophobicContact CE2-CE 3.82Å; F432-M436 HydrophobicContact CE2-SD 4.29Å; F432-M436 HydrophobicContact CZ-CE 3.93Å; F432-M436 HydrophobicContact CZ-CG 4.01Å; F432-M436 HydrophobicContact CZ-SD 3.77Å; F432-M436 WeakPolarHBondContact O-CG 3.14Å; F432-M436 PolarHBondContact O-N 3.38Å; F432-F454 HydrophobicContact CE1-CZ 4.26Å; F432-L458 HydrophobicContact CE2-CD1 4.34Å; F432-L458 HydrophobicContact CZ-CD1 3.77Å; F432-L458 HydrophobicContact CZ-CD2 4.38Å |
| 433 | R | 88.5 | Confident | 85.9 | Confident | 29 Ų | 29 | 35.4 Ų | 35.4 | 11% | 0.109 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.5 | -43.1 | 175.5 | 171 | 61 | -172.2 | -64.5 | 7.1 | 111.8 | L337 M343 P429 I430 L435 M436 G437 T445 | L337-R433 HydrophobicContact CD1-CB 4.08Å; L337-R433 HydrophobicContact CD1-CG 4.4Å; M343-R433 HydrophobicContact CE-CB 4.3Å; M343-R433 HydrophobicContact SD-CB 4.4Å; P429-R433 VanDerWaalsContact O-CB 3.3Å; P429-R433 WeakPolarHBondContact O-CB 3.38Å; P429-R433 PolarHBondContact O-N 3.07Å; I430-R433 PolarHBondContact O-N 3.15Å; R433-L435 VanDerWaalsContact C-N 3.32Å; R433-L435 PolarHBondContact O-N 3.17Å; R433-M436 PolarHBondContact O-N 2.69Å; R433-G437 PolarHBondContact O-N 3.39Å; R433-G437 VanDerWaalsContact O-N 3.15Å; R433-T445 PolarHBondContact NH2-O 2.82Å |
| 434 | R | 87.3 | Confident | 85.9 | Confident | 44 Ų | 44 | 33.6 Ų | 33.6 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.2 | -45.8 | 175.8 | 177.7 | -174.8 | 168.2 | -86 | -2.2 | 111.2 | E165 D386 I430 L431 F432 G437 A438 | E165-R434 IonicContact OE1-NE 2.7Å; E165-R434 PolarHBondContact OE1-NE 3.02Å; E165-R434 WeakPolarHBondContact OE2-CD 3.32Å; E165-R434 WeakPolarHBondContact OE2-CG 3.42Å; E165-R434 IonicContact OE2-NE 3.61Å; E165-R434 PolarHBondContact OE2-NE 3.33Å; D386-R434 IonicContact OD1-CZ 3.64Å; D386-R434 IonicContact OD1-NH1 3.89Å; D386-R434 PolarHBondContact OD1-NH1 2.9Å; D386-R434 IonicContact OD1-NH2 3.8Å; D386-R434 PolarHBondContact OD1-NH2 3.07Å; I430-R434 WeakPolarHBondContact O-CB 3.32Å; I430-R434 PolarHBondContact O-N 3.49Å; L431-R434 PolarHBondContact O-N 2.9Å; F432-R434 VanDerWaalsContact C-N 3.3Å; F432-R434 PolarHBondContact O-N 3.02Å; R434-G437 PolarHBondContact O-N 3.15Å; R434-A438 PolarHBondContact O-N 3.28Å |
| 435 | L | 89.7 | Confident | 85.5 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -39.9 | 177.1 | -84.1 | -179.9 | 0 | 0 | 0 | 113 | D386 I388 Q391 L431 F432 R433 G437 A438 H439 | D386-L435 HydrophobicContact CB-CD2 4.33Å; I388-L435 HydrophobicContact CB-CD1 4.38Å; I388-L435 HydrophobicContact CD1-CB 4.35Å; I388-L435 HydrophobicContact CD1-CD1 4.09Å; Q391-L435 HydrophobicContact CB-CD1 3.92Å; Q391-L435 HydrophobicContact CG-CD1 3.5Å; Q391-L435 VanDerWaalsContact CG-CD1 3.5Å; L431-L435 PolarHBondContact O-N 3.25Å; L431-L435 VanDerWaalsContact O-N 3.11Å; F432-L435 WeakPolarHBondContact O-CB 3.37Å; F432-L435 PolarHBondContact O-N 3.29Å; F432-L435 VanDerWaalsContact O-N 3.13Å; R433-L435 VanDerWaalsContact C-N 3.32Å; R433-L435 PolarHBondContact O-N 3.17Å; L435-G437 VanDerWaalsContact C-N 3.31Å; L435-G437 PolarHBondContact O-N 3.34Å; L435-A438 PolarHBondContact O-N 3.44Å; L435-H439 PolarHBondContact O-CD2 3.5Å; L435-H439 PolarHBondContact O-N 3.06Å |
| 436 | M | 90.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 175.9 | -65 | -59.1 | 93.7 | 0 | 0 | 111.6 | I388 F432 R433 H439 N440 F443 F454 Y457 L458 L461 | I388-M436 HydrophobicContact CD1-CE 3.3Å; I388-M436 HydrophobicContact CG1-CE 4.38Å; F432-M436 HydrophobicContact CD1-CG 4.26Å; F432-M436 HydrophobicContact CD2-CE 4.44Å; F432-M436 HydrophobicContact CE1-CG 3.83Å; F432-M436 HydrophobicContact CE1-SD 4.18Å; F432-M436 HydrophobicContact CE2-CE 3.82Å; F432-M436 HydrophobicContact CE2-SD 4.29Å; F432-M436 HydrophobicContact CZ-CE 3.93Å; F432-M436 HydrophobicContact CZ-CG 4.01Å; F432-M436 HydrophobicContact CZ-SD 3.77Å; F432-M436 WeakPolarHBondContact O-CG 3.14Å; F432-M436 PolarHBondContact O-N 3.38Å; R433-M436 PolarHBondContact O-N 2.69Å; M436-H439 PolarHBondContact O-N 3.17Å; M436-N440 PolarHBondContact O-N 2.89Å; M436-N440 VanDerWaalsContact O-N 3.09Å; M436-F443 HydrophobicContact CB-CB 4.26Å; M436-F454 HydrophobicContact CG-CE2 4.01Å; M436-F454 HydrophobicContact CG-CZ 4.33Å; M436-F454 HydrophobicContact SD-CE2 4.01Å; M436-F454 HydrophobicContact SD-CZ 4.29Å; M436-Y457 HydrophobicContact SD-CE1 4.32Å; M436-L458 HydrophobicContact SD-CD1 4.04Å; M436-L461 HydrophobicContact CE-CD2 3.59Å; M436-L461 HydrophobicContact SD-CD2 4.25Å |
| 437 | G | 83.2 | Confident | 83.9 | Confident | 16 Ų | 16 | 38.1 Ų | 38.1 | 17% | 0.165 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.3 | -30 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R433 R434 L435 A444 | R433-G437 PolarHBondContact O-N 3.39Å; R433-G437 VanDerWaalsContact O-N 3.15Å; R434-G437 PolarHBondContact O-N 3.15Å; L435-G437 VanDerWaalsContact C-N 3.31Å; L435-G437 PolarHBondContact O-N 3.34Å; G437-A444 WeakPolarHBondContact O-CB 3.29Å |
| 438 | A | 84.5 | Confident | 83.1 | Confident | 72 Ų | 72 | 38.3 Ų | 38.3 | 60% | 0.595 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -71.5 | -32.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R434 L435 | R434-A438 PolarHBondContact O-N 3.28Å; L435-A438 PolarHBondContact O-N 3.44Å |
| 439 | H | 84.2 | Confident | 83 | Confident | 74 Ų | 74 | 34.5 Ų | 34.5 | 34% | 0.343 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -87.2 | -20.9 | 179.7 | -74 | -63.1 | 0 | 0 | 0 | 114 | L435 M436 Y457 L461 | L435-H439 PolarHBondContact O-CD2 3.5Å; L435-H439 PolarHBondContact O-N 3.06Å; M436-H439 PolarHBondContact O-N 3.17Å; H439-Y457 VanDerWaalsContact C-OH 3.25Å; H439-Y457 WeakPolarHBondContact CB-OH 3.35Å; H439-Y457 PolarHBondContact O-OH 3.49Å; H439-L461 HydrophobicContact CB-CD1 4.41Å; H439-L461 HydrophobicContact CB-CD2 4.21Å |
| 440 | N | 84.3 | Confident | 83.1 | Confident | 37 Ų | 37 | 35 Ų | 35 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | trans | -149.9 | 125.3 | 179.7 | 176.5 | -30.1 | 0 | 0 | 0 | 111.6 | M436 T442 F443 A444 Y457 | M436-N440 PolarHBondContact O-N 2.89Å; M436-N440 VanDerWaalsContact O-N 3.09Å; N440-T442 VanDerWaalsContact C-N 3.26Å; N440-T442 PolarHBondContact O-N 3.08Å; N440-T442 WeakPolarHBondContact OD1-CA 3.35Å; N440-T442 WeakPolarHBondContact OD1-CB 3.36Å; N440-T442 PolarHBondContact OD1-N 3.04Å; N440-T442 PolarHBondContact OD1-OG1 2.97Å; N440-F443 HydrophobicContact CB-CD2 3.85Å; N440-F443 HydrophobicContact CB-CE2 4.39Å; N440-F443 PolarHBondContact O-N 2.97Å; N440-A444 PolarHBondContact O-N 2.74Å; N440-Y457 HydrophobicContact CB-CE1 4.03Å; N440-Y457 HydrophobicContact CB-CE2 3.66Å; N440-Y457 WeakPolarHBondContact CB-OH 3.44Å; N440-Y457 WeakPolarHBondContact ND2-CD2 3.29Å; N440-Y457 VanDerWaalsContact ND2-CE2 3.28Å; N440-Y457 WeakPolarHBondContact ND2-CE2 3.36Å | ||
| 441 | S | 80.7 | Confident | 83.4 | Confident | 98 Ų | 98 | 33.1 Ų | 33.1 | 69% | 0.685 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -61.6 | -29.2 | -176.9 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | A444 | S441-A444 VanDerWaalsContact O-CB 3.32Å; S441-A444 WeakPolarHBondContact O-CB 3.47Å; S441-A444 PolarHBondContact O-N 3.34Å |
| 442 | T | 80.3 | Confident | 83.6 | Confident | 60 Ų | 60 | 33.2 Ų | 33.2 | 37% | 0.368 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 176.5 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | N440 A444 T445 Q449 | N440-T442 VanDerWaalsContact C-N 3.26Å; N440-T442 PolarHBondContact O-N 3.08Å; N440-T442 WeakPolarHBondContact OD1-CA 3.35Å; N440-T442 WeakPolarHBondContact OD1-CB 3.36Å; N440-T442 PolarHBondContact OD1-N 3.04Å; N440-T442 PolarHBondContact OD1-OG1 2.97Å; T442-A444 VanDerWaalsContact C-N 3.29Å; T442-A444 PolarHBondContact O-N 3.45Å; T442-T445 PolarHBondContact O-N 2.9Å; T442-T445 PolarHBondContact O-OG1 3.04Å; T442-Q449 VanDerWaalsContact CG2-OE1 3.3Å; T442-Q449 PolarHBondContact O-NE2 2.8Å |
| 443 | F | 82.8 | Confident | 83.6 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -81 | -6.8 | 178.2 | -54.5 | -57.5 | 0 | 0 | 0 | 113.9 | Y342 M436 N440 T445 Q449 F454 Y457 | Y342-F443 HydrophobicContact CE2-CD1 4.17Å; Y342-F443 HydrophobicContact CE2-CE1 4.33Å; M436-F443 HydrophobicContact CB-CB 4.26Å; N440-F443 HydrophobicContact CB-CD2 3.85Å; N440-F443 HydrophobicContact CB-CE2 4.39Å; N440-F443 PolarHBondContact O-N 2.97Å; F443-T445 VanDerWaalsContact C-N 3.29Å; F443-Q449 HydrophobicContact CD1-CB 4.38Å; F443-Q449 HydrophobicContact CD1-CG 4.02Å; F443-Q449 HydrophobicContact CE1-CB 4.13Å; F443-Q449 HydrophobicContact CE1-CG 4.21Å; F443-F454 AromaticContact CD1-CD2 3.87Å; F443-F454 HydrophobicContact CD1-CD2 3.87Å; F443-F454 HydrophobicContact CD2-CD2 4.41Å; F443-F454 HydrophobicContact CE1-CB 3.89Å; F443-F454 AromaticContact CE1-CD2 3.66Å; F443-F454 HydrophobicContact CE1-CD2 3.66Å; F443-F454 HydrophobicContact CE1-CG 4.26Å; F443-F454 HydrophobicContact CE2-CD2 4.24Å; F443-F454 HydrophobicContact CG-CD2 4.27Å; F443-F454 HydrophobicContact CZ-CB 4.09Å; F443-F454 AromaticContact CZ-CD2 3.87Å; F443-F454 HydrophobicContact CZ-CD2 3.87Å; F443-F454 HydrophobicContact CZ-CG 4.5Å; F443-Y457 AromaticContact CD2-CD1 3.66Å; F443-Y457 HydrophobicContact CD2-CD1 3.66Å; F443-Y457 AromaticContact CD2-CE1 3.7Å; F443-Y457 HydrophobicContact CD2-CE1 3.7Å; F443-Y457 HydrophobicContact CD2-CG 4.29Å; F443-Y457 AromaticContact CE2-CD1 3.21Å; F443-Y457 HydrophobicContact CE2-CD1 3.21Å; F443-Y457 HydrophobicContact CE2-CD2 4.2Å; F443-Y457 AromaticContact CE2-CE1 3.74Å; F443-Y457 HydrophobicContact CE2-CE1 3.74Å; F443-Y457 AromaticContact CE2-CG 3.47Å; F443-Y457 HydrophobicContact CE2-CG 3.47Å; F443-Y457 VanDerWaalsContact CE2-CG 3.47Å; F443-Y457 HydrophobicContact CZ-CD1 4.18Å; F443-Y457 HydrophobicContact CZ-CG 4.3Å |
| 444 | A | 76.7 | Confident | 84 | Confident | 42 Ų | 42 | 37.2 Ų | 37.2 | 35% | 0.347 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.5 | -25.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G437 N440 S441 T442 | G437-A444 WeakPolarHBondContact O-CB 3.29Å; N440-A444 PolarHBondContact O-N 2.74Å; S441-A444 VanDerWaalsContact O-CB 3.32Å; S441-A444 WeakPolarHBondContact O-CB 3.47Å; S441-A444 PolarHBondContact O-N 3.34Å; T442-A444 VanDerWaalsContact C-N 3.29Å; T442-A444 PolarHBondContact O-N 3.45Å |
| 445 | T | 71.2 | Confident | 84.5 | Confident | 49 Ų | 49 | 35.2 Ų | 35.2 | 30% | 0.301 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -71.3 | 159.7 | 175.4 | 74.6 | 0 | 0 | 0 | 0 | 111.1 | R433 T442 F443 Q447 Q449 | R433-T445 PolarHBondContact NH2-O 2.82Å; T442-T445 PolarHBondContact O-N 2.9Å; T442-T445 PolarHBondContact O-OG1 3.04Å; F443-T445 VanDerWaalsContact C-N 3.29Å; T445-Q447 VanDerWaalsContact C-N 3.32Å; T445-Q447 PolarHBondContact OG1-N 2.94Å; T445-Q449 PolarHBondContact OG1-NE2 3.5Å; T445-Q449 VanDerWaalsContact OG1-NE2 3.16Å |
| 446 | R | 68.3 | Low | 84.7 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 13% | 0.132 | 22% | 0.224 | C | C | . | . | trans | -93.6 | 14.3 | 165.7 | -62.5 | -176.7 | 170.9 | -109.9 | 5.9 | 112.6 | E166 N169 S170 A173 L337 N339 | E166-R446 PolarHBondContact O-NH2 3.49Å; N169-R446 HydrophobicContact CB-CG 4.24Å; N169-R446 WeakPolarHBondContact O-CD 3.24Å; S170-R446 PolarHBondContact OG-NE 3.21Å; S170-R446 PolarHBondContact OG-NH2 3.03Å; A173-R446 HydrophobicContact CB-CB 3.68Å; A173-R446 HydrophobicContact CB-CG 4.18Å; L337-R446 PolarHBondContact O-NH1 3.02Å; L337-R446 VanDerWaalsContact O-NH1 3.1Å; N339-R446 VanDerWaalsContact CB-O 3.32Å; N339-R446 WeakPolarHBondContact CB-O 3.24Å; N339-R446 PolarHBondContact ND2-O 3.04Å | ||
| 447 | Q | 68.9 | Low | 85 | Confident | 89 Ų | 89 | 40.5 Ų | 40.5 | 42% | 0.416 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -69.6 | 148.6 | 172.7 | -69.5 | 179 | -17.1 | 0 | 0 | 109.5 | T445 Q449 | T445-Q447 VanDerWaalsContact C-N 3.32Å; T445-Q447 PolarHBondContact OG1-N 2.94Å; Q447-Q449 PolarHBondContact O-NE2 3.49Å |
| 448 | Q | 74.2 | Confident | 85.6 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | trans | -61.2 | 136.8 | 168.6 | -172.7 | 71.3 | 8.9 | 0 | 0 | 108.7 | N339 C341 N844 G846 Y848 | N339-Q448 VanDerWaalsContact CA-OE1 3.32Å; N339-Q448 HydrophobicContact CB-CB 4.37Å; N339-Q448 PolarHBondContact O-OE1 2.72Å; C341-Q448 PolarHBondContact SG-NE2 3.1Å; Q448-N844 WeakPolarHBondContact CB-O 3.36Å; Q448-G846 VanDerWaalsContact CD-O 3.3Å; Q448-G846 PolarHBondContact NE2-O 3.18Å; Q448-G846 VanDerWaalsContact NE2-O 3.17Å; Q448-Y848 VanDerWaalsContact NE2-CE2 3.33Å | ||
| 449 | Q | 85.8 | Confident | 86.1 | Confident | 14 Ų | 14 | 36.3 Ų | 36.3 | 7% | 0.065 | 20% | 0.196 | C | C | . | . | trans | -120.2 | 162.1 | -179.1 | -56.3 | -61.2 | -31.4 | 0 | 0 | 110.9 | Y342 T442 F443 T445 Q447 A451 Y848 | Y342-Q449 WeakPolarHBondContact CB-O 3.35Å; Y342-Q449 HydrophobicContact CD1-CB 4.01Å; Y342-Q449 HydrophobicContact CD2-CB 4.15Å; Y342-Q449 HydrophobicContact CE1-CB 3.69Å; Y342-Q449 HydrophobicContact CE1-CG 3.87Å; Y342-Q449 HydrophobicContact CE2-CB 3.93Å; Y342-Q449 HydrophobicContact CE2-CG 4.41Å; Y342-Q449 HydrophobicContact CG-CB 4.23Å; T442-Q449 VanDerWaalsContact CG2-OE1 3.3Å; T442-Q449 PolarHBondContact O-NE2 2.8Å; F443-Q449 HydrophobicContact CD1-CB 4.38Å; F443-Q449 HydrophobicContact CD1-CG 4.02Å; F443-Q449 HydrophobicContact CE1-CB 4.13Å; F443-Q449 HydrophobicContact CE1-CG 4.21Å; T445-Q449 PolarHBondContact OG1-NE2 3.5Å; T445-Q449 VanDerWaalsContact OG1-NE2 3.16Å; Q447-Q449 PolarHBondContact O-NE2 3.49Å; Q449-A451 PolarHBondContact O-N 3.01Å; Q449-Y848 WeakPolarHBondContact O-CE2 3.41Å | ||
| 450 | D | 91.6 | Very high | 86.5 | Confident | 13 Ų | 13 | 35.6 Ų | 35.6 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | trans | -70.2 | 126.7 | 173 | -168.4 | -43.8 | 0 | 0 | 0 | 110.9 | C452 E453 F454 T843 Y902 | D450-C452 VanDerWaalsContact C-N 3.31Å; D450-C452 PolarHBondContact O-N 3.03Å; D450-C452 WeakPolarHBondContact OD1-CA 3.19Å; D450-C452 WeakPolarHBondContact OD1-CB 3.15Å; D450-C452 PolarHBondContact OD1-N 3.35Å; D450-E453 HydrophobicContact CB-CB 4.1Å; D450-E453 HydrophobicContact CB-CG 3.91Å; D450-E453 PolarHBondContact O-N 3.3Å; D450-F454 WeakPolarHBondContact O-CB 3.32Å; D450-F454 PolarHBondContact O-N 3.21Å; D450-T843 HydrophobicContact CB-CG2 4.35Å; D450-T843 VanDerWaalsContact OD2-CG2 3.25Å; D450-T843 WeakPolarHBondContact OD2-CG2 3.48Å; D450-Y902 WeakPolarHBondContact OD1-CE1 3.27Å; D450-Y902 PolarHBondContact OD1-OH 3.19Å; D450-Y902 PolarHBondContact OD2-OH 2.81Å | ||
| 451 | A | 94.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -32.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V346 Q449 L455 Y848 L903 | V346-A451 HydrophobicContact CG2-CB 4.05Å; V346-A451 WeakPolarHBondContact CG2-O 3.33Å; Q449-A451 PolarHBondContact O-N 3.01Å; A451-L455 WeakPolarHBondContact O-CB 3.33Å; A451-L455 PolarHBondContact O-N 3.38Å; A451-Y848 HydrophobicContact CB-CD1 3.77Å; A451-Y848 HydrophobicContact CB-CE1 3.5Å; A451-Y848 HydrophobicContact CB-CE2 4.33Å; A451-Y848 HydrophobicContact CB-CG 4.27Å; A451-Y848 PolarHBondContact N-OH 2.77Å; A451-L903 HydrophobicContact CB-CD1 4.42Å |
| 452 | C | 95.6 | Very high | 87.4 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 3% | 0.027 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.9 | -50.1 | 175.6 | -168.7 | 0 | 0 | 0 | 0 | 110.8 | D450 F454 L455 I456 I505 Y902 L903 | D450-C452 VanDerWaalsContact C-N 3.31Å; D450-C452 PolarHBondContact O-N 3.03Å; D450-C452 WeakPolarHBondContact OD1-CA 3.19Å; D450-C452 WeakPolarHBondContact OD1-CB 3.15Å; D450-C452 PolarHBondContact OD1-N 3.35Å; C452-F454 VanDerWaalsContact C-N 3.34Å; C452-F454 PolarHBondContact O-N 3.43Å; C452-L455 WeakPolarHBondContact O-CB 3.39Å; C452-L455 PolarHBondContact O-N 3.4Å; C452-L455 VanDerWaalsContact O-N 3.17Å; C452-I456 WeakPolarHBondContact O-CG1 3.23Å; C452-I456 PolarHBondContact O-N 3.12Å; C452-I505 WeakPolarHBondContact SG-CD1 3.14Å; C452-Y902 HydrophobicContact CB-CE1 4.05Å; C452-L903 HydrophobicContact CB-CD1 4.38Å; C452-L903 HydrophobicContact CB-CD2 4.05Å |
| 453 | E | 94.1 | Very high | 87.8 | Confident | 117 Ų | 117 | 27.9 Ų | 27.9 | 55% | 0.547 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.1 | -43 | 177.8 | -66.3 | -175.8 | 167.4 | 0 | 0 | 111.3 | D450 L455 I456 Y457 | D450-E453 HydrophobicContact CB-CB 4.1Å; D450-E453 HydrophobicContact CB-CG 3.91Å; D450-E453 PolarHBondContact O-N 3.3Å; E453-L455 VanDerWaalsContact C-N 3.34Å; E453-L455 PolarHBondContact O-N 3.18Å; E453-I456 PolarHBondContact O-N 2.81Å; E453-Y457 WeakPolarHBondContact O-CB 3.4Å; E453-Y457 PolarHBondContact O-N 3.37Å |
| 454 | F | 95.7 | Very high | 88 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 174.1 | 178.3 | -103.8 | 0 | 0 | 0 | 112.4 | Y342 M343 V346 F432 M436 F443 D450 C452 Y457 L458 | Y342-F454 HydrophobicContact CD2-CB 3.76Å; Y342-F454 HydrophobicContact CD2-CD1 4.19Å; Y342-F454 HydrophobicContact CD2-CD2 4.35Å; Y342-F454 AromaticContact CD2-CG 3.82Å; Y342-F454 HydrophobicContact CD2-CG 3.82Å; Y342-F454 HydrophobicContact CE2-CB 3.95Å; Y342-F454 HydrophobicContact CE2-CD1 4.35Å; Y342-F454 AromaticContact CE2-CD2 3.78Å; Y342-F454 HydrophobicContact CE2-CD2 3.78Å; Y342-F454 HydrophobicContact CE2-CE2 4.44Å; Y342-F454 AromaticContact CE2-CG 3.73Å; Y342-F454 HydrophobicContact CE2-CG 3.73Å; M343-F454 HydrophobicContact CB-CD1 4.26Å; M343-F454 HydrophobicContact CB-CE1 3.85Å; M343-F454 HydrophobicContact CB-CZ 4.02Å; M343-F454 HydrophobicContact CG-CE1 3.64Å; M343-F454 HydrophobicContact CG-CE2 4.31Å; M343-F454 HydrophobicContact CG-CZ 3.52Å; M343-F454 HydrophobicContact SD-CZ 4.28Å; V346-F454 HydrophobicContact CB-CD1 4Å; V346-F454 HydrophobicContact CB-CE1 4.22Å; V346-F454 HydrophobicContact CG1-CD1 3.96Å; V346-F454 HydrophobicContact CG1-CE1 4.03Å; V346-F454 HydrophobicContact CG2-CD1 4.14Å; F432-F454 HydrophobicContact CE1-CZ 4.26Å; M436-F454 HydrophobicContact CG-CE2 4.01Å; M436-F454 HydrophobicContact CG-CZ 4.33Å; M436-F454 HydrophobicContact SD-CE2 4.01Å; M436-F454 HydrophobicContact SD-CZ 4.29Å; F443-F454 AromaticContact CD1-CD2 3.87Å; F443-F454 HydrophobicContact CD1-CD2 3.87Å; F443-F454 HydrophobicContact CD2-CD2 4.41Å; F443-F454 HydrophobicContact CE1-CB 3.89Å; F443-F454 AromaticContact CE1-CD2 3.66Å; F443-F454 HydrophobicContact CE1-CD2 3.66Å; F443-F454 HydrophobicContact CE1-CG 4.26Å; F443-F454 HydrophobicContact CE2-CD2 4.24Å; F443-F454 HydrophobicContact CG-CD2 4.27Å; F443-F454 HydrophobicContact CZ-CB 4.09Å; F443-F454 AromaticContact CZ-CD2 3.87Å; F443-F454 HydrophobicContact CZ-CD2 3.87Å; F443-F454 HydrophobicContact CZ-CG 4.5Å; D450-F454 WeakPolarHBondContact O-CB 3.32Å; D450-F454 PolarHBondContact O-N 3.21Å; C452-F454 VanDerWaalsContact C-N 3.34Å; C452-F454 PolarHBondContact O-N 3.43Å; F454-Y457 PolarHBondContact O-N 2.89Å; F454-L458 HydrophobicContact CE1-CB 4.5Å; F454-L458 HydrophobicContact CE1-CD2 3.92Å; F454-L458 HydrophobicContact CZ-CB 4.42Å; F454-L458 HydrophobicContact CZ-CD2 4.07Å; F454-L458 WeakPolarHBondContact O-CB 3.46Å; F454-L458 PolarHBondContact O-N 2.93Å |
| 455 | L | 97.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.5 | -49.1 | 177.4 | 172 | 59.9 | 0 | 0 | 0 | 111.5 | V346 L350 A451 C452 E453 Y457 L458 L459 I505 F905 | V346-L455 HydrophobicContact CG1-CB 4.05Å; V346-L455 HydrophobicContact CG1-CD1 3.86Å; V346-L455 HydrophobicContact CG1-CG 4.5Å; V346-L455 HydrophobicContact CG2-CB 4.15Å; L350-L455 HydrophobicContact CD1-CD1 4.17Å; L350-L455 HydrophobicContact CD2-CD1 3.86Å; L350-L455 HydrophobicContact CG-CD1 4.23Å; A451-L455 WeakPolarHBondContact O-CB 3.33Å; A451-L455 PolarHBondContact O-N 3.38Å; C452-L455 WeakPolarHBondContact O-CB 3.39Å; C452-L455 PolarHBondContact O-N 3.4Å; C452-L455 VanDerWaalsContact O-N 3.17Å; E453-L455 VanDerWaalsContact C-N 3.34Å; E453-L455 PolarHBondContact O-N 3.18Å; L455-Y457 PolarHBondContact O-N 3.31Å; L455-L458 PolarHBondContact O-N 3.13Å; L455-L459 HydrophobicContact CD1-CD1 3.84Å; L455-L459 HydrophobicContact CD1-CD2 4.37Å; L455-L459 HydrophobicContact CD1-CG 3.9Å; L455-L459 HydrophobicContact CG-CD1 4.2Å; L455-L459 VanDerWaalsContact O-CG 3.29Å; L455-L459 WeakPolarHBondContact O-CG 3.33Å; L455-L459 PolarHBondContact O-N 3.46Å; L455-I505 HydrophobicContact CB-CD1 4.45Å; L455-I505 HydrophobicContact CD2-CD1 3.76Å; L455-I505 HydrophobicContact CD2-CG1 4.4Å; L455-I505 HydrophobicContact CG-CD1 4.11Å; L455-F905 HydrophobicContact CD2-CE1 3.91Å; L455-F905 HydrophobicContact CD2-CZ 3.89Å |
| 456 | I | 95.7 | Very high | 88.7 | Confident | 74 Ų | 74 | 30.9 Ų | 30.9 | 38% | 0.379 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.7 | -50.2 | 178.8 | -65.4 | 169.3 | 0 | 0 | 0 | 110 | C452 E453 L458 L459 D460 W504 I505 | C452-I456 WeakPolarHBondContact O-CG1 3.23Å; C452-I456 PolarHBondContact O-N 3.12Å; E453-I456 PolarHBondContact O-N 2.81Å; I456-L458 VanDerWaalsContact C-N 3.35Å; I456-L458 PolarHBondContact O-N 3.39Å; I456-L459 PolarHBondContact O-N 3.4Å; I456-D460 WeakPolarHBondContact O-CB 3.46Å; I456-D460 PolarHBondContact O-N 2.67Å; I456-W504 HydrophobicContact CG2-CE3 4.5Å; I456-I505 HydrophobicContact CD1-CD1 3.95Å; I456-I505 HydrophobicContact CG1-CD1 3.49Å; I456-I505 VanDerWaalsContact CG1-CD1 3.49Å; I456-I505 HydrophobicContact CG1-CG1 4.15Å |
| 457 | Y | 95.5 | Very high | 88.8 | Confident | 41 Ų | 41 | 34.4 Ų | 34.4 | 16% | 0.161 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 179.6 | 171.4 | -98.7 | 0 | 0 | 0 | 112.3 | M436 H439 N440 F443 E453 F454 L455 D460 L461 | M436-Y457 HydrophobicContact SD-CE1 4.32Å; H439-Y457 VanDerWaalsContact C-OH 3.25Å; H439-Y457 WeakPolarHBondContact CB-OH 3.35Å; H439-Y457 PolarHBondContact O-OH 3.49Å; N440-Y457 HydrophobicContact CB-CE1 4.03Å; N440-Y457 HydrophobicContact CB-CE2 3.66Å; N440-Y457 WeakPolarHBondContact CB-OH 3.44Å; N440-Y457 WeakPolarHBondContact ND2-CD2 3.29Å; N440-Y457 VanDerWaalsContact ND2-CE2 3.28Å; N440-Y457 WeakPolarHBondContact ND2-CE2 3.36Å; F443-Y457 AromaticContact CD2-CD1 3.66Å; F443-Y457 HydrophobicContact CD2-CD1 3.66Å; F443-Y457 AromaticContact CD2-CE1 3.7Å; F443-Y457 HydrophobicContact CD2-CE1 3.7Å; F443-Y457 HydrophobicContact CD2-CG 4.29Å; F443-Y457 AromaticContact CE2-CD1 3.21Å; F443-Y457 HydrophobicContact CE2-CD1 3.21Å; F443-Y457 HydrophobicContact CE2-CD2 4.2Å; F443-Y457 AromaticContact CE2-CE1 3.74Å; F443-Y457 HydrophobicContact CE2-CE1 3.74Å; F443-Y457 AromaticContact CE2-CG 3.47Å; F443-Y457 HydrophobicContact CE2-CG 3.47Å; F443-Y457 VanDerWaalsContact CE2-CG 3.47Å; F443-Y457 HydrophobicContact CZ-CD1 4.18Å; F443-Y457 HydrophobicContact CZ-CG 4.3Å; E453-Y457 WeakPolarHBondContact O-CB 3.4Å; E453-Y457 PolarHBondContact O-N 3.37Å; F454-Y457 PolarHBondContact O-N 2.89Å; L455-Y457 PolarHBondContact O-N 3.31Å; Y457-D460 PolarHBondContact O-N 3.35Å; Y457-L461 HydrophobicContact CE1-CD2 4.01Å; Y457-L461 WeakPolarHBondContact O-CB 3.24Å; Y457-L461 PolarHBondContact O-N 2.88Å |
| 458 | L | 96.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 179.5 | 177.1 | 59.7 | 0 | 0 | 0 | 111.5 | V346 L347 L350 F392 F432 M436 F454 L455 I456 L461 L462 | V346-L458 HydrophobicContact CG1-CD2 4.44Å; L347-L458 HydrophobicContact CD2-CD2 4.04Å; L350-L458 HydrophobicContact CD1-CD2 3.68Å; F392-L458 HydrophobicContact CE2-CD2 4.11Å; F432-L458 HydrophobicContact CE2-CD1 4.34Å; F432-L458 HydrophobicContact CZ-CD1 3.77Å; F432-L458 HydrophobicContact CZ-CD2 4.38Å; M436-L458 HydrophobicContact SD-CD1 4.04Å; F454-L458 HydrophobicContact CE1-CB 4.5Å; F454-L458 HydrophobicContact CE1-CD2 3.92Å; F454-L458 HydrophobicContact CZ-CB 4.42Å; F454-L458 HydrophobicContact CZ-CD2 4.07Å; F454-L458 WeakPolarHBondContact O-CB 3.46Å; F454-L458 PolarHBondContact O-N 2.93Å; L455-L458 PolarHBondContact O-N 3.13Å; I456-L458 VanDerWaalsContact C-N 3.35Å; I456-L458 PolarHBondContact O-N 3.39Å; L458-L461 PolarHBondContact O-N 3.32Å; L458-L462 HydrophobicContact CD1-CD1 3.81Å; L458-L462 HydrophobicContact CD1-CD2 4.47Å; L458-L462 HydrophobicContact CD1-CG 3.9Å; L458-L462 HydrophobicContact CG-CD1 3.94Å; L458-L462 HydrophobicContact CG-CG 4.41Å; L458-L462 WeakPolarHBondContact O-CB 3.29Å; L458-L462 VanDerWaalsContact O-CG 3.23Å; L458-L462 WeakPolarHBondContact O-CG 3.22Å; L458-L462 PolarHBondContact O-N 3.27Å |
| 459 | L | 95.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 178.7 | -68.2 | 178.2 | 0 | 0 | 0 | 111.8 | L350 F356 L455 I456 E463 W504 | L350-L459 HydrophobicContact CD2-CD2 4.17Å; F356-L459 HydrophobicContact CE1-CD2 4.15Å; F356-L459 HydrophobicContact CZ-CD2 3.65Å; L455-L459 HydrophobicContact CD1-CD1 3.84Å; L455-L459 HydrophobicContact CD1-CD2 4.37Å; L455-L459 HydrophobicContact CD1-CG 3.9Å; L455-L459 HydrophobicContact CG-CD1 4.2Å; L455-L459 VanDerWaalsContact O-CG 3.29Å; L455-L459 WeakPolarHBondContact O-CG 3.33Å; L455-L459 PolarHBondContact O-N 3.46Å; I456-L459 PolarHBondContact O-N 3.4Å; L459-E463 VanDerWaalsContact O-CB 3.32Å; L459-E463 WeakPolarHBondContact O-CB 3.4Å; L459-E463 PolarHBondContact O-N 3.47Å; L459-W504 HydrophobicContact CB-CD2 4.15Å; L459-W504 HydrophobicContact CB-CE3 4.22Å; L459-W504 HydrophobicContact CB-CH2 4.29Å; L459-W504 HydrophobicContact CB-CZ2 4.21Å; L459-W504 HydrophobicContact CB-CZ3 4.3Å; L459-W504 HydrophobicContact CD1-CB 3.91Å; L459-W504 HydrophobicContact CD1-CD2 3.93Å; L459-W504 HydrophobicContact CD1-CE3 4.44Å; L459-W504 HydrophobicContact CD1-CG 3.69Å |
| 460 | D | 92.8 | Very high | 86.2 | Confident | 59 Ų | 59 | 47.9 Ų | 47.9 | 32% | 0.316 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64 | -48.5 | 176.3 | -178.7 | 50.6 | 0 | 0 | 0 | 111.6 | I456 Y457 L462 E463 Q464 W504 | I456-D460 WeakPolarHBondContact O-CB 3.46Å; I456-D460 PolarHBondContact O-N 2.67Å; Y457-D460 PolarHBondContact O-N 3.35Å; D460-L462 PolarHBondContact O-N 2.99Å; D460-E463 PolarHBondContact O-N 3.12Å; D460-Q464 WeakPolarHBondContact O-CB 3.16Å; D460-Q464 VanDerWaalsContact O-CG 3.25Å; D460-Q464 WeakPolarHBondContact O-CG 3.41Å; D460-Q464 PolarHBondContact O-N 2.78Å; D460-Q464 PolarHBondContact OD1-NE2 3.01Å; D460-Q464 PolarHBondContact OD2-NE2 2.87Å; D460-W504 HydrophobicContact CB-CH2 4.12Å; D460-W504 HydrophobicContact CB-CZ3 4.14Å |
| 461 | L | 92.1 | Very high | 84.3 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 177.5 | 178.1 | 63.8 | 0 | 0 | 0 | 112.2 | I388 M436 H439 Y457 L458 K465 | I388-L461 HydrophobicContact CG1-CD2 4.48Å; M436-L461 HydrophobicContact CE-CD2 3.59Å; M436-L461 HydrophobicContact SD-CD2 4.25Å; H439-L461 HydrophobicContact CB-CD1 4.41Å; H439-L461 HydrophobicContact CB-CD2 4.21Å; Y457-L461 HydrophobicContact CE1-CD2 4.01Å; Y457-L461 WeakPolarHBondContact O-CB 3.24Å; Y457-L461 PolarHBondContact O-N 2.88Å; L458-L461 PolarHBondContact O-N 3.32Å; L461-K465 HydrophobicContact CD1-CG 4.17Å; L461-K465 WeakPolarHBondContact O-CB 3.49Å; L461-K465 WeakPolarHBondContact O-CG 3.34Å; L461-K465 PolarHBondContact O-N 3.01Å; L461-K465 VanDerWaalsContact O-N 3.13Å |
| 462 | L | 91.7 | Very high | 82.4 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 179.2 | -69.8 | 174.2 | 0 | 0 | 0 | 111.8 | I388 F392 L458 D460 K465 A466 H475 | I388-L462 HydrophobicContact CG1-CD2 4.16Å; F392-L462 HydrophobicContact CB-CD2 4.21Å; F392-L462 HydrophobicContact CD1-CD1 3.85Å; F392-L462 HydrophobicContact CD1-CD2 4.1Å; F392-L462 HydrophobicContact CD2-CD1 4.33Å; F392-L462 HydrophobicContact CE1-CD1 3.6Å; F392-L462 HydrophobicContact CE2-CD1 4.1Å; F392-L462 HydrophobicContact CG-CD1 4.22Å; F392-L462 HydrophobicContact CG-CD2 4.07Å; F392-L462 HydrophobicContact CZ-CD1 3.73Å; L458-L462 HydrophobicContact CD1-CD1 3.81Å; L458-L462 HydrophobicContact CD1-CD2 4.47Å; L458-L462 HydrophobicContact CD1-CG 3.9Å; L458-L462 HydrophobicContact CG-CD1 3.94Å; L458-L462 HydrophobicContact CG-CG 4.41Å; L458-L462 WeakPolarHBondContact O-CB 3.29Å; L458-L462 VanDerWaalsContact O-CG 3.23Å; L458-L462 WeakPolarHBondContact O-CG 3.22Å; L458-L462 PolarHBondContact O-N 3.27Å; D460-L462 PolarHBondContact O-N 2.99Å; L462-K465 PolarHBondContact O-N 3.37Å; L462-A466 VanDerWaalsContact O-CB 3.29Å; L462-A466 WeakPolarHBondContact O-CB 3.34Å; L462-A466 PolarHBondContact O-N 3.47Å; L462-H475 WeakPolarHBondContact CB-NE2 3.2Å |
| 463 | E | 89 | Confident | 81.1 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.8 | -47.5 | 177.8 | -179.1 | 170.9 | -129 | 0 | 0 | 111.5 | L459 D460 K465 A466 N467 R481 W504 | L459-E463 VanDerWaalsContact O-CB 3.32Å; L459-E463 WeakPolarHBondContact O-CB 3.4Å; L459-E463 PolarHBondContact O-N 3.47Å; D460-E463 PolarHBondContact O-N 3.12Å; E463-K465 VanDerWaalsContact C-N 3.29Å; E463-K465 PolarHBondContact O-N 2.98Å; E463-A466 PolarHBondContact O-N 3.48Å; E463-N467 WeakPolarHBondContact O-CB 3.41Å; E463-N467 VanDerWaalsContact O-CG 3.25Å; E463-N467 PolarHBondContact O-N 3.41Å; E463-N467 PolarHBondContact O-ND2 2.85Å; E463-R481 VanDerWaalsContact CD-NH1 3.31Å; E463-R481 IonicContact OE1-NH1 3.76Å; E463-R481 PolarHBondContact OE1-NH1 3.38Å; E463-R481 VanDerWaalsContact OE1-NH1 3.07Å; E463-R481 IonicContact OE2-CZ 2.71Å; E463-R481 IonicContact OE2-NH1 3.22Å; E463-R481 PolarHBondContact OE2-NH1 3.07Å; E463-W504 VanDerWaalsContact OE2-CZ2 3.24Å; E463-W504 WeakPolarHBondContact OE2-CZ2 3.24Å |
| 464 | Q | 87.1 | Confident | 80.4 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 41% | 0.407 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 177.7 | -72.7 | 177.9 | 17.2 | 0 | 0 | 112.2 | D460 K468 | D460-Q464 WeakPolarHBondContact O-CB 3.16Å; D460-Q464 VanDerWaalsContact O-CG 3.25Å; D460-Q464 WeakPolarHBondContact O-CG 3.41Å; D460-Q464 PolarHBondContact O-N 2.78Å; D460-Q464 PolarHBondContact OD1-NE2 3.01Å; D460-Q464 PolarHBondContact OD2-NE2 2.87Å; Q464-K468 WeakPolarHBondContact O-CG 3.5Å; Q464-K468 PolarHBondContact O-N 2.97Å |
| 465 | K | 83.3 | Confident | 80.1 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 30% | 0.296 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -74.1 | -38.4 | -179.3 | -67.1 | -76.8 | -178.5 | -177.4 | 0 | 111.8 | I388 L461 L462 E463 K468 Q469 | I388-K465 HydrophobicContact CG2-CB 3.99Å; I388-K465 HydrophobicContact CG2-CD 4.26Å; I388-K465 HydrophobicContact CG2-CG 3.86Å; L461-K465 HydrophobicContact CD1-CG 4.17Å; L461-K465 WeakPolarHBondContact O-CB 3.49Å; L461-K465 WeakPolarHBondContact O-CG 3.34Å; L461-K465 PolarHBondContact O-N 3.01Å; L461-K465 VanDerWaalsContact O-N 3.13Å; L462-K465 PolarHBondContact O-N 3.37Å; E463-K465 VanDerWaalsContact C-N 3.29Å; E463-K465 PolarHBondContact O-N 2.98Å; K465-K468 PolarHBondContact O-N 3.48Å; K465-Q469 WeakPolarHBondContact O-CG 2.95Å; K465-Q469 PolarHBondContact O-N 3.21Å |
| 466 | A | 79.2 | Confident | 79.8 | Confident | 6 Ų | 6 | 60 Ų | 60 | 5% | 0.05 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L462 E463 K468 Q469 | L462-A466 VanDerWaalsContact O-CB 3.29Å; L462-A466 WeakPolarHBondContact O-CB 3.34Å; L462-A466 PolarHBondContact O-N 3.47Å; E463-A466 PolarHBondContact O-N 3.48Å; A466-K468 VanDerWaalsContact C-N 3.33Å; A466-K468 PolarHBondContact O-N 2.89Å; A466-Q469 PolarHBondContact O-N 3.33Å |
| 467 | N | 69.7 | Low | 79.7 | Confident | 108 Ų | 108 | 56.5 Ų | 56.5 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.1 | -33.8 | 179.3 | -72.8 | -17.9 | 0 | 0 | 0 | 112.6 | E463 Q469 | E463-N467 WeakPolarHBondContact O-CB 3.41Å; E463-N467 VanDerWaalsContact O-CG 3.25Å; E463-N467 PolarHBondContact O-N 3.41Å; E463-N467 PolarHBondContact O-ND2 2.85Å; N467-Q469 VanDerWaalsContact C-N 3.27Å; N467-Q469 PolarHBondContact O-N 3Å |
| 468 | K | 65 | Low | 79.5 | Confident | 161 Ų | 161 | 55.1 Ų | 55.1 | 70% | 0.7 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -68.7 | -23.3 | 175.3 | -74.6 | 178.5 | -178.7 | -175.3 | 0 | 113.3 | Q464 K465 A466 E470 | Q464-K468 WeakPolarHBondContact O-CG 3.5Å; Q464-K468 PolarHBondContact O-N 2.97Å; K465-K468 PolarHBondContact O-N 3.48Å; A466-K468 VanDerWaalsContact C-N 3.33Å; A466-K468 PolarHBondContact O-N 2.89Å; K468-E470 PolarHBondContact O-N 3Å |
| 469 | Q | 59.1 | Low | 79.4 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 22% | 0.22 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 19 | -174.6 | -70.3 | 176.3 | -32.9 | 0 | 0 | 113.6 | E370 H387 K465 A466 N467 H471 | E370-Q469 PolarHBondContact OE1-NE2 2.81Å; E370-Q469 PolarHBondContact OE1-OE1 3.42Å; H387-Q469 PolarHBondContact NE2-NE2 2.83Å; K465-Q469 WeakPolarHBondContact O-CG 2.95Å; K465-Q469 PolarHBondContact O-N 3.21Å; A466-Q469 PolarHBondContact O-N 3.33Å; N467-Q469 VanDerWaalsContact C-N 3.27Å; N467-Q469 PolarHBondContact O-N 3Å; Q469-H471 PolarHBondContact O-N 2.86Å; Q469-H471 PolarHBondContact O-ND1 2.96Å |
| 470 | E | 50.3 | Low | 79.4 | Confident | 185 Ų | 185 | 56.2 Ų | 56.2 | 86% | 0.864 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 30.5 | 174.1 | -65.8 | -164.6 | 160.7 | 0 | 0 | 116.2 | K468 G472 | K468-E470 PolarHBondContact O-N 3Å; E470-G472 VanDerWaalsContact C-N 3.26Å; E470-G472 PolarHBondContact O-N 3.43Å; E470-G472 VanDerWaalsContact O-N 3.15Å |
| 471 | H | 52.2 | Low | 79.5 | Confident | 67 Ų | 67 | 55.2 Ų | 55.2 | 31% | 0.31 | 29% | 0.288 | S | S | . | . | trans | -73.4 | -9.2 | -171.6 | -87.9 | 91.4 | 0 | 0 | 0 | 115.6 | E370 Q469 K473 | E370-H471 IonicContact OE1-CE1 2.65Å; E370-H471 PolarHBondContact OE1-CE1 3.19Å; E370-H471 IonicContact OE2-CE1 3.25Å; E370-H471 PolarHBondContact OE2-CE1 2.96Å; E370-H471 IonicContact OE2-NE2 3.05Å; Q469-H471 PolarHBondContact O-N 2.86Å; Q469-H471 PolarHBondContact O-ND1 2.96Å; H471-K473 PolarHBondContact O-N 3.32Å | ||
| 472 | G | 53.1 | Low | 79.7 | Confident | 88 Ų | 88 | 54.7 Ų | 54.7 | 91% | 0.907 | 29% | 0.286 | S | S | * | . | trans | 57.4 | -2.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E470 | E470-G472 VanDerWaalsContact C-N 3.26Å; E470-G472 PolarHBondContact O-N 3.43Å; E470-G472 VanDerWaalsContact O-N 3.15Å | ||
| 473 | K | 68.1 | Low | 79.9 | Confident | 123 Ų | 123 | 54.6 Ų | 54.6 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -93.4 | 136.1 | 179.2 | -70.1 | 177.8 | -177 | 175.4 | 0 | 108.6 | Y359 H471 H475 | Y359-K473 HydrophobicContact CE2-CB 3.91Å; Y359-K473 HydrophobicContact CE2-CD 4.16Å; H471-K473 PolarHBondContact O-N 3.32Å; K473-H475 PolarHBondContact O-N 3.15Å |
| 474 | V | 79.8 | Confident | 80.2 | Confident | 103 Ų | 103 | 54 Ų | 54 | 62% | 0.624 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 122.5 | 173.8 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | N478 | V474-N478 HydrophobicContact CG1-CB 3.83Å; V474-N478 WeakPolarHBondContact CG1-ND2 3.32Å |
| 475 | H | 89.2 | Confident | 80.7 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 138.4 | 177.4 | -176.5 | -96.3 | 0 | 0 | 0 | 110.7 | Y360 L462 K473 S477 N478 | Y360-H475 PolarHBondContact OH-NE2 3.19Å; Y360-H475 VanDerWaalsContact OH-NE2 3.16Å; L462-H475 WeakPolarHBondContact CB-NE2 3.2Å; K473-H475 PolarHBondContact O-N 3.15Å; H475-S477 PolarHBondContact CE1-OG 2.62Å; H475-S477 VanDerWaalsContact ND1-CB 3.27Å; H475-S477 WeakPolarHBondContact ND1-CB 3.33Å; H475-S477 PolarHBondContact ND1-N 3.09Å; H475-S477 VanDerWaalsContact ND1-N 3.16Å; H475-S477 PolarHBondContact ND1-OG 2.92Å; H475-S477 PolarHBondContact O-N 3.24Å; H475-S477 VanDerWaalsContact O-N 3.13Å; H475-N478 WeakPolarHBondContact O-CB 3.23Å; H475-N478 PolarHBondContact O-N 3.02Å; H475-N478 VanDerWaalsContact O-N 3.13Å; H475-N478 PolarHBondContact O-ND2 3.04Å |
| 476 | P | 91.7 | Very high | 81.3 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -61 | -23.8 | -174.6 | 23 | -35.7 | 0 | 0 | 0 | 114.1 | Q355 F356 Y359 Y360 N478 V479 | Q355-P476 HydrophobicContact CB-CB 4.09Å; F356-P476 HydrophobicContact CD1-CB 4.34Å; F356-P476 HydrophobicContact CD1-CG 4.08Å; F356-P476 HydrophobicContact CD2-CB 4.02Å; F356-P476 HydrophobicContact CE1-CB 4.44Å; F356-P476 HydrophobicContact CE1-CG 4.11Å; F356-P476 HydrophobicContact CE2-CB 4.12Å; F356-P476 HydrophobicContact CG-CB 4.13Å; F356-P476 HydrophobicContact CG-CG 4.35Å; F356-P476 HydrophobicContact CZ-CB 4.32Å; F356-P476 HydrophobicContact CZ-CG 4.39Å; Y359-P476 HydrophobicContact CD1-CG 4.02Å; Y359-P476 HydrophobicContact CG-CG 3.97Å; Y360-P476 HydrophobicContact CD2-CG 4.25Å; Y360-P476 HydrophobicContact CE2-CG 3.75Å; P476-N478 PolarHBondContact O-N 3.22Å; P476-N478 VanDerWaalsContact O-N 3.12Å; P476-V479 WeakPolarHBondContact O-CG2 3.35Å; P476-V479 PolarHBondContact O-N 3.14Å |
| 477 | S | 93 | Very high | 82.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -60.4 | -22.1 | 176.4 | 70.3 | 0 | 0 | 0 | 0 | 113.8 | H475 V479 M480 W504 | H475-S477 PolarHBondContact CE1-OG 2.62Å; H475-S477 VanDerWaalsContact ND1-CB 3.27Å; H475-S477 WeakPolarHBondContact ND1-CB 3.33Å; H475-S477 PolarHBondContact ND1-N 3.09Å; H475-S477 VanDerWaalsContact ND1-N 3.16Å; H475-S477 PolarHBondContact ND1-OG 2.92Å; H475-S477 PolarHBondContact O-N 3.24Å; H475-S477 VanDerWaalsContact O-N 3.13Å; S477-V479 PolarHBondContact O-N 3.47Å; S477-M480 WeakPolarHBondContact O-CB 3.28Å; S477-M480 PolarHBondContact O-N 3.3Å; S477-W504 PolarHBondContact O-NE1 3Å |
| 478 | N | 91.8 | Very high | 83.3 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -64.5 | -22 | 179.5 | -75 | -48.4 | 0 | 0 | 0 | 113.3 | V474 H475 P476 M480 R481 | V474-N478 HydrophobicContact CG1-CB 3.83Å; V474-N478 WeakPolarHBondContact CG1-ND2 3.32Å; H475-N478 WeakPolarHBondContact O-CB 3.23Å; H475-N478 PolarHBondContact O-N 3.02Å; H475-N478 VanDerWaalsContact O-N 3.13Å; H475-N478 PolarHBondContact O-ND2 3.04Å; P476-N478 PolarHBondContact O-N 3.22Å; P476-N478 VanDerWaalsContact O-N 3.12Å; N478-M480 PolarHBondContact O-N 3.21Å; N478-R481 PolarHBondContact O-N 3.01Å |
| 479 | V | 93.4 | Very high | 84.8 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 13% | 0.127 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -68.4 | -13.7 | 174.3 | -52.8 | 0 | 0 | 0 | 0 | 113.2 | I353 Q355 P476 S477 P590 N591 Y592 | I353-V479 HydrophobicContact CG2-CG2 4.16Å; Q355-V479 HydrophobicContact CB-CG1 4.23Å; Q355-V479 HydrophobicContact CG-CG1 3.85Å; P476-V479 WeakPolarHBondContact O-CG2 3.35Å; P476-V479 PolarHBondContact O-N 3.14Å; S477-V479 PolarHBondContact O-N 3.47Å; V479-P590 WeakPolarHBondContact O-CB 3.36Å; V479-N591 HydrophobicContact CB-CB 4.38Å; V479-N591 PolarHBondContact O-N 2.78Å; V479-N591 VanDerWaalsContact O-N 3.14Å; V479-Y592 HydrophobicContact CB-CD2 4.16Å; V479-Y592 HydrophobicContact CG2-CD2 3.69Å; V479-Y592 HydrophobicContact CG2-CE2 4.28Å; V479-Y592 PolarHBondContact O-N 3.14Å |
