| 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 | 65.5 | Low | 92 | Very high | 93 Ų | 93 | 21.3 Ų | 21.3 | 46% | 0.458 | 11% | 0.108 | S | C | . | . | 0 | 146 | 0 | -163.6 | 174.7 | -88.4 | 0 | 0 | 108.5 | E39 A273 | M1-E39 HydrophobicContact CB-CB 3.98Å; M1-E39 HydrophobicContact CE-CB 3.62Å; M1-E39 HydrophobicContact CG-CB 4.38Å; M1-E39 HydrophobicContact SD-CB 3.45Å; M1-E39 WeakPolarHBondContact SD-CB 3.49Å; M1-A273 VanDerWaalsContact CG-O 3.28Å; M1-A273 WeakPolarHBondContact CG-O 3.22Å | |||
| 2 | T | 83.8 | Confident | 92.1 | Very high | 29 Ų | 29 | 21.6 Ų | 21.6 | 18% | 0.178 | 11% | 0.113 | C | C | . | . | trans | -72.9 | 151.4 | -177.8 | 46 | 0 | 0 | 0 | 0 | 111.9 | Q139 | T2-Q139 HydrophobicContact CG2-CB 3.92Å; T2-Q139 HydrophobicContact CG2-CG 4.26Å; T2-Q139 PolarHBondContact OG1-OE1 3.26Å | ||
| 3 | Q | 92.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 3% | 0.033 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.1 | 179.4 | -65.9 | 147.8 | -16.3 | 0 | 0 | 109.8 | S43 C135 D136 C137 Q139 | Q3-S43 WeakPolarHBondContact CA-O 3.38Å; Q3-C135 HydrophobicContact CB-CB 4.09Å; Q3-C135 VanDerWaalsContact OE1-CB 3.23Å; Q3-D136 PolarHBondContact NE2-OD2 3.06Å; Q3-C137 PolarHBondContact N-O 3.31Å; Q3-Q139 PolarHBondContact O-N 3.43Å |
| 4 | S | 94.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 3% | 0.028 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 144.5 | -179.4 | -50.4 | 0 | 0 | 0 | 0 | 110.5 | S43 C140 | S4-S43 PolarHBondContact N-O 3.21Å; S4-C140 WeakPolarHBondContact CA-O 3.3Å; S4-C140 PolarHBondContact OG-SG 2.69Å; S4-C140 VanDerWaalsContact OG-SG 3.33Å |
| 5 | V | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.6 | 174.9 | 175.3 | 0 | 0 | 0 | 0 | 108.5 | V7 L138 C140 F141 F142 | V5-V7 HydrophobicContact CG1-CG2 4.35Å; V5-L138 HydrophobicContact CB-CD1 4.43Å; V5-L138 HydrophobicContact CG2-CD1 3.83Å; V5-C140 PolarHBondContact N-O 3.17Å; V5-F141 HydrophobicContact CB-CD1 3.75Å; V5-F141 HydrophobicContact CB-CE1 3.86Å; V5-F141 HydrophobicContact CG1-CD1 3.98Å; V5-F141 HydrophobicContact CG1-CE1 4.02Å; V5-F141 HydrophobicContact CG2-CE1 4.31Å; V5-F141 WeakPolarHBondContact O-CA 3.38Å; V5-F142 PolarHBondContact O-N 3.46Å |
| 6 | V | 97.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 118.6 | 178.2 | -171.9 | 0 | 0 | 0 | 0 | 109.5 | Q8 F20 W21 F44 R70 A71 V72 F142 I144 | V6-Q8 HydrophobicContact CG1-CG 4.07Å; V6-F20 HydrophobicContact CG2-CE1 4.07Å; V6-W21 HydrophobicContact CB-CZ2 3.83Å; V6-W21 HydrophobicContact CG2-CH2 4.16Å; V6-W21 HydrophobicContact CG2-CZ2 3.87Å; V6-F44 HydrophobicContact CG2-CD1 4.01Å; V6-F44 HydrophobicContact CG2-CE1 3.94Å; V6-R70 PolarHBondContact N-O 3.13Å; V6-A71 VanDerWaalsContact O-CA 3.24Å; V6-A71 WeakPolarHBondContact O-CA 3.45Å; V6-V72 PolarHBondContact O-N 3.08Å; V6-F142 CarbonylContact C-O 3.58Å; V6-F142 WeakPolarHBondContact CA-O 3.47Å; V6-F142 HydrophobicContact CB-CB 4.48Å; V6-F142 HydrophobicContact CG1-CB 4.27Å; V6-F142 HydrophobicContact CG2-CB 4.26Å; V6-F142 HydrophobicContact CG2-CD2 4.49Å; V6-I144 HydrophobicContact CG1-CD1 3.66Å; V6-I144 HydrophobicContact CG1-CG1 4.22Å |
| 7 | V | 98.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.9 | 177.7 | -169.8 | 0 | 0 | 0 | 0 | 108.6 | V5 V9 V72 I74 L128 F141 F142 I143 I144 L159 | V5-V7 HydrophobicContact CG1-CG2 4.35Å; V7-V9 HydrophobicContact CG1-CG2 3.95Å; V7-V72 WeakPolarHBondContact CA-O 3.21Å; V7-V72 HydrophobicContact CG1-CB 4.45Å; V7-I74 HydrophobicContact CG1-CD1 4.02Å; V7-L128 HydrophobicContact CG2-CD2 3.6Å; V7-F141 HydrophobicContact CG2-CD1 4.29Å; V7-F142 PolarHBondContact N-O 3.45Å; V7-I143 HydrophobicContact CB-CG1 4.49Å; V7-I143 WeakPolarHBondContact O-CA 3.1Å; V7-I144 PolarHBondContact O-N 3.13Å; V7-L159 HydrophobicContact CG1-CD1 4.03Å |
| 8 | Q | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.1 | -174.3 | -60.2 | 178 | -5.5 | 0 | 0 | 108.5 | V6 N14 W21 V72 L73 I74 | V6-Q8 HydrophobicContact CG1-CG 4.07Å; Q8-N14 WeakPolarHBondContact CB-OD1 3.41Å; Q8-N14 PolarHBondContact O-OD1 3.23Å; Q8-W21 VanDerWaalsContact NE2-CD1 3.31Å; Q8-V72 PolarHBondContact N-O 3.19Å; Q8-L73 HydrophobicContact CB-CG 4.45Å; Q8-I74 PolarHBondContact O-N 2.96Å |
| 9 | V | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 123.6 | -168.6 | -165.3 | 0 | 0 | 0 | 0 | 111.8 | V7 I74 I143 I144 H145 T151 L155 L159 | V7-V9 HydrophobicContact CG1-CG2 3.95Å; V9-I74 WeakPolarHBondContact CA-O 3.33Å; V9-I74 HydrophobicContact CG1-CB 4.35Å; V9-I74 HydrophobicContact CG1-CG2 4.4Å; V9-I143 HydrophobicContact CG2-CG2 4.45Å; V9-I144 PolarHBondContact N-O 3Å; V9-H145 HydrophobicContact CB-CB 4.2Å; V9-T151 HydrophobicContact CG1-CG2 4.38Å; V9-L155 HydrophobicContact CG1-CB 4.26Å; V9-L155 HydrophobicContact CG1-CG 4.5Å; V9-L159 HydrophobicContact CG1-CD1 4.48Å; V9-L159 HydrophobicContact CG2-CD1 3.56Å |
| 10 | G | 95.4 | Very high | 93 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | 69.3 | 173.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C12 G13 N14 I74 D75 | G10-C12 VanDerWaalsContact C-N 3.33Å; G10-C12 PolarHBondContact O-N 2.78Å; G10-G13 PolarHBondContact O-N 3.11Å; G10-G13 VanDerWaalsContact O-N 3.08Å; G10-N14 PolarHBondContact O-N 3Å; G10-N14 PolarHBondContact O-ND2 3.46Å; G10-I74 PolarHBondContact N-O 2.92Å; G10-D75 VanDerWaalsContact C-OD2 3.26Å; G10-D75 WeakPolarHBondContact CA-OD1 3.43Å |
| 11 | Q | 93 | Very high | 93 | Very high | 97 Ų | 97 | 16.9 Ų | 16.9 | 45% | 0.453 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -46 | -50.9 | -177.9 | 166.2 | 168.8 | -11 | 0 | 0 | 113.9 | Q15 D75 V80 | Q11-Q15 WeakPolarHBondContact O-CB 3.48Å; Q11-Q15 VanDerWaalsContact O-CG 3.22Å; Q11-Q15 WeakPolarHBondContact O-CG 3.48Å; Q11-Q15 PolarHBondContact O-N 2.88Å; Q11-D75 WeakPolarHBondContact CA-OD2 3.31Å; Q11-D75 PolarHBondContact N-OD2 3.44Å; Q11-D75 VanDerWaalsContact N-OD2 3.1Å; Q11-V80 HydrophobicContact CB-CG2 4.13Å; Q11-V80 HydrophobicContact CG-CG2 3.79Å |
| 12 | C | 93.4 | Very high | 94.3 | Very high | 25 Ų | 25 | 14.2 Ų | 14.2 | 17% | 0.169 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | -178.6 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | G10 N14 Q15 I16 | G10-C12 VanDerWaalsContact C-N 3.33Å; G10-C12 PolarHBondContact O-N 2.78Å; C12-N14 PolarHBondContact O-N 3.07Å; C12-Q15 PolarHBondContact O-N 2.98Å; C12-I16 WeakPolarHBondContact O-CG1 3.39Å; C12-I16 PolarHBondContact O-N 3.11Å; C12-I16 VanDerWaalsContact O-N 3.07Å |
| 13 | G | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G10 G17 I144 | G10-G13 PolarHBondContact O-N 3.11Å; G10-G13 VanDerWaalsContact O-N 3.08Å; G13-G17 WeakPolarHBondContact O-CA 3.34Å; G13-G17 PolarHBondContact O-N 3.18Å; G13-I144 WeakPolarHBondContact CA-O 3.45Å |
| 14 | N | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.8 | -37 | 178.6 | -70 | -50.4 | 0 | 0 | 0 | 112.6 | Q8 G10 C12 G17 C18 I74 D75 V80 I84 | Q8-N14 WeakPolarHBondContact CB-OD1 3.41Å; Q8-N14 PolarHBondContact O-OD1 3.23Å; G10-N14 PolarHBondContact O-N 3Å; G10-N14 PolarHBondContact O-ND2 3.46Å; C12-N14 PolarHBondContact O-N 3.07Å; N14-G17 PolarHBondContact O-N 2.91Å; N14-C18 WeakPolarHBondContact O-CB 3.39Å; N14-C18 PolarHBondContact O-N 3.24Å; N14-I74 PolarHBondContact ND2-O 3.35Å; N14-I74 VanDerWaalsContact ND2-O 3.14Å; N14-D75 WeakPolarHBondContact ND2-CB 3.41Å; N14-D75 PolarHBondContact ND2-OD2 2.62Å; N14-V80 HydrophobicContact CB-CG1 3.76Å; N14-I84 HydrophobicContact CB-CD1 4.34Å |
| 15 | Q | 93.8 | Very high | 94.6 | Very high | 35 Ų | 35 | 15.4 Ų | 15.4 | 16% | 0.164 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.5 | -48.1 | 176.1 | -73.5 | 176.6 | 4.9 | 0 | 0 | 112.5 | Q11 C12 G17 C18 C19 V80 | Q11-Q15 WeakPolarHBondContact O-CB 3.48Å; Q11-Q15 VanDerWaalsContact O-CG 3.22Å; Q11-Q15 WeakPolarHBondContact O-CG 3.48Å; Q11-Q15 PolarHBondContact O-N 2.88Å; C12-Q15 PolarHBondContact O-N 2.98Å; Q15-G17 VanDerWaalsContact C-N 3.28Å; Q15-G17 PolarHBondContact O-N 3.3Å; Q15-C18 PolarHBondContact O-N 3.41Å; Q15-C19 PolarHBondContact O-N 2.96Å; Q15-V80 HydrophobicContact CG-CG1 3.84Å; Q15-V80 HydrophobicContact CG-CG2 4.29Å |
| 16 | I | 94.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 175.6 | -68 | 169.6 | 0 | 0 | 0 | 110.1 | C12 C18 C19 F20 I144 I177 N259 V262 | C12-I16 WeakPolarHBondContact O-CG1 3.39Å; C12-I16 PolarHBondContact O-N 3.11Å; C12-I16 VanDerWaalsContact O-N 3.07Å; I16-C18 PolarHBondContact O-N 3.46Å; I16-C19 WeakPolarHBondContact O-CB 3.4Å; I16-C19 PolarHBondContact O-N 3.33Å; I16-F20 PolarHBondContact O-N 3.22Å; I16-I144 HydrophobicContact CB-CG2 4.08Å; I16-I144 HydrophobicContact CD1-CG2 4.39Å; I16-I144 HydrophobicContact CG2-CG2 3.86Å; I16-I177 HydrophobicContact CD1-CD1 3.39Å; I16-I177 HydrophobicContact CD1-CG1 3.68Å; I16-N259 HydrophobicContact CG1-CB 4.12Å; I16-N259 VanDerWaalsContact CG1-OD1 3.28Å; I16-N259 WeakPolarHBondContact CG1-OD1 3.24Å; I16-V262 HydrophobicContact CD1-CB 4.42Å; I16-V262 HydrophobicContact CD1-CG1 4.21Å; I16-V262 HydrophobicContact CD1-CG2 4.45Å; I16-V262 HydrophobicContact CG2-CB 3.97Å; I16-V262 HydrophobicContact CG2-CG1 3.62Å |
| 17 | G | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -54.8 | -48.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G13 N14 Q15 C19 F20 W21 | G13-G17 WeakPolarHBondContact O-CA 3.34Å; G13-G17 PolarHBondContact O-N 3.18Å; N14-G17 PolarHBondContact O-N 2.91Å; Q15-G17 VanDerWaalsContact C-N 3.28Å; Q15-G17 PolarHBondContact O-N 3.3Å; G17-C19 VanDerWaalsContact C-N 3.32Å; G17-C19 PolarHBondContact O-N 3.22Å; G17-F20 WeakPolarHBondContact O-CB 3.26Å; G17-F20 PolarHBondContact O-N 2.92Å; G17-F20 VanDerWaalsContact O-N 3.14Å; G17-W21 PolarHBondContact O-N 3.36Å |
| 18 | C | 92.4 | Very high | 93.7 | Very high | 38 Ų | 38 | 18.8 Ų | 18.8 | 26% | 0.257 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -57.2 | -44.9 | 176.1 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | N14 Q15 I16 W21 D22 I84 | N14-C18 WeakPolarHBondContact O-CB 3.39Å; N14-C18 PolarHBondContact O-N 3.24Å; Q15-C18 PolarHBondContact O-N 3.41Å; I16-C18 PolarHBondContact O-N 3.46Å; C18-W21 PolarHBondContact O-N 2.99Å; C18-D22 PolarHBondContact O-N 3.16Å; C18-D22 VanDerWaalsContact O-N 3.15Å; C18-I84 HydrophobicContact CB-CD1 4.11Å; C18-I84 HydrophobicContact CB-CG1 4.19Å |
| 19 | C | 91.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 21.5 Ų | 21.5 | 13% | 0.128 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 174.4 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | Q15 I16 G17 W21 D22 L23 N259 A263 | Q15-C19 PolarHBondContact O-N 2.96Å; I16-C19 WeakPolarHBondContact O-CB 3.4Å; I16-C19 PolarHBondContact O-N 3.33Å; G17-C19 VanDerWaalsContact C-N 3.32Å; G17-C19 PolarHBondContact O-N 3.22Å; C19-W21 PolarHBondContact O-N 2.9Å; C19-D22 PolarHBondContact O-N 2.6Å; C19-L23 WeakPolarHBondContact O-CB 3.45Å; C19-L23 VanDerWaalsContact O-CG 3.28Å; C19-L23 WeakPolarHBondContact O-CG 3.32Å; C19-L23 PolarHBondContact O-N 2.94Å; C19-N259 HydrophobicContact CB-CB 4.39Å; C19-A263 HydrophobicContact CB-CB 3.91Å |
| 20 | F | 95.2 | Very high | 93 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.3 | -48.4 | 177.4 | 167.9 | -98.1 | 0 | 0 | 0 | 112.1 | V6 I16 G17 L23 A24 F44 A263 L266 L267 | V6-F20 HydrophobicContact CG2-CE1 4.07Å; I16-F20 PolarHBondContact O-N 3.22Å; G17-F20 WeakPolarHBondContact O-CB 3.26Å; G17-F20 PolarHBondContact O-N 2.92Å; G17-F20 VanDerWaalsContact O-N 3.14Å; F20-L23 PolarHBondContact O-N 3.29Å; F20-A24 VanDerWaalsContact O-CB 3.31Å; F20-A24 WeakPolarHBondContact O-CB 3.2Å; F20-A24 PolarHBondContact O-N 2.98Å; F20-F44 HydrophobicContact CE2-CE2 4.44Å; F20-F44 HydrophobicContact CZ-CD1 4.28Å; F20-F44 AromaticContact CZ-CD2 3.99Å; F20-F44 HydrophobicContact CZ-CD2 3.99Å; F20-F44 HydrophobicContact CZ-CE1 4.04Å; F20-F44 AromaticContact CZ-CE2 3.72Å; F20-F44 HydrophobicContact CZ-CE2 3.72Å; F20-F44 HydrophobicContact CZ-CG 4.27Å; F20-F44 AromaticContact CZ-CZ 3.77Å; F20-F44 HydrophobicContact CZ-CZ 3.77Å; F20-A263 HydrophobicContact CB-CB 4.11Å; F20-L266 HydrophobicContact CD2-CB 3.72Å; F20-L266 HydrophobicContact CD2-CD1 4.18Å; F20-L266 HydrophobicContact CE2-CB 3.84Å; F20-L266 HydrophobicContact CG-CD1 4.5Å; F20-L267 HydrophobicContact CD2-CD2 4.12Å; F20-L267 HydrophobicContact CD2-CG 4.24Å; F20-L267 HydrophobicContact CE2-CD2 3.8Å; F20-L267 HydrophobicContact CE2-CG 4.28Å |
| 21 | W | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | -178.8 | -69.1 | 117.5 | 0 | 0 | 0 | 112.9 | V6 Q8 G17 C18 C19 A24 L25 F44 F45 A69 A71 L89 F93 | V6-W21 HydrophobicContact CB-CZ2 3.83Å; V6-W21 HydrophobicContact CG2-CH2 4.16Å; V6-W21 HydrophobicContact CG2-CZ2 3.87Å; Q8-W21 VanDerWaalsContact NE2-CD1 3.31Å; G17-W21 PolarHBondContact O-N 3.36Å; C18-W21 PolarHBondContact O-N 2.99Å; C19-W21 PolarHBondContact O-N 2.9Å; W21-A24 PolarHBondContact O-N 2.93Å; W21-L25 WeakPolarHBondContact O-CG 3.26Å; W21-L25 PolarHBondContact O-N 3.35Å; W21-F44 HydrophobicContact CH2-CB 3.95Å; W21-F44 HydrophobicContact CH2-CD1 4.43Å; W21-F44 WeakPolarHBondContact CH2-O 3.3Å; W21-F44 HydrophobicContact CZ3-CB 3.63Å; W21-F44 HydrophobicContact CZ3-CG 4.44Å; W21-F44 WeakPolarHBondContact CZ3-O 3.4Å; W21-F45 HydrophobicContact CE3-CD1 4.4Å; W21-F45 AromaticContact CE3-CE1 3.54Å; W21-F45 HydrophobicContact CE3-CE1 3.54Å; W21-F45 HydrophobicContact CE3-CE2 4.12Å; W21-F45 AromaticContact CE3-CZ 3.39Å; W21-F45 HydrophobicContact CE3-CZ 3.39Å; W21-F45 HydrophobicContact CZ3-CD1 4.2Å; W21-F45 HydrophobicContact CZ3-CD2 4.43Å; W21-F45 AromaticContact CZ3-CE1 3.76Å; W21-F45 HydrophobicContact CZ3-CE1 3.76Å; W21-F45 HydrophobicContact CZ3-CE2 4.02Å; W21-F45 AromaticContact CZ3-CZ 3.69Å; W21-F45 HydrophobicContact CZ3-CZ 3.69Å; W21-A69 HydrophobicContact CD2-CB 4Å; W21-A69 HydrophobicContact CE3-CB 3.8Å; W21-A69 HydrophobicContact CH2-CB 3.67Å; W21-A69 HydrophobicContact CZ2-CB 3.87Å; W21-A69 HydrophobicContact CZ3-CB 3.59Å; W21-A71 HydrophobicContact CH2-CB 4.35Å; W21-A71 HydrophobicContact CZ2-CB 3.48Å; W21-A71 VanDerWaalsContact CZ2-CB 3.48Å; W21-L89 HydrophobicContact CB-CD1 4.11Å; W21-F93 HydrophobicContact CB-CZ 4.15Å; W21-F93 AromaticContact CD1-CE1 3.41Å; W21-F93 VanDerWaalsContact CD1-CE1 3.41Å; W21-F93 AromaticContact CD1-CZ 3.33Å; W21-F93 HydrophobicContact CD2-CE1 4.47Å; W21-F93 HydrophobicContact CG-CE1 4.03Å; W21-F93 AromaticContact CG-CZ 3.82Å; W21-F93 HydrophobicContact CG-CZ 3.82Å; W21-F93 AromaticContact NE1-CE1 3.53Å; W21-F93 AromaticContact NE1-CZ 3.96Å |
| 22 | D | 92.3 | Very high | 92.4 | Very high | 37 Ų | 37 | 24.2 Ų | 24.2 | 20% | 0.198 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 174.3 | 177.3 | 48.4 | 0 | 0 | 0 | 111.4 | C18 C19 L25 R26 L89 | C18-D22 PolarHBondContact O-N 3.16Å; C18-D22 VanDerWaalsContact O-N 3.15Å; C19-D22 PolarHBondContact O-N 2.6Å; D22-L25 PolarHBondContact O-N 2.73Å; D22-R26 VanDerWaalsContact CG-NE 3.26Å; D22-R26 VanDerWaalsContact CG-NH2 3.3Å; D22-R26 VanDerWaalsContact O-CG 3.31Å; D22-R26 WeakPolarHBondContact O-CG 3.49Å; D22-R26 PolarHBondContact O-N 3.12Å; D22-R26 VanDerWaalsContact O-N 3.1Å; D22-R26 IonicContact OD1-CZ 2.84Å; D22-R26 IonicContact OD1-NE 3.69Å; D22-R26 PolarHBondContact OD1-NE 3.25Å; D22-R26 IonicContact OD1-NH2 2.61Å; D22-R26 PolarHBondContact OD1-NH2 3.31Å; D22-R26 IonicContact OD2-CZ 2.63Å; D22-R26 IonicContact OD2-NE 3.68Å; D22-R26 PolarHBondContact OD2-NE 3.36Å; D22-R26 IonicContact OD2-NH1 3.96Å; D22-R26 IonicContact OD2-NH2 3.58Å; D22-R26 PolarHBondContact OD2-NH2 2.85Å; D22-L89 HydrophobicContact CB-CD1 4.08Å |
| 23 | L | 91.3 | Very high | 92.1 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 13% | 0.126 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.5 | -35.9 | -178.7 | -66.7 | 179.1 | 0 | 0 | 0 | 112.5 | C19 F20 L25 R26 E27 A263 N264 L267 | C19-L23 WeakPolarHBondContact O-CB 3.45Å; C19-L23 VanDerWaalsContact O-CG 3.28Å; C19-L23 WeakPolarHBondContact O-CG 3.32Å; C19-L23 PolarHBondContact O-N 2.94Å; F20-L23 PolarHBondContact O-N 3.29Å; L23-L25 PolarHBondContact O-N 2.98Å; L23-R26 PolarHBondContact O-N 2.77Å; L23-E27 VanDerWaalsContact O-CB 3.3Å; L23-E27 WeakPolarHBondContact O-CB 3.5Å; L23-E27 PolarHBondContact O-N 2.89Å; L23-A263 HydrophobicContact CD1-CB 3.79Å; L23-N264 WeakPolarHBondContact CD1-ND2 3.2Å; L23-L267 HydrophobicContact CB-CD1 3.4Å; L23-L267 HydrophobicContact CD1-CD1 4.26Å; L23-L267 HydrophobicContact CG-CD1 4.47Å |
| 24 | A | 93.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F20 W21 E27 H28 F45 L267 | F20-A24 VanDerWaalsContact O-CB 3.31Å; F20-A24 WeakPolarHBondContact O-CB 3.2Å; F20-A24 PolarHBondContact O-N 2.98Å; W21-A24 PolarHBondContact O-N 2.93Å; A24-E27 PolarHBondContact O-N 3.11Å; A24-H28 PolarHBondContact O-N 3Å; A24-F45 HydrophobicContact CB-CE2 4.15Å; A24-F45 HydrophobicContact CB-CZ 4.26Å; A24-L267 HydrophobicContact CB-CD2 3.83Å |
| 25 | L | 92.6 | Very high | 91.2 | Very high | 37 Ų | 37 | 41 Ų | 41 | 19% | 0.194 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 176.7 | -70.9 | 170.3 | 0 | 0 | 0 | 111.7 | W21 D22 L23 E27 H28 A29 I41 F45 L67 L89 V92 | W21-L25 WeakPolarHBondContact O-CG 3.26Å; W21-L25 PolarHBondContact O-N 3.35Å; D22-L25 PolarHBondContact O-N 2.73Å; L23-L25 PolarHBondContact O-N 2.98Å; L25-E27 VanDerWaalsContact C-N 3.34Å; L25-H28 PolarHBondContact O-N 3.14Å; L25-A29 VanDerWaalsContact O-CB 3.29Å; L25-A29 WeakPolarHBondContact O-CB 3.37Å; L25-A29 PolarHBondContact O-N 3.04Å; L25-I41 HydrophobicContact CD2-CD1 4.34Å; L25-F45 HydrophobicContact CD1-CE1 4.43Å; L25-F45 HydrophobicContact CD1-CZ 4.48Å; L25-F45 HydrophobicContact CD2-CD1 4.35Å; L25-F45 HydrophobicContact CD2-CE1 3.71Å; L25-F45 HydrophobicContact CD2-CE2 4.12Å; L25-F45 HydrophobicContact CD2-CZ 3.55Å; L25-F45 HydrophobicContact CG-CE1 4.03Å; L25-F45 HydrophobicContact CG-CZ 3.67Å; L25-L67 HydrophobicContact CD2-CD1 3.74Å; L25-L89 HydrophobicContact CD1-CD2 3.85Å; L25-V92 HydrophobicContact CD1-CG2 4.03Å |