| 480 | M | 95.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -104.3 | -6.8 | 176.8 | -61.7 | 174.6 | 67 | 0 | 0 | 113.1 | L350 I353 F356 S477 N478 Y592 C594 F905 | L350-M480 HydrophobicContact CD2-SD 4.4Å; I353-M480 HydrophobicContact CD1-CE 4.45Å; I353-M480 HydrophobicContact CD1-CG 4.28Å; I353-M480 HydrophobicContact CD1-SD 3.61Å; F356-M480 HydrophobicContact CE2-SD 4.16Å; S477-M480 WeakPolarHBondContact O-CB 3.28Å; S477-M480 PolarHBondContact O-N 3.3Å; N478-M480 PolarHBondContact O-N 3.21Å; M480-Y592 WeakPolarHBondContact CA-O 3.37Å; M480-C594 HydrophobicContact CE-CB 4.03Å; M480-F905 HydrophobicContact CE-CD1 4.33Å; M480-F905 HydrophobicContact CE-CE1 4.19Å |
| 481 | R | 95.5 | Very high | 88.5 | Confident | 38 Ų | 38 | 31.6 Ų | 31.6 | 14% | 0.143 | 18% | 0.182 | C | C | . | . | trans | -85 | 130.3 | -169.4 | -162.4 | 174.2 | -151.8 | 124.2 | 11.1 | 111.5 | E463 N478 H502 E503 N588 L823 | E463-R481 VanDerWaalsContact CD-NH1 3.31Å; E463-R481 IonicContact OE1-NH1 3.76Å; E463-R481 PolarHBondContact OE1-NH1 3.38Å; E463-R481 VanDerWaalsContact OE1-NH1 3.07Å; E463-R481 IonicContact OE2-CZ 2.71Å; E463-R481 IonicContact OE2-NH1 3.22Å; E463-R481 PolarHBondContact OE2-NH1 3.07Å; N478-R481 PolarHBondContact O-N 3.01Å; R481-H502 HydrophobicContact CG-CB 4.23Å; R481-E503 WeakPolarHBondContact CA-O 3.22Å; R481-N588 PolarHBondContact O-ND2 3.46Å; R481-L823 HydrophobicContact CB-CD2 4Å; R481-L823 HydrophobicContact CG-CD2 4.11Å | ||
| 482 | F | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 150 | 175.4 | 60.6 | -91.4 | 0 | 0 | 0 | 111 | V484 H502 E503 L506 L586 N588 P590 L593 | F482-V484 HydrophobicContact CD2-CG2 3.79Å; F482-V484 HydrophobicContact CE2-CG2 3.49Å; F482-V484 VanDerWaalsContact CE2-CG2 3.49Å; F482-H502 CarbonylContact O-C 3.59Å; F482-H502 WeakPolarHBondContact O-CA 3.17Å; F482-E503 HydrophobicContact CD2-CB 4.48Å; F482-E503 HydrophobicContact CE1-CB 4.42Å; F482-E503 HydrophobicContact CE2-CB 3.82Å; F482-E503 HydrophobicContact CZ-CB 3.76Å; F482-E503 PolarHBondContact N-O 3.17Å; F482-E503 PolarHBondContact O-N 2.75Å; F482-L506 HydrophobicContact CE1-CB 4.27Å; F482-L506 HydrophobicContact CE2-CB 4.44Å; F482-L506 HydrophobicContact CE2-CD1 4.26Å; F482-L506 HydrophobicContact CZ-CB 3.75Å; F482-L506 HydrophobicContact CZ-CD1 4.36Å; F482-L586 HydrophobicContact CD2-CD2 3.46Å; F482-L586 VanDerWaalsContact CD2-CD2 3.46Å; F482-L586 HydrophobicContact CE2-CD2 3.84Å; F482-L586 HydrophobicContact CG-CD2 4.31Å; F482-N588 WeakPolarHBondContact CA-OD1 3.29Å; F482-P590 HydrophobicContact CB-CG 4.04Å; F482-P590 HydrophobicContact CD1-CG 4.29Å; F482-L593 HydrophobicContact CD1-CD1 3.8Å; F482-L593 HydrophobicContact CE1-CD1 3.81Å |
| 483 | G | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 136.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D501 L586 T587 N588 | G483-D501 CarbonylContact C-O 3.57Å; G483-D501 VanDerWaalsContact CA-O 3.29Å; G483-D501 WeakPolarHBondContact CA-O 3.29Å; G483-L586 WeakPolarHBondContact O-CA 3.29Å; G483-T587 WeakPolarHBondContact CA-OG1 3.35Å; G483-T587 PolarHBondContact O-N 2.95Å; G483-T587 PolarHBondContact O-OG1 3.3Å; G483-N588 PolarHBondContact N-OD1 2.95Å |
| 484 | V | 96.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 114.9 | 171.1 | -179 | 0 | 0 | 0 | 0 | 107.5 | F482 T500 D501 E503 W557 N584 L586 | F482-V484 HydrophobicContact CD2-CG2 3.79Å; F482-V484 HydrophobicContact CE2-CG2 3.49Å; F482-V484 VanDerWaalsContact CE2-CG2 3.49Å; V484-T500 VanDerWaalsContact O-CA 3.31Å; V484-T500 WeakPolarHBondContact O-CA 3.46Å; V484-D501 PolarHBondContact N-O 2.95Å; V484-D501 PolarHBondContact O-N 3.36Å; V484-E503 HydrophobicContact CG2-CG 4.33Å; V484-W557 HydrophobicContact CG1-CH2 4.07Å; V484-W557 HydrophobicContact CG1-CZ2 3.83Å; V484-W557 HydrophobicContact CG2-CZ2 4.21Å; V484-N584 HydrophobicContact CG1-CB 4.18Å; V484-L586 HydrophobicContact CG2-CD2 4.32Å |
| 485 | E | 96.1 | Very high | 94 | Very high | 12 Ų | 12 | 28.1 Ų | 28.1 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 114.8 | 168.9 | -179.4 | 179.3 | 92 | 0 | 0 | 110.2 | Y498 K499 N584 R585 T587 R643 | E485-Y498 HydrophobicContact CG-CD1 3.87Å; E485-K499 CarbonylContact C-O 3.51Å; E485-K499 WeakPolarHBondContact CA-O 3.15Å; E485-N584 CarbonylContact O-C 3.6Å; E485-N584 WeakPolarHBondContact O-CA 3.45Å; E485-R585 PolarHBondContact N-O 2.8Å; E485-R585 PolarHBondContact O-N 3.18Å; E485-T587 HydrophobicContact CB-CG2 3.81Å; E485-R643 VanDerWaalsContact CD-NE 3.26Å; E485-R643 IonicContact OE1-CZ 3.99Å; E485-R643 VanDerWaalsContact OE1-CZ 3.25Å; E485-R643 IonicContact OE1-NE 3.78Å; E485-R643 PolarHBondContact OE1-NE 3Å; E485-R643 VanDerWaalsContact OE1-NE 3.15Å; E485-R643 IonicContact OE1-NH2 2.83Å; E485-R643 PolarHBondContact OE1-NH2 3.07Å; E485-R643 IonicContact OE2-CZ 3.1Å; E485-R643 IonicContact OE2-NE 3.31Å; E485-R643 PolarHBondContact OE2-NE 3.18Å; E485-R643 IonicContact OE2-NH2 3.89Å; E485-R643 PolarHBondContact OE2-NH2 3.28Å |
| 486 | E | 96.3 | Very high | 94.3 | Very high | 56 Ų | 56 | 28 Ų | 28 | 26% | 0.262 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 125.3 | 165.7 | -174 | -179.5 | 112.1 | 0 | 0 | 109.2 | Y498 K499 R582 | E486-Y498 WeakPolarHBondContact O-CA 3.31Å; E486-K499 HydrophobicContact CB-CB 4.47Å; E486-K499 PolarHBondContact N-O 3.1Å; E486-K499 PolarHBondContact O-N 3.38Å; E486-R582 HydrophobicContact CG-CG 3.89Å; E486-R582 WeakPolarHBondContact OE2-CD 3.3Å; E486-R582 IonicContact OE2-NH1 3.84Å |
| 487 | R | 95.8 | Very high | 94.4 | Very high | 41 Ų | 41 | 29.8 Ų | 29.8 | 16% | 0.155 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.1 | 169.4 | 179.2 | -175.8 | 174.3 | -77.3 | 3.9 | 109 | Y498 R582 S583 E648 | R487-Y498 HydrophobicContact CB-CD1 3.99Å; R487-Y498 HydrophobicContact CB-CE1 3.7Å; R487-Y498 HydrophobicContact CG-CD1 4.2Å; R487-Y498 HydrophobicContact CG-CE1 3.6Å; R487-R582 CarbonylContact O-C 3.46Å; R487-R582 WeakPolarHBondContact O-CA 3.42Å; R487-S583 PolarHBondContact N-O 3.27Å; R487-S583 PolarHBondContact O-N 3.12Å; R487-E648 IonicContact CZ-OE1 3.67Å; R487-E648 IonicContact NE-OE1 3.23Å; R487-E648 PolarHBondContact NE-OE1 2.86Å; R487-E648 IonicContact NE-OE2 3.66Å; R487-E648 IonicContact NH2-OE1 3.39Å; R487-E648 PolarHBondContact NH2-OE1 2.84Å |
| 488 | L | 95.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 32 Ų | 32 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.1 | 175.6 | -169.7 | 70.4 | 0 | 0 | 0 | 109.5 | V496 S497 I563 F566 A580 L581 R582 M651 | L488-V496 CarbonylContact O-C 3.49Å; L488-V496 WeakPolarHBondContact O-CA 3.34Å; L488-S497 PolarHBondContact N-O 3.06Å; L488-S497 PolarHBondContact O-N 3.17Å; L488-I563 HydrophobicContact CD1-CD1 4.02Å; L488-F566 HydrophobicContact CD2-CE2 3.78Å; L488-F566 HydrophobicContact CD2-CZ 3.81Å; L488-A580 HydrophobicContact CD1-CB 3.63Å; L488-A580 HydrophobicContact CG-CB 4.08Å; L488-L581 CarbonylContact C-O 3.51Å; L488-L581 WeakPolarHBondContact CA-O 3.49Å; L488-R582 HydrophobicContact CD1-CB 4.01Å; L488-M651 HydrophobicContact CB-CE 4.26Å; L488-M651 HydrophobicContact CD2-CE 4.21Å; L488-M651 HydrophobicContact CG-CE 4.23Å; L488-M651 VanDerWaalsContact O-CE 3.29Å; L488-M651 WeakPolarHBondContact O-CE 3.46Å |
| 489 | Q | 95.5 | Very high | 94.6 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.9 | 178.1 | 176.7 | 178.2 | -8.5 | 0 | 0 | 111 | N494 V496 A580 L581 | Q489-N494 PolarHBondContact NE2-OD1 3.2Å; Q489-V496 HydrophobicContact CB-CG1 4.01Å; Q489-V496 HydrophobicContact CG-CG1 4.09Å; Q489-A580 CarbonylContact O-C 3.56Å; Q489-A580 WeakPolarHBondContact O-CA 3.49Å; Q489-L581 HydrophobicContact CB-CB 4.36Å; Q489-L581 PolarHBondContact N-O 2.74Å; Q489-L581 PolarHBondContact O-N 3.17Å |
| 490 | C | 94.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 128.6 | 174.9 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | L492 T493 N494 K495 T568 M651 | C490-L492 VanDerWaalsContact C-N 3.27Å; C490-L492 PolarHBondContact O-N 3.16Å; C490-L492 PolarHBondContact SG-N 3.14Å; C490-L492 VanDerWaalsContact SG-N 3.38Å; C490-T493 WeakPolarHBondContact CB-OG1 3.05Å; C490-T493 PolarHBondContact SG-OG1 3.48Å; C490-N494 VanDerWaalsContact O-CA 3.25Å; C490-N494 WeakPolarHBondContact O-CA 3.23Å; C490-N494 PolarHBondContact O-N 3.49Å; C490-K495 PolarHBondContact N-O 2.86Å; C490-T568 WeakPolarHBondContact SG-CB 3.35Å; C490-T568 PolarHBondContact SG-OG1 2.95Å; C490-M651 HydrophobicContact CB-SD 3.86Å |
| 491 | G | 92.6 | Very high | 94.6 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 23% | 0.227 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | F579 | G491-F579 WeakPolarHBondContact CA-O 3.35Å; G491-F579 PolarHBondContact N-O 3.43Å |
| 492 | L | 91.1 | Very high | 94.6 | Very high | 103 Ų | 103 | 44.1 Ų | 44.1 | 54% | 0.539 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -46.6 | 178.6 | -170.9 | 72.5 | 0 | 0 | 0 | 112.4 | C490 A576 T578 | C490-L492 VanDerWaalsContact C-N 3.27Å; C490-L492 PolarHBondContact O-N 3.16Å; C490-L492 PolarHBondContact SG-N 3.14Å; C490-L492 VanDerWaalsContact SG-N 3.38Å; L492-A576 HydrophobicContact CD2-CB 4.46Å; L492-T578 HydrophobicContact CB-CG2 4.18Å |
| 493 | T | 91.3 | Very high | 94.5 | Very high | 44 Ų | 44 | 47.6 Ų | 47.6 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -9.1 | -171.3 | 61.7 | 0 | 0 | 0 | 0 | 113.9 | C490 K495 A570 | C490-T493 WeakPolarHBondContact CB-OG1 3.05Å; C490-T493 PolarHBondContact SG-OG1 3.48Å; T493-K495 PolarHBondContact O-N 2.83Å; T493-K495 PolarHBondContact OG1-N 2.97Å; T493-A570 HydrophobicContact CG2-CB 4.08Å; T493-A570 VanDerWaalsContact OG1-CB 3.31Å; T493-A570 WeakPolarHBondContact OG1-CB 3.44Å |
| 494 | N | 93.1 | Very high | 94.6 | Very high | 104 Ų | 104 | 48.5 Ų | 48.5 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | trans | 57 | 10.4 | -170.7 | -64.4 | -54.5 | 0 | 0 | 0 | 115.1 | Q489 C490 | Q489-N494 PolarHBondContact NE2-OD1 3.2Å; C490-N494 VanDerWaalsContact O-CA 3.25Å; C490-N494 WeakPolarHBondContact O-CA 3.23Å; C490-N494 PolarHBondContact O-N 3.49Å | ||
| 495 | K | 94.5 | Very high | 94.6 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | trans | -71.7 | 149.7 | 171.8 | -65.4 | -172.2 | -178.5 | 179.6 | 0 | 110.2 | C490 T493 A570 Q649 L650 M651 | C490-K495 PolarHBondContact N-O 2.86Å; T493-K495 PolarHBondContact O-N 2.83Å; T493-K495 PolarHBondContact OG1-N 2.97Å; K495-A570 HydrophobicContact CB-CB 4.17Å; K495-A570 HydrophobicContact CD-CB 3.9Å; K495-A570 HydrophobicContact CG-CB 4.45Å; K495-Q649 CarbonylContact C-O 3.59Å; K495-Q649 WeakPolarHBondContact CA-O 3.37Å; K495-Q649 WeakPolarHBondContact CB-O 3.24Å; K495-Q649 HydrophobicContact CG-CB 4.08Å; K495-L650 WeakPolarHBondContact CD-O 3.35Å; K495-M651 VanDerWaalsContact C-CG 3.47Å; K495-M651 HydrophobicContact CB-CB 4.35Å; K495-M651 HydrophobicContact CB-CG 3.48Å; K495-M651 VanDerWaalsContact CB-CG 3.48Å; K495-M651 WeakPolarHBondContact O-CG 3.44Å | ||
| 496 | V | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151 | -173.2 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | L488 Q489 Y498 P644 E648 Q649 L650 M651 | L488-V496 CarbonylContact O-C 3.49Å; L488-V496 WeakPolarHBondContact O-CA 3.34Å; Q489-V496 HydrophobicContact CB-CG1 4.01Å; Q489-V496 HydrophobicContact CG-CG1 4.09Å; V496-Y498 HydrophobicContact CB-CE2 4.37Å; V496-Y498 HydrophobicContact CG2-CD2 4.32Å; V496-Y498 HydrophobicContact CG2-CE2 3.62Å; V496-P644 HydrophobicContact CG2-CB 4.35Å; V496-E648 HydrophobicContact CG1-CB 4.46Å; V496-E648 HydrophobicContact CG1-CG 4.4Å; V496-E648 HydrophobicContact CG2-CB 3.93Å; V496-Q649 PolarHBondContact N-O 3.41Å; V496-L650 HydrophobicContact CG2-CD2 4.44Å; V496-L650 CarbonylContact O-C 3.52Å; V496-L650 VanDerWaalsContact O-CA 3.28Å; V496-L650 WeakPolarHBondContact O-CA 3.44Å; V496-M651 PolarHBondContact O-N 2.86Å |
| 497 | S | 93.8 | Very high | 94.7 | Very high | 44 Ų | 44 | 47.7 Ų | 47.7 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 152.4 | 164.1 | 62.6 | 0 | 0 | 0 | 0 | 109.6 | L488 M651 | L488-S497 PolarHBondContact N-O 3.06Å; L488-S497 PolarHBondContact O-N 3.17Å; S497-M651 VanDerWaalsContact N-CE 3.3Å; S497-M651 VanDerWaalsContact OG-CE 3.23Å; S497-M651 WeakPolarHBondContact OG-CE 3.4Å |
| 498 | Y | 94.7 | Very high | 94.8 | Very high | 45 Ų | 45 | 45.9 Ų | 45.9 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.3 | 177.7 | -69.8 | -84.5 | 0 | 0 | 0 | 109.2 | E485 E486 R487 V496 R643 P644 E648 L650 | E485-Y498 HydrophobicContact CG-CD1 3.87Å; E486-Y498 WeakPolarHBondContact O-CA 3.31Å; R487-Y498 HydrophobicContact CB-CD1 3.99Å; R487-Y498 HydrophobicContact CB-CE1 3.7Å; R487-Y498 HydrophobicContact CG-CD1 4.2Å; R487-Y498 HydrophobicContact CG-CE1 3.6Å; V496-Y498 HydrophobicContact CB-CE2 4.37Å; V496-Y498 HydrophobicContact CG2-CD2 4.32Å; V496-Y498 HydrophobicContact CG2-CE2 3.62Å; Y498-R643 HydrophobicContact CD1-CG 4.35Å; Y498-R643 HydrophobicContact CD2-CB 4.01Å; Y498-R643 HydrophobicContact CD2-CG 4.12Å; Y498-R643 HydrophobicContact CE2-CB 4.23Å; Y498-R643 HydrophobicContact CE2-CG 4.36Å; Y498-R643 HydrophobicContact CG-CB 4.44Å; Y498-R643 HydrophobicContact CG-CG 4.1Å; Y498-P644 HydrophobicContact CE2-CB 4.38Å; Y498-E648 PolarHBondContact OH-OE2 3.31Å; Y498-L650 HydrophobicContact CD2-CD2 4.22Å |
| 499 | K | 94.2 | Very high | 94.8 | Very high | 115 Ų | 115 | 47.6 Ų | 47.6 | 50% | 0.5 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136.2 | 169 | -168.7 | -172 | -178.1 | -146.3 | 0 | 107.6 | E485 E486 D501 | E485-K499 CarbonylContact C-O 3.51Å; E485-K499 WeakPolarHBondContact CA-O 3.15Å; E486-K499 HydrophobicContact CB-CB 4.47Å; E486-K499 PolarHBondContact N-O 3.1Å; E486-K499 PolarHBondContact O-N 3.38Å; K499-D501 WeakPolarHBondContact CE-OD1 3.49Å; K499-D501 WeakPolarHBondContact CE-OD2 3.44Å; K499-D501 IonicContact NZ-OD1 3.55Å; K499-D501 PolarHBondContact NZ-OD1 3.36Å; K499-D501 IonicContact NZ-OD2 2.72Å; K499-D501 PolarHBondContact NZ-OD2 3.4Å |
| 500 | T | 94.3 | Very high | 94.9 | Very high | 65 Ų | 65 | 46.6 Ų | 46.6 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 115.3 | 175.5 | -54.9 | 0 | 0 | 0 | 0 | 109 | V484 T587 | V484-T500 VanDerWaalsContact O-CA 3.31Å; V484-T500 WeakPolarHBondContact O-CA 3.46Å; T500-T587 HydrophobicContact CG2-CG2 4.03Å |
| 501 | D | 94.6 | Very high | 94.9 | Very high | 69 Ų | 69 | 47.1 Ų | 47.1 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 161.6 | 174.3 | -65.8 | -38 | 0 | 0 | 0 | 109.3 | G483 V484 K499 | G483-D501 CarbonylContact C-O 3.57Å; G483-D501 VanDerWaalsContact CA-O 3.29Å; G483-D501 WeakPolarHBondContact CA-O 3.29Å; V484-D501 PolarHBondContact N-O 2.95Å; V484-D501 PolarHBondContact O-N 3.36Å; K499-D501 WeakPolarHBondContact CE-OD1 3.49Å; K499-D501 WeakPolarHBondContact CE-OD2 3.44Å; K499-D501 IonicContact NZ-OD1 3.55Å; K499-D501 PolarHBondContact NZ-OD1 3.36Å; K499-D501 IonicContact NZ-OD2 2.72Å; K499-D501 PolarHBondContact NZ-OD2 3.4Å |
| 502 | H | 94.3 | Very high | 94.9 | Very high | 80 Ų | 80 | 50 Ų | 50 | 37% | 0.37 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.9 | -179.1 | -64.1 | 75.1 | 0 | 0 | 0 | 110.4 | R481 F482 | R481-H502 HydrophobicContact CG-CB 4.23Å; F482-H502 CarbonylContact O-C 3.59Å; F482-H502 WeakPolarHBondContact O-CA 3.17Å |
| 503 | E | 95.4 | Very high | 95.1 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 34% | 0.341 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 162.7 | -173.7 | -64.6 | 177.3 | -165.7 | 0 | 0 | 111 | R481 F482 V484 | R481-E503 WeakPolarHBondContact CA-O 3.22Å; F482-E503 HydrophobicContact CD2-CB 4.48Å; F482-E503 HydrophobicContact CE1-CB 4.42Å; F482-E503 HydrophobicContact CE2-CB 3.82Å; F482-E503 HydrophobicContact CZ-CB 3.76Å; F482-E503 PolarHBondContact N-O 3.17Å; F482-E503 PolarHBondContact O-N 2.75Å; V484-E503 HydrophobicContact CG2-CG 4.33Å |
| 504 | W | 96.5 | Very high | 95.3 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -107.1 | -21.6 | 172.1 | -69.3 | -65.6 | 0 | 0 | 0 | 113.4 | I456 L459 D460 E463 S477 | I456-W504 HydrophobicContact CG2-CE3 4.5Å; L459-W504 HydrophobicContact CB-CD2 4.15Å; L459-W504 HydrophobicContact CB-CE3 4.22Å; L459-W504 HydrophobicContact CB-CH2 4.29Å; L459-W504 HydrophobicContact CB-CZ2 4.21Å; L459-W504 HydrophobicContact CB-CZ3 4.3Å; L459-W504 HydrophobicContact CD1-CB 3.91Å; L459-W504 HydrophobicContact CD1-CD2 3.93Å; L459-W504 HydrophobicContact CD1-CE3 4.44Å; L459-W504 HydrophobicContact CD1-CG 3.69Å; D460-W504 HydrophobicContact CB-CH2 4.12Å; D460-W504 HydrophobicContact CB-CZ3 4.14Å; E463-W504 VanDerWaalsContact OE2-CZ2 3.24Å; E463-W504 WeakPolarHBondContact OE2-CZ2 3.24Å; S477-W504 PolarHBondContact O-NE1 3Å |
| 505 | I | 97.8 | Very high | 95.4 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121.1 | -172 | -56.3 | -173.4 | 0 | 0 | 0 | 108.9 | C452 L455 I456 S507 C594 Q596 | C452-I505 WeakPolarHBondContact SG-CD1 3.14Å; L455-I505 HydrophobicContact CB-CD1 4.45Å; L455-I505 HydrophobicContact CD2-CD1 3.76Å; L455-I505 HydrophobicContact CD2-CG1 4.4Å; L455-I505 HydrophobicContact CG-CD1 4.11Å; I456-I505 HydrophobicContact CD1-CD1 3.95Å; I456-I505 HydrophobicContact CG1-CD1 3.49Å; I456-I505 VanDerWaalsContact CG1-CD1 3.49Å; I456-I505 HydrophobicContact CG1-CG1 4.15Å; I505-S507 PolarHBondContact O-N 3.4Å; I505-C594 HydrophobicContact CG1-CB 4.22Å; I505-Q596 HydrophobicContact CG2-CB 3.61Å |
| 506 | L | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 100.1 | 174.6 | -178.1 | 66.9 | 0 | 0 | 0 | 108.9 | F482 V508 L554 W557 L586 L593 C594 I595 Q596 | F482-L506 HydrophobicContact CE1-CB 4.27Å; F482-L506 HydrophobicContact CE2-CB 4.44Å; F482-L506 HydrophobicContact CE2-CD1 4.26Å; F482-L506 HydrophobicContact CZ-CB 3.75Å; F482-L506 HydrophobicContact CZ-CD1 4.36Å; L506-V508 HydrophobicContact CD2-CG1 4.26Å; L506-V508 HydrophobicContact CG-CG1 4.05Å; L506-V508 PolarHBondContact O-N 3.18Å; L506-L554 HydrophobicContact CD2-CD2 3.94Å; L506-W557 HydrophobicContact CD1-CD2 3.9Å; L506-W557 VanDerWaalsContact CD1-CE2 3.42Å; L506-W557 HydrophobicContact CD1-CE3 4.44Å; L506-W557 HydrophobicContact CD1-CG 4.38Å; L506-W557 HydrophobicContact CD1-CH2 4.16Å; L506-W557 HydrophobicContact CD1-CZ2 3.58Å; L506-L586 HydrophobicContact CD1-CD2 4.44Å; L506-L593 HydrophobicContact CB-CD1 4.4Å; L506-C594 PolarHBondContact N-O 3.21Å; L506-I595 HydrophobicContact CB-CG1 4.32Å; L506-I595 HydrophobicContact CD2-CD1 4.4Å; L506-I595 HydrophobicContact CD2-CG1 4.4Å; L506-I595 WeakPolarHBondContact O-CA 3.4Å; L506-I595 WeakPolarHBondContact O-CG2 3.37Å; L506-Q596 PolarHBondContact O-N 3.25Å |
| 507 | S | 97 | Very high | 95.4 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 37% | 0.371 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 109.2 | 177.7 | -57 | 0 | 0 | 0 | 0 | 110.8 | I505 W557 Q596 | I505-S507 PolarHBondContact O-N 3.4Å; S507-W557 VanDerWaalsContact O-CD1 3.25Å; S507-Q596 CarbonylContact C-O 3.56Å; S507-Q596 WeakPolarHBondContact CA-O 3.5Å; S507-Q596 PolarHBondContact OG-OE1 2.78Å |
| 508 | V | 97.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.3 | -178.1 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | L506 M550 C553 L554 W557 I595 Q596 V597 G598 | L506-V508 HydrophobicContact CD2-CG1 4.26Å; L506-V508 HydrophobicContact CG-CG1 4.05Å; L506-V508 PolarHBondContact O-N 3.18Å; V508-M550 HydrophobicContact CG2-SD 4.39Å; V508-C553 HydrophobicContact CB-CB 4.03Å; V508-C553 HydrophobicContact CG2-CB 3.86Å; V508-L554 HydrophobicContact CG1-CD2 3.85Å; V508-W557 HydrophobicContact CG1-CB 4.44Å; V508-I595 HydrophobicContact CB-CG2 4.44Å; V508-I595 HydrophobicContact CG1-CG2 3.92Å; V508-I595 HydrophobicContact CG2-CG2 3.66Å; V508-Q596 PolarHBondContact N-O 3.44Å; V508-V597 HydrophobicContact CG2-CG2 4.06Å; V508-G598 PolarHBondContact O-N 3.27Å |
| 509 | P | 96.2 | Very high | 95.4 | Very high | 57 Ų | 57 | 59.2 Ų | 59.2 | 37% | 0.37 | 31% | 0.306 | S | S | . | . | trans | -72.6 | 161.9 | 174.8 | 32.2 | -34.8 | 0 | 0 | 0 | 111.1 | P511 C553 A556 | P509-P511 VanDerWaalsContact O-CD 3.26Å; P509-P511 WeakPolarHBondContact O-CD 3.3Å; P509-C553 WeakPolarHBondContact O-CA 3.45Å; P509-C553 VanDerWaalsContact O-CB 3.26Å; P509-C553 WeakPolarHBondContact O-CB 3.33Å; P509-A556 HydrophobicContact CG-CB 3.8Å | ||
| 510 | V | 96.5 | Very high | 95.3 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 11% | 0.109 | 30% | 0.299 | C | S | . | . | trans | -108.7 | 95 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | M512 I548 V597 L611 V613 | V510-M512 HydrophobicContact CG1-SD 4.33Å; V510-M512 PolarHBondContact O-N 2.9Å; V510-M512 VanDerWaalsContact O-N 3.17Å; V510-I548 HydrophobicContact CG1-CD1 3.27Å; V510-V597 HydrophobicContact CG2-CG1 3.37Å; V510-L611 HydrophobicContact CB-CD1 3.81Å; V510-L611 HydrophobicContact CG1-CD1 3.9Å; V510-L611 HydrophobicContact CG2-CD1 4.39Å; V510-V613 HydrophobicContact CG1-CG1 4.5Å; V510-V613 HydrophobicContact CG1-CG2 3.98Å | ||
| 511 | P | 95.4 | Very high | 95.1 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 8% | 0.078 | 28% | 0.283 | C | S | . | . | trans | -74.7 | 104.2 | -179.9 | 28.9 | -33.6 | 0 | 0 | 0 | 110.8 | P509 E513 A514 I548 A552 A556 | P509-P511 VanDerWaalsContact O-CD 3.26Å; P509-P511 WeakPolarHBondContact O-CD 3.3Å; P511-E513 HydrophobicContact CB-CG 4.43Å; P511-E513 PolarHBondContact O-N 3.37Å; P511-A514 HydrophobicContact CB-CB 4.21Å; P511-A514 HydrophobicContact CG-CB 3.92Å; P511-A514 WeakPolarHBondContact O-CB 3.49Å; P511-A514 PolarHBondContact O-N 3.37Å; P511-I548 HydrophobicContact CG-CG2 4.42Å; P511-A552 HydrophobicContact CG-CB 4.15Å; P511-A556 HydrophobicContact CB-CB 4.32Å; P511-A556 HydrophobicContact CG-CB 4.05Å | ||
| 512 | M | 93 | Very high | 95 | Very high | 81 Ų | 81 | 52.8 Ų | 52.8 | 40% | 0.399 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -66.2 | -19.6 | -178.6 | -69.1 | -61.8 | -60 | 0 | 0 | 113.2 | V510 A514 V515 P546 I548 L611 V613 | V510-M512 HydrophobicContact CG1-SD 4.33Å; V510-M512 PolarHBondContact O-N 2.9Å; V510-M512 VanDerWaalsContact O-N 3.17Å; M512-A514 VanDerWaalsContact C-N 3.26Å; M512-A514 PolarHBondContact O-N 2.67Å; M512-V515 WeakPolarHBondContact O-CG2 3.39Å; M512-P546 HydrophobicContact CE-CB 4.29Å; M512-P546 HydrophobicContact CE-CG 4.12Å; M512-I548 HydrophobicContact SD-CD1 3.95Å; M512-L611 HydrophobicContact SD-CD1 4.46Å; M512-V613 HydrophobicContact CE-CG1 4.42Å; M512-V613 HydrophobicContact SD-CG1 3.94Å |
| 513 | E | 93.8 | Very high | 94.9 | Very high | 162 Ų | 162 | 53.6 Ų | 53.6 | 76% | 0.757 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -72.8 | -16.4 | 172.6 | 62.3 | -87.3 | -159.6 | 0 | 0 | 113.5 | P511 V515 | P511-E513 HydrophobicContact CB-CG 4.43Å; P511-E513 PolarHBondContact O-N 3.37Å; E513-V515 VanDerWaalsContact C-N 3.28Å; E513-V515 PolarHBondContact O-N 2.99Å |
| 514 | A | 95 | Very high | 94.6 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 26% | 0.256 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -90.3 | 14.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P511 M512 T516 A552 | P511-A514 HydrophobicContact CB-CB 4.21Å; P511-A514 HydrophobicContact CG-CB 3.92Å; P511-A514 WeakPolarHBondContact O-CB 3.49Å; P511-A514 PolarHBondContact O-N 3.37Å; M512-A514 VanDerWaalsContact C-N 3.26Å; M512-A514 PolarHBondContact O-N 2.67Å; A514-T516 PolarHBondContact O-N 2.72Å; A514-A552 HydrophobicContact CB-CB 3.6Å |
| 515 | V | 96.1 | Very high | 94.2 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | trans | -65.6 | 126.6 | -177.9 | 168.1 | 0 | 0 | 0 | 0 | 111.5 | M512 E513 N517 L521 P546 I547 I548 | M512-V515 WeakPolarHBondContact O-CG2 3.39Å; E513-V515 VanDerWaalsContact C-N 3.28Å; E513-V515 PolarHBondContact O-N 2.99Å; V515-N517 WeakPolarHBondContact CG1-OD1 3.12Å; V515-L521 HydrophobicContact CG1-CD1 3.47Å; V515-L521 VanDerWaalsContact CG1-CD1 3.47Å; V515-P546 HydrophobicContact CG1-CB 4.18Å; V515-P546 HydrophobicContact CG2-CB 3.7Å; V515-I547 WeakPolarHBondContact CA-O 3.47Å; V515-I548 HydrophobicContact CG2-CD1 4.23Å; V515-I548 HydrophobicContact CG2-CG1 3.87Å | ||
| 516 | T | 95.6 | Very high | 93.9 | Very high | 86 Ų | 86 | 62.3 Ų | 62.3 | 53% | 0.528 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -88.9 | -24.1 | -175.6 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | A514 I547 P549 | A514-T516 PolarHBondContact O-N 2.72Å; T516-I547 PolarHBondContact N-O 3.36Å; T516-I547 PolarHBondContact OG1-O 3.11Å; T516-P549 HydrophobicContact CG2-CG 3.65Å |
| 517 | N | 95.3 | Very high | 93.4 | Very high | 26 Ų | 26 | 68.1 Ų | 68.1 | 14% | 0.139 | 35% | 0.348 | C | S | . | . | trans | -106.3 | 30.4 | -174.8 | 69.3 | -33.3 | 0 | 0 | 0 | 114.1 | V515 K519 A520 L521 R545 I547 | V515-N517 WeakPolarHBondContact CG1-OD1 3.12Å; N517-K519 VanDerWaalsContact C-N 3.31Å; N517-K519 PolarHBondContact O-N 2.56Å; N517-K519 VanDerWaalsContact O-N 3.12Å; N517-A520 HydrophobicContact CB-CB 4.42Å; N517-A520 WeakPolarHBondContact O-CB 3.1Å; N517-A520 PolarHBondContact O-N 2.72Å; N517-L521 PolarHBondContact O-N 2.92Å; N517-R545 PolarHBondContact ND2-O 2.94Å; N517-I547 HydrophobicContact CB-CD1 4.1Å; N517-I547 HydrophobicContact CB-CG1 4.44Å; N517-I547 PolarHBondContact OD1-N 3.22Å | ||
| 518 | Q | 92.9 | Very high | 92.8 | Very high | 93 Ų | 93 | 71 Ų | 71 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -47.7 | -47 | -173.9 | -168.5 | 63 | 46.8 | 0 | 0 | 114.1 | A520 L521 D522 | Q518-A520 VanDerWaalsContact C-N 3.28Å; Q518-A520 PolarHBondContact O-N 2.7Å; Q518-L521 WeakPolarHBondContact O-CB 3.45Å; Q518-L521 PolarHBondContact O-N 3.31Å; Q518-L521 VanDerWaalsContact O-N 3.17Å; Q518-D522 PolarHBondContact NE2-OD1 2.78Å; Q518-D522 PolarHBondContact O-N 2.58Å |
| 519 | K | 93.8 | Very high | 92.2 | Very high | 174 Ų | 174 | 73.5 Ų | 73.5 | 76% | 0.757 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.8 | -35 | 179.8 | -66.5 | 177.7 | -178.6 | 173.3 | 0 | 113.4 | N517 N523 | N517-K519 VanDerWaalsContact C-N 3.31Å; N517-K519 PolarHBondContact O-N 2.56Å; N517-K519 VanDerWaalsContact O-N 3.12Å; K519-N523 PolarHBondContact O-N 3.01Å; K519-N523 PolarHBondContact O-ND2 3.15Å |
| 520 | A | 92.6 | Very high | 91.7 | Very high | 44 Ų | 44 | 75.3 Ų | 75.3 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.3 | -37.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | N517 Q518 N523 Y524 V544 | N517-A520 HydrophobicContact CB-CB 4.42Å; N517-A520 WeakPolarHBondContact O-CB 3.1Å; N517-A520 PolarHBondContact O-N 2.72Å; Q518-A520 VanDerWaalsContact C-N 3.28Å; Q518-A520 PolarHBondContact O-N 2.7Å; A520-N523 PolarHBondContact O-N 3.49Å; A520-Y524 WeakPolarHBondContact O-CB 3.41Å; A520-Y524 PolarHBondContact O-N 3.2Å; A520-V544 HydrophobicContact CB-CG1 4.05Å |
| 521 | L | 90.6 | Very high | 91.1 | Very high | 11 Ų | 11 | 74.9 Ų | 74.9 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.1 | -51.5 | 173.6 | -65.5 | 169.7 | 0 | 0 | 0 | 111.6 | V515 N517 Q518 N523 Y524 E525 V544 R545 P546 | V515-L521 HydrophobicContact CG1-CD1 3.47Å; V515-L521 VanDerWaalsContact CG1-CD1 3.47Å; N517-L521 PolarHBondContact O-N 2.92Å; Q518-L521 WeakPolarHBondContact O-CB 3.45Å; Q518-L521 PolarHBondContact O-N 3.31Å; Q518-L521 VanDerWaalsContact O-N 3.17Å; L521-N523 PolarHBondContact O-N 3.42Å; L521-N523 VanDerWaalsContact O-N 3.14Å; L521-Y524 CarbonylContact O-C 3.45Å; L521-Y524 WeakPolarHBondContact O-CA 3.42Å; L521-Y524 PolarHBondContact O-N 2.93Å; L521-E525 WeakPolarHBondContact O-CG 3.17Å; L521-E525 PolarHBondContact O-N 3.49Å; L521-V544 HydrophobicContact CD2-CB 4.5Å; L521-V544 HydrophobicContact CD2-CG1 3.92Å; L521-V544 WeakPolarHBondContact CD2-O 3.18Å; L521-R545 VanDerWaalsContact CD2-C 3.49Å; L521-P546 HydrophobicContact CD1-CB 3.75Å; L521-P546 HydrophobicContact CD1-CG 3.91Å; L521-P546 HydrophobicContact CD2-CB 4.44Å; L521-P546 HydrophobicContact CD2-CG 4.01Å |
| 522 | D | 92.1 | Very high | 90.2 | Very high | 59 Ų | 59 | 79.3 Ų | 79.3 | 32% | 0.316 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.8 | -35.6 | -179.1 | -57.7 | -18.3 | 0 | 0 | 0 | 111.3 | Q518 K526 | Q518-D522 PolarHBondContact NE2-OD1 2.78Å; Q518-D522 PolarHBondContact O-N 2.58Å; D522-K526 WeakPolarHBondContact O-CD 3.44Å; D522-K526 VanDerWaalsContact O-CG 3.28Å; D522-K526 WeakPolarHBondContact O-CG 3.47Å; D522-K526 PolarHBondContact O-N 3.02Å |
| 523 | N | 92.7 | Very high | 89.6 | Confident | 98 Ų | 98 | 82.4 Ų | 82.4 | 52% | 0.524 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -71.8 | -40.6 | 175.5 | -72.9 | -19.3 | 0 | 0 | 0 | 112.4 | K519 A520 L521 R527 | K519-N523 PolarHBondContact O-N 3.01Å; K519-N523 PolarHBondContact O-ND2 3.15Å; A520-N523 PolarHBondContact O-N 3.49Å; L521-N523 PolarHBondContact O-N 3.42Å; L521-N523 VanDerWaalsContact O-N 3.14Å; N523-R527 WeakPolarHBondContact O-CG 3.47Å; N523-R527 PolarHBondContact O-N 3.21Å; N523-R527 VanDerWaalsContact O-N 3.08Å |
| 524 | Y | 89.2 | Confident | 89 | Confident | 29 Ų | 29 | 80.1 Ų | 80.1 | 11% | 0.114 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 176.7 | 173.4 | -103.9 | 0 | 0 | 0 | 111.7 | A520 L521 K526 R527 R528 L538 E542 V544 | A520-Y524 WeakPolarHBondContact O-CB 3.41Å; A520-Y524 PolarHBondContact O-N 3.2Å; L521-Y524 CarbonylContact O-C 3.45Å; L521-Y524 WeakPolarHBondContact O-CA 3.42Å; L521-Y524 PolarHBondContact O-N 2.93Å; Y524-K526 VanDerWaalsContact C-N 3.34Å; Y524-K526 PolarHBondContact O-N 3.13Å; Y524-R527 CarbonylContact O-C 3.58Å; Y524-R527 PolarHBondContact O-N 2.95Å; Y524-R528 VanDerWaalsContact O-CB 3.29Å; Y524-R528 WeakPolarHBondContact O-CB 3.46Å; Y524-R528 PolarHBondContact O-N 3.45Å; Y524-L538 HydrophobicContact CE2-CD1 3.83Å; Y524-E542 VanDerWaalsContact CD2-O 3.3Å; Y524-E542 WeakPolarHBondContact CD2-O 3.15Å; Y524-E542 WeakPolarHBondContact CE2-O 3.49Å; Y524-V544 HydrophobicContact CD1-CB 4.18Å; Y524-V544 HydrophobicContact CD2-CB 4.21Å; Y524-V544 HydrophobicContact CD2-CG2 3.96Å; Y524-V544 HydrophobicContact CG-CB 3.77Å; Y524-V544 HydrophobicContact CG-CG2 3.93Å |
| 525 | E | 88 | Confident | 88 | Confident | 121 Ų | 121 | 82 Ų | 82 | 57% | 0.565 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 177.4 | -72.4 | -177.7 | 168.7 | 0 | 0 | 111.8 | L521 R528 A529 | L521-E525 WeakPolarHBondContact O-CG 3.17Å; L521-E525 PolarHBondContact O-N 3.49Å; E525-R528 PolarHBondContact O-N 3.28Å; E525-A529 WeakPolarHBondContact O-CB 3.44Å; E525-A529 PolarHBondContact O-N 3.13Å |
| 526 | K | 90.4 | Very high | 87.1 | Confident | 132 Ų | 132 | 86.1 Ų | 86.1 | 57% | 0.574 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.6 | -49.2 | 172.4 | -73.4 | 170.4 | -173.3 | 170.3 | 0 | 111.8 | D522 Y524 R528 A529 D530 | D522-K526 WeakPolarHBondContact O-CD 3.44Å; D522-K526 VanDerWaalsContact O-CG 3.28Å; D522-K526 WeakPolarHBondContact O-CG 3.47Å; D522-K526 PolarHBondContact O-N 3.02Å; Y524-K526 VanDerWaalsContact C-N 3.34Å; Y524-K526 PolarHBondContact O-N 3.13Å; K526-R528 VanDerWaalsContact C-N 3.3Å; K526-R528 PolarHBondContact O-N 3.22Å; K526-A529 PolarHBondContact O-N 2.71Å; K526-D530 WeakPolarHBondContact O-CB 3.25Å; K526-D530 VanDerWaalsContact O-CG 3.27Å; K526-D530 PolarHBondContact O-N 2.93Å |
| 527 | R | 87.6 | Confident | 85.7 | Confident | 123 Ų | 123 | 89.6 Ų | 89.6 | 46% | 0.464 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 177.8 | -75.1 | 177.3 | 63.8 | -157.4 | -6.8 | 112.3 | N523 Y524 D530 A531 E542 | N523-R527 WeakPolarHBondContact O-CG 3.47Å; N523-R527 PolarHBondContact O-N 3.21Å; N523-R527 VanDerWaalsContact O-N 3.08Å; Y524-R527 CarbonylContact O-C 3.58Å; Y524-R527 PolarHBondContact O-N 2.95Å; R527-D530 PolarHBondContact O-N 3.36Å; R527-A531 WeakPolarHBondContact O-CB 3.46Å; R527-A531 PolarHBondContact O-N 3.22Å; R527-E542 IonicContact CZ-OE2 3.23Å; R527-E542 IonicContact NH2-OE2 2.97Å; R527-E542 PolarHBondContact NH2-OE2 3.14Å |
| 528 | R | 84.1 | Confident | 84.6 | Confident | 112 Ų | 112 | 89.8 Ų | 89.8 | 42% | 0.423 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -46.8 | 176.9 | -178.8 | -175.9 | 170 | -168.3 | -1.5 | 110.5 | Y524 E525 K526 D530 A531 E532 L538 | Y524-R528 VanDerWaalsContact O-CB 3.29Å; Y524-R528 WeakPolarHBondContact O-CB 3.46Å; Y524-R528 PolarHBondContact O-N 3.45Å; E525-R528 PolarHBondContact O-N 3.28Å; K526-R528 VanDerWaalsContact C-N 3.3Å; K526-R528 PolarHBondContact O-N 3.22Å; R528-D530 VanDerWaalsContact C-N 3.34Å; R528-D530 PolarHBondContact O-N 3.25Å; R528-A531 PolarHBondContact O-N 2.94Å; R528-E532 VanDerWaalsContact O-CB 3.29Å; R528-E532 WeakPolarHBondContact O-CB 3.39Å; R528-E532 PolarHBondContact O-N 2.78Å; R528-L538 HydrophobicContact CB-CD1 4.07Å |
| 529 | A | 84.9 | Confident | 83.7 | Confident | 55 Ų | 55 | 87.4 Ų | 87.4 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E525 K526 E532 L533 | E525-A529 WeakPolarHBondContact O-CB 3.44Å; E525-A529 PolarHBondContact O-N 3.13Å; K526-A529 PolarHBondContact O-N 2.71Å; A529-E532 PolarHBondContact O-N 2.97Å; A529-L533 WeakPolarHBondContact O-CB 3.49Å; A529-L533 PolarHBondContact O-N 3.18Å |
| 530 | D | 86.6 | Confident | 82.4 | Confident | 95 Ų | 95 | 82.4 Ų | 82.4 | 51% | 0.508 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 175.3 | -70.4 | -23.5 | 0 | 0 | 0 | 111.9 | K526 R527 R528 L533 N534 | K526-D530 WeakPolarHBondContact O-CB 3.25Å; K526-D530 VanDerWaalsContact O-CG 3.27Å; K526-D530 PolarHBondContact O-N 2.93Å; R527-D530 PolarHBondContact O-N 3.36Å; R528-D530 VanDerWaalsContact C-N 3.34Å; R528-D530 PolarHBondContact O-N 3.25Å; D530-L533 PolarHBondContact O-N 3Å; D530-N534 WeakPolarHBondContact O-CB 3.45Å; D530-N534 PolarHBondContact O-N 2.83Å; D530-N534 VanDerWaalsContact O-N 3.07Å; D530-N534 PolarHBondContact O-ND2 3.05Å |
| 531 | A | 83 | Confident | 81.4 | Confident | 10 Ų | 10 | 89.1 Ų | 89.1 | 8% | 0.083 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | R527 R528 L533 N534 G535 I536 L538 | R527-A531 WeakPolarHBondContact O-CB 3.46Å; R527-A531 PolarHBondContact O-N 3.22Å; R528-A531 PolarHBondContact O-N 2.94Å; A531-L533 PolarHBondContact O-N 2.88Å; A531-N534 CarbonylContact O-C 3.48Å; A531-N534 PolarHBondContact O-N 2.86Å; A531-N534 VanDerWaalsContact O-N 3.13Å; A531-G535 PolarHBondContact O-N 3.16Å; A531-I536 CarbonylContact C-O 3.54Å; A531-I536 HydrophobicContact CB-CB 4.27Å; A531-I536 WeakPolarHBondContact CB-O 3.34Å; A531-I536 PolarHBondContact O-N 3.09Å; A531-L538 HydrophobicContact CB-CD1 4.36Å; A531-L538 HydrophobicContact CB-CD2 4.16Å; A531-L538 HydrophobicContact CB-CG 3.96Å |
| 532 | E | 76.9 | Confident | 80.8 | Confident | 105 Ų | 105 | 92 Ų | 92 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 175.4 | -172.3 | 177.7 | 172.1 | 0 | 0 | 111.7 | R528 A529 N534 G535 | R528-E532 VanDerWaalsContact O-CB 3.29Å; R528-E532 WeakPolarHBondContact O-CB 3.39Å; R528-E532 PolarHBondContact O-N 2.78Å; A529-E532 PolarHBondContact O-N 2.97Å; E532-N534 VanDerWaalsContact C-N 3.25Å; E532-N534 PolarHBondContact O-N 3.02Å; E532-G535 PolarHBondContact O-N 3.16Å; E532-G535 VanDerWaalsContact O-N 3.14Å |
| 533 | L | 81 | Confident | 80.3 | Confident | 146 Ų | 146 | 91.4 Ų | 91.4 | 76% | 0.764 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.4 | -35.1 | 174.8 | -172.5 | 70.9 | 0 | 0 | 0 | 112.2 | A529 D530 A531 | A529-L533 WeakPolarHBondContact O-CB 3.49Å; A529-L533 PolarHBondContact O-N 3.18Å; D530-L533 PolarHBondContact O-N 3Å; A531-L533 PolarHBondContact O-N 2.88Å |
| 534 | N | 80.8 | Confident | 80.1 | Confident | 113 Ų | 113 | 88.9 Ų | 88.9 | 60% | 0.604 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 0.6 | 178.4 | -69.5 | -56.2 | 0 | 0 | 0 | 113.7 | D530 A531 E532 I536 | D530-N534 WeakPolarHBondContact O-CB 3.45Å; D530-N534 PolarHBondContact O-N 2.83Å; D530-N534 VanDerWaalsContact O-N 3.07Å; D530-N534 PolarHBondContact O-ND2 3.05Å; A531-N534 CarbonylContact O-C 3.48Å; A531-N534 PolarHBondContact O-N 2.86Å; A531-N534 VanDerWaalsContact O-N 3.13Å; E532-N534 VanDerWaalsContact C-N 3.25Å; E532-N534 PolarHBondContact O-N 3.02Å; N534-I536 HydrophobicContact CB-CD1 3.88Å; N534-I536 HydrophobicContact CB-CG1 4.02Å; N534-I536 PolarHBondContact O-N 3.26Å |
| 535 | G | 73.9 | Confident | 80.1 | Confident | 72 Ų | 72 | 89.2 Ų | 89.2 | 74% | 0.742 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 22.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A531 E532 | A531-G535 PolarHBondContact O-N 3.16Å; E532-G535 PolarHBondContact O-N 3.16Å; E532-G535 VanDerWaalsContact O-N 3.14Å |
| 536 | I | 77.2 | Confident | 80.4 | Confident | 105 Ų | 105 | 84.5 Ų | 84.5 | 54% | 0.538 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 126.9 | 178.5 | -61.4 | 172.2 | 0 | 0 | 0 | 108.4 | A531 N534 | A531-I536 CarbonylContact C-O 3.54Å; A531-I536 HydrophobicContact CB-CB 4.27Å; A531-I536 WeakPolarHBondContact CB-O 3.34Å; A531-I536 PolarHBondContact O-N 3.09Å; N534-I536 HydrophobicContact CB-CD1 3.88Å; N534-I536 HydrophobicContact CB-CG1 4.02Å; N534-I536 PolarHBondContact O-N 3.26Å |
| 537 | H | 66.7 | Low | 80.7 | Confident | 158 Ų | 158 | 79.6 Ų | 79.6 | 73% | 0.731 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -88.8 | 123.3 | 174.8 | -163.8 | -73.7 | 0 | 0 | 0 | 109.9 | ||
| 538 | L | 73 | Confident | 81.2 | Confident | 31 Ų | 31 | 73.8 Ų | 73.8 | 16% | 0.162 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 143.9 | 173.5 | -67.2 | 172.9 | 0 | 0 | 0 | 110 | Y524 R528 A531 | Y524-L538 HydrophobicContact CE2-CD1 3.83Å; R528-L538 HydrophobicContact CB-CD1 4.07Å; A531-L538 HydrophobicContact CB-CD1 4.36Å; A531-L538 HydrophobicContact CB-CD2 4.16Å; A531-L538 HydrophobicContact CB-CG 3.96Å |
| 539 | S | 72.4 | Confident | 81.8 | Confident | 42 Ų | 42 | 69.8 Ų | 69.8 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 151.4 | 176.7 | 67.5 | 0 | 0 | 0 | 0 | 111.1 | E541 E542 | S539-E541 PolarHBondContact O-N 2.83Å; S539-E542 PolarHBondContact N-OE1 2.93Å; S539-E542 WeakPolarHBondContact O-CB 3.09Å; S539-E542 PolarHBondContact O-N 2.87Å; S539-E542 VanDerWaalsContact OG-CG 3.27Å; S539-E542 WeakPolarHBondContact OG-CG 3.42Å; S539-E542 PolarHBondContact OG-OE1 3.4Å |
| 540 | P | 67.4 | Low | 82.4 | Confident | 70 Ų | 70 | 67.2 Ų | 67.2 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -57.4 | -28.7 | 177.1 | -27.9 | 35.8 | 0 | 0 | 0 | 114.9 | E542 V543 | P540-E542 PolarHBondContact O-N 3.28Å; P540-V543 WeakPolarHBondContact O-CB 3.44Å; P540-V543 WeakPolarHBondContact O-CG2 3.44Å; P540-V543 PolarHBondContact O-N 3.23Å |
| 541 | E | 70.5 | Confident | 82.9 | Confident | 185 Ų | 185 | 64.8 Ų | 64.8 | 86% | 0.864 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -71.3 | -18.5 | 178.2 | -61.4 | -179.6 | 179.2 | 0 | 0 | 112.7 | S539 | S539-E541 PolarHBondContact O-N 2.83Š|
| 542 | E | 77.8 | Confident | 83.6 | Confident | 72 Ų | 72 | 65.4 Ų | 65.4 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -89 | -3.7 | 178.4 | -70.9 | 173.9 | -107.3 | 0 | 0 | 113.5 | Y524 R527 S539 P540 V544 | Y524-E542 VanDerWaalsContact CD2-O 3.3Å; Y524-E542 WeakPolarHBondContact CD2-O 3.15Å; Y524-E542 WeakPolarHBondContact CE2-O 3.49Å; R527-E542 IonicContact CZ-OE2 3.23Å; R527-E542 IonicContact NH2-OE2 2.97Å; R527-E542 PolarHBondContact NH2-OE2 3.14Å; S539-E542 PolarHBondContact N-OE1 2.93Å; S539-E542 WeakPolarHBondContact O-CB 3.09Å; S539-E542 PolarHBondContact O-N 2.87Å; S539-E542 VanDerWaalsContact OG-CG 3.27Å; S539-E542 WeakPolarHBondContact OG-CG 3.42Å; S539-E542 PolarHBondContact OG-OE1 3.4Å; P540-E542 PolarHBondContact O-N 3.28Å; E542-V544 PolarHBondContact O-N 3.45Å |
| 543 | V | 82.9 | Confident | 84.6 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 121.5 | -178.7 | 179 | 0 | 0 | 0 | 0 | 110.2 | P540 R545 | P540-V543 WeakPolarHBondContact O-CB 3.44Å; P540-V543 WeakPolarHBondContact O-CG2 3.44Å; P540-V543 PolarHBondContact O-N 3.23Å; V543-R545 HydrophobicContact CG1-CG 4.2Å |
| 544 | V | 87.7 | Confident | 85.4 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -102.8 | 117.4 | 174.2 | -175.2 | 0 | 0 | 0 | 0 | 109 | A520 L521 Y524 E542 | A520-V544 HydrophobicContact CB-CG1 4.05Å; L521-V544 HydrophobicContact CD2-CB 4.5Å; L521-V544 HydrophobicContact CD2-CG1 3.92Å; L521-V544 WeakPolarHBondContact CD2-O 3.18Å; Y524-V544 HydrophobicContact CD1-CB 4.18Å; Y524-V544 HydrophobicContact CD2-CB 4.21Å; Y524-V544 HydrophobicContact CD2-CG2 3.96Å; Y524-V544 HydrophobicContact CG-CB 3.77Å; Y524-V544 HydrophobicContact CG-CG2 3.93Å; E542-V544 PolarHBondContact O-N 3.45Å |
| 545 | R | 90.5 | Very high | 86.1 | Confident | 35 Ų | 35 | 51.8 Ų | 51.8 | 13% | 0.132 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -100 | 151.3 | 179 | -67.5 | 177.1 | 179.6 | 91.1 | 5.1 | 112.2 | N517 L521 V543 I547 D612 D614 | N517-R545 PolarHBondContact ND2-O 2.94Å; L521-R545 VanDerWaalsContact CD2-C 3.49Å; V543-R545 HydrophobicContact CG1-CG 4.2Å; R545-I547 PolarHBondContact O-N 2.71Å; R545-D612 VanDerWaalsContact CD-OD1 3.26Å; R545-D612 WeakPolarHBondContact CD-OD1 3.4Å; R545-D612 IonicContact CZ-OD1 3.68Å; R545-D612 IonicContact CZ-OD2 3.68Å; R545-D612 VanDerWaalsContact NE-CG 3.3Å; R545-D612 IonicContact NE-OD1 3.46Å; R545-D612 PolarHBondContact NE-OD1 2.99Å; R545-D612 IonicContact NE-OD2 2.79Å; R545-D612 PolarHBondContact NE-OD2 3.35Å; R545-D612 VanDerWaalsContact NE-OD2 3.08Å; R545-D612 IonicContact NH2-OD2 2.63Å; R545-D614 VanDerWaalsContact CD-OD1 3.25Å; R545-D614 WeakPolarHBondContact CD-OD1 3.06Å |
| 546 | P | 94.2 | Very high | 87.2 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 14% | 0.143 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 126.8 | 173.6 | -16.1 | 29.1 | 0 | 0 | 0 | 110.6 | M512 V515 L521 D612 V613 D614 | M512-P546 HydrophobicContact CE-CB 4.29Å; M512-P546 HydrophobicContact CE-CG 4.12Å; V515-P546 HydrophobicContact CG1-CB 4.18Å; V515-P546 HydrophobicContact CG2-CB 3.7Å; L521-P546 HydrophobicContact CD1-CB 3.75Å; L521-P546 HydrophobicContact CD1-CG 3.91Å; L521-P546 HydrophobicContact CD2-CB 4.44Å; L521-P546 HydrophobicContact CD2-CG 4.01Å; P546-D612 VanDerWaalsContact CD-O 3.31Å; P546-D612 WeakPolarHBondContact CD-O 3.48Å; P546-V613 HydrophobicContact CB-CG1 4.14Å; P546-V613 HydrophobicContact CG-CG1 4.17Å; P546-V613 WeakPolarHBondContact O-CA 3.25Å; P546-D614 PolarHBondContact O-N 3.31Å |
| 547 | I | 96.7 | Very high | 88.1 | Confident | 30 Ų | 30 | 46 Ų | 46 | 15% | 0.154 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 118.3 | 179.6 | -60.3 | 172.3 | 0 | 0 | 0 | 108.4 | V515 T516 N517 R545 D614 E616 | V515-I547 WeakPolarHBondContact CA-O 3.47Å; T516-I547 PolarHBondContact N-O 3.36Å; T516-I547 PolarHBondContact OG1-O 3.11Å; N517-I547 HydrophobicContact CB-CD1 4.1Å; N517-I547 HydrophobicContact CB-CG1 4.44Å; N517-I547 PolarHBondContact OD1-N 3.22Å; R545-I547 PolarHBondContact O-N 2.71Å; I547-D614 WeakPolarHBondContact CA-O 3.3Å; I547-D614 HydrophobicContact CG1-CB 4.05Å; I547-E616 HydrophobicContact CG2-CB 3.87Å |
| 548 | I | 97.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.3 | -179.1 | -61.1 | 171.2 | 0 | 0 | 0 | 108.4 | V510 P511 M512 V515 A552 V613 D614 I615 E616 | V510-I548 HydrophobicContact CG1-CD1 3.27Å; P511-I548 HydrophobicContact CG-CG2 4.42Å; M512-I548 HydrophobicContact SD-CD1 3.95Å; V515-I548 HydrophobicContact CG2-CD1 4.23Å; V515-I548 HydrophobicContact CG2-CG1 3.87Å; I548-A552 HydrophobicContact CG2-CB 4.42Å; I548-V613 HydrophobicContact CD1-CB 4.3Å; I548-V613 HydrophobicContact CD1-CG1 4.11Å; I548-D614 PolarHBondContact N-O 3.45Å; I548-I615 HydrophobicContact CB-CD1 4.17Å; I548-I615 WeakPolarHBondContact O-CA 3.43Å; I548-E616 PolarHBondContact O-N 3.31Å |
| 549 | P | 97.3 | Very high | 90.6 | Very high | 29 Ų | 29 | 43.7 Ų | 43.7 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 137.5 | 175.8 | -21.2 | 33.5 | 0 | 0 | 0 | 111.4 | T516 E551 A552 C553 | T516-P549 HydrophobicContact CG2-CG 3.65Å; P549-E551 PolarHBondContact O-N 2.89Å; P549-A552 VanDerWaalsContact O-CB 3.29Å; P549-A552 WeakPolarHBondContact O-CB 3.28Å; P549-A552 PolarHBondContact O-N 3.32Å; P549-C553 PolarHBondContact O-N 2.92Å |
| 550 | M | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.2 | -34.5 | 175.3 | 178 | 60.7 | 80.2 | 0 | 0 | 112.1 | V508 A552 C553 L554 I595 V597 I615 E616 L617 I631 Y904 | V508-M550 HydrophobicContact CG2-SD 4.39Å; M550-A552 PolarHBondContact O-N 3.13Å; M550-C553 WeakPolarHBondContact O-CB 3.44Å; M550-C553 PolarHBondContact O-N 3.47Å; M550-C553 VanDerWaalsContact O-N 3.14Å; M550-C553 HydrophobicContact SD-CB 4.36Å; M550-L554 HydrophobicContact CG-CD1 4.12Å; M550-L554 HydrophobicContact CG-CG 4.34Å; M550-L554 WeakPolarHBondContact O-CG 3.34Å; M550-L554 PolarHBondContact O-N 3.46Å; M550-L554 HydrophobicContact SD-CG 4.4Å; M550-I595 HydrophobicContact CE-CG2 4.47Å; M550-I595 HydrophobicContact SD-CG2 4.48Å; M550-V597 HydrophobicContact CE-CG2 4.08Å; M550-I615 HydrophobicContact CB-CG2 4.07Å; M550-I615 HydrophobicContact CE-CG2 3.67Å; M550-I615 HydrophobicContact SD-CG2 4.38Å; M550-E616 PolarHBondContact N-O 3.11Å; M550-L617 HydrophobicContact CB-CD2 3.58Å; M550-L617 HydrophobicContact CE-CD2 3.99Å; M550-L617 HydrophobicContact CG-CD2 3.73Å; M550-I631 HydrophobicContact CG-CG2 3.95Å; M550-Y904 HydrophobicContact CE-CD2 3.96Å; M550-Y904 HydrophobicContact CE-CE2 3.98Å; M550-Y904 HydrophobicContact CE-CG 4.3Å |
| 551 | E | 96.5 | Very high | 93.1 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.7 | -32.3 | 174.7 | -71.5 | 76.5 | -174.4 | 0 | 0 | 113.2 | P549 S555 K618 | P549-E551 PolarHBondContact O-N 2.89Å; E551-S555 VanDerWaalsContact O-CB 3.27Å; E551-S555 WeakPolarHBondContact O-CB 3.22Å; E551-S555 PolarHBondContact O-N 3.44Å; E551-S555 PolarHBondContact O-OG 3.4Å; E551-K618 WeakPolarHBondContact OE1-CD 3.23Å; E551-K618 WeakPolarHBondContact OE1-CE 3.25Å; E551-K618 WeakPolarHBondContact OE1-CG 3.4Å; E551-K618 IonicContact OE1-NZ 3.03Å; E551-K618 PolarHBondContact OE1-NZ 3.29Å |
| 552 | A | 97.3 | Very high | 94.3 | Very high | 23 Ų | 23 | 44.9 Ų | 44.9 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.1 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P511 A514 I548 P549 M550 L554 S555 A556 | P511-A552 HydrophobicContact CG-CB 4.15Å; A514-A552 HydrophobicContact CB-CB 3.6Å; I548-A552 HydrophobicContact CG2-CB 4.42Å; P549-A552 VanDerWaalsContact O-CB 3.29Å; P549-A552 WeakPolarHBondContact O-CB 3.28Å; P549-A552 PolarHBondContact O-N 3.32Å; M550-A552 PolarHBondContact O-N 3.13Å; A552-L554 PolarHBondContact O-N 3.37Å; A552-S555 PolarHBondContact O-N 3.3Å; A552-A556 WeakPolarHBondContact O-CB 3.32Å; A552-A556 PolarHBondContact O-N 2.88Å |
| 553 | C | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | 174.6 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | V508 P509 P549 M550 A556 W557 | V508-C553 HydrophobicContact CB-CB 4.03Å; V508-C553 HydrophobicContact CG2-CB 3.86Å; P509-C553 WeakPolarHBondContact O-CA 3.45Å; P509-C553 VanDerWaalsContact O-CB 3.26Å; P509-C553 WeakPolarHBondContact O-CB 3.33Å; P549-C553 PolarHBondContact O-N 2.92Å; M550-C553 WeakPolarHBondContact O-CB 3.44Å; M550-C553 PolarHBondContact O-N 3.47Å; M550-C553 VanDerWaalsContact O-N 3.14Å; M550-C553 HydrophobicContact SD-CB 4.36Å; C553-A556 PolarHBondContact O-N 3Å; C553-W557 PolarHBondContact O-N 2.88Å |
| 554 | L | 97.5 | Very high | 95.7 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 176.3 | -67.5 | 170.8 | 0 | 0 | 0 | 112.1 | L506 V508 M550 A552 A556 W557 A558 I595 L633 L636 | L506-L554 HydrophobicContact CD2-CD2 3.94Å; V508-L554 HydrophobicContact CG1-CD2 3.85Å; M550-L554 HydrophobicContact CG-CD1 4.12Å; M550-L554 HydrophobicContact CG-CG 4.34Å; M550-L554 WeakPolarHBondContact O-CG 3.34Å; M550-L554 PolarHBondContact O-N 3.46Å; M550-L554 HydrophobicContact SD-CG 4.4Å; A552-L554 PolarHBondContact O-N 3.37Å; L554-A556 VanDerWaalsContact C-N 3.35Å; L554-W557 PolarHBondContact O-N 3.26Å; L554-A558 PolarHBondContact O-N 2.81Å; L554-I595 HydrophobicContact CD2-CD1 4.2Å; L554-L633 HydrophobicContact CD1-CD2 3.81Å; L554-L633 HydrophobicContact CD2-CD2 4.14Å; L554-L636 HydrophobicContact CB-CD1 4.28Å; L554-L636 HydrophobicContact CD2-CD1 3.92Å |
| 555 | S | 96.6 | Very high | 95.8 | Very high | 70 Ų | 70 | 50 Ų | 50 | 49% | 0.49 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 177.7 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | E551 A552 A558 Q559 | E551-S555 VanDerWaalsContact O-CB 3.27Å; E551-S555 WeakPolarHBondContact O-CB 3.22Å; E551-S555 PolarHBondContact O-N 3.44Å; E551-S555 PolarHBondContact O-OG 3.4Å; A552-S555 PolarHBondContact O-N 3.3Å; S555-A558 CarbonylContact O-C 3.49Å; S555-A558 PolarHBondContact O-N 3.26Å; S555-Q559 PolarHBondContact O-N 3.21Å |
| 556 | A | 96.3 | Very high | 95.9 | Very high | 24 Ų | 24 | 50.1 Ų | 50.1 | 20% | 0.198 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P509 P511 A552 C553 L554 A558 Q559 | P509-A556 HydrophobicContact CG-CB 3.8Å; P511-A556 HydrophobicContact CB-CB 4.32Å; P511-A556 HydrophobicContact CG-CB 4.05Å; A552-A556 WeakPolarHBondContact O-CB 3.32Å; A552-A556 PolarHBondContact O-N 2.88Å; C553-A556 PolarHBondContact O-N 3Å; L554-A556 VanDerWaalsContact C-N 3.35Å; A556-A558 VanDerWaalsContact C-N 3.31Å; A556-A558 PolarHBondContact O-N 2.82Å; A556-Q559 WeakPolarHBondContact O-CB 3.46Å; A556-Q559 PolarHBondContact O-N 3.49Å |
| 557 | W | 97 | Very high | 95.8 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 12% | 0.121 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 173.1 | -179.8 | 89.9 | 0 | 0 | 0 | 112.9 | V484 L506 S507 V508 C553 L554 N584 L586 L636 | V484-W557 HydrophobicContact CG1-CH2 4.07Å; V484-W557 HydrophobicContact CG1-CZ2 3.83Å; V484-W557 HydrophobicContact CG2-CZ2 4.21Å; L506-W557 HydrophobicContact CD1-CD2 3.9Å; L506-W557 VanDerWaalsContact CD1-CE2 3.42Å; L506-W557 HydrophobicContact CD1-CE3 4.44Å; L506-W557 HydrophobicContact CD1-CG 4.38Å; L506-W557 HydrophobicContact CD1-CH2 4.16Å; L506-W557 HydrophobicContact CD1-CZ2 3.58Å; S507-W557 VanDerWaalsContact O-CD1 3.25Å; V508-W557 HydrophobicContact CG1-CB 4.44Å; C553-W557 PolarHBondContact O-N 2.88Å; L554-W557 PolarHBondContact O-N 3.26Å; W557-N584 HydrophobicContact CH2-CB 3.69Å; W557-N584 HydrophobicContact CZ2-CB 3.8Å; W557-N584 HydrophobicContact CZ3-CB 4.07Å; W557-L586 HydrophobicContact CH2-CD2 3.94Å; W557-L586 HydrophobicContact CH2-CG 4.17Å; W557-L586 HydrophobicContact CZ3-CG 4.33Å; W557-L636 HydrophobicContact CE3-CD2 4.05Å; W557-L636 HydrophobicContact CZ3-CD2 4.3Å |
| 558 | A | 95.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -1.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L554 S555 A556 R585 L636 | L554-A558 PolarHBondContact O-N 2.81Å; S555-A558 CarbonylContact O-C 3.49Å; S555-A558 PolarHBondContact O-N 3.26Å; A556-A558 VanDerWaalsContact C-N 3.31Å; A556-A558 PolarHBondContact O-N 2.82Å; A558-R585 PolarHBondContact O-NH1 3.06Å; A558-L636 HydrophobicContact CB-CD2 3.37Å |
| 559 | Q | 95.8 | Very high | 94.9 | Very high | 130 Ų | 130 | 56.2 Ų | 56.2 | 61% | 0.607 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -65 | 141.7 | -177.8 | -175.6 | 171.7 | -14.2 | 0 | 0 | 110.7 | S555 A556 E561 | S555-Q559 PolarHBondContact O-N 3.21Å; A556-Q559 WeakPolarHBondContact O-CB 3.46Å; A556-Q559 PolarHBondContact O-N 3.49Å; Q559-E561 PolarHBondContact O-N 2.92Å |
| 560 | T | 96.6 | Very high | 94.4 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 117.7 | 174.3 | -55 | 0 | 0 | 0 | 0 | 109.8 | L581 R582 | T560-L581 HydrophobicContact CG2-CB 3.78Å; T560-L581 HydrophobicContact CG2-CD2 4.24Å; T560-L581 HydrophobicContact CG2-CG 4.41Å; T560-R582 CarbonylContact C-O 3.46Å; T560-R582 VanDerWaalsContact CA-O 3.31Å; T560-R582 WeakPolarHBondContact CA-O 3.19Å |
| 561 | E | 95 | Very high | 93.9 | Very high | 95 Ų | 95 | 55.7 Ų | 55.7 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 140.6 | 176.1 | -175.1 | -174.3 | -177.2 | 0 | 0 | 110.3 | Q559 L581 R582 | Q559-E561 PolarHBondContact O-N 2.92Å; E561-L581 CarbonylContact O-C 3.59Å; E561-L581 WeakPolarHBondContact O-CA 3.37Å; E561-R582 PolarHBondContact N-O 3.45Å; E561-R582 PolarHBondContact O-N 3.49Å; E561-R582 IonicContact OE1-NH2 3.36Å; E561-R582 IonicContact OE2-CZ 3.36Å; E561-R582 IonicContact OE2-NE 2.69Å; E561-R582 PolarHBondContact OE2-NE 3.1Å; E561-R582 IonicContact OE2-NH2 3.57Å; E561-R582 PolarHBondContact OE2-NH2 3.25Å |
| 562 | R | 96.7 | Very high | 93.3 | Very high | 153 Ų | 153 | 62.5 Ų | 62.5 | 58% | 0.577 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 109.5 | 174.3 | -178.3 | 178.8 | 179.9 | 139.8 | 0.9 | 109.9 | F579 A580 L581 | R562-F579 HydrophobicContact CG-CB 4.28Å; R562-F579 HydrophobicContact CG-CD2 4.17Å; R562-F579 VanDerWaalsContact NH2-CD1 3.28Å; R562-A580 CarbonylContact C-O 3.22Å; R562-A580 WeakPolarHBondContact CA-O 3.47Å; R562-L581 HydrophobicContact CB-CD2 4.14Å; R562-L581 HydrophobicContact CG-CD2 4.27Å |
| 563 | I | 94.7 | Very high | 92.6 | Very high | 52 Ų | 52 | 66.5 Ų | 66.5 | 27% | 0.267 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 118.2 | 173.8 | -58.3 | 172.5 | 0 | 0 | 0 | 108.2 | L488 F579 A580 R582 | L488-I563 HydrophobicContact CD1-CD1 4.02Å; I563-F579 CarbonylContact O-C 3.5Å; I563-F579 WeakPolarHBondContact O-CA 3.17Å; I563-F579 WeakPolarHBondContact O-CB 3.48Å; I563-A580 HydrophobicContact CB-CB 4.47Å; I563-A580 PolarHBondContact N-O 3.23Å; I563-A580 PolarHBondContact O-N 2.8Å; I563-R582 HydrophobicContact CD1-CB 3.87Å; I563-R582 HydrophobicContact CG1-CB 4.43Å |
| 564 | T | 94.5 | Very high | 91.9 | Very high | 95 Ų | 95 | 69.3 Ų | 69.3 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 159.9 | 174.6 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | F566 | T564-F566 PolarHBondContact O-N 3.18Å; T564-F566 VanDerWaalsContact O-N 3.09Å |
| 565 | D | 91.5 | Very high | 91.3 | Very high | 122 Ų | 122 | 70.6 Ų | 70.6 | 65% | 0.652 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 57 | 25.6 | 176 | -56.1 | -53.4 | 0 | 0 | 0 | 115.6 | K567 T578 | D565-K567 PolarHBondContact O-N 2.8Å; D565-T578 CarbonylContact C-O 3.3Å; D565-T578 WeakPolarHBondContact CA-O 3.47Å; D565-T578 PolarHBondContact N-O 3.1Å |
| 566 | F | 92.1 | Very high | 90.9 | Very high | 38 Ų | 38 | 69 Ų | 69 | 17% | 0.167 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 122.9 | 175.3 | 177.9 | -110.4 | 0 | 0 | 0 | 111.1 | L488 T564 T568 K577 T578 A580 M651 | L488-F566 HydrophobicContact CD2-CE2 3.78Å; L488-F566 HydrophobicContact CD2-CZ 3.81Å; T564-F566 PolarHBondContact O-N 3.18Å; T564-F566 VanDerWaalsContact O-N 3.09Å; F566-T568 PolarHBondContact O-N 2.9Å; F566-K577 CarbonylContact O-C 3.59Å; F566-T578 HydrophobicContact CD1-CG2 4.11Å; F566-T578 PolarHBondContact N-O 2.96Å; F566-T578 PolarHBondContact O-N 3.07Å; F566-A580 HydrophobicContact CB-CB 3.96Å; F566-A580 HydrophobicContact CD1-CB 3.67Å; F566-A580 HydrophobicContact CD2-CB 4.07Å; F566-A580 HydrophobicContact CE1-CB 4.13Å; F566-A580 HydrophobicContact CG-CB 3.62Å; F566-M651 HydrophobicContact CE1-SD 4.49Å |
| 567 | K | 91 | Very high | 90.6 | Very high | 138 Ų | 138 | 75.3 Ų | 75.3 | 60% | 0.6 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 108.3 | 171.8 | -68.6 | -177.5 | -179.1 | 178.3 | 0 | 109.4 | D565 K577 | D565-K567 PolarHBondContact O-N 2.8Å; K567-K577 HydrophobicContact CG-CG 4.26Å |
| 568 | T | 88.2 | Confident | 90.4 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127.9 | -172.9 | -175 | 0 | 0 | 0 | 0 | 113.1 | C490 F566 A570 S571 G575 A576 T578 | C490-T568 WeakPolarHBondContact SG-CB 3.35Å; C490-T568 PolarHBondContact SG-OG1 2.95Å; F566-T568 PolarHBondContact O-N 2.9Å; T568-A570 PolarHBondContact O-N 3.35Å; T568-A570 WeakPolarHBondContact OG1-CB 3.32Å; T568-A570 PolarHBondContact OG1-N 3.16Å; T568-S571 WeakPolarHBondContact CG2-OG 3.45Å; T568-S571 PolarHBondContact O-OG 3.38Å; T568-G575 PolarHBondContact O-N 2.82Å; T568-A576 PolarHBondContact N-O 3.2Å; T568-T578 HydrophobicContact CG2-CG2 3.89Å |
| 569 | P | 88.5 | Confident | 90.3 | Very high | 42 Ų | 42 | 77.1 Ų | 77.1 | 27% | 0.273 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.3 | 171 | 27.4 | -33 | 0 | 0 | 0 | 112.5 | S571 M651 I657 | P569-S571 VanDerWaalsContact C-N 3.34Å; P569-S571 PolarHBondContact O-N 3.21Å; P569-M651 HydrophobicContact CG-SD 4.42Å; P569-I657 HydrophobicContact CB-CD1 3.67Å |
| 570 | A | 86.9 | Confident | 90.3 | Very high | 10 Ų | 10 | 70.9 Ų | 70.9 | 8% | 0.083 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -7.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T493 K495 T568 M651 | T493-A570 HydrophobicContact CG2-CB 4.08Å; T493-A570 VanDerWaalsContact OG1-CB 3.31Å; T493-A570 WeakPolarHBondContact OG1-CB 3.44Å; K495-A570 HydrophobicContact CB-CB 4.17Å; K495-A570 HydrophobicContact CD-CB 3.9Å; K495-A570 HydrophobicContact CG-CB 4.45Å; T568-A570 PolarHBondContact O-N 3.35Å; T568-A570 WeakPolarHBondContact OG1-CB 3.32Å; T568-A570 PolarHBondContact OG1-N 3.16Å; A570-M651 HydrophobicContact CB-CG 4.06Å; A570-M651 HydrophobicContact CB-SD 4.46Å |
| 571 | S | 86.1 | Confident | 90.3 | Very high | 9 Ų | 9 | 69.8 Ų | 69.8 | 6% | 0.063 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -80.9 | 161.2 | -178.8 | 48.6 | 0 | 0 | 0 | 0 | 112 | T568 P569 P573 P574 G575 A576 | T568-S571 WeakPolarHBondContact CG2-OG 3.45Å; T568-S571 PolarHBondContact O-OG 3.38Å; P569-S571 VanDerWaalsContact C-N 3.34Å; P569-S571 PolarHBondContact O-N 3.21Å; S571-P573 VanDerWaalsContact C-C 3.47Å; S571-P573 CarbonylContact C-O 3.43Å; S571-P573 VanDerWaalsContact C-O 3.3Å; S571-P573 WeakPolarHBondContact CB-O 3.35Å; S571-P573 CarbonylContact O-C 3.55Å; S571-P573 PolarHBondContact OG-O 3.46Å; S571-P574 VanDerWaalsContact O-CA 3.22Å; S571-P574 WeakPolarHBondContact O-CA 3.49Å; S571-G575 PolarHBondContact OG-N 3.04Å; S571-A576 VanDerWaalsContact OG-CB 3.26Å; S571-A576 WeakPolarHBondContact OG-CB 3.09Å; S571-A576 PolarHBondContact OG-N 2.88Å |
| 572 | Q | 84.3 | Confident | 90.4 | Very high | 186 Ų | 186 | 69.1 Ų | 69.1 | 87% | 0.869 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -122.3 | 111.3 | 169.4 | -72.8 | -180 | -6.5 | 0 | 0 | 108.2 | ||
| 573 | P | 82.6 | Confident | 90.4 | Very high | 108 Ų | 108 | 62.4 Ų | 62.4 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | S | Bend | cis | -67.2 | 154.7 | -5.6 | 30.6 | -35.1 | 0 | 0 | 0 | 112.2 | S571 | S571-P573 VanDerWaalsContact C-C 3.47Å; S571-P573 CarbonylContact C-O 3.43Å; S571-P573 VanDerWaalsContact C-O 3.3Å; S571-P573 WeakPolarHBondContact CB-O 3.35Å; S571-P573 CarbonylContact O-C 3.55Å; S571-P573 PolarHBondContact OG-O 3.46Å |
| 574 | P | 82.3 | Confident | 90.5 | Very high | 58 Ų | 58 | 61.4 Ų | 61.4 | 38% | 0.377 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 150.7 | 177.7 | 25.2 | -33.8 | 0 | 0 | 0 | 111.4 | S571 I657 | S571-P574 VanDerWaalsContact O-CA 3.22Å; S571-P574 WeakPolarHBondContact O-CA 3.49Å; P574-I657 HydrophobicContact CB-CD1 4.42Å; P574-I657 HydrophobicContact CB-CG2 4.43Å; P574-I657 HydrophobicContact CG-CG2 3.99Å |
| 575 | G | 84.5 | Confident | 90.6 | Very high | 35 Ų | 35 | 60 Ų | 60 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | 8.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T568 S571 K577 | T568-G575 PolarHBondContact O-N 2.82Å; S571-G575 PolarHBondContact OG-N 3.04Å; G575-K577 PolarHBondContact O-N 3.47Å |
| 576 | A | 88 | Confident | 90.8 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 135.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | L492 T568 S571 | L492-A576 HydrophobicContact CD2-CB 4.46Å; T568-A576 PolarHBondContact N-O 3.2Å; S571-A576 VanDerWaalsContact OG-CB 3.26Å; S571-A576 WeakPolarHBondContact OG-CB 3.09Å; S571-A576 PolarHBondContact OG-N 2.88Å |
| 577 | K | 90.6 | Very high | 91 | Very high | 155 Ų | 155 | 54.7 Ų | 54.7 | 67% | 0.674 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 129.3 | 177 | -67.5 | -174.5 | -179.9 | -176.2 | 0 | 110.3 | F566 K567 G575 | F566-K577 CarbonylContact O-C 3.59Å; K567-K577 HydrophobicContact CG-CG 4.26Å; G575-K577 PolarHBondContact O-N 3.47Å |
| 578 | T | 92.6 | Very high | 91.2 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 15% | 0.153 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | -161 | 177.5 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | L492 D565 F566 T568 | L492-T578 HydrophobicContact CB-CG2 4.18Å; D565-T578 CarbonylContact C-O 3.3Å; D565-T578 WeakPolarHBondContact CA-O 3.47Å; D565-T578 PolarHBondContact N-O 3.1Å; F566-T578 HydrophobicContact CD1-CG2 4.11Å; F566-T578 PolarHBondContact N-O 2.96Å; F566-T578 PolarHBondContact O-N 3.07Å; T568-T578 HydrophobicContact CG2-CG2 3.89Å |
| 579 | F | 94.5 | Very high | 91.6 | Very high | 55 Ų | 55 | 48.6 Ų | 48.6 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 158.7 | 167.4 | 67.2 | -84.2 | 0 | 0 | 0 | 110.2 | G491 R562 I563 L581 | G491-F579 WeakPolarHBondContact CA-O 3.35Å; G491-F579 PolarHBondContact N-O 3.43Å; R562-F579 HydrophobicContact CG-CB 4.28Å; R562-F579 HydrophobicContact CG-CD2 4.17Å; R562-F579 VanDerWaalsContact NH2-CD1 3.28Å; I563-F579 CarbonylContact O-C 3.5Å; I563-F579 WeakPolarHBondContact O-CA 3.17Å; I563-F579 WeakPolarHBondContact O-CB 3.48Å; F579-L581 HydrophobicContact CD2-CD2 4.25Å; F579-L581 HydrophobicContact CD2-CG 4.44Å; F579-L581 HydrophobicContact CE2-CD2 4.24Å; F579-L581 HydrophobicContact CE2-CG 4.23Å |
| 580 | A | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 151.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L488 Q489 R562 I563 F566 | L488-A580 HydrophobicContact CD1-CB 3.63Å; L488-A580 HydrophobicContact CG-CB 4.08Å; Q489-A580 CarbonylContact O-C 3.56Å; Q489-A580 WeakPolarHBondContact O-CA 3.49Å; R562-A580 CarbonylContact C-O 3.22Å; R562-A580 WeakPolarHBondContact CA-O 3.47Å; I563-A580 HydrophobicContact CB-CB 4.47Å; I563-A580 PolarHBondContact N-O 3.23Å; I563-A580 PolarHBondContact O-N 2.8Å; F566-A580 HydrophobicContact CB-CB 3.96Å; F566-A580 HydrophobicContact CD1-CB 3.67Å; F566-A580 HydrophobicContact CD2-CB 4.07Å; F566-A580 HydrophobicContact CE1-CB 4.13Å; F566-A580 HydrophobicContact CG-CB 3.62Å |
| 581 | L | 97 | Very high | 92.4 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 116.6 | 171.9 | -60.8 | 179.4 | 0 | 0 | 0 | 108.5 | L488 Q489 T560 E561 R562 F579 | L488-L581 CarbonylContact C-O 3.51Å; L488-L581 WeakPolarHBondContact CA-O 3.49Å; Q489-L581 HydrophobicContact CB-CB 4.36Å; Q489-L581 PolarHBondContact N-O 2.74Å; Q489-L581 PolarHBondContact O-N 3.17Å; T560-L581 HydrophobicContact CG2-CB 3.78Å; T560-L581 HydrophobicContact CG2-CD2 4.24Å; T560-L581 HydrophobicContact CG2-CG 4.41Å; E561-L581 CarbonylContact O-C 3.59Å; E561-L581 WeakPolarHBondContact O-CA 3.37Å; R562-L581 HydrophobicContact CB-CD2 4.14Å; R562-L581 HydrophobicContact CG-CD2 4.27Å; F579-L581 HydrophobicContact CD2-CD2 4.25Å; F579-L581 HydrophobicContact CD2-CG 4.44Å; F579-L581 HydrophobicContact CE2-CD2 4.24Å; F579-L581 HydrophobicContact CE2-CG 4.23Å |
| 582 | R | 96.6 | Very high | 92.9 | Very high | 80 Ų | 80 | 47.4 Ų | 47.4 | 30% | 0.302 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 137.8 | 177.8 | -179.1 | 172.4 | 69.9 | 164.1 | 2 | 110.1 | E486 R487 L488 T560 E561 I563 | E486-R582 HydrophobicContact CG-CG 3.89Å; E486-R582 WeakPolarHBondContact OE2-CD 3.3Å; E486-R582 IonicContact OE2-NH1 3.84Å; R487-R582 CarbonylContact O-C 3.46Å; R487-R582 WeakPolarHBondContact O-CA 3.42Å; L488-R582 HydrophobicContact CD1-CB 4.01Å; T560-R582 CarbonylContact C-O 3.46Å; T560-R582 VanDerWaalsContact CA-O 3.31Å; T560-R582 WeakPolarHBondContact CA-O 3.19Å; E561-R582 PolarHBondContact N-O 3.45Å; E561-R582 PolarHBondContact O-N 3.49Å; E561-R582 IonicContact OE1-NH2 3.36Å; E561-R582 IonicContact OE2-CZ 3.36Å; E561-R582 IonicContact OE2-NE 2.69Å; E561-R582 PolarHBondContact OE2-NE 3.1Å; E561-R582 IonicContact OE2-NH2 3.57Å; E561-R582 PolarHBondContact OE2-NH2 3.25Å; I563-R582 HydrophobicContact CD1-CB 3.87Å; I563-R582 HydrophobicContact CG1-CB 4.43Å |
| 583 | S | 95.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 141.3 | 174.9 | 59.6 | 0 | 0 | 0 | 0 | 111.4 | R487 | R487-S583 PolarHBondContact N-O 3.27Å; R487-S583 PolarHBondContact O-N 3.12Å |
| 584 | N | 96.7 | Very high | 94.3 | Very high | 31 Ų | 31 | 33.5 Ų | 33.5 | 17% | 0.166 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 141.8 | -177.3 | -61.7 | -18.1 | 0 | 0 | 0 | 111.8 | V484 E485 W557 | V484-N584 HydrophobicContact CG1-CB 4.18Å; E485-N584 CarbonylContact O-C 3.6Å; E485-N584 WeakPolarHBondContact O-CA 3.45Å; W557-N584 HydrophobicContact CH2-CB 3.69Å; W557-N584 HydrophobicContact CZ2-CB 3.8Å; W557-N584 HydrophobicContact CZ3-CB 4.07Å |
| 585 | R | 96.6 | Very high | 95 | Very high | 65 Ų | 65 | 30.8 Ų | 30.8 | 25% | 0.245 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 152.5 | 175.2 | -67.7 | -64.5 | -179.1 | -85.5 | 5 | 111.2 | E485 A558 L636 A638 | E485-R585 PolarHBondContact N-O 2.8Å; E485-R585 PolarHBondContact O-N 3.18Å; A558-R585 PolarHBondContact O-NH1 3.06Å; R585-L636 WeakPolarHBondContact CA-O 3.44Å; R585-L636 WeakPolarHBondContact CD-O 3.19Å; R585-A638 HydrophobicContact CB-CB 3.8Å |
| 586 | L | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 128.3 | 177.7 | -63.5 | 175 | 0 | 0 | 0 | 110.5 | F482 G483 V484 L506 W557 F589 L633 L636 A638 | F482-L586 HydrophobicContact CD2-CD2 3.46Å; F482-L586 VanDerWaalsContact CD2-CD2 3.46Å; F482-L586 HydrophobicContact CE2-CD2 3.84Å; F482-L586 HydrophobicContact CG-CD2 4.31Å; G483-L586 WeakPolarHBondContact O-CA 3.29Å; V484-L586 HydrophobicContact CG2-CD2 4.32Å; L506-L586 HydrophobicContact CD1-CD2 4.44Å; W557-L586 HydrophobicContact CH2-CD2 3.94Å; W557-L586 HydrophobicContact CH2-CG 4.17Å; W557-L586 HydrophobicContact CZ3-CG 4.33Å; L586-F589 HydrophobicContact CB-CD1 4.41Å; L586-F589 HydrophobicContact CB-CE1 3.98Å; L586-F589 HydrophobicContact CD1-CD1 4.34Å; L586-F589 HydrophobicContact CD1-CE1 3.97Å; L586-L633 HydrophobicContact CD1-CD1 4.32Å; L586-L636 HydrophobicContact CD1-CB 3.94Å; L586-L636 HydrophobicContact CD1-CD1 4.07Å; L586-L636 HydrophobicContact CG-CB 4.25Å; L586-L636 PolarHBondContact N-O 2.91Å; L586-A638 WeakPolarHBondContact O-CB 3.13Å; L586-A638 PolarHBondContact O-N 3.39Å |
| 587 | T | 95.1 | Very high | 96.1 | Very high | 47 Ų | 47 | 29 Ų | 29 | 29% | 0.288 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -82.8 | -27.5 | -179.7 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | G483 E485 T500 | G483-T587 WeakPolarHBondContact CA-OG1 3.35Å; G483-T587 PolarHBondContact O-N 2.95Å; G483-T587 PolarHBondContact O-OG1 3.3Å; E485-T587 HydrophobicContact CB-CG2 3.81Å; T500-T587 HydrophobicContact CG2-CG2 4.03Å |
| 588 | N | 95.1 | Very high | 96.3 | Very high | 9 Ų | 9 | 22.6 Ų | 22.6 | 5% | 0.048 | 11% | 0.114 | C | C | . | . | trans | -146.3 | 162.1 | 178.1 | 69.8 | -67.1 | 0 | 0 | 0 | 110.6 | R481 F482 G483 L823 S824 D825 | R481-N588 PolarHBondContact O-ND2 3.46Å; F482-N588 WeakPolarHBondContact CA-OD1 3.29Å; G483-N588 PolarHBondContact N-OD1 2.95Å; N588-L823 WeakPolarHBondContact OD1-CD1 3.4Å; N588-S824 PolarHBondContact ND2-O 2.61Å; N588-D825 WeakPolarHBondContact CA-OD1 3.35Å; N588-D825 HydrophobicContact CB-CB 4.04Å | ||
| 589 | F | 96.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | trans | -112.5 | 105.6 | 175.9 | -69 | -20.4 | 0 | 0 | 0 | 109.8 | L586 L633 R637 S824 D825 S827 S828 Y830 R908 | L586-F589 HydrophobicContact CB-CD1 4.41Å; L586-F589 HydrophobicContact CB-CE1 3.98Å; L586-F589 HydrophobicContact CD1-CD1 4.34Å; L586-F589 HydrophobicContact CD1-CE1 3.97Å; F589-L633 HydrophobicContact CE1-CB 3.94Å; F589-L633 HydrophobicContact CZ-CB 3.95Å; F589-L633 WeakPolarHBondContact CZ-O 3.25Å; F589-R637 HydrophobicContact CE2-CB 4.4Å; F589-R637 VanDerWaalsContact CE2-NE 3.29Å; F589-R637 VanDerWaalsContact CE2-NH2 3.34Å; F589-R637 HydrophobicContact CZ-CB 3.76Å; F589-R637 HydrophobicContact CZ-CG 4.45Å; F589-S824 CarbonylContact C-O 3.58Å; F589-S824 VanDerWaalsContact O-O 3.13Å; F589-D825 PolarHBondContact N-OD1 3.13Å; F589-D825 WeakPolarHBondContact O-CA 3.3Å; F589-S827 WeakPolarHBondContact CD2-O 3.41Å; F589-S828 VanDerWaalsContact CE2-CB 3.48Å; F589-Y830 WeakPolarHBondContact CA-OH 3.46Å; F589-Y830 HydrophobicContact CB-CE2 4.39Å; F589-Y830 VanDerWaalsContact CB-OH 3.29Å; F589-Y830 WeakPolarHBondContact CB-OH 3.26Å; F589-R908 PolarHBondContact O-NH1 2.73Å | ||
| 590 | P | 96 | Very high | 95.9 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.013 | 11% | 0.108 | C | C | . | . | trans | -66.5 | 164.5 | -176.6 | 27.7 | -35.3 | 0 | 0 | 0 | 112.6 | V479 F482 Y592 L593 S824 Y830 R908 | V479-P590 WeakPolarHBondContact O-CB 3.36Å; F482-P590 HydrophobicContact CB-CG 4.04Å; F482-P590 HydrophobicContact CD1-CG 4.29Å; P590-Y592 VanDerWaalsContact CB-O 3.32Å; P590-Y592 WeakPolarHBondContact CB-O 3.45Å; P590-Y592 WeakPolarHBondContact CG-O 3.47Å; P590-Y592 PolarHBondContact O-N 3.06Å; P590-L593 HydrophobicContact CG-CD1 4.26Å; P590-S824 WeakPolarHBondContact CA-OG 3.23Å; P590-Y830 VanDerWaalsContact CD-OH 3.32Å; P590-Y830 WeakPolarHBondContact CD-OH 3.44Å; P590-Y830 WeakPolarHBondContact O-CE1 3.37Å; P590-Y830 PolarHBondContact O-OH 3.1Å; P590-R908 PolarHBondContact O-NH1 3.06Å | ||
| 591 | N | 95.9 | Very high | 95.4 | Very high | 31 Ų | 31 | 24 Ų | 24 | 17% | 0.166 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -64.6 | -34.2 | 176.1 | -71.4 | -5.7 | 0 | 0 | 0 | 111.6 | V479 S824 R908 A911 | V479-N591 HydrophobicContact CB-CB 4.38Å; V479-N591 PolarHBondContact O-N 2.78Å; V479-N591 VanDerWaalsContact O-N 3.14Å; N591-S824 PolarHBondContact N-OG 2.93Å; N591-S824 VanDerWaalsContact N-OG 3.12Å; N591-S824 WeakPolarHBondContact OD1-CB 3.43Å; N591-S824 PolarHBondContact OD1-OG 2.98Å; N591-R908 PolarHBondContact O-N 3Å; N591-R908 VanDerWaalsContact OD1-CZ 3.26Å; N591-R908 PolarHBondContact OD1-NH1 2.83Å; N591-R908 PolarHBondContact OD1-NH2 2.86Å; N591-A911 HydrophobicContact CB-CB 4.01Å |
| 592 | Y | 97.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 143.2 | 175.3 | -63.6 | -93.3 | 0 | 0 | 0 | 109.8 | I353 Q355 V479 M480 P590 F833 F856 F906 R907 D913 | I353-Y592 HydrophobicContact CD1-CG 4.48Å; I353-Y592 HydrophobicContact CG1-CD1 4.16Å; I353-Y592 HydrophobicContact CG1-CE1 4.24Å; I353-Y592 HydrophobicContact CG2-CD2 3.99Å; I353-Y592 HydrophobicContact CG2-CE1 4.28Å; I353-Y592 HydrophobicContact CG2-CE2 3.72Å; I353-Y592 HydrophobicContact CG2-CG 4.36Å; Q355-Y592 VanDerWaalsContact OE1-CE2 3.24Å; V479-Y592 HydrophobicContact CB-CD2 4.16Å; V479-Y592 HydrophobicContact CG2-CD2 3.69Å; V479-Y592 HydrophobicContact CG2-CE2 4.28Å; V479-Y592 PolarHBondContact O-N 3.14Å; M480-Y592 WeakPolarHBondContact CA-O 3.37Å; P590-Y592 VanDerWaalsContact CB-O 3.32Å; P590-Y592 WeakPolarHBondContact CB-O 3.45Å; P590-Y592 WeakPolarHBondContact CG-O 3.47Å; P590-Y592 PolarHBondContact O-N 3.06Å; Y592-F833 HydrophobicContact CD1-CD1 4.44Å; Y592-F833 AromaticContact CD1-CE1 3.62Å; Y592-F833 HydrophobicContact CD1-CE1 3.62Å; Y592-F833 AromaticContact CD1-CZ 3.77Å; Y592-F833 HydrophobicContact CD1-CZ 3.77Å; Y592-F833 HydrophobicContact CE1-CE1 4.16Å; Y592-F833 HydrophobicContact CE1-CZ 4.14Å; Y592-F856 HydrophobicContact CE1-CE1 4.3Å; Y592-F906 CarbonylContact C-O 3.59Å; Y592-F906 WeakPolarHBondContact CA-O 3.41Å; Y592-R907 HydrophobicContact CD1-CB 4.06Å; Y592-R907 HydrophobicContact CD1-CG 4.25Å; Y592-R907 HydrophobicContact CE1-CB 3.97Å; Y592-R907 HydrophobicContact CE1-CG 3.89Å; Y592-D913 PolarHBondContact OH-OD1 3.2Å; Y592-D913 VanDerWaalsContact OH-OD1 3.07Å |
| 593 | L | 97.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 126.5 | 179.5 | -179.6 | 68.9 | 0 | 0 | 0 | 110.1 | F482 L506 P590 I595 I631 L633 Y830 F905 F906 | F482-L593 HydrophobicContact CD1-CD1 3.8Å; F482-L593 HydrophobicContact CE1-CD1 3.81Å; L506-L593 HydrophobicContact CB-CD1 4.4Å; P590-L593 HydrophobicContact CG-CD1 4.26Å; L593-I595 HydrophobicContact CD2-CD1 3.92Å; L593-I595 HydrophobicContact CD2-CG1 3.94Å; L593-I595 HydrophobicContact CG-CG1 3.99Å; L593-I631 HydrophobicContact CD2-CD1 4.27Å; L593-L633 HydrophobicContact CD2-CD1 3.41Å; L593-L633 VanDerWaalsContact CD2-CD1 3.41Å; L593-Y830 HydrophobicContact CB-CD1 4.11Å; L593-Y830 HydrophobicContact CB-CE1 3.76Å; L593-F905 WeakPolarHBondContact O-CA 3.46Å; L593-F906 PolarHBondContact N-O 2.83Å; L593-F906 PolarHBondContact O-N 3.2Å |
| 594 | C | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.1 | 168.5 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | M480 I505 L506 Y904 F905 | M480-C594 HydrophobicContact CE-CB 4.03Å; I505-C594 HydrophobicContact CG1-CB 4.22Å; L506-C594 PolarHBondContact N-O 3.21Å; C594-Y904 CarbonylContact C-O 3.5Å; C594-Y904 WeakPolarHBondContact CA-O 3.38Å; C594-F905 HydrophobicContact CB-CD1 4.04Å; C594-F905 HydrophobicContact CB-CE1 3.94Å; C594-F905 WeakPolarHBondContact SG-CE1 3.08Å |
| 595 | I | 98.4 | Very high | 92 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122 | 174.2 | -58.9 | -173.5 | 0 | 0 | 0 | 108.3 | L506 V508 M550 L554 L593 I631 L903 Y904 F906 | L506-I595 HydrophobicContact CB-CG1 4.32Å; L506-I595 HydrophobicContact CD2-CD1 4.4Å; L506-I595 HydrophobicContact CD2-CG1 4.4Å; L506-I595 WeakPolarHBondContact O-CA 3.4Å; L506-I595 WeakPolarHBondContact O-CG2 3.37Å; V508-I595 HydrophobicContact CB-CG2 4.44Å; V508-I595 HydrophobicContact CG1-CG2 3.92Å; V508-I595 HydrophobicContact CG2-CG2 3.66Å; M550-I595 HydrophobicContact CE-CG2 4.47Å; M550-I595 HydrophobicContact SD-CG2 4.48Å; L554-I595 HydrophobicContact CD2-CD1 4.2Å; L593-I595 HydrophobicContact CD2-CD1 3.92Å; L593-I595 HydrophobicContact CD2-CG1 3.94Å; L593-I595 HydrophobicContact CG-CG1 3.99Å; I595-I631 HydrophobicContact CD1-CD1 3.55Å; I595-L903 CarbonylContact O-C 3.46Å; I595-L903 WeakPolarHBondContact O-CA 3.38Å; I595-Y904 PolarHBondContact N-O 3.32Å; I595-Y904 PolarHBondContact O-N 3.39Å; I595-F906 HydrophobicContact CB-CE2 4.38Å; I595-F906 HydrophobicContact CD1-CD2 4.18Å; I595-F906 HydrophobicContact CD1-CE2 3.77Å; I595-F906 HydrophobicContact CG1-CD2 4.3Å; I595-F906 HydrophobicContact CG1-CE2 4.11Å |
| 596 | Q | 97.7 | Very high | 91.1 | Very high | 37 Ų | 37 | 40.2 Ų | 40.2 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 125.4 | 168.1 | -179.7 | -153.8 | 10.1 | 0 | 0 | 108.6 | I505 L506 S507 V508 Y902 L903 | I505-Q596 HydrophobicContact CG2-CB 3.61Å; L506-Q596 PolarHBondContact O-N 3.25Å; S507-Q596 CarbonylContact C-O 3.56Å; S507-Q596 WeakPolarHBondContact CA-O 3.5Å; S507-Q596 PolarHBondContact OG-OE1 2.78Å; V508-Q596 PolarHBondContact N-O 3.44Å; Q596-Y902 HydrophobicContact CG-CD2 4.47Å; Q596-Y902 HydrophobicContact CG-CE2 3.79Å; Q596-Y902 PolarHBondContact NE2-OH 3.44Å; Q596-L903 HydrophobicContact CB-CD2 3.56Å; Q596-L903 HydrophobicContact CG-CD2 3.73Å |
| 597 | V | 97.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.4 | 170.1 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | V508 V510 M550 R599 I615 Y902 Y904 | V508-V597 HydrophobicContact CG2-CG2 4.06Å; V510-V597 HydrophobicContact CG2-CG1 3.37Å; M550-V597 HydrophobicContact CE-CG2 4.08Å; V597-R599 HydrophobicContact CB-CG 4.28Å; V597-R599 HydrophobicContact CG1-CG 3.84Å; V597-R599 PolarHBondContact O-N 2.91Å; V597-I615 HydrophobicContact CG1-CD1 4.02Å; V597-I615 HydrophobicContact CG1-CG1 4.02Å; V597-I615 HydrophobicContact CG2-CG1 4.4Å; V597-Y902 PolarHBondContact N-O 3.03Å; V597-Y904 HydrophobicContact CG2-CD2 3.83Å; V597-Y904 HydrophobicContact CG2-CE2 3.45Å; V597-Y904 VanDerWaalsContact CG2-CE2 3.45Å |
| 598 | G | 93.9 | Very high | 89.3 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | trans | -68.1 | 62 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V508 | V508-G598 PolarHBondContact O-N 3.27Š| ||
| 599 | R | 91.4 | Very high | 88.7 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | trans | -74.3 | -30.1 | 179.1 | -65.7 | 179.3 | 176.3 | -83.9 | 3 | 112 | V597 K610 L611 V613 R899 A901 | V597-R599 HydrophobicContact CB-CG 4.28Å; V597-R599 HydrophobicContact CG1-CG 3.84Å; V597-R599 PolarHBondContact O-N 2.91Å; R599-K610 HydrophobicContact CB-CG 4.46Å; R599-K610 CarbonylContact O-C 3.58Å; R599-K610 WeakPolarHBondContact O-CA 3.34Å; R599-L611 WeakPolarHBondContact O-CG 3.28Å; R599-L611 PolarHBondContact O-N 3.01Å; R599-V613 VanDerWaalsContact NH1-CG2 3.31Å; R599-V613 PolarHBondContact NH1-O 3.41Å; R599-V613 PolarHBondContact NH2-O 3Å; R599-R899 PolarHBondContact NH2-O 2.83Å; R599-A901 PolarHBondContact NE-O 2.84Å; R599-A901 PolarHBondContact NH2-O 2.93Å; R599-A901 VanDerWaalsContact NH2-O 3.16Å | ||