| 26 | R | 90.4 | Very high | 91 | Very high | 59 Ų | 59 | 42.7 Ų | 42.7 | 22% | 0.223 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -41 | 177.5 | -70.3 | 172.7 | -169.5 | -149.7 | 6.2 | 112.2 | D22 L23 A29 A30 G245 | D22-R26 VanDerWaalsContact CG-NE 3.26Å; D22-R26 VanDerWaalsContact CG-NH2 3.3Å; D22-R26 VanDerWaalsContact O-CG 3.31Å; D22-R26 WeakPolarHBondContact O-CG 3.49Å; D22-R26 PolarHBondContact O-N 3.12Å; D22-R26 VanDerWaalsContact O-N 3.1Å; D22-R26 IonicContact OD1-CZ 2.84Å; D22-R26 IonicContact OD1-NE 3.69Å; D22-R26 PolarHBondContact OD1-NE 3.25Å; D22-R26 IonicContact OD1-NH2 2.61Å; D22-R26 PolarHBondContact OD1-NH2 3.31Å; D22-R26 IonicContact OD2-CZ 2.63Å; D22-R26 IonicContact OD2-NE 3.68Å; D22-R26 PolarHBondContact OD2-NE 3.36Å; D22-R26 IonicContact OD2-NH1 3.96Å; D22-R26 IonicContact OD2-NH2 3.58Å; D22-R26 PolarHBondContact OD2-NH2 2.85Å; L23-R26 PolarHBondContact O-N 2.77Å; R26-A29 PolarHBondContact O-N 3Å; R26-A30 WeakPolarHBondContact O-CB 3.09Å; R26-A30 PolarHBondContact O-N 2.98Å; R26-G245 PolarHBondContact NH2-O 2.89Å |
| 27 | E | 91 | Very high | 90.8 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 178.1 | -171.6 | 175.9 | -124.3 | 0 | 0 | 111.5 | L23 A24 L25 A30 V31 R274 F275 R351 V390 | L23-E27 VanDerWaalsContact O-CB 3.3Å; L23-E27 WeakPolarHBondContact O-CB 3.5Å; L23-E27 PolarHBondContact O-N 2.89Å; A24-E27 PolarHBondContact O-N 3.11Å; L25-E27 VanDerWaalsContact C-N 3.34Å; E27-A30 PolarHBondContact O-N 3.48Å; E27-V31 WeakPolarHBondContact O-CG2 3.21Å; E27-R274 IonicContact OE2-CZ 3.47Å; E27-R274 IonicContact OE2-NH1 3.88Å; E27-R274 PolarHBondContact OE2-NH1 2.92Å; E27-R274 IonicContact OE2-NH2 2.73Å; E27-R274 PolarHBondContact OE2-NH2 2.94Å; E27-F275 HydrophobicContact CG-CE2 3.93Å; E27-F275 HydrophobicContact CG-CZ 3.93Å; E27-F275 WeakPolarHBondContact OE2-CE2 3.38Å; E27-R351 IonicContact OE1-CZ 3.59Å; E27-R351 IonicContact OE1-NH1 2.74Å; E27-R351 PolarHBondContact OE1-NH1 3.49Å; E27-R351 IonicContact OE1-NH2 3.25Å; E27-R351 PolarHBondContact OE1-NH2 2.85Å; E27-V390 HydrophobicContact CB-CG2 4.08Å; E27-V390 HydrophobicContact CG-CG2 4.36Å |
| 28 | H | 91.6 | Very high | 90.6 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.046 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 174 | -174.7 | -96.6 | 0 | 0 | 0 | 112.3 | A24 L25 A30 V31 N32 D38 I41 | A24-H28 PolarHBondContact O-N 3Å; L25-H28 PolarHBondContact O-N 3.14Å; H28-A30 PolarHBondContact O-N 3.35Å; H28-V31 PolarHBondContact O-N 2.81Å; H28-N32 PolarHBondContact CE1-ND2 3.03Å; H28-N32 PolarHBondContact O-N 2.86Å; H28-D38 IonicContact CD2-OD1 2.78Å; H28-D38 IonicContact CD2-OD2 3.35Å; H28-D38 IonicContact CE1-OD1 2.89Å; H28-D38 IonicContact CE1-OD2 3.01Å; H28-D38 IonicContact NE2-OD1 3.43Å; H28-D38 PolarHBondContact NE2-OD1 3.47Å; H28-D38 IonicContact NE2-OD2 3.31Å; H28-D38 PolarHBondContact NE2-OD2 3.09Å; H28-I41 HydrophobicContact CB-CD1 4.21Å |
| 29 | A | 90.6 | Very high | 90.3 | Very high | 58 Ų | 58 | 50 Ų | 50 | 48% | 0.479 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.1 | -30.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | L25 R26 V31 | L25-A29 VanDerWaalsContact O-CB 3.29Å; L25-A29 WeakPolarHBondContact O-CB 3.37Å; L25-A29 PolarHBondContact O-N 3.04Å; R26-A29 PolarHBondContact O-N 3Å; A29-V31 VanDerWaalsContact C-N 3.29Å; A29-V31 PolarHBondContact O-N 2.92Å |
| 30 | A | 89.1 | Confident | 90.1 | Very high | 60 Ų | 60 | 49.6 Ų | 49.6 | 50% | 0.496 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.1 | -31.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R26 E27 H28 V390 | R26-A30 WeakPolarHBondContact O-CB 3.09Å; R26-A30 PolarHBondContact O-N 2.98Å; E27-A30 PolarHBondContact O-N 3.48Å; H28-A30 PolarHBondContact O-N 3.35Å; A30-V390 HydrophobicContact CB-CG2 4.06Å |
| 31 | V | 87.5 | Confident | 89.9 | Confident | 70 Ų | 70 | 49.8 Ų | 49.8 | 42% | 0.424 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -90.8 | -45.2 | -178.9 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | E27 H28 A29 F275 I387 | E27-V31 WeakPolarHBondContact O-CG2 3.21Å; H28-V31 PolarHBondContact O-N 2.81Å; A29-V31 VanDerWaalsContact C-N 3.29Å; A29-V31 PolarHBondContact O-N 2.92Å; V31-F275 HydrophobicContact CG2-CE1 4.35Å; V31-I387 HydrophobicContact CG1-CD1 3.7Å; V31-I387 HydrophobicContact CG2-CD1 4.06Å; V31-I387 HydrophobicContact CG2-CG2 3.41Å; V31-I387 VanDerWaalsContact CG2-CG2 3.41Å |
| 32 | N | 88.9 | Confident | 89.8 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | trans | -108.6 | 82.2 | -173.4 | -174.7 | -18.6 | 0 | 0 | 0 | 111.2 | H28 K34 G35 I36 D38 | H28-N32 PolarHBondContact CE1-ND2 3.03Å; H28-N32 PolarHBondContact O-N 2.86Å; N32-K34 PolarHBondContact O-N 3.5Å; N32-K34 PolarHBondContact OD1-N 3.5Å; N32-G35 PolarHBondContact O-N 3.05Å; N32-G35 PolarHBondContact OD1-N 3.22Å; N32-I36 PolarHBondContact ND2-O 2.82Å; N32-I36 PolarHBondContact OD1-N 3.28Å; N32-D38 PolarHBondContact ND2-OD2 3.42Å | ||
| 33 | Q | 86.4 | Confident | 89.7 | Confident | 178 Ų | 178 | 48.9 Ų | 48.9 | 83% | 0.832 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -12.4 | 178.8 | -62.3 | -178.1 | 3.3 | 0 | 0 | 113.7 | G35 | Q33-G35 VanDerWaalsContact C-N 3.31Š|
| 34 | K | 86 | Confident | 89.8 | Confident | 169 Ų | 169 | 47.9 Ų | 47.9 | 74% | 0.735 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -11.9 | -178.6 | -64.8 | 179.5 | -178.6 | 174 | 0 | 112.4 | N32 I36 | N32-K34 PolarHBondContact O-N 3.5Å; N32-K34 PolarHBondContact OD1-N 3.5Å; K34-I36 VanDerWaalsContact C-N 3.3Å; K34-I36 HydrophobicContact CB-CD1 3.72Å; K34-I36 HydrophobicContact CB-CG1 3.82Å; K34-I36 HydrophobicContact CD-CD1 3.96Å; K34-I36 HydrophobicContact CG-CD1 4.49Å; K34-I36 PolarHBondContact O-N 3.47Å |
| 35 | G | 86.6 | Confident | 89.9 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | trans | 63.8 | 36.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N32 Q33 I64 | N32-G35 PolarHBondContact O-N 3.05Å; N32-G35 PolarHBondContact OD1-N 3.22Å; Q33-G35 VanDerWaalsContact C-N 3.31Å; G35-I64 WeakPolarHBondContact O-CG1 3.25Å; G35-I64 PolarHBondContact O-N 3.33Å | ||
| 36 | I | 89.9 | Confident | 89.8 | Confident | 70 Ų | 70 | 46.8 Ų | 46.8 | 36% | 0.359 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 137.3 | 179.1 | -63.2 | 172.2 | 0 | 0 | 0 | 108.6 | N32 K34 D38 | N32-I36 PolarHBondContact ND2-O 2.82Å; N32-I36 PolarHBondContact OD1-N 3.28Å; K34-I36 VanDerWaalsContact C-N 3.3Å; K34-I36 HydrophobicContact CB-CD1 3.72Å; K34-I36 HydrophobicContact CB-CG1 3.82Å; K34-I36 HydrophobicContact CD-CD1 3.96Å; K34-I36 HydrophobicContact CG-CD1 4.49Å; K34-I36 PolarHBondContact O-N 3.47Å; I36-D38 PolarHBondContact O-N 2.89Å |
| 37 | Y | 90.4 | Very high | 89.8 | Confident | 20 Ų | 20 | 44 Ų | 44 | 8% | 0.078 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 117.9 | 171.9 | -172.5 | -108.7 | 0 | 0 | 0 | 109 | I41 S42 F45 N47 G62 L67 | Y37-I41 HydrophobicContact CD2-CG2 3.42Å; Y37-I41 VanDerWaalsContact CD2-CG2 3.42Å; Y37-I41 HydrophobicContact CE2-CG2 3.68Å; Y37-I41 HydrophobicContact CG-CG2 4.29Å; Y37-S42 WeakPolarHBondContact OH-CA 3.34Å; Y37-S42 WeakPolarHBondContact OH-CB 3.48Å; Y37-F45 PolarHBondContact OH-O 3.24Å; Y37-N47 HydrophobicContact CD1-CB 3.97Å; Y37-N47 HydrophobicContact CD2-CB 3.56Å; Y37-N47 HydrophobicContact CE1-CB 4.11Å; Y37-N47 HydrophobicContact CE2-CB 3.71Å; Y37-N47 HydrophobicContact CG-CB 3.68Å; Y37-G62 PolarHBondContact N-O 3.22Å; Y37-L67 HydrophobicContact CD2-CD2 4Å; Y37-L67 HydrophobicContact CE2-CD2 4.07Å |
| 38 | D | 89.8 | Confident | 89.5 | Confident | 52 Ų | 52 | 44.3 Ų | 44.3 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | trans | -126.9 | 178.5 | -176.6 | 61.7 | 20.9 | 0 | 0 | 0 | 111.1 | H28 N32 I36 A40 I41 S42 | H28-D38 IonicContact CD2-OD1 2.78Å; H28-D38 IonicContact CD2-OD2 3.35Å; H28-D38 IonicContact CE1-OD1 2.89Å; H28-D38 IonicContact CE1-OD2 3.01Å; H28-D38 IonicContact NE2-OD1 3.43Å; H28-D38 PolarHBondContact NE2-OD1 3.47Å; H28-D38 IonicContact NE2-OD2 3.31Å; H28-D38 PolarHBondContact NE2-OD2 3.09Å; N32-D38 PolarHBondContact ND2-OD2 3.42Å; I36-D38 PolarHBondContact O-N 2.89Å; D38-A40 VanDerWaalsContact C-N 3.29Å; D38-A40 PolarHBondContact O-N 3.12Å; D38-A40 WeakPolarHBondContact OD1-CB 3.42Å; D38-A40 PolarHBondContact OD1-N 3.48Å; D38-I41 WeakPolarHBondContact O-CG2 3.03Å; D38-I41 WeakPolarHBondContact OD1-CG2 3.46Å; D38-I41 PolarHBondContact OD1-N 3.03Å; D38-I41 VanDerWaalsContact OD1-N 3.08Å; D38-S42 WeakPolarHBondContact O-CB 3.43Å; D38-S42 PolarHBondContact O-N 2.89Å; D38-S42 VanDerWaalsContact O-N 3.1Å | ||
| 39 | E | 86.4 | Confident | 88.9 | Confident | 119 Ų | 119 | 45.1 Ų | 45.1 | 56% | 0.556 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -64.2 | -35.5 | -176.9 | -55.3 | -165.8 | 166.7 | 0 | 0 | 112.2 | M1 I41 S42 S43 | M1-E39 HydrophobicContact CB-CB 3.98Å; M1-E39 HydrophobicContact CE-CB 3.62Å; M1-E39 HydrophobicContact CG-CB 4.38Å; M1-E39 HydrophobicContact SD-CB 3.45Å; M1-E39 WeakPolarHBondContact SD-CB 3.49Å; E39-I41 PolarHBondContact O-N 2.86Å; E39-S42 WeakPolarHBondContact CA-OG 3.31Å; E39-S42 WeakPolarHBondContact O-CB 3.5Å; E39-S42 PolarHBondContact O-N 3.07Å; E39-S42 VanDerWaalsContact O-N 3.13Å; E39-S42 PolarHBondContact O-OG 3.07Å; E39-S43 PolarHBondContact O-N 2.9Å; E39-S43 PolarHBondContact O-OG 2.66Å |
| 40 | A | 88.6 | Confident | 87.9 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D38 S43 R274 F275 | D38-A40 VanDerWaalsContact C-N 3.29Å; D38-A40 PolarHBondContact O-N 3.12Å; D38-A40 WeakPolarHBondContact OD1-CB 3.42Å; D38-A40 PolarHBondContact OD1-N 3.48Å; A40-S43 PolarHBondContact O-OG 3.22Å; A40-R274 WeakPolarHBondContact CA-O 3.46Å; A40-R274 HydrophobicContact CB-CB 4.45Å; A40-R274 WeakPolarHBondContact CB-O 3.48Å; A40-F275 HydrophobicContact CB-CD1 3.81Å; A40-F275 HydrophobicContact CB-CE1 3.79Å |
| 41 | I | 91.3 | Very high | 86.8 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -77.6 | -26.2 | 176.6 | -160.4 | 160.4 | 0 | 0 | 0 | 111.9 | L25 H28 Y37 D38 E39 S43 F44 F45 I64 L67 | L25-I41 HydrophobicContact CD2-CD1 4.34Å; H28-I41 HydrophobicContact CB-CD1 4.21Å; Y37-I41 HydrophobicContact CD2-CG2 3.42Å; Y37-I41 VanDerWaalsContact CD2-CG2 3.42Å; Y37-I41 HydrophobicContact CE2-CG2 3.68Å; Y37-I41 HydrophobicContact CG-CG2 4.29Å; D38-I41 WeakPolarHBondContact O-CG2 3.03Å; D38-I41 WeakPolarHBondContact OD1-CG2 3.46Å; D38-I41 PolarHBondContact OD1-N 3.03Å; D38-I41 VanDerWaalsContact OD1-N 3.08Å; E39-I41 PolarHBondContact O-N 2.86Å; I41-S43 PolarHBondContact O-N 3.17Å; I41-F44 PolarHBondContact O-N 2.99Å; I41-F45 HydrophobicContact CD1-CD2 4.32Å; I41-F45 HydrophobicContact CG1-CB 4.07Å; I41-F45 HydrophobicContact CG1-CD2 3.49Å; I41-F45 VanDerWaalsContact CG1-CD2 3.49Å; I41-F45 HydrophobicContact CG1-CE2 4.18Å; I41-F45 HydrophobicContact CG1-CG 4.02Å; I41-F45 WeakPolarHBondContact O-CB 3.24Å; I41-F45 WeakPolarHBondContact O-CD2 3.48Å; I41-F45 PolarHBondContact O-N 2.75Å; I41-I64 HydrophobicContact CD1-CD1 4.21Å; I41-L67 HydrophobicContact CD1-CD1 3.48Å; I41-L67 VanDerWaalsContact CD1-CD1 3.48Å; I41-L67 HydrophobicContact CD1-CD2 4.35Å; I41-L67 HydrophobicContact CG1-CD1 4.37Å |
| 42 | S | 91.4 | Very high | 85.5 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -25.9 | 178.7 | 82 | 0 | 0 | 0 | 0 | 114 | Y37 D38 E39 F44 F45 R70 | Y37-S42 WeakPolarHBondContact OH-CA 3.34Å; Y37-S42 WeakPolarHBondContact OH-CB 3.48Å; D38-S42 WeakPolarHBondContact O-CB 3.43Å; D38-S42 PolarHBondContact O-N 2.89Å; D38-S42 VanDerWaalsContact O-N 3.1Å; E39-S42 WeakPolarHBondContact CA-OG 3.31Å; E39-S42 WeakPolarHBondContact O-CB 3.5Å; E39-S42 PolarHBondContact O-N 3.07Å; E39-S42 VanDerWaalsContact O-N 3.13Å; E39-S42 PolarHBondContact O-OG 3.07Å; S42-F44 PolarHBondContact O-N 3.33Å; S42-F45 WeakPolarHBondContact CA-O 3.46Å; S42-R70 PolarHBondContact O-NE 3Å; S42-R70 VanDerWaalsContact O-NE 3.11Å |
| 43 | S | 91.3 | Very high | 83.5 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -39.1 | 179.6 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | Q3 S4 E39 A40 I41 | Q3-S43 WeakPolarHBondContact CA-O 3.38Å; S4-S43 PolarHBondContact N-O 3.21Å; E39-S43 PolarHBondContact O-N 2.9Å; E39-S43 PolarHBondContact O-OG 2.66Å; A40-S43 PolarHBondContact O-OG 3.22Å; I41-S43 PolarHBondContact O-N 3.17Å |
| 44 | F | 93.3 | Very high | 82.3 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -12.9 | -177.5 | -68.6 | -60 | 0 | 0 | 0 | 114.4 | V6 F20 W21 I41 S42 R70 F142 T270 R274 | V6-F44 HydrophobicContact CG2-CD1 4.01Å; V6-F44 HydrophobicContact CG2-CE1 3.94Å; F20-F44 HydrophobicContact CE2-CE2 4.44Å; F20-F44 HydrophobicContact CZ-CD1 4.28Å; F20-F44 AromaticContact CZ-CD2 3.99Å; F20-F44 HydrophobicContact CZ-CD2 3.99Å; F20-F44 HydrophobicContact CZ-CE1 4.04Å; F20-F44 AromaticContact CZ-CE2 3.72Å; F20-F44 HydrophobicContact CZ-CE2 3.72Å; F20-F44 HydrophobicContact CZ-CG 4.27Å; F20-F44 AromaticContact CZ-CZ 3.77Å; F20-F44 HydrophobicContact CZ-CZ 3.77Å; W21-F44 HydrophobicContact CH2-CB 3.95Å; W21-F44 HydrophobicContact CH2-CD1 4.43Å; W21-F44 WeakPolarHBondContact CH2-O 3.3Å; W21-F44 HydrophobicContact CZ3-CB 3.63Å; W21-F44 HydrophobicContact CZ3-CG 4.44Å; W21-F44 WeakPolarHBondContact CZ3-O 3.4Å; I41-F44 PolarHBondContact O-N 2.99Å; S42-F44 PolarHBondContact O-N 3.33Å; F44-R70 WeakPolarHBondContact O-CB 3.37Å; F44-R70 WeakPolarHBondContact O-CG 3.27Å; F44-R70 PolarHBondContact O-N 3.45Å; F44-F142 HydrophobicContact CE1-CD2 4.23Å; F44-F142 HydrophobicContact CE1-CE2 4.23Å; F44-F142 HydrophobicContact CZ-CE2 4.31Å; F44-T270 HydrophobicContact CE2-CG2 4.17Å; F44-T270 HydrophobicContact CZ-CG2 3.59Å; F44-R274 HydrophobicContact CE2-CG 4.41Å |
| 45 | F | 93.9 | Very high | 80.8 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 148.9 | -176.5 | -57.3 | -94.2 | 0 | 0 | 0 | 112 | W21 A24 L25 Y37 I41 S42 L67 K68 A69 V92 | W21-F45 HydrophobicContact CE3-CD1 4.4Å; W21-F45 AromaticContact CE3-CE1 3.54Å; W21-F45 HydrophobicContact CE3-CE1 3.54Å; W21-F45 HydrophobicContact CE3-CE2 4.12Å; W21-F45 AromaticContact CE3-CZ 3.39Å; W21-F45 HydrophobicContact CE3-CZ 3.39Å; W21-F45 HydrophobicContact CZ3-CD1 4.2Å; W21-F45 HydrophobicContact CZ3-CD2 4.43Å; W21-F45 AromaticContact CZ3-CE1 3.76Å; W21-F45 HydrophobicContact CZ3-CE1 3.76Å; W21-F45 HydrophobicContact CZ3-CE2 4.02Å; W21-F45 AromaticContact CZ3-CZ 3.69Å; W21-F45 HydrophobicContact CZ3-CZ 3.69Å; A24-F45 HydrophobicContact CB-CE2 4.15Å; A24-F45 HydrophobicContact CB-CZ 4.26Å; L25-F45 HydrophobicContact CD1-CE1 4.43Å; L25-F45 HydrophobicContact CD1-CZ 4.48Å; L25-F45 HydrophobicContact CD2-CD1 4.35Å; L25-F45 HydrophobicContact CD2-CE1 3.71Å; L25-F45 HydrophobicContact CD2-CE2 4.12Å; L25-F45 HydrophobicContact CD2-CZ 3.55Å; L25-F45 HydrophobicContact CG-CE1 4.03Å; L25-F45 HydrophobicContact CG-CZ 3.67Å; Y37-F45 PolarHBondContact OH-O 3.24Å; I41-F45 HydrophobicContact CD1-CD2 4.32Å; I41-F45 HydrophobicContact CG1-CB 4.07Å; I41-F45 HydrophobicContact CG1-CD2 3.49Å; I41-F45 VanDerWaalsContact CG1-CD2 3.49Å; I41-F45 HydrophobicContact CG1-CE2 4.18Å; I41-F45 HydrophobicContact CG1-CG 4.02Å; I41-F45 WeakPolarHBondContact O-CB 3.24Å; I41-F45 WeakPolarHBondContact O-CD2 3.48Å; I41-F45 PolarHBondContact O-N 2.75Å; S42-F45 WeakPolarHBondContact CA-O 3.46Å; F45-L67 HydrophobicContact CB-CB 4.43Å; F45-L67 HydrophobicContact CB-CD2 4.08Å; F45-L67 HydrophobicContact CD1-CB 4.18Å; F45-K68 CarbonylContact C-O 3.57Å; F45-K68 WeakPolarHBondContact CA-O 3.18Å; F45-A69 HydrophobicContact CD1-CB 4.3Å; F45-A69 HydrophobicContact CE1-CB 4.33Å; F45-V92 HydrophobicContact CD1-CG1 4.12Å; F45-V92 HydrophobicContact CE1-CG1 3.68Å |
| 46 | R | 91.6 | Very high | 79.4 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 137 | 169.1 | -58 | -178.4 | -60 | 138.7 | -2.5 | 108.6 | V48 L67 K68 R70 D94 H134 | R46-V48 HydrophobicContact CB-CG2 4.09Å; R46-L67 CarbonylContact O-C 3.59Å; R46-L67 VanDerWaalsContact O-CA 3.28Å; R46-L67 WeakPolarHBondContact O-CA 3.2Å; R46-K68 PolarHBondContact N-O 3.38Å; R46-K68 PolarHBondContact O-N 2.83Å; R46-R70 HydrophobicContact CG-CG 4.12Å; R46-D94 IonicContact NH2-OD2 2.74Å; R46-H134 VanDerWaalsContact CZ-ND1 3.3Å; R46-H134 PolarHBondContact NH1-CE1 2.73Å; R46-H134 PolarHBondContact NH1-ND1 3.47Å; R46-H134 PolarHBondContact NH1-NE2 3.14Å |
| 47 | N | 89.7 | Confident | 78 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.3 | 166.6 | -171.6 | 24.3 | 0 | 0 | 0 | 108.6 | Y37 S58 I59 K63 C65 S66 L67 | Y37-N47 HydrophobicContact CD1-CB 3.97Å; Y37-N47 HydrophobicContact CD2-CB 3.56Å; Y37-N47 HydrophobicContact CE1-CB 4.11Å; Y37-N47 HydrophobicContact CE2-CB 3.71Å; Y37-N47 HydrophobicContact CG-CB 3.68Å; N47-S58 CarbonylContact O-C 3.6Å; N47-S58 WeakPolarHBondContact O-CA 3.26Å; N47-S58 PolarHBondContact O-OG 3.47Å; N47-I59 HydrophobicContact CB-CB 4.33Å; N47-I59 WeakPolarHBondContact CB-O 3.41Å; N47-I59 PolarHBondContact O-N 3.3Å; N47-K63 PolarHBondContact ND2-O 3.07Å; N47-C65 PolarHBondContact OD1-N 2.76Å; N47-S66 CarbonylContact C-O 3.52Å; N47-S66 WeakPolarHBondContact CA-O 3.2Å; N47-S66 PolarHBondContact OD1-N 3.38Å; N47-S66 PolarHBondContact OD1-O 2.82Å; N47-L67 HydrophobicContact CB-CD2 4.39Å |