| 600 | F | 88.5 | Confident | 88.3 | Confident | 52 Ų | 52 | 55.5 Ų | 55.5 | 23% | 0.228 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 117.3 | 175.5 | -58.7 | -75.8 | 0 | 0 | 0 | 108.5 | K610 H838 T843 Y902 | F600-K610 HydrophobicContact CD1-CB 3.98Å; F600-K610 HydrophobicContact CD1-CG 4.17Å; F600-K610 HydrophobicContact CE1-CB 3.99Å; F600-K610 HydrophobicContact CE1-CD 3.94Å; F600-K610 HydrophobicContact CE1-CG 3.92Å; F600-K610 HydrophobicContact CZ-CD 4.35Å; F600-H838 AromaticContact CZ-CE1 3.89Å; F600-H838 AromaticContact CZ-ND1 3.5Å; F600-T843 HydrophobicContact CD1-CG2 3.97Å; F600-T843 HydrophobicContact CD2-CG2 3.5Å; F600-T843 HydrophobicContact CE1-CG2 3.89Å; F600-T843 HydrophobicContact CE2-CG2 3.42Å; F600-T843 VanDerWaalsContact CE2-CG2 3.42Å; F600-T843 HydrophobicContact CG-CG2 3.76Å; F600-T843 HydrophobicContact CZ-CG2 3.6Å; F600-Y902 HydrophobicContact CD2-CD2 4.35Å; F600-Y902 AromaticContact CD2-CE2 3.7Å; F600-Y902 HydrophobicContact CD2-CE2 3.7Å; F600-Y902 AromaticContact CE2-CD2 3.99Å; F600-Y902 HydrophobicContact CE2-CD2 3.99Å; F600-Y902 HydrophobicContact CE2-CE1 4.39Å; F600-Y902 AromaticContact CE2-CE2 3.65Å; F600-Y902 HydrophobicContact CE2-CE2 3.65Å; F600-Y902 AromaticContact CE2-CZ 3.85Å |
| 601 | T | 84.2 | Confident | 87.9 | Confident | 51 Ų | 51 | 56.5 Ų | 56.5 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 168.2 | -176.1 | 60.5 | 0 | 0 | 0 | 0 | 109.5 | K609 L611 | T601-K609 PolarHBondContact N-O 2.65Å; T601-K609 PolarHBondContact O-N 3.38Å; T601-K609 VanDerWaalsContact O-O 3.1Å; T601-K609 PolarHBondContact OG1-O 2.71Å; T601-L611 HydrophobicContact CG2-CD1 3.75Å; T601-L611 HydrophobicContact CG2-CG 4.09Å |
| 602 | V | 82.9 | Confident | 87.5 | Confident | 92 Ų | 92 | 57.9 Ų | 57.9 | 56% | 0.558 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127 | 175.1 | -179 | 0 | 0 | 0 | 0 | 108.5 | W606 | V602-W606 VanDerWaalsContact CG1-CA 3.46Å; V602-W606 HydrophobicContact CG1-CB 4.3Å; V602-W606 HydrophobicContact CG1-CE3 3.99Å |
| 603 | G | 76 | Confident | 87.3 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | trans | -67.7 | 172.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D605 W606 L607 | G603-D605 WeakPolarHBondContact CA-OD1 3.44Å; G603-D605 PolarHBondContact O-N 3.42Å; G603-W606 PolarHBondContact O-N 3.11Å; G603-L607 PolarHBondContact N-O 2.99Å | ||
| 604 | T | 78 | Confident | 87.1 | Confident | 152 Ų | 152 | 58.7 Ų | 58.7 | 93% | 0.933 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -19.1 | 176.4 | 46.1 | 0 | 0 | 0 | 0 | 113.2 | W606 | T604-W606 VanDerWaalsContact C-N 3.33Š|
| 605 | D | 77.9 | Confident | 87 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 5.1 | 173.4 | 56.5 | -7.4 | 0 | 0 | 0 | 113.6 | G603 L607 | G603-D605 WeakPolarHBondContact CA-OD1 3.44Å; G603-D605 PolarHBondContact O-N 3.42Å; D605-L607 HydrophobicContact CB-CG 4.41Å; D605-L607 PolarHBondContact O-N 3.2Å; D605-L607 PolarHBondContact OD1-N 3.07Å; D605-L607 WeakPolarHBondContact OD2-CD1 3.45Å |
| 606 | W | 78.5 | Confident | 86.9 | Confident | 219 Ų | 219 | 62 Ų | 62 | 83% | 0.83 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 63.8 | 14.3 | -173.2 | -61 | 88.3 | 0 | 0 | 0 | 114.8 | V602 G603 T604 | V602-W606 VanDerWaalsContact CG1-CA 3.46Å; V602-W606 HydrophobicContact CG1-CB 4.3Å; V602-W606 HydrophobicContact CG1-CE3 3.99Å; G603-W606 PolarHBondContact O-N 3.11Å; T604-W606 VanDerWaalsContact C-N 3.33Å |
| 607 | L | 75.4 | Confident | 86.9 | Confident | 104 Ų | 104 | 60.6 Ų | 60.6 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | trans | -88.7 | 143.3 | 175 | -64.5 | -177.9 | 0 | 0 | 0 | 111.5 | G603 D605 K609 | G603-L607 PolarHBondContact N-O 2.99Å; D605-L607 HydrophobicContact CB-CG 4.41Å; D605-L607 PolarHBondContact O-N 3.2Å; D605-L607 PolarHBondContact OD1-N 3.07Å; D605-L607 WeakPolarHBondContact OD2-CD1 3.45Å; L607-K609 PolarHBondContact O-N 2.97Å | ||
| 608 | P | 79 | Confident | 86.7 | Confident | 114 Ų | 114 | 66.2 Ų | 66.2 | 74% | 0.74 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 132.5 | 172.1 | -23 | 33.5 | 0 | 0 | 0 | 111.7 | ||
| 609 | K | 81.6 | Confident | 86.6 | Confident | 125 Ų | 125 | 69 Ų | 69 | 54% | 0.543 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 129.7 | 179.6 | -178.8 | -179.5 | 177.2 | -177.2 | 0 | 110.4 | T601 L607 | T601-K609 PolarHBondContact N-O 2.65Å; T601-K609 PolarHBondContact O-N 3.38Å; T601-K609 VanDerWaalsContact O-O 3.1Å; T601-K609 PolarHBondContact OG1-O 2.71Å; L607-K609 PolarHBondContact O-N 2.97Å |
| 610 | K | 87.7 | Confident | 86.3 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 17% | 0.165 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.9 | 167.9 | -173.5 | -175.5 | 177.1 | -163.7 | 0 | 110.8 | E312 R599 F600 D612 H838 G840 K841 | E312-K610 IonicContact OE2-NZ 2.65Å; R599-K610 HydrophobicContact CB-CG 4.46Å; R599-K610 CarbonylContact O-C 3.58Å; R599-K610 WeakPolarHBondContact O-CA 3.34Å; F600-K610 HydrophobicContact CD1-CB 3.98Å; F600-K610 HydrophobicContact CD1-CG 4.17Å; F600-K610 HydrophobicContact CE1-CB 3.99Å; F600-K610 HydrophobicContact CE1-CD 3.94Å; F600-K610 HydrophobicContact CE1-CG 3.92Å; F600-K610 HydrophobicContact CZ-CD 4.35Å; K610-D612 PolarHBondContact O-N 3.39Å; K610-H838 PolarHBondContact NZ-O 3.46Å; K610-G840 WeakPolarHBondContact CD-O 3.41Å; K610-G840 WeakPolarHBondContact CE-O 3.37Å; K610-G840 PolarHBondContact NZ-O 2.93Å; K610-K841 WeakPolarHBondContact CB-O 3.36Å |
| 611 | L | 88.6 | Confident | 85.9 | Confident | 23 Ų | 23 | 74.6 Ų | 74.6 | 12% | 0.12 | 40% | 0.403 | C | S | . | . | trans | -78.5 | 111.9 | 171.9 | -60.6 | 179.4 | 0 | 0 | 0 | 109.7 | V510 M512 R599 T601 V613 | V510-L611 HydrophobicContact CB-CD1 3.81Å; V510-L611 HydrophobicContact CG1-CD1 3.9Å; V510-L611 HydrophobicContact CG2-CD1 4.39Å; M512-L611 HydrophobicContact SD-CD1 4.46Å; R599-L611 WeakPolarHBondContact O-CG 3.28Å; R599-L611 PolarHBondContact O-N 3.01Å; T601-L611 HydrophobicContact CG2-CD1 3.75Å; T601-L611 HydrophobicContact CG2-CG 4.09Å; L611-V613 HydrophobicContact CB-CG1 4.16Å; L611-V613 HydrophobicContact CB-CG2 4.42Å; L611-V613 PolarHBondContact O-N 3.5Å; L611-V613 VanDerWaalsContact O-N 3.16Å | ||
| 612 | D | 87.7 | Confident | 85.1 | Confident | 59 Ų | 59 | 73 Ų | 73 | 32% | 0.316 | 40% | 0.396 | S | S | . | . | trans | -82.6 | 82.6 | 171.8 | -174.2 | 27.6 | 0 | 0 | 0 | 109.9 | R545 P546 K610 | R545-D612 VanDerWaalsContact CD-OD1 3.26Å; R545-D612 WeakPolarHBondContact CD-OD1 3.4Å; R545-D612 IonicContact CZ-OD1 3.68Å; R545-D612 IonicContact CZ-OD2 3.68Å; R545-D612 VanDerWaalsContact NE-CG 3.3Å; R545-D612 IonicContact NE-OD1 3.46Å; R545-D612 PolarHBondContact NE-OD1 2.99Å; R545-D612 IonicContact NE-OD2 2.79Å; R545-D612 PolarHBondContact NE-OD2 3.35Å; R545-D612 VanDerWaalsContact NE-OD2 3.08Å; R545-D612 IonicContact NH2-OD2 2.63Å; P546-D612 VanDerWaalsContact CD-O 3.31Å; P546-D612 WeakPolarHBondContact CD-O 3.48Å; K610-D612 PolarHBondContact O-N 3.39Å | ||
| 613 | V | 91.9 | Very high | 84.2 | Confident | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.012 | 41% | 0.414 | C | S | . | . | trans | -126.4 | 153.2 | -176.5 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | V510 M512 P546 I548 R599 L611 I615 | V510-V613 HydrophobicContact CG1-CG1 4.5Å; V510-V613 HydrophobicContact CG1-CG2 3.98Å; M512-V613 HydrophobicContact CE-CG1 4.42Å; M512-V613 HydrophobicContact SD-CG1 3.94Å; P546-V613 HydrophobicContact CB-CG1 4.14Å; P546-V613 HydrophobicContact CG-CG1 4.17Å; P546-V613 WeakPolarHBondContact O-CA 3.25Å; I548-V613 HydrophobicContact CD1-CB 4.3Å; I548-V613 HydrophobicContact CD1-CG1 4.11Å; R599-V613 VanDerWaalsContact NH1-CG2 3.31Å; R599-V613 PolarHBondContact NH1-O 3.41Å; R599-V613 PolarHBondContact NH2-O 3Å; L611-V613 HydrophobicContact CB-CG1 4.16Å; L611-V613 HydrophobicContact CB-CG2 4.42Å; L611-V613 PolarHBondContact O-N 3.5Å; L611-V613 VanDerWaalsContact O-N 3.16Å; V613-I615 HydrophobicContact CG2-CD1 4.05Å | ||
| 614 | D | 94.5 | Very high | 83.7 | Confident | 21 Ų | 21 | 83 Ų | 83 | 11% | 0.112 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 120.3 | 171.3 | -80.8 | 8.4 | 0 | 0 | 0 | 109.3 | R545 P546 I547 I548 R899 H900 | R545-D614 VanDerWaalsContact CD-OD1 3.25Å; R545-D614 WeakPolarHBondContact CD-OD1 3.06Å; P546-D614 PolarHBondContact O-N 3.31Å; I547-D614 WeakPolarHBondContact CA-O 3.3Å; I547-D614 HydrophobicContact CG1-CB 4.05Å; I548-D614 PolarHBondContact N-O 3.45Å; D614-R899 HydrophobicContact CB-CB 4.16Å; D614-H900 IonicContact OD1-CE1 2.66Å; D614-H900 PolarHBondContact OD1-CE1 3.04Å; D614-H900 IonicContact OD1-ND1 2.63Å; D614-H900 PolarHBondContact OD1-ND1 3.31Å; D614-H900 IonicContact OD1-NE2 3.27Å |
| 615 | I | 96.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.4 | 173.9 | -57.4 | -61.7 | 0 | 0 | 0 | 109 | I548 M550 V597 V613 R899 | I548-I615 HydrophobicContact CB-CD1 4.17Å; I548-I615 WeakPolarHBondContact O-CA 3.43Å; M550-I615 HydrophobicContact CB-CG2 4.07Å; M550-I615 HydrophobicContact CE-CG2 3.67Å; M550-I615 HydrophobicContact SD-CG2 4.38Å; V597-I615 HydrophobicContact CG1-CD1 4.02Å; V597-I615 HydrophobicContact CG1-CG1 4.02Å; V597-I615 HydrophobicContact CG2-CG1 4.4Å; V613-I615 HydrophobicContact CG2-CD1 4.05Å; I615-R899 PolarHBondContact N-O 3.43Å; I615-R899 WeakPolarHBondContact O-CA 3.25Å |
| 616 | E | 96.3 | Very high | 83.1 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 33% | 0.327 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.6 | -179.4 | -173.4 | 164.1 | -118.2 | 0 | 0 | 110.7 | I547 I548 M550 R899 | I547-E616 HydrophobicContact CG2-CB 3.87Å; I548-E616 PolarHBondContact O-N 3.31Å; M550-E616 PolarHBondContact N-O 3.11Å; E616-R899 IonicContact OE1-NH2 2.85Å; E616-R899 PolarHBondContact OE1-NH2 2.9Å |
| 617 | L | 96.3 | Very high | 83.3 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -98.5 | 146.6 | 170.8 | -67 | 174.6 | 0 | 0 | 0 | 110 | M550 S619 W629 I631 L832 Y904 F906 | M550-L617 HydrophobicContact CB-CD2 3.58Å; M550-L617 HydrophobicContact CE-CD2 3.99Å; M550-L617 HydrophobicContact CG-CD2 3.73Å; L617-S619 PolarHBondContact O-N 3.36Å; L617-W629 HydrophobicContact CB-CB 4.05Å; L617-W629 HydrophobicContact CB-CG 4.26Å; L617-W629 HydrophobicContact CD1-CB 3.9Å; L617-W629 HydrophobicContact CD1-CG 4.32Å; L617-I631 HydrophobicContact CD2-CG2 3.78Å; L617-L832 HydrophobicContact CD1-CD2 3.81Å; L617-Y904 HydrophobicContact CD1-CD1 4.04Å; L617-Y904 HydrophobicContact CD1-CE1 3.9Å; L617-F906 HydrophobicContact CD1-CE1 4.45Å; L617-F906 HydrophobicContact CD1-CZ 4.38Å; L617-F906 HydrophobicContact CD2-CE1 4.47Å; L617-F906 HydrophobicContact CD2-CZ 4.12Å |
| 618 | K | 94.2 | Very high | 84 | Confident | 118 Ų | 118 | 66.4 Ų | 66.4 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 138.5 | 166.6 | -74 | 179.6 | -176.9 | 128.8 | 0 | 109.9 | E551 W629 F630 | E551-K618 WeakPolarHBondContact OE1-CD 3.23Å; E551-K618 WeakPolarHBondContact OE1-CE 3.25Å; E551-K618 WeakPolarHBondContact OE1-CG 3.4Å; E551-K618 IonicContact OE1-NZ 3.03Å; E551-K618 PolarHBondContact OE1-NZ 3.29Å; K618-W629 VanDerWaalsContact O-CA 3.29Å; K618-W629 WeakPolarHBondContact O-CA 3.36Å; K618-F630 PolarHBondContact O-N 3.38Å |
| 619 | S | 90.7 | Very high | 84.8 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 152.5 | 179.1 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | L617 E628 | L617-S619 PolarHBondContact O-N 3.36Å; S619-E628 CarbonylContact C-O 3.5Å; S619-E628 WeakPolarHBondContact CA-O 3.4Å |
| 620 | S | 85.9 | Confident | 85.4 | Confident | 67 Ų | 67 | 58.2 Ų | 58.2 | 47% | 0.469 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.2 | 168.4 | -162.3 | 0 | 0 | 0 | 0 | 109.4 | G622 E628 | S620-G622 PolarHBondContact O-N 2.83Å; S620-E628 PolarHBondContact N-O 3.41Å; S620-E628 PolarHBondContact O-N 3.13Å |
| 621 | V | 79 | Confident | 85.9 | Confident | 110 Ų | 110 | 56.6 Ų | 56.6 | 67% | 0.667 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 110.8 | 172.8 | -177.7 | 0 | 0 | 0 | 0 | 107.4 | ||
| 622 | G | 68.2 | Low | 86.3 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | trans | -68.9 | 169 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S620 H624 G625 N626 | S620-G622 PolarHBondContact O-N 2.83Å; G622-H624 PolarHBondContact O-N 2.87Å; G622-G625 PolarHBondContact O-N 3.45Å; G622-N626 PolarHBondContact N-O 3.49Å | ||
| 623 | N | 65.1 | Low | 86.7 | Confident | 174 Ų | 174 | 55.8 Ų | 55.8 | 93% | 0.93 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.1 | -178.2 | -71.3 | -19 | 0 | 0 | 0 | 114.2 | ||
| 624 | H | 64.1 | Low | 86.8 | Confident | 147 Ų | 147 | 60.3 Ų | 60.3 | 68% | 0.681 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 8.1 | -178.7 | -61.9 | -65.8 | 0 | 0 | 0 | 113.9 | G622 N626 | G622-H624 PolarHBondContact O-N 2.87Å; H624-N626 PolarHBondContact O-N 2.87Å |
| 625 | G | 68.1 | Low | 86.8 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 55% | 0.546 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 80.2 | -1.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G622 | G622-G625 PolarHBondContact O-N 3.45Š|
| 626 | N | 75.7 | Confident | 86.7 | Confident | 60 Ų | 60 | 65.9 Ų | 65.9 | 32% | 0.321 | 37% | 0.368 | S | S | . | . | trans | -81.9 | 141.3 | 175.7 | -71.4 | 6.9 | 0 | 0 | 0 | 110.7 | G622 H624 Q880 | G622-N626 PolarHBondContact N-O 3.49Å; H624-N626 PolarHBondContact O-N 2.87Å; N626-Q880 WeakPolarHBondContact ND2-CB 3.3Å; N626-Q880 PolarHBondContact ND2-O 2.82Å | ||
| 627 | T | 83.1 | Confident | 86.7 | Confident | 63 Ų | 63 | 65.6 Ų | 65.6 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126 | 173.7 | -52.4 | 0 | 0 | 0 | 0 | 109.5 | W629 | T627-W629 HydrophobicContact CG2-CZ2 4.11Å |
| 628 | E | 89.6 | Confident | 86.6 | Confident | 47 Ų | 47 | 65.7 Ų | 65.7 | 22% | 0.22 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.4 | 173.1 | -62.8 | -172.4 | 137.5 | 0 | 0 | 109.4 | S619 S620 F630 K853 Q880 | S619-E628 CarbonylContact C-O 3.5Å; S619-E628 WeakPolarHBondContact CA-O 3.4Å; S620-E628 PolarHBondContact N-O 3.41Å; S620-E628 PolarHBondContact O-N 3.13Å; E628-F630 HydrophobicContact CB-CD2 4.42Å; E628-F630 HydrophobicContact CB-CE1 4.45Å; E628-F630 HydrophobicContact CB-CE2 3.35Å; E628-F630 HydrophobicContact CB-CZ 3.38Å; E628-F630 HydrophobicContact CG-CZ 4.35Å; E628-F630 WeakPolarHBondContact O-CE2 3.41Å; E628-F630 WeakPolarHBondContact OE2-CZ 3.41Å; E628-K853 IonicContact OE1-NZ 3.94Å; E628-K853 PolarHBondContact OE1-NZ 3.24Å; E628-Q880 PolarHBondContact OE1-OE1 3.34Å |
| 629 | W | 95.2 | Very high | 86.4 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 10% | 0.095 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.5 | -178.4 | -60.5 | -83.2 | 0 | 0 | 0 | 111.1 | L617 K618 T627 E831 L832 W882 P896 H898 | L617-W629 HydrophobicContact CB-CB 4.05Å; L617-W629 HydrophobicContact CB-CG 4.26Å; L617-W629 HydrophobicContact CD1-CB 3.9Å; L617-W629 HydrophobicContact CD1-CG 4.32Å; K618-W629 VanDerWaalsContact O-CA 3.29Å; K618-W629 WeakPolarHBondContact O-CA 3.36Å; T627-W629 HydrophobicContact CG2-CZ2 4.11Å; W629-E831 CarbonylContact O-C 3.54Å; W629-E831 WeakPolarHBondContact O-CA 3.28Å; W629-L832 HydrophobicContact CB-CB 3.97Å; W629-L832 HydrophobicContact CB-CD2 4.22Å; W629-L832 HydrophobicContact CD2-CD2 4.48Å; W629-L832 HydrophobicContact CE3-CD2 4.11Å; W629-L832 PolarHBondContact O-N 3.13Å; W629-W882 AromaticContact CE3-CZ2 3.85Å; W629-W882 HydrophobicContact CE3-CZ2 3.85Å; W629-W882 AromaticContact CZ3-CE2 3.65Å; W629-W882 AromaticContact CZ3-CZ2 3.59Å; W629-W882 HydrophobicContact CZ3-CZ2 3.59Å; W629-W882 AromaticContact CZ3-NE1 3.6Å; W629-P896 HydrophobicContact CH2-CB 4.24Å; W629-P896 HydrophobicContact CH2-CG 4.31Å; W629-H898 AromaticContact CD1-NE2 3.74Å; W629-H898 AromaticContact CE2-CE1 3.53Å; W629-H898 AromaticContact CE2-CG 4Å; W629-H898 AromaticContact CE2-ND1 3.67Å; W629-H898 AromaticContact CE2-NE2 3.79Å; W629-H898 AromaticContact CZ2-CE1 3.58Å; W629-H898 AromaticContact CZ2-ND1 3.49Å; W629-H898 WeakPolarHBondContact CZ2-ND1 3.23Å; W629-H898 AromaticContact NE1-CD2 3.77Å; W629-H898 AromaticContact NE1-CE1 3.31Å; W629-H898 PolarHBondContact NE1-CE1 3.39Å; W629-H898 VanDerWaalsContact NE1-CE1 3.31Å; W629-H898 AromaticContact NE1-ND1 3.89Å; W629-H898 AromaticContact NE1-NE2 3.22Å; W629-H898 PolarHBondContact NE1-NE2 2.84Å |
| 630 | F | 95.4 | Very high | 86.1 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 19% | 0.189 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 158.1 | -173.9 | -52.7 | -91.1 | 0 | 0 | 0 | 112.4 | K618 E628 Y830 E831 L909 | K618-F630 PolarHBondContact O-N 3.38Å; E628-F630 HydrophobicContact CB-CD2 4.42Å; E628-F630 HydrophobicContact CB-CE1 4.45Å; E628-F630 HydrophobicContact CB-CE2 3.35Å; E628-F630 HydrophobicContact CB-CZ 3.38Å; E628-F630 HydrophobicContact CG-CZ 4.35Å; E628-F630 WeakPolarHBondContact O-CE2 3.41Å; E628-F630 WeakPolarHBondContact OE2-CZ 3.41Å; F630-Y830 CarbonylContact C-O 3.53Å; F630-Y830 WeakPolarHBondContact CA-O 3.18Å; F630-Y830 VanDerWaalsContact CB-O 3.3Å; F630-Y830 WeakPolarHBondContact CB-O 3.02Å; F630-Y830 WeakPolarHBondContact CD1-O 3.42Å; F630-E831 HydrophobicContact CD1-CB 3.62Å; F630-E831 HydrophobicContact CE1-CB 3.53Å; F630-L909 HydrophobicContact CD1-CD1 4.4Å; F630-L909 HydrophobicContact CD1-CD2 4.04Å; F630-L909 HydrophobicContact CE1-CD2 3.81Å |
| 631 | I | 96.9 | Very high | 85.9 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 156.2 | 168.3 | 63.1 | 178.5 | 0 | 0 | 0 | 110 | M550 L593 I595 L617 L633 Y830 F906 | M550-I631 HydrophobicContact CG-CG2 3.95Å; L593-I631 HydrophobicContact CD2-CD1 4.27Å; I595-I631 HydrophobicContact CD1-CD1 3.55Å; L617-I631 HydrophobicContact CD2-CG2 3.78Å; I631-L633 HydrophobicContact CD1-CD2 3.9Å; I631-L633 HydrophobicContact CD1-CG 4.49Å; I631-L633 HydrophobicContact CG1-CD2 4.29Å; I631-Y830 PolarHBondContact N-O 2.79Å; I631-Y830 PolarHBondContact O-N 2.64Å; I631-F906 HydrophobicContact CB-CE1 4.46Å; I631-F906 HydrophobicContact CD1-CD1 3.97Å; I631-F906 HydrophobicContact CD1-CD2 3.79Å; I631-F906 HydrophobicContact CD1-CE1 3.96Å; I631-F906 HydrophobicContact CD1-CE2 3.75Å; I631-F906 HydrophobicContact CD1-CG 3.91Å; I631-F906 HydrophobicContact CD1-CZ 3.86Å; I631-F906 HydrophobicContact CG1-CD1 3.97Å; I631-F906 HydrophobicContact CG1-CE1 4Å; I631-F906 HydrophobicContact CG1-CG 4.34Å; I631-F906 HydrophobicContact CG1-CZ 4.35Å; I631-F906 HydrophobicContact CG2-CE1 3.76Å; I631-F906 HydrophobicContact CG2-CZ 3.84Å |
| 632 | D | 96.6 | Very high | 86.1 | Confident | 63 Ų | 63 | 65.6 Ų | 65.6 | 34% | 0.337 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 117.8 | 174.8 | -169 | -15.3 | 0 | 0 | 0 | 109.5 | N634 S828 | D632-N634 VanDerWaalsContact OD1-CB 3.3Å; D632-N634 WeakPolarHBondContact OD1-CB 3.18Å; D632-N634 PolarHBondContact OD1-N 3.09Å; D632-S828 WeakPolarHBondContact CA-O 3.07Å; D632-S828 VanDerWaalsContact OD1-CB 3.24Å; D632-S828 WeakPolarHBondContact OD1-CB 3.25Å; D632-S828 PolarHBondContact OD1-OG 2.99Å |
| 633 | L | 96.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | trans | -96.8 | 9.7 | -175.2 | -52 | -178.6 | 0 | 0 | 0 | 112.7 | L554 L586 F589 L593 I631 N635 L636 S828 Y830 | L554-L633 HydrophobicContact CD1-CD2 3.81Å; L554-L633 HydrophobicContact CD2-CD2 4.14Å; L586-L633 HydrophobicContact CD1-CD1 4.32Å; F589-L633 HydrophobicContact CE1-CB 3.94Å; F589-L633 HydrophobicContact CZ-CB 3.95Å; F589-L633 WeakPolarHBondContact CZ-O 3.25Å; L593-L633 HydrophobicContact CD2-CD1 3.41Å; L593-L633 VanDerWaalsContact CD2-CD1 3.41Å; I631-L633 HydrophobicContact CD1-CD2 3.9Å; I631-L633 HydrophobicContact CD1-CG 4.49Å; I631-L633 HydrophobicContact CG1-CD2 4.29Å; L633-N635 PolarHBondContact O-N 2.97Å; L633-L636 HydrophobicContact CB-CD1 4.27Å; L633-L636 HydrophobicContact CD2-CD1 3.83Å; L633-L636 WeakPolarHBondContact O-CB 3.46Å; L633-L636 PolarHBondContact O-N 3.26Å; L633-S828 PolarHBondContact N-O 3.3Å; L633-Y830 HydrophobicContact CD1-CD2 3.91Å; L633-Y830 HydrophobicContact CD1-CE2 3.56Å; L633-Y830 HydrophobicContact CG-CD2 4.21Å; L633-Y830 HydrophobicContact CG-CE2 4.22Å | ||
| 634 | N | 94.6 | Very high | 88.2 | Confident | 97 Ų | 97 | 62.2 Ų | 62.2 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -53.4 | -35.7 | -173.7 | -174.4 | 65.8 | 0 | 0 | 0 | 112.6 | D632 L636 R637 | D632-N634 VanDerWaalsContact OD1-CB 3.3Å; D632-N634 WeakPolarHBondContact OD1-CB 3.18Å; D632-N634 PolarHBondContact OD1-N 3.09Å; N634-L636 PolarHBondContact O-N 2.98Å; N634-R637 PolarHBondContact O-N 3.28Å |
| 635 | N | 93.5 | Very high | 89.4 | Confident | 132 Ų | 132 | 56.6 Ų | 56.6 | 71% | 0.706 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -72.3 | -15.2 | 179.6 | -61.7 | -22.2 | 0 | 0 | 0 | 114.1 | L633 | L633-N635 PolarHBondContact O-N 2.97Š|
| 636 | L | 96.2 | Very high | 90.3 | Very high | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -94.3 | -10.2 | -179.6 | -56.7 | 178.3 | 0 | 0 | 0 | 112.8 | L554 W557 A558 R585 L586 L633 N634 A638 | L554-L636 HydrophobicContact CB-CD1 4.28Å; L554-L636 HydrophobicContact CD2-CD1 3.92Å; W557-L636 HydrophobicContact CE3-CD2 4.05Å; W557-L636 HydrophobicContact CZ3-CD2 4.3Å; A558-L636 HydrophobicContact CB-CD2 3.37Å; R585-L636 WeakPolarHBondContact CA-O 3.44Å; R585-L636 WeakPolarHBondContact CD-O 3.19Å; L586-L636 HydrophobicContact CD1-CB 3.94Å; L586-L636 HydrophobicContact CD1-CD1 4.07Å; L586-L636 HydrophobicContact CG-CB 4.25Å; L586-L636 PolarHBondContact N-O 2.91Å; L633-L636 HydrophobicContact CB-CD1 4.27Å; L633-L636 HydrophobicContact CD2-CD1 3.83Å; L633-L636 WeakPolarHBondContact O-CB 3.46Å; L633-L636 PolarHBondContact O-N 3.26Å; N634-L636 PolarHBondContact O-N 2.98Å; L636-A638 PolarHBondContact O-N 3.08Å |
| 637 | R | 95.9 | Very high | 90.9 | Very high | 64 Ų | 64 | 61.6 Ų | 61.6 | 24% | 0.242 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -62.6 | 133.4 | -178.9 | -178.1 | 160.7 | -78 | -98.1 | 5.7 | 110.8 | F589 N634 D825 G826 | F589-R637 HydrophobicContact CE2-CB 4.4Å; F589-R637 VanDerWaalsContact CE2-NE 3.29Å; F589-R637 VanDerWaalsContact CE2-NH2 3.34Å; F589-R637 HydrophobicContact CZ-CB 3.76Å; F589-R637 HydrophobicContact CZ-CG 4.45Å; N634-R637 PolarHBondContact O-N 3.28Å; R637-D825 IonicContact CZ-OD1 2.85Å; R637-D825 IonicContact CZ-OD2 3.04Å; R637-D825 IonicContact NH1-OD1 2.67Å; R637-D825 IonicContact NH1-OD2 2.6Å; R637-D825 PolarHBondContact NH1-OD2 3.34Å; R637-D825 IonicContact NH2-OD1 3.15Å; R637-D825 PolarHBondContact NH2-OD1 3.39Å; R637-D825 IonicContact NH2-OD2 2.77Å; R637-D825 PolarHBondContact NH2-OD2 3.16Å; R637-G826 PolarHBondContact NH2-O 2.98Å |
| 638 | A | 93.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 140.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R585 L586 L636 N640 | R585-A638 HydrophobicContact CB-CB 3.8Å; L586-A638 WeakPolarHBondContact O-CB 3.13Å; L586-A638 PolarHBondContact O-N 3.39Å; L636-A638 PolarHBondContact O-N 3.08Å; A638-N640 PolarHBondContact O-N 3.33Å |
| 639 | P | 90.4 | Very high | 91.4 | Very high | 64 Ų | 64 | 64.6 Ų | 64.6 | 42% | 0.416 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 136.2 | 176.8 | -23.9 | 33.6 | 0 | 0 | 0 | 112 | R643 L645 | P639-R643 PolarHBondContact O-NH1 3.31Å; P639-L645 HydrophobicContact CB-CD1 4.05Å; P639-L645 HydrophobicContact CB-CD2 4.05Å; P639-L645 HydrophobicContact CG-CD1 4.06Å |
| 640 | N | 84.1 | Confident | 91.3 | Very high | 148 Ų | 148 | 67.9 Ų | 67.9 | 79% | 0.791 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -65.2 | 135.9 | 177 | -66.2 | -23.1 | 0 | 0 | 0 | 110.8 | A638 | A638-N640 PolarHBondContact O-N 3.33Š|
| 641 | G | 82.6 | Confident | 91.1 | Very high | 49 Ų | 49 | 66.5 Ų | 66.5 | 51% | 0.505 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 136.1 | 157.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R643 | G641-R643 PolarHBondContact O-NH1 3.44Š|
| 642 | S | 83.2 | Confident | 90.5 | Very high | 110 Ų | 110 | 67.6 Ų | 67.6 | 77% | 0.769 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -64 | 147.2 | 171.7 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | P644 | S642-P644 CarbonylContact O-C 3.52Š|
| 643 | R | 87.5 | Confident | 89.6 | Confident | 75 Ų | 75 | 68.4 Ų | 68.4 | 28% | 0.283 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -81.7 | 146.7 | 174.1 | -56.6 | -54.1 | -179.1 | -116.1 | 2.3 | 110.7 | E485 Y498 P639 G641 | E485-R643 VanDerWaalsContact CD-NE 3.26Å; E485-R643 IonicContact OE1-CZ 3.99Å; E485-R643 VanDerWaalsContact OE1-CZ 3.25Å; E485-R643 IonicContact OE1-NE 3.78Å; E485-R643 PolarHBondContact OE1-NE 3Å; E485-R643 VanDerWaalsContact OE1-NE 3.15Å; E485-R643 IonicContact OE1-NH2 2.83Å; E485-R643 PolarHBondContact OE1-NH2 3.07Å; E485-R643 IonicContact OE2-CZ 3.1Å; E485-R643 IonicContact OE2-NE 3.31Å; E485-R643 PolarHBondContact OE2-NE 3.18Å; E485-R643 IonicContact OE2-NH2 3.89Å; E485-R643 PolarHBondContact OE2-NH2 3.28Å; Y498-R643 HydrophobicContact CD1-CG 4.35Å; Y498-R643 HydrophobicContact CD2-CB 4.01Å; Y498-R643 HydrophobicContact CD2-CG 4.12Å; Y498-R643 HydrophobicContact CE2-CB 4.23Å; Y498-R643 HydrophobicContact CE2-CG 4.36Å; Y498-R643 HydrophobicContact CG-CB 4.44Å; Y498-R643 HydrophobicContact CG-CG 4.1Å; P639-R643 PolarHBondContact O-NH1 3.31Å; G641-R643 PolarHBondContact O-NH1 3.44Å |
| 644 | P | 88.3 | Confident | 88.2 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 29% | 0.292 | 43% | 0.432 | S | S | . | . | S | Bend | cis | -70.4 | 160.9 | -8.7 | 33.9 | -37.1 | 0 | 0 | 0 | 111.7 | V496 Y498 S642 E648 L650 | V496-P644 HydrophobicContact CG2-CB 4.35Å; Y498-P644 HydrophobicContact CE2-CB 4.38Å; S642-P644 CarbonylContact O-C 3.52Å; P644-E648 HydrophobicContact CB-CB 4.04Å; P644-L650 HydrophobicContact CB-CD2 3.99Å; P644-L650 HydrophobicContact CB-CG 4.08Å; P644-L650 HydrophobicContact CG-CD2 4.42Å; P644-L650 HydrophobicContact CG-CG 4Å |
| 645 | L | 89.1 | Confident | 86.5 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 16% | 0.157 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 158.8 | 177.6 | -66.1 | 169.7 | 0 | 0 | 0 | 110.9 | P639 G647 E648 | P639-L645 HydrophobicContact CB-CD1 4.05Å; P639-L645 HydrophobicContact CB-CD2 4.05Å; P639-L645 HydrophobicContact CG-CD1 4.06Å; L645-G647 PolarHBondContact O-N 3.22Å; L645-G647 VanDerWaalsContact O-N 3.14Å; L645-E648 WeakPolarHBondContact CB-OE2 3.38Å; L645-E648 PolarHBondContact N-OE2 2.63Å; L645-E648 WeakPolarHBondContact O-CB 3.16Å; L645-E648 PolarHBondContact O-N 2.6Å |
| 646 | P | 87.9 | Confident | 84.9 | Confident | 130 Ų | 130 | 70.1 Ų | 70.1 | 84% | 0.844 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 122.6 | 178.8 | -26.8 | 34.9 | 0 | 0 | 0 | 112.4 | ||
| 647 | G | 87.9 | Confident | 83.1 | Confident | 87 Ų | 87 | 71.3 Ų | 71.3 | 90% | 0.897 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | -4.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L645 | L645-G647 PolarHBondContact O-N 3.22Å; L645-G647 VanDerWaalsContact O-N 3.14Å |
| 648 | E | 92.4 | Very high | 81.2 | Confident | 43 Ų | 43 | 74.7 Ų | 74.7 | 20% | 0.201 | 45% | 0.448 | C | S | . | . | trans | -99 | 154.2 | 176.7 | -63.9 | 177 | 157.5 | 0 | 0 | 112.1 | R487 V496 Y498 P644 L645 | R487-E648 IonicContact CZ-OE1 3.67Å; R487-E648 IonicContact NE-OE1 3.23Å; R487-E648 PolarHBondContact NE-OE1 2.86Å; R487-E648 IonicContact NE-OE2 3.66Å; R487-E648 IonicContact NH2-OE1 3.39Å; R487-E648 PolarHBondContact NH2-OE1 2.84Å; V496-E648 HydrophobicContact CG1-CB 4.46Å; V496-E648 HydrophobicContact CG1-CG 4.4Å; V496-E648 HydrophobicContact CG2-CB 3.93Å; Y498-E648 PolarHBondContact OH-OE2 3.31Å; P644-E648 HydrophobicContact CB-CB 4.04Å; L645-E648 WeakPolarHBondContact CB-OE2 3.38Å; L645-E648 PolarHBondContact N-OE2 2.63Å; L645-E648 WeakPolarHBondContact O-CB 3.16Å; L645-E648 PolarHBondContact O-N 2.6Å | ||
| 649 | Q | 92 | Very high | 79.2 | Confident | 130 Ų | 130 | 77 Ų | 77 | 61% | 0.607 | 46% | 0.464 | S | S | * | . | trans | -119.8 | 135.1 | 175.9 | -66.8 | -179.3 | 13.3 | 0 | 0 | 109.2 | K495 V496 | K495-Q649 CarbonylContact C-O 3.59Å; K495-Q649 WeakPolarHBondContact CA-O 3.37Å; K495-Q649 WeakPolarHBondContact CB-O 3.24Å; K495-Q649 HydrophobicContact CG-CB 4.08Å; V496-Q649 PolarHBondContact N-O 3.41Å | ||
| 650 | L | 92.9 | Very high | 77.2 | Confident | 94 Ų | 94 | 79.6 Ų | 79.6 | 49% | 0.492 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -69.4 | 142.8 | 179.2 | -70.6 | 172.5 | 0 | 0 | 0 | 111.7 | K495 V496 Y498 P644 | K495-L650 WeakPolarHBondContact CD-O 3.35Å; V496-L650 HydrophobicContact CG2-CD2 4.44Å; V496-L650 CarbonylContact O-C 3.52Å; V496-L650 VanDerWaalsContact O-CA 3.28Å; V496-L650 WeakPolarHBondContact O-CA 3.44Å; Y498-L650 HydrophobicContact CD2-CD2 4.22Å; P644-L650 HydrophobicContact CB-CD2 3.99Å; P644-L650 HydrophobicContact CB-CG 4.08Å; P644-L650 HydrophobicContact CG-CD2 4.42Å; P644-L650 HydrophobicContact CG-CG 4Å |
| 651 | M | 91 | Very high | 75.5 | Confident | 15 Ų | 15 | 78.6 Ų | 78.6 | 7% | 0.074 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 142.7 | 167.4 | -74.9 | -166.2 | -83.2 | 0 | 0 | 109.8 | L488 C490 K495 V496 S497 F566 P569 A570 | L488-M651 HydrophobicContact CB-CE 4.26Å; L488-M651 HydrophobicContact CD2-CE 4.21Å; L488-M651 HydrophobicContact CG-CE 4.23Å; L488-M651 VanDerWaalsContact O-CE 3.29Å; L488-M651 WeakPolarHBondContact O-CE 3.46Å; C490-M651 HydrophobicContact CB-SD 3.86Å; K495-M651 VanDerWaalsContact C-CG 3.47Å; K495-M651 HydrophobicContact CB-CB 4.35Å; K495-M651 HydrophobicContact CB-CG 3.48Å; K495-M651 VanDerWaalsContact CB-CG 3.48Å; K495-M651 WeakPolarHBondContact O-CG 3.44Å; V496-M651 PolarHBondContact O-N 2.86Å; S497-M651 VanDerWaalsContact N-CE 3.3Å; S497-M651 VanDerWaalsContact OG-CE 3.23Å; S497-M651 WeakPolarHBondContact OG-CE 3.4Å; F566-M651 HydrophobicContact CE1-SD 4.49Å; P569-M651 HydrophobicContact CG-SD 4.42Å; A570-M651 HydrophobicContact CB-CG 4.06Å; A570-M651 HydrophobicContact CB-SD 4.46Å |
| 652 | P | 84.9 | Confident | 73.5 | Confident | 26 Ų | 26 | 84.3 Ų | 84.3 | 17% | 0.169 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 139.6 | 175.2 | -21.3 | 32.4 | 0 | 0 | 0 | 111.4 | E656 I657 | P652-E656 VanDerWaalsContact CA-OE2 3.28Å; P652-E656 WeakPolarHBondContact CA-OE2 3.49Å; P652-I657 HydrophobicContact CB-CG1 4.11Å |
| 653 | T | 77.8 | Confident | 71.3 | Confident | 81 Ų | 81 | 87.7 Ų | 87.7 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 157.6 | 172.6 | 24.9 | 0 | 0 | 0 | 0 | 111.1 | D655 E656 I657 | T653-D655 PolarHBondContact O-N 2.9Å; T653-D655 VanDerWaalsContact O-N 3.12Å; T653-E656 PolarHBondContact N-OE2 2.85Å; T653-E656 PolarHBondContact O-N 2.8Å; T653-E656 VanDerWaalsContact OG1-CD 3.31Å; T653-E656 WeakPolarHBondContact OG1-CG 3.41Å; T653-E656 PolarHBondContact OG1-OE2 2.79Å; T653-I657 PolarHBondContact O-N 2.75Å |
| 654 | G | 65.7 | Low | 69.1 | Low | 49 Ų | 49 | 90.9 Ų | 90.9 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55 | -30.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | K658 | G654-K658 PolarHBondContact O-N 3.43Å |
| 655 | D | 60.4 | Low | 66.5 | Low | 118 Ų | 118 | 95.7 Ų | 95.7 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.4 | -35.4 | 176.8 | -64.2 | -30.3 | 0 | 0 | 0 | 112.9 | T653 K658 S659 | T653-D655 PolarHBondContact O-N 2.9Å; T653-D655 VanDerWaalsContact O-N 3.12Å; D655-K658 PolarHBondContact O-N 3.46Å; D655-S659 PolarHBondContact O-N 2.84Å |
| 656 | E | 59.6 | Low | 63.8 | Low | 98 Ų | 98 | 102.2 Ų | 102.2 | 46% | 0.458 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.3 | -40.2 | 177.5 | -68.4 | 174.5 | 153.8 | 0 | 0 | 111 | P652 T653 K658 S659 E660 | P652-E656 VanDerWaalsContact CA-OE2 3.28Å; P652-E656 WeakPolarHBondContact CA-OE2 3.49Å; T653-E656 PolarHBondContact N-OE2 2.85Å; T653-E656 PolarHBondContact O-N 2.8Å; T653-E656 VanDerWaalsContact OG1-CD 3.31Å; T653-E656 WeakPolarHBondContact OG1-CG 3.41Å; T653-E656 PolarHBondContact OG1-OE2 2.79Å; E656-K658 PolarHBondContact O-N 3.4Å; E656-S659 PolarHBondContact O-N 2.79Å; E656-S659 PolarHBondContact O-OG 3.06Å; E656-E660 PolarHBondContact O-N 3.4Å |
| 657 | I | 58 | Low | 61.1 | Low | 32 Ų | 32 | 102.6 Ų | 102.6 | 16% | 0.164 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -63.2 | -41.5 | 178.5 | -59.3 | 169.1 | 0 | 0 | 0 | 111.4 | P569 P574 P652 T653 S659 E660 Q661 | P569-I657 HydrophobicContact CB-CD1 3.67Å; P574-I657 HydrophobicContact CB-CD1 4.42Å; P574-I657 HydrophobicContact CB-CG2 4.43Å; P574-I657 HydrophobicContact CG-CG2 3.99Å; P652-I657 HydrophobicContact CB-CG1 4.11Å; T653-I657 PolarHBondContact O-N 2.75Å; I657-S659 VanDerWaalsContact C-N 3.3Å; I657-S659 PolarHBondContact O-N 2.88Å; I657-E660 PolarHBondContact O-N 2.9Å; I657-Q661 PolarHBondContact O-N 2.88Å |
| 658 | K | 54.8 | Low | 59 | Low | 135 Ų | 135 | 103.2 Ų | 103.2 | 59% | 0.587 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.6 | -39.7 | 175.6 | -71.6 | 177.3 | -177.5 | 174.7 | 0 | 111.5 | G654 D655 E656 M662 | G654-K658 PolarHBondContact O-N 3.43Å; D655-K658 PolarHBondContact O-N 3.46Å; E656-K658 PolarHBondContact O-N 3.4Å; K658-M662 PolarHBondContact O-N 3.49Å; K658-M662 VanDerWaalsContact O-N 3.12Å |
| 659 | S | 52.9 | Low | 56.7 | Low | 59 Ų | 59 | 110 Ų | 110 | 41% | 0.413 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.7 | -30.3 | 179.4 | 77.6 | 0 | 0 | 0 | 0 | 113.7 | D655 E656 I657 | D655-S659 PolarHBondContact O-N 2.84Å; E656-S659 PolarHBondContact O-N 2.79Å; E656-S659 PolarHBondContact O-OG 3.06Å; I657-S659 VanDerWaalsContact C-N 3.3Å; I657-S659 PolarHBondContact O-N 2.88Å |
| 660 | E | 48.7 | Very low | 55 | Low | 118 Ų | 118 | 105.5 Ų | 105.5 | 55% | 0.551 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -77.5 | -37.4 | 174.8 | -73.2 | -173.9 | 166.6 | 0 | 0 | 112 | E656 I657 M662 K663 | E656-E660 PolarHBondContact O-N 3.4Å; I657-E660 PolarHBondContact O-N 2.9Å; E660-M662 VanDerWaalsContact C-N 3.35Å; E660-M662 PolarHBondContact O-N 3.12Å; E660-K663 PolarHBondContact O-N 2.79Å |
| 661 | Q | 47.9 | Very low | 54 | Low | 127 Ų | 127 | 104.1 Ų | 104.1 | 59% | 0.593 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.3 | -35.1 | 173.1 | -82.1 | 176.5 | -28.5 | 0 | 0 | 112.6 | I657 K663 | I657-Q661 PolarHBondContact O-N 2.88Å; Q661-K663 VanDerWaalsContact C-N 3.31Å; Q661-K663 PolarHBondContact O-N 2.51Å |
| 662 | M | 41.2 | Very low | 53.5 | Low | 168 Ų | 168 | 108.6 Ų | 108.6 | 83% | 0.828 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -14.5 | 176.8 | -101.4 | 173.1 | 169.4 | 0 | 0 | 114.8 | K658 E660 | K658-M662 PolarHBondContact O-N 3.49Å; K658-M662 VanDerWaalsContact O-N 3.12Å; E660-M662 VanDerWaalsContact C-N 3.35Å; E660-M662 PolarHBondContact O-N 3.12Å |
| 663 | K | 37.3 | Very low | 53.2 | Low | 181 Ų | 181 | 111.6 Ų | 111.6 | 79% | 0.787 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -3.2 | -177.2 | -82.8 | -175.6 | -179.5 | 175.4 | 0 | 114.9 | E660 Q661 | E660-K663 PolarHBondContact O-N 2.79Å; Q661-K663 VanDerWaalsContact C-N 3.31Å; Q661-K663 PolarHBondContact O-N 2.51Å |
| 664 | I | 40.4 | Very low | 53.5 | Low | 142 Ų | 142 | 108.1 Ų | 108.1 | 73% | 0.728 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -96.1 | -9.1 | -175.5 | -63.4 | 176.2 | 0 | 0 | 0 | 112.6 | ||
| 665 | D | 33.3 | Very low | 54.3 | Low | 146 Ų | 146 | 106.5 Ų | 106.5 | 78% | 0.781 | 55% | 0.55 | S | S | * | * | trans | -111.8 | 33.8 | -166.1 | -113 | 0.5 | 0 | 0 | 0 | 116.4 | ||||
| 666 | D | 32.6 | Very low | 55.3 | Low | 167 Ų | 167 | 105.4 Ų | 105.4 | 89% | 0.893 | 54% | 0.544 | S | S | * | . | trans | -115.6 | 59.3 | 170.3 | -92.2 | -24.5 | 0 | 0 | 0 | 111.3 | ||||
| 667 | D | 32.2 | Very low | 56.4 | Low | 139 Ų | 139 | 104.7 Ų | 104.7 | 74% | 0.743 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -164.8 | 118.4 | 144.1 | -131 | -11.6 | 0 | 0 | 0 | 112.6 | ||
| 668 | V | 42.7 | Very low | 57.7 | Low | 100 Ų | 100 | 103.1 Ų | 103.1 | 61% | 0.606 | 54% | 0.535 | S | S | * | . | trans | 65.7 | 89.3 | 177.4 | -165.6 | 0 | 0 | 0 | 0 | 115.2 | S670 | V668-S670 PolarHBondContact O-N 2.98Š| ||
| 669 | Q | 44 | Very low | 59 | Low | 185 Ų | 185 | 99.9 Ų | 99.9 | 86% | 0.864 | 52% | 0.524 | S | S | * | . | trans | -51.6 | 95.2 | 171.8 | -155.5 | 167.2 | 20.6 | 0 | 0 | 111.5 | N697 | Q669-N697 PolarHBondContact O-ND2 3.34Š| ||
| 670 | S | 56.7 | Low | 60.3 | Low | 36 Ų | 36 | 102.8 Ų | 102.8 | 25% | 0.252 | 54% | 0.539 | S | S | . | . | trans | -71.9 | 130.6 | 167.2 | 53.4 | 0 | 0 | 0 | 0 | 108.8 | V668 V672 I675 | V668-S670 PolarHBondContact O-N 2.98Å; S670-V672 PolarHBondContact O-N 3.23Å; S670-V672 VanDerWaalsContact O-N 3.08Å; S670-I675 WeakPolarHBondContact OG-CD1 3.42Å | ||
| 671 | D | 72.9 | Confident | 61.9 | Low | 64 Ų | 64 | 102.7 Ų | 102.7 | 34% | 0.342 | 54% | 0.54 | S | S | . | . | trans | -66.8 | 112.5 | -175.8 | -169.2 | -24.9 | 0 | 0 | 0 | 110.1 | T673 I674 I675 N697 | D671-T673 PolarHBondContact O-N 3.42Å; D671-T673 VanDerWaalsContact O-N 3.15Å; D671-T673 WeakPolarHBondContact OD1-CB 3.13Å; D671-T673 PolarHBondContact OD1-N 3.4Å; D671-T673 PolarHBondContact OD1-OG1 2.8Å; D671-T673 PolarHBondContact OD2-OG1 3.15Å; D671-I674 HydrophobicContact CB-CB 4.35Å; D671-I674 HydrophobicContact CB-CD1 3.96Å; D671-I674 HydrophobicContact CB-CG1 4Å; D671-I674 PolarHBondContact O-N 3.37Å; D671-I674 VanDerWaalsContact O-N 3.15Å; D671-I675 PolarHBondContact O-N 3.2Å; D671-I675 VanDerWaalsContact O-N 3.12Å; D671-N697 HydrophobicContact CB-CB 4.17Å; D671-N697 PolarHBondContact N-OD1 2.88Å; D671-N697 VanDerWaalsContact N-OD1 3.1Å | ||
| 672 | V | 78.9 | Confident | 63.5 | Low | 110 Ų | 110 | 99.8 Ų | 99.8 | 67% | 0.667 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57.2 | -30.5 | -178.7 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | S670 N676 | S670-V672 PolarHBondContact O-N 3.23Å; S670-V672 VanDerWaalsContact O-N 3.08Å; V672-N676 WeakPolarHBondContact O-CB 3.41Å; V672-N676 PolarHBondContact O-N 3.35Å |
| 673 | T | 79.5 | Confident | 65.6 | Low | 88 Ų | 88 | 93.5 Ų | 93.5 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -46.5 | 179 | 64.2 | 0 | 0 | 0 | 0 | 111.6 | D671 I675 N676 D677 | D671-T673 PolarHBondContact O-N 3.42Å; D671-T673 VanDerWaalsContact O-N 3.15Å; D671-T673 WeakPolarHBondContact OD1-CB 3.13Å; D671-T673 PolarHBondContact OD1-N 3.4Å; D671-T673 PolarHBondContact OD1-OG1 2.8Å; D671-T673 PolarHBondContact OD2-OG1 3.15Å; T673-I675 PolarHBondContact O-N 3.48Å; T673-N676 PolarHBondContact O-N 2.7Å; T673-D677 PolarHBondContact O-N 2.62Å |
| 674 | I | 83.9 | Confident | 67.9 | Low | 9 Ų | 9 | 87.5 Ų | 87.5 | 5% | 0.046 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 178.3 | -58.3 | 178.7 | 0 | 0 | 0 | 110.6 | D671 N676 D677 L678 C692 N697 V700 A703 | D671-I674 HydrophobicContact CB-CB 4.35Å; D671-I674 HydrophobicContact CB-CD1 3.96Å; D671-I674 HydrophobicContact CB-CG1 4Å; D671-I674 PolarHBondContact O-N 3.37Å; D671-I674 VanDerWaalsContact O-N 3.15Å; I674-N676 VanDerWaalsContact C-N 3.33Å; I674-N676 PolarHBondContact O-N 2.88Å; I674-D677 PolarHBondContact O-N 3.14Å; I674-L678 HydrophobicContact CG2-CD1 4.11Å; I674-L678 VanDerWaalsContact O-CG 3.27Å; I674-L678 WeakPolarHBondContact O-CG 3.13Å; I674-L678 PolarHBondContact O-N 2.85Å; I674-C692 VanDerWaalsContact CG2-SG 3.57Å; I674-N697 HydrophobicContact CD1-CB 4.15Å; I674-V700 HydrophobicContact CB-CG2 4.29Å; I674-V700 HydrophobicContact CG1-CG2 4.01Å; I674-V700 HydrophobicContact CG2-CG2 4.11Å; I674-A703 HydrophobicContact CG2-CB 4.07Å |
| 675 | I | 81.6 | Confident | 69.9 | Low | 15 Ų | 15 | 84.2 Ų | 84.2 | 8% | 0.077 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 177.3 | -65.1 | 174.1 | 0 | 0 | 0 | 110.4 | S670 D671 T673 D677 L678 L679 L685 A688 Q689 | S670-I675 WeakPolarHBondContact OG-CD1 3.42Å; D671-I675 PolarHBondContact O-N 3.2Å; D671-I675 VanDerWaalsContact O-N 3.12Å; T673-I675 PolarHBondContact O-N 3.48Å; I675-D677 VanDerWaalsContact C-N 3.33Å; I675-D677 PolarHBondContact O-N 3Å; I675-L678 PolarHBondContact O-N 2.85Å; I675-L679 HydrophobicContact CG2-CD1 3.98Å; I675-L679 HydrophobicContact CG2-CG 4.23Å; I675-L679 WeakPolarHBondContact O-CG 3.44Å; I675-L679 PolarHBondContact O-N 2.77Å; I675-L685 HydrophobicContact CG2-CD1 3.82Å; I675-A688 HydrophobicContact CG2-CB 4.22Å; I675-Q689 HydrophobicContact CD1-CG 4.09Å |
| 676 | N | 81.9 | Confident | 72.2 | Confident | 94 Ų | 94 | 80.7 Ų | 80.7 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | -176.5 | -144.8 | 20.4 | 0 | 0 | 0 | 111.4 | V672 T673 I674 L678 L679 V680 | V672-N676 WeakPolarHBondContact O-CB 3.41Å; V672-N676 PolarHBondContact O-N 3.35Å; T673-N676 PolarHBondContact O-N 2.7Å; I674-N676 VanDerWaalsContact C-N 3.33Å; I674-N676 PolarHBondContact O-N 2.88Å; N676-L678 VanDerWaalsContact C-N 3.34Å; N676-L678 PolarHBondContact O-N 3.02Å; N676-L679 PolarHBondContact O-N 2.6Å; N676-V680 VanDerWaalsContact O-CG2 3.29Å; N676-V680 WeakPolarHBondContact O-CG2 3.33Å; N676-V680 PolarHBondContact O-N 3.3Å |
| 677 | D | 83.1 | Confident | 74.6 | Confident | 83 Ų | 83 | 72.9 Ų | 72.9 | 44% | 0.444 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 173.3 | -73.3 | -17 | 0 | 0 | 0 | 111.8 | T673 I674 I675 V680 M681 V700 | T673-D677 PolarHBondContact O-N 2.62Å; I674-D677 PolarHBondContact O-N 3.14Å; I675-D677 VanDerWaalsContact C-N 3.33Å; I675-D677 PolarHBondContact O-N 3Å; D677-V680 PolarHBondContact O-N 2.87Å; D677-M681 WeakPolarHBondContact O-CG 3.42Å; D677-M681 PolarHBondContact O-N 3.31Å; D677-V700 HydrophobicContact CB-CG1 4.06Å; D677-V700 HydrophobicContact CB-CG2 4.28Å |
| 678 | L | 85.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 175.7 | -68 | 172.4 | 0 | 0 | 0 | 112.8 | I674 I675 N676 M681 G682 F683 A688 A691 A703 T704 L707 | I674-L678 HydrophobicContact CG2-CD1 4.11Å; I674-L678 VanDerWaalsContact O-CG 3.27Å; I674-L678 WeakPolarHBondContact O-CG 3.13Å; I674-L678 PolarHBondContact O-N 2.85Å; I675-L678 PolarHBondContact O-N 2.85Å; N676-L678 VanDerWaalsContact C-N 3.34Å; N676-L678 PolarHBondContact O-N 3.02Å; L678-M681 PolarHBondContact O-N 3.48Å; L678-G682 PolarHBondContact O-N 3.1Å; L678-F683 HydrophobicContact CB-CD2 4.36Å; L678-F683 HydrophobicContact CD2-CD2 4.02Å; L678-F683 HydrophobicContact CD2-CE2 4.3Å; L678-F683 WeakPolarHBondContact O-CD2 3.47Å; L678-F683 PolarHBondContact O-N 3.27Å; L678-A688 HydrophobicContact CB-CB 3.78Å; L678-A688 HydrophobicContact CD1-CB 3.87Å; L678-A688 HydrophobicContact CG-CB 4.49Å; L678-A691 HydrophobicContact CD1-CB 4.43Å; L678-A703 HydrophobicContact CD1-CB 3.91Å; L678-T704 HydrophobicContact CD2-CG2 3.3Å; L678-L707 HydrophobicContact CD1-CD1 4Å; L678-L707 HydrophobicContact CD2-CD1 3.72Å; L678-L707 HydrophobicContact CG-CD1 4.37Å |
| 679 | L | 81.7 | Confident | 79.2 | Confident | 66 Ų | 66 | 65 Ų | 65 | 35% | 0.346 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 173.7 | -71.7 | 173.7 | 0 | 0 | 0 | 111.2 | I675 N676 M681 G682 F683 L685 | I675-L679 HydrophobicContact CG2-CD1 3.98Å; I675-L679 HydrophobicContact CG2-CG 4.23Å; I675-L679 WeakPolarHBondContact O-CG 3.44Å; I675-L679 PolarHBondContact O-N 2.77Å; N676-L679 PolarHBondContact O-N 2.6Å; L679-M681 VanDerWaalsContact C-N 3.26Å; L679-M681 PolarHBondContact O-N 2.66Å; L679-G682 PolarHBondContact O-N 3.32Å; L679-F683 WeakPolarHBondContact CD2-O 3.34Å; L679-L685 HydrophobicContact CD1-CD1 4.12Å; L679-L685 HydrophobicContact CD2-CB 4.16Å; L679-L685 HydrophobicContact CD2-CD1 4.43Å |
| 680 | V | 81 | Confident | 81.1 | Confident | 121 Ų | 121 | 56.9 Ų | 56.9 | 73% | 0.733 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63 | -34.5 | 174.7 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | N676 D677 G682 | N676-V680 VanDerWaalsContact O-CG2 3.29Å; N676-V680 WeakPolarHBondContact O-CG2 3.33Å; N676-V680 PolarHBondContact O-N 3.3Å; D677-V680 PolarHBondContact O-N 2.87Å; V680-G682 PolarHBondContact O-N 3.35Å |
| 681 | M | 82.5 | Confident | 82.4 | Confident | 115 Ų | 115 | 55.2 Ų | 55.2 | 57% | 0.567 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -9.7 | 173.7 | -71.3 | -179.1 | 66.2 | 0 | 0 | 114.1 | D677 L678 L679 F683 T704 | D677-M681 WeakPolarHBondContact O-CG 3.42Å; D677-M681 PolarHBondContact O-N 3.31Å; L678-M681 PolarHBondContact O-N 3.48Å; L679-M681 VanDerWaalsContact C-N 3.26Å; L679-M681 PolarHBondContact O-N 2.66Å; M681-F683 HydrophobicContact CB-CD2 4.06Å; M681-F683 HydrophobicContact CB-CE2 4.13Å; M681-F683 HydrophobicContact CE-CE2 4.31Å; M681-T704 HydrophobicContact CE-CG2 3.58Å; M681-T704 HydrophobicContact SD-CG2 3.6Å |
| 682 | G | 81.3 | Confident | 83 | Confident | 66 Ų | 66 | 52.1 Ų | 52.1 | 68% | 0.68 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.8 | 11.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L678 L679 V680 | L678-G682 PolarHBondContact O-N 3.1Å; L679-G682 PolarHBondContact O-N 3.32Å; V680-G682 PolarHBondContact O-N 3.35Å |
| 683 | F | 85.3 | Confident | 83.3 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 16% | 0.158 | 29% | 0.289 | C | S | . | . | trans | -77.1 | 152.3 | 170.7 | -63 | -78 | 0 | 0 | 0 | 110.8 | L678 L679 M681 T704 L707 M708 L711 | L678-F683 HydrophobicContact CB-CD2 4.36Å; L678-F683 HydrophobicContact CD2-CD2 4.02Å; L678-F683 HydrophobicContact CD2-CE2 4.3Å; L678-F683 WeakPolarHBondContact O-CD2 3.47Å; L678-F683 PolarHBondContact O-N 3.27Å; L679-F683 WeakPolarHBondContact CD2-O 3.34Å; M681-F683 HydrophobicContact CB-CD2 4.06Å; M681-F683 HydrophobicContact CB-CE2 4.13Å; M681-F683 HydrophobicContact CE-CE2 4.31Å; F683-T704 HydrophobicContact CE2-CG2 4.23Å; F683-L707 HydrophobicContact CB-CD1 4.28Å; F683-L707 HydrophobicContact CD1-CB 4.2Å; F683-L707 HydrophobicContact CD1-CD1 3.88Å; F683-L707 HydrophobicContact CD1-CD2 4Å; F683-L707 HydrophobicContact CD1-CG 4.25Å; F683-L707 HydrophobicContact CD2-CD1 3.91Å; F683-L707 HydrophobicContact CE1-CB 3.76Å; F683-L707 HydrophobicContact CE1-CD1 4.14Å; F683-L707 HydrophobicContact CE1-CD2 4.37Å; F683-L707 HydrophobicContact CE1-CG 4.3Å; F683-L707 HydrophobicContact CE2-CD1 4.17Å; F683-L707 HydrophobicContact CG-CD1 3.76Å; F683-L707 HydrophobicContact CZ-CB 4.04Å; F683-L707 HydrophobicContact CZ-CD1 4.28Å; F683-M708 HydrophobicContact CZ-SD 4.39Å; F683-L711 HydrophobicContact CE1-CD2 4.17Å | ||
| 684 | T | 84.8 | Confident | 83.3 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 34% | 0.337 | 29% | 0.29 | S | S | . | . | trans | -69.9 | 159.2 | 174.1 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | E686 A687 A688 N717 | T684-E686 VanDerWaalsContact C-N 3.27Å; T684-E686 WeakPolarHBondContact CB-OE2 3.26Å; T684-E686 PolarHBondContact O-N 3.3Å; T684-A687 PolarHBondContact O-N 3.16Å; T684-A687 WeakPolarHBondContact OG1-CB 3.49Å; T684-A687 PolarHBondContact OG1-N 2.92Å; T684-A688 WeakPolarHBondContact O-CB 3.28Å; T684-A688 PolarHBondContact O-N 2.85Å; T684-N717 VanDerWaalsContact CG2-OD1 3.31Å; T684-N717 WeakPolarHBondContact CG2-OD1 3.38Å; T684-N717 PolarHBondContact OG1-OD1 3.07Å | ||
| 685 | L | 81.9 | Confident | 83.2 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 39% | 0.387 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 178.9 | -179.2 | 67.2 | 0 | 0 | 0 | 111 | I675 L679 A688 Q689 | I675-L685 HydrophobicContact CG2-CD1 3.82Å; L679-L685 HydrophobicContact CD1-CD1 4.12Å; L679-L685 HydrophobicContact CD2-CB 4.16Å; L679-L685 HydrophobicContact CD2-CD1 4.43Å; L685-A688 PolarHBondContact O-N 3.29Å; L685-Q689 WeakPolarHBondContact O-CB 3.2Å; L685-Q689 VanDerWaalsContact O-CG 3.28Å; L685-Q689 WeakPolarHBondContact O-CG 3.5Å; L685-Q689 PolarHBondContact O-N 3.33Å |
| 686 | E | 81.8 | Confident | 83.1 | Confident | 72 Ų | 72 | 62.2 Ų | 62.2 | 34% | 0.336 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | -177.7 | -60.2 | 73.9 | -162.3 | 0 | 0 | 111.1 | T684 Q689 K690 | T684-E686 VanDerWaalsContact C-N 3.27Å; T684-E686 WeakPolarHBondContact CB-OE2 3.26Å; T684-E686 PolarHBondContact O-N 3.3Å; E686-Q689 PolarHBondContact O-N 3.2Å; E686-K690 WeakPolarHBondContact O-CG 3.5Å; E686-K690 PolarHBondContact O-N 3.1Å |
| 687 | A | 83.8 | Confident | 83 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T684 Q689 K690 A691 L707 L716 | T684-A687 PolarHBondContact O-N 3.16Å; T684-A687 WeakPolarHBondContact OG1-CB 3.49Å; T684-A687 PolarHBondContact OG1-N 2.92Å; A687-Q689 PolarHBondContact O-N 3.16Å; A687-K690 PolarHBondContact O-N 3.49Å; A687-A691 WeakPolarHBondContact O-CB 3.5Å; A687-A691 PolarHBondContact O-N 3.17Å; A687-L707 HydrophobicContact CB-CD2 3.64Å; A687-L716 HydrophobicContact CB-CD1 4.13Å; A687-L716 HydrophobicContact CB-CD2 4.15Å; A687-L716 HydrophobicContact CB-CG 3.82Å |
| 688 | A | 86 | Confident | 82.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I675 L678 T684 L685 A691 C692 | I675-A688 HydrophobicContact CG2-CB 4.22Å; L678-A688 HydrophobicContact CB-CB 3.78Å; L678-A688 HydrophobicContact CD1-CB 3.87Å; L678-A688 HydrophobicContact CG-CB 4.49Å; T684-A688 WeakPolarHBondContact O-CB 3.28Å; T684-A688 PolarHBondContact O-N 2.85Å; L685-A688 PolarHBondContact O-N 3.29Å; A688-A691 PolarHBondContact O-N 3.42Å; A688-C692 WeakPolarHBondContact O-CB 3.34Å; A688-C692 PolarHBondContact O-N 2.95Å; A688-C692 PolarHBondContact O-SG 3.04Å |
| 689 | Q | 85.1 | Confident | 82.7 | Confident | 74 Ų | 74 | 61 Ų | 61 | 35% | 0.346 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 175.4 | -76.5 | 177 | -18.8 | 0 | 0 | 112.2 | I675 L685 E686 A687 C692 K693 | I675-Q689 HydrophobicContact CD1-CG 4.09Å; L685-Q689 WeakPolarHBondContact O-CB 3.2Å; L685-Q689 VanDerWaalsContact O-CG 3.28Å; L685-Q689 WeakPolarHBondContact O-CG 3.5Å; L685-Q689 PolarHBondContact O-N 3.33Å; E686-Q689 PolarHBondContact O-N 3.2Å; A687-Q689 PolarHBondContact O-N 3.16Å; Q689-C692 PolarHBondContact O-N 3.3Å; Q689-K693 VanDerWaalsContact O-CB 3.31Å; Q689-K693 WeakPolarHBondContact O-CB 3.44Å; Q689-K693 PolarHBondContact O-N 3.29Å |
| 690 | K | 84.2 | Confident | 83 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 7% | 0.065 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 173.7 | -77.5 | -175.3 | -173.2 | -177.5 | 0 | 111.2 | E686 A687 C692 K693 F694 W706 D715 L716 D718 L720 | E686-K690 WeakPolarHBondContact O-CG 3.5Å; E686-K690 PolarHBondContact O-N 3.1Å; A687-K690 PolarHBondContact O-N 3.49Å; K690-C692 VanDerWaalsContact C-N 3.35Å; K690-C692 PolarHBondContact O-N 2.86Å; K690-K693 PolarHBondContact O-N 3.46Å; K690-K693 VanDerWaalsContact O-N 3.15Å; K690-F694 HydrophobicContact CB-CD2 4.32Å; K690-F694 HydrophobicContact CB-CE2 4.47Å; K690-F694 WeakPolarHBondContact O-CD2 3.49Å; K690-F694 PolarHBondContact O-N 3.15Å; K690-W706 HydrophobicContact CB-CH2 4.17Å; K690-W706 HydrophobicContact CB-CZ3 4.13Å; K690-D715 PolarHBondContact NZ-O 3.37Å; K690-L716 WeakPolarHBondContact CD-O 3.15Å; K690-D718 WeakPolarHBondContact CE-O 3.48Å; K690-D718 PolarHBondContact NZ-O 2.92Å; K690-L720 HydrophobicContact CD-CD2 4.49Å; K690-L720 HydrophobicContact CG-CD1 4.3Å; K690-L720 HydrophobicContact CG-CD2 3.86Å; K690-L720 HydrophobicContact CG-CG 3.92Å |
| 691 | A | 84.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L678 A687 A688 K693 F694 T695 A703 W706 L707 | L678-A691 HydrophobicContact CD1-CB 4.43Å; A687-A691 WeakPolarHBondContact O-CB 3.5Å; A687-A691 PolarHBondContact O-N 3.17Å; A688-A691 PolarHBondContact O-N 3.42Å; A691-K693 VanDerWaalsContact C-N 3.34Å; A691-K693 PolarHBondContact O-N 3.19Å; A691-F694 PolarHBondContact O-N 2.97Å; A691-T695 VanDerWaalsContact O-CB 3.31Å; A691-T695 WeakPolarHBondContact O-CB 3.19Å; A691-T695 VanDerWaalsContact O-CG2 3.31Å; A691-T695 WeakPolarHBondContact O-CG2 3.32Å; A691-T695 PolarHBondContact O-N 2.95Å; A691-T695 PolarHBondContact O-OG1 3.29Å; A691-A703 HydrophobicContact CB-CB 4.15Å; A691-W706 HydrophobicContact CB-CE3 3.74Å; A691-W706 HydrophobicContact CB-CZ3 4.21Å; A691-L707 HydrophobicContact CB-CD1 3.73Å; A691-L707 HydrophobicContact CB-CD2 4.18Å; A691-L707 HydrophobicContact CB-CG 3.61Å |
| 692 | C | 86.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.2 | -70.1 | 0 | 0 | 0 | 0 | 111.9 | I674 A688 Q689 K690 Q696 N697 | I674-C692 VanDerWaalsContact CG2-SG 3.57Å; A688-C692 WeakPolarHBondContact O-CB 3.34Å; A688-C692 PolarHBondContact O-N 2.95Å; A688-C692 PolarHBondContact O-SG 3.04Å; Q689-C692 PolarHBondContact O-N 3.3Å; K690-C692 VanDerWaalsContact C-N 3.35Å; K690-C692 PolarHBondContact O-N 2.86Å; C692-Q696 WeakPolarHBondContact O-CA 3.27Å; C692-Q696 PolarHBondContact O-N 2.89Å; C692-N697 WeakPolarHBondContact CB-OD1 3.3Å; C692-N697 PolarHBondContact O-N 3.4Å |
| 693 | K | 83.4 | Confident | 83.9 | Confident | 113 Ų | 113 | 55.9 Ų | 55.9 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.5 | -46.2 | 178.6 | -171.5 | 172.1 | -176.1 | 168.1 | 0 | 112.6 | Q689 K690 A691 Q696 L720 | Q689-K693 VanDerWaalsContact O-CB 3.31Å; Q689-K693 WeakPolarHBondContact O-CB 3.44Å; Q689-K693 PolarHBondContact O-N 3.29Å; K690-K693 PolarHBondContact O-N 3.46Å; K690-K693 VanDerWaalsContact O-N 3.15Å; A691-K693 VanDerWaalsContact C-N 3.34Å; A691-K693 PolarHBondContact O-N 3.19Å; K693-Q696 PolarHBondContact O-N 2.67Å; K693-L720 HydrophobicContact CD-CD1 3.87Å; K693-L720 HydrophobicContact CD-CD2 4.36Å |
| 694 | F | 80 | Confident | 84 | Confident | 129 Ų | 129 | 55.1 Ų | 55.1 | 57% | 0.566 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71.5 | -36.3 | -179.6 | -81.3 | -72.4 | 0 | 0 | 0 | 112.7 | K690 A691 Q696 W706 | K690-F694 HydrophobicContact CB-CD2 4.32Å; K690-F694 HydrophobicContact CB-CE2 4.47Å; K690-F694 WeakPolarHBondContact O-CD2 3.49Å; K690-F694 PolarHBondContact O-N 3.15Å; A691-F694 PolarHBondContact O-N 2.97Å; F694-Q696 VanDerWaalsContact C-N 3.27Å; F694-Q696 PolarHBondContact O-N 2.76Å; F694-W706 HydrophobicContact CB-CD2 4.31Å; F694-W706 HydrophobicContact CB-CZ2 4.04Å; F694-W706 HydrophobicContact CD1-CZ2 4.45Å; F694-W706 AromaticContact CD2-CH2 3.59Å; F694-W706 HydrophobicContact CD2-CH2 3.59Å; F694-W706 AromaticContact CD2-CZ2 3.33Å; F694-W706 HydrophobicContact CD2-CZ2 3.33Å; F694-W706 HydrophobicContact CD2-CZ3 4.42Å; F694-W706 HydrophobicContact CE2-CH2 4.01Å; F694-W706 AromaticContact CE2-CZ2 3.85Å; F694-W706 HydrophobicContact CE2-CZ2 3.85Å; F694-W706 AromaticContact CG-CE2 3.96Å; F694-W706 HydrophobicContact CG-CH2 4.36Å; F694-W706 AromaticContact CG-CZ2 3.7Å; F694-W706 HydrophobicContact CG-CZ2 3.7Å |
| 695 | T | 83.2 | Confident | 84.1 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 13% | 0.129 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 3.2 | 177.2 | 64.4 | 0 | 0 | 0 | 0 | 113.7 | A691 N697 S698 N702 W706 | A691-T695 VanDerWaalsContact O-CB 3.31Å; A691-T695 WeakPolarHBondContact O-CB 3.19Å; A691-T695 VanDerWaalsContact O-CG2 3.31Å; A691-T695 WeakPolarHBondContact O-CG2 3.32Å; A691-T695 PolarHBondContact O-N 2.95Å; A691-T695 PolarHBondContact O-OG1 3.29Å; T695-N697 VanDerWaalsContact C-N 3.25Å; T695-N697 PolarHBondContact O-N 3.14Å; T695-S698 VanDerWaalsContact O-CB 3.25Å; T695-S698 WeakPolarHBondContact O-CB 3.35Å; T695-S698 PolarHBondContact O-N 3.07Å; T695-S698 VanDerWaalsContact O-N 3.08Å; T695-S698 PolarHBondContact O-OG 2.87Å; T695-N702 HydrophobicContact CG2-CB 4.38Å; T695-W706 HydrophobicContact CG2-CB 3.74Å; T695-W706 HydrophobicContact CG2-CG 4.13Å |
| 696 | Q | 78.7 | Confident | 84.5 | Confident | 170 Ų | 170 | 55.5 Ų | 55.5 | 79% | 0.794 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 40.6 | -177.7 | -59.1 | -178 | 4.7 | 0 | 0 | 113.4 | C692 K693 F694 S698 | C692-Q696 WeakPolarHBondContact O-CA 3.27Å; C692-Q696 PolarHBondContact O-N 2.89Å; K693-Q696 PolarHBondContact O-N 2.67Å; F694-Q696 VanDerWaalsContact C-N 3.27Å; F694-Q696 PolarHBondContact O-N 2.76Å; Q696-S698 PolarHBondContact O-N 3.47Å |
| 697 | N | 80.7 | Confident | 84.9 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 31.9 | -176.6 | -54.3 | -48.3 | 0 | 0 | 0 | 114 | Q669 D671 I674 C692 T695 | Q669-N697 PolarHBondContact O-ND2 3.34Å; D671-N697 HydrophobicContact CB-CB 4.17Å; D671-N697 PolarHBondContact N-OD1 2.88Å; D671-N697 VanDerWaalsContact N-OD1 3.1Å; I674-N697 HydrophobicContact CD1-CB 4.15Å; C692-N697 WeakPolarHBondContact CB-OD1 3.3Å; C692-N697 PolarHBondContact O-N 3.4Å; T695-N697 VanDerWaalsContact C-N 3.25Å; T695-N697 PolarHBondContact O-N 3.14Å |
| 698 | S | 77.6 | Confident | 84.9 | Confident | 70 Ų | 70 | 57.8 Ų | 57.8 | 49% | 0.49 | 29% | 0.29 | S | S | . | . | trans | -67.9 | -43.4 | -173 | 51.9 | 0 | 0 | 0 | 0 | 114.4 | T695 Q696 N702 | T695-S698 VanDerWaalsContact O-CB 3.25Å; T695-S698 WeakPolarHBondContact O-CB 3.35Å; T695-S698 PolarHBondContact O-N 3.07Å; T695-S698 VanDerWaalsContact O-N 3.08Å; T695-S698 PolarHBondContact O-OG 2.87Å; Q696-S698 PolarHBondContact O-N 3.47Å; S698-N702 WeakPolarHBondContact OG-CB 3.48Å; S698-N702 PolarHBondContact OG-ND2 2.95Å | ||
| 699 | S | 84.1 | Confident | 84.9 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | trans | -168.3 | 161.1 | 170.8 | 69.1 | 0 | 0 | 0 | 0 | 111.1 | E701 N702 A703 | S699-E701 VanDerWaalsContact C-N 3.25Å; S699-E701 PolarHBondContact O-N 2.71Å; S699-N702 PolarHBondContact O-N 2.94Å; S699-N702 PolarHBondContact OG-N 3.07Å; S699-A703 PolarHBondContact O-N 3.15Å | ||
| 700 | V | 88.1 | Confident | 85 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 25% | 0.248 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.1 | -37.9 | 172.3 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | I674 D677 A703 T704 | I674-V700 HydrophobicContact CB-CG2 4.29Å; I674-V700 HydrophobicContact CG1-CG2 4.01Å; I674-V700 HydrophobicContact CG2-CG2 4.11Å; D677-V700 HydrophobicContact CB-CG1 4.06Å; D677-V700 HydrophobicContact CB-CG2 4.28Å; V700-A703 PolarHBondContact O-N 3.01Å; V700-T704 HydrophobicContact CG1-CG2 4.46Å; V700-T704 WeakPolarHBondContact O-CB 3.36Å; V700-T704 WeakPolarHBondContact O-CG2 3.39Å; V700-T704 PolarHBondContact O-N 3Å; V700-T704 PolarHBondContact O-OG1 3.48Å |
| 701 | E | 87.3 | Confident | 84.9 | Confident | 146 Ų | 146 | 67.3 Ų | 67.3 | 68% | 0.682 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 178.2 | -66.3 | 174.8 | 174 | 0 | 0 | 112.5 | S699 T704 N705 | S699-E701 VanDerWaalsContact C-N 3.25Å; S699-E701 PolarHBondContact O-N 2.71Å; E701-T704 VanDerWaalsContact CA-OG1 3.25Å; E701-T704 WeakPolarHBondContact CA-OG1 3.47Å; E701-T704 PolarHBondContact O-OG1 2.67Å; E701-N705 WeakPolarHBondContact O-CB 3.05Å; E701-N705 VanDerWaalsContact O-CG 3.23Å; E701-N705 PolarHBondContact O-N 3.21Å; E701-N705 PolarHBondContact O-ND2 2.95Å |
| 702 | N | 87.1 | Confident | 84.8 | Confident | 74 Ų | 74 | 75 Ų | 75 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.1 | -41 | 176.4 | -74.7 | -11.8 | 0 | 0 | 0 | 111.3 | T695 S698 S699 N705 W706 | T695-N702 HydrophobicContact CG2-CB 4.38Å; S698-N702 WeakPolarHBondContact OG-CB 3.48Å; S698-N702 PolarHBondContact OG-ND2 2.95Å; S699-N702 PolarHBondContact O-N 2.94Å; S699-N702 PolarHBondContact OG-N 3.07Å; N702-N705 PolarHBondContact O-N 3.47Å; N702-W706 WeakPolarHBondContact O-CB 3.17Å; N702-W706 PolarHBondContact O-N 3.27Å |
| 703 | A | 87.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I674 L678 A691 S699 V700 L707 | I674-A703 HydrophobicContact CG2-CB 4.07Å; L678-A703 HydrophobicContact CD1-CB 3.91Å; A691-A703 HydrophobicContact CB-CB 4.15Å; S699-A703 PolarHBondContact O-N 3.15Å; V700-A703 PolarHBondContact O-N 3.01Å; A703-L707 WeakPolarHBondContact O-CB 3.45Å; A703-L707 WeakPolarHBondContact O-CG 3.36Å; A703-L707 PolarHBondContact O-N 3.28Å |
| 704 | T | 87.3 | Confident | 84 | Confident | 20 Ų | 20 | 78.6 Ų | 78.6 | 12% | 0.123 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 173.5 | 40.8 | 0 | 0 | 0 | 0 | 112.4 | L678 M681 F683 V700 E701 W706 L707 M708 | L678-T704 HydrophobicContact CD2-CG2 3.3Å; M681-T704 HydrophobicContact CE-CG2 3.58Å; M681-T704 HydrophobicContact SD-CG2 3.6Å; F683-T704 HydrophobicContact CE2-CG2 4.23Å; V700-T704 HydrophobicContact CG1-CG2 4.46Å; V700-T704 WeakPolarHBondContact O-CB 3.36Å; V700-T704 WeakPolarHBondContact O-CG2 3.39Å; V700-T704 PolarHBondContact O-N 3Å; V700-T704 PolarHBondContact O-OG1 3.48Å; E701-T704 VanDerWaalsContact CA-OG1 3.25Å; E701-T704 WeakPolarHBondContact CA-OG1 3.47Å; E701-T704 PolarHBondContact O-OG1 2.67Å; T704-W706 PolarHBondContact O-N 3.47Å; T704-L707 WeakPolarHBondContact O-CB 3.3Å; T704-L707 PolarHBondContact O-N 3.48Å; T704-M708 WeakPolarHBondContact O-CG 3.22Å; T704-M708 PolarHBondContact O-N 3.28Å |
| 705 | N | 86.8 | Confident | 83.9 | Confident | 97 Ų | 97 | 76.2 Ų | 76.2 | 52% | 0.519 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 175.4 | -77.8 | -25.1 | 0 | 0 | 0 | 112 | E701 N702 L707 M708 E709 | E701-N705 WeakPolarHBondContact O-CB 3.05Å; E701-N705 VanDerWaalsContact O-CG 3.23Å; E701-N705 PolarHBondContact O-N 3.21Å; E701-N705 PolarHBondContact O-ND2 2.95Å; N702-N705 PolarHBondContact O-N 3.47Å; N705-L707 VanDerWaalsContact C-N 3.34Å; N705-L707 PolarHBondContact O-N 2.81Å; N705-M708 PolarHBondContact O-N 2.8Å; N705-E709 WeakPolarHBondContact O-CG 3.47Å; N705-E709 PolarHBondContact O-N 3.4Å |
| 706 | W | 90.4 | Very high | 83.6 | Confident | 41 Ų | 41 | 75.6 Ų | 75.6 | 16% | 0.155 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 175.9 | -173.3 | 87.7 | 0 | 0 | 0 | 111.2 | K690 A691 F694 T695 N702 T704 M708 E709 H710 L716 | K690-W706 HydrophobicContact CB-CH2 4.17Å; K690-W706 HydrophobicContact CB-CZ3 4.13Å; A691-W706 HydrophobicContact CB-CE3 3.74Å; A691-W706 HydrophobicContact CB-CZ3 4.21Å; F694-W706 HydrophobicContact CB-CD2 4.31Å; F694-W706 HydrophobicContact CB-CZ2 4.04Å; F694-W706 HydrophobicContact CD1-CZ2 4.45Å; F694-W706 AromaticContact CD2-CH2 3.59Å; F694-W706 HydrophobicContact CD2-CH2 3.59Å; F694-W706 AromaticContact CD2-CZ2 3.33Å; F694-W706 HydrophobicContact CD2-CZ2 3.33Å; F694-W706 HydrophobicContact CD2-CZ3 4.42Å; F694-W706 HydrophobicContact CE2-CH2 4.01Å; F694-W706 AromaticContact CE2-CZ2 3.85Å; F694-W706 HydrophobicContact CE2-CZ2 3.85Å; F694-W706 AromaticContact CG-CE2 3.96Å; F694-W706 HydrophobicContact CG-CH2 4.36Å; F694-W706 AromaticContact CG-CZ2 3.7Å; F694-W706 HydrophobicContact CG-CZ2 3.7Å; T695-W706 HydrophobicContact CG2-CB 3.74Å; T695-W706 HydrophobicContact CG2-CG 4.13Å; N702-W706 WeakPolarHBondContact O-CB 3.17Å; N702-W706 PolarHBondContact O-N 3.27Å; T704-W706 PolarHBondContact O-N 3.47Å; W706-M708 VanDerWaalsContact C-N 3.35Å; W706-M708 PolarHBondContact O-N 2.86Å; W706-E709 PolarHBondContact O-N 3.17Å; W706-H710 AromaticContact CD1-CE1 3.49Å; W706-H710 VanDerWaalsContact CD1-CE1 3.49Å; W706-H710 AromaticContact CD1-ND1 3.83Å; W706-H710 AromaticContact CD2-ND1 3.76Å; W706-H710 AromaticContact CE2-CD2 3.77Å; W706-H710 AromaticContact CE2-CE1 3.52Å; W706-H710 AromaticContact CE2-CG 3.78Å; W706-H710 AromaticContact CE2-ND1 3.6Å; W706-H710 AromaticContact CE2-NE2 3.6Å; W706-H710 HydrophobicContact CE3-CB 4.49Å; W706-H710 AromaticContact CG-ND1 3.93Å; W706-H710 HydrophobicContact CH2-CB 4.24Å; W706-H710 HydrophobicContact CZ2-CB 4.43Å; W706-H710 AromaticContact CZ2-CD2 3.5Å; W706-H710 AromaticContact CZ2-CG 3.76Å; W706-H710 AromaticContact CZ2-NE2 3.71Å; W706-H710 HydrophobicContact CZ3-CB 4.28Å; W706-H710 AromaticContact NE1-CE1 3.14Å; W706-H710 PolarHBondContact NE1-CE1 3.02Å; W706-H710 AromaticContact NE1-ND1 3.64Å; W706-H710 AromaticContact NE1-NE2 3.37Å; W706-H710 PolarHBondContact NE1-NE2 3.23Å; W706-H710 PolarHBondContact O-N 2.97Å; W706-H710 VanDerWaalsContact O-N 3.08Å; W706-H710 PolarHBondContact O-ND1 3.5Å; W706-L716 HydrophobicContact CH2-CD1 4.16Å; W706-L716 HydrophobicContact CZ3-CD1 3.77Å |
| 707 | L | 90.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 175.2 | -83 | 160.9 | 0 | 0 | 0 | 112.1 | L678 F683 A687 A691 A703 T704 N705 E709 H710 L711 L716 | L678-L707 HydrophobicContact CD1-CD1 4Å; L678-L707 HydrophobicContact CD2-CD1 3.72Å; L678-L707 HydrophobicContact CG-CD1 4.37Å; F683-L707 HydrophobicContact CB-CD1 4.28Å; F683-L707 HydrophobicContact CD1-CB 4.2Å; F683-L707 HydrophobicContact CD1-CD1 3.88Å; F683-L707 HydrophobicContact CD1-CD2 4Å; F683-L707 HydrophobicContact CD1-CG 4.25Å; F683-L707 HydrophobicContact CD2-CD1 3.91Å; F683-L707 HydrophobicContact CE1-CB 3.76Å; F683-L707 HydrophobicContact CE1-CD1 4.14Å; F683-L707 HydrophobicContact CE1-CD2 4.37Å; F683-L707 HydrophobicContact CE1-CG 4.3Å; F683-L707 HydrophobicContact CE2-CD1 4.17Å; F683-L707 HydrophobicContact CG-CD1 3.76Å; F683-L707 HydrophobicContact CZ-CB 4.04Å; F683-L707 HydrophobicContact CZ-CD1 4.28Å; A687-L707 HydrophobicContact CB-CD2 3.64Å; A691-L707 HydrophobicContact CB-CD1 3.73Å; A691-L707 HydrophobicContact CB-CD2 4.18Å; A691-L707 HydrophobicContact CB-CG 3.61Å; A703-L707 WeakPolarHBondContact O-CB 3.45Å; A703-L707 WeakPolarHBondContact O-CG 3.36Å; A703-L707 PolarHBondContact O-N 3.28Å; T704-L707 WeakPolarHBondContact O-CB 3.3Å; T704-L707 PolarHBondContact O-N 3.48Å; N705-L707 VanDerWaalsContact C-N 3.34Å; N705-L707 PolarHBondContact O-N 2.81Å; L707-E709 VanDerWaalsContact C-N 3.26Å; L707-E709 PolarHBondContact O-N 3.15Å; L707-H710 CarbonylContact O-C 3.29Å; L707-H710 PolarHBondContact O-N 2.95Å; L707-L711 WeakPolarHBondContact O-CG 3.43Å; L707-L711 PolarHBondContact O-N 3.09Å; L707-L716 HydrophobicContact CD2-CD1 4.09Å; L707-L716 HydrophobicContact CD2-CD2 4.19Å |
| 708 | M | 84.5 | Confident | 83.3 | Confident | 121 Ų | 121 | 73.7 Ų | 73.7 | 60% | 0.596 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.2 | -32.8 | 179.6 | -67 | -69 | -78.9 | 0 | 0 | 112.4 | F683 T704 N705 W706 H710 L711 | F683-M708 HydrophobicContact CZ-SD 4.39Å; T704-M708 WeakPolarHBondContact O-CG 3.22Å; T704-M708 PolarHBondContact O-N 3.28Å; N705-M708 PolarHBondContact O-N 2.8Å; W706-M708 VanDerWaalsContact C-N 3.35Å; W706-M708 PolarHBondContact O-N 2.86Å; M708-H710 VanDerWaalsContact C-N 3.34Å; M708-L711 HydrophobicContact SD-CD1 3.71Å |
| 709 | E | 85.5 | Confident | 82.6 | Confident | 154 Ų | 154 | 75.3 Ų | 75.3 | 72% | 0.72 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -73.7 | -23.9 | 174.5 | -72.1 | 179.5 | 175.1 | 0 | 0 | 113.3 | N705 W706 L707 | N705-E709 WeakPolarHBondContact O-CG 3.47Å; N705-E709 PolarHBondContact O-N 3.4Å; W706-E709 PolarHBondContact O-N 3.17Å; L707-E709 VanDerWaalsContact C-N 3.26Å; L707-E709 PolarHBondContact O-N 3.15Å |
| 710 | H | 86.4 | Confident | 81.2 | Confident | 47 Ų | 47 | 76.8 Ų | 76.8 | 22% | 0.218 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -112.9 | 12.7 | -174.5 | -62 | 67.6 | 0 | 0 | 0 | 112.6 | W706 L707 M708 D712 D713 L716 | W706-H710 AromaticContact CD1-CE1 3.49Å; W706-H710 VanDerWaalsContact CD1-CE1 3.49Å; W706-H710 AromaticContact CD1-ND1 3.83Å; W706-H710 AromaticContact CD2-ND1 3.76Å; W706-H710 AromaticContact CE2-CD2 3.77Å; W706-H710 AromaticContact CE2-CE1 3.52Å; W706-H710 AromaticContact CE2-CG 3.78Å; W706-H710 AromaticContact CE2-ND1 3.6Å; W706-H710 AromaticContact CE2-NE2 3.6Å; W706-H710 HydrophobicContact CE3-CB 4.49Å; W706-H710 AromaticContact CG-ND1 3.93Å; W706-H710 HydrophobicContact CH2-CB 4.24Å; W706-H710 HydrophobicContact CZ2-CB 4.43Å; W706-H710 AromaticContact CZ2-CD2 3.5Å; W706-H710 AromaticContact CZ2-CG 3.76Å; W706-H710 AromaticContact CZ2-NE2 3.71Å; W706-H710 HydrophobicContact CZ3-CB 4.28Å; W706-H710 AromaticContact NE1-CE1 3.14Å; W706-H710 PolarHBondContact NE1-CE1 3.02Å; W706-H710 AromaticContact NE1-ND1 3.64Å; W706-H710 AromaticContact NE1-NE2 3.37Å; W706-H710 PolarHBondContact NE1-NE2 3.23Å; W706-H710 PolarHBondContact O-N 2.97Å; W706-H710 VanDerWaalsContact O-N 3.08Å; W706-H710 PolarHBondContact O-ND1 3.5Å; L707-H710 CarbonylContact O-C 3.29Å; L707-H710 PolarHBondContact O-N 2.95Å; M708-H710 VanDerWaalsContact C-N 3.34Å; H710-D712 PolarHBondContact O-N 3.27Å; H710-D713 WeakPolarHBondContact CB-OD2 3.38Å; H710-D713 IonicContact CD2-OD2 3.81Å; H710-D713 PolarHBondContact CD2-OD2 2.83Å; H710-D713 IonicContact CG-OD2 2.78Å; H710-D713 VanDerWaalsContact O-CB 3.31Å; H710-D713 WeakPolarHBondContact O-CB 3.36Å; H710-D713 PolarHBondContact O-N 3.31Å; H710-L716 HydrophobicContact CB-CD1 4.32Å |
| 711 | L | 83.5 | Confident | 78.9 | Confident | 89 Ų | 89 | 80 Ų | 80 | 47% | 0.466 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30.7 | -178.8 | -88.4 | 174.4 | 0 | 0 | 0 | 113.6 | F683 L707 M708 D713 | F683-L711 HydrophobicContact CE1-CD2 4.17Å; L707-L711 WeakPolarHBondContact O-CG 3.43Å; L707-L711 PolarHBondContact O-N 3.09Å; M708-L711 HydrophobicContact SD-CD1 3.71Å; L711-D713 VanDerWaalsContact C-N 3.31Å |
| 712 | D | 80.8 | Confident | 76.2 | Confident | 161 Ų | 161 | 78.2 Ų | 78.2 | 86% | 0.861 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.6 | -179.8 | -67.1 | -32.5 | 0 | 0 | 0 | 112.8 | H710 | H710-D712 PolarHBondContact O-N 3.27Š|
| 713 | D | 79.8 | Confident | 73.6 | Confident | 66 Ų | 66 | 80.3 Ų | 80.3 | 35% | 0.353 | 45% | 0.448 | S | S | . | . | trans | -73.2 | 122.5 | -179.9 | -75 | -14.7 | 0 | 0 | 0 | 110.4 | H710 L711 D715 L716 | H710-D713 WeakPolarHBondContact CB-OD2 3.38Å; H710-D713 IonicContact CD2-OD2 3.81Å; H710-D713 PolarHBondContact CD2-OD2 2.83Å; H710-D713 IonicContact CG-OD2 2.78Å; H710-D713 VanDerWaalsContact O-CB 3.31Å; H710-D713 WeakPolarHBondContact O-CB 3.36Å; H710-D713 PolarHBondContact O-N 3.31Å; L711-D713 VanDerWaalsContact C-N 3.31Å; D713-D715 PolarHBondContact O-N 2.82Å; D713-D715 VanDerWaalsContact O-N 3.16Å; D713-L716 HydrophobicContact CB-CB 4.28Å; D713-L716 WeakPolarHBondContact O-CB 3.44Å; D713-L716 PolarHBondContact O-N 2.84Å; D713-L716 VanDerWaalsContact O-N 3.09Å | ||
| 714 | P | 73.7 | Confident | 70.6 | Confident | 123 Ų | 123 | 85.4 Ų | 85.4 | 80% | 0.799 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.9 | -175 | 26.7 | -34.2 | 0 | 0 | 0 | 112.4 | ||
| 715 | D | 77.2 | Confident | 67.5 | Low | 79 Ų | 79 | 91.9 Ų | 91.9 | 42% | 0.422 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 0.3 | 179.7 | 70.2 | -39.2 | 0 | 0 | 0 | 112.8 | K690 D713 N717 D718 | K690-D715 PolarHBondContact NZ-O 3.37Å; D713-D715 PolarHBondContact O-N 2.82Å; D713-D715 VanDerWaalsContact O-N 3.16Å; D715-N717 PolarHBondContact O-N 2.9Å; D715-N717 VanDerWaalsContact O-N 3.13Å; D715-D718 WeakPolarHBondContact CA-OD2 3.26Å; D715-D718 HydrophobicContact CB-CB 4.33Å; D715-D718 VanDerWaalsContact O-CB 3.31Å; D715-D718 WeakPolarHBondContact O-CB 3.14Å; D715-D718 PolarHBondContact O-N 2.99Å |
| 716 | L | 78.3 | Confident | 64.5 | Low | 7 Ų | 7 | 98.7 Ų | 98.7 | 4% | 0.037 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -41.2 | -175.2 | -178.5 | 66.3 | 0 | 0 | 0 | 112.6 | A687 K690 W706 L707 H710 D713 | A687-L716 HydrophobicContact CB-CD1 4.13Å; A687-L716 HydrophobicContact CB-CD2 4.15Å; A687-L716 HydrophobicContact CB-CG 3.82Å; K690-L716 WeakPolarHBondContact CD-O 3.15Å; W706-L716 HydrophobicContact CH2-CD1 4.16Å; W706-L716 HydrophobicContact CZ3-CD1 3.77Å; L707-L716 HydrophobicContact CD2-CD1 4.09Å; L707-L716 HydrophobicContact CD2-CD2 4.19Å; H710-L716 HydrophobicContact CB-CD1 4.32Å; D713-L716 HydrophobicContact CB-CB 4.28Å; D713-L716 WeakPolarHBondContact O-CB 3.44Å; D713-L716 PolarHBondContact O-N 2.84Å; D713-L716 VanDerWaalsContact O-N 3.09Å |
| 717 | N | 78.5 | Confident | 61.2 | Low | 87 Ų | 87 | 105.1 Ų | 105.1 | 47% | 0.465 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.3 | 1.3 | 179.4 | -61.1 | -63.2 | 0 | 0 | 0 | 113.6 | T684 D715 | T684-N717 VanDerWaalsContact CG2-OD1 3.31Å; T684-N717 WeakPolarHBondContact CG2-OD1 3.38Å; T684-N717 PolarHBondContact OG1-OD1 3.07Å; D715-N717 PolarHBondContact O-N 2.9Å; D715-N717 VanDerWaalsContact O-N 3.13Å |
| 718 | D | 74.9 | Confident | 57.9 | Low | 89 Ų | 89 | 114.1 Ų | 114.1 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -75.5 | 137.3 | 177.7 | -70.7 | -15.8 | 0 | 0 | 0 | 110.4 | K690 D715 L720 | K690-D718 WeakPolarHBondContact CE-O 3.48Å; K690-D718 PolarHBondContact NZ-O 2.92Å; D715-D718 WeakPolarHBondContact CA-OD2 3.26Å; D715-D718 HydrophobicContact CB-CB 4.33Å; D715-D718 VanDerWaalsContact O-CB 3.31Å; D715-D718 WeakPolarHBondContact O-CB 3.14Å; D715-D718 PolarHBondContact O-N 2.99Å; D718-L720 PolarHBondContact O-N 3.15Å |
| 719 | P | 62.6 | Low | 54.8 | Low | 104 Ų | 104 | 117.3 Ų | 117.3 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 138 | 178.3 | 22.2 | -31 | 0 | 0 | 0 | 111.5 | ||
| 720 | L | 53.5 | Low | 51.7 | Low | 67 Ų | 67 | 117.4 Ų | 117.4 | 35% | 0.351 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 130.9 | 178.6 | -81.6 | 165.9 | 0 | 0 | 0 | 110.6 | K690 K693 D718 | K690-L720 HydrophobicContact CD-CD2 4.49Å; K690-L720 HydrophobicContact CG-CD1 4.3Å; K690-L720 HydrophobicContact CG-CD2 3.86Å; K690-L720 HydrophobicContact CG-CG 3.92Å; K693-L720 HydrophobicContact CD-CD1 3.87Å; K693-L720 HydrophobicContact CD-CD2 4.36Å; D718-L720 PolarHBondContact O-N 3.15Å |
| 721 | P | 39.5 | Very low | 48.7 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 70% | 0.695 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 144.3 | -179.8 | 25 | -31.4 | 0 | 0 | 0 | 111.7 | ||
| 722 | P | 31.6 | Very low | 45.5 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 146 | -176.9 | 27 | -33.9 | 0 | 0 | 0 | 112 | S724 | P722-S724 PolarHBondContact O-N 3.41Š|
| 723 | P | 32.7 | Very low | 42.7 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 130.8 | -173.7 | 23.1 | -30.8 | 0 | 0 | 0 | 112 | ||
| 724 | S | 25.1 | Very low | 39.9 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 126.1 | -177.1 | -39.9 | 0 | 0 | 0 | 0 | 111.6 | P722 | P722-S724 PolarHBondContact O-N 3.41Š|
| 725 | D | 22.6 | Very low | 37.4 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | trans | 35.5 | 93.2 | 155.4 | -66.8 | -29.9 | 0 | 0 | 0 | 118.1 | ||||
| 726 | Y | 23.5 | Very low | 34.8 | Very low | 239 Ų | 239 | 138.3 Ų | 138.3 | 94% | 0.937 | 72% | 0.72 | S | S | * | * | trans | -119.6 | 126 | 145.7 | -104.1 | -92.6 | 0 | 0 | 0 | 111.7 | ||||
| 727 | Q | 21.2 | Very low | 32.1 | Very low | 177 Ų | 177 | 144.4 Ų | 144.4 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -65.5 | 133.2 | -172.2 | -65.1 | 168.2 | -11.4 | 0 | 0 | 112.3 | Q729 | Q727-Q729 PolarHBondContact O-N 2.77Š| ||
| 728 | Q | 20 | Very low | 29.5 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | 12.1 | 103.8 | 144.7 | -64.9 | 175.2 | 2.4 | 0 | 0 | 116.5 | ||||
| 729 | Q | 20.8 | Very low | 27.1 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -133.4 | 110.8 | 139.7 | -73.2 | -166.8 | 5.9 | 0 | 0 | 111 | Q727 K731 | Q727-Q729 PolarHBondContact O-N 2.77Å; Q729-K731 PolarHBondContact O-N 3.06Å | ||
| 730 | N | 20.1 | Very low | 25.4 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -45.4 | 117.8 | 162.3 | -75.3 | -48.2 | 0 | 0 | 0 | 111.8 | ||||
| 731 | K | 22.3 | Very low | 24.2 | Very low | 197 Ų | 197 | 146.5 Ų | 146.5 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -137.9 | 99.4 | 144.4 | -78.8 | -171.6 | -179.5 | 164.4 | 0 | 109.8 | Q729 K733 | Q729-K731 PolarHBondContact O-N 3.06Å; K731-K733 PolarHBondContact O-N 2.79Å | ||
| 732 | Q | 17.9 | Very low | 24.3 | Very low | 189 Ų | 189 | 146.3 Ų | 146.3 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -49.2 | 127.9 | 153.8 | -66.2 | 168.4 | -11.3 | 0 | 0 | 109.1 | ||||
| 733 | K | 21.8 | Very low | 24.7 | Very low | 197 Ų | 197 | 146.4 Ų | 146.4 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -156.4 | 102.8 | 151.3 | -108.2 | 172.9 | -172.3 | -169.7 | 0 | 110.4 | K731 | K731-K733 PolarHBondContact O-N 2.79Š| ||
| 734 | Q | 19.7 | Very low | 25.5 | Very low | 179 Ų | 179 | 147.2 Ų | 147.2 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | 16.8 | 113.6 | 150.3 | -78.1 | 163.6 | -32.3 | 0 | 0 | 118.8 | V736 | Q734-V736 PolarHBondContact O-N 3.29Š| ||
| 735 | S | 21.1 | Very low | 27.8 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -54.1 | 117.4 | 152.9 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 736 | V | 22.3 | Very low | 30.6 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | trans | -94.6 | 108 | 164.3 | 176.9 | 0 | 0 | 0 | 0 | 106 | Q734 G738 | Q734-V736 PolarHBondContact O-N 3.29Å; V736-G738 PolarHBondContact O-N 3.47Å | ||
| 737 | V | 22.7 | Very low | 33.5 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -67.7 | 96.8 | 169.8 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 738 | G | 23.8 | Very low | 36.5 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 72% | 0.72 | S | S | * | * | trans | -81 | 114.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V736 V740 | V736-G738 PolarHBondContact O-N 3.47Å; G738-V740 PolarHBondContact O-N 3.23Å | ||
| 739 | S | 24.5 | Very low | 39.7 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | -61.1 | 123.9 | 171.6 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | T741 | S739-T741 PolarHBondContact O-N 2.72Š| ||