| 48 | V | 86.3 | Confident | 76.9 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -126.2 | 135 | -169.8 | -175 | 0 | 0 | 0 | 0 | 109.4 | R46 T50 S66 K68 | R46-V48 HydrophobicContact CB-CG2 4.09Å; V48-T50 PolarHBondContact O-N 2.75Å; V48-S66 PolarHBondContact N-O 2.82Å; V48-S66 WeakPolarHBondContact O-CB 3.28Å; V48-K68 HydrophobicContact CB-CG 4.41Å; V48-K68 HydrophobicContact CG2-CB 4.07Å; V48-K68 HydrophobicContact CG2-CG 3.82Å |
| 49 | D | 78.6 | Confident | 76.1 | Confident | 26 Ų | 26 | 50 Ų | 50 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | trans | -84.8 | 107.9 | 168.6 | -157.8 | -27.2 | 0 | 0 | 0 | 110.4 | R51 V52 G57 I59 | D49-R51 PolarHBondContact O-N 2.81Å; D49-R51 VanDerWaalsContact OD1-CB 3.25Å; D49-R51 WeakPolarHBondContact OD1-CB 3.21Å; D49-R51 WeakPolarHBondContact OD1-CG 3.39Å; D49-R51 IonicContact OD1-CZ 2.75Å; D49-R51 PolarHBondContact OD1-N 3.28Å; D49-R51 IonicContact OD1-NE 3.07Å; D49-R51 PolarHBondContact OD1-NE 2.98Å; D49-R51 IonicContact OD1-NH2 3.7Å; D49-R51 IonicContact OD2-CZ 2.86Å; D49-R51 IonicContact OD2-NE 3.94Å; D49-R51 PolarHBondContact OD2-NE 3.29Å; D49-R51 IonicContact OD2-NH2 3.04Å; D49-R51 PolarHBondContact OD2-NH2 2.82Å; D49-V52 HydrophobicContact CB-CG2 4.17Å; D49-V52 PolarHBondContact O-N 3.11Å; D49-G57 PolarHBondContact N-O 2.94Å; D49-I59 HydrophobicContact CB-CD1 3.77Å; D49-I59 HydrophobicContact CB-CG1 4.17Å | ||
| 50 | T | 69.1 | Low | 75.2 | Confident | 105 Ų | 105 | 48.7 Ų | 48.7 | 64% | 0.644 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.6 | 177.9 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | V48 | V48-T50 PolarHBondContact O-N 2.75Š|
| 51 | R | 66.3 | Low | 74.2 | Confident | 193 Ų | 193 | 56.8 Ų | 56.8 | 73% | 0.728 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -15.3 | 178 | -59.1 | 170.3 | -68.1 | 178.2 | 3.4 | 112.9 | D49 | D49-R51 PolarHBondContact O-N 2.81Å; D49-R51 VanDerWaalsContact OD1-CB 3.25Å; D49-R51 WeakPolarHBondContact OD1-CB 3.21Å; D49-R51 WeakPolarHBondContact OD1-CG 3.39Å; D49-R51 IonicContact OD1-CZ 2.75Å; D49-R51 PolarHBondContact OD1-N 3.28Å; D49-R51 IonicContact OD1-NE 3.07Å; D49-R51 PolarHBondContact OD1-NE 2.98Å; D49-R51 IonicContact OD1-NH2 3.7Å; D49-R51 IonicContact OD2-CZ 2.86Å; D49-R51 IonicContact OD2-NE 3.94Å; D49-R51 PolarHBondContact OD2-NE 3.29Å; D49-R51 IonicContact OD2-NH2 3.04Å; D49-R51 PolarHBondContact OD2-NH2 2.82Å |
| 52 | V | 60.5 | Low | 73.8 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -89.1 | 118.7 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | D49 G54 | D49-V52 HydrophobicContact CB-CG2 4.17Å; D49-V52 PolarHBondContact O-N 3.11Å; V52-G54 PolarHBondContact O-N 3.31Å |
| 53 | V | 47 | Very low | 73.5 | Confident | 150 Ų | 150 | 65 Ų | 65 | 91% | 0.909 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -66.5 | 117.4 | 178.2 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 54 | G | 59.6 | Low | 73.3 | Confident | 62 Ų | 62 | 67.3 Ų | 67.3 | 64% | 0.639 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 140.3 | -154.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V52 G56 | V52-G54 PolarHBondContact O-N 3.31Å; G54-G56 PolarHBondContact O-N 2.94Å; G54-G56 VanDerWaalsContact O-N 3.09Å |
| 55 | D | 54.8 | Low | 72.8 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 40% | 0.396 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -72.3 | 7.1 | 174.8 | -144 | 42.1 | 0 | 0 | 0 | 113.8 | K96 H134 | D55-K96 IonicContact OD1-NZ 3.51Å; D55-K96 PolarHBondContact OD1-NZ 3.05Å; D55-H134 IonicContact OD2-CE1 3.97Å; D55-H134 PolarHBondContact OD2-CE1 2.8Å; D55-H134 IonicContact OD2-NE2 2.95Å; D55-H134 PolarHBondContact OD2-NE2 3.26Å |
| 56 | G | 56.7 | Low | 72.5 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | trans | 67.1 | 117.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | G54 S58 | G54-G56 PolarHBondContact O-N 2.94Å; G54-G56 VanDerWaalsContact O-N 3.09Å; G56-S58 PolarHBondContact O-N 3.5Å | ||
| 57 | G | 61.5 | Low | 72.5 | Confident | 45 Ų | 45 | 72.3 Ų | 72.3 | 46% | 0.464 | 43% | 0.425 | S | S | . | . | trans | -57.8 | 127.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | D49 I59 | D49-G57 PolarHBondContact N-O 2.94Å; G57-I59 PolarHBondContact O-N 3.25Å | ||
| 58 | S | 66.6 | Low | 72.7 | Confident | 75 Ų | 75 | 74.3 Ų | 74.3 | 52% | 0.524 | 43% | 0.433 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 120.7 | 177.8 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | N47 G56 S60 | N47-S58 CarbonylContact O-C 3.6Å; N47-S58 WeakPolarHBondContact O-CA 3.26Å; N47-S58 PolarHBondContact O-OG 3.47Å; G56-S58 PolarHBondContact O-N 3.5Å; S58-S60 PolarHBondContact O-N 3.13Å |
| 59 | I | 72.8 | Confident | 73.1 | Confident | 39 Ų | 39 | 74 Ų | 74 | 20% | 0.2 | 43% | 0.432 | C | S | . | . | trans | -83.5 | 96.3 | 174.3 | -59.6 | 166.3 | 0 | 0 | 0 | 107.1 | N47 D49 G57 K61 C65 | N47-I59 HydrophobicContact CB-CB 4.33Å; N47-I59 WeakPolarHBondContact CB-O 3.41Å; N47-I59 PolarHBondContact O-N 3.3Å; D49-I59 HydrophobicContact CB-CD1 3.77Å; D49-I59 HydrophobicContact CB-CG1 4.17Å; G57-I59 PolarHBondContact O-N 3.25Å; I59-K61 VanDerWaalsContact C-N 3.26Å; I59-K61 VanDerWaalsContact CG2-O 3.22Å; I59-K61 WeakPolarHBondContact CG2-O 3.24Å; I59-K61 PolarHBondContact O-N 3.42Å; I59-C65 HydrophobicContact CD1-CB 4.16Å | ||
| 60 | S | 67.3 | Low | 73.9 | Confident | 91 Ų | 91 | 73 Ų | 73 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | trans | -69.7 | -20.4 | -177.8 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | S58 | S58-S60 PolarHBondContact O-N 3.13Š| ||
| 61 | K | 69.4 | Low | 75.2 | Confident | 181 Ų | 181 | 68.2 Ų | 68.2 | 79% | 0.787 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -146.6 | 142.4 | -178.4 | -64.5 | -174.8 | -179.9 | -179.9 | 0 | 112.3 | I59 | I59-K61 VanDerWaalsContact C-N 3.26Å; I59-K61 VanDerWaalsContact CG2-O 3.22Å; I59-K61 WeakPolarHBondContact CG2-O 3.24Å; I59-K61 PolarHBondContact O-N 3.42Å |
| 62 | G | 81.4 | Confident | 76.7 | Confident | 36 Ų | 36 | 59 Ų | 59 | 37% | 0.371 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 126.5 | -160.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y37 | Y37-G62 PolarHBondContact N-O 3.22Å |
| 63 | K | 86.7 | Confident | 78.4 | Confident | 158 Ų | 158 | 55.3 Ų | 55.3 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 146.8 | 175.9 | -71.6 | -174.1 | 177.7 | -178.1 | 0 | 110.4 | N47 C65 | N47-K63 PolarHBondContact ND2-O 3.07Å; K63-C65 PolarHBondContact O-N 2.73Å |
| 64 | I | 86.3 | Confident | 80.8 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | trans | -66.1 | 123 | 172.3 | -63.5 | 170.7 | 0 | 0 | 0 | 108 | G35 I41 L67 | G35-I64 WeakPolarHBondContact O-CG1 3.25Å; G35-I64 PolarHBondContact O-N 3.33Å; I41-I64 HydrophobicContact CD1-CD1 4.21Å; I64-L67 HydrophobicContact CG2-CD1 3.9Å; I64-L67 HydrophobicContact CG2-CD2 3.81Å; I64-L67 HydrophobicContact CG2-CG 3.55Å | ||
| 65 | C | 83.3 | Confident | 82.5 | Confident | 78 Ų | 78 | 45.3 Ų | 45.3 | 53% | 0.527 | 27% | 0.266 | S | S | . | . | trans | -103.8 | -61.2 | 178 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | N47 I59 K63 | N47-C65 PolarHBondContact OD1-N 2.76Å; I59-C65 HydrophobicContact CD1-CB 4.16Å; K63-C65 PolarHBondContact O-N 2.73Å | ||
| 66 | S | 87.8 | Confident | 84.3 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 18% | 0.175 | 25% | 0.248 | C | C | . | . | trans | -145.6 | 125.3 | 175.4 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | N47 V48 | N47-S66 CarbonylContact C-O 3.52Å; N47-S66 WeakPolarHBondContact CA-O 3.2Å; N47-S66 PolarHBondContact OD1-N 3.38Å; N47-S66 PolarHBondContact OD1-O 2.82Å; V48-S66 PolarHBondContact N-O 2.82Å; V48-S66 WeakPolarHBondContact O-CB 3.28Å | ||
| 67 | L | 91.5 | Very high | 85.8 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 12% | 0.12 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 134.1 | 178.8 | -66.6 | 173.5 | 0 | 0 | 0 | 109.8 | L25 Y37 I41 F45 R46 N47 I64 V92 | L25-L67 HydrophobicContact CD2-CD1 3.74Å; Y37-L67 HydrophobicContact CD2-CD2 4Å; Y37-L67 HydrophobicContact CE2-CD2 4.07Å; I41-L67 HydrophobicContact CD1-CD1 3.48Å; I41-L67 VanDerWaalsContact CD1-CD1 3.48Å; I41-L67 HydrophobicContact CD1-CD2 4.35Å; I41-L67 HydrophobicContact CG1-CD1 4.37Å; F45-L67 HydrophobicContact CB-CB 4.43Å; F45-L67 HydrophobicContact CB-CD2 4.08Å; F45-L67 HydrophobicContact CD1-CB 4.18Å; R46-L67 CarbonylContact O-C 3.59Å; R46-L67 VanDerWaalsContact O-CA 3.28Å; R46-L67 WeakPolarHBondContact O-CA 3.2Å; N47-L67 HydrophobicContact CB-CD2 4.39Å; I64-L67 HydrophobicContact CG2-CD1 3.9Å; I64-L67 HydrophobicContact CG2-CD2 3.81Å; I64-L67 HydrophobicContact CG2-CG 3.55Å; L67-V92 WeakPolarHBondContact O-CA 3.16Å |
| 68 | K | 93.5 | Very high | 86.9 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 18% | 0.183 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.7 | 167.3 | -67.6 | -58.7 | -170.6 | -177 | 0 | 110.1 | F45 R46 V48 D91 V92 F93 | F45-K68 CarbonylContact C-O 3.57Å; F45-K68 WeakPolarHBondContact CA-O 3.18Å; R46-K68 PolarHBondContact N-O 3.38Å; R46-K68 PolarHBondContact O-N 2.83Å; V48-K68 HydrophobicContact CB-CG 4.41Å; V48-K68 HydrophobicContact CG2-CB 4.07Å; V48-K68 HydrophobicContact CG2-CG 3.82Å; K68-D91 WeakPolarHBondContact CE-O 3.49Å; K68-D91 PolarHBondContact NZ-O 3.14Å; K68-V92 CarbonylContact C-O 3.53Å; K68-V92 VanDerWaalsContact CA-O 3.28Å; K68-V92 WeakPolarHBondContact CA-O 3.16Å; K68-F93 PolarHBondContact NZ-O 3.32Å |
| 69 | A | 94.9 | Very high | 87.8 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 141.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | W21 F45 A71 V92 F93 | W21-A69 HydrophobicContact CD2-CB 4Å; W21-A69 HydrophobicContact CE3-CB 3.8Å; W21-A69 HydrophobicContact CH2-CB 3.67Å; W21-A69 HydrophobicContact CZ2-CB 3.87Å; W21-A69 HydrophobicContact CZ3-CB 3.59Å; F45-A69 HydrophobicContact CD1-CB 4.3Å; F45-A69 HydrophobicContact CE1-CB 4.33Å; A69-A71 HydrophobicContact CB-CB 3.97Å; A69-A71 PolarHBondContact O-N 3.48Å; A69-V92 HydrophobicContact CB-CG1 3.85Å; A69-V92 PolarHBondContact N-O 2.83Å; A69-F93 HydrophobicContact CB-CD1 4.35Å; A69-F93 HydrophobicContact CB-CE1 4.38Å |
| 70 | R | 95.6 | Very high | 88.4 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -78.9 | 67.4 | 166.9 | -62.3 | 176.9 | -173 | -76.6 | 2.8 | 108.2 | V6 S42 F44 R46 H134 C135 | V6-R70 PolarHBondContact N-O 3.13Å; S42-R70 PolarHBondContact O-NE 3Å; S42-R70 VanDerWaalsContact O-NE 3.11Å; F44-R70 WeakPolarHBondContact O-CB 3.37Å; F44-R70 WeakPolarHBondContact O-CG 3.27Å; F44-R70 PolarHBondContact O-N 3.45Å; R46-R70 HydrophobicContact CG-CG 4.12Å; R70-H134 VanDerWaalsContact NH1-C 3.29Å; R70-H134 PolarHBondContact NH1-O 3.11Å; R70-C135 PolarHBondContact NH1-SG 2.97Å |
| 71 | A | 96.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 139.9 | -173 | 0 | 0 | 0 | 0 | 0 | 111.2 | V6 W21 A69 L73 F93 Q97 | V6-A71 VanDerWaalsContact O-CA 3.24Å; V6-A71 WeakPolarHBondContact O-CA 3.45Å; W21-A71 HydrophobicContact CH2-CB 4.35Å; W21-A71 HydrophobicContact CZ2-CB 3.48Å; W21-A71 VanDerWaalsContact CZ2-CB 3.48Å; A69-A71 HydrophobicContact CB-CB 3.97Å; A69-A71 PolarHBondContact O-N 3.48Å; A71-L73 HydrophobicContact CB-CD1 3.65Å; A71-F93 HydrophobicContact CB-CD1 4.27Å; A71-F93 HydrophobicContact CB-CE1 4.21Å; A71-Q97 WeakPolarHBondContact O-CB 3.47Å |
| 72 | V | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.8 | 165 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | V6 V7 Q8 I74 I99 K127 L128 S131 | V6-V72 PolarHBondContact O-N 3.08Å; V7-V72 WeakPolarHBondContact CA-O 3.21Å; V7-V72 HydrophobicContact CG1-CB 4.45Å; Q8-V72 PolarHBondContact N-O 3.19Å; V72-I74 HydrophobicContact CG1-CD1 4.13Å; V72-I74 HydrophobicContact CG1-CG1 3.97Å; V72-I99 HydrophobicContact CG1-CD1 4.43Å; V72-K127 HydrophobicContact CG1-CB 4.4Å; V72-L128 HydrophobicContact CB-CD2 4.47Å; V72-L128 HydrophobicContact CG2-CD2 4.1Å; V72-S131 WeakPolarHBondContact CG2-OG 3.29Å |
| 73 | L | 97 | Very high | 90.7 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126 | -178.2 | -74.1 | 67.7 | 0 | 0 | 0 | 108.4 | Q8 A71 I84 F93 Q97 L98 I99 | Q8-L73 HydrophobicContact CB-CG 4.45Å; A71-L73 HydrophobicContact CB-CD1 3.65Å; L73-I84 HydrophobicContact CD2-CD1 4.19Å; L73-F93 HydrophobicContact CD1-CD1 3.66Å; L73-F93 HydrophobicContact CD1-CE1 3.86Å; L73-F93 HydrophobicContact CD2-CD1 4.12Å; L73-F93 HydrophobicContact CD2-CE1 4.21Å; L73-Q97 PolarHBondContact N-O 3.44Å; L73-Q97 VanDerWaalsContact N-O 3.09Å; L73-L98 HydrophobicContact CB-CD2 3.67Å; L73-L98 HydrophobicContact CD1-CD2 4.22Å; L73-L98 HydrophobicContact CD2-CD2 3.86Å; L73-L98 HydrophobicContact CG-CD2 4.13Å; L73-L98 CarbonylContact O-C 3.05Å; L73-L98 WeakPolarHBondContact O-CA 3.15Å; L73-I99 PolarHBondContact O-N 3.38Å |
| 74 | I | 96.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 118.8 | -174.9 | -52.9 | -178.4 | 0 | 0 | 0 | 107.7 | V7 Q8 V9 G10 N14 V72 M76 I99 I124 L155 L159 | V7-I74 HydrophobicContact CG1-CD1 4.02Å; Q8-I74 PolarHBondContact O-N 2.96Å; V9-I74 WeakPolarHBondContact CA-O 3.33Å; V9-I74 HydrophobicContact CG1-CB 4.35Å; V9-I74 HydrophobicContact CG1-CG2 4.4Å; G10-I74 PolarHBondContact N-O 2.92Å; N14-I74 PolarHBondContact ND2-O 3.35Å; N14-I74 VanDerWaalsContact ND2-O 3.14Å; V72-I74 HydrophobicContact CG1-CD1 4.13Å; V72-I74 HydrophobicContact CG1-CG1 3.97Å; I74-M76 HydrophobicContact CG2-CE 3.85Å; I74-I99 WeakPolarHBondContact CA-O 3.13Å; I74-I99 HydrophobicContact CD1-CD1 4.13Å; I74-I99 HydrophobicContact CG1-CB 4.3Å; I74-I99 HydrophobicContact CG1-CD1 4.02Å; I74-I99 HydrophobicContact CG1-CG1 4.48Å; I74-I99 HydrophobicContact CG2-CB 4.33Å; I74-I99 HydrophobicContact CG2-CG2 4.46Å; I74-I124 HydrophobicContact CD1-CG1 4.3Å; I74-I124 HydrophobicContact CD1-CG2 3.91Å; I74-L155 HydrophobicContact CG2-CD2 3.4Å; I74-L155 VanDerWaalsContact CG2-CD2 3.4Å; I74-L155 HydrophobicContact CG2-CG 4.35Å; I74-L159 HydrophobicContact CD1-CD1 3.74Å; I74-L159 HydrophobicContact CD1-CD2 4.26Å |
| 75 | D | 95.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.011 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 123.9 | 174.3 | -144.9 | -24.7 | 0 | 0 | 0 | 111.6 | G10 Q11 N14 E77 V81 I99 T100 D101 | G10-D75 VanDerWaalsContact C-OD2 3.26Å; G10-D75 WeakPolarHBondContact CA-OD1 3.43Å; Q11-D75 WeakPolarHBondContact CA-OD2 3.31Å; Q11-D75 PolarHBondContact N-OD2 3.44Å; Q11-D75 VanDerWaalsContact N-OD2 3.1Å; N14-D75 WeakPolarHBondContact ND2-CB 3.41Å; N14-D75 PolarHBondContact ND2-OD2 2.62Å; D75-E77 VanDerWaalsContact CG-O 3.25Å; D75-E77 PolarHBondContact O-N 2.63Å; D75-E77 PolarHBondContact OD1-N 3.49Å; D75-V81 HydrophobicContact CB-CG2 3.83Å; D75-I99 PolarHBondContact N-O 3.16Å; D75-T100 WeakPolarHBondContact O-CA 3.44Å; D75-D101 PolarHBondContact O-N 3.34Å |
| 76 | M | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -83 | 10.2 | 176.7 | -52.1 | -65.3 | 97.1 | 0 | 0 | 111.6 | I74 I99 D101 G104 F116 Y120 T151 L155 | I74-M76 HydrophobicContact CG2-CE 3.85Å; M76-I99 HydrophobicContact CE-CG2 4.02Å; M76-D101 CarbonylContact C-O 3.56Å; M76-D101 CarbonylContact O-C 3.57Å; M76-D101 HydrophobicContact SD-CB 4.29Å; M76-G104 WeakPolarHBondContact O-CA 3.39Å; M76-G104 PolarHBondContact O-N 3.37Å; M76-F116 HydrophobicContact CB-CD2 4.13Å; M76-F116 HydrophobicContact CB-CE2 3.87Å; M76-F116 HydrophobicContact CB-CZ 4.49Å; M76-F116 HydrophobicContact CG-CD2 3.56Å; M76-F116 HydrophobicContact CG-CE2 3.84Å; M76-F116 HydrophobicContact CG-CG 4.1Å; M76-F116 HydrophobicContact SD-CB 4.3Å; M76-F116 HydrophobicContact SD-CD2 4.18Å; M76-F116 HydrophobicContact SD-CG 4.11Å; M76-Y120 HydrophobicContact SD-CD2 3.87Å; M76-Y120 HydrophobicContact SD-CE2 3.61Å; M76-T151 HydrophobicContact CB-CG2 4.2Å; M76-T151 HydrophobicContact CG-CG2 3.72Å; M76-L155 HydrophobicContact CE-CD2 4.12Å; M76-L155 HydrophobicContact CG-CD2 4.37Å; M76-L155 HydrophobicContact SD-CD2 4.31Å |
| 77 | E | 88.4 | Confident | 91.1 | Very high | 79 Ų | 79 | 33.1 Ų | 33.1 | 37% | 0.369 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -132.2 | 115.7 | 169.8 | -63.6 | 178.2 | -173.5 | 0 | 0 | 108.6 | D75 G79 D101 | D75-E77 VanDerWaalsContact CG-O 3.25Å; D75-E77 PolarHBondContact O-N 2.63Å; D75-E77 PolarHBondContact OD1-N 3.49Å; E77-G79 PolarHBondContact O-N 3.5Å; E77-G79 VanDerWaalsContact O-N 3.08Å; E77-D101 WeakPolarHBondContact CA-O 3.42Å; E77-D101 PolarHBondContact N-O 3.36Å |
| 78 | E | 83.1 | Confident | 90.8 | Very high | 65 Ų | 65 | 37 Ų | 37 | 30% | 0.304 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -69.3 | -11.1 | -171.4 | -50.5 | -166.8 | 146.7 | 0 | 0 | 114.9 | V80 V81 N82 D101 I102 | E78-V80 PolarHBondContact O-N 2.95Å; E78-V81 PolarHBondContact O-N 3.36Å; E78-N82 VanDerWaalsContact CB-ND2 3.31Å; E78-N82 WeakPolarHBondContact CB-ND2 3.38Å; E78-N82 VanDerWaalsContact O-CB 3.25Å; E78-N82 WeakPolarHBondContact O-CB 3.45Å; E78-N82 VanDerWaalsContact O-CG 3.25Å; E78-N82 PolarHBondContact O-N 3.27Å; E78-N82 PolarHBondContact O-ND2 3.27Å; E78-N82 PolarHBondContact OE2-ND2 3.37Å; E78-D101 WeakPolarHBondContact CG-O 3.33Å; E78-D101 PolarHBondContact N-O 3.14Å; E78-I102 HydrophobicContact CG-CG1 4.04Å |