| 740 | V | 26.7 | Very low | 42.9 | Very low | 124 Ų | 124 | 114.4 Ų | 114.4 | 75% | 0.752 | 64% | 0.639 | S | S | * | * | trans | -70.7 | 98.6 | -179.1 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | G738 | G738-V740 PolarHBondContact O-N 3.23Š| ||
| 741 | T | 27.6 | Very low | 46.1 | Very low | 96 Ų | 96 | 113.2 Ų | 113.2 | 59% | 0.589 | 63% | 0.629 | S | S | * | * | trans | -84.6 | 158.3 | 164.3 | 45.5 | 0 | 0 | 0 | 0 | 110.1 | S739 T743 | S739-T741 PolarHBondContact O-N 2.72Å; T741-T743 PolarHBondContact O-N 2.65Å | ||
| 742 | S | 42 | Very low | 49.2 | Very low | 104 Ų | 104 | 109.3 Ų | 109.3 | 73% | 0.727 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 30.2 | -163.9 | 56.5 | 0 | 0 | 0 | 0 | 118.2 | ||
| 743 | T | 39.7 | Very low | 52.6 | Low | 112 Ų | 112 | 100.3 Ų | 100.3 | 69% | 0.687 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.9 | -2.2 | -177.4 | 49.1 | 0 | 0 | 0 | 0 | 115.1 | T741 | T741-T743 PolarHBondContact O-N 2.65Š|
| 744 | D | 50.4 | Low | 55.8 | Low | 135 Ų | 135 | 94.4 Ų | 94.4 | 72% | 0.722 | 55% | 0.55 | S | S | * | * | trans | -109 | 59.3 | 178.2 | -65.4 | -26.1 | 0 | 0 | 0 | 112.1 | ||||
| 745 | I | 72.7 | Confident | 58.9 | Low | 51 Ų | 51 | 90.1 Ų | 90.1 | 26% | 0.262 | 55% | 0.546 | S | S | . | . | trans | -99.7 | 128.3 | 164.9 | -56.8 | 177.6 | 0 | 0 | 0 | 107.1 | E747 V750 I764 L767 Q768 | I745-E747 PolarHBondContact O-N 2.84Å; I745-V750 HydrophobicContact CG2-CG2 3.6Å; I745-I764 HydrophobicContact CD1-CB 4.35Å; I745-I764 HydrophobicContact CD1-CG1 4.25Å; I745-I764 HydrophobicContact CD1-CG2 3.67Å; I745-L767 HydrophobicContact CG2-CD1 4.03Å; I745-Q768 HydrophobicContact CD1-CG 4.02Å | ||
| 746 | D | 81.4 | Confident | 62 | Low | 97 Ų | 97 | 89.4 Ų | 89.4 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | trans | -61.4 | 108.8 | 173.6 | -178.7 | 6.1 | 0 | 0 | 0 | 110 | N748 A749 V750 | D746-N748 PolarHBondContact O-N 3.19Å; D746-N748 WeakPolarHBondContact OD1-CB 3.28Å; D746-N748 PolarHBondContact OD1-N 2.9Å; D746-A749 HydrophobicContact CB-CB 4.02Å; D746-A749 WeakPolarHBondContact O-CB 3.25Å; D746-A749 PolarHBondContact O-N 3.28Å; D746-A749 VanDerWaalsContact O-N 3.09Å; D746-V750 PolarHBondContact O-N 3.31Å; D746-V750 VanDerWaalsContact O-N 3.15Å | ||
| 747 | E | 84.8 | Confident | 64.9 | Low | 111 Ų | 111 | 86.4 Ų | 86.4 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -27.8 | 177.7 | -79.9 | -76 | -176.9 | 0 | 0 | 111.8 | I745 V750 E751 R760 | I745-E747 PolarHBondContact O-N 2.84Å; E747-V750 PolarHBondContact O-N 2.7Å; E747-E751 WeakPolarHBondContact O-CB 3.47Å; E747-E751 PolarHBondContact O-N 2.82Å; E747-R760 IonicContact OE1-CZ 2.71Å; E747-R760 IonicContact OE1-NH2 3.52Å; E747-R760 PolarHBondContact OE1-NH2 2.87Å; E747-R760 IonicContact OE2-NH2 3.09Å; E747-R760 PolarHBondContact OE2-NH2 3.03Å |
| 748 | N | 84.6 | Confident | 68.1 | Low | 98 Ų | 98 | 81.1 Ų | 81.1 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 174.6 | -67.6 | -29.5 | 0 | 0 | 0 | 111.2 | D746 V750 E751 M752 | D746-N748 PolarHBondContact O-N 3.19Å; D746-N748 WeakPolarHBondContact OD1-CB 3.28Å; D746-N748 PolarHBondContact OD1-N 2.9Å; N748-V750 VanDerWaalsContact C-N 3.33Å; N748-E751 PolarHBondContact O-N 2.94Å; N748-M752 WeakPolarHBondContact O-CG 3.45Å; N748-M752 PolarHBondContact O-N 2.84Å |
| 749 | A | 85.8 | Confident | 71.2 | Confident | 7 Ų | 7 | 80.9 Ų | 80.9 | 6% | 0.058 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -67 | -36 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D746 M752 M753 L767 L774 | D746-A749 HydrophobicContact CB-CB 4.02Å; D746-A749 WeakPolarHBondContact O-CB 3.25Å; D746-A749 PolarHBondContact O-N 3.28Å; D746-A749 VanDerWaalsContact O-N 3.09Å; A749-M752 PolarHBondContact O-N 3.47Å; A749-M753 WeakPolarHBondContact O-CG 3.25Å; A749-M753 PolarHBondContact O-N 3.49Å; A749-L767 HydrophobicContact CB-CD1 3.96Å; A749-L767 HydrophobicContact CB-CD2 4.08Å; A749-L774 HydrophobicContact CB-CD1 4.49Å |
| 750 | V | 89.1 | Confident | 74.1 | Confident | 2 Ų | 2 | 81.6 Ų | 81.6 | 1% | 0.012 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 172.8 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | I745 D746 E747 N748 M752 M753 L754 R760 I764 L767 | I745-V750 HydrophobicContact CG2-CG2 3.6Å; D746-V750 PolarHBondContact O-N 3.31Å; D746-V750 VanDerWaalsContact O-N 3.15Å; E747-V750 PolarHBondContact O-N 2.7Å; N748-V750 VanDerWaalsContact C-N 3.33Å; V750-M752 VanDerWaalsContact C-N 3.34Å; V750-M752 PolarHBondContact O-N 2.9Å; V750-M753 PolarHBondContact O-N 2.72Å; V750-L754 HydrophobicContact CG1-CD1 4.2Å; V750-L754 HydrophobicContact CG1-CG 4.45Å; V750-L754 VanDerWaalsContact O-CG 3.3Å; V750-L754 WeakPolarHBondContact O-CG 3.09Å; V750-L754 PolarHBondContact O-N 3.4Å; V750-R760 HydrophobicContact CG1-CG 4.01Å; V750-I764 HydrophobicContact CG2-CG1 4.43Å; V750-L767 HydrophobicContact CG2-CD1 3.73Å |
| 751 | E | 87.2 | Confident | 76.9 | Confident | 132 Ų | 132 | 79.2 Ų | 79.2 | 62% | 0.617 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.6 | -37.5 | 177.9 | -167.6 | 169.5 | -163 | 0 | 0 | 112.4 | E747 N748 L754 A755 | E747-E751 WeakPolarHBondContact O-CB 3.47Å; E747-E751 PolarHBondContact O-N 2.82Å; N748-E751 PolarHBondContact O-N 2.94Å; E751-L754 WeakPolarHBondContact O-CB 3.34Å; E751-L754 PolarHBondContact O-N 2.96Å; E751-A755 WeakPolarHBondContact O-CB 3.42Å; E751-A755 PolarHBondContact O-N 3.07Å |
| 752 | M | 88.4 | Confident | 79.9 | Confident | 114 Ų | 114 | 77.6 Ų | 77.6 | 56% | 0.562 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.4 | -40.6 | 174 | -70 | -178 | -168.1 | 0 | 0 | 112.8 | N748 A749 V750 A755 M756 L774 | N748-M752 WeakPolarHBondContact O-CG 3.45Å; N748-M752 PolarHBondContact O-N 2.84Å; A749-M752 PolarHBondContact O-N 3.47Å; V750-M752 VanDerWaalsContact C-N 3.34Å; V750-M752 PolarHBondContact O-N 2.9Å; M752-A755 PolarHBondContact O-N 3.35Å; M752-M756 PolarHBondContact O-N 3.17Å; M752-M756 VanDerWaalsContact O-N 3.09Å; M752-L774 HydrophobicContact CB-CD1 4.13Å; M752-L774 HydrophobicContact CB-CD2 3.82Å; M752-L774 HydrophobicContact CG-CD2 4.26Å; M752-L774 HydrophobicContact SD-CD2 3.42Å; M752-L774 WeakPolarHBondContact SD-CD2 3.44Å |
| 753 | M | 89 | Confident | 82.2 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 173.5 | -73.3 | -70.1 | -74.6 | 0 | 0 | 112 | A749 V750 A755 M756 G757 F758 S763 A766 L774 A778 A781 | A749-M753 WeakPolarHBondContact O-CG 3.25Å; A749-M753 PolarHBondContact O-N 3.49Å; V750-M753 PolarHBondContact O-N 2.72Å; M753-A755 VanDerWaalsContact C-N 3.34Å; M753-M756 PolarHBondContact O-N 2.77Å; M753-M756 HydrophobicContact SD-CE 3.49Å; M753-M756 WeakPolarHBondContact SD-CE 3.09Å; M753-G757 PolarHBondContact O-N 3.19Å; M753-F758 HydrophobicContact CB-CB 4.49Å; M753-F758 HydrophobicContact CB-CD2 4.47Å; M753-F758 HydrophobicContact CE-CB 4.34Å; M753-F758 HydrophobicContact CE-CD1 4.4Å; M753-F758 HydrophobicContact CE-CD2 3.5Å; M753-F758 HydrophobicContact CE-CE2 3.88Å; M753-F758 HydrophobicContact CE-CG 3.8Å; M753-F758 HydrophobicContact CE-CZ 4.44Å; M753-F758 WeakPolarHBondContact O-CD2 2.8Å; M753-F758 PolarHBondContact O-N 2.71Å; M753-F758 VanDerWaalsContact O-N 3.12Å; M753-F758 HydrophobicContact SD-CD2 4.05Å; M753-F758 HydrophobicContact SD-CE2 4.35Å; M753-S763 WeakPolarHBondContact CB-OG 3.46Å; M753-A766 HydrophobicContact CE-CB 4.15Å; M753-L774 HydrophobicContact CG-CD1 3.5Å; M753-L774 HydrophobicContact SD-CD1 3.8Å; M753-A778 HydrophobicContact SD-CB 3.93Å; M753-A781 HydrophobicContact CE-CB 4.25Å |
| 754 | L | 89.2 | Confident | 84.6 | Confident | 73 Ų | 73 | 68.6 Ų | 68.6 | 38% | 0.382 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 173 | -74 | 173 | 0 | 0 | 0 | 111.3 | V750 E751 M756 G757 F758 R760 | V750-L754 HydrophobicContact CG1-CD1 4.2Å; V750-L754 HydrophobicContact CG1-CG 4.45Å; V750-L754 VanDerWaalsContact O-CG 3.3Å; V750-L754 WeakPolarHBondContact O-CG 3.09Å; V750-L754 PolarHBondContact O-N 3.4Å; E751-L754 WeakPolarHBondContact O-CB 3.34Å; E751-L754 PolarHBondContact O-N 2.96Å; L754-M756 PolarHBondContact O-N 3.43Å; L754-G757 PolarHBondContact O-N 3.46Å; L754-F758 VanDerWaalsContact CD2-O 3.26Å; L754-F758 WeakPolarHBondContact CD2-O 3.46Å; L754-R760 HydrophobicContact CD2-CB 3.99Å; L754-R760 VanDerWaalsContact CD2-N 3.34Å |
| 755 | A | 83.3 | Confident | 86.4 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 74% | 0.744 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.7 | -28.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | E751 M752 M753 G757 | E751-A755 WeakPolarHBondContact O-CB 3.42Å; E751-A755 PolarHBondContact O-N 3.07Å; M752-A755 PolarHBondContact O-N 3.35Å; M753-A755 VanDerWaalsContact C-N 3.34Å; A755-G757 VanDerWaalsContact C-N 3.26Å |
| 756 | M | 86.4 | Confident | 87.1 | Confident | 97 Ų | 97 | 60.3 Ų | 60.3 | 48% | 0.478 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -5.4 | 174.3 | -168.6 | 159.1 | 55.9 | 0 | 0 | 113.5 | M752 M753 L754 F758 A778 | M752-M756 PolarHBondContact O-N 3.17Å; M752-M756 VanDerWaalsContact O-N 3.09Å; M753-M756 PolarHBondContact O-N 2.77Å; M753-M756 HydrophobicContact SD-CE 3.49Å; M753-M756 WeakPolarHBondContact SD-CE 3.09Å; L754-M756 PolarHBondContact O-N 3.43Å; M756-F758 HydrophobicContact CB-CD2 4.24Å; M756-F758 HydrophobicContact CB-CE2 4.35Å; M756-F758 HydrophobicContact CE-CD2 3.95Å; M756-F758 HydrophobicContact CE-CE2 3.48Å; M756-F758 VanDerWaalsContact CE-CE2 3.48Å; M756-F758 HydrophobicContact CG-CD2 4.38Å; M756-F758 HydrophobicContact CG-CE2 3.99Å; M756-F758 HydrophobicContact SD-CE2 4.34Å; M756-A778 HydrophobicContact CE-CB 3.2Å; M756-A778 HydrophobicContact SD-CB 4.31Å |
| 757 | G | 83.9 | Confident | 87.5 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 69% | 0.691 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.1 | 5.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | M753 L754 A755 | M753-G757 PolarHBondContact O-N 3.19Å; L754-G757 PolarHBondContact O-N 3.46Å; A755-G757 VanDerWaalsContact C-N 3.26Å |
| 758 | F | 90 | Very high | 87.6 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | trans | -77.6 | 148.5 | 172.3 | -64.1 | -78.5 | 0 | 0 | 0 | 110.8 | M753 L754 M756 Q762 A781 L782 | M753-F758 HydrophobicContact CB-CB 4.49Å; M753-F758 HydrophobicContact CB-CD2 4.47Å; M753-F758 HydrophobicContact CE-CB 4.34Å; M753-F758 HydrophobicContact CE-CD1 4.4Å; M753-F758 HydrophobicContact CE-CD2 3.5Å; M753-F758 HydrophobicContact CE-CE2 3.88Å; M753-F758 HydrophobicContact CE-CG 3.8Å; M753-F758 HydrophobicContact CE-CZ 4.44Å; M753-F758 WeakPolarHBondContact O-CD2 2.8Å; M753-F758 PolarHBondContact O-N 2.71Å; M753-F758 VanDerWaalsContact O-N 3.12Å; M753-F758 HydrophobicContact SD-CD2 4.05Å; M753-F758 HydrophobicContact SD-CE2 4.35Å; L754-F758 VanDerWaalsContact CD2-O 3.26Å; L754-F758 WeakPolarHBondContact CD2-O 3.46Å; M756-F758 HydrophobicContact CB-CD2 4.24Å; M756-F758 HydrophobicContact CB-CE2 4.35Å; M756-F758 HydrophobicContact CE-CD2 3.95Å; M756-F758 HydrophobicContact CE-CE2 3.48Å; M756-F758 VanDerWaalsContact CE-CE2 3.48Å; M756-F758 HydrophobicContact CG-CD2 4.38Å; M756-F758 HydrophobicContact CG-CE2 3.99Å; M756-F758 HydrophobicContact SD-CE2 4.34Å; F758-Q762 HydrophobicContact CB-CB 4.24Å; F758-Q762 HydrophobicContact CD1-CB 4.44Å; F758-A781 HydrophobicContact CD1-CB 4.11Å; F758-A781 HydrophobicContact CE1-CB 3.47Å; F758-A781 VanDerWaalsContact CE1-CB 3.47Å; F758-A781 HydrophobicContact CZ-CB 3.77Å; F758-L782 HydrophobicContact CE1-CD2 4.39Å; F758-L782 HydrophobicContact CZ-CD2 3.68Å; F758-L782 HydrophobicContact CZ-CG 3.86Å | ||
| 759 | S | 87.9 | Confident | 87.6 | Confident | 56 Ų | 56 | 54.9 Ų | 54.9 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | trans | -68.6 | 159.7 | 168.5 | 67.3 | 0 | 0 | 0 | 0 | 111.1 | Q761 Q762 S763 | S759-Q761 PolarHBondContact O-N 3.24Å; S759-Q762 PolarHBondContact O-N 3.31Å; S759-Q762 WeakPolarHBondContact OG-CB 2.93Å; S759-Q762 VanDerWaalsContact OG-CD 3.27Å; S759-Q762 VanDerWaalsContact OG-CG 3.26Å; S759-Q762 WeakPolarHBondContact OG-CG 3.4Å; S759-Q762 PolarHBondContact OG-N 3.36Å; S759-Q762 PolarHBondContact OG-OE1 3.13Å; S759-S763 WeakPolarHBondContact O-CB 3.43Å; S759-S763 PolarHBondContact O-N 3.36Å; S759-S763 PolarHBondContact O-OG 2.69Å | ||
| 760 | R | 86.6 | Confident | 87.7 | Confident | 123 Ų | 123 | 57.4 Ų | 57.4 | 46% | 0.464 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.1 | -37.7 | 178.9 | -164.2 | 172.8 | -173.3 | -87.5 | -2.1 | 112 | E747 V750 L754 S763 I764 | E747-R760 IonicContact OE1-CZ 2.71Å; E747-R760 IonicContact OE1-NH2 3.52Å; E747-R760 PolarHBondContact OE1-NH2 2.87Å; E747-R760 IonicContact OE2-NH2 3.09Å; E747-R760 PolarHBondContact OE2-NH2 3.03Å; V750-R760 HydrophobicContact CG1-CG 4.01Å; L754-R760 HydrophobicContact CD2-CB 3.99Å; L754-R760 VanDerWaalsContact CD2-N 3.34Å; R760-S763 PolarHBondContact O-N 3.09Å; R760-I764 HydrophobicContact CG-CD1 4.2Å; R760-I764 VanDerWaalsContact O-CG1 3.3Å; R760-I764 WeakPolarHBondContact O-CG1 3.41Å; R760-I764 PolarHBondContact O-N 3.2Å |
| 761 | Q | 85.8 | Confident | 87.3 | Confident | 75 Ų | 75 | 65.2 Ų | 65.2 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.4 | -44.5 | 179.9 | -159.2 | 72.4 | 2.2 | 0 | 0 | 111.9 | S759 S763 I764 V765 L792 | S759-Q761 PolarHBondContact O-N 3.24Å; Q761-S763 VanDerWaalsContact C-N 3.3Å; Q761-S763 PolarHBondContact O-N 3.39Å; Q761-I764 PolarHBondContact O-N 3.37Å; Q761-V765 WeakPolarHBondContact O-CG2 3.35Å; Q761-V765 PolarHBondContact O-N 2.95Å; Q761-L792 HydrophobicContact CB-CD2 3.94Å; Q761-L792 HydrophobicContact CG-CD2 3.46Å; Q761-L792 VanDerWaalsContact CG-CD2 3.46Å |
| 762 | Q | 89.9 | Confident | 87.1 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 29% | 0.285 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 172.7 | -78.5 | 165 | -31.2 | 0 | 0 | 111.5 | F758 S759 I764 V765 A766 L788 L792 | F758-Q762 HydrophobicContact CB-CB 4.24Å; F758-Q762 HydrophobicContact CD1-CB 4.44Å; S759-Q762 PolarHBondContact O-N 3.31Å; S759-Q762 WeakPolarHBondContact OG-CB 2.93Å; S759-Q762 VanDerWaalsContact OG-CD 3.27Å; S759-Q762 VanDerWaalsContact OG-CG 3.26Å; S759-Q762 WeakPolarHBondContact OG-CG 3.4Å; S759-Q762 PolarHBondContact OG-N 3.36Å; S759-Q762 PolarHBondContact OG-OE1 3.13Å; Q762-I764 PolarHBondContact O-N 3.37Å; Q762-V765 PolarHBondContact O-N 2.84Å; Q762-A766 VanDerWaalsContact O-CB 3.22Å; Q762-A766 WeakPolarHBondContact O-CB 3.17Å; Q762-A766 PolarHBondContact O-N 3.18Å; Q762-L788 HydrophobicContact CB-CD2 4.17Å; Q762-L788 HydrophobicContact CG-CD2 3.9Å; Q762-L788 HydrophobicContact CG-CG 4.28Å; Q762-L792 HydrophobicContact CG-CD1 3.56Å |
| 763 | S | 91 | Very high | 87 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 179.3 | -54 | 0 | 0 | 0 | 0 | 111.4 | M753 S759 R760 Q761 L767 | M753-S763 WeakPolarHBondContact CB-OG 3.46Å; S759-S763 WeakPolarHBondContact O-CB 3.43Å; S759-S763 PolarHBondContact O-N 3.36Å; S759-S763 PolarHBondContact O-OG 2.69Å; R760-S763 PolarHBondContact O-N 3.09Å; Q761-S763 VanDerWaalsContact C-N 3.3Å; Q761-S763 PolarHBondContact O-N 3.39Å; S763-L767 VanDerWaalsContact O-CB 3.28Å; S763-L767 WeakPolarHBondContact O-CB 3.48Å; S763-L767 WeakPolarHBondContact O-CD1 3.37Å; S763-L767 WeakPolarHBondContact O-CG 3.17Å; S763-L767 PolarHBondContact O-N 2.93Å |
| 764 | I | 89 | Confident | 86.9 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 14% | 0.144 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 177.5 | -72.8 | 166.6 | 0 | 0 | 0 | 111.4 | I745 V750 R760 Q761 Q762 L767 Q768 | I745-I764 HydrophobicContact CD1-CB 4.35Å; I745-I764 HydrophobicContact CD1-CG1 4.25Å; I745-I764 HydrophobicContact CD1-CG2 3.67Å; V750-I764 HydrophobicContact CG2-CG1 4.43Å; R760-I764 HydrophobicContact CG-CD1 4.2Å; R760-I764 VanDerWaalsContact O-CG1 3.3Å; R760-I764 WeakPolarHBondContact O-CG1 3.41Å; R760-I764 PolarHBondContact O-N 3.2Å; Q761-I764 PolarHBondContact O-N 3.37Å; Q762-I764 PolarHBondContact O-N 3.37Å; I764-L767 PolarHBondContact O-N 2.96Å; I764-Q768 WeakPolarHBondContact O-CB 3.42Å; I764-Q768 VanDerWaalsContact O-CG 3.25Å; I764-Q768 WeakPolarHBondContact O-CG 3.12Å; I764-Q768 PolarHBondContact O-N 3.46Å |
| 765 | V | 87.9 | Confident | 86.9 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | -179.2 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | Q761 Q762 Q768 H769 L788 L791 L792 | Q761-V765 WeakPolarHBondContact O-CG2 3.35Å; Q761-V765 PolarHBondContact O-N 2.95Å; Q762-V765 PolarHBondContact O-N 2.84Å; V765-Q768 PolarHBondContact O-N 3.06Å; V765-H769 VanDerWaalsContact O-CB 3.28Å; V765-H769 WeakPolarHBondContact O-CB 3.37Å; V765-H769 PolarHBondContact O-N 3.37Å; V765-L788 HydrophobicContact CB-CD1 4.19Å; V765-L788 HydrophobicContact CG1-CD1 3.92Å; V765-L791 HydrophobicContact CG1-CB 3.73Å; V765-L791 HydrophobicContact CG1-CD1 4.48Å; V765-L792 HydrophobicContact CB-CD2 4.28Å; V765-L792 HydrophobicContact CG2-CD2 3.72Å; V765-L792 HydrophobicContact CG2-CG 4.41Å |
| 766 | A | 87.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.9 | -44 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M753 Q762 H769 K770 A777 W780 A781 L788 | M753-A766 HydrophobicContact CE-CB 4.15Å; Q762-A766 VanDerWaalsContact O-CB 3.22Å; Q762-A766 WeakPolarHBondContact O-CB 3.17Å; Q762-A766 PolarHBondContact O-N 3.18Å; A766-H769 PolarHBondContact O-N 2.71Å; A766-K770 PolarHBondContact O-N 3.22Å; A766-A777 HydrophobicContact CB-CB 4.02Å; A766-W780 HydrophobicContact CB-CE3 4.09Å; A766-W780 HydrophobicContact CB-CZ3 4.01Å; A766-A781 HydrophobicContact CB-CB 4.19Å; A766-L788 HydrophobicContact CB-CD1 4.45Å |
| 767 | L | 90.5 | Very high | 87.1 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 175.9 | -72.9 | 168.2 | 0 | 0 | 0 | 111.5 | I745 A749 V750 S763 I764 K770 N771 G772 A777 | I745-L767 HydrophobicContact CG2-CD1 4.03Å; A749-L767 HydrophobicContact CB-CD1 3.96Å; A749-L767 HydrophobicContact CB-CD2 4.08Å; V750-L767 HydrophobicContact CG2-CD1 3.73Å; S763-L767 VanDerWaalsContact O-CB 3.28Å; S763-L767 WeakPolarHBondContact O-CB 3.48Å; S763-L767 WeakPolarHBondContact O-CD1 3.37Å; S763-L767 WeakPolarHBondContact O-CG 3.17Å; S763-L767 PolarHBondContact O-N 2.93Å; I764-L767 PolarHBondContact O-N 2.96Å; L767-K770 CarbonylContact O-C 3.6Å; L767-K770 PolarHBondContact O-N 3.32Å; L767-N771 PolarHBondContact O-N 3.15Å; L767-N771 VanDerWaalsContact O-N 3.07Å; L767-G772 PolarHBondContact O-N 2.93Å; L767-A777 HydrophobicContact CD2-CB 3.87Å; L767-A777 HydrophobicContact CG-CB 4.26Å |
| 768 | Q | 87.2 | Confident | 87.3 | Confident | 104 Ų | 104 | 58.4 Ų | 58.4 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 174.2 | -76.1 | 177.1 | -10.4 | 0 | 0 | 111.8 | I745 I764 V765 K770 N771 | I745-Q768 HydrophobicContact CD1-CG 4.02Å; I764-Q768 WeakPolarHBondContact O-CB 3.42Å; I764-Q768 VanDerWaalsContact O-CG 3.25Å; I764-Q768 WeakPolarHBondContact O-CG 3.12Å; I764-Q768 PolarHBondContact O-N 3.46Å; V765-Q768 PolarHBondContact O-N 3.06Å; Q768-K770 VanDerWaalsContact C-N 3.26Å; Q768-K770 PolarHBondContact O-N 3.08Å; Q768-N771 PolarHBondContact O-N 3.48Å |
| 769 | H | 83.8 | Confident | 87.2 | Confident | 84 Ų | 84 | 62.6 Ų | 62.6 | 39% | 0.389 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.8 | -31 | -179.1 | -169.7 | -121.1 | 0 | 0 | 0 | 112.6 | V765 A766 W780 | V765-H769 VanDerWaalsContact O-CB 3.28Å; V765-H769 WeakPolarHBondContact O-CB 3.37Å; V765-H769 PolarHBondContact O-N 3.37Å; A766-H769 PolarHBondContact O-N 2.71Å; H769-W780 HydrophobicContact CB-CE3 4.44Å; H769-W780 HydrophobicContact CB-CH2 4.25Å; H769-W780 HydrophobicContact CB-CZ3 4.06Å; H769-W780 AromaticContact CE1-CE2 3.45Å; H769-W780 VanDerWaalsContact CE1-CE2 3.45Å; H769-W780 AromaticContact CE1-CZ2 3.49Å; H769-W780 VanDerWaalsContact CE1-CZ2 3.49Å; H769-W780 WeakPolarHBondContact CE1-CZ2 3.39Å; H769-W780 AromaticContact CE1-NE1 3.63Å; H769-W780 AromaticContact CG-CH2 4Å; H769-W780 AromaticContact ND1-CD2 3.47Å; H769-W780 AromaticContact ND1-CE2 3.19Å; H769-W780 AromaticContact ND1-CE3 3.76Å; H769-W780 AromaticContact ND1-CH2 3.6Å; H769-W780 AromaticContact ND1-CZ2 3.27Å; H769-W780 VanDerWaalsContact ND1-CZ2 3.27Å; H769-W780 WeakPolarHBondContact ND1-CZ2 3.14Å; H769-W780 AromaticContact ND1-CZ3 3.81Å; H769-W780 AromaticContact ND1-NE1 3.74Å |
| 770 | K | 87.7 | Confident | 87.3 | Confident | 60 Ų | 60 | 60.6 Ų | 60.6 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 26.5 | 178.7 | -58.2 | -57.4 | -173.3 | -170.2 | 0 | 113.9 | A766 L767 Q768 G772 N773 Q776 A777 W780 | A766-K770 PolarHBondContact O-N 3.22Å; L767-K770 CarbonylContact O-C 3.6Å; L767-K770 PolarHBondContact O-N 3.32Å; Q768-K770 VanDerWaalsContact C-N 3.26Å; Q768-K770 PolarHBondContact O-N 3.08Å; K770-G772 VanDerWaalsContact C-N 3.27Å; K770-G772 PolarHBondContact O-N 3.4Å; K770-N773 PolarHBondContact O-N 2.67Å; K770-N773 VanDerWaalsContact O-N 3.14Å; K770-Q776 HydrophobicContact CB-CB 4.07Å; K770-Q776 HydrophobicContact CG-CB 4.18Å; K770-A777 HydrophobicContact CB-CB 4.26Å; K770-A777 HydrophobicContact CG-CB 4.5Å; K770-W780 HydrophobicContact CD-CB 4.43Å; K770-W780 HydrophobicContact CG-CB 4.3Å |
| 771 | N | 82.3 | Confident | 87.3 | Confident | 166 Ų | 166 | 55 Ų | 55 | 89% | 0.888 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 36.2 | 170.7 | -114.5 | 7.2 | 0 | 0 | 0 | 114.5 | L767 Q768 | L767-N771 PolarHBondContact O-N 3.15Å; L767-N771 VanDerWaalsContact O-N 3.07Å; Q768-N771 PolarHBondContact O-N 3.48Å |
| 772 | G | 81.9 | Confident | 87.3 | Confident | 50 Ų | 50 | 56.9 Ų | 56.9 | 52% | 0.515 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 3.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L767 K770 L774 | L767-G772 PolarHBondContact O-N 2.93Å; K770-G772 VanDerWaalsContact C-N 3.27Å; K770-G772 PolarHBondContact O-N 3.4Å; G772-L774 PolarHBondContact O-N 3.47Å |
| 773 | N | 86.6 | Confident | 87.1 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | trans | -81.4 | 109 | 177.6 | -171.1 | -37.7 | 0 | 0 | 0 | 111.2 | K770 E775 Q776 A777 | K770-N773 PolarHBondContact O-N 2.67Å; K770-N773 VanDerWaalsContact O-N 3.14Å; N773-E775 PolarHBondContact O-N 2.85Å; N773-E775 PolarHBondContact OD1-N 3.39Å; N773-Q776 HydrophobicContact CB-CB 4.21Å; N773-Q776 HydrophobicContact CB-CG 4.4Å; N773-Q776 PolarHBondContact O-N 3.46Å; N773-Q776 PolarHBondContact OD1-N 3.38Å; N773-A777 WeakPolarHBondContact O-CB 3.2Å; N773-A777 PolarHBondContact O-N 3.4Å | ||
| 774 | L | 87.6 | Confident | 86.6 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.1 | -47.6 | -178.5 | 177.2 | 64.8 | 0 | 0 | 0 | 113.4 | A749 M752 M753 G772 A777 A778 | A749-L774 HydrophobicContact CB-CD1 4.49Å; M752-L774 HydrophobicContact CB-CD1 4.13Å; M752-L774 HydrophobicContact CB-CD2 3.82Å; M752-L774 HydrophobicContact CG-CD2 4.26Å; M752-L774 HydrophobicContact SD-CD2 3.42Å; M752-L774 WeakPolarHBondContact SD-CD2 3.44Å; M753-L774 HydrophobicContact CG-CD1 3.5Å; M753-L774 HydrophobicContact SD-CD1 3.8Å; G772-L774 PolarHBondContact O-N 3.47Å; L774-A777 PolarHBondContact O-N 3.03Å; L774-A778 VanDerWaalsContact O-CB 3.25Å; L774-A778 WeakPolarHBondContact O-CB 3.47Å; L774-A778 PolarHBondContact O-N 3.36Å |
| 775 | E | 87.7 | Confident | 86.2 | Confident | 161 Ų | 161 | 61.3 Ų | 61.3 | 75% | 0.752 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.6 | -43.2 | -175.9 | -68.8 | -179.3 | 174.2 | 0 | 0 | 111.4 | N773 A778 D779 | N773-E775 PolarHBondContact O-N 2.85Å; N773-E775 PolarHBondContact OD1-N 3.39Å; E775-A778 PolarHBondContact O-N 3.43Å; E775-D779 WeakPolarHBondContact O-CB 3.42Å; E775-D779 PolarHBondContact O-N 3.46Å |
| 776 | Q | 87.8 | Confident | 85.8 | Confident | 107 Ų | 107 | 66.7 Ų | 66.7 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -71 | -34.6 | 177.3 | -65.7 | -176.8 | 8.5 | 0 | 0 | 112.3 | K770 N773 W780 | K770-Q776 HydrophobicContact CB-CB 4.07Å; K770-Q776 HydrophobicContact CG-CB 4.18Å; N773-Q776 HydrophobicContact CB-CB 4.21Å; N773-Q776 HydrophobicContact CB-CG 4.4Å; N773-Q776 PolarHBondContact O-N 3.46Å; N773-Q776 PolarHBondContact OD1-N 3.38Å; Q776-W780 WeakPolarHBondContact O-CB 3.4Å; Q776-W780 PolarHBondContact O-N 2.81Å |
| 777 | A | 87.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A766 L767 K770 N773 L774 A781 | A766-A777 HydrophobicContact CB-CB 4.02Å; L767-A777 HydrophobicContact CD2-CB 3.87Å; L767-A777 HydrophobicContact CG-CB 4.26Å; K770-A777 HydrophobicContact CB-CB 4.26Å; K770-A777 HydrophobicContact CG-CB 4.5Å; N773-A777 WeakPolarHBondContact O-CB 3.2Å; N773-A777 PolarHBondContact O-N 3.4Å; L774-A777 PolarHBondContact O-N 3.03Å; A777-A781 WeakPolarHBondContact O-CB 3.5Å; A777-A781 PolarHBondContact O-N 3.03Å |
| 778 | A | 87.8 | Confident | 85.1 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 10% | 0.099 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.8 | -53.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M753 M756 L774 E775 W780 A781 L782 | M753-A778 HydrophobicContact SD-CB 3.93Å; M756-A778 HydrophobicContact CE-CB 3.2Å; M756-A778 HydrophobicContact SD-CB 4.31Å; L774-A778 VanDerWaalsContact O-CB 3.25Å; L774-A778 WeakPolarHBondContact O-CB 3.47Å; L774-A778 PolarHBondContact O-N 3.36Å; E775-A778 PolarHBondContact O-N 3.43Å; A778-W780 PolarHBondContact O-N 3.36Å; A778-A781 PolarHBondContact O-N 2.64Å; A778-L782 WeakPolarHBondContact O-CG 3.45Å; A778-L782 PolarHBondContact O-N 2.86Å |
| 779 | D | 88.5 | Confident | 84.8 | Confident | 113 Ų | 113 | 72 Ų | 72 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | -178.5 | -175.6 | 52.3 | 0 | 0 | 0 | 111.9 | E775 L782 S783 | E775-D779 WeakPolarHBondContact O-CB 3.42Å; E775-D779 PolarHBondContact O-N 3.46Å; D779-L782 PolarHBondContact O-N 3.13Å; D779-S783 VanDerWaalsContact O-CB 3.31Å; D779-S783 WeakPolarHBondContact O-CB 3.49Å; D779-S783 PolarHBondContact O-N 2.92Å; D779-S783 PolarHBondContact O-OG 3.14Å |
| 780 | W | 88.6 | Confident | 84.5 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 5% | 0.049 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 175.6 | 176.8 | 74.4 | 0 | 0 | 0 | 112.8 | A766 H769 K770 Q776 A778 L782 S783 S784 E787 L788 L791 | A766-W780 HydrophobicContact CB-CE3 4.09Å; A766-W780 HydrophobicContact CB-CZ3 4.01Å; H769-W780 HydrophobicContact CB-CE3 4.44Å; H769-W780 HydrophobicContact CB-CH2 4.25Å; H769-W780 HydrophobicContact CB-CZ3 4.06Å; H769-W780 AromaticContact CE1-CE2 3.45Å; H769-W780 VanDerWaalsContact CE1-CE2 3.45Å; H769-W780 AromaticContact CE1-CZ2 3.49Å; H769-W780 VanDerWaalsContact CE1-CZ2 3.49Å; H769-W780 WeakPolarHBondContact CE1-CZ2 3.39Å; H769-W780 AromaticContact CE1-NE1 3.63Å; H769-W780 AromaticContact CG-CH2 4Å; H769-W780 AromaticContact ND1-CD2 3.47Å; H769-W780 AromaticContact ND1-CE2 3.19Å; H769-W780 AromaticContact ND1-CE3 3.76Å; H769-W780 AromaticContact ND1-CH2 3.6Å; H769-W780 AromaticContact ND1-CZ2 3.27Å; H769-W780 VanDerWaalsContact ND1-CZ2 3.27Å; H769-W780 WeakPolarHBondContact ND1-CZ2 3.14Å; H769-W780 AromaticContact ND1-CZ3 3.81Å; H769-W780 AromaticContact ND1-NE1 3.74Å; K770-W780 HydrophobicContact CD-CB 4.43Å; K770-W780 HydrophobicContact CG-CB 4.3Å; Q776-W780 WeakPolarHBondContact O-CB 3.4Å; Q776-W780 PolarHBondContact O-N 2.81Å; A778-W780 PolarHBondContact O-N 3.36Å; W780-L782 PolarHBondContact O-N 3.46Å; W780-S783 WeakPolarHBondContact CA-OG 3.08Å; W780-S783 PolarHBondContact O-N 2.94Å; W780-S783 PolarHBondContact O-OG 3.48Å; W780-S784 WeakPolarHBondContact O-CB 3.16Å; W780-S784 PolarHBondContact O-N 3.27Å; W780-E787 HydrophobicContact CZ2-CB 4.12Å; W780-E787 HydrophobicContact CZ2-CG 4.01Å; W780-E787 PolarHBondContact NE1-OE2 3.11Å; W780-L788 HydrophobicContact CH2-CB 4.01Å; W780-L788 HydrophobicContact CH2-CD1 4.02Å; W780-L788 HydrophobicContact CZ3-CB 4.25Å; W780-L788 HydrophobicContact CZ3-CD1 3.73Å; W780-L791 HydrophobicContact CH2-CD1 3.56Å; W780-L791 HydrophobicContact CZ2-CD1 3.81Å |
| 781 | A | 86.6 | Confident | 84.2 | Confident | 5 Ų | 5 | 70.8 Ų | 70.8 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.8 | -30.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M753 F758 A766 A777 A778 L788 | M753-A781 HydrophobicContact CE-CB 4.25Å; F758-A781 HydrophobicContact CD1-CB 4.11Å; F758-A781 HydrophobicContact CE1-CB 3.47Å; F758-A781 VanDerWaalsContact CE1-CB 3.47Å; F758-A781 HydrophobicContact CZ-CB 3.77Å; A766-A781 HydrophobicContact CB-CB 4.19Å; A777-A781 WeakPolarHBondContact O-CB 3.5Å; A777-A781 PolarHBondContact O-N 3.03Å; A778-A781 PolarHBondContact O-N 2.64Å; A781-L788 HydrophobicContact CB-CD2 3.9Å |
| 782 | L | 86.8 | Confident | 84.2 | Confident | 116 Ų | 116 | 64 Ų | 64 | 61% | 0.607 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -80.5 | -41.7 | 174.2 | -68.4 | 173.9 | 0 | 0 | 0 | 112.9 | F758 A778 D779 W780 | F758-L782 HydrophobicContact CE1-CD2 4.39Å; F758-L782 HydrophobicContact CZ-CD2 3.68Å; F758-L782 HydrophobicContact CZ-CG 3.86Å; A778-L782 WeakPolarHBondContact O-CG 3.45Å; A778-L782 PolarHBondContact O-N 2.86Å; D779-L782 PolarHBondContact O-N 3.13Å; W780-L782 PolarHBondContact O-N 3.46Å |
| 783 | S | 84.5 | Confident | 84 | Confident | 76 Ų | 76 | 66 Ų | 66 | 53% | 0.531 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -81.7 | -22.1 | -175.2 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | D779 W780 P785 | D779-S783 VanDerWaalsContact O-CB 3.31Å; D779-S783 WeakPolarHBondContact O-CB 3.49Å; D779-S783 PolarHBondContact O-N 2.92Å; D779-S783 PolarHBondContact O-OG 3.14Å; W780-S783 WeakPolarHBondContact CA-OG 3.08Å; W780-S783 PolarHBondContact O-N 2.94Å; W780-S783 PolarHBondContact O-OG 3.48Å; S783-P785 VanDerWaalsContact C-CD 3.46Å |
| 784 | S | 82.1 | Confident | 83.3 | Confident | 34 Ų | 34 | 68.6 Ų | 68.6 | 24% | 0.238 | 36% | 0.363 | C | S | . | . | trans | -130.6 | 55.8 | -175.3 | -53.1 | 0 | 0 | 0 | 0 | 112.8 | W780 D786 E787 L788 | W780-S784 WeakPolarHBondContact O-CB 3.16Å; W780-S784 PolarHBondContact O-N 3.27Å; S784-D786 VanDerWaalsContact C-N 3.34Å; S784-D786 PolarHBondContact O-N 2.77Å; S784-E787 PolarHBondContact O-N 2.71Å; S784-L788 PolarHBondContact O-N 3.41Å; S784-L788 VanDerWaalsContact O-N 3.07Å | ||
| 785 | P | 80.7 | Confident | 82.3 | Confident | 72 Ų | 72 | 67.7 Ų | 67.7 | 47% | 0.468 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62 | -37.6 | -174.9 | 24.8 | -33.6 | 0 | 0 | 0 | 113.2 | S783 E787 L788 E789 | S783-P785 VanDerWaalsContact C-CD 3.46Å; P785-E787 PolarHBondContact O-N 2.92Å; P785-L788 WeakPolarHBondContact O-CB 3.28Å; P785-L788 PolarHBondContact O-N 2.89Å; P785-E789 PolarHBondContact O-N 2.96Å |
| 786 | D | 78.4 | Confident | 81 | Confident | 124 Ų | 124 | 65.5 Ų | 65.5 | 66% | 0.663 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.2 | -37.4 | 178.5 | -63.4 | -14.4 | 0 | 0 | 0 | 112.1 | S784 E789 T790 | S784-D786 VanDerWaalsContact C-N 3.34Å; S784-D786 PolarHBondContact O-N 2.77Å; D786-E789 PolarHBondContact O-N 3.22Å; D786-T790 WeakPolarHBondContact O-CB 3.49Å; D786-T790 PolarHBondContact O-N 2.89Å; D786-T790 PolarHBondContact O-OG1 2.82Å |
| 787 | E | 79 | Confident | 79.4 | Confident | 97 Ų | 97 | 65.1 Ų | 65.1 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -71 | -39 | 178.6 | -163.2 | 176.8 | -149.5 | 0 | 0 | 110.6 | W780 S784 P785 T790 L791 | W780-E787 HydrophobicContact CZ2-CB 4.12Å; W780-E787 HydrophobicContact CZ2-CG 4.01Å; W780-E787 PolarHBondContact NE1-OE2 3.11Å; S784-E787 PolarHBondContact O-N 2.71Å; P785-E787 PolarHBondContact O-N 2.92Å; E787-T790 PolarHBondContact O-N 3.34Å; E787-L791 WeakPolarHBondContact O-CB 3.49Å; E787-L791 WeakPolarHBondContact O-CG 3.36Å; E787-L791 PolarHBondContact O-N 2.98Å |
| 788 | L | 83.6 | Confident | 77.2 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 171.2 | 178.3 | 64.1 | 0 | 0 | 0 | 111.7 | Q762 V765 A766 W780 A781 S784 P785 T790 L791 L792 | Q762-L788 HydrophobicContact CB-CD2 4.17Å; Q762-L788 HydrophobicContact CG-CD2 3.9Å; Q762-L788 HydrophobicContact CG-CG 4.28Å; V765-L788 HydrophobicContact CB-CD1 4.19Å; V765-L788 HydrophobicContact CG1-CD1 3.92Å; A766-L788 HydrophobicContact CB-CD1 4.45Å; W780-L788 HydrophobicContact CH2-CB 4.01Å; W780-L788 HydrophobicContact CH2-CD1 4.02Å; W780-L788 HydrophobicContact CZ3-CB 4.25Å; W780-L788 HydrophobicContact CZ3-CD1 3.73Å; A781-L788 HydrophobicContact CB-CD2 3.9Å; S784-L788 PolarHBondContact O-N 3.41Å; S784-L788 VanDerWaalsContact O-N 3.07Å; P785-L788 WeakPolarHBondContact O-CB 3.28Å; P785-L788 PolarHBondContact O-N 2.89Å; L788-T790 VanDerWaalsContact C-N 3.35Å; L788-L791 PolarHBondContact O-N 3.47Å; L788-L792 HydrophobicContact CD1-CD1 4.44Å; L788-L792 HydrophobicContact CG-CD1 4.14Å; L788-L792 WeakPolarHBondContact O-CB 3.18Å; L788-L792 WeakPolarHBondContact O-CD1 3.49Å; L788-L792 WeakPolarHBondContact O-CG 3.46Å; L788-L792 PolarHBondContact O-N 2.84Å |
| 789 | E | 81 | Confident | 74.8 | Confident | 119 Ų | 119 | 77.1 Ų | 77.1 | 56% | 0.556 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | 175.3 | -173.1 | 171.9 | -170.2 | 0 | 0 | 111.6 | P785 D786 L791 L792 L793 | P785-E789 PolarHBondContact O-N 2.96Å; D786-E789 PolarHBondContact O-N 3.22Å; E789-L791 PolarHBondContact O-N 2.83Å; E789-L792 WeakPolarHBondContact O-CB 3.43Å; E789-L792 PolarHBondContact O-N 3.16Å; E789-L793 HydrophobicContact CG-CD1 4.46Å; E789-L793 WeakPolarHBondContact O-CG 3.01Å; E789-L793 PolarHBondContact O-N 2.9Å |
| 790 | T | 77.9 | Confident | 72.2 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 45% | 0.454 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.3 | -51.5 | 0 | 0 | 0 | 0 | 111.6 | D786 E787 L788 L793 Q794 | D786-T790 WeakPolarHBondContact O-CB 3.49Å; D786-T790 PolarHBondContact O-N 2.89Å; D786-T790 PolarHBondContact O-OG1 2.82Å; E787-T790 PolarHBondContact O-N 3.34Å; L788-T790 VanDerWaalsContact C-N 3.35Å; T790-L793 PolarHBondContact O-N 3.47Å; T790-Q794 WeakPolarHBondContact O-CG 3.38Å; T790-Q794 PolarHBondContact O-N 3.46Å |
| 791 | L | 81.3 | Confident | 69.2 | Low | 44 Ų | 44 | 82.1 Ų | 82.1 | 23% | 0.23 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -69.5 | -33.6 | 177.5 | -74.6 | 169.2 | 0 | 0 | 0 | 112.5 | V765 W780 E787 L788 E789 Q794 S795 | V765-L791 HydrophobicContact CG1-CB 3.73Å; V765-L791 HydrophobicContact CG1-CD1 4.48Å; W780-L791 HydrophobicContact CH2-CD1 3.56Å; W780-L791 HydrophobicContact CZ2-CD1 3.81Å; E787-L791 WeakPolarHBondContact O-CB 3.49Å; E787-L791 WeakPolarHBondContact O-CG 3.36Å; E787-L791 PolarHBondContact O-N 2.98Å; L788-L791 PolarHBondContact O-N 3.47Å; E789-L791 PolarHBondContact O-N 2.83Å; L791-Q794 PolarHBondContact O-N 3.49Å; L791-S795 WeakPolarHBondContact O-CB 3.32Å; L791-S795 PolarHBondContact O-N 3.11Å |
| 792 | L | 82.3 | Confident | 66.3 | Low | 24 Ų | 24 | 90.6 Ų | 90.6 | 13% | 0.126 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 172.5 | -75.1 | 164.4 | 0 | 0 | 0 | 111.2 | Q761 Q762 V765 L788 E789 Q794 S795 E796 | Q761-L792 HydrophobicContact CB-CD2 3.94Å; Q761-L792 HydrophobicContact CG-CD2 3.46Å; Q761-L792 VanDerWaalsContact CG-CD2 3.46Å; Q762-L792 HydrophobicContact CG-CD1 3.56Å; V765-L792 HydrophobicContact CB-CD2 4.28Å; V765-L792 HydrophobicContact CG2-CD2 3.72Å; V765-L792 HydrophobicContact CG2-CG 4.41Å; L788-L792 HydrophobicContact CD1-CD1 4.44Å; L788-L792 HydrophobicContact CG-CD1 4.14Å; L788-L792 WeakPolarHBondContact O-CB 3.18Å; L788-L792 WeakPolarHBondContact O-CD1 3.49Å; L788-L792 WeakPolarHBondContact O-CG 3.46Å; L788-L792 PolarHBondContact O-N 2.84Å; E789-L792 WeakPolarHBondContact O-CB 3.43Å; E789-L792 PolarHBondContact O-N 3.16Å; L792-Q794 VanDerWaalsContact C-N 3.29Å; L792-Q794 PolarHBondContact O-N 2.77Å; L792-S795 PolarHBondContact O-N 3.38Å; L792-S795 VanDerWaalsContact O-N 3.08Å; L792-S795 PolarHBondContact O-OG 3.09Å; L792-E796 PolarHBondContact O-N 3Å |
| 793 | L | 78.7 | Confident | 63.2 | Low | 92 Ų | 92 | 90 Ų | 90 | 48% | 0.482 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 176.1 | -68.1 | 170.6 | 0 | 0 | 0 | 111.7 | E789 T790 S795 E796 I797 | E789-L793 HydrophobicContact CG-CD1 4.46Å; E789-L793 WeakPolarHBondContact O-CG 3.01Å; E789-L793 PolarHBondContact O-N 2.9Å; T790-L793 PolarHBondContact O-N 3.47Å; L793-S795 PolarHBondContact O-N 2.96Å; L793-E796 PolarHBondContact O-N 3.37Å; L793-I797 WeakPolarHBondContact O-CD1 3.39Å; L793-I797 VanDerWaalsContact O-CG1 3.26Å; L793-I797 WeakPolarHBondContact O-CG1 3.47Å; L793-I797 PolarHBondContact O-N 3.5Å; L793-I797 VanDerWaalsContact O-N 3.12Å |
| 794 | Q | 72.3 | Confident | 60.3 | Low | 105 Ų | 105 | 92.3 Ų | 92.3 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 175 | -72.8 | 178.7 | 10.6 | 0 | 0 | 112.7 | T790 L791 L792 I797 N798 | T790-Q794 WeakPolarHBondContact O-CG 3.38Å; T790-Q794 PolarHBondContact O-N 3.46Å; L791-Q794 PolarHBondContact O-N 3.49Å; L792-Q794 VanDerWaalsContact C-N 3.29Å; L792-Q794 PolarHBondContact O-N 2.77Å; Q794-I797 PolarHBondContact O-N 2.9Å; Q794-N798 PolarHBondContact O-N 3.38Å; Q794-N798 VanDerWaalsContact O-N 3.09Å |
| 795 | S | 66.1 | Low | 57.4 | Low | 29 Ų | 29 | 95 Ų | 95 | 20% | 0.203 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 177.7 | 79.1 | 0 | 0 | 0 | 0 | 112.5 | L791 L792 L793 N798 M799 | L791-S795 WeakPolarHBondContact O-CB 3.32Å; L791-S795 PolarHBondContact O-N 3.11Å; L792-S795 PolarHBondContact O-N 3.38Å; L792-S795 VanDerWaalsContact O-N 3.08Å; L792-S795 PolarHBondContact O-OG 3.09Å; L793-S795 PolarHBondContact O-N 2.96Å; S795-N798 PolarHBondContact O-N 3.31Å; S795-M799 PolarHBondContact O-N 3.44Å; S795-M799 VanDerWaalsContact O-N 3.16Å |
| 796 | E | 60.5 | Low | 54.6 | Low | 115 Ų | 115 | 99.2 Ų | 99.2 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 176 | -71.3 | -177.6 | 175.2 | 0 | 0 | 111.9 | L792 L793 N798 M799 T800 | L792-E796 PolarHBondContact O-N 3Å; L793-E796 PolarHBondContact O-N 3.37Å; E796-N798 VanDerWaalsContact C-N 3.34Å; E796-N798 PolarHBondContact O-N 3.49Å; E796-M799 PolarHBondContact O-N 3.04Å; E796-T800 PolarHBondContact O-N 3.1Å |