| 79 | G | 85.9 | Confident | 90.6 | Very high | 49 Ų | 49 | 35.7 Ų | 35.7 | 51% | 0.505 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -53.2 | -53.6 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | E77 E83 | E77-G79 PolarHBondContact O-N 3.5Å; E77-G79 VanDerWaalsContact O-N 3.08Å; G79-E83 WeakPolarHBondContact O-CG 2.92Å; G79-E83 PolarHBondContact O-N 3.37Å; G79-E83 VanDerWaalsContact O-N 3.16Å |
| 80 | V | 85.7 | Confident | 90.4 | Very high | 13 Ų | 13 | 42 Ų | 42 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.1 | -41.7 | -177.8 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | Q11 N14 Q15 E78 N82 E83 I84 | Q11-V80 HydrophobicContact CB-CG2 4.13Å; Q11-V80 HydrophobicContact CG-CG2 3.79Å; N14-V80 HydrophobicContact CB-CG1 3.76Å; Q15-V80 HydrophobicContact CG-CG1 3.84Å; Q15-V80 HydrophobicContact CG-CG2 4.29Å; E78-V80 PolarHBondContact O-N 2.95Å; V80-N82 VanDerWaalsContact C-N 3.33Å; V80-N82 PolarHBondContact O-N 3.01Å; V80-E83 WeakPolarHBondContact O-CB 3.41Å; V80-E83 PolarHBondContact O-N 2.84Å; V80-I84 HydrophobicContact CG1-CD1 4.15Å; V80-I84 WeakPolarHBondContact O-CG1 3.24Å; V80-I84 PolarHBondContact O-N 2.98Å |
| 81 | V | 88.1 | Confident | 90 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | -179.4 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | D75 E78 E83 I84 L85 L98 T100 | D75-V81 HydrophobicContact CB-CG2 3.83Å; E78-V81 PolarHBondContact O-N 3.36Å; V81-E83 VanDerWaalsContact C-N 3.34Å; V81-E83 PolarHBondContact O-N 3.04Å; V81-I84 WeakPolarHBondContact O-CB 3.32Å; V81-I84 PolarHBondContact O-N 2.62Å; V81-I84 VanDerWaalsContact O-N 3.12Å; V81-L85 HydrophobicContact CG1-CD1 4.33Å; V81-L85 HydrophobicContact CG1-CG 4.48Å; V81-L85 WeakPolarHBondContact O-CG 3.39Å; V81-L85 PolarHBondContact O-N 3.47Å; V81-L98 HydrophobicContact CG1-CD1 4.11Å; V81-L98 HydrophobicContact CG1-CD2 4.27Å; V81-T100 HydrophobicContact CB-CG2 3.91Å; V81-T100 HydrophobicContact CG1-CG2 3.89Å; V81-T100 HydrophobicContact CG2-CG2 3.82Å |
| 82 | N | 89.5 | Confident | 89.8 | Confident | 62 Ų | 62 | 47 Ų | 47 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 175.1 | -75.5 | -24.4 | 0 | 0 | 0 | 112.1 | E78 V80 I84 L85 Q86 | E78-N82 VanDerWaalsContact CB-ND2 3.31Å; E78-N82 WeakPolarHBondContact CB-ND2 3.38Å; E78-N82 VanDerWaalsContact O-CB 3.25Å; E78-N82 WeakPolarHBondContact O-CB 3.45Å; E78-N82 VanDerWaalsContact O-CG 3.25Å; E78-N82 PolarHBondContact O-N 3.27Å; E78-N82 PolarHBondContact O-ND2 3.27Å; E78-N82 PolarHBondContact OE2-ND2 3.37Å; V80-N82 VanDerWaalsContact C-N 3.33Å; V80-N82 PolarHBondContact O-N 3.01Å; N82-I84 VanDerWaalsContact C-N 3.34Å; N82-I84 PolarHBondContact O-N 3.43Å; N82-L85 PolarHBondContact O-N 3.38Å; N82-Q86 VanDerWaalsContact O-CG 3.3Å; N82-Q86 WeakPolarHBondContact O-CG 3.49Å; N82-Q86 PolarHBondContact O-N 2.95Å |
| 83 | E | 88.5 | Confident | 89.6 | Confident | 98 Ų | 98 | 47.1 Ų | 47.1 | 46% | 0.458 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 172.3 | -72.4 | -179.2 | 153.4 | 0 | 0 | 112.2 | G79 V80 V81 Q86 G87 K253 | G79-E83 WeakPolarHBondContact O-CG 2.92Å; G79-E83 PolarHBondContact O-N 3.37Å; G79-E83 VanDerWaalsContact O-N 3.16Å; V80-E83 WeakPolarHBondContact O-CB 3.41Å; V80-E83 PolarHBondContact O-N 2.84Å; V81-E83 VanDerWaalsContact C-N 3.34Å; V81-E83 PolarHBondContact O-N 3.04Å; E83-Q86 PolarHBondContact O-N 3.47Å; E83-G87 PolarHBondContact O-N 3.25Å; E83-K253 IonicContact OE1-NZ 3.31Å; E83-K253 PolarHBondContact OE1-NZ 3.34Å; E83-K253 IonicContact OE2-NZ 3.37Å; E83-K253 PolarHBondContact OE2-NZ 3.5Å |
| 84 | I | 87.6 | Confident | 89.2 | Confident | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.7 | -67.6 | 168.2 | 0 | 0 | 0 | 110.6 | N14 C18 L73 V80 V81 N82 Q86 G87 F93 | N14-I84 HydrophobicContact CB-CD1 4.34Å; C18-I84 HydrophobicContact CB-CD1 4.11Å; C18-I84 HydrophobicContact CB-CG1 4.19Å; L73-I84 HydrophobicContact CD2-CD1 4.19Å; V80-I84 HydrophobicContact CG1-CD1 4.15Å; V80-I84 WeakPolarHBondContact O-CG1 3.24Å; V80-I84 PolarHBondContact O-N 2.98Å; V81-I84 WeakPolarHBondContact O-CB 3.32Å; V81-I84 PolarHBondContact O-N 2.62Å; V81-I84 VanDerWaalsContact O-N 3.12Å; N82-I84 VanDerWaalsContact C-N 3.34Å; N82-I84 PolarHBondContact O-N 3.43Å; I84-Q86 VanDerWaalsContact C-N 3.32Å; I84-Q86 PolarHBondContact O-N 3.28Å; I84-G87 PolarHBondContact O-N 2.96Å; I84-G87 VanDerWaalsContact O-N 3.09Å; I84-F93 HydrophobicContact CG2-CD2 3.46Å; I84-F93 VanDerWaalsContact CG2-CD2 3.46Å; I84-F93 HydrophobicContact CG2-CE2 3.35Å; I84-F93 HydrophobicContact CG2-CG 4.42Å; I84-F93 HydrophobicContact CG2-CZ 4.25Å |
| 85 | L | 88.5 | Confident | 88.8 | Confident | 51 Ų | 51 | 52.8 Ų | 52.8 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.1 | -23.8 | 179.2 | -66.6 | 179.5 | 0 | 0 | 0 | 114 | V81 N82 R90 T95 L98 | V81-L85 HydrophobicContact CG1-CD1 4.33Å; V81-L85 HydrophobicContact CG1-CG 4.48Å; V81-L85 WeakPolarHBondContact O-CG 3.39Å; V81-L85 PolarHBondContact O-N 3.47Å; N82-L85 PolarHBondContact O-N 3.38Å; L85-R90 WeakPolarHBondContact O-CB 3.49Å; L85-T95 HydrophobicContact CD2-CG2 4.41Å; L85-L98 HydrophobicContact CD1-CD1 3.76Å; L85-L98 HydrophobicContact CD2-CD1 3.92Å; L85-L98 HydrophobicContact CG-CD1 4.23Å |
| 86 | Q | 89.1 | Confident | 88.6 | Confident | 162 Ų | 162 | 58.1 Ų | 58.1 | 76% | 0.757 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -87 | -13.6 | 170.4 | -67 | 175.6 | 18.4 | 0 | 0 | 112.3 | N82 E83 I84 | N82-Q86 VanDerWaalsContact O-CG 3.3Å; N82-Q86 WeakPolarHBondContact O-CG 3.49Å; N82-Q86 PolarHBondContact O-N 2.95Å; E83-Q86 PolarHBondContact O-N 3.47Å; I84-Q86 VanDerWaalsContact C-N 3.32Å; I84-Q86 PolarHBondContact O-N 3.28Å |
| 87 | G | 86.9 | Confident | 88.5 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 22% | 0.216 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -82.3 | 179.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E83 I84 L89 R90 | E83-G87 PolarHBondContact O-N 3.25Å; I84-G87 PolarHBondContact O-N 2.96Å; I84-G87 VanDerWaalsContact O-N 3.09Å; G87-L89 PolarHBondContact O-N 2.74Å; G87-R90 WeakPolarHBondContact O-CB 3.48Å; G87-R90 PolarHBondContact O-N 3.12Å |
| 88 | P | 86.3 | Confident | 88.8 | Confident | 105 Ų | 105 | 55.8 Ų | 55.8 | 68% | 0.682 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.4 | -178.4 | 28 | -35.3 | 0 | 0 | 0 | 113.7 | L247 | P88-L247 HydrophobicContact CB-CD1 4.25Å; P88-L247 HydrophobicContact CG-CD1 4.09Å |
| 89 | L | 88.7 | Confident | 89.3 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 3.5 | -179.8 | -63.8 | -177.3 | 0 | 0 | 0 | 113.7 | W21 D22 L25 G87 D91 V92 F93 | W21-L89 HydrophobicContact CB-CD1 4.11Å; D22-L89 HydrophobicContact CB-CD1 4.08Å; L25-L89 HydrophobicContact CD1-CD2 3.85Å; G87-L89 PolarHBondContact O-N 2.74Å; L89-D91 PolarHBondContact O-N 3.45Å; L89-D91 VanDerWaalsContact O-N 3.08Å; L89-V92 HydrophobicContact CD2-CG2 4.32Å; L89-V92 VanDerWaalsContact O-CB 3.29Å; L89-V92 WeakPolarHBondContact O-CB 3.29Å; L89-V92 PolarHBondContact O-N 3.22Å; L89-F93 HydrophobicContact CB-CD2 4.3Å; L89-F93 HydrophobicContact CB-CE2 3.76Å; L89-F93 HydrophobicContact CD1-CE2 4.28Å; L89-F93 WeakPolarHBondContact O-CD2 3.45Å |
| 90 | R | 90.3 | Very high | 89.6 | Confident | 137 Ų | 137 | 52.6 Ų | 52.6 | 52% | 0.517 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -38.8 | -175.4 | 72.6 | -174.2 | -175.7 | -176.5 | -1.4 | 113.8 | L85 G87 V92 F93 | L85-R90 WeakPolarHBondContact O-CB 3.49Å; G87-R90 WeakPolarHBondContact O-CB 3.48Å; G87-R90 PolarHBondContact O-N 3.12Å; R90-V92 PolarHBondContact O-N 3.19Å; R90-F93 PolarHBondContact O-N 3.22Å |
| 91 | D | 88.8 | Confident | 89.8 | Confident | 97 Ų | 97 | 53.7 Ų | 53.7 | 52% | 0.519 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -15.9 | -174.8 | -63.9 | -49.4 | 0 | 0 | 0 | 111.7 | K68 L89 | K68-D91 WeakPolarHBondContact CE-O 3.49Å; K68-D91 PolarHBondContact NZ-O 3.14Å; L89-D91 PolarHBondContact O-N 3.45Å; L89-D91 VanDerWaalsContact O-N 3.08Å |
| 92 | V | 91.3 | Very high | 89.6 | Confident | 18 Ų | 18 | 60 Ų | 60 | 11% | 0.109 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -32.6 | 177.7 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | L25 F45 L67 K68 A69 L89 R90 | L25-V92 HydrophobicContact CD1-CG2 4.03Å; F45-V92 HydrophobicContact CD1-CG1 4.12Å; F45-V92 HydrophobicContact CE1-CG1 3.68Å; L67-V92 WeakPolarHBondContact O-CA 3.16Å; K68-V92 CarbonylContact C-O 3.53Å; K68-V92 VanDerWaalsContact CA-O 3.28Å; K68-V92 WeakPolarHBondContact CA-O 3.16Å; A69-V92 HydrophobicContact CB-CG1 3.85Å; A69-V92 PolarHBondContact N-O 2.83Å; L89-V92 HydrophobicContact CD2-CG2 4.32Å; L89-V92 VanDerWaalsContact O-CB 3.29Å; L89-V92 WeakPolarHBondContact O-CB 3.29Å; L89-V92 PolarHBondContact O-N 3.22Å; R90-V92 PolarHBondContact O-N 3.19Å |
| 93 | F | 92.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.009 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -84.2 | 145.4 | 178.4 | -62.6 | -73.7 | 0 | 0 | 0 | 111.2 | W21 K68 A69 A71 L73 I84 L89 R90 | W21-F93 HydrophobicContact CB-CZ 4.15Å; W21-F93 AromaticContact CD1-CE1 3.41Å; W21-F93 VanDerWaalsContact CD1-CE1 3.41Å; W21-F93 AromaticContact CD1-CZ 3.33Å; W21-F93 HydrophobicContact CD2-CE1 4.47Å; W21-F93 HydrophobicContact CG-CE1 4.03Å; W21-F93 AromaticContact CG-CZ 3.82Å; W21-F93 HydrophobicContact CG-CZ 3.82Å; W21-F93 AromaticContact NE1-CE1 3.53Å; W21-F93 AromaticContact NE1-CZ 3.96Å; K68-F93 PolarHBondContact NZ-O 3.32Å; A69-F93 HydrophobicContact CB-CD1 4.35Å; A69-F93 HydrophobicContact CB-CE1 4.38Å; A71-F93 HydrophobicContact CB-CD1 4.27Å; A71-F93 HydrophobicContact CB-CE1 4.21Å; L73-F93 HydrophobicContact CD1-CD1 3.66Å; L73-F93 HydrophobicContact CD1-CE1 3.86Å; L73-F93 HydrophobicContact CD2-CD1 4.12Å; L73-F93 HydrophobicContact CD2-CE1 4.21Å; I84-F93 HydrophobicContact CG2-CD2 3.46Å; I84-F93 VanDerWaalsContact CG2-CD2 3.46Å; I84-F93 HydrophobicContact CG2-CE2 3.35Å; I84-F93 HydrophobicContact CG2-CG 4.42Å; I84-F93 HydrophobicContact CG2-CZ 4.25Å; L89-F93 HydrophobicContact CB-CD2 4.3Å; L89-F93 HydrophobicContact CB-CE2 3.76Å; L89-F93 HydrophobicContact CD1-CE2 4.28Å; L89-F93 WeakPolarHBondContact O-CD2 3.45Å; R90-F93 PolarHBondContact O-N 3.22Å |
| 94 | D | 89.8 | Confident | 88.8 | Confident | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.112 | 31% | 0.308 | C | S | . | . | trans | -91.3 | 119.1 | 171 | -171.7 | -14 | 0 | 0 | 0 | 108.4 | R46 K96 Q97 | R46-D94 IonicContact NH2-OD2 2.74Å; D94-K96 PolarHBondContact O-N 3.41Å; D94-K96 VanDerWaalsContact O-N 3.17Å; D94-K96 WeakPolarHBondContact OD1-CB 3.27Å; D94-K96 PolarHBondContact OD1-N 3.13Å; D94-Q97 HydrophobicContact CB-CB 4.28Å; D94-Q97 HydrophobicContact CB-CG 3.92Å; D94-Q97 PolarHBondContact O-N 3.27Å | ||
| 95 | T | 88.1 | Confident | 88.7 | Confident | 100 Ų | 100 | 56.9 Ų | 56.9 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -62 | -23.7 | -179.8 | 52 | 0 | 0 | 0 | 0 | 112.2 | L85 Q97 L98 | L85-T95 HydrophobicContact CD2-CG2 4.41Å; T95-Q97 PolarHBondContact O-N 2.96Å; T95-L98 HydrophobicContact CG2-CD1 4.41Å; T95-L98 PolarHBondContact O-N 2.88Å |
| 96 | K | 90 | Very high | 88.6 | Confident | 114 Ų | 114 | 57.6 Ų | 57.6 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -68.9 | -23.9 | 173.5 | -60.5 | 177.5 | -171.8 | 172 | 0 | 112.7 | D55 D94 L98 K127 | D55-K96 IonicContact OD1-NZ 3.51Å; D55-K96 PolarHBondContact OD1-NZ 3.05Å; D94-K96 PolarHBondContact O-N 3.41Å; D94-K96 VanDerWaalsContact O-N 3.17Å; D94-K96 WeakPolarHBondContact OD1-CB 3.27Å; D94-K96 PolarHBondContact OD1-N 3.13Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-K127 WeakPolarHBondContact O-CD 3.37Å; K96-K127 WeakPolarHBondContact O-CE 3.45Å; K96-K127 PolarHBondContact O-NZ 3.4Å |
| 97 | Q | 92.4 | Very high | 88.8 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -93.5 | 14.6 | -177.9 | -59.9 | -64 | -8.2 | 0 | 0 | 113.4 | A71 L73 D94 T95 K127 S131 | A71-Q97 WeakPolarHBondContact O-CB 3.47Å; L73-Q97 PolarHBondContact N-O 3.44Å; L73-Q97 VanDerWaalsContact N-O 3.09Å; D94-Q97 HydrophobicContact CB-CB 4.28Å; D94-Q97 HydrophobicContact CB-CG 3.92Å; D94-Q97 PolarHBondContact O-N 3.27Å; T95-Q97 PolarHBondContact O-N 2.96Å; Q97-K127 VanDerWaalsContact OE1-CB 3.26Å; Q97-K127 PolarHBondContact OE1-O 2.66Å; Q97-S131 PolarHBondContact OE1-OG 3.39Å |
| 98 | L | 93.8 | Very high | 89.3 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.8 | 178.1 | -51 | 177.8 | 0 | 0 | 0 | 110.8 | L73 V81 L85 T95 K96 K127 | L73-L98 HydrophobicContact CB-CD2 3.67Å; L73-L98 HydrophobicContact CD1-CD2 4.22Å; L73-L98 HydrophobicContact CD2-CD2 3.86Å; L73-L98 HydrophobicContact CG-CD2 4.13Å; L73-L98 CarbonylContact O-C 3.05Å; L73-L98 WeakPolarHBondContact O-CA 3.15Å; V81-L98 HydrophobicContact CG1-CD1 4.11Å; V81-L98 HydrophobicContact CG1-CD2 4.27Å; L85-L98 HydrophobicContact CD1-CD1 3.76Å; L85-L98 HydrophobicContact CD2-CD1 3.92Å; L85-L98 HydrophobicContact CG-CD1 4.23Å; T95-L98 HydrophobicContact CG2-CD1 4.41Å; T95-L98 PolarHBondContact O-N 2.88Å; K96-L98 VanDerWaalsContact C-N 3.33Å; L98-K127 PolarHBondContact O-NZ 3.24Å |
| 99 | I | 94.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 105.1 | 174.6 | -55 | 173.7 | 0 | 0 | 0 | 106.4 | V72 L73 I74 D75 M76 Y120 I124 K127 | V72-I99 HydrophobicContact CG1-CD1 4.43Å; L73-I99 PolarHBondContact O-N 3.38Å; I74-I99 WeakPolarHBondContact CA-O 3.13Å; I74-I99 HydrophobicContact CD1-CD1 4.13Å; I74-I99 HydrophobicContact CG1-CB 4.3Å; I74-I99 HydrophobicContact CG1-CD1 4.02Å; I74-I99 HydrophobicContact CG1-CG1 4.48Å; I74-I99 HydrophobicContact CG2-CB 4.33Å; I74-I99 HydrophobicContact CG2-CG2 4.46Å; D75-I99 PolarHBondContact N-O 3.16Å; M76-I99 HydrophobicContact CE-CG2 4.02Å; I99-Y120 HydrophobicContact CG2-CD1 4.1Å; I99-Y120 HydrophobicContact CG2-CG 4.45Å; I99-I124 HydrophobicContact CD1-CB 3.9Å; I99-I124 HydrophobicContact CD1-CG1 3.34Å; I99-I124 HydrophobicContact CD1-CG2 4.27Å; I99-K127 HydrophobicContact CD1-CD 3.72Å; I99-K127 HydrophobicContact CG1-CD 3.47Å; I99-K127 VanDerWaalsContact CG1-CD 3.47Å |
| 100 | T | 92.4 | Very high | 90.2 | Very high | 47 Ų | 47 | 47.5 Ų | 47.5 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 149.5 | -179.2 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | D75 V81 | D75-T100 WeakPolarHBondContact O-CA 3.44Å; V81-T100 HydrophobicContact CB-CG2 3.91Å; V81-T100 HydrophobicContact CG1-CG2 3.89Å; V81-T100 HydrophobicContact CG2-CG2 3.82Å |
| 101 | D | 89.2 | Confident | 90.5 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | trans | -143.9 | 170.8 | 171 | -166.4 | 17.6 | 0 | 0 | 0 | 110.2 | D75 M76 E77 E78 S103 Y120 | D75-D101 PolarHBondContact O-N 3.34Å; M76-D101 CarbonylContact C-O 3.56Å; M76-D101 CarbonylContact O-C 3.57Å; M76-D101 HydrophobicContact SD-CB 4.29Å; E77-D101 WeakPolarHBondContact CA-O 3.42Å; E77-D101 PolarHBondContact N-O 3.36Å; E78-D101 WeakPolarHBondContact CG-O 3.33Å; E78-D101 PolarHBondContact N-O 3.14Å; D101-S103 VanDerWaalsContact OD2-CB 3.29Å; D101-S103 WeakPolarHBondContact OD2-CB 3.18Å; D101-S103 PolarHBondContact OD2-OG 3.48Å; D101-Y120 WeakPolarHBondContact CB-OH 3.26Å; D101-Y120 PolarHBondContact OD2-OH 2.97Å; D101-Y120 VanDerWaalsContact OD2-OH 3.04Å | ||
| 102 | I | 84 | Confident | 90.8 | Very high | 135 Ų | 135 | 37.9 Ų | 37.9 | 69% | 0.692 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -103.1 | -13.2 | -178.5 | -51.4 | 171 | 0 | 0 | 0 | 111 | E78 G104 | E78-I102 HydrophobicContact CG-CG1 4.04Å; I102-G104 VanDerWaalsContact C-N 3.31Å; I102-G104 PolarHBondContact O-N 2.89Å |
| 103 | S | 78.3 | Confident | 91.1 | Very high | 84 Ų | 84 | 37.6 Ų | 37.6 | 59% | 0.587 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -62.9 | -33.1 | -172.4 | -57.7 | 0 | 0 | 0 | 0 | 113.7 | D101 | D101-S103 VanDerWaalsContact OD2-CB 3.29Å; D101-S103 WeakPolarHBondContact OD2-CB 3.18Å; D101-S103 PolarHBondContact OD2-OG 3.48Å |
| 104 | G | 82.9 | Confident | 91.2 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | trans | 63.6 | 154.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113 | M76 I102 F116 | M76-G104 WeakPolarHBondContact O-CA 3.39Å; M76-G104 PolarHBondContact O-N 3.37Å; I102-G104 VanDerWaalsContact C-N 3.31Å; I102-G104 PolarHBondContact O-N 2.89Å; G104-F116 VanDerWaalsContact O-CE2 3.3Å; G104-F116 WeakPolarHBondContact O-CE2 3.4Å; G104-F116 VanDerWaalsContact O-CZ 3.26Å; G104-F116 WeakPolarHBondContact O-CZ 3.3Å | ||
| 105 | S | 84.6 | Confident | 91.5 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | trans | -92.2 | -1.9 | 174.9 | 53.4 | 0 | 0 | 0 | 0 | 113 | N107 N108 G150 T151 | S105-N107 PolarHBondContact O-N 3.19Å; S105-N107 VanDerWaalsContact O-N 3.14Å; S105-N108 WeakPolarHBondContact O-CB 3.37Å; S105-N108 PolarHBondContact O-N 3.42Å; S105-G150 VanDerWaalsContact OG-CA 3.24Å; S105-G150 WeakPolarHBondContact OG-CA 3.13Å; S105-T151 WeakPolarHBondContact CB-OG1 3.36Å; S105-T151 PolarHBondContact OG-N 2.83Å; S105-T151 PolarHBondContact OG-OG1 3.5Å | ||
| 106 | G | 88.4 | Confident | 91.8 | Very high | 66 Ų | 66 | 40 Ų | 40 | 68% | 0.68 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 31.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N108 | G106-N108 PolarHBondContact O-N 3.47Š|
| 107 | N | 92.9 | Very high | 92 | Very high | 69 Ų | 69 | 34.6 Ų | 34.6 | 37% | 0.369 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 32.5 | -173 | -65 | -47.5 | 0 | 0 | 0 | 114.7 | S105 V185 T187 N191 | S105-N107 PolarHBondContact O-N 3.19Å; S105-N107 VanDerWaalsContact O-N 3.14Å; N107-V185 HydrophobicContact CB-CG1 3.68Å; N107-V185 HydrophobicContact CB-CG2 4.39Å; N107-T187 PolarHBondContact O-OG1 2.71Å; N107-N191 PolarHBondContact O-ND2 3.13Å |
| 108 | N | 95.7 | Very high | 92.1 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | trans | -116.6 | 112.7 | 178.8 | -172.4 | -22.2 | 0 | 0 | 0 | 110.9 | S105 G106 A110 V111 G112 H428 Y429 | S105-N108 WeakPolarHBondContact O-CB 3.37Å; S105-N108 PolarHBondContact O-N 3.42Å; G106-N108 PolarHBondContact O-N 3.47Å; N108-A110 VanDerWaalsContact C-N 3.25Å; N108-A110 PolarHBondContact O-N 2.84Å; N108-A110 WeakPolarHBondContact OD1-CB 3.33Å; N108-A110 PolarHBondContact OD1-N 3.41Å; N108-V111 HydrophobicContact CB-CB 4.31Å; N108-V111 HydrophobicContact CB-CG2 3.95Å; N108-V111 PolarHBondContact O-N 3.15Å; N108-G112 PolarHBondContact O-N 2.98Å; N108-H428 PolarHBondContact ND2-O 3.42Å; N108-Y429 WeakPolarHBondContact OD1-CD1 3.22Å; N108-Y429 WeakPolarHBondContact OD1-CE1 3.47Å | ||
| 109 | W | 97.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 2% | 0.023 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.7 | -37.8 | 177.5 | 178.4 | 102 | 0 | 0 | 0 | 112.4 | V111 G112 H113 S153 T157 N191 L194 E198 Y429 M435 | W109-V111 VanDerWaalsContact C-N 3.35Å; W109-V111 PolarHBondContact O-N 2.92Å; W109-G112 PolarHBondContact O-N 3.01Å; W109-H113 HydrophobicContact CD2-CB 3.96Å; W109-H113 AromaticContact CE2-CG 3.95Å; W109-H113 AromaticContact CE2-ND1 3.86Å; W109-H113 HydrophobicContact CE3-CB 4Å; W109-H113 HydrophobicContact CH2-CB 3.81Å; W109-H113 AromaticContact CH2-CD2 3.66Å; W109-H113 AromaticContact CH2-CG 3.48Å; W109-H113 VanDerWaalsContact CH2-CG 3.48Å; W109-H113 AromaticContact CH2-ND1 3.77Å; W109-H113 HydrophobicContact CZ2-CB 3.76Å; W109-H113 AromaticContact CZ2-CD2 3.99Å; W109-H113 AromaticContact CZ2-CE1 3.77Å; W109-H113 AromaticContact CZ2-CG 3.41Å; W109-H113 VanDerWaalsContact CZ2-CG 3.41Å; W109-H113 AromaticContact CZ2-ND1 3.26Å; W109-H113 VanDerWaalsContact CZ2-ND1 3.26Å; W109-H113 WeakPolarHBondContact CZ2-ND1 3.45Å; W109-H113 HydrophobicContact CZ3-CB 3.93Å; W109-H113 VanDerWaalsContact O-CB 3.3Å; W109-H113 WeakPolarHBondContact O-CB 3.46Å; W109-H113 PolarHBondContact O-N 3.23Å; W109-S153 VanDerWaalsContact CD1-C 3.5Å; W109-S153 VanDerWaalsContact CD1-OG 3.3Å; W109-T157 PolarHBondContact NE1-OG1 3.06Å; W109-N191 HydrophobicContact CB-CB 4.02Å; W109-N191 WeakPolarHBondContact CB-OD1 3.46Å; W109-N191 PolarHBondContact N-OD1 3.14Å; W109-L194 HydrophobicContact CB-CD1 4.38Å; W109-L194 HydrophobicContact CD2-CB 3.55Å; W109-L194 HydrophobicContact CD2-CD1 4.01Å; W109-L194 HydrophobicContact CD2-CG 4.38Å; W109-L194 HydrophobicContact CE3-CB 3.81Å; W109-L194 HydrophobicContact CE3-CD1 3.63Å; W109-L194 HydrophobicContact CE3-CG 4.21Å; W109-L194 HydrophobicContact CG-CB 3.95Å; W109-L194 HydrophobicContact CG-CD1 4.33Å; W109-L194 HydrophobicContact CH2-CB 4.3Å; W109-L194 HydrophobicContact CZ2-CB 4.05Å; W109-L194 HydrophobicContact CZ3-CB 4.18Å; W109-L194 HydrophobicContact CZ3-CD1 4.25Å; W109-L194 HydrophobicContact CZ3-CD2 4.46Å; W109-E198 HydrophobicContact CZ2-CG 3.91Å; W109-Y429 HydrophobicContact CB-CE1 4.25Å; W109-M435 HydrophobicContact CE3-CE 4.41Å; W109-M435 HydrophobicContact CE3-SD 4.41Å; W109-M435 HydrophobicContact CZ3-CE 4.16Å; W109-M435 HydrophobicContact CZ3-SD 3.82Å |
| 110 | A | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | N108 R114 Y429 V432 M435 | N108-A110 VanDerWaalsContact C-N 3.25Å; N108-A110 PolarHBondContact O-N 2.84Å; N108-A110 WeakPolarHBondContact OD1-CB 3.33Å; N108-A110 PolarHBondContact OD1-N 3.41Å; A110-R114 WeakPolarHBondContact O-CA 3.25Å; A110-R114 VanDerWaalsContact O-CB 3.24Å; A110-R114 WeakPolarHBondContact O-CB 3.25Å; A110-R114 PolarHBondContact O-N 3Å; A110-Y429 HydrophobicContact CB-CD1 3.88Å; A110-V432 HydrophobicContact CB-CB 3.89Å; A110-V432 HydrophobicContact CB-CG1 4.08Å; A110-V432 HydrophobicContact CB-CG2 3.83Å; A110-M435 HydrophobicContact CB-CE 4.24Å; A110-M435 HydrophobicContact CB-CG 3.47Å; A110-M435 VanDerWaalsContact CB-CG 3.47Å; A110-M435 HydrophobicContact CB-SD 3.99Å |
| 111 | V | 96.6 | Very high | 92.4 | Very high | 33 Ų | 33 | 45.6 Ų | 45.6 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -63.6 | -47 | 175 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | N108 W109 H113 V115 F116 V432 | N108-V111 HydrophobicContact CB-CB 4.31Å; N108-V111 HydrophobicContact CB-CG2 3.95Å; N108-V111 PolarHBondContact O-N 3.15Å; W109-V111 VanDerWaalsContact C-N 3.35Å; W109-V111 PolarHBondContact O-N 2.92Å; V111-H113 PolarHBondContact O-N 3.44Å; V111-V115 HydrophobicContact CG1-CB 4.37Å; V111-V115 WeakPolarHBondContact O-CB 3.47Å; V111-V115 PolarHBondContact O-N 3.18Å; V111-V115 VanDerWaalsContact O-N 3.17Å; V111-F116 HydrophobicContact CG1-CD2 4.13Å; V111-F116 HydrophobicContact CG1-CE2 3.76Å; V111-F116 HydrophobicContact CG1-CZ 3.99Å; V111-F116 PolarHBondContact O-N 3.23Å; V111-V432 HydrophobicContact CG2-CG2 3.82Å |
| 112 | G | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -59.5 | -46.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N108 W109 G117 | N108-G112 PolarHBondContact O-N 2.98Å; W109-G112 PolarHBondContact O-N 3.01Å; G112-G117 PolarHBondContact O-N 3.06Å |
| 113 | H | 97 | Very high | 93.3 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -84.7 | -45.3 | -172.3 | -167.5 | 101.2 | 0 | 0 | 0 | 113.1 | W109 V111 G117 G154 F158 E198 | W109-H113 HydrophobicContact CD2-CB 3.96Å; W109-H113 AromaticContact CE2-CG 3.95Å; W109-H113 AromaticContact CE2-ND1 3.86Å; W109-H113 HydrophobicContact CE3-CB 4Å; W109-H113 HydrophobicContact CH2-CB 3.81Å; W109-H113 AromaticContact CH2-CD2 3.66Å; W109-H113 AromaticContact CH2-CG 3.48Å; W109-H113 VanDerWaalsContact CH2-CG 3.48Å; W109-H113 AromaticContact CH2-ND1 3.77Å; W109-H113 HydrophobicContact CZ2-CB 3.76Å; W109-H113 AromaticContact CZ2-CD2 3.99Å; W109-H113 AromaticContact CZ2-CE1 3.77Å; W109-H113 AromaticContact CZ2-CG 3.41Å; W109-H113 VanDerWaalsContact CZ2-CG 3.41Å; W109-H113 AromaticContact CZ2-ND1 3.26Å; W109-H113 VanDerWaalsContact CZ2-ND1 3.26Å; W109-H113 WeakPolarHBondContact CZ2-ND1 3.45Å; W109-H113 HydrophobicContact CZ3-CB 3.93Å; W109-H113 VanDerWaalsContact O-CB 3.3Å; W109-H113 WeakPolarHBondContact O-CB 3.46Å; W109-H113 PolarHBondContact O-N 3.23Å; V111-H113 PolarHBondContact O-N 3.44Å; H113-G117 WeakPolarHBondContact O-CA 3.49Å; H113-G154 PolarHBondContact ND1-O 3.48Å; H113-G154 VanDerWaalsContact ND1-O 3.15Å; H113-F158 PolarHBondContact ND1-N 3.36Å; H113-F158 AromaticContact NE2-CD2 3.93Å; H113-F158 WeakPolarHBondContact O-CD2 3.2Å; H113-E198 IonicContact CE1-OE2 2.69Å |
| 114 | R | 95.3 | Very high | 94.2 | Very high | 97 Ų | 97 | 43.6 Ų | 43.6 | 37% | 0.366 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -88.2 | -46.8 | -175 | -60.2 | -65.9 | -169.4 | 173.3 | 4.2 | 112.5 | A110 S118 V432 G434 M435 | A110-R114 WeakPolarHBondContact O-CA 3.25Å; A110-R114 VanDerWaalsContact O-CB 3.24Å; A110-R114 WeakPolarHBondContact O-CB 3.25Å; A110-R114 PolarHBondContact O-N 3Å; R114-S118 WeakPolarHBondContact O-CB 3.27Å; R114-S118 PolarHBondContact O-OG 3.33Å; R114-V432 HydrophobicContact CB-CG1 3.92Å; R114-V432 HydrophobicContact CG-CG1 4.47Å; R114-G434 PolarHBondContact NH2-O 2.91Å; R114-M435 HydrophobicContact CG-CG 4.15Å; R114-M435 HydrophobicContact CG-SD 4.12Å |
| 115 | V | 95.3 | Very high | 94.8 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 39% | 0.394 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -81.1 | -62.3 | -175 | -175.7 | 0 | 0 | 0 | 0 | 110 | V111 S118 L119 V432 | V111-V115 HydrophobicContact CG1-CB 4.37Å; V111-V115 WeakPolarHBondContact O-CB 3.47Å; V111-V115 PolarHBondContact O-N 3.18Å; V111-V115 VanDerWaalsContact O-N 3.17Å; V115-S118 PolarHBondContact O-N 2.75Å; V115-L119 VanDerWaalsContact O-CB 3.24Å; V115-L119 WeakPolarHBondContact O-CB 3.46Å; V115-L119 PolarHBondContact O-N 3.24Å; V115-V432 HydrophobicContact CG2-CG1 3.62Å |
| 116 | F | 95.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 5% | 0.053 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -71.4 | -35 | -177.7 | -62.4 | -34 | 0 | 0 | 0 | 112.9 | M76 G104 V111 S118 L119 Y120 | M76-F116 HydrophobicContact CB-CD2 4.13Å; M76-F116 HydrophobicContact CB-CE2 3.87Å; M76-F116 HydrophobicContact CB-CZ 4.49Å; M76-F116 HydrophobicContact CG-CD2 3.56Å; M76-F116 HydrophobicContact CG-CE2 3.84Å; M76-F116 HydrophobicContact CG-CG 4.1Å; M76-F116 HydrophobicContact SD-CB 4.3Å; M76-F116 HydrophobicContact SD-CD2 4.18Å; M76-F116 HydrophobicContact SD-CG 4.11Å; G104-F116 VanDerWaalsContact O-CE2 3.3Å; G104-F116 WeakPolarHBondContact O-CE2 3.4Å; G104-F116 VanDerWaalsContact O-CZ 3.26Å; G104-F116 WeakPolarHBondContact O-CZ 3.3Å; V111-F116 HydrophobicContact CG1-CD2 4.13Å; V111-F116 HydrophobicContact CG1-CE2 3.76Å; V111-F116 HydrophobicContact CG1-CZ 3.99Å; V111-F116 PolarHBondContact O-N 3.23Å; F116-S118 PolarHBondContact O-N 3.06Å; F116-L119 HydrophobicContact CD1-CD2 4.49Å; F116-L119 PolarHBondContact O-N 3.26Å; F116-Y120 HydrophobicContact CB-CD2 4.08Å; F116-Y120 HydrophobicContact CB-CE2 4.44Å; F116-Y120 HydrophobicContact CD1-CD2 4.4Å; F116-Y120 AromaticContact CD1-CE2 3.95Å; F116-Y120 HydrophobicContact CD1-CE2 3.95Å; F116-Y120 HydrophobicContact CG-CE2 4.44Å; F116-Y120 WeakPolarHBondContact O-CB 3.02Å; F116-Y120 WeakPolarHBondContact O-CD2 3.43Å; F116-Y120 PolarHBondContact O-N 3.26Å |
| 117 | G | 93.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -52.8 | -53.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G112 H113 Q121 F158 | G112-G117 PolarHBondContact O-N 3.06Å; H113-G117 WeakPolarHBondContact O-CA 3.49Å; G117-Q121 WeakPolarHBondContact O-CA 3.43Å; G117-Q121 VanDerWaalsContact O-CB 3.31Å; G117-Q121 WeakPolarHBondContact O-CB 3.28Å; G117-Q121 PolarHBondContact O-N 3.01Å; G117-F158 VanDerWaalsContact C-CE1 3.44Å; G117-F158 VanDerWaalsContact C-CZ 3.42Å; G117-F158 VanDerWaalsContact CA-CE1 3.5Å; G117-F158 WeakPolarHBondContact O-CE1 3.24Å; G117-F158 WeakPolarHBondContact O-CZ 3.46Å |
| 118 | S | 93.8 | Very high | 95.9 | Very high | 77 Ų | 77 | 42 Ų | 42 | 54% | 0.538 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.2 | -40.9 | 179.2 | -50 | 0 | 0 | 0 | 0 | 112.8 | R114 V115 F116 | R114-S118 WeakPolarHBondContact O-CB 3.27Å; R114-S118 PolarHBondContact O-OG 3.33Å; V115-S118 PolarHBondContact O-N 2.75Å; F116-S118 PolarHBondContact O-N 3.06Å |
| 119 | L | 95.1 | Very high | 95.9 | Very high | 117 Ų | 117 | 45.6 Ų | 45.6 | 61% | 0.613 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -65.9 | -40.3 | -176.7 | -178.8 | 62.8 | 0 | 0 | 0 | 112.7 | V115 F116 | V115-L119 VanDerWaalsContact O-CB 3.24Å; V115-L119 WeakPolarHBondContact O-CB 3.46Å; V115-L119 PolarHBondContact O-N 3.24Å; F116-L119 HydrophobicContact CD1-CD2 4.49Å; F116-L119 PolarHBondContact O-N 3.26Å |
| 120 | Y | 95.7 | Very high | 95.8 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 13% | 0.125 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -102 | 3.5 | -175.6 | -66.2 | -76.3 | 0 | 0 | 0 | 113.5 | M76 I99 D101 F116 D122 Q123 I124 | M76-Y120 HydrophobicContact SD-CD2 3.87Å; M76-Y120 HydrophobicContact SD-CE2 3.61Å; I99-Y120 HydrophobicContact CG2-CD1 4.1Å; I99-Y120 HydrophobicContact CG2-CG 4.45Å; D101-Y120 WeakPolarHBondContact CB-OH 3.26Å; D101-Y120 PolarHBondContact OD2-OH 2.97Å; D101-Y120 VanDerWaalsContact OD2-OH 3.04Å; F116-Y120 HydrophobicContact CB-CD2 4.08Å; F116-Y120 HydrophobicContact CB-CE2 4.44Å; F116-Y120 HydrophobicContact CD1-CD2 4.4Å; F116-Y120 AromaticContact CD1-CE2 3.95Å; F116-Y120 HydrophobicContact CD1-CE2 3.95Å; F116-Y120 HydrophobicContact CG-CE2 4.44Å; F116-Y120 WeakPolarHBondContact O-CB 3.02Å; F116-Y120 WeakPolarHBondContact O-CD2 3.43Å; F116-Y120 PolarHBondContact O-N 3.26Å; Y120-D122 PolarHBondContact O-N 3.28Å; Y120-Q123 PolarHBondContact O-N 3.05Å; Y120-Q123 VanDerWaalsContact O-N 3.12Å; Y120-I124 WeakPolarHBondContact O-CD1 3.48Å; Y120-I124 WeakPolarHBondContact O-CG1 3.36Å; Y120-I124 PolarHBondContact O-N 2.85Å |
| 121 | Q | 95.8 | Very high | 95.6 | Very high | 83 Ų | 83 | 49.7 Ų | 49.7 | 39% | 0.388 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -47.5 | -57.4 | -174.2 | -169.7 | 178.7 | -39.9 | 0 | 0 | 112.5 | G117 Q123 I124 L125 F158 M162 | G117-Q121 WeakPolarHBondContact O-CA 3.43Å; G117-Q121 VanDerWaalsContact O-CB 3.31Å; G117-Q121 WeakPolarHBondContact O-CB 3.28Å; G117-Q121 PolarHBondContact O-N 3.01Å; Q121-Q123 VanDerWaalsContact C-N 3.35Å; Q121-Q123 PolarHBondContact O-N 2.83Å; Q121-I124 PolarHBondContact O-N 2.88Å; Q121-L125 WeakPolarHBondContact O-CB 3.35Å; Q121-L125 PolarHBondContact O-N 3.22Å; Q121-F158 HydrophobicContact CB-CE1 4.38Å; Q121-F158 HydrophobicContact CB-CZ 4.38Å; Q121-F158 HydrophobicContact CG-CE1 4.19Å; Q121-F158 HydrophobicContact CG-CZ 4.08Å; Q121-M162 HydrophobicContact CB-CE 4.22Å; Q121-M162 HydrophobicContact CG-CE 3.56Å; Q121-M162 WeakPolarHBondContact O-CE 3.47Å |
| 122 | D | 96.3 | Very high | 95.5 | Very high | 127 Ų | 127 | 48.7 Ų | 48.7 | 68% | 0.679 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.6 | -39.3 | -176.6 | -65.7 | -26.6 | 0 | 0 | 0 | 112.2 | Y120 L125 E126 | Y120-D122 PolarHBondContact O-N 3.28Å; D122-L125 PolarHBondContact O-N 3.36Å; D122-E126 WeakPolarHBondContact O-CB 3.12Å; D122-E126 PolarHBondContact O-N 2.81Å |
| 123 | Q | 96.6 | Very high | 95.3 | Very high | 86 Ų | 86 | 55.9 Ų | 55.9 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 179.7 | -171.3 | -176.7 | 36.3 | 0 | 0 | 111.5 | Y120 Q121 K127 | Y120-Q123 PolarHBondContact O-N 3.05Å; Y120-Q123 VanDerWaalsContact O-N 3.12Å; Q121-Q123 VanDerWaalsContact C-N 3.35Å; Q121-Q123 PolarHBondContact O-N 2.83Å; Q123-K127 HydrophobicContact CG-CD 4.48Å; Q123-K127 WeakPolarHBondContact O-CG 3.24Å; Q123-K127 PolarHBondContact O-N 3.03Å |
| 124 | I | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.6 | -48.1 | 177.7 | -60.6 | 159.1 | 0 | 0 | 0 | 109.6 | I74 I99 Y120 Q121 E126 K127 L128 L155 L159 M162 | I74-I124 HydrophobicContact CD1-CG1 4.3Å; I74-I124 HydrophobicContact CD1-CG2 3.91Å; I99-I124 HydrophobicContact CD1-CB 3.9Å; I99-I124 HydrophobicContact CD1-CG1 3.34Å; I99-I124 HydrophobicContact CD1-CG2 4.27Å; Y120-I124 WeakPolarHBondContact O-CD1 3.48Å; Y120-I124 WeakPolarHBondContact O-CG1 3.36Å; Y120-I124 PolarHBondContact O-N 2.85Å; Q121-I124 PolarHBondContact O-N 2.88Å; I124-E126 VanDerWaalsContact C-N 3.34Å; I124-E126 PolarHBondContact O-N 2.73Å; I124-K127 PolarHBondContact O-N 3.03Å; I124-K127 VanDerWaalsContact O-N 3.13Å; I124-L128 HydrophobicContact CG2-CD1 3.61Å; I124-L128 HydrophobicContact CG2-CG 4.13Å; I124-L128 WeakPolarHBondContact O-CG 3.2Å; I124-L128 PolarHBondContact O-N 2.98Å; I124-L155 HydrophobicContact CD1-CD1 3.92Å; I124-L155 HydrophobicContact CD1-CD2 4.49Å; I124-L155 HydrophobicContact CD1-CG 4.5Å; I124-L159 HydrophobicContact CB-CD2 4.28Å; I124-L159 HydrophobicContact CD1-CD2 4.21Å; I124-L159 HydrophobicContact CG2-CD2 3.19Å; I124-M162 HydrophobicContact CB-CE 4.22Å; I124-M162 HydrophobicContact CB-SD 4.37Å; I124-M162 HydrophobicContact CG2-CE 4.42Å; I124-M162 HydrophobicContact CG2-SD 4.08Å |
| 125 | L | 96.6 | Very high | 94.7 | Very high | 13 Ų | 13 | 54 Ų | 54 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -45.9 | -179.7 | 179.6 | 53.9 | 0 | 0 | 0 | 112 | Q121 D122 K127 L128 R129 M162 E166 | Q121-L125 WeakPolarHBondContact O-CB 3.35Å; Q121-L125 PolarHBondContact O-N 3.22Å; D122-L125 PolarHBondContact O-N 3.36Å; L125-K127 VanDerWaalsContact C-N 3.3Å; L125-K127 PolarHBondContact O-N 3.3Å; L125-L128 PolarHBondContact O-N 2.98Å; L125-R129 HydrophobicContact CD1-CG 4.12Å; L125-R129 WeakPolarHBondContact O-CB 3.33Å; L125-R129 WeakPolarHBondContact O-CG 3.19Å; L125-R129 PolarHBondContact O-N 2.6Å; L125-M162 HydrophobicContact CB-SD 3.97Å; L125-M162 HydrophobicContact CD1-CG 4.37Å; L125-M162 HydrophobicContact CD1-SD 4.4Å; L125-E166 HydrophobicContact CD1-CB 4.03Å; L125-E166 HydrophobicContact CD1-CG 3.54Å; L125-E166 HydrophobicContact CD2-CG 4.18Å |
| 126 | E | 96.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 58.1 Ų | 58.1 | 38% | 0.383 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 178.2 | 179.7 | 61.6 | -171.1 | 0 | 0 | 112.6 | D122 I124 K130 | D122-E126 WeakPolarHBondContact O-CB 3.12Å; D122-E126 PolarHBondContact O-N 2.81Å; I124-E126 VanDerWaalsContact C-N 3.34Å; I124-E126 PolarHBondContact O-N 2.73Å; E126-K130 HydrophobicContact CG-CD 4.5Å; E126-K130 WeakPolarHBondContact O-CB 3.3Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 2.87Å; E126-K130 WeakPolarHBondContact OE1-CE 3.37Å; E126-K130 IonicContact OE1-NZ 2.6Å; E126-K130 PolarHBondContact OE1-NZ 2.84Å |
| 127 | K | 96.3 | Very high | 94.2 | Very high | 24 Ų | 24 | 60.9 Ų | 60.9 | 10% | 0.104 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.4 | -38.5 | 177.7 | -76.3 | 177.7 | -172.8 | -168.4 | 0 | 112.5 | V72 K96 Q97 L98 I99 Q123 I124 L125 S131 | V72-K127 HydrophobicContact CG1-CB 4.4Å; K96-K127 WeakPolarHBondContact O-CD 3.37Å; K96-K127 WeakPolarHBondContact O-CE 3.45Å; K96-K127 PolarHBondContact O-NZ 3.4Å; Q97-K127 VanDerWaalsContact OE1-CB 3.26Å; Q97-K127 PolarHBondContact OE1-O 2.66Å; L98-K127 PolarHBondContact O-NZ 3.24Å; I99-K127 HydrophobicContact CD1-CD 3.72Å; I99-K127 HydrophobicContact CG1-CD 3.47Å; I99-K127 VanDerWaalsContact CG1-CD 3.47Å; Q123-K127 HydrophobicContact CG-CD 4.48Å; Q123-K127 WeakPolarHBondContact O-CG 3.24Å; Q123-K127 PolarHBondContact O-N 3.03Å; I124-K127 PolarHBondContact O-N 3.03Å; I124-K127 VanDerWaalsContact O-N 3.13Å; L125-K127 VanDerWaalsContact C-N 3.3Å; L125-K127 PolarHBondContact O-N 3.3Å; K127-S131 WeakPolarHBondContact O-CB 3.43Å; K127-S131 PolarHBondContact O-N 3.19Å; K127-S131 PolarHBondContact O-OG 2.86Å |