| 797 | I | 52.6 | Low | 52 | Low | 99 Ų | 99 | 97.7 Ų | 97.7 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 174 | -66 | 164.4 | 0 | 0 | 0 | 110.8 | L793 Q794 M799 T800 N801 | L793-I797 WeakPolarHBondContact O-CD1 3.39Å; L793-I797 VanDerWaalsContact O-CG1 3.26Å; L793-I797 WeakPolarHBondContact O-CG1 3.47Å; L793-I797 PolarHBondContact O-N 3.5Å; L793-I797 VanDerWaalsContact O-N 3.12Å; Q794-I797 PolarHBondContact O-N 2.9Å; I797-M799 VanDerWaalsContact C-N 3.34Å; I797-M799 PolarHBondContact O-N 3.43Å; I797-T800 PolarHBondContact O-N 3.48Å; I797-T800 PolarHBondContact O-OG1 2.77Å; I797-N801 PolarHBondContact O-N 3.25Å |
| 798 | N | 41.7 | Very low | 49.3 | Very low | 122 Ų | 122 | 96.8 Ų | 96.8 | 65% | 0.652 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.8 | -25.3 | 178.1 | -78.8 | -17.1 | 0 | 0 | 0 | 113.9 | Q794 S795 E796 | Q794-N798 PolarHBondContact O-N 3.38Å; Q794-N798 VanDerWaalsContact O-N 3.09Å; S795-N798 PolarHBondContact O-N 3.31Å; E796-N798 VanDerWaalsContact C-N 3.34Å; E796-N798 PolarHBondContact O-N 3.49Å |
| 799 | M | 38.1 | Very low | 46.6 | Very low | 143 Ų | 143 | 104 Ų | 104 | 70% | 0.704 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.3 | -26.3 | 174.7 | -79.2 | -74.3 | -163.3 | 0 | 0 | 113.1 | S795 E796 I797 | S795-M799 PolarHBondContact O-N 3.44Å; S795-M799 VanDerWaalsContact O-N 3.16Å; E796-M799 PolarHBondContact O-N 3.04Å; I797-M799 VanDerWaalsContact C-N 3.34Å; I797-M799 PolarHBondContact O-N 3.43Å |
| 800 | T | 33.9 | Very low | 43.7 | Very low | 108 Ų | 108 | 106.3 Ų | 106.3 | 66% | 0.663 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -84.7 | -22.5 | 179.4 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | E796 I797 | E796-T800 PolarHBondContact O-N 3.1Å; I797-T800 PolarHBondContact O-N 3.48Å; I797-T800 PolarHBondContact O-OG1 2.77Å |
| 801 | N | 25.8 | Very low | 41.3 | Very low | 122 Ų | 122 | 107.7 Ų | 107.7 | 65% | 0.652 | 63% | 0.631 | S | S | * | * | trans | -111.6 | 56.3 | -177.8 | -76.6 | -25.8 | 0 | 0 | 0 | 113.5 | I797 S803 | I797-N801 PolarHBondContact O-N 3.25Å; N801-S803 PolarHBondContact O-N 3.47Å | ||
| 802 | K | 24.3 | Very low | 38.5 | Very low | 183 Ų | 183 | 110.6 Ų | 110.6 | 80% | 0.796 | 66% | 0.655 | S | S | * | * | trans | -83.7 | 69.1 | 155.1 | -84 | -174.4 | 177.6 | 173.9 | 0 | 110 | ||||
| 803 | S | 22.4 | Very low | 35.7 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -161.5 | 114.5 | 162.4 | -74.3 | 0 | 0 | 0 | 0 | 109.6 | N801 | N801-S803 PolarHBondContact O-N 3.47Š|
| 804 | S | 24.2 | Very low | 32.9 | Very low | 124 Ų | 124 | 120 Ų | 120 | 87% | 0.867 | 70% | 0.704 | S | S | * | * | trans | 99.1 | 108.4 | 170.4 | -42.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 805 | A | 21.4 | Very low | 30.5 | Very low | 91 Ų | 91 | 120.5 Ų | 120.5 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | -60.3 | 142.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 806 | D | 22.2 | Very low | 28.5 | Very low | 161 Ų | 161 | 123.9 Ų | 123.9 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | -177.8 | 149.1 | 101.1 | -118.5 | -21.5 | 0 | 0 | 0 | 113.2 | |||||
| 807 | A | 23.7 | Very low | 26.9 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | trans | 56.8 | 101.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 808 | G | 22.1 | Very low | 25.8 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | 88 | 101.7 | 106.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 809 | N | 25.2 | Very low | 25.7 | Very low | 156 Ų | 156 | 123.7 Ų | 123.7 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | -149.1 | 105.5 | 139.5 | -140.7 | -0.1 | 0 | 0 | 0 | 111 | S811 | N809-S811 PolarHBondContact O-N 2.97Š| ||
| 810 | N | 21.5 | Very low | 26.3 | Very low | 168 Ų | 168 | 119 Ų | 119 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | trans | -76.5 | 92.8 | 168.7 | -84.1 | -22.6 | 0 | 0 | 0 | 108.1 | ||||
| 811 | S | 26.1 | Very low | 27.5 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | -94 | 100.6 | 155.6 | 48.3 | 0 | 0 | 0 | 0 | 107.7 | N809 Q813 | N809-S811 PolarHBondContact O-N 2.97Å; S811-Q813 PolarHBondContact O-N 2.83Å | ||
| 812 | S | 24.2 | Very low | 29.6 | Very low | 105 Ų | 105 | 119 Ų | 119 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -44.8 | 108.4 | 169.1 | 35.6 | 0 | 0 | 0 | 0 | 110.9 | T814 | S812-T814 PolarHBondContact O-N 2.99Š| ||
| 813 | Q | 21.7 | Very low | 32.5 | Very low | 197 Ų | 197 | 112.1 Ų | 112.1 | 92% | 0.921 | 73% | 0.731 | S | S | * | * | trans | -63.1 | 84.6 | 163.5 | -72.1 | 178.1 | -9.4 | 0 | 0 | 108.3 | S811 S815 | S811-Q813 PolarHBondContact O-N 2.83Å; Q813-S815 PolarHBondContact O-N 2.9Å | ||
| 814 | T | 21.2 | Very low | 35.7 | Very low | 117 Ų | 117 | 108.5 Ų | 108.5 | 72% | 0.718 | 71% | 0.706 | S | S | * | * | trans | -67.4 | 111 | 150.4 | 46.9 | 0 | 0 | 0 | 0 | 105.5 | S812 S816 | S812-T814 PolarHBondContact O-N 2.99Å; T814-S816 PolarHBondContact O-N 2.71Å | ||
| 815 | S | 22.2 | Very low | 39 | Very low | 115 Ų | 115 | 106.3 Ų | 106.3 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -48.3 | 87.7 | 163.9 | 42.3 | 0 | 0 | 0 | 0 | 109.2 | Q813 S817 | Q813-S815 PolarHBondContact O-N 2.9Å; S815-S817 VanDerWaalsContact C-N 3.26Å; S815-S817 PolarHBondContact O-N 3.11Å | ||
| 816 | S | 24.2 | Very low | 42.3 | Very low | 100 Ų | 100 | 103.1 Ų | 103.1 | 70% | 0.699 | 66% | 0.66 | S | S | * | * | trans | -70.2 | 94.3 | 166.6 | 52.5 | 0 | 0 | 0 | 0 | 105.2 | T814 S818 | T814-S816 PolarHBondContact O-N 2.71Å; S816-S818 PolarHBondContact O-N 2.94Å | ||
| 817 | S | 26 | Very low | 45.8 | Very low | 103 Ų | 103 | 97.3 Ų | 97.3 | 72% | 0.72 | 63% | 0.632 | S | S | * | * | trans | -40.3 | 116.4 | 146.3 | 49.8 | 0 | 0 | 0 | 0 | 106.2 | S815 S819 | S815-S817 VanDerWaalsContact C-N 3.26Å; S815-S817 PolarHBondContact O-N 3.11Å; S817-S819 PolarHBondContact O-N 2.6Å | ||
| 818 | S | 29.6 | Very low | 49.2 | Very low | 119 Ų | 119 | 93.8 Ų | 93.8 | 83% | 0.832 | 60% | 0.602 | S | S | * | * | trans | -55.4 | 87.1 | -178.8 | 49.5 | 0 | 0 | 0 | 0 | 109.6 | S816 G820 | S816-S818 PolarHBondContact O-N 2.94Å; S818-G820 VanDerWaalsContact C-N 3.34Å; S818-G820 PolarHBondContact O-N 3.45Å | ||
| 819 | S | 38.8 | Very low | 52.8 | Low | 111 Ų | 111 | 95.4 Ų | 95.4 | 78% | 0.776 | 59% | 0.587 | S | S | * | * | trans | -72.9 | 97.9 | 167.2 | 54.6 | 0 | 0 | 0 | 0 | 105.2 | S817 | S817-S819 PolarHBondContact O-N 2.6Š| ||
| 820 | G | 51.4 | Low | 56.2 | Low | 45 Ų | 45 | 88 Ų | 88 | 46% | 0.464 | 55% | 0.547 | S | S | . | . | trans | -51.4 | 162.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S818 | S818-G820 VanDerWaalsContact C-N 3.34Å; S818-G820 PolarHBondContact O-N 3.45Å | ||
| 821 | P | 59.6 | Low | 59.8 | Low | 60 Ų | 60 | 80.7 Ų | 80.7 | 39% | 0.39 | 51% | 0.508 | S | S | . | . | trans | -52.4 | 145.4 | -179.5 | 21 | -30.9 | 0 | 0 | 0 | 110.8 | L823 | P821-L823 HydrophobicContact CG-CD2 4.37Å; P821-L823 WeakPolarHBondContact O-CG 3.27Å; P821-L823 PolarHBondContact O-N 2.77Å | ||
| 822 | L | 69.3 | Low | 63.2 | Low | 170 Ų | 170 | 76 Ų | 76 | 89% | 0.89 | 48% | 0.475 | S | S | * | . | trans | -60.8 | 96.7 | 176.9 | -175.2 | 75.8 | 0 | 0 | 0 | 109.2 | ||||
| 823 | L | 85.1 | Confident | 66.6 | Low | 37 Ų | 37 | 71 Ų | 71 | 19% | 0.194 | 44% | 0.44 | C | S | . | . | trans | -74.9 | 137.6 | 179.7 | -57.4 | 177.5 | 0 | 0 | 0 | 109.9 | R481 N588 P821 | R481-L823 HydrophobicContact CB-CD2 4Å; R481-L823 HydrophobicContact CG-CD2 4.11Å; N588-L823 WeakPolarHBondContact OD1-CD1 3.4Å; P821-L823 HydrophobicContact CG-CD2 4.37Å; P821-L823 WeakPolarHBondContact O-CG 3.27Å; P821-L823 PolarHBondContact O-N 2.77Å | ||
| 824 | S | 89.6 | Confident | 70.3 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 20% | 0.203 | 40% | 0.396 | C | S | . | . | trans | -68.2 | 139.5 | 169.9 | 61 | 0 | 0 | 0 | 0 | 110.2 | N588 F589 P590 N591 | N588-S824 PolarHBondContact ND2-O 2.61Å; F589-S824 CarbonylContact C-O 3.58Å; F589-S824 VanDerWaalsContact O-O 3.13Å; P590-S824 WeakPolarHBondContact CA-OG 3.23Å; N591-S824 PolarHBondContact N-OG 2.93Å; N591-S824 VanDerWaalsContact N-OG 3.12Å; N591-S824 WeakPolarHBondContact OD1-CB 3.43Å; N591-S824 PolarHBondContact OD1-OG 2.98Å | ||
| 825 | D | 92.7 | Very high | 73.9 | Confident | 78 Ų | 78 | 56 Ų | 56 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | trans | -136.6 | 141.1 | 171.1 | -164.6 | 23.9 | 0 | 0 | 0 | 109.8 | N588 F589 R637 | N588-D825 WeakPolarHBondContact CA-OD1 3.35Å; N588-D825 HydrophobicContact CB-CB 4.04Å; F589-D825 PolarHBondContact N-OD1 3.13Å; F589-D825 WeakPolarHBondContact O-CA 3.3Å; R637-D825 IonicContact CZ-OD1 2.85Å; R637-D825 IonicContact CZ-OD2 3.04Å; R637-D825 IonicContact NH1-OD1 2.67Å; R637-D825 IonicContact NH1-OD2 2.6Å; R637-D825 PolarHBondContact NH1-OD2 3.34Å; R637-D825 IonicContact NH2-OD1 3.15Å; R637-D825 PolarHBondContact NH2-OD1 3.39Å; R637-D825 IonicContact NH2-OD2 2.77Å; R637-D825 PolarHBondContact NH2-OD2 3.16Å | ||
| 826 | G | 92.5 | Very high | 77.5 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 24% | 0.237 | 32% | 0.324 | C | S | . | . | trans | -167.1 | -148.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R637 | R637-G826 PolarHBondContact NH2-O 2.98Š| ||
| 827 | S | 95.2 | Very high | 80.9 | Confident | 40 Ų | 40 | 45.8 Ų | 45.8 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | trans | -61.3 | 154.8 | -175.3 | 78.8 | 0 | 0 | 0 | 0 | 113.5 | F589 K829 R908 D910 | F589-S827 WeakPolarHBondContact CD2-O 3.41Å; S827-K829 PolarHBondContact O-N 3.33Å; S827-R908 WeakPolarHBondContact O-CD 3.4Å; S827-R908 VanDerWaalsContact O-CG 3.24Å; S827-R908 WeakPolarHBondContact O-CG 3.39Å; S827-D910 WeakPolarHBondContact CB-OD1 3.47Å; S827-D910 PolarHBondContact N-OD1 2.78Å; S827-D910 PolarHBondContact N-OD2 2.89Å; S827-D910 PolarHBondContact OG-OD1 3.16Å | ||
| 828 | S | 95.6 | Very high | 83.9 | Confident | 18 Ų | 18 | 41 Ų | 41 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -79.2 | -4.6 | 178.9 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | F589 D632 L633 | F589-S828 VanDerWaalsContact CE2-CB 3.48Å; D632-S828 WeakPolarHBondContact CA-O 3.07Å; D632-S828 VanDerWaalsContact OD1-CB 3.24Å; D632-S828 WeakPolarHBondContact OD1-CB 3.25Å; D632-S828 PolarHBondContact OD1-OG 2.99Å; L633-S828 PolarHBondContact N-O 3.3Å |
| 829 | K | 96.9 | Very high | 86.2 | Confident | 110 Ų | 110 | 35.4 Ų | 35.4 | 48% | 0.478 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.2 | -169.3 | -64.7 | -174.3 | 179.1 | -176.8 | 0 | 110.8 | S827 R908 L909 | S827-K829 PolarHBondContact O-N 3.33Å; K829-R908 WeakPolarHBondContact O-CA 3.47Å; K829-L909 HydrophobicContact CB-CD1 3.64Å; K829-L909 HydrophobicContact CB-CG 4.11Å; K829-L909 HydrophobicContact CD-CD1 4.35Å; K829-L909 PolarHBondContact O-N 2.92Å |
| 830 | Y | 97.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.2 | -176.1 | -74.2 | -102.8 | 0 | 0 | 0 | 110.9 | F589 P590 L593 F630 I631 L633 F906 R907 R908 | F589-Y830 WeakPolarHBondContact CA-OH 3.46Å; F589-Y830 HydrophobicContact CB-CE2 4.39Å; F589-Y830 VanDerWaalsContact CB-OH 3.29Å; F589-Y830 WeakPolarHBondContact CB-OH 3.26Å; P590-Y830 VanDerWaalsContact CD-OH 3.32Å; P590-Y830 WeakPolarHBondContact CD-OH 3.44Å; P590-Y830 WeakPolarHBondContact O-CE1 3.37Å; P590-Y830 PolarHBondContact O-OH 3.1Å; L593-Y830 HydrophobicContact CB-CD1 4.11Å; L593-Y830 HydrophobicContact CB-CE1 3.76Å; F630-Y830 CarbonylContact C-O 3.53Å; F630-Y830 WeakPolarHBondContact CA-O 3.18Å; F630-Y830 VanDerWaalsContact CB-O 3.3Å; F630-Y830 WeakPolarHBondContact CB-O 3.02Å; F630-Y830 WeakPolarHBondContact CD1-O 3.42Å; I631-Y830 PolarHBondContact N-O 2.79Å; I631-Y830 PolarHBondContact O-N 2.64Å; L633-Y830 HydrophobicContact CD1-CD2 3.91Å; L633-Y830 HydrophobicContact CD1-CE2 3.56Å; L633-Y830 HydrophobicContact CG-CD2 4.21Å; L633-Y830 HydrophobicContact CG-CE2 4.22Å; Y830-F906 HydrophobicContact CD1-CB 3.92Å; Y830-F906 HydrophobicContact CG-CB 4.25Å; Y830-R907 CarbonylContact C-O 3.35Å; Y830-R907 VanDerWaalsContact CA-O 3.24Å; Y830-R907 WeakPolarHBondContact CA-O 3.45Å; Y830-R907 VanDerWaalsContact CD1-C 3.46Å; Y830-R908 HydrophobicContact CD1-CB 3.98Å; Y830-R908 HydrophobicContact CD1-CG 4.31Å; Y830-R908 VanDerWaalsContact CD1-N 3.28Å; Y830-R908 HydrophobicContact CD2-CG 4.31Å; Y830-R908 HydrophobicContact CE1-CB 3.7Å; Y830-R908 HydrophobicContact CE1-CG 3.91Å; Y830-R908 HydrophobicContact CE2-CG 3.91Å; Y830-R908 HydrophobicContact CG-CG 4.49Å |
| 831 | E | 95.7 | Very high | 88.7 | Confident | 15 Ų | 15 | 34 Ų | 34 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 143.7 | 169.7 | 70 | -176.5 | 142.7 | 0 | 0 | 111.1 | W629 F630 K853 F906 R907 L909 | W629-E831 CarbonylContact O-C 3.54Å; W629-E831 WeakPolarHBondContact O-CA 3.28Å; F630-E831 HydrophobicContact CD1-CB 3.62Å; F630-E831 HydrophobicContact CE1-CB 3.53Å; E831-K853 IonicContact OE2-NZ 3.08Å; E831-F906 CarbonylContact O-C 3.58Å; E831-F906 WeakPolarHBondContact O-CA 3.31Å; E831-F906 WeakPolarHBondContact O-CB 3.42Å; E831-R907 HydrophobicContact CG-CB 4.31Å; E831-R907 PolarHBondContact N-O 3.24Å; E831-R907 PolarHBondContact O-N 3.09Å; E831-R907 IonicContact OE1-CZ 3.46Å; E831-R907 IonicContact OE1-NE 3.93Å; E831-R907 PolarHBondContact OE1-NE 2.83Å; E831-R907 IonicContact OE1-NH2 2.65Å; E831-R907 PolarHBondContact OE1-NH2 3.3Å; E831-L909 HydrophobicContact CB-CD2 3.78Å; E831-L909 HydrophobicContact CG-CD2 4.14Å |
| 832 | L | 97.6 | Very high | 89.1 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 126 | 172.1 | -174.1 | 71.8 | 0 | 0 | 0 | 109.2 | L617 W629 A834 F835 W882 H898 Y904 F906 | L617-L832 HydrophobicContact CD1-CD2 3.81Å; W629-L832 HydrophobicContact CB-CB 3.97Å; W629-L832 HydrophobicContact CB-CD2 4.22Å; W629-L832 HydrophobicContact CD2-CD2 4.48Å; W629-L832 HydrophobicContact CE3-CD2 4.11Å; W629-L832 PolarHBondContact O-N 3.13Å; L832-A834 WeakPolarHBondContact CD1-O 3.34Å; L832-F835 HydrophobicContact CD2-CD1 3.98Å; L832-W882 HydrophobicContact CD2-CH2 4.15Å; L832-W882 HydrophobicContact CG-CH2 4.08Å; L832-H898 HydrophobicContact CD2-CB 4.18Å; L832-Y904 HydrophobicContact CD1-CD1 3.8Å; L832-Y904 HydrophobicContact CD1-CG 4.43Å; L832-Y904 HydrophobicContact CD2-CD1 4.47Å; L832-F906 HydrophobicContact CB-CD1 3.93Å; L832-F906 HydrophobicContact CB-CE1 3.79Å; L832-F906 HydrophobicContact CD1-CD1 4.05Å; L832-F906 HydrophobicContact CD1-CE1 3.72Å; L832-F906 HydrophobicContact CD1-CE2 4.24Å; L832-F906 HydrophobicContact CD1-CG 4.4Å; L832-F906 HydrophobicContact CD1-CZ 3.82Å; L832-F906 HydrophobicContact CG-CE1 4.36Å |
| 833 | F | 96.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -24 | 176.2 | 77.7 | -84.9 | 0 | 0 | 0 | 113.7 | S352 I353 Y592 K853 F856 W882 F905 F906 R907 | S352-F833 WeakPolarHBondContact OG-CE2 3.5Å; I353-F833 HydrophobicContact CG1-CE2 4.38Å; I353-F833 HydrophobicContact CG1-CZ 4.06Å; Y592-F833 HydrophobicContact CD1-CD1 4.44Å; Y592-F833 AromaticContact CD1-CE1 3.62Å; Y592-F833 HydrophobicContact CD1-CE1 3.62Å; Y592-F833 AromaticContact CD1-CZ 3.77Å; Y592-F833 HydrophobicContact CD1-CZ 3.77Å; Y592-F833 HydrophobicContact CE1-CE1 4.16Å; Y592-F833 HydrophobicContact CE1-CZ 4.14Å; F833-K853 PolarHBondContact O-N 3.28Å; F833-F856 HydrophobicContact CB-CD1 3.77Å; F833-F856 HydrophobicContact CB-CD2 3.55Å; F833-F856 HydrophobicContact CB-CE1 3.56Å; F833-F856 HydrophobicContact CB-CE2 3.36Å; F833-F856 HydrophobicContact CB-CG 3.76Å; F833-F856 HydrophobicContact CB-CZ 3.35Å; F833-F856 HydrophobicContact CD1-CD1 4.47Å; F833-F856 HydrophobicContact CD1-CE1 4.13Å; F833-F856 HydrophobicContact CD2-CB 3.97Å; F833-F856 AromaticContact CD2-CD1 3.41Å; F833-F856 HydrophobicContact CD2-CD1 3.41Å; F833-F856 VanDerWaalsContact CD2-CD1 3.41Å; F833-F856 HydrophobicContact CD2-CD2 4.31Å; F833-F856 AromaticContact CD2-CE1 3.88Å; F833-F856 HydrophobicContact CD2-CE1 3.88Å; F833-F856 AromaticContact CD2-CG 3.64Å; F833-F856 HydrophobicContact CD2-CG 3.64Å; F833-F856 HydrophobicContact CE2-CD1 4.1Å; F833-F856 AromaticContact CG-CD1 3.63Å; F833-F856 HydrophobicContact CG-CD1 3.63Å; F833-F856 HydrophobicContact CG-CD2 4.28Å; F833-F856 AromaticContact CG-CE1 3.58Å; F833-F856 HydrophobicContact CG-CE1 3.58Å; F833-F856 HydrophobicContact CG-CE2 4.28Å; F833-F856 AromaticContact CG-CG 3.98Å; F833-F856 HydrophobicContact CG-CG 3.98Å; F833-F856 AromaticContact CG-CZ 3.94Å; F833-F856 HydrophobicContact CG-CZ 3.94Å; F833-W882 WeakPolarHBondContact O-CZ3 3.38Å; F833-F905 HydrophobicContact CD1-CB 4.35Å; F833-F905 WeakPolarHBondContact CD1-O 3.35Å; F833-F905 HydrophobicContact CE1-CB 3.61Å; F833-F905 WeakPolarHBondContact CE1-O 3.25Å; F833-F905 HydrophobicContact CE2-CB 4.46Å; F833-F905 HydrophobicContact CZ-CB 3.69Å; F833-F905 PolarHBondContact N-O 2.94Å; F833-F905 VanDerWaalsContact N-O 3.09Å; F833-F906 VanDerWaalsContact CD1-C 3.5Å; F833-F906 VanDerWaalsContact CE1-C 3.5Å; F833-R907 HydrophobicContact CD1-CB 4.1Å |
| 834 | A | 98.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 155.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V349 L832 H851 I852 F905 | V349-A834 HydrophobicContact CG1-CB 4.11Å; V349-A834 HydrophobicContact CG2-CB 4.14Å; L832-A834 WeakPolarHBondContact CD1-O 3.34Å; A834-H851 CarbonylContact C-O 3.51Å; A834-H851 WeakPolarHBondContact CA-O 3.36Å; A834-I852 HydrophobicContact CB-CB 4.38Å; A834-I852 HydrophobicContact CB-CG1 3.95Å; A834-I852 HydrophobicContact CB-CG2 4.28Å; A834-F905 HydrophobicContact CB-CB 4.07Å; A834-F905 PolarHBondContact N-O 3.18Å; A834-F905 WeakPolarHBondContact O-CA 3.38Å; A834-F905 WeakPolarHBondContact O-CB 3.48Å; A834-F905 PolarHBondContact O-N 2.8Å; A834-F905 VanDerWaalsContact O-O 3.13Å |
| 835 | F | 98.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 151.9 | 170.7 | 60.6 | -92.6 | 0 | 0 | 0 | 110.8 | L832 A850 H851 W882 P896 P897 H898 A901 L903 Y904 | L832-F835 HydrophobicContact CD2-CD1 3.98Å; F835-A850 WeakPolarHBondContact O-CA 3.37Å; F835-H851 HydrophobicContact CD1-CB 4.01Å; F835-H851 HydrophobicContact CD2-CB 4.03Å; F835-H851 HydrophobicContact CE1-CB 3.52Å; F835-H851 HydrophobicContact CE2-CB 3.55Å; F835-H851 AromaticContact CE2-CG 3.51Å; F835-H851 AromaticContact CE2-ND1 3.45Å; F835-H851 WeakPolarHBondContact CE2-ND1 3.32Å; F835-H851 HydrophobicContact CG-CB 4.25Å; F835-H851 HydrophobicContact CZ-CB 3.27Å; F835-H851 AromaticContact CZ-CD2 3.99Å; F835-H851 AromaticContact CZ-CG 3.44Å; F835-H851 VanDerWaalsContact CZ-CG 3.44Å; F835-H851 AromaticContact CZ-ND1 3.88Å; F835-H851 PolarHBondContact N-O 2.87Å; F835-H851 PolarHBondContact O-N 3.33Å; F835-W882 HydrophobicContact CD1-CE3 4.49Å; F835-W882 HydrophobicContact CD1-CH2 4.18Å; F835-W882 AromaticContact CD1-CZ3 3.73Å; F835-W882 HydrophobicContact CD1-CZ3 3.73Å; F835-W882 AromaticContact CE1-CE3 3.93Å; F835-W882 HydrophobicContact CE1-CE3 3.93Å; F835-W882 HydrophobicContact CE1-CH2 4.15Å; F835-W882 AromaticContact CE1-CZ3 3.58Å; F835-W882 HydrophobicContact CE1-CZ3 3.58Å; F835-P896 HydrophobicContact CE1-CB 4.09Å; F835-P896 HydrophobicContact CZ-CB 3.86Å; F835-P897 HydrophobicContact CE2-CG 4.35Å; F835-H898 HydrophobicContact CD1-CB 4.19Å; F835-H898 HydrophobicContact CE1-CB 3.86Å; F835-H898 HydrophobicContact CZ-CB 4.03Å; F835-A901 HydrophobicContact CB-CB 3.71Å; F835-A901 HydrophobicContact CD2-CB 3.65Å; F835-A901 HydrophobicContact CG-CB 3.99Å; F835-L903 CarbonylContact C-O 3.57Å; F835-L903 VanDerWaalsContact CA-O 3.24Å; F835-L903 WeakPolarHBondContact CA-O 3.39Å; F835-L903 WeakPolarHBondContact CB-O 3.36Å; F835-Y904 HydrophobicContact CB-CD1 4.39Å |
| 836 | I | 98 | Very high | 86 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 124.3 | 175.2 | -59.9 | 176.1 | 0 | 0 | 0 | 108 | A345 V346 V349 Y848 V849 A850 Y902 L903 F905 | A345-I836 HydrophobicContact CB-CD1 3.97Å; A345-I836 HydrophobicContact CB-CG1 4.19Å; A345-I836 HydrophobicContact CB-CG2 3.83Å; V346-I836 HydrophobicContact CG2-CD1 4.09Å; V349-I836 HydrophobicContact CG2-CD1 3.93Å; V349-I836 HydrophobicContact CG2-CG1 3.84Å; I836-Y848 HydrophobicContact CG2-CD1 3.76Å; I836-Y848 HydrophobicContact CG2-CG 4.44Å; I836-V849 WeakPolarHBondContact CA-O 3.33Å; I836-A850 HydrophobicContact CG1-CB 4.29Å; I836-Y902 PolarHBondContact O-N 2.94Å; I836-L903 HydrophobicContact CB-CB 4.23Å; I836-L903 HydrophobicContact CD1-CD1 4.29Å; I836-L903 PolarHBondContact N-O 3.21Å; I836-L903 PolarHBondContact O-N 2.67Å; I836-L903 VanDerWaalsContact O-N 3.09Å; I836-F905 HydrophobicContact CD1-CE2 3.87Å; I836-F905 HydrophobicContact CD1-CZ 4.2Å; I836-F905 HydrophobicContact CG1-CE2 3.96Å |
| 837 | S | 94 | Very high | 85.5 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 143 | 175.3 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | L316 Y848 V849 | L316-S837 VanDerWaalsContact CD2-CB 3.47Å; S837-Y848 WeakPolarHBondContact O-CA 3.29Å; S837-V849 PolarHBondContact N-O 3.19Å; S837-V849 PolarHBondContact O-N 3.07Å; S837-V849 VanDerWaalsContact O-N 3.07Å |
| 838 | H | 89.1 | Confident | 85.3 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 120.3 | 175.7 | 176.6 | -96.5 | 0 | 0 | 0 | 110.9 | F600 K610 S842 Y848 | F600-H838 AromaticContact CZ-CE1 3.89Å; F600-H838 AromaticContact CZ-ND1 3.5Å; K610-H838 PolarHBondContact NZ-O 3.46Å; H838-S842 PolarHBondContact CE1-O 3.47Å; H838-S842 PolarHBondContact NE2-O 3.22Å; H838-Y848 HydrophobicContact CB-CD1 3.88Å; H838-Y848 HydrophobicContact CB-CE1 3.62Å; H838-Y848 AromaticContact CD2-CD1 3.88Å; H838-Y848 AromaticContact CD2-CD2 3.95Å; H838-Y848 AromaticContact CD2-CE1 3.44Å; H838-Y848 VanDerWaalsContact CD2-CE1 3.44Å; H838-Y848 WeakPolarHBondContact CD2-CE1 3.08Å; H838-Y848 AromaticContact CD2-CE2 3.51Å; H838-Y848 AromaticContact CD2-CZ 3.24Å; H838-Y848 AromaticContact CG-CE1 3.8Å; H838-Y848 AromaticContact CG-CZ 3.97Å |
| 839 | M | 78.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 114 | 174.6 | -68.8 | 163.9 | -84.7 | 0 | 0 | 109.4 | W313 L316 Q317 G846 H847 V849 | W313-M839 HydrophobicContact CD2-SD 4.22Å; W313-M839 HydrophobicContact CG-SD 4.15Å; L316-M839 HydrophobicContact CB-CE 4.42Å; L316-M839 HydrophobicContact CB-CG 3.51Å; L316-M839 HydrophobicContact CB-SD 3.68Å; L316-M839 HydrophobicContact CD1-CB 4.26Å; L316-M839 HydrophobicContact CD1-CG 3.27Å; L316-M839 HydrophobicContact CG-CG 3.98Å; Q317-M839 HydrophobicContact CG-CE 4.03Å; Q317-M839 HydrophobicContact CG-SD 3.59Å; Q317-M839 VanDerWaalsContact CG-SD 3.59Å; Q317-M839 PolarHBondContact NE2-SD 3.25Å; M839-G846 CarbonylContact O-C 3.54Å; M839-G846 VanDerWaalsContact O-C 3.29Å; M839-G846 WeakPolarHBondContact O-CA 3.46Å; M839-H847 HydrophobicContact CB-CB 4.35Å; M839-H847 HydrophobicContact CE-CB 3.87Å; M839-H847 WeakPolarHBondContact CE-CD2 3.4Å; M839-H847 WeakPolarHBondContact CE-O 3.35Å; M839-H847 PolarHBondContact N-O 3.49Å; M839-H847 PolarHBondContact O-N 3.1Å; M839-V849 HydrophobicContact CE-CB 4.07Å; M839-V849 HydrophobicContact CE-CG2 3.34Å |
| 840 | G | 72.1 | Confident | 85.2 | Confident | 14 Ų | 14 | 21.2 Ų | 21.2 | 14% | 0.144 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.4 | 162.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | K610 D845 | K610-G840 WeakPolarHBondContact CD-O 3.41Å; K610-G840 WeakPolarHBondContact CE-O 3.37Å; K610-G840 PolarHBondContact NZ-O 2.93Å; G840-D845 WeakPolarHBondContact CA-O 3.34Å |
| 841 | K | 70.1 | Confident | 85.2 | Confident | 114 Ų | 114 | 21.2 Ų | 21.2 | 50% | 0.496 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -23.6 | -174.5 | -66.5 | 178.3 | -176.2 | 170.4 | 0 | 113.4 | K610 | K610-K841 WeakPolarHBondContact CB-O 3.36Å |
| 842 | S | 67.5 | Low | 85.4 | Confident | 39 Ų | 39 | 20.5 Ų | 20.5 | 27% | 0.273 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 166.2 | 179.8 | 77.8 | 0 | 0 | 0 | 0 | 109.9 | H838 N844 D845 | H838-S842 PolarHBondContact CE1-O 3.47Å; H838-S842 PolarHBondContact NE2-O 3.22Å; S842-N844 PolarHBondContact O-N 3.22Å; S842-N844 PolarHBondContact OG-N 2.81Å; S842-D845 PolarHBondContact OG-N 3.44Å |
| 843 | T | 66.8 | Low | 85.3 | Confident | 31 Ų | 31 | 20.7 Ų | 20.7 | 19% | 0.19 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -20.8 | 172.7 | 47.6 | 0 | 0 | 0 | 0 | 113 | D450 F600 | D450-T843 HydrophobicContact CB-CG2 4.35Å; D450-T843 VanDerWaalsContact OD2-CG2 3.25Å; D450-T843 WeakPolarHBondContact OD2-CG2 3.48Å; F600-T843 HydrophobicContact CD1-CG2 3.97Å; F600-T843 HydrophobicContact CD2-CG2 3.5Å; F600-T843 HydrophobicContact CE1-CG2 3.89Å; F600-T843 HydrophobicContact CE2-CG2 3.42Å; F600-T843 VanDerWaalsContact CE2-CG2 3.42Å; F600-T843 HydrophobicContact CG-CG2 3.76Å; F600-T843 HydrophobicContact CZ-CG2 3.6Å |
| 844 | N | 67.3 | Low | 85.2 | Confident | 109 Ų | 109 | 21.9 Ų | 21.9 | 58% | 0.583 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -5.5 | -173.1 | -57.3 | -4.5 | 0 | 0 | 0 | 112.9 | Q448 S842 | Q448-N844 WeakPolarHBondContact CB-O 3.36Å; S842-N844 PolarHBondContact O-N 3.22Å; S842-N844 PolarHBondContact OG-N 2.81Å |
| 845 | D | 65.4 | Low | 84.9 | Confident | 82 Ų | 82 | 23.7 Ų | 23.7 | 44% | 0.439 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 111.9 | 174 | 178.1 | 25.3 | 0 | 0 | 0 | 109.1 | G840 S842 | G840-D845 WeakPolarHBondContact CA-O 3.34Å; S842-D845 PolarHBondContact OG-N 3.44Å |
| 846 | G | 72.8 | Confident | 84.8 | Confident | 15 Ų | 15 | 23.9 Ų | 23.9 | 16% | 0.155 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.5 | -173.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q448 M839 | Q448-G846 VanDerWaalsContact CD-O 3.3Å; Q448-G846 PolarHBondContact NE2-O 3.18Å; Q448-G846 VanDerWaalsContact NE2-O 3.17Å; M839-G846 CarbonylContact O-C 3.54Å; M839-G846 VanDerWaalsContact O-C 3.29Å; M839-G846 WeakPolarHBondContact O-CA 3.46Å |
| 847 | H | 82.8 | Confident | 84.7 | Confident | 17 Ų | 17 | 24.2 Ų | 24.2 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 135.4 | -176.7 | -171.7 | 47.3 | 0 | 0 | 0 | 111 | W313 Q317 C341 M839 N886 D887 | W313-H847 HydrophobicContact CZ2-CB 3.85Å; Q317-H847 PolarHBondContact NE2-CD2 3Å; C341-H847 WeakPolarHBondContact CB-CE1 2.96Å; C341-H847 WeakPolarHBondContact CB-ND1 3.3Å; C341-H847 PolarHBondContact SG-ND1 3.22Å; M839-H847 HydrophobicContact CB-CB 4.35Å; M839-H847 HydrophobicContact CE-CB 3.87Å; M839-H847 WeakPolarHBondContact CE-CD2 3.4Å; M839-H847 WeakPolarHBondContact CE-O 3.35Å; M839-H847 PolarHBondContact N-O 3.49Å; M839-H847 PolarHBondContact O-N 3.1Å; H847-N886 PolarHBondContact NE2-OD1 2.94Å; H847-D887 IonicContact CE1-OD2 2.71Å; H847-D887 PolarHBondContact CE1-OD2 2.9Å; H847-D887 VanDerWaalsContact CE1-OD2 3.23Å |
| 848 | Y | 90.8 | Very high | 84.6 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.3 | 179 | -67.6 | -90.2 | 0 | 0 | 0 | 110.9 | C341 Y342 Q448 Q449 A451 I836 S837 H838 Y902 | C341-Y848 PolarHBondContact SG-N 3.24Å; C341-Y848 VanDerWaalsContact SG-N 3.38Å; Y342-Y848 VanDerWaalsContact CA-CD2 3.48Å; Y342-Y848 VanDerWaalsContact CB-CD2 3.46Å; Q448-Y848 VanDerWaalsContact NE2-CE2 3.33Å; Q449-Y848 WeakPolarHBondContact O-CE2 3.41Å; A451-Y848 HydrophobicContact CB-CD1 3.77Å; A451-Y848 HydrophobicContact CB-CE1 3.5Å; A451-Y848 HydrophobicContact CB-CE2 4.33Å; A451-Y848 HydrophobicContact CB-CG 4.27Å; A451-Y848 PolarHBondContact N-OH 2.77Å; I836-Y848 HydrophobicContact CG2-CD1 3.76Å; I836-Y848 HydrophobicContact CG2-CG 4.44Å; S837-Y848 WeakPolarHBondContact O-CA 3.29Å; H838-Y848 HydrophobicContact CB-CD1 3.88Å; H838-Y848 HydrophobicContact CB-CE1 3.62Å; H838-Y848 AromaticContact CD2-CD1 3.88Å; H838-Y848 AromaticContact CD2-CD2 3.95Å; H838-Y848 AromaticContact CD2-CE1 3.44Å; H838-Y848 VanDerWaalsContact CD2-CE1 3.44Å; H838-Y848 WeakPolarHBondContact CD2-CE1 3.08Å; H838-Y848 AromaticContact CD2-CE2 3.51Å; H838-Y848 AromaticContact CD2-CZ 3.24Å; H838-Y848 AromaticContact CG-CE1 3.8Å; H838-Y848 AromaticContact CG-CZ 3.97Å; Y848-Y902 AromaticContact CE1-CD1 3.91Å; Y848-Y902 HydrophobicContact CE1-CD1 3.91Å; Y848-Y902 HydrophobicContact CE1-CE1 4.31Å |
| 849 | V | 93.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 136.6 | 176.3 | 169.4 | 0 | 0 | 0 | 0 | 108.9 | I836 S837 M839 I884 N886 | I836-V849 WeakPolarHBondContact CA-O 3.33Å; S837-V849 PolarHBondContact N-O 3.19Å; S837-V849 PolarHBondContact O-N 3.07Å; S837-V849 VanDerWaalsContact O-N 3.07Å; M839-V849 HydrophobicContact CE-CB 4.07Å; M839-V849 HydrophobicContact CE-CG2 3.34Å; V849-I884 HydrophobicContact CG1-CD1 3.78Å; V849-I884 HydrophobicContact CG1-CG1 3.45Å; V849-I884 VanDerWaalsContact CG1-CG1 3.45Å; V849-N886 HydrophobicContact CG1-CB 4.46Å; V849-N886 HydrophobicContact CG2-CB 3.99Å |
| 850 | A | 97.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 138.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A345 Q348 V349 F835 I836 F885 | A345-A850 HydrophobicContact CB-CB 4.15Å; Q348-A850 HydrophobicContact CB-CB 4.31Å; V349-A850 HydrophobicContact CG2-CB 4.13Å; F835-A850 WeakPolarHBondContact O-CA 3.37Å; I836-A850 HydrophobicContact CG1-CB 4.29Å; A850-F885 HydrophobicContact CB-CB 4.34Å; A850-F885 PolarHBondContact N-O 3.01Å; A850-F885 VanDerWaalsContact N-O 3.16Å; A850-F885 PolarHBondContact O-N 3.27Å |
| 851 | H | 97.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.3 | 169 | -70 | 74.3 | 0 | 0 | 0 | 108.4 | E318 A834 F835 W882 I883 I884 S893 P897 | E318-H851 IonicContact OE1-NE2 3.15Å; A834-H851 CarbonylContact C-O 3.51Å; A834-H851 WeakPolarHBondContact CA-O 3.36Å; F835-H851 HydrophobicContact CD1-CB 4.01Å; F835-H851 HydrophobicContact CD2-CB 4.03Å; F835-H851 HydrophobicContact CE1-CB 3.52Å; F835-H851 HydrophobicContact CE2-CB 3.55Å; F835-H851 AromaticContact CE2-CG 3.51Å; F835-H851 AromaticContact CE2-ND1 3.45Å; F835-H851 WeakPolarHBondContact CE2-ND1 3.32Å; F835-H851 HydrophobicContact CG-CB 4.25Å; F835-H851 HydrophobicContact CZ-CB 3.27Å; F835-H851 AromaticContact CZ-CD2 3.99Å; F835-H851 AromaticContact CZ-CG 3.44Å; F835-H851 VanDerWaalsContact CZ-CG 3.44Å; F835-H851 AromaticContact CZ-ND1 3.88Å; F835-H851 PolarHBondContact N-O 2.87Å; F835-H851 PolarHBondContact O-N 3.33Å; H851-W882 HydrophobicContact CB-CE3 4.13Å; H851-W882 HydrophobicContact CB-CZ3 4.45Å; H851-I883 CarbonylContact C-O 3.52Å; H851-I883 WeakPolarHBondContact CA-O 3.4Å; H851-I884 WeakPolarHBondContact NE2-CD1 3.01Å; H851-S893 PolarHBondContact CD2-OG 3.12Å; H851-P897 WeakPolarHBondContact NE2-CD 3.24Å |
| 852 | I | 98 | Very high | 87.2 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133.4 | -173.6 | -50.9 | 178.7 | 0 | 0 | 0 | 109.6 | Q348 V349 A834 F856 L857 I883 F885 | Q348-I852 HydrophobicContact CB-CD1 3.97Å; Q348-I852 WeakPolarHBondContact O-CD1 3.43Å; V349-I852 HydrophobicContact CG2-CD1 4.2Å; V349-I852 HydrophobicContact CG2-CG1 4.44Å; A834-I852 HydrophobicContact CB-CB 4.38Å; A834-I852 HydrophobicContact CB-CG1 3.95Å; A834-I852 HydrophobicContact CB-CG2 4.28Å; I852-F856 HydrophobicContact CG2-CB 4.39Å; I852-L857 HydrophobicContact CB-CD2 4.15Å; I852-L857 HydrophobicContact CD1-CD2 4.22Å; I852-L857 HydrophobicContact CG2-CD2 3.65Å; I852-L857 HydrophobicContact CG2-CG 4.11Å; I852-I883 PolarHBondContact N-O 2.96Å; I852-I883 PolarHBondContact O-N 2.92Å; I852-F885 HydrophobicContact CB-CE2 4.13Å; I852-F885 HydrophobicContact CD1-CD2 4.05Å; I852-F885 HydrophobicContact CD1-CE2 3.96Å; I852-F885 HydrophobicContact CG1-CD2 4.2Å; I852-F885 HydrophobicContact CG1-CE2 4.2Å |
| 853 | K | 95.9 | Very high | 88.2 | Confident | 7 Ų | 7 | 33.9 Ų | 33.9 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 130.2 | 174.8 | -168.6 | 175.9 | -178.4 | 177.7 | 0 | 110 | E628 E831 F833 S855 F856 W882 | E628-K853 IonicContact OE1-NZ 3.94Å; E628-K853 PolarHBondContact OE1-NZ 3.24Å; E831-K853 IonicContact OE2-NZ 3.08Å; F833-K853 PolarHBondContact O-N 3.28Å; K853-S855 PolarHBondContact O-N 3.13Å; K853-S855 VanDerWaalsContact O-N 3.09Å; K853-F856 HydrophobicContact CB-CD2 4.07Å; K853-F856 HydrophobicContact CD-CD2 4.41Å; K853-F856 HydrophobicContact CD-CE2 4.25Å; K853-F856 HydrophobicContact CG-CD2 4.48Å; K853-F856 PolarHBondContact O-N 3.27Å; K853-W882 HydrophobicContact CB-CD2 4.4Å; K853-W882 HydrophobicContact CB-CH2 4.39Å; K853-W882 HydrophobicContact CB-CZ2 4.26Å |
| 854 | R | 94.7 | Very high | 89.2 | Confident | 27 Ų | 27 | 36 Ų | 36 | 10% | 0.102 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -58.2 | -28 | -173.4 | 177.6 | 165.1 | 173.6 | 153.8 | 3.7 | 113.9 | F856 L857 K859 C875 G876 S878 D879 E881 I883 | R854-F856 PolarHBondContact O-N 2.85Å; R854-L857 PolarHBondContact O-N 2.85Å; R854-K859 PolarHBondContact O-NZ 3.42Å; R854-C875 PolarHBondContact NH2-O 3.28Å; R854-C875 VanDerWaalsContact NH2-O 3.12Å; R854-G876 PolarHBondContact NH1-O 3.41Å; R854-S878 WeakPolarHBondContact CD-O 3.47Å; R854-D879 CarbonylContact C-O 3.6Å; R854-E881 HydrophobicContact CB-CG 3.92Å; R854-E881 WeakPolarHBondContact CB-O 3.41Å; R854-E881 WeakPolarHBondContact CD-OE1 3.26Å; R854-E881 IonicContact CZ-OE1 3.05Å; R854-E881 PolarHBondContact N-O 3.18Å; R854-E881 IonicContact NE-OE1 3.46Å; R854-E881 IonicContact NH1-OE1 3.86Å; R854-E881 PolarHBondContact NH1-OE1 3.09Å; R854-I883 HydrophobicContact CB-CD1 4.48Å; R854-I883 HydrophobicContact CB-CG1 4.11Å |
| 855 | S | 93.3 | Very high | 90 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 26% | 0.259 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -62.6 | -23.4 | 175.7 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | K853 D879 | K853-S855 PolarHBondContact O-N 3.13Å; K853-S855 VanDerWaalsContact O-N 3.09Å; S855-D879 VanDerWaalsContact CB-O 3.32Å; S855-D879 WeakPolarHBondContact CB-O 3.42Å; S855-D879 PolarHBondContact N-O 2.92Å |
| 856 | F | 95.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -93 | -8.9 | 179.7 | -72.2 | -103 | 0 | 0 | 0 | 113 | S352 R357 Y592 F833 I852 K853 R854 R907 | S352-F856 CarbonylContact C-O 3.17Å; S352-F856 WeakPolarHBondContact CA-O 3.43Å; R357-F856 PolarHBondContact NH1-O 3.21Å; Y592-F856 HydrophobicContact CE1-CE1 4.3Å; F833-F856 HydrophobicContact CB-CD1 3.77Å; F833-F856 HydrophobicContact CB-CD2 3.55Å; F833-F856 HydrophobicContact CB-CE1 3.56Å; F833-F856 HydrophobicContact CB-CE2 3.36Å; F833-F856 HydrophobicContact CB-CG 3.76Å; F833-F856 HydrophobicContact CB-CZ 3.35Å; F833-F856 HydrophobicContact CD1-CD1 4.47Å; F833-F856 HydrophobicContact CD1-CE1 4.13Å; F833-F856 HydrophobicContact CD2-CB 3.97Å; F833-F856 AromaticContact CD2-CD1 3.41Å; F833-F856 HydrophobicContact CD2-CD1 3.41Å; F833-F856 VanDerWaalsContact CD2-CD1 3.41Å; F833-F856 HydrophobicContact CD2-CD2 4.31Å; F833-F856 AromaticContact CD2-CE1 3.88Å; F833-F856 HydrophobicContact CD2-CE1 3.88Å; F833-F856 AromaticContact CD2-CG 3.64Å; F833-F856 HydrophobicContact CD2-CG 3.64Å; F833-F856 HydrophobicContact CE2-CD1 4.1Å; F833-F856 AromaticContact CG-CD1 3.63Å; F833-F856 HydrophobicContact CG-CD1 3.63Å; F833-F856 HydrophobicContact CG-CD2 4.28Å; F833-F856 AromaticContact CG-CE1 3.58Å; F833-F856 HydrophobicContact CG-CE1 3.58Å; F833-F856 HydrophobicContact CG-CE2 4.28Å; F833-F856 AromaticContact CG-CG 3.98Å; F833-F856 HydrophobicContact CG-CG 3.98Å; F833-F856 AromaticContact CG-CZ 3.94Å; F833-F856 HydrophobicContact CG-CZ 3.94Å; I852-F856 HydrophobicContact CG2-CB 4.39Å; K853-F856 HydrophobicContact CB-CD2 4.07Å; K853-F856 HydrophobicContact CD-CD2 4.41Å; K853-F856 HydrophobicContact CD-CE2 4.25Å; K853-F856 HydrophobicContact CG-CD2 4.48Å; K853-F856 PolarHBondContact O-N 3.27Å; R854-F856 PolarHBondContact O-N 2.85Å; F856-R907 HydrophobicContact CE1-CB 3.88Å; F856-R907 HydrophobicContact CE1-CG 4.29Å; F856-R907 HydrophobicContact CZ-CB 4.08Å; F856-R907 VanDerWaalsContact CZ-CZ 3.47Å |
| 857 | L | 95.3 | Very high | 91 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -83.7 | 146.6 | 176.8 | -61.1 | 176.8 | 0 | 0 | 0 | 111 | M331 I852 R854 K859 I883 F885 | M331-L857 HydrophobicContact CG-CD1 4Å; I852-L857 HydrophobicContact CB-CD2 4.15Å; I852-L857 HydrophobicContact CD1-CD2 4.22Å; I852-L857 HydrophobicContact CG2-CD2 3.65Å; I852-L857 HydrophobicContact CG2-CG 4.11Å; R854-L857 PolarHBondContact O-N 2.85Å; L857-K859 PolarHBondContact O-N 3.39Å; L857-I883 HydrophobicContact CD1-CB 4.1Å; L857-I883 HydrophobicContact CD1-CG1 3.79Å; L857-I883 HydrophobicContact CD1-CG2 4.4Å; L857-F885 HydrophobicContact CD1-CE2 3.98Å; L857-F885 HydrophobicContact CD1-CZ 3.77Å; L857-F885 HydrophobicContact CD2-CE2 4.1Å; L857-F885 HydrophobicContact CD2-CZ 3.95Å |
| 858 | A | 93.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | trans | -56.7 | 137.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P329 G330 C400 | P329-A858 CarbonylContact C-O 3.51Å; P329-A858 VanDerWaalsContact O-O 3.04Å; G330-A858 PolarHBondContact N-O 2.96Å; C400-A858 HydrophobicContact CB-CB 3.65Å | ||
| 859 | K | 90 | Very high | 89.8 | Confident | 86 Ų | 86 | 45.8 Ų | 45.8 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | trans | -92.4 | -26.8 | 173.8 | -53.3 | -58.4 | 171.4 | -177.2 | 0 | 112.7 | P329 R854 L857 D879 | P329-K859 VanDerWaalsContact CB-C 3.49Å; P329-K859 WeakPolarHBondContact CB-O 3.31Å; P329-K859 WeakPolarHBondContact CG-O 3.38Å; R854-K859 PolarHBondContact O-NZ 3.42Å; L857-K859 PolarHBondContact O-N 3.39Å; K859-D879 IonicContact NZ-OD1 2.81Å; K859-D879 PolarHBondContact NZ-OD1 3.28Å | ||
| 860 | C | 90.1 | Very high | 88.8 | Confident | 47 Ų | 47 | 53.3 Ų | 53.3 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | trans | -165.6 | 177.6 | 174.3 | 63 | 0 | 0 | 0 | 0 | 110.1 | Y362 | Y362-C860 PolarHBondContact OH-O 2.63Š| ||
| 861 | I | 93 | Very high | 87.4 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | trans | -89.1 | 125.2 | 156.2 | -55.8 | -67.6 | 0 | 0 | 0 | 106.7 | Y362 C400 H863 E864 | Y362-I861 HydrophobicContact CD1-CD1 3.73Å; Y362-I861 HydrophobicContact CD1-CG2 4.12Å; Y362-I861 HydrophobicContact CE1-CD1 3.83Å; C400-I861 HydrophobicContact CB-CD1 3.57Å; I861-H863 PolarHBondContact O-N 3.5Å; I861-E864 HydrophobicContact CB-CB 4.06Å; I861-E864 HydrophobicContact CB-CG 4.09Å; I861-E864 HydrophobicContact CG2-CB 4.31Å; I861-E864 HydrophobicContact CG2-CG 3.82Å; I861-E864 PolarHBondContact O-N 3.09Å | ||
| 862 | P | 91 | Very high | 86.2 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 22% | 0.221 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 139.2 | 176.4 | -27.6 | 35.4 | 0 | 0 | 0 | 111.8 | Y362 E864 | Y362-P862 VanDerWaalsContact CD1-CD 3.41Å; Y362-P862 HydrophobicContact CD1-CG 4.38Å; Y362-P862 HydrophobicContact CD2-CG 3.75Å; Y362-P862 VanDerWaalsContact CE1-CD 3.42Å; Y362-P862 HydrophobicContact CE1-CG 4.39Å; Y362-P862 HydrophobicContact CE2-CG 3.8Å; Y362-P862 HydrophobicContact CG-CG 4.07Å; P862-E864 PolarHBondContact O-N 3.11Å; P862-E864 VanDerWaalsContact O-N 3.1Å |