| 128 | L | 96.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 173.1 | -69.7 | 168.5 | 0 | 0 | 0 | 111 | V7 V72 I124 L125 K130 S131 A132 F141 L159 M162 L163 | V7-L128 HydrophobicContact CG2-CD2 3.6Å; V72-L128 HydrophobicContact CB-CD2 4.47Å; V72-L128 HydrophobicContact CG2-CD2 4.1Å; I124-L128 HydrophobicContact CG2-CD1 3.61Å; I124-L128 HydrophobicContact CG2-CG 4.13Å; I124-L128 WeakPolarHBondContact O-CG 3.2Å; I124-L128 PolarHBondContact O-N 2.98Å; L125-L128 PolarHBondContact O-N 2.98Å; L128-K130 PolarHBondContact O-N 2.8Å; L128-S131 PolarHBondContact O-N 2.71Å; L128-A132 WeakPolarHBondContact O-CB 3.48Å; L128-A132 PolarHBondContact O-N 3.33Å; L128-F141 HydrophobicContact CD2-CD1 4.47Å; L128-F141 HydrophobicContact CD2-CE1 4.21Å; L128-L159 HydrophobicContact CD1-CD2 4.29Å; L128-M162 HydrophobicContact CD1-SD 3.96Å; L128-L163 HydrophobicContact CD1-CD2 3.85Å; L128-L163 HydrophobicContact CD1-CG 4.39Å; L128-L163 HydrophobicContact CD2-CD2 4.37Å |
| 129 | R | 95.9 | Very high | 94.1 | Very high | 92 Ų | 92 | 59.4 Ų | 59.4 | 35% | 0.347 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.8 | -50.4 | 175 | -76.5 | 178.2 | 179 | 161.8 | -3.1 | 111.8 | L125 S131 A132 E133 E166 F167 | L125-R129 HydrophobicContact CD1-CG 4.12Å; L125-R129 WeakPolarHBondContact O-CB 3.33Å; L125-R129 WeakPolarHBondContact O-CG 3.19Å; L125-R129 PolarHBondContact O-N 2.6Å; R129-S131 VanDerWaalsContact C-N 3.31Å; R129-S131 PolarHBondContact O-N 2.87Å; R129-A132 WeakPolarHBondContact O-CB 3.21Å; R129-A132 PolarHBondContact O-N 2.77Å; R129-A132 VanDerWaalsContact O-N 3.13Å; R129-E133 WeakPolarHBondContact O-CG 3.28Å; R129-E133 PolarHBondContact O-N 2.95Å; R129-E166 IonicContact CZ-OE2 3.07Å; R129-E166 IonicContact NE-OE2 2.63Å; R129-E166 PolarHBondContact NE-OE2 2.83Å; R129-E166 IonicContact NH2-OE1 2.73Å; R129-E166 PolarHBondContact NH2-OE1 2.9Å; R129-E166 IonicContact NH2-OE2 3.65Å; R129-E166 PolarHBondContact NH2-OE2 2.88Å; R129-F167 HydrophobicContact CG-CZ 3.94Å |
| 130 | K | 93.9 | Very high | 94.1 | Very high | 86 Ų | 86 | 53.9 Ų | 53.9 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.4 | -43.6 | 175.7 | -78.4 | 174.4 | 175 | 142.6 | 0 | 112.8 | E126 L128 A132 E133 H134 | E126-K130 HydrophobicContact CG-CD 4.5Å; E126-K130 WeakPolarHBondContact O-CB 3.3Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 2.87Å; E126-K130 WeakPolarHBondContact OE1-CE 3.37Å; E126-K130 IonicContact OE1-NZ 2.6Å; E126-K130 PolarHBondContact OE1-NZ 2.84Å; L128-K130 PolarHBondContact O-N 2.8Å; K130-A132 VanDerWaalsContact C-N 3.31Å; K130-A132 PolarHBondContact O-N 3.41Å; K130-E133 PolarHBondContact O-N 2.87Å; K130-H134 VanDerWaalsContact O-CG 3.26Å; K130-H134 PolarHBondContact O-N 3.48Å; K130-H134 VanDerWaalsContact O-N 3.12Å; K130-H134 PolarHBondContact O-ND1 2.84Å |
| 131 | S | 93.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 178.8 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | V72 Q97 K127 L128 R129 C135 | V72-S131 WeakPolarHBondContact CG2-OG 3.29Å; Q97-S131 PolarHBondContact OE1-OG 3.39Å; K127-S131 WeakPolarHBondContact O-CB 3.43Å; K127-S131 PolarHBondContact O-N 3.19Å; K127-S131 PolarHBondContact O-OG 2.86Å; L128-S131 PolarHBondContact O-N 2.71Å; R129-S131 VanDerWaalsContact C-N 3.31Å; R129-S131 PolarHBondContact O-N 2.87Å; S131-C135 PolarHBondContact O-SG 3.49Å |
| 132 | A | 94.3 | Very high | 94.3 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.9 | -43.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L128 R129 K130 H134 C135 L138 F141 F167 | L128-A132 WeakPolarHBondContact O-CB 3.48Å; L128-A132 PolarHBondContact O-N 3.33Å; R129-A132 WeakPolarHBondContact O-CB 3.21Å; R129-A132 PolarHBondContact O-N 2.77Å; R129-A132 VanDerWaalsContact O-N 3.13Å; K130-A132 VanDerWaalsContact C-N 3.31Å; K130-A132 PolarHBondContact O-N 3.41Å; A132-H134 PolarHBondContact O-N 3.27Å; A132-C135 WeakPolarHBondContact O-CA 3.05Å; A132-C135 VanDerWaalsContact O-CB 3.22Å; A132-C135 WeakPolarHBondContact O-CB 3.49Å; A132-C135 PolarHBondContact O-N 3.43Å; A132-L138 HydrophobicContact CB-CD2 3.71Å; A132-F141 HydrophobicContact CB-CZ 4.48Å; A132-F167 HydrophobicContact CB-CE1 3.84Å; A132-F167 HydrophobicContact CB-CZ 4.02Å |
| 133 | E | 92.3 | Very high | 94.4 | Very high | 151 Ų | 151 | 42.5 Ų | 42.5 | 71% | 0.706 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62 | -29.2 | 176.9 | -74.8 | 175.4 | 175.9 | 0 | 0 | 113 | R129 K130 C135 | R129-E133 WeakPolarHBondContact O-CG 3.28Å; R129-E133 PolarHBondContact O-N 2.95Å; K130-E133 PolarHBondContact O-N 2.87Å; E133-C135 PolarHBondContact O-N 3.34Å |
| 134 | H | 89.6 | Confident | 94.5 | Very high | 51 Ų | 51 | 38.4 Ų | 38.4 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -6.3 | 172.9 | -63.6 | 149.8 | 0 | 0 | 0 | 113.4 | R46 D55 R70 K130 A132 | R46-H134 VanDerWaalsContact CZ-ND1 3.3Å; R46-H134 PolarHBondContact NH1-CE1 2.73Å; R46-H134 PolarHBondContact NH1-ND1 3.47Å; R46-H134 PolarHBondContact NH1-NE2 3.14Å; D55-H134 IonicContact OD2-CE1 3.97Å; D55-H134 PolarHBondContact OD2-CE1 2.8Å; D55-H134 IonicContact OD2-NE2 2.95Å; D55-H134 PolarHBondContact OD2-NE2 3.26Å; R70-H134 VanDerWaalsContact NH1-C 3.29Å; R70-H134 PolarHBondContact NH1-O 3.11Å; K130-H134 VanDerWaalsContact O-CG 3.26Å; K130-H134 PolarHBondContact O-N 3.48Å; K130-H134 VanDerWaalsContact O-N 3.12Å; K130-H134 PolarHBondContact O-ND1 2.84Å; A132-H134 PolarHBondContact O-N 3.27Å |
| 135 | C | 91.1 | Very high | 94.5 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 11% | 0.108 | 19% | 0.191 | C | C | . | . | trans | -96 | 128.6 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | Q3 R70 S131 A132 E133 C137 L138 | Q3-C135 HydrophobicContact CB-CB 4.09Å; Q3-C135 VanDerWaalsContact OE1-CB 3.23Å; R70-C135 PolarHBondContact NH1-SG 2.97Å; S131-C135 PolarHBondContact O-SG 3.49Å; A132-C135 WeakPolarHBondContact O-CA 3.05Å; A132-C135 VanDerWaalsContact O-CB 3.22Å; A132-C135 WeakPolarHBondContact O-CB 3.49Å; A132-C135 PolarHBondContact O-N 3.43Å; E133-C135 PolarHBondContact O-N 3.34Å; C135-C137 VanDerWaalsContact C-N 3.32Å; C135-L138 HydrophobicContact CB-CB 4.09Å | ||
| 136 | D | 89.4 | Confident | 94.5 | Very high | 152 Ų | 152 | 38.8 Ų | 38.8 | 81% | 0.813 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -67.9 | -35.2 | 169.7 | -49.4 | -65.2 | 0 | 0 | 0 | 111.2 | Q3 | Q3-D136 PolarHBondContact NE2-OD2 3.06Š|
| 137 | C | 90.4 | Very high | 94.5 | Very high | 70 Ų | 70 | 34.9 Ų | 34.9 | 47% | 0.473 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -148.1 | 92 | 178 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | Q3 C135 Q139 | Q3-C137 PolarHBondContact N-O 3.31Å; C135-C137 VanDerWaalsContact C-N 3.32Å; C137-Q139 PolarHBondContact O-N 3.02Å |
| 138 | L | 94.1 | Very high | 94.3 | Very high | 37 Ų | 37 | 34 Ų | 34 | 19% | 0.194 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 119.7 | 176.2 | 179.9 | 63.1 | 0 | 0 | 0 | 110.3 | V5 A132 C135 F141 V170 | V5-L138 HydrophobicContact CB-CD1 4.43Å; V5-L138 HydrophobicContact CG2-CD1 3.83Å; A132-L138 HydrophobicContact CB-CD2 3.71Å; C135-L138 HydrophobicContact CB-CB 4.09Å; L138-F141 HydrophobicContact CD2-CE1 4.38Å; L138-F141 HydrophobicContact CD2-CE2 3.76Å; L138-F141 HydrophobicContact CD2-CZ 3.62Å; L138-V170 HydrophobicContact CD2-CG1 3.96Å; L138-V170 HydrophobicContact CD2-CG2 4.12Å; L138-V170 HydrophobicContact CG-CG1 3.89Å; L138-V170 HydrophobicContact CG-CG2 4.42Å |
| 139 | Q | 91.3 | Very high | 94.1 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -45.3 | -180 | 172.7 | 174 | 39.8 | 0 | 0 | 112.6 | T2 Q3 C137 L283 N284 | T2-Q139 HydrophobicContact CG2-CB 3.92Å; T2-Q139 HydrophobicContact CG2-CG 4.26Å; T2-Q139 PolarHBondContact OG1-OE1 3.26Å; Q3-Q139 PolarHBondContact O-N 3.43Å; C137-Q139 PolarHBondContact O-N 3.02Å; Q139-L283 HydrophobicContact CG-CB 4.36Å; Q139-N284 WeakPolarHBondContact CG-OD1 3.35Å |
| 140 | C | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 159.6 | -176.6 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | S4 V5 F142 Y171 F173 | S4-C140 WeakPolarHBondContact CA-O 3.3Å; S4-C140 PolarHBondContact OG-SG 2.69Å; S4-C140 VanDerWaalsContact OG-SG 3.33Å; V5-C140 PolarHBondContact N-O 3.17Å; C140-F142 WeakPolarHBondContact SG-CE2 3.39Å; C140-Y171 CarbonylContact C-O 3.38Å; C140-Y171 WeakPolarHBondContact CA-O 3.45Å; C140-Y171 VanDerWaalsContact CB-O 3.23Å; C140-Y171 WeakPolarHBondContact CB-O 3.2Å; C140-F173 HydrophobicContact CB-CD2 3.87Å; C140-F173 HydrophobicContact CB-CE2 4.23Å |
| 141 | F | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.7 | 161.8 | -66.7 | -82.2 | 0 | 0 | 0 | 109.6 | V5 V7 L128 A132 L138 I143 L163 F167 V170 Y171 F173 | V5-F141 HydrophobicContact CB-CD1 3.75Å; V5-F141 HydrophobicContact CB-CE1 3.86Å; V5-F141 HydrophobicContact CG1-CD1 3.98Å; V5-F141 HydrophobicContact CG1-CE1 4.02Å; V5-F141 HydrophobicContact CG2-CE1 4.31Å; V5-F141 WeakPolarHBondContact O-CA 3.38Å; V7-F141 HydrophobicContact CG2-CD1 4.29Å; L128-F141 HydrophobicContact CD2-CD1 4.47Å; L128-F141 HydrophobicContact CD2-CE1 4.21Å; A132-F141 HydrophobicContact CB-CZ 4.48Å; L138-F141 HydrophobicContact CD2-CE1 4.38Å; L138-F141 HydrophobicContact CD2-CE2 3.76Å; L138-F141 HydrophobicContact CD2-CZ 3.62Å; F141-I143 HydrophobicContact CB-CD1 4.09Å; F141-L163 HydrophobicContact CB-CD1 3.97Å; F141-L163 HydrophobicContact CD1-CD1 4.41Å; F141-L163 HydrophobicContact CD1-CD2 4.03Å; F141-L163 HydrophobicContact CD2-CD1 4.29Å; F141-L163 HydrophobicContact CD2-CD2 3.81Å; F141-L163 HydrophobicContact CE1-CD2 3.93Å; F141-L163 HydrophobicContact CE2-CD2 3.7Å; F141-L163 HydrophobicContact CG-CD1 3.98Å; F141-L163 HydrophobicContact CG-CD2 3.97Å; F141-L163 HydrophobicContact CZ-CD2 3.76Å; F141-F167 HydrophobicContact CE2-CB 3.92Å; F141-F167 HydrophobicContact CE2-CD1 4.38Å; F141-F167 AromaticContact CE2-CD2 3.81Å; F141-F167 HydrophobicContact CE2-CD2 3.81Å; F141-F167 HydrophobicContact CE2-CE2 4.43Å; F141-F167 AromaticContact CE2-CG 3.79Å; F141-F167 HydrophobicContact CE2-CG 3.79Å; F141-F167 HydrophobicContact CZ-CD1 4.45Å; F141-F167 AromaticContact CZ-CD2 3.86Å; F141-F167 HydrophobicContact CZ-CD2 3.86Å; F141-F167 HydrophobicContact CZ-CE2 4.01Å; F141-F167 HydrophobicContact CZ-CG 4.09Å; F141-F167 HydrophobicContact CZ-CZ 4.36Å; F141-V170 HydrophobicContact CD2-CB 4.29Å; F141-V170 HydrophobicContact CD2-CG1 3.58Å; F141-V170 HydrophobicContact CE2-CB 4.14Å; F141-V170 HydrophobicContact CE2-CG1 3.68Å; F141-Y171 PolarHBondContact N-O 2.87Å; F141-F173 PolarHBondContact O-N 3Å |
| 142 | F | 97.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 114.6 | 167.4 | -75.6 | -72.6 | 0 | 0 | 0 | 109.2 | V5 V6 V7 F44 C140 F173 L266 L269 T270 L283 | V5-F142 PolarHBondContact O-N 3.46Å; V6-F142 CarbonylContact C-O 3.58Å; V6-F142 WeakPolarHBondContact CA-O 3.47Å; V6-F142 HydrophobicContact CB-CB 4.48Å; V6-F142 HydrophobicContact CG1-CB 4.27Å; V6-F142 HydrophobicContact CG2-CB 4.26Å; V6-F142 HydrophobicContact CG2-CD2 4.49Å; V7-F142 PolarHBondContact N-O 3.45Å; F44-F142 HydrophobicContact CE1-CD2 4.23Å; F44-F142 HydrophobicContact CE1-CE2 4.23Å; F44-F142 HydrophobicContact CZ-CE2 4.31Å; C140-F142 WeakPolarHBondContact SG-CE2 3.39Å; F142-F173 CarbonylContact C-O 3.54Å; F142-F173 WeakPolarHBondContact CA-O 3.48Å; F142-F173 HydrophobicContact CD1-CB 3.55Å; F142-F173 HydrophobicContact CD1-CG 4.38Å; F142-F173 HydrophobicContact CE1-CB 3.64Å; F142-F173 HydrophobicContact CE1-CD1 4.5Å; F142-F173 AromaticContact CE1-CG 3.99Å; F142-F173 HydrophobicContact CE1-CG 3.99Å; F142-L266 HydrophobicContact CD1-CD2 4.49Å; F142-L269 HydrophobicContact CE1-CD2 3.74Å; F142-L269 HydrophobicContact CZ-CD2 4.27Å; F142-T270 HydrophobicContact CE2-CG2 3.86Å; F142-T270 HydrophobicContact CZ-CG2 3.61Å; F142-L283 HydrophobicContact CE2-CD1 3.81Å; F142-L283 HydrophobicContact CZ-CD1 3.55Å; F142-L283 HydrophobicContact CZ-CD2 4.16Å; F142-L283 HydrophobicContact CZ-CG 4.48Å |
| 143 | I | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.6 | 174.9 | -56.6 | 89 | 0 | 0 | 0 | 108.4 | V7 V9 F141 L160 L163 R172 F173 V174 T175 | V7-I143 HydrophobicContact CB-CG1 4.49Å; V7-I143 WeakPolarHBondContact O-CA 3.1Å; V9-I143 HydrophobicContact CG2-CG2 4.45Å; F141-I143 HydrophobicContact CB-CD1 4.09Å; I143-L160 HydrophobicContact CB-CD2 4.45Å; I143-L160 HydrophobicContact CD1-CD2 3.64Å; I143-L160 HydrophobicContact CG1-CD2 3.93Å; I143-L163 HydrophobicContact CD1-CD1 4.03Å; I143-L163 HydrophobicContact CG1-CD1 4.28Å; I143-R172 HydrophobicContact CD1-CB 4.17Å; I143-F173 PolarHBondContact N-O 3.3Å; I143-V174 HydrophobicContact CB-CG1 4.44Å; I143-V174 HydrophobicContact CB-CG2 4.41Å; I143-V174 HydrophobicContact CD1-CG2 4.32Å; I143-V174 CarbonylContact O-C 3.48Å; I143-V174 WeakPolarHBondContact O-CA 3.34Å; I143-T175 PolarHBondContact O-N 3.25Å |
| 144 | I | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.1 | 177.3 | -48.7 | 172.9 | 0 | 0 | 0 | 108.4 | V6 V7 V9 G13 I16 I177 L266 | V6-I144 HydrophobicContact CG1-CD1 3.66Å; V6-I144 HydrophobicContact CG1-CG1 4.22Å; V7-I144 PolarHBondContact O-N 3.13Å; V9-I144 PolarHBondContact N-O 3Å; G13-I144 WeakPolarHBondContact CA-O 3.45Å; I16-I144 HydrophobicContact CB-CG2 4.08Å; I16-I144 HydrophobicContact CD1-CG2 4.39Å; I16-I144 HydrophobicContact CG2-CG2 3.86Å; I144-I177 HydrophobicContact CG2-CD1 4.43Å; I144-L266 HydrophobicContact CD1-CD1 3.5Å; I144-L266 HydrophobicContact CG1-CD1 4.19Å |
| 145 | H | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 165.3 | -175.5 | 77.1 | 134.9 | 0 | 0 | 0 | 112.6 | V9 G152 V174 T175 I177 | V9-H145 HydrophobicContact CB-CB 4.2Å; H145-G152 WeakPolarHBondContact CB-O 3.44Å; H145-G152 PolarHBondContact ND1-O 3.1Å; H145-V174 VanDerWaalsContact NE2-CG1 3.31Å; H145-V174 WeakPolarHBondContact NE2-CG1 3.32Å; H145-T175 PolarHBondContact N-O 3.43Å; H145-I177 VanDerWaalsContact O-CD1 3.25Å; H145-I177 WeakPolarHBondContact O-CD1 3.46Å; H145-I177 PolarHBondContact O-N 2.84Å |
| 146 | S | 96.1 | Very high | 95.1 | Very high | 20 Ų | 20 | 15.5 Ų | 15.5 | 14% | 0.14 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 150.2 | 171.5 | 65 | 0 | 0 | 0 | 0 | 112.1 | G152 S153 | S146-G152 CarbonylContact O-C 3.57Å; S146-G152 VanDerWaalsContact O-C 3.24Å; S146-S153 WeakPolarHBondContact O-CA 3.41Å; S146-S153 WeakPolarHBondContact O-CB 3.47Å; S146-S153 PolarHBondContact O-N 3Å |
| 147 | M | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -85.2 | -22.8 | 175.4 | -64 | -63.2 | -76.2 | 0 | 0 | 112.6 | S153 I177 Y178 N191 S192 A195 M196 L199 | M147-S153 VanDerWaalsContact O-CB 3.31Å; M147-S153 WeakPolarHBondContact O-CB 3.31Å; M147-I177 PolarHBondContact N-O 2.91Å; M147-Y178 HydrophobicContact CG-CD2 4.21Å; M147-Y178 HydrophobicContact CG-CE2 4.19Å; M147-Y178 HydrophobicContact CG-CG 4.42Å; M147-N191 CarbonylContact O-C 3.52Å; M147-N191 WeakPolarHBondContact O-CB 3.36Å; M147-S192 VanDerWaalsContact CE-O 3.24Å; M147-S192 WeakPolarHBondContact CE-O 3.32Å; M147-S192 WeakPolarHBondContact O-CA 3.31Å; M147-S192 PolarHBondContact O-N 2.62Å; M147-S192 PolarHBondContact O-OG 3.15Å; M147-S192 VanDerWaalsContact O-OG 3.12Å; M147-A195 HydrophobicContact CE-CB 3.64Å; M147-A195 HydrophobicContact SD-CB 3.95Å; M147-M196 HydrophobicContact CE-CB 4.05Å; M147-L199 HydrophobicContact CE-CD1 3.55Å; M147-L199 HydrophobicContact SD-CD1 3.61Å |
| 148 | G | 92.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 6.1 Ų | 6.1 | 7% | 0.072 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -87.3 | -29.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116 | N191 | G148-N191 PolarHBondContact O-ND2 3.33Š|
| 149 | G | 92.2 | Very high | 96 | Very high | 13 Ų | 13 | 4.3 Ų | 4.3 | 13% | 0.134 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -78.6 | -178 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S153 N191 | G149-S153 VanDerWaalsContact O-CB 3.31Å; G149-S153 WeakPolarHBondContact O-CB 3.42Å; G149-S153 PolarHBondContact O-OG 3.44Å; G149-N191 PolarHBondContact O-ND2 3.18Å |
| 150 | G | 93.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 3.9 Ų | 3.9 | 1% | 0.01 | 3% | 0.027 | C | C | . | . | S | Bend | trans | -90.6 | -48.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S105 G154 | S105-G150 VanDerWaalsContact OG-CA 3.24Å; S105-G150 WeakPolarHBondContact OG-CA 3.13Å; G150-G154 WeakPolarHBondContact O-CA 3.28Å; G150-G154 PolarHBondContact O-N 2.92Å |
| 151 | T | 95.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 8.4 Ų | 8.4 | 5% | 0.049 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -72.6 | -52 | -177.2 | -53 | 0 | 0 | 0 | 0 | 110 | V9 M76 S105 S153 L155 G156 | V9-T151 HydrophobicContact CG1-CG2 4.38Å; M76-T151 HydrophobicContact CB-CG2 4.2Å; M76-T151 HydrophobicContact CG-CG2 3.72Å; S105-T151 WeakPolarHBondContact CB-OG1 3.36Å; S105-T151 PolarHBondContact OG-N 2.83Å; S105-T151 PolarHBondContact OG-OG1 3.5Å; T151-S153 PolarHBondContact O-N 2.92Å; T151-L155 HydrophobicContact CG2-CB 4.44Å; T151-L155 HydrophobicContact CG2-CD2 4.36Å; T151-L155 WeakPolarHBondContact O-CA 3.32Å; T151-L155 VanDerWaalsContact O-CB 3.25Å; T151-L155 WeakPolarHBondContact O-CB 3.32Å; T151-L155 PolarHBondContact O-N 3.17Å; T151-G156 PolarHBondContact O-N 2.82Å |
| 152 | G | 95.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 9 Ų | 9 | 3% | 0.031 | 5% | 0.05 | C | C | . | . | I | π-helix | trans | -56.9 | -51 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H145 S146 G156 | H145-G152 WeakPolarHBondContact CB-O 3.44Å; H145-G152 PolarHBondContact ND1-O 3.1Å; S146-G152 CarbonylContact O-C 3.57Å; S146-G152 VanDerWaalsContact O-C 3.24Å; G152-G156 WeakPolarHBondContact O-CA 3.46Å; G152-G156 PolarHBondContact O-N 3.31Å; G152-G156 VanDerWaalsContact O-N 3.17Å |
| 153 | S | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | I | π-helix | trans | -76.1 | -49.5 | -176.1 | 74.3 | 0 | 0 | 0 | 0 | 111.8 | W109 S146 M147 G149 T151 T157 | W109-S153 VanDerWaalsContact CD1-C 3.5Å; W109-S153 VanDerWaalsContact CD1-OG 3.3Å; S146-S153 WeakPolarHBondContact O-CA 3.41Å; S146-S153 WeakPolarHBondContact O-CB 3.47Å; S146-S153 PolarHBondContact O-N 3Å; M147-S153 VanDerWaalsContact O-CB 3.31Å; M147-S153 WeakPolarHBondContact O-CB 3.31Å; G149-S153 VanDerWaalsContact O-CB 3.31Å; G149-S153 WeakPolarHBondContact O-CB 3.42Å; G149-S153 PolarHBondContact O-OG 3.44Å; T151-S153 PolarHBondContact O-N 2.92Å; S153-T157 WeakPolarHBondContact O-CB 3.44Å; S153-T157 VanDerWaalsContact O-CG2 3.31Å; S153-T157 WeakPolarHBondContact O-CG2 3.26Å; S153-T157 PolarHBondContact O-N 2.8Å; S153-T157 VanDerWaalsContact O-N 3.15Å; S153-T157 PolarHBondContact O-OG1 3.41Å |
| 154 | G | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -70.1 | -63.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H113 G150 G156 T157 F158 | H113-G154 PolarHBondContact ND1-O 3.48Å; H113-G154 VanDerWaalsContact ND1-O 3.15Å; G150-G154 WeakPolarHBondContact O-CA 3.28Å; G150-G154 PolarHBondContact O-N 2.92Å; G154-G156 VanDerWaalsContact C-N 3.32Å; G154-G156 PolarHBondContact O-N 2.95Å; G154-T157 PolarHBondContact O-N 3.22Å; G154-T157 PolarHBondContact O-OG1 3.25Å; G154-T157 VanDerWaalsContact O-OG1 3.1Å; G154-F158 PolarHBondContact O-N 3.36Å |
| 155 | L | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -67.8 | -35.9 | -179.8 | -169.1 | 58.7 | 0 | 0 | 0 | 111 | V9 I74 M76 I124 T151 T157 F158 L159 | V9-L155 HydrophobicContact CG1-CB 4.26Å; V9-L155 HydrophobicContact CG1-CG 4.5Å; I74-L155 HydrophobicContact CG2-CD2 3.4Å; I74-L155 VanDerWaalsContact CG2-CD2 3.4Å; I74-L155 HydrophobicContact CG2-CG 4.35Å; M76-L155 HydrophobicContact CE-CD2 4.12Å; M76-L155 HydrophobicContact CG-CD2 4.37Å; M76-L155 HydrophobicContact SD-CD2 4.31Å; I124-L155 HydrophobicContact CD1-CD1 3.92Å; I124-L155 HydrophobicContact CD1-CD2 4.49Å; I124-L155 HydrophobicContact CD1-CG 4.5Å; T151-L155 HydrophobicContact CG2-CB 4.44Å; T151-L155 HydrophobicContact CG2-CD2 4.36Å; T151-L155 WeakPolarHBondContact O-CA 3.32Å; T151-L155 VanDerWaalsContact O-CB 3.25Å; T151-L155 WeakPolarHBondContact O-CB 3.32Å; T151-L155 PolarHBondContact O-N 3.17Å; L155-T157 VanDerWaalsContact C-N 3.29Å; L155-T157 PolarHBondContact O-N 3.43Å; L155-F158 HydrophobicContact CD1-CD1 4.15Å; L155-F158 PolarHBondContact O-N 3.14Å; L155-L159 VanDerWaalsContact O-CG 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.4Å; L155-L159 PolarHBondContact O-N 3.35Å; L155-L159 VanDerWaalsContact O-N 3.14Å |
| 156 | G | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.4 | -37.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | T151 G152 G154 | T151-G156 PolarHBondContact O-N 2.82Å; G152-G156 WeakPolarHBondContact O-CA 3.46Å; G152-G156 PolarHBondContact O-N 3.31Å; G152-G156 VanDerWaalsContact O-N 3.17Å; G154-G156 VanDerWaalsContact C-N 3.32Å; G154-G156 PolarHBondContact O-N 2.95Å |
| 157 | T | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -82.7 | -31.5 | 176.5 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | W109 S153 G154 L155 L159 L160 A195 E198 L199 | W109-T157 PolarHBondContact NE1-OG1 3.06Å; S153-T157 WeakPolarHBondContact O-CB 3.44Å; S153-T157 VanDerWaalsContact O-CG2 3.31Å; S153-T157 WeakPolarHBondContact O-CG2 3.26Å; S153-T157 PolarHBondContact O-N 2.8Å; S153-T157 VanDerWaalsContact O-N 3.15Å; S153-T157 PolarHBondContact O-OG1 3.41Å; G154-T157 PolarHBondContact O-N 3.22Å; G154-T157 PolarHBondContact O-OG1 3.25Å; G154-T157 VanDerWaalsContact O-OG1 3.1Å; L155-T157 VanDerWaalsContact C-N 3.29Å; L155-T157 PolarHBondContact O-N 3.43Å; T157-L159 PolarHBondContact O-N 2.94Å; T157-L160 HydrophobicContact CG2-CD1 4.26Å; T157-L160 WeakPolarHBondContact O-CB 3.24Å; T157-L160 PolarHBondContact O-N 3.05Å; T157-A195 HydrophobicContact CG2-CB 3.67Å; T157-A195 WeakPolarHBondContact CG2-O 3.3Å; T157-E198 HydrophobicContact CG2-CB 4.1Å; T157-L199 HydrophobicContact CG2-CD2 4.47Å; T157-L199 HydrophobicContact CG2-CG 4.22Å |
| 158 | F | 97.6 | Very high | 96.1 | Very high | 25 Ų | 25 | 26.1 Ų | 26.1 | 11% | 0.11 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.7 | -37.1 | 170.5 | 179.2 | -97.8 | 0 | 0 | 0 | 112 | H113 G117 Q121 G154 L155 L160 K161 M162 | H113-F158 PolarHBondContact ND1-N 3.36Å; H113-F158 AromaticContact NE2-CD2 3.93Å; H113-F158 WeakPolarHBondContact O-CD2 3.2Å; G117-F158 VanDerWaalsContact C-CE1 3.44Å; G117-F158 VanDerWaalsContact C-CZ 3.42Å; G117-F158 VanDerWaalsContact CA-CE1 3.5Å; G117-F158 WeakPolarHBondContact O-CE1 3.24Å; G117-F158 WeakPolarHBondContact O-CZ 3.46Å; Q121-F158 HydrophobicContact CB-CE1 4.38Å; Q121-F158 HydrophobicContact CB-CZ 4.38Å; Q121-F158 HydrophobicContact CG-CE1 4.19Å; Q121-F158 HydrophobicContact CG-CZ 4.08Å; G154-F158 PolarHBondContact O-N 3.36Å; L155-F158 HydrophobicContact CD1-CD1 4.15Å; L155-F158 PolarHBondContact O-N 3.14Å; F158-L160 VanDerWaalsContact C-N 3.26Å; F158-L160 PolarHBondContact O-N 2.92Å; F158-K161 PolarHBondContact O-N 3Å; F158-M162 HydrophobicContact CD1-CE 4.3Å; F158-M162 HydrophobicContact CE1-CE 3.64Å; F158-M162 PolarHBondContact O-N 2.97Å |
| 159 | L | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -29 | 177.7 | -67.3 | 164.4 | 0 | 0 | 0 | 113.7 | V7 V9 I74 I124 L128 L155 T157 M162 L163 | V7-L159 HydrophobicContact CG1-CD1 4.03Å; V9-L159 HydrophobicContact CG1-CD1 4.48Å; V9-L159 HydrophobicContact CG2-CD1 3.56Å; I74-L159 HydrophobicContact CD1-CD1 3.74Å; I74-L159 HydrophobicContact CD1-CD2 4.26Å; I124-L159 HydrophobicContact CB-CD2 4.28Å; I124-L159 HydrophobicContact CD1-CD2 4.21Å; I124-L159 HydrophobicContact CG2-CD2 3.19Å; L128-L159 HydrophobicContact CD1-CD2 4.29Å; L155-L159 VanDerWaalsContact O-CG 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.4Å; L155-L159 PolarHBondContact O-N 3.35Å; L155-L159 VanDerWaalsContact O-N 3.14Å; T157-L159 PolarHBondContact O-N 2.94Å; L159-M162 HydrophobicContact CD2-SD 4.25Å; L159-M162 PolarHBondContact O-N 3.42Å; L159-L163 VanDerWaalsContact O-CB 3.3Å; L159-L163 WeakPolarHBondContact O-CB 3.19Å; L159-L163 WeakPolarHBondContact O-CG 3.5Å; L159-L163 PolarHBondContact O-N 3.41Å |
| 160 | L | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.2 | -45.8 | -178.8 | -59.5 | 173.4 | 0 | 0 | 0 | 110.6 | I143 T157 F158 L163 E164 V174 L199 H202 A203 | I143-L160 HydrophobicContact CB-CD2 4.45Å; I143-L160 HydrophobicContact CD1-CD2 3.64Å; I143-L160 HydrophobicContact CG1-CD2 3.93Å; T157-L160 HydrophobicContact CG2-CD1 4.26Å; T157-L160 WeakPolarHBondContact O-CB 3.24Å; T157-L160 PolarHBondContact O-N 3.05Å; F158-L160 VanDerWaalsContact C-N 3.26Å; F158-L160 PolarHBondContact O-N 2.92Å; L160-L163 PolarHBondContact O-N 2.74Å; L160-E164 PolarHBondContact O-N 2.95Å; L160-V174 HydrophobicContact CD1-CG2 4.21Å; L160-V174 HydrophobicContact CD2-CG2 3.56Å; L160-L199 HydrophobicContact CD1-CD2 3.47Å; L160-L199 VanDerWaalsContact CD1-CD2 3.47Å; L160-L199 HydrophobicContact CD1-CG 4.33Å; L160-H202 HydrophobicContact CB-CB 3.65Å; L160-A203 HydrophobicContact CD1-CB 4.48Å |
| 161 | K | 96 | Very high | 96.4 | Very high | 96 Ų | 96 | 37 Ų | 37 | 42% | 0.417 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.9 | -48.2 | 174.8 | -177.2 | 176.1 | 179.6 | 175.8 | 0 | 111.7 | F158 L163 E164 D165 | F158-K161 PolarHBondContact O-N 3Å; K161-L163 VanDerWaalsContact C-N 3.3Å; K161-L163 PolarHBondContact O-N 3.28Å; K161-E164 PolarHBondContact O-N 3.14Å; K161-D165 PolarHBondContact O-N 3.17Å |
| 162 | M | 96.6 | Very high | 96.5 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.1 | -42.8 | 177.2 | 179.9 | -164.5 | -73.3 | 0 | 0 | 112 | Q121 I124 L125 L128 F158 L159 D165 E166 | Q121-M162 HydrophobicContact CB-CE 4.22Å; Q121-M162 HydrophobicContact CG-CE 3.56Å; Q121-M162 WeakPolarHBondContact O-CE 3.47Å; I124-M162 HydrophobicContact CB-CE 4.22Å; I124-M162 HydrophobicContact CB-SD 4.37Å; I124-M162 HydrophobicContact CG2-CE 4.42Å; I124-M162 HydrophobicContact CG2-SD 4.08Å; L125-M162 HydrophobicContact CB-SD 3.97Å; L125-M162 HydrophobicContact CD1-CG 4.37Å; L125-M162 HydrophobicContact CD1-SD 4.4Å; L128-M162 HydrophobicContact CD1-SD 3.96Å; F158-M162 HydrophobicContact CD1-CE 4.3Å; F158-M162 HydrophobicContact CE1-CE 3.64Å; F158-M162 PolarHBondContact O-N 2.97Å; L159-M162 HydrophobicContact CD2-SD 4.25Å; L159-M162 PolarHBondContact O-N 3.42Å; M162-D165 PolarHBondContact O-N 3.28Å; M162-E166 WeakPolarHBondContact O-CB 3.32Å; M162-E166 WeakPolarHBondContact O-CG 3.4Å; M162-E166 PolarHBondContact O-N 3Å; M162-E166 VanDerWaalsContact O-N 3.13Å |
| 163 | L | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69 | -35.6 | 178.7 | -74.5 | 172.8 | 0 | 0 | 0 | 112.2 | L128 F141 I143 L159 L160 K161 F167 R172 | L128-L163 HydrophobicContact CD1-CD2 3.85Å; L128-L163 HydrophobicContact CD1-CG 4.39Å; L128-L163 HydrophobicContact CD2-CD2 4.37Å; F141-L163 HydrophobicContact CB-CD1 3.97Å; F141-L163 HydrophobicContact CD1-CD1 4.41Å; F141-L163 HydrophobicContact CD1-CD2 4.03Å; F141-L163 HydrophobicContact CD2-CD1 4.29Å; F141-L163 HydrophobicContact CD2-CD2 3.81Å; F141-L163 HydrophobicContact CE1-CD2 3.93Å; F141-L163 HydrophobicContact CE2-CD2 3.7Å; F141-L163 HydrophobicContact CG-CD1 3.98Å; F141-L163 HydrophobicContact CG-CD2 3.97Å; F141-L163 HydrophobicContact CZ-CD2 3.76Å; I143-L163 HydrophobicContact CD1-CD1 4.03Å; I143-L163 HydrophobicContact CG1-CD1 4.28Å; L159-L163 VanDerWaalsContact O-CB 3.3Å; L159-L163 WeakPolarHBondContact O-CB 3.19Å; L159-L163 WeakPolarHBondContact O-CG 3.5Å; L159-L163 PolarHBondContact O-N 3.41Å; L160-L163 PolarHBondContact O-N 2.74Å; K161-L163 VanDerWaalsContact C-N 3.3Å; K161-L163 PolarHBondContact O-N 3.28Å; L163-F167 HydrophobicContact CD2-CD2 3.83Å; L163-F167 HydrophobicContact CD2-CE2 4.22Å; L163-F167 CarbonylContact O-C 3.55Å; L163-F167 VanDerWaalsContact O-CA 3.29Å; L163-F167 WeakPolarHBondContact O-CA 3.35Å; L163-F167 WeakPolarHBondContact O-CB 3.15Å; L163-F167 PolarHBondContact O-N 3.23Å; L163-R172 HydrophobicContact CB-CG 4.12Å; L163-R172 HydrophobicContact CD1-CG 4.38Å |
| 164 | E | 96.6 | Very high | 96.6 | Very high | 68 Ų | 68 | 37 Ų | 37 | 32% | 0.318 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.8 | -44.9 | 173.7 | -176.3 | -177.4 | -157.3 | 0 | 0 | 111.5 | L160 K161 E166 P168 H202 | L160-E164 PolarHBondContact O-N 2.95Å; K161-E164 PolarHBondContact O-N 3.14Å; E164-E166 VanDerWaalsContact C-N 3.33Å; E164-E166 PolarHBondContact O-N 3.24Å; E164-P168 VanDerWaalsContact O-CA 3.27Å; E164-P168 WeakPolarHBondContact O-CA 3.32Å; E164-P168 WeakPolarHBondContact O-CB 3.15Å; E164-P168 WeakPolarHBondContact O-CD 3.42Å; E164-H202 IonicContact OE2-CE1 3.15Å; E164-H202 PolarHBondContact OE2-CE1 3.42Å; E164-H202 IonicContact OE2-CG 2.7Å; E164-H202 IonicContact OE2-ND1 2.82Å; E164-H202 PolarHBondContact OE2-ND1 3.19Å |
| 165 | D | 96.3 | Very high | 96.7 | Very high | 111 Ų | 111 | 37 Ų | 37 | 59% | 0.594 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -63.5 | -38.3 | 180 | -71.3 | -27.1 | 0 | 0 | 0 | 112 | K161 M162 | K161-D165 PolarHBondContact O-N 3.17Å; M162-D165 PolarHBondContact O-N 3.28Å |
| 166 | E | 96.9 | Very high | 96.7 | Very high | 76 Ų | 76 | 37 Ų | 37 | 36% | 0.355 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -98.2 | -30.2 | -171.3 | -70.9 | -80 | 163.7 | 0 | 0 | 114 | L125 R129 M162 E164 P168 | L125-E166 HydrophobicContact CD1-CB 4.03Å; L125-E166 HydrophobicContact CD1-CG 3.54Å; L125-E166 HydrophobicContact CD2-CG 4.18Å; R129-E166 IonicContact CZ-OE2 3.07Å; R129-E166 IonicContact NE-OE2 2.63Å; R129-E166 PolarHBondContact NE-OE2 2.83Å; R129-E166 IonicContact NH2-OE1 2.73Å; R129-E166 PolarHBondContact NH2-OE1 2.9Å; R129-E166 IonicContact NH2-OE2 3.65Å; R129-E166 PolarHBondContact NH2-OE2 2.88Å; M162-E166 WeakPolarHBondContact O-CB 3.32Å; M162-E166 WeakPolarHBondContact O-CG 3.4Å; M162-E166 PolarHBondContact O-N 3Å; M162-E166 VanDerWaalsContact O-N 3.13Å; E164-E166 VanDerWaalsContact C-N 3.33Å; E164-E166 PolarHBondContact O-N 3.24Å; E166-P168 VanDerWaalsContact C-CD 3.45Å |
| 167 | F | 96.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 16% | 0.158 | 18% | 0.182 | C | C | . | . | trans | -131.6 | 59.2 | -179.6 | -54.4 | -83.5 | 0 | 0 | 0 | 111.2 | R129 A132 F141 L163 E169 V170 | R129-F167 HydrophobicContact CG-CZ 3.94Å; A132-F167 HydrophobicContact CB-CE1 3.84Å; A132-F167 HydrophobicContact CB-CZ 4.02Å; F141-F167 HydrophobicContact CE2-CB 3.92Å; F141-F167 HydrophobicContact CE2-CD1 4.38Å; F141-F167 AromaticContact CE2-CD2 3.81Å; F141-F167 HydrophobicContact CE2-CD2 3.81Å; F141-F167 HydrophobicContact CE2-CE2 4.43Å; F141-F167 AromaticContact CE2-CG 3.79Å; F141-F167 HydrophobicContact CE2-CG 3.79Å; F141-F167 HydrophobicContact CZ-CD1 4.45Å; F141-F167 AromaticContact CZ-CD2 3.86Å; F141-F167 HydrophobicContact CZ-CD2 3.86Å; F141-F167 HydrophobicContact CZ-CE2 4.01Å; F141-F167 HydrophobicContact CZ-CG 4.09Å; F141-F167 HydrophobicContact CZ-CZ 4.36Å; L163-F167 HydrophobicContact CD2-CD2 3.83Å; L163-F167 HydrophobicContact CD2-CE2 4.22Å; L163-F167 CarbonylContact O-C 3.55Å; L163-F167 VanDerWaalsContact O-CA 3.29Å; L163-F167 WeakPolarHBondContact O-CA 3.35Å; L163-F167 WeakPolarHBondContact O-CB 3.15Å; L163-F167 PolarHBondContact O-N 3.23Å; F167-E169 PolarHBondContact O-N 3.32Å; F167-E169 VanDerWaalsContact O-N 3.11Å; F167-V170 HydrophobicContact CB-CB 3.96Å; F167-V170 HydrophobicContact CB-CG2 3.96Å; F167-V170 PolarHBondContact O-N 2.91Å | ||
| 168 | P | 95.5 | Very high | 96.6 | Very high | 92 Ų | 92 | 37.4 Ų | 37.4 | 60% | 0.597 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.5 | -171.2 | 23.2 | -34.8 | 0 | 0 | 0 | 114.1 | E164 E166 | E164-P168 VanDerWaalsContact O-CA 3.27Å; E164-P168 WeakPolarHBondContact O-CA 3.32Å; E164-P168 WeakPolarHBondContact O-CB 3.15Å; E164-P168 WeakPolarHBondContact O-CD 3.42Å; E166-P168 VanDerWaalsContact C-CD 3.45Å |
| 169 | E | 93.3 | Very high | 96.3 | Very high | 181 Ų | 181 | 36.6 Ų | 36.6 | 85% | 0.846 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -8 | 179.7 | -60 | -174.6 | 171.7 | 0 | 0 | 113.4 | F167 | F167-E169 PolarHBondContact O-N 3.32Å; F167-E169 VanDerWaalsContact O-N 3.11Å |
| 170 | V | 95.5 | Very high | 95.7 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 13% | 0.127 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -99.9 | 124.6 | -174.3 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | L138 F141 F167 R172 | L138-V170 HydrophobicContact CD2-CG1 3.96Å; L138-V170 HydrophobicContact CD2-CG2 4.12Å; L138-V170 HydrophobicContact CG-CG1 3.89Å; L138-V170 HydrophobicContact CG-CG2 4.42Å; F141-V170 HydrophobicContact CD2-CB 4.29Å; F141-V170 HydrophobicContact CD2-CG1 3.58Å; F141-V170 HydrophobicContact CE2-CB 4.14Å; F141-V170 HydrophobicContact CE2-CG1 3.68Å; F167-V170 HydrophobicContact CB-CB 3.96Å; F167-V170 HydrophobicContact CB-CG2 3.96Å; F167-V170 PolarHBondContact O-N 2.91Å; V170-R172 PolarHBondContact O-NH1 3.2Å |
| 171 | Y | 95.1 | Very high | 94.6 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 18% | 0.18 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 141.5 | -174.8 | -77.4 | -93 | 0 | 0 | 0 | 113.5 | C140 F141 F173 D204 N284 M288 | C140-Y171 CarbonylContact C-O 3.38Å; C140-Y171 WeakPolarHBondContact CA-O 3.45Å; C140-Y171 VanDerWaalsContact CB-O 3.23Å; C140-Y171 WeakPolarHBondContact CB-O 3.2Å; F141-Y171 PolarHBondContact N-O 2.87Å; Y171-F173 HydrophobicContact CG-CE2 4.33Å; Y171-D204 WeakPolarHBondContact CA-OD2 3.35Å; Y171-D204 HydrophobicContact CD1-CB 3.66Å; Y171-D204 WeakPolarHBondContact CD1-OD2 3.21Å; Y171-D204 HydrophobicContact CE1-CB 4.21Å; Y171-N284 HydrophobicContact CD2-CB 4.02Å; Y171-N284 VanDerWaalsContact CD2-OD1 3.26Å; Y171-N284 WeakPolarHBondContact CD2-OD1 3.3Å; Y171-N284 HydrophobicContact CE2-CB 3.75Å; Y171-M288 HydrophobicContact CE2-CE 4.31Å; Y171-M288 WeakPolarHBondContact OH-CE 3.36Å |
| 172 | R | 97.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 4% | 0.038 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 95.6 | 179.4 | -67.7 | 156.1 | -51.1 | -37.1 | -9.4 | 109.2 | I143 L163 V170 H202 D204 | I143-R172 HydrophobicContact CD1-CB 4.17Å; L163-R172 HydrophobicContact CB-CG 4.12Å; L163-R172 HydrophobicContact CD1-CG 4.38Å; V170-R172 PolarHBondContact O-NH1 3.2Å; R172-H202 PolarHBondContact NE-O 3.12Å; R172-H202 PolarHBondContact NH2-O 3.44Å; R172-D204 IonicContact CZ-OD1 2.86Å; R172-D204 IonicContact CZ-OD2 2.81Å; R172-D204 PolarHBondContact N-OD2 3.31Å; R172-D204 IonicContact NH1-OD1 2.64Å; R172-D204 IonicContact NH1-OD2 3.49Å; R172-D204 PolarHBondContact NH1-OD2 3.12Å; R172-D204 IonicContact NH2-OD1 2.83Å; R172-D204 PolarHBondContact NH2-OD1 3.4Å; R172-D204 IonicContact NH2-OD2 3.51Å; R172-D204 PolarHBondContact NH2-OD2 3.21Å; R172-D204 VanDerWaalsContact NH2-OD2 3.07Å; R172-D204 PolarHBondContact O-N 3.23Å |