| 863 | H | 87.6 | Confident | 85.1 | Confident | 200 Ų | 200 | 62 Ų | 62 | 93% | 0.926 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 0.9 | -179.2 | -46.9 | -66.7 | 0 | 0 | 0 | 116.5 | I861 | I861-H863 PolarHBondContact O-N 3.5Š|
| 864 | E | 89.1 | Confident | 84.1 | Confident | 76 Ų | 76 | 68 Ų | 68 | 36% | 0.355 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -97.5 | 142.9 | 168.2 | -65.2 | -172.2 | -166.5 | 0 | 0 | 110.8 | H397 I861 P862 | H397-E864 IonicContact CD2-OE1 3.82Å; H397-E864 IonicContact CE1-OE1 3.56Å; H397-E864 IonicContact CE1-OE2 2.72Å; H397-E864 VanDerWaalsContact NE2-CD 3.35Å; H397-E864 IonicContact NE2-OE1 2.84Å; H397-E864 PolarHBondContact NE2-OE1 3.21Å; H397-E864 IonicContact NE2-OE2 3.07Å; H397-E864 PolarHBondContact NE2-OE2 2.8Å; H397-E864 VanDerWaalsContact NE2-OE2 3.15Å; I861-E864 HydrophobicContact CB-CB 4.06Å; I861-E864 HydrophobicContact CB-CG 4.09Å; I861-E864 HydrophobicContact CG2-CB 4.31Å; I861-E864 HydrophobicContact CG2-CG 3.82Å; I861-E864 PolarHBondContact O-N 3.09Å; P862-E864 PolarHBondContact O-N 3.11Å; P862-E864 VanDerWaalsContact O-N 3.1Å |
| 865 | P | 84.3 | Confident | 83.5 | Confident | 105 Ų | 105 | 67.5 Ų | 67.5 | 68% | 0.682 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 143.7 | 173.6 | 28.6 | -33.6 | 0 | 0 | 0 | 110.3 | V867 | P865-V867 PolarHBondContact O-N 2.84Š|
| 866 | P | 77.7 | Confident | 82.9 | Confident | 72 Ų | 72 | 68 Ų | 68 | 47% | 0.468 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 136.2 | 176.7 | 26 | -34.3 | 0 | 0 | 0 | 111 | Y868 | P866-Y868 HydrophobicContact CB-CE2 3.73Å; P866-Y868 HydrophobicContact CG-CE2 3.67Å |
| 867 | V | 80.1 | Confident | 82.3 | Confident | 52 Ų | 52 | 70 Ų | 70 | 32% | 0.315 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 122.4 | 178.5 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | A403 P865 | A403-V867 HydrophobicContact CB-CB 4.49Å; A403-V867 HydrophobicContact CB-CG1 4.27Å; A403-V867 HydrophobicContact CB-CG2 4.25Å; P865-V867 PolarHBondContact O-N 2.84Å |
| 868 | Y | 73.2 | Confident | 82 | Confident | 147 Ų | 147 | 72.5 Ų | 72.5 | 58% | 0.576 | 44% | 0.435 | S | S | * | . | trans | -120.2 | 134.9 | 174.2 | -58.1 | -71.4 | 0 | 0 | 0 | 110 | P866 I874 | P866-Y868 HydrophobicContact CB-CE2 3.73Å; P866-Y868 HydrophobicContact CG-CE2 3.67Å; Y868-I874 HydrophobicContact CD1-CG1 4.31Å; Y868-I874 HydrophobicContact CE1-CD1 4.43Å; Y868-I874 HydrophobicContact CE1-CG1 4.02Å | ||
| 869 | H | 75.9 | Confident | 81.8 | Confident | 54 Ų | 54 | 76.3 Ų | 76.3 | 25% | 0.25 | 46% | 0.455 | C | S | . | . | trans | -95.9 | 131.9 | 179.8 | -69.9 | -90.5 | 0 | 0 | 0 | 110.9 | G402 A403 W406 G871 S872 | G402-H869 PolarHBondContact O-NE2 2.84Å; A403-H869 PolarHBondContact O-CE1 2.77Å; A403-H869 PolarHBondContact O-NE2 3.5Å; W406-H869 HydrophobicContact CB-CB 3.72Å; W406-H869 AromaticContact CE3-CD2 3.77Å; W406-H869 AromaticContact CE3-CE1 3.28Å; W406-H869 AromaticContact CE3-CG 3.89Å; W406-H869 AromaticContact CE3-ND1 3.59Å; W406-H869 AromaticContact CE3-NE2 3.41Å; W406-H869 HydrophobicContact CG-CB 4.32Å; W406-H869 AromaticContact CZ3-CE1 3.49Å; W406-H869 VanDerWaalsContact CZ3-CE1 3.49Å; W406-H869 WeakPolarHBondContact CZ3-CE1 3.49Å; W406-H869 AromaticContact CZ3-NE2 3.89Å; H869-G871 PolarHBondContact O-N 2.77Å; H869-S872 PolarHBondContact O-N 2.96Å | ||
| 870 | V | 71.9 | Confident | 81.7 | Confident | 157 Ų | 157 | 74.3 Ų | 74.3 | 95% | 0.952 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 128.4 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | S872 | V870-S872 VanDerWaalsContact C-N 3.34Š|
| 871 | G | 69.3 | Low | 81.9 | Confident | 76 Ų | 76 | 72.7 Ų | 72.7 | 78% | 0.784 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | -4.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | H869 | H869-G871 PolarHBondContact O-N 2.77Š|
| 872 | S | 72.1 | Confident | 82 | Confident | 19 Ų | 19 | 73.3 Ų | 73.3 | 13% | 0.133 | 44% | 0.437 | C | S | . | . | trans | -106.6 | 116.7 | 169.1 | -66.2 | 0 | 0 | 0 | 0 | 109.7 | L407 H869 V870 | L407-S872 PolarHBondContact N-OG 2.81Å; L407-S872 VanDerWaalsContact N-OG 3.15Å; H869-S872 PolarHBondContact O-N 2.96Å; V870-S872 VanDerWaalsContact C-N 3.34Å | ||
| 873 | P | 74.1 | Confident | 82.2 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | trans | -64.3 | 169.8 | 175.1 | 22.7 | -26.3 | 0 | 0 | 0 | 111.5 | Y327 C875 | Y327-P873 WeakPolarHBondContact CE2-O 3.39Å; Y327-P873 VanDerWaalsContact OH-CD 3.29Å; Y327-P873 WeakPolarHBondContact OH-CD 3.48Å; Y327-P873 VanDerWaalsContact OH-CG 3.3Å; Y327-P873 WeakPolarHBondContact OH-CG 3.35Å; Y327-P873 PolarHBondContact OH-O 2.91Å; P873-C875 PolarHBondContact O-N 2.97Å | ||
| 874 | I | 75.6 | Confident | 82.6 | Confident | 133 Ų | 133 | 62.4 Ų | 62.4 | 68% | 0.682 | 38% | 0.384 | S | S | * | . | trans | -66.1 | 122.7 | 173.1 | -62.3 | 173.5 | 0 | 0 | 0 | 108.2 | Y868 G876 | Y868-I874 HydrophobicContact CD1-CG1 4.31Å; Y868-I874 HydrophobicContact CE1-CD1 4.43Å; Y868-I874 HydrophobicContact CE1-CG1 4.02Å; I874-G876 PolarHBondContact O-N 2.68Å; I874-G876 VanDerWaalsContact O-N 3.09Å | ||
| 875 | C | 81.2 | Confident | 82.9 | Confident | 18 Ų | 18 | 59 Ų | 59 | 12% | 0.122 | 37% | 0.368 | C | S | . | . | trans | -72.2 | 102.2 | 178.7 | -164.2 | 0 | 0 | 0 | 0 | 110.6 | Y327 R854 P873 | Y327-C875 HydrophobicContact CD1-CB 4.05Å; Y327-C875 HydrophobicContact CD2-CB 4Å; Y327-C875 HydrophobicContact CE1-CB 3.8Å; Y327-C875 HydrophobicContact CE2-CB 3.8Å; Y327-C875 HydrophobicContact CG-CB 4.13Å; Y327-C875 WeakPolarHBondContact O-CB 2.95Å; R854-C875 PolarHBondContact NH2-O 3.28Å; R854-C875 VanDerWaalsContact NH2-O 3.12Å; P873-C875 PolarHBondContact O-N 2.97Å | ||
| 876 | G | 81.2 | Confident | 83.2 | Confident | 48 Ų | 48 | 54.9 Ų | 54.9 | 50% | 0.495 | 34% | 0.34 | S | S | . | . | trans | -70.1 | -178 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R854 I874 | R854-G876 PolarHBondContact NH1-O 3.41Å; I874-G876 PolarHBondContact O-N 2.68Å; I874-G876 VanDerWaalsContact O-N 3.09Å | ||
| 877 | G | 83 | Confident | 83.8 | Confident | 46 Ų | 46 | 52.1 Ų | 52.1 | 47% | 0.474 | 32% | 0.321 | S | S | . | . | trans | 141.3 | 161.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 878 | S | 88 | Confident | 83.9 | Confident | 58 Ų | 58 | 53.7 Ų | 53.7 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | trans | -84.7 | 141.4 | 177.5 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | R854 Q880 E881 | R854-S878 WeakPolarHBondContact CD-O 3.47Å; S878-Q880 PolarHBondContact O-N 3.36Å; S878-Q880 PolarHBondContact OG-N 3.15Å; S878-Q880 VanDerWaalsContact OG-N 3.15Å; S878-E881 WeakPolarHBondContact O-CB 3.43Å; S878-E881 WeakPolarHBondContact O-CG 3.07Å; S878-E881 PolarHBondContact O-N 3.37Å | ||
| 879 | D | 88.5 | Confident | 84.5 | Confident | 82 Ų | 82 | 53.2 Ų | 53.2 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -16.3 | 171.2 | -77.3 | -26.4 | 0 | 0 | 0 | 113.2 | R854 S855 K859 | R854-D879 CarbonylContact C-O 3.6Å; S855-D879 VanDerWaalsContact CB-O 3.32Å; S855-D879 WeakPolarHBondContact CB-O 3.42Å; S855-D879 PolarHBondContact N-O 2.92Å; K859-D879 IonicContact NZ-OD1 2.81Å; K859-D879 PolarHBondContact NZ-OD1 3.28Å |
| 880 | Q | 89.9 | Confident | 85.3 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -0.7 | 176.7 | -58.2 | -61.7 | -39.7 | 0 | 0 | 113.4 | N626 E628 S878 | N626-Q880 WeakPolarHBondContact ND2-CB 3.3Å; N626-Q880 PolarHBondContact ND2-O 2.82Å; E628-Q880 PolarHBondContact OE1-OE1 3.34Å; S878-Q880 PolarHBondContact O-N 3.36Å; S878-Q880 PolarHBondContact OG-N 3.15Å; S878-Q880 VanDerWaalsContact OG-N 3.15Å |
| 881 | E | 93.1 | Very high | 86.2 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -75.9 | 153.8 | 176.5 | 85.8 | -169.3 | 175.2 | 0 | 0 | 111.4 | R326 R854 S878 I883 | R326-E881 IonicContact CZ-OE1 3.65Å; R326-E881 IonicContact CZ-OE2 3.83Å; R326-E881 IonicContact NE-OE1 3.86Å; R326-E881 PolarHBondContact NE-OE1 3.03Å; R326-E881 IonicContact NE-OE2 2.98Å; R326-E881 IonicContact NH2-OE2 3.69Å; R326-E881 PolarHBondContact NH2-OE2 2.97Å; R854-E881 HydrophobicContact CB-CG 3.92Å; R854-E881 WeakPolarHBondContact CB-O 3.41Å; R854-E881 WeakPolarHBondContact CD-OE1 3.26Å; R854-E881 IonicContact CZ-OE1 3.05Å; R854-E881 PolarHBondContact N-O 3.18Å; R854-E881 IonicContact NE-OE1 3.46Å; R854-E881 IonicContact NH1-OE1 3.86Å; R854-E881 PolarHBondContact NH1-OE1 3.09Å; S878-E881 WeakPolarHBondContact O-CB 3.43Å; S878-E881 WeakPolarHBondContact O-CG 3.07Å; S878-E881 PolarHBondContact O-N 3.37Å; E881-I883 HydrophobicContact CG-CD1 3.82Å |
| 882 | W | 95.3 | Very high | 87.3 | Confident | 18 Ų | 18 | 43 Ų | 43 | 7% | 0.068 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 140.8 | 173.9 | -75.1 | 81.5 | 0 | 0 | 0 | 110 | W629 L832 F833 F835 H851 K853 S893 P896 | W629-W882 AromaticContact CE3-CZ2 3.85Å; W629-W882 HydrophobicContact CE3-CZ2 3.85Å; W629-W882 AromaticContact CZ3-CE2 3.65Å; W629-W882 AromaticContact CZ3-CZ2 3.59Å; W629-W882 HydrophobicContact CZ3-CZ2 3.59Å; W629-W882 AromaticContact CZ3-NE1 3.6Å; L832-W882 HydrophobicContact CD2-CH2 4.15Å; L832-W882 HydrophobicContact CG-CH2 4.08Å; F833-W882 WeakPolarHBondContact O-CZ3 3.38Å; F835-W882 HydrophobicContact CD1-CE3 4.49Å; F835-W882 HydrophobicContact CD1-CH2 4.18Å; F835-W882 AromaticContact CD1-CZ3 3.73Å; F835-W882 HydrophobicContact CD1-CZ3 3.73Å; F835-W882 AromaticContact CE1-CE3 3.93Å; F835-W882 HydrophobicContact CE1-CE3 3.93Å; F835-W882 HydrophobicContact CE1-CH2 4.15Å; F835-W882 AromaticContact CE1-CZ3 3.58Å; F835-W882 HydrophobicContact CE1-CZ3 3.58Å; H851-W882 HydrophobicContact CB-CE3 4.13Å; H851-W882 HydrophobicContact CB-CZ3 4.45Å; K853-W882 HydrophobicContact CB-CD2 4.4Å; K853-W882 HydrophobicContact CB-CH2 4.39Å; K853-W882 HydrophobicContact CB-CZ2 4.26Å; W882-S893 PolarHBondContact O-N 2.99Å; W882-P896 HydrophobicContact CB-CB 4.47Å; W882-P896 HydrophobicContact CB-CG 3.67Å; W882-P896 HydrophobicContact CD2-CB 4.33Å; W882-P896 HydrophobicContact CD2-CG 4.14Å; W882-P896 HydrophobicContact CG-CB 4.24Å; W882-P896 HydrophobicContact CG-CG 3.56Å |
| 883 | I | 96.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.4 | 179 | -52.4 | -61.8 | 0 | 0 | 0 | 108 | R326 M331 H851 I852 R854 L857 E881 F885 V890 A891 | R326-I883 HydrophobicContact CB-CD1 4.26Å; R326-I883 HydrophobicContact CG-CD1 3.85Å; M331-I883 HydrophobicContact SD-CD1 4.5Å; H851-I883 CarbonylContact C-O 3.52Å; H851-I883 WeakPolarHBondContact CA-O 3.4Å; I852-I883 PolarHBondContact N-O 2.96Å; I852-I883 PolarHBondContact O-N 2.92Å; R854-I883 HydrophobicContact CB-CD1 4.48Å; R854-I883 HydrophobicContact CB-CG1 4.11Å; L857-I883 HydrophobicContact CD1-CB 4.1Å; L857-I883 HydrophobicContact CD1-CG1 3.79Å; L857-I883 HydrophobicContact CD1-CG2 4.4Å; E881-I883 HydrophobicContact CG-CD1 3.82Å; I883-F885 HydrophobicContact CB-CD2 4.49Å; I883-F885 HydrophobicContact CB-CE2 3.86Å; I883-F885 HydrophobicContact CB-CZ 4.47Å; I883-F885 HydrophobicContact CG2-CD2 4.03Å; I883-F885 HydrophobicContact CG2-CE2 3.48Å; I883-F885 VanDerWaalsContact CG2-CE2 3.48Å; I883-F885 HydrophobicContact CG2-CZ 3.78Å; I883-V890 HydrophobicContact CG2-CG1 3.49Å; I883-V890 VanDerWaalsContact CG2-CG1 3.49Å; I883-A891 CarbonylContact C-O 3.56Å; I883-A891 WeakPolarHBondContact CA-O 3.29Å; I883-A891 WeakPolarHBondContact CG2-O 3.47Å |
| 884 | I | 95.4 | Very high | 89 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129.8 | 172.2 | -175.8 | 174.4 | 0 | 0 | 0 | 109.1 | L323 V849 H851 V890 A891 | L323-I884 HydrophobicContact CD1-CG2 3.92Å; V849-I884 HydrophobicContact CG1-CD1 3.78Å; V849-I884 HydrophobicContact CG1-CG1 3.45Å; V849-I884 VanDerWaalsContact CG1-CG1 3.45Å; H851-I884 WeakPolarHBondContact NE2-CD1 3.01Å; I884-V890 WeakPolarHBondContact O-CA 3.35Å; I884-A891 HydrophobicContact CG2-CB 3.85Å; I884-A891 WeakPolarHBondContact CG2-O 3.3Å; I884-A891 PolarHBondContact N-O 2.87Å; I884-A891 PolarHBondContact O-N 3.01Å; I884-A891 VanDerWaalsContact O-N 3.12Å |
| 885 | F | 95.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 99.7 | 173.7 | -67.2 | -95.4 | 0 | 0 | 0 | 108.6 | Q348 A850 I852 L857 I883 V890 | Q348-F885 HydrophobicContact CB-CG 4.41Å; Q348-F885 HydrophobicContact CG-CB 3.99Å; Q348-F885 HydrophobicContact CG-CD1 4.01Å; Q348-F885 HydrophobicContact CG-CG 4.06Å; A850-F885 HydrophobicContact CB-CB 4.34Å; A850-F885 PolarHBondContact N-O 3.01Å; A850-F885 VanDerWaalsContact N-O 3.16Å; A850-F885 PolarHBondContact O-N 3.27Å; I852-F885 HydrophobicContact CB-CE2 4.13Å; I852-F885 HydrophobicContact CD1-CD2 4.05Å; I852-F885 HydrophobicContact CD1-CE2 3.96Å; I852-F885 HydrophobicContact CG1-CD2 4.2Å; I852-F885 HydrophobicContact CG1-CE2 4.2Å; L857-F885 HydrophobicContact CD1-CE2 3.98Å; L857-F885 HydrophobicContact CD1-CZ 3.77Å; L857-F885 HydrophobicContact CD2-CE2 4.1Å; L857-F885 HydrophobicContact CD2-CZ 3.95Å; I883-F885 HydrophobicContact CB-CD2 4.49Å; I883-F885 HydrophobicContact CB-CE2 3.86Å; I883-F885 HydrophobicContact CB-CZ 4.47Å; I883-F885 HydrophobicContact CG2-CD2 4.03Å; I883-F885 HydrophobicContact CG2-CE2 3.48Å; I883-F885 VanDerWaalsContact CG2-CE2 3.48Å; I883-F885 HydrophobicContact CG2-CZ 3.78Å; F885-V890 HydrophobicContact CD1-CB 4.49Å; F885-V890 HydrophobicContact CD1-CG1 4.05Å; F885-V890 HydrophobicContact CD1-CG2 3.69Å; F885-V890 HydrophobicContact CE1-CG1 3.79Å; F885-V890 HydrophobicContact CE1-CG2 3.93Å; F885-V890 HydrophobicContact CZ-CG1 4.18Å |
| 886 | N | 90.9 | Very high | 89.9 | Confident | 19 Ų | 19 | 40.4 Ų | 40.4 | 10% | 0.102 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 86.6 | 173.5 | -179 | 0.1 | 0 | 0 | 0 | 108 | Q317 H847 V849 E888 K889 | Q317-N886 PolarHBondContact OE1-ND2 3.32Å; H847-N886 PolarHBondContact NE2-OD1 2.94Å; V849-N886 HydrophobicContact CG1-CB 4.46Å; V849-N886 HydrophobicContact CG2-CB 3.99Å; N886-E888 PolarHBondContact O-N 3.36Å; N886-E888 VanDerWaalsContact O-N 3.15Å; N886-K889 HydrophobicContact CB-CB 4.39Å; N886-K889 PolarHBondContact N-O 2.85Å; N886-K889 WeakPolarHBondContact O-CB 3.37Å; N886-K889 PolarHBondContact O-N 2.93Å |
| 887 | D | 89.6 | Confident | 90.3 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | -116.3 | -171.4 | -67.8 | -42.2 | 0 | 0 | 0 | 111.5 | G333 L334 N336 N344 H847 K889 | G333-D887 CarbonylContact C-O 3.58Å; G333-D887 VanDerWaalsContact CA-O 3.25Å; G333-D887 WeakPolarHBondContact CA-O 3.5Å; L334-D887 PolarHBondContact N-O 3.43Å; L334-D887 CarbonylContact O-C 3.37Å; L334-D887 WeakPolarHBondContact O-CA 3.45Å; L334-D887 VanDerWaalsContact O-CB 3.25Å; L334-D887 WeakPolarHBondContact O-CB 3.43Å; N336-D887 HydrophobicContact CB-CB 4.22Å; N336-D887 WeakPolarHBondContact CB-OD2 3.35Å; N336-D887 PolarHBondContact ND2-OD2 2.8Å; N344-D887 PolarHBondContact ND2-OD1 3.04Å; H847-D887 IonicContact CE1-OD2 2.71Å; H847-D887 PolarHBondContact CE1-OD2 2.9Å; H847-D887 VanDerWaalsContact CE1-OD2 3.23Å; D887-K889 VanDerWaalsContact C-N 3.3Å |
| 888 | E | 83.5 | Confident | 90.9 | Very high | 84 Ų | 84 | 37.2 Ų | 37.2 | 39% | 0.393 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -16.3 | 178.8 | 67.2 | -82.7 | -179.7 | 0 | 0 | 114.2 | L334 R335 N886 | L334-E888 PolarHBondContact O-N 3.34Å; R335-E888 HydrophobicContact CG-CB 4.03Å; N886-E888 PolarHBondContact O-N 3.36Å; N886-E888 VanDerWaalsContact O-N 3.15Å |
| 889 | K | 85.7 | Confident | 91.1 | Very high | 137 Ų | 137 | 38.3 Ų | 38.3 | 60% | 0.596 | 19% | 0.19 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 118 | -177.9 | -60.9 | 176.4 | -175.3 | 170 | 0 | 109.4 | N886 D887 | N886-K889 HydrophobicContact CB-CB 4.39Å; N886-K889 PolarHBondContact N-O 2.85Å; N886-K889 WeakPolarHBondContact O-CB 3.37Å; N886-K889 PolarHBondContact O-N 2.93Å; D887-K889 VanDerWaalsContact C-N 3.3Å |
| 890 | V | 91.4 | Very high | 91.3 | Very high | 13 Ų | 13 | 35.9 Ų | 35.9 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.1 | 177.9 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | R326 M331 I883 I884 F885 | R326-V890 HydrophobicContact CB-CG1 4.23Å; R326-V890 PolarHBondContact N-O 2.99Å; M331-V890 HydrophobicContact CB-CG1 4.09Å; I883-V890 HydrophobicContact CG2-CG1 3.49Å; I883-V890 VanDerWaalsContact CG2-CG1 3.49Å; I884-V890 WeakPolarHBondContact O-CA 3.35Å; F885-V890 HydrophobicContact CD1-CB 4.49Å; F885-V890 HydrophobicContact CD1-CG1 4.05Å; F885-V890 HydrophobicContact CD1-CG2 3.69Å; F885-V890 HydrophobicContact CE1-CG1 3.79Å; F885-V890 HydrophobicContact CE1-CG2 3.93Å; F885-V890 HydrophobicContact CZ-CG1 4.18Å |
| 891 | A | 91.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 11% | 0.107 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 164.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L323 E324 I883 I884 S893 | L323-A891 HydrophobicContact CB-CB 3.68Å; L323-A891 HydrophobicContact CD1-CB 4.23Å; E324-A891 CarbonylContact O-C 3.59Å; E324-A891 VanDerWaalsContact O-CA 3.25Å; E324-A891 WeakPolarHBondContact O-CA 3.47Å; E324-A891 WeakPolarHBondContact O-CB 3.32Å; I883-A891 CarbonylContact C-O 3.56Å; I883-A891 WeakPolarHBondContact CA-O 3.29Å; I883-A891 WeakPolarHBondContact CG2-O 3.47Å; I884-A891 HydrophobicContact CG2-CB 3.85Å; I884-A891 WeakPolarHBondContact CG2-O 3.3Å; I884-A891 PolarHBondContact N-O 2.87Å; I884-A891 PolarHBondContact O-N 3.01Å; I884-A891 VanDerWaalsContact O-N 3.12Å; A891-S893 PolarHBondContact O-N 2.94Å |
| 892 | K | 92.6 | Very high | 91.6 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 20% | 0.2 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 127.5 | 167.4 | 178.7 | 174.1 | 168.1 | -114.5 | 0 | 108.6 | E324 R326 E894 | E324-K892 HydrophobicContact CB-CB 4.44Å; E324-K892 PolarHBondContact O-N 3.24Å; R326-K892 HydrophobicContact CG-CB 4.08Å; K892-E894 IonicContact NZ-OE1 3.74Å; K892-E894 PolarHBondContact NZ-OE1 2.93Å; K892-E894 IonicContact NZ-OE2 2.6Å; K892-E894 PolarHBondContact NZ-OE2 3.25Å |
| 893 | S | 92.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124 | 169.6 | 170.6 | 0 | 0 | 0 | 0 | 108.6 | E318 H851 W882 A891 P896 | E318-S893 WeakPolarHBondContact OE1-CA 3.33Å; E318-S893 VanDerWaalsContact OE1-CB 3.23Å; E318-S893 WeakPolarHBondContact OE1-CB 3.03Å; E318-S893 PolarHBondContact OE1-OG 3.41Å; H851-S893 PolarHBondContact CD2-OG 3.12Å; W882-S893 PolarHBondContact O-N 2.99Å; A891-S893 PolarHBondContact O-N 2.94Å; S893-P896 WeakPolarHBondContact OG-CA 3.38Å; S893-P896 WeakPolarHBondContact OG-CG 3.42Å |
| 894 | E | 88.2 | Confident | 91.8 | Very high | 95 Ų | 95 | 32.4 Ų | 32.4 | 44% | 0.444 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -90.2 | -38.6 | 178.9 | -65.2 | -60.3 | 153.3 | 0 | 0 | 111 | E318 L323 K892 | E318-E894 PolarHBondContact OE2-N 3.18Å; L323-E894 HydrophobicContact CD2-CG 4.21Å; K892-E894 IonicContact NZ-OE1 3.74Å; K892-E894 PolarHBondContact NZ-OE1 2.93Å; K892-E894 IonicContact NZ-OE2 2.6Å; K892-E894 PolarHBondContact NZ-OE2 3.25Å |
| 895 | C | 85.8 | Confident | 92 | Very high | 82 Ų | 82 | 32.3 Ų | 32.3 | 55% | 0.554 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -131.3 | 82.6 | 176.6 | -167.5 | 0 | 0 | 0 | 0 | 110.8 | E318 P897 | E318-C895 PolarHBondContact OE2-N 2.92Å; C895-P897 VanDerWaalsContact O-CD 3.23Å; C895-P897 WeakPolarHBondContact O-CD 3.37Å |
| 896 | P | 90.7 | Very high | 92.1 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 13% | 0.13 | 16% | 0.159 | C | C | . | . | trans | -55.8 | 114.7 | -176.9 | -23 | 30.4 | 0 | 0 | 0 | 111.4 | W629 F835 W882 S893 H898 | W629-P896 HydrophobicContact CH2-CB 4.24Å; W629-P896 HydrophobicContact CH2-CG 4.31Å; F835-P896 HydrophobicContact CE1-CB 4.09Å; F835-P896 HydrophobicContact CZ-CB 3.86Å; W882-P896 HydrophobicContact CB-CB 4.47Å; W882-P896 HydrophobicContact CB-CG 3.67Å; W882-P896 HydrophobicContact CD2-CB 4.33Å; W882-P896 HydrophobicContact CD2-CG 4.14Å; W882-P896 HydrophobicContact CG-CB 4.24Å; W882-P896 HydrophobicContact CG-CG 3.56Å; S893-P896 WeakPolarHBondContact OG-CA 3.38Å; S893-P896 WeakPolarHBondContact OG-CG 3.42Å; P896-H898 PolarHBondContact O-N 3.36Å; P896-H898 PolarHBondContact O-ND1 2.91Å | ||
| 897 | P | 90.7 | Very high | 92.4 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 7% | 0.065 | 16% | 0.162 | C | C | . | . | trans | -81.3 | 47.6 | -171.7 | 34 | -36.2 | 0 | 0 | 0 | 112 | L316 F835 H851 C895 R899 H900 | L316-P897 HydrophobicContact CD2-CB 3.98Å; L316-P897 HydrophobicContact CD2-CG 3.89Å; F835-P897 HydrophobicContact CE2-CG 4.35Å; H851-P897 WeakPolarHBondContact NE2-CD 3.24Å; C895-P897 VanDerWaalsContact O-CD 3.23Å; C895-P897 WeakPolarHBondContact O-CD 3.37Å; P897-R899 PolarHBondContact O-N 2.86Å; P897-H900 PolarHBondContact O-N 2.82Å | ||
| 898 | H | 93.7 | Very high | 92.7 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -55.1 | -28.6 | -174.7 | 69.5 | -75.9 | 0 | 0 | 0 | 113.2 | W629 L832 F835 P896 H900 A901 Y904 | W629-H898 AromaticContact CD1-NE2 3.74Å; W629-H898 AromaticContact CE2-CE1 3.53Å; W629-H898 AromaticContact CE2-CG 4Å; W629-H898 AromaticContact CE2-ND1 3.67Å; W629-H898 AromaticContact CE2-NE2 3.79Å; W629-H898 AromaticContact CZ2-CE1 3.58Å; W629-H898 AromaticContact CZ2-ND1 3.49Å; W629-H898 WeakPolarHBondContact CZ2-ND1 3.23Å; W629-H898 AromaticContact NE1-CD2 3.77Å; W629-H898 AromaticContact NE1-CE1 3.31Å; W629-H898 PolarHBondContact NE1-CE1 3.39Å; W629-H898 VanDerWaalsContact NE1-CE1 3.31Å; W629-H898 AromaticContact NE1-ND1 3.89Å; W629-H898 AromaticContact NE1-NE2 3.22Å; W629-H898 PolarHBondContact NE1-NE2 2.84Å; L832-H898 HydrophobicContact CD2-CB 4.18Å; F835-H898 HydrophobicContact CD1-CB 4.19Å; F835-H898 HydrophobicContact CE1-CB 3.86Å; F835-H898 HydrophobicContact CZ-CB 4.03Å; P896-H898 PolarHBondContact O-N 3.36Å; P896-H898 PolarHBondContact O-ND1 2.91Å; H898-H900 PolarHBondContact O-N 3.42Å; H898-A901 WeakPolarHBondContact O-CB 3.38Å; H898-A901 PolarHBondContact O-N 3.16Å; H898-Y904 WeakPolarHBondContact O-CE1 3.48Å; H898-Y904 VanDerWaalsContact O-CZ 3.24Å; H898-Y904 PolarHBondContact O-OH 3.39Å |
| 899 | R | 93.8 | Very high | 93.2 | Very high | 82 Ų | 82 | 33 Ų | 33 | 31% | 0.309 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -64 | -21.5 | 179 | -64.6 | -176.2 | 171.4 | -162 | -10.7 | 113.8 | R599 D614 I615 E616 P897 | R599-R899 PolarHBondContact NH2-O 2.83Å; D614-R899 HydrophobicContact CB-CB 4.16Å; I615-R899 PolarHBondContact N-O 3.43Å; I615-R899 WeakPolarHBondContact O-CA 3.25Å; E616-R899 IonicContact OE1-NH2 2.85Å; E616-R899 PolarHBondContact OE1-NH2 2.9Å; P897-R899 PolarHBondContact O-N 2.86Å |
| 900 | H | 91 | Very high | 93.6 | Very high | 31 Ų | 31 | 30.1 Ų | 30.1 | 14% | 0.144 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -101.6 | 3.4 | -178.6 | -58 | -65.4 | 0 | 0 | 0 | 113.2 | L316 D614 P897 H898 | L316-H900 HydrophobicContact CD2-CB 3.58Å; L316-H900 HydrophobicContact CG-CB 4.43Å; D614-H900 IonicContact OD1-CE1 2.66Å; D614-H900 PolarHBondContact OD1-CE1 3.04Å; D614-H900 IonicContact OD1-ND1 2.63Å; D614-H900 PolarHBondContact OD1-ND1 3.31Å; D614-H900 IonicContact OD1-NE2 3.27Å; P897-H900 PolarHBondContact O-N 2.82Å; H898-H900 PolarHBondContact O-N 3.42Å |
| 901 | A | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 146.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R599 F835 H898 Y904 | R599-A901 PolarHBondContact NE-O 2.84Å; R599-A901 PolarHBondContact NH2-O 2.93Å; R599-A901 VanDerWaalsContact NH2-O 3.16Å; F835-A901 HydrophobicContact CB-CB 3.71Å; F835-A901 HydrophobicContact CD2-CB 3.65Å; F835-A901 HydrophobicContact CG-CB 3.99Å; H898-A901 WeakPolarHBondContact O-CB 3.38Å; H898-A901 PolarHBondContact O-N 3.16Å; A901-Y904 HydrophobicContact CB-CD1 4.22Å; A901-Y904 HydrophobicContact CB-CD2 4.3Å; A901-Y904 HydrophobicContact CB-CE1 3.76Å; A901-Y904 HydrophobicContact CB-CE2 3.83Å; A901-Y904 HydrophobicContact CB-CG 4.48Å; A901-Y904 WeakPolarHBondContact O-CE2 3.4Å |
| 902 | Y | 95.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -46 | 174.6 | 174.6 | -131 | 0 | 0 | 0 | 110.8 | D450 C452 Q596 V597 F600 I836 Y848 | D450-Y902 WeakPolarHBondContact OD1-CE1 3.27Å; D450-Y902 PolarHBondContact OD1-OH 3.19Å; D450-Y902 PolarHBondContact OD2-OH 2.81Å; C452-Y902 HydrophobicContact CB-CE1 4.05Å; Q596-Y902 HydrophobicContact CG-CD2 4.47Å; Q596-Y902 HydrophobicContact CG-CE2 3.79Å; Q596-Y902 PolarHBondContact NE2-OH 3.44Å; V597-Y902 PolarHBondContact N-O 3.03Å; F600-Y902 HydrophobicContact CD2-CD2 4.35Å; F600-Y902 AromaticContact CD2-CE2 3.7Å; F600-Y902 HydrophobicContact CD2-CE2 3.7Å; F600-Y902 AromaticContact CE2-CD2 3.99Å; F600-Y902 HydrophobicContact CE2-CD2 3.99Å; F600-Y902 HydrophobicContact CE2-CE1 4.39Å; F600-Y902 AromaticContact CE2-CE2 3.65Å; F600-Y902 HydrophobicContact CE2-CE2 3.65Å; F600-Y902 AromaticContact CE2-CZ 3.85Å; I836-Y902 PolarHBondContact O-N 2.94Å; Y848-Y902 AromaticContact CE1-CD1 3.91Å; Y848-Y902 HydrophobicContact CE1-CD1 3.91Å; Y848-Y902 HydrophobicContact CE1-CE1 4.31Å |
| 903 | L | 98.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.5 | 173.5 | -58 | 177.5 | 0 | 0 | 0 | 109.7 | A451 C452 I595 Q596 F835 I836 F905 | A451-L903 HydrophobicContact CB-CD1 4.42Å; C452-L903 HydrophobicContact CB-CD1 4.38Å; C452-L903 HydrophobicContact CB-CD2 4.05Å; I595-L903 CarbonylContact O-C 3.46Å; I595-L903 WeakPolarHBondContact O-CA 3.38Å; Q596-L903 HydrophobicContact CB-CD2 3.56Å; Q596-L903 HydrophobicContact CG-CD2 3.73Å; F835-L903 CarbonylContact C-O 3.57Å; F835-L903 VanDerWaalsContact CA-O 3.24Å; F835-L903 WeakPolarHBondContact CA-O 3.39Å; F835-L903 WeakPolarHBondContact CB-O 3.36Å; I836-L903 HydrophobicContact CB-CB 4.23Å; I836-L903 HydrophobicContact CD1-CD1 4.29Å; I836-L903 PolarHBondContact N-O 3.21Å; I836-L903 PolarHBondContact O-N 2.67Å; I836-L903 VanDerWaalsContact O-N 3.09Å; L903-F905 HydrophobicContact CB-CD2 4.49Å; L903-F905 HydrophobicContact CB-CE2 3.69Å; L903-F905 HydrophobicContact CB-CZ 4.21Å; L903-F905 HydrophobicContact CD1-CE2 4.45Å; L903-F905 HydrophobicContact CD1-CZ 4.3Å |
| 904 | Y | 98.6 | Very high | 90 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.9 | 173 | -63.9 | -99.3 | 0 | 0 | 0 | 109.5 | M550 C594 I595 V597 L617 L832 F835 H898 A901 F906 | M550-Y904 HydrophobicContact CE-CD2 3.96Å; M550-Y904 HydrophobicContact CE-CE2 3.98Å; M550-Y904 HydrophobicContact CE-CG 4.3Å; C594-Y904 CarbonylContact C-O 3.5Å; C594-Y904 WeakPolarHBondContact CA-O 3.38Å; I595-Y904 PolarHBondContact N-O 3.32Å; I595-Y904 PolarHBondContact O-N 3.39Å; V597-Y904 HydrophobicContact CG2-CD2 3.83Å; V597-Y904 HydrophobicContact CG2-CE2 3.45Å; V597-Y904 VanDerWaalsContact CG2-CE2 3.45Å; L617-Y904 HydrophobicContact CD1-CD1 4.04Å; L617-Y904 HydrophobicContact CD1-CE1 3.9Å; L832-Y904 HydrophobicContact CD1-CD1 3.8Å; L832-Y904 HydrophobicContact CD1-CG 4.43Å; L832-Y904 HydrophobicContact CD2-CD1 4.47Å; F835-Y904 HydrophobicContact CB-CD1 4.39Å; H898-Y904 WeakPolarHBondContact O-CE1 3.48Å; H898-Y904 VanDerWaalsContact O-CZ 3.24Å; H898-Y904 PolarHBondContact O-OH 3.39Å; A901-Y904 HydrophobicContact CB-CD1 4.22Å; A901-Y904 HydrophobicContact CB-CD2 4.3Å; A901-Y904 HydrophobicContact CB-CE1 3.76Å; A901-Y904 HydrophobicContact CB-CE2 3.83Å; A901-Y904 HydrophobicContact CB-CG 4.48Å; A901-Y904 WeakPolarHBondContact O-CE2 3.4Å; Y904-F906 HydrophobicContact CD1-CZ 4.29Å; Y904-F906 HydrophobicContact CG-CE2 4.22Å; Y904-F906 HydrophobicContact CG-CZ 4.32Å |
| 905 | F | 98.5 | Very high | 88.1 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121.1 | 177.9 | -62.4 | -99 | 0 | 0 | 0 | 109.3 | V349 L455 M480 L593 C594 F833 A834 I836 L903 | V349-F905 HydrophobicContact CB-CE2 4.4Å; V349-F905 HydrophobicContact CB-CZ 4.43Å; V349-F905 HydrophobicContact CG1-CB 4.2Å; V349-F905 HydrophobicContact CG1-CD1 3.54Å; V349-F905 HydrophobicContact CG1-CD2 3.68Å; V349-F905 HydrophobicContact CG1-CE1 3.68Å; V349-F905 HydrophobicContact CG1-CE2 3.83Å; V349-F905 HydrophobicContact CG1-CG 3.53Å; V349-F905 HydrophobicContact CG1-CZ 3.82Å; V349-F905 HydrophobicContact CG2-CD2 4.37Å; V349-F905 HydrophobicContact CG2-CE2 4.24Å; L455-F905 HydrophobicContact CD2-CE1 3.91Å; L455-F905 HydrophobicContact CD2-CZ 3.89Å; M480-F905 HydrophobicContact CE-CD1 4.33Å; M480-F905 HydrophobicContact CE-CE1 4.19Å; L593-F905 WeakPolarHBondContact O-CA 3.46Å; C594-F905 HydrophobicContact CB-CD1 4.04Å; C594-F905 HydrophobicContact CB-CE1 3.94Å; C594-F905 WeakPolarHBondContact SG-CE1 3.08Å; F833-F905 HydrophobicContact CD1-CB 4.35Å; F833-F905 WeakPolarHBondContact CD1-O 3.35Å; F833-F905 HydrophobicContact CE1-CB 3.61Å; F833-F905 WeakPolarHBondContact CE1-O 3.25Å; F833-F905 HydrophobicContact CE2-CB 4.46Å; F833-F905 HydrophobicContact CZ-CB 3.69Å; F833-F905 PolarHBondContact N-O 2.94Å; F833-F905 VanDerWaalsContact N-O 3.09Å; A834-F905 HydrophobicContact CB-CB 4.07Å; A834-F905 PolarHBondContact N-O 3.18Å; A834-F905 WeakPolarHBondContact O-CA 3.38Å; A834-F905 WeakPolarHBondContact O-CB 3.48Å; A834-F905 PolarHBondContact O-N 2.8Å; A834-F905 VanDerWaalsContact O-O 3.13Å; I836-F905 HydrophobicContact CD1-CE2 3.87Å; I836-F905 HydrophobicContact CD1-CZ 4.2Å; I836-F905 HydrophobicContact CG1-CE2 3.96Å; L903-F905 HydrophobicContact CB-CD2 4.49Å; L903-F905 HydrophobicContact CB-CE2 3.69Å; L903-F905 HydrophobicContact CB-CZ 4.21Å; L903-F905 HydrophobicContact CD1-CE2 4.45Å; L903-F905 HydrophobicContact CD1-CZ 4.3Å |
| 906 | F | 98.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 150.6 | -177.4 | -57.6 | -97.6 | 0 | 0 | 0 | 112.1 | Y592 L593 I595 L617 I631 Y830 E831 L832 F833 Y904 | Y592-F906 CarbonylContact C-O 3.59Å; Y592-F906 WeakPolarHBondContact CA-O 3.41Å; L593-F906 PolarHBondContact N-O 2.83Å; L593-F906 PolarHBondContact O-N 3.2Å; I595-F906 HydrophobicContact CB-CE2 4.38Å; I595-F906 HydrophobicContact CD1-CD2 4.18Å; I595-F906 HydrophobicContact CD1-CE2 3.77Å; I595-F906 HydrophobicContact CG1-CD2 4.3Å; I595-F906 HydrophobicContact CG1-CE2 4.11Å; L617-F906 HydrophobicContact CD1-CE1 4.45Å; L617-F906 HydrophobicContact CD1-CZ 4.38Å; L617-F906 HydrophobicContact CD2-CE1 4.47Å; L617-F906 HydrophobicContact CD2-CZ 4.12Å; I631-F906 HydrophobicContact CB-CE1 4.46Å; I631-F906 HydrophobicContact CD1-CD1 3.97Å; I631-F906 HydrophobicContact CD1-CD2 3.79Å; I631-F906 HydrophobicContact CD1-CE1 3.96Å; I631-F906 HydrophobicContact CD1-CE2 3.75Å; I631-F906 HydrophobicContact CD1-CG 3.91Å; I631-F906 HydrophobicContact CD1-CZ 3.86Å; I631-F906 HydrophobicContact CG1-CD1 3.97Å; I631-F906 HydrophobicContact CG1-CE1 4Å; I631-F906 HydrophobicContact CG1-CG 4.34Å; I631-F906 HydrophobicContact CG1-CZ 4.35Å; I631-F906 HydrophobicContact CG2-CE1 3.76Å; I631-F906 HydrophobicContact CG2-CZ 3.84Å; Y830-F906 HydrophobicContact CD1-CB 3.92Å; Y830-F906 HydrophobicContact CG-CB 4.25Å; E831-F906 CarbonylContact O-C 3.58Å; E831-F906 WeakPolarHBondContact O-CA 3.31Å; E831-F906 WeakPolarHBondContact O-CB 3.42Å; L832-F906 HydrophobicContact CB-CD1 3.93Å; L832-F906 HydrophobicContact CB-CE1 3.79Å; L832-F906 HydrophobicContact CD1-CD1 4.05Å; L832-F906 HydrophobicContact CD1-CE1 3.72Å; L832-F906 HydrophobicContact CD1-CE2 4.24Å; L832-F906 HydrophobicContact CD1-CG 4.4Å; L832-F906 HydrophobicContact CD1-CZ 3.82Å; L832-F906 HydrophobicContact CG-CE1 4.36Å; F833-F906 VanDerWaalsContact CD1-C 3.5Å; F833-F906 VanDerWaalsContact CE1-C 3.5Å; Y904-F906 HydrophobicContact CD1-CZ 4.29Å; Y904-F906 HydrophobicContact CG-CE2 4.22Å; Y904-F906 HydrophobicContact CG-CZ 4.32Å |
| 907 | R | 96.7 | Very high | 85.8 | Confident | 40 Ų | 40 | 43.2 Ų | 43.2 | 15% | 0.151 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.7 | 169.2 | -176.8 | -173.9 | 60.5 | 179.1 | 5 | 109.4 | Y592 Y830 E831 F833 F856 A911 D913 | Y592-R907 HydrophobicContact CD1-CB 4.06Å; Y592-R907 HydrophobicContact CD1-CG 4.25Å; Y592-R907 HydrophobicContact CE1-CB 3.97Å; Y592-R907 HydrophobicContact CE1-CG 3.89Å; Y830-R907 CarbonylContact C-O 3.35Å; Y830-R907 VanDerWaalsContact CA-O 3.24Å; Y830-R907 WeakPolarHBondContact CA-O 3.45Å; Y830-R907 VanDerWaalsContact CD1-C 3.46Å; E831-R907 HydrophobicContact CG-CB 4.31Å; E831-R907 PolarHBondContact N-O 3.24Å; E831-R907 PolarHBondContact O-N 3.09Å; E831-R907 IonicContact OE1-CZ 3.46Å; E831-R907 IonicContact OE1-NE 3.93Å; E831-R907 PolarHBondContact OE1-NE 2.83Å; E831-R907 IonicContact OE1-NH2 2.65Å; E831-R907 PolarHBondContact OE1-NH2 3.3Å; F833-R907 HydrophobicContact CD1-CB 4.1Å; F856-R907 HydrophobicContact CE1-CB 3.88Å; F856-R907 HydrophobicContact CE1-CG 4.29Å; F856-R907 HydrophobicContact CZ-CB 4.08Å; F856-R907 VanDerWaalsContact CZ-CZ 3.47Å; R907-A911 HydrophobicContact CG-CB 4.22Å; R907-D913 IonicContact CZ-OD2 2.65Å; R907-D913 IonicContact NH1-OD1 2.92Å; R907-D913 PolarHBondContact NH1-OD1 2.85Å; R907-D913 IonicContact NH1-OD2 3.9Å; R907-D913 PolarHBondContact NH1-OD2 3.07Å |
| 908 | R | 96.3 | Very high | 85.6 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 5% | 0.053 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 134.2 | 174 | -147.2 | 176.7 | 65.1 | -134.7 | -10.1 | 110 | F589 P590 N591 S827 K829 Y830 D910 A911 | F589-R908 PolarHBondContact O-NH1 2.73Å; P590-R908 PolarHBondContact O-NH1 3.06Å; N591-R908 PolarHBondContact O-N 3Å; N591-R908 VanDerWaalsContact OD1-CZ 3.26Å; N591-R908 PolarHBondContact OD1-NH1 2.83Å; N591-R908 PolarHBondContact OD1-NH2 2.86Å; S827-R908 WeakPolarHBondContact O-CD 3.4Å; S827-R908 VanDerWaalsContact O-CG 3.24Å; S827-R908 WeakPolarHBondContact O-CG 3.39Å; K829-R908 WeakPolarHBondContact O-CA 3.47Å; Y830-R908 HydrophobicContact CD1-CB 3.98Å; Y830-R908 HydrophobicContact CD1-CG 4.31Å; Y830-R908 VanDerWaalsContact CD1-N 3.28Å; Y830-R908 HydrophobicContact CD2-CG 4.31Å; Y830-R908 HydrophobicContact CE1-CB 3.7Å; Y830-R908 HydrophobicContact CE1-CG 3.91Å; Y830-R908 HydrophobicContact CE2-CG 3.91Å; Y830-R908 HydrophobicContact CG-CG 4.49Å; R908-D910 WeakPolarHBondContact CD-OD1 3.15Å; R908-D910 WeakPolarHBondContact CG-OD1 3.12Å; R908-D910 IonicContact CZ-OD1 3.15Å; R908-D910 IonicContact CZ-OD2 2.72Å; R908-D910 IonicContact NE-OD1 3.57Å; R908-D910 PolarHBondContact NE-OD1 2.99Å; R908-D910 IonicContact NE-OD2 2.71Å; R908-D910 PolarHBondContact NE-OD2 3.13Å; R908-D910 IonicContact NH2-OD1 2.7Å; R908-D910 IonicContact NH2-OD2 2.9Å; R908-D910 PolarHBondContact O-N 2.75Å; R908-A911 HydrophobicContact CB-CB 4.05Å; R908-A911 VanDerWaalsContact O-CB 3.31Å; R908-A911 WeakPolarHBondContact O-CB 3.27Å; R908-A911 PolarHBondContact O-N 3.16Å |
| 909 | L | 93.4 | Very high | 85.1 | Confident | 81 Ų | 81 | 46.5 Ų | 46.5 | 42% | 0.424 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27 | -171.9 | -68.9 | -177.3 | 0 | 0 | 0 | 114.6 | F630 K829 E831 | F630-L909 HydrophobicContact CD1-CD1 4.4Å; F630-L909 HydrophobicContact CD1-CD2 4.04Å; F630-L909 HydrophobicContact CE1-CD2 3.81Å; K829-L909 HydrophobicContact CB-CD1 3.64Å; K829-L909 HydrophobicContact CB-CG 4.11Å; K829-L909 HydrophobicContact CD-CD1 4.35Å; K829-L909 PolarHBondContact O-N 2.92Å; E831-L909 HydrophobicContact CB-CD2 3.78Å; E831-L909 HydrophobicContact CG-CD2 4.14Å |
| 910 | D | 93.6 | Very high | 84.6 | Confident | 77 Ų | 77 | 44.4 Ų | 44.4 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -5 | 176.6 | 63.6 | -41.4 | 0 | 0 | 0 | 113.1 | S827 R908 T912 | S827-D910 WeakPolarHBondContact CB-OD1 3.47Å; S827-D910 PolarHBondContact N-OD1 2.78Å; S827-D910 PolarHBondContact N-OD2 2.89Å; S827-D910 PolarHBondContact OG-OD1 3.16Å; R908-D910 WeakPolarHBondContact CD-OD1 3.15Å; R908-D910 WeakPolarHBondContact CG-OD1 3.12Å; R908-D910 IonicContact CZ-OD1 3.15Å; R908-D910 IonicContact CZ-OD2 2.72Å; R908-D910 IonicContact NE-OD1 3.57Å; R908-D910 PolarHBondContact NE-OD1 2.99Å; R908-D910 IonicContact NE-OD2 2.71Å; R908-D910 PolarHBondContact NE-OD2 3.13Å; R908-D910 IonicContact NH2-OD1 2.7Å; R908-D910 IonicContact NH2-OD2 2.9Å; R908-D910 PolarHBondContact O-N 2.75Å; D910-T912 PolarHBondContact O-N 3.13Å |
| 911 | A | 91.2 | Very high | 84.2 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -74 | 116.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | N591 R907 R908 | N591-A911 HydrophobicContact CB-CB 4.01Å; R907-A911 HydrophobicContact CG-CB 4.22Å; R908-A911 HydrophobicContact CB-CB 4.05Å; R908-A911 VanDerWaalsContact O-CB 3.31Å; R908-A911 WeakPolarHBondContact O-CB 3.27Å; R908-A911 PolarHBondContact O-N 3.16Å |
| 912 | T | 77.3 | Confident | 83.5 | Confident | 119 Ų | 119 | 48.3 Ų | 48.3 | 73% | 0.73 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 131.6 | 169.6 | 53.3 | 0 | 0 | 0 | 0 | 109.4 | D910 | D910-T912 PolarHBondContact O-N 3.13Š|
| 913 | D | 67.2 | Low | 82.7 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -60 | 143.5 | 161.9 | -64.7 | -30.5 | 0 | 0 | 0 | 108.1 | Y592 R907 S915 | Y592-D913 PolarHBondContact OH-OD1 3.2Å; Y592-D913 VanDerWaalsContact OH-OD1 3.07Å; R907-D913 IonicContact CZ-OD2 2.65Å; R907-D913 IonicContact NH1-OD1 2.92Å; R907-D913 PolarHBondContact NH1-OD1 2.85Å; R907-D913 IonicContact NH1-OD2 3.9Å; R907-D913 PolarHBondContact NH1-OD2 3.07Å; D913-S915 PolarHBondContact O-N 3.01Å; D913-S915 VanDerWaalsContact O-N 3.1Å |
| 914 | Q | 58.2 | Low | 81.5 | Confident | 112 Ų | 112 | 55.5 Ų | 55.5 | 52% | 0.523 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -60 | 119.3 | 157.7 | -72.5 | -173 | -12.8 | 0 | 0 | 105 | S358 D916 | S358-Q914 PolarHBondContact OG-OE1 2.75Å; Q914-D916 PolarHBondContact O-N 3.21Å |
| 915 | S | 48.2 | Very low | 80.1 | Confident | 117 Ų | 117 | 60.1 Ų | 60.1 | 82% | 0.818 | 33% | 0.333 | S | S | * | . | trans | -54.6 | 113.4 | 178.3 | 53.2 | 0 | 0 | 0 | 0 | 108.4 | D913 | D913-S915 PolarHBondContact O-N 3.01Å; D913-S915 VanDerWaalsContact O-N 3.1Å | ||
| 916 | D | 42.7 | Very low | 78.4 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 49% | 0.492 | 36% | 0.362 | S | S | . | . | trans | -57 | 0 | 171.1 | -77.2 | -17.5 | 0 | 0 | 0 | 111.4 | R357 Y362 Q914 | R357-D916 IonicContact CZ-OD2 3.6Å; R357-D916 IonicContact NE-OD1 2.77Å; R357-D916 IonicContact NE-OD2 2.67Å; R357-D916 IonicContact NH2-OD1 3.99Å; R357-D916 PolarHBondContact NH2-OD1 2.92Å; R357-D916 IonicContact NH2-OD2 3.82Å; R357-D916 PolarHBondContact NH2-OD2 3.36Å; Y362-D916 PolarHBondContact OH-OD1 3.45Å; Q914-D916 PolarHBondContact O-N 3.21Å |
Retrieved 916 of 916 residues in 259.1 ms
(Link to these results)