| 173 | F | 97.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.5 | 175.5 | -78.3 | -94.7 | 0 | 0 | 0 | 109.8 | C140 F141 F142 I143 Y171 C205 L283 I286 | C140-F173 HydrophobicContact CB-CD2 3.87Å; C140-F173 HydrophobicContact CB-CE2 4.23Å; F141-F173 PolarHBondContact O-N 3Å; F142-F173 CarbonylContact C-O 3.54Å; F142-F173 WeakPolarHBondContact CA-O 3.48Å; F142-F173 HydrophobicContact CD1-CB 3.55Å; F142-F173 HydrophobicContact CD1-CG 4.38Å; F142-F173 HydrophobicContact CE1-CB 3.64Å; F142-F173 HydrophobicContact CE1-CD1 4.5Å; F142-F173 AromaticContact CE1-CG 3.99Å; F142-F173 HydrophobicContact CE1-CG 3.99Å; I143-F173 PolarHBondContact N-O 3.3Å; Y171-F173 HydrophobicContact CG-CE2 4.33Å; F173-C205 HydrophobicContact CD1-CB 3.62Å; F173-C205 HydrophobicContact CE1-CB 3.58Å; F173-C205 HydrophobicContact CG-CB 4.35Å; F173-C205 HydrophobicContact CZ-CB 4.3Å; F173-L283 HydrophobicContact CE2-CB 4.32Å; F173-L283 HydrophobicContact CZ-CB 4.41Å; F173-L283 VanDerWaalsContact CZ-O 3.24Å; F173-L283 WeakPolarHBondContact CZ-O 3.18Å; F173-I286 HydrophobicContact CE1-CB 4.26Å; F173-I286 HydrophobicContact CE1-CG2 4.23Å; F173-I286 HydrophobicContact CZ-CB 4.35Å |
| 174 | V | 98.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.9 | -176.9 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | I143 H145 L160 L199 A203 C205 V206 L207 | I143-V174 HydrophobicContact CB-CG1 4.44Å; I143-V174 HydrophobicContact CB-CG2 4.41Å; I143-V174 HydrophobicContact CD1-CG2 4.32Å; I143-V174 CarbonylContact O-C 3.48Å; I143-V174 WeakPolarHBondContact O-CA 3.34Å; H145-V174 VanDerWaalsContact NE2-CG1 3.31Å; H145-V174 WeakPolarHBondContact NE2-CG1 3.32Å; L160-V174 HydrophobicContact CD1-CG2 4.21Å; L160-V174 HydrophobicContact CD2-CG2 3.56Å; V174-L199 HydrophobicContact CB-CD2 4.07Å; V174-L199 HydrophobicContact CG1-CD2 3.72Å; V174-L199 HydrophobicContact CG2-CD2 4Å; V174-A203 HydrophobicContact CG2-CB 3.81Å; V174-C205 PolarHBondContact N-O 3.2Å; V174-V206 HydrophobicContact CB-CG2 4.25Å; V174-V206 CarbonylContact O-C 3.52Å; V174-V206 WeakPolarHBondContact O-CA 3.36Å; V174-L207 PolarHBondContact O-N 3.12Å |
| 175 | T | 98.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 102.9 | 166.4 | -58.8 | 0 | 0 | 0 | 0 | 108.6 | I143 H145 I177 I209 V262 L266 | I143-T175 PolarHBondContact O-N 3.25Å; H145-T175 PolarHBondContact N-O 3.43Å; T175-I177 HydrophobicContact CG2-CD1 4.31Å; T175-I209 HydrophobicContact CG2-CD1 3.52Å; T175-I209 HydrophobicContact CG2-CG1 4.44Å; T175-V262 HydrophobicContact CG2-CG1 3.8Å; T175-L266 WeakPolarHBondContact OG1-CD2 3.34Å |
| 176 | S | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.4 | -172.6 | 60.2 | 0 | 0 | 0 | 0 | 110.8 | Y178 V206 L207 I209 | S176-Y178 WeakPolarHBondContact OG-CE2 3.12Å; S176-V206 WeakPolarHBondContact OG-CG1 3.2Å; S176-L207 PolarHBondContact N-O 3.3Å; S176-I209 PolarHBondContact O-N 2.95Å |
| 177 | I | 96.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 111.2 | -179.4 | -65.3 | 78.8 | 0 | 0 | 0 | 109.4 | I16 I144 H145 M147 T175 I209 N211 | I16-I177 HydrophobicContact CD1-CD1 3.39Å; I16-I177 HydrophobicContact CD1-CG1 3.68Å; I144-I177 HydrophobicContact CG2-CD1 4.43Å; H145-I177 VanDerWaalsContact O-CD1 3.25Å; H145-I177 WeakPolarHBondContact O-CD1 3.46Å; H145-I177 PolarHBondContact O-N 2.84Å; M147-I177 PolarHBondContact N-O 2.91Å; T175-I177 HydrophobicContact CG2-CD1 4.31Å; I177-I209 CarbonylContact C-O 3.56Å; I177-I209 WeakPolarHBondContact CA-O 3.35Å; I177-N211 WeakPolarHBondContact CG2-OD1 3.09Å |
| 178 | Y | 95.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 137.7 | 179.6 | -78.3 | -106.9 | 0 | 0 | 0 | 111.2 | M147 S176 P208 I209 N211 L412 | M147-Y178 HydrophobicContact CG-CD2 4.21Å; M147-Y178 HydrophobicContact CG-CE2 4.19Å; M147-Y178 HydrophobicContact CG-CG 4.42Å; S176-Y178 WeakPolarHBondContact OG-CE2 3.12Å; Y178-P208 HydrophobicContact CD2-CB 4.04Å; Y178-P208 HydrophobicContact CE2-CB 3.54Å; Y178-I209 PolarHBondContact N-O 2.88Å; Y178-N211 PolarHBondContact O-N 3.15Å; Y178-L412 HydrophobicContact CE1-CD2 4.17Å |
| 179 | P | 91.4 | Very high | 90.6 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 143.6 | 179.4 | 30.1 | -35.9 | 0 | 0 | 0 | 111.7 | D183 S192 R415 | P179-D183 WeakPolarHBondContact CA-OD2 3.44Å; P179-D183 HydrophobicContact CB-CB 4.47Å; P179-D183 WeakPolarHBondContact CB-OD2 3.48Å; P179-S192 WeakPolarHBondContact CG-OG 3.29Å; P179-R415 PolarHBondContact O-NH1 3.46Å |
| 180 | S | 85.6 | Confident | 90.8 | Very high | 12 Ų | 12 | 33.4 Ų | 33.4 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -73.8 | 170.6 | 174.1 | 84.7 | 0 | 0 | 0 | 0 | 111.2 | E182 D183 R415 | S180-E182 PolarHBondContact O-N 2.98Å; S180-E182 PolarHBondContact OG-N 3.15Å; S180-E182 VanDerWaalsContact OG-N 3.15Å; S180-D183 VanDerWaalsContact CB-OD1 3.3Å; S180-D183 WeakPolarHBondContact CB-OD1 3.48Å; S180-D183 PolarHBondContact N-OD1 3.06Å; S180-D183 PolarHBondContact N-OD2 2.95Å; S180-D183 PolarHBondContact OG-N 3.45Å; S180-D183 PolarHBondContact OG-OD1 3.12Å; S180-R415 PolarHBondContact O-NH1 3.43Å; S180-R415 PolarHBondContact O-NH2 3.08Å |
| 181 | G | 73.7 | Confident | 90.8 | Very high | 47 Ų | 47 | 32.4 Ų | 32.4 | 49% | 0.485 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 182 | E | 71.6 | Confident | 90.9 | Very high | 165 Ų | 165 | 30.2 Ų | 30.2 | 77% | 0.771 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 8 | -174.2 | -58.7 | -173.7 | 171.7 | 0 | 0 | 112.7 | S180 | S180-E182 PolarHBondContact O-N 2.98Å; S180-E182 PolarHBondContact OG-N 3.15Å; S180-E182 VanDerWaalsContact OG-N 3.15Å |
| 183 | D | 74.6 | Confident | 91 | Very high | 52 Ų | 52 | 29.7 Ų | 29.7 | 28% | 0.278 | 17% | 0.167 | S | C | . | . | trans | -64.1 | 141.4 | -179.3 | -78.1 | 8.5 | 0 | 0 | 0 | 112.4 | P179 S180 V185 | P179-D183 WeakPolarHBondContact CA-OD2 3.44Å; P179-D183 HydrophobicContact CB-CB 4.47Å; P179-D183 WeakPolarHBondContact CB-OD2 3.48Å; S180-D183 VanDerWaalsContact CB-OD1 3.3Å; S180-D183 WeakPolarHBondContact CB-OD1 3.48Å; S180-D183 PolarHBondContact N-OD1 3.06Å; S180-D183 PolarHBondContact N-OD2 2.95Å; S180-D183 PolarHBondContact OG-N 3.45Å; S180-D183 PolarHBondContact OG-OD1 3.12Å; D183-V185 PolarHBondContact O-N 2.89Å; D183-V185 VanDerWaalsContact O-N 3.11Å | ||
| 184 | D | 78 | Confident | 91 | Very high | 164 Ų | 164 | 29.9 Ų | 29.9 | 88% | 0.877 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -61.8 | -21 | 179.8 | -65.8 | -39.6 | 0 | 0 | 0 | 113.6 | I186 | D184-I186 PolarHBondContact O-N 3.43Š|
| 185 | V | 88.3 | Confident | 91 | Very high | 31 Ų | 31 | 29.9 Ų | 29.9 | 19% | 0.188 | 17% | 0.167 | C | C | . | . | trans | -87 | 97.9 | -177.7 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | N107 D183 T187 S188 | N107-V185 HydrophobicContact CB-CG1 3.68Å; N107-V185 HydrophobicContact CB-CG2 4.39Å; D183-V185 PolarHBondContact O-N 2.89Å; D183-V185 VanDerWaalsContact O-N 3.11Å; V185-T187 PolarHBondContact O-N 2.83Å; V185-S188 WeakPolarHBondContact O-CB 3.33Å; V185-S188 PolarHBondContact O-N 3.06Å; V185-S188 VanDerWaalsContact O-N 3.08Å; V185-S188 PolarHBondContact O-OG 2.82Å | ||
| 186 | I | 90.8 | Very high | 90.9 | Very high | 109 Ų | 109 | 29.9 Ų | 29.9 | 56% | 0.559 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -36.3 | 179.4 | -58.7 | 171.2 | 0 | 0 | 0 | 112 | D184 S188 P189 L419 | D184-I186 PolarHBondContact O-N 3.43Å; I186-S188 VanDerWaalsContact C-N 3.28Å; I186-S188 PolarHBondContact O-N 2.8Å; I186-P189 VanDerWaalsContact O-CD 3.29Å; I186-P189 WeakPolarHBondContact O-CD 3.37Å; I186-L419 HydrophobicContact CG2-CD2 4.38Å; I186-L419 WeakPolarHBondContact O-CD1 3.41Å |
| 187 | T | 93.6 | Very high | 91 | Very high | 19 Ų | 19 | 31.6 Ų | 31.6 | 12% | 0.117 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 0.8 | -178.2 | 54 | 0 | 0 | 0 | 0 | 114 | N107 V185 P189 Y190 N191 H425 Y429 | N107-T187 PolarHBondContact O-OG1 2.71Å; V185-T187 PolarHBondContact O-N 2.83Å; T187-P189 VanDerWaalsContact C-N 3.28Å; T187-P189 VanDerWaalsContact O-N 3.15Å; T187-Y190 HydrophobicContact CG2-CD2 4.48Å; T187-Y190 WeakPolarHBondContact O-CB 3.3Å; T187-Y190 PolarHBondContact O-N 2.98Å; T187-N191 PolarHBondContact O-N 3.39Å; T187-H425 HydrophobicContact CG2-CB 3.66Å; T187-Y429 WeakPolarHBondContact CB-OH 3.28Å; T187-Y429 HydrophobicContact CG2-CE2 4.29Å |
| 188 | S | 95.2 | Very high | 91 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.2 | -32.6 | -178.8 | 58.9 | 0 | 0 | 0 | 0 | 114.8 | V185 I186 Y190 N191 S192 | V185-S188 WeakPolarHBondContact O-CB 3.33Å; V185-S188 PolarHBondContact O-N 3.06Å; V185-S188 VanDerWaalsContact O-N 3.08Å; V185-S188 PolarHBondContact O-OG 2.82Å; I186-S188 VanDerWaalsContact C-N 3.28Å; I186-S188 PolarHBondContact O-N 2.8Å; S188-Y190 PolarHBondContact O-N 2.86Å; S188-N191 PolarHBondContact O-N 3.29Å; S188-S192 WeakPolarHBondContact O-CB 3.09Å; S188-S192 PolarHBondContact O-N 2.91Å; S188-S192 PolarHBondContact O-OG 3.08Å |
| 189 | P | 95.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.032 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67 | -34.1 | 174.9 | -21.7 | 36 | 0 | 0 | 0 | 113.3 | I186 T187 I193 L412 R415 F416 L419 | I186-P189 VanDerWaalsContact O-CD 3.29Å; I186-P189 WeakPolarHBondContact O-CD 3.37Å; T187-P189 VanDerWaalsContact C-N 3.28Å; T187-P189 VanDerWaalsContact O-N 3.15Å; P189-I193 WeakPolarHBondContact O-CG1 3.47Å; P189-I193 PolarHBondContact O-N 2.88Å; P189-I193 VanDerWaalsContact O-N 3.14Å; P189-L412 HydrophobicContact CB-CD1 4.41Å; P189-R415 HydrophobicContact CB-CB 4.06Å; P189-R415 HydrophobicContact CG-CB 3.88Å; P189-F416 HydrophobicContact CB-CB 4.14Å; P189-L419 HydrophobicContact CB-CD1 4.21Å; P189-L419 HydrophobicContact CG-CD1 3.86Å |
| 190 | Y | 96.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.2 | -50.3 | 173.6 | -70.3 | -50.3 | 0 | 0 | 0 | 110.8 | T187 S188 S192 I193 L194 F416 L419 Y420 A424 Y429 F440 | T187-Y190 HydrophobicContact CG2-CD2 4.48Å; T187-Y190 WeakPolarHBondContact O-CB 3.3Å; T187-Y190 PolarHBondContact O-N 2.98Å; S188-Y190 PolarHBondContact O-N 2.86Å; Y190-S192 VanDerWaalsContact C-N 3.28Å; Y190-S192 PolarHBondContact O-N 3.25Å; Y190-I193 PolarHBondContact O-N 2.82Å; Y190-L194 WeakPolarHBondContact O-CB 3.35Å; Y190-L194 WeakPolarHBondContact O-CG 3.45Å; Y190-L194 PolarHBondContact O-N 3.19Å; Y190-F416 AromaticContact CD1-CD2 3.53Å; Y190-F416 HydrophobicContact CD1-CD2 3.53Å; Y190-F416 AromaticContact CD1-CE2 3.36Å; Y190-F416 HydrophobicContact CD1-CE2 3.36Å; Y190-F416 HydrophobicContact CD1-CG 4.43Å; Y190-F416 HydrophobicContact CD1-CZ 4.06Å; Y190-F416 HydrophobicContact CE1-CD2 4.05Å; Y190-F416 AromaticContact CE1-CE2 3.86Å; Y190-F416 HydrophobicContact CE1-CE2 3.86Å; Y190-F416 HydrophobicContact CE1-CZ 4.12Å; Y190-F416 HydrophobicContact CG-CD2 4.5Å; Y190-L419 HydrophobicContact CD2-CD1 4.44Å; Y190-L419 HydrophobicContact CE1-CB 4.31Å; Y190-L419 HydrophobicContact CE2-CB 3.98Å; Y190-L419 HydrophobicContact CE2-CD1 4.24Å; Y190-L419 PolarHBondContact OH-O 2.88Å; Y190-Y420 AromaticContact CE1-CD2 3.99Å; Y190-Y420 HydrophobicContact CE1-CD2 3.99Å; Y190-Y420 VanDerWaalsContact OH-CA 3.3Å; Y190-Y420 WeakPolarHBondContact OH-CA 3.41Å; Y190-Y420 PolarHBondContact OH-N 2.77Å; Y190-A424 WeakPolarHBondContact CE2-O 3.38Å; Y190-A424 PolarHBondContact OH-O 3.46Å; Y190-Y429 AromaticContact CD2-CE2 3.88Å; Y190-Y429 HydrophobicContact CD2-CE2 3.88Å; Y190-Y429 HydrophobicContact CG-CE2 4.34Å; Y190-F440 AromaticContact CD1-CD1 3.95Å; Y190-F440 HydrophobicContact CD1-CD1 3.95Å; Y190-F440 AromaticContact CD1-CE1 3.69Å; Y190-F440 HydrophobicContact CD1-CE1 3.69Å; Y190-F440 HydrophobicContact CE1-CD1 4.33Å; Y190-F440 HydrophobicContact CE1-CE1 4.25Å; Y190-F440 HydrophobicContact CG-CE1 4.1Å |
| 191 | N | 97.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57 | -45.1 | 179.4 | -65.8 | -20.1 | 0 | 0 | 0 | 111.6 | N107 W109 M147 G148 G149 T187 S188 A195 Y429 | N107-N191 PolarHBondContact O-ND2 3.13Å; W109-N191 HydrophobicContact CB-CB 4.02Å; W109-N191 WeakPolarHBondContact CB-OD1 3.46Å; W109-N191 PolarHBondContact N-OD1 3.14Å; M147-N191 CarbonylContact O-C 3.52Å; M147-N191 WeakPolarHBondContact O-CB 3.36Å; G148-N191 PolarHBondContact O-ND2 3.33Å; G149-N191 PolarHBondContact O-ND2 3.18Å; T187-N191 PolarHBondContact O-N 3.39Å; S188-N191 PolarHBondContact O-N 3.29Å; N191-A195 WeakPolarHBondContact O-CB 3.41Å; N191-A195 PolarHBondContact O-N 2.87Å; N191-Y429 WeakPolarHBondContact OD1-CE1 3.36Å; N191-Y429 PolarHBondContact OD1-OH 3.33Å |
| 192 | S | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.7 | -41.9 | -177 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | M147 P179 S188 Y190 M196 | M147-S192 VanDerWaalsContact CE-O 3.24Å; M147-S192 WeakPolarHBondContact CE-O 3.32Å; M147-S192 WeakPolarHBondContact O-CA 3.31Å; M147-S192 PolarHBondContact O-N 2.62Å; M147-S192 PolarHBondContact O-OG 3.15Å; M147-S192 VanDerWaalsContact O-OG 3.12Å; P179-S192 WeakPolarHBondContact CG-OG 3.29Å; S188-S192 WeakPolarHBondContact O-CB 3.09Å; S188-S192 PolarHBondContact O-N 2.91Å; S188-S192 PolarHBondContact O-OG 3.08Å; Y190-S192 VanDerWaalsContact C-N 3.28Å; Y190-S192 PolarHBondContact O-N 3.25Å; S192-M196 WeakPolarHBondContact O-CB 3.41Å; S192-M196 PolarHBondContact O-N 2.83Å |
| 193 | I | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.4 | -40.5 | 179.6 | -70 | -164.5 | 0 | 0 | 0 | 111.8 | P189 Y190 M196 K197 L412 F416 A443 V444 L447 | P189-I193 WeakPolarHBondContact O-CG1 3.47Å; P189-I193 PolarHBondContact O-N 2.88Å; P189-I193 VanDerWaalsContact O-N 3.14Å; Y190-I193 PolarHBondContact O-N 2.82Å; I193-M196 PolarHBondContact O-N 2.84Å; I193-K197 PolarHBondContact O-N 2.88Å; I193-K197 VanDerWaalsContact O-N 3.13Å; I193-L412 HydrophobicContact CD1-CG 4.41Å; I193-L412 HydrophobicContact CG1-CD1 4.5Å; I193-L412 HydrophobicContact CG1-CD2 4.1Å; I193-L412 HydrophobicContact CG1-CG 3.91Å; I193-F416 HydrophobicContact CB-CD2 3.9Å; I193-F416 HydrophobicContact CB-CE2 4.18Å; I193-F416 HydrophobicContact CD1-CB 3.27Å; I193-F416 HydrophobicContact CD1-CD1 4.16Å; I193-F416 HydrophobicContact CD1-CD2 3.56Å; I193-F416 HydrophobicContact CD1-CE2 4.35Å; I193-F416 HydrophobicContact CD1-CG 3.43Å; I193-F416 VanDerWaalsContact CD1-CG 3.43Å; I193-F416 HydrophobicContact CG1-CB 4.2Å; I193-F416 HydrophobicContact CG1-CD2 4Å; I193-F416 HydrophobicContact CG1-CG 4.33Å; I193-F416 HydrophobicContact CG2-CD2 4.26Å; I193-F416 HydrophobicContact CG2-CE2 4.16Å; I193-A443 HydrophobicContact CG2-CB 3.73Å; I193-V444 HydrophobicContact CG2-CG2 4.15Å; I193-L447 HydrophobicContact CD1-CD2 3.73Å; I193-L447 HydrophobicContact CG1-CD2 3.98Å |
| 194 | L | 98.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 175.1 | -68.2 | 167.4 | 0 | 0 | 0 | 110.7 | W109 Y190 M196 K197 Y429 M435 F440 A443 | W109-L194 HydrophobicContact CB-CD1 4.38Å; W109-L194 HydrophobicContact CD2-CB 3.55Å; W109-L194 HydrophobicContact CD2-CD1 4.01Å; W109-L194 HydrophobicContact CD2-CG 4.38Å; W109-L194 HydrophobicContact CE3-CB 3.81Å; W109-L194 HydrophobicContact CE3-CD1 3.63Å; W109-L194 HydrophobicContact CE3-CG 4.21Å; W109-L194 HydrophobicContact CG-CB 3.95Å; W109-L194 HydrophobicContact CG-CD1 4.33Å; W109-L194 HydrophobicContact CH2-CB 4.3Å; W109-L194 HydrophobicContact CZ2-CB 4.05Å; W109-L194 HydrophobicContact CZ3-CB 4.18Å; W109-L194 HydrophobicContact CZ3-CD1 4.25Å; W109-L194 HydrophobicContact CZ3-CD2 4.46Å; Y190-L194 WeakPolarHBondContact O-CB 3.35Å; Y190-L194 WeakPolarHBondContact O-CG 3.45Å; Y190-L194 PolarHBondContact O-N 3.19Å; L194-M196 VanDerWaalsContact C-N 3.31Å; L194-M196 PolarHBondContact O-N 3.5Å; L194-K197 WeakPolarHBondContact O-CB 3.4Å; L194-K197 PolarHBondContact O-N 2.94Å; L194-Y429 HydrophobicContact CD1-CD1 4.16Å; L194-Y429 HydrophobicContact CD1-CE1 4.15Å; L194-M435 HydrophobicContact CD1-CE 4.14Å; L194-M435 HydrophobicContact CD2-CE 4.36Å; L194-F440 HydrophobicContact CD1-CD1 4.46Å; L194-F440 HydrophobicContact CD1-CE1 3.84Å; L194-F440 HydrophobicContact CD1-CZ 4.1Å; L194-F440 HydrophobicContact CD2-CD1 4.41Å; L194-F440 HydrophobicContact CG-CE1 4.43Å; L194-A443 HydrophobicContact CD2-CB 4.06Å |
| 195 | A | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.8 | -37.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M147 T157 N191 K197 E198 L199 | M147-A195 HydrophobicContact CE-CB 3.64Å; M147-A195 HydrophobicContact SD-CB 3.95Å; T157-A195 HydrophobicContact CG2-CB 3.67Å; T157-A195 WeakPolarHBondContact CG2-O 3.3Å; N191-A195 WeakPolarHBondContact O-CB 3.41Å; N191-A195 PolarHBondContact O-N 2.87Å; A195-K197 VanDerWaalsContact C-N 3.3Å; A195-K197 PolarHBondContact O-N 3.05Å; A195-E198 PolarHBondContact O-N 2.65Å; A195-L199 WeakPolarHBondContact O-CG 3.2Å; A195-L199 PolarHBondContact O-N 2.91Å |
| 196 | M | 97.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.2 | -31.4 | -179.1 | -166.5 | 169.1 | -178.3 | 0 | 0 | 112.7 | M147 S192 I193 L194 L199 N200 Y298 F409 L412 L447 L450 | M147-M196 HydrophobicContact CE-CB 4.05Å; S192-M196 WeakPolarHBondContact O-CB 3.41Å; S192-M196 PolarHBondContact O-N 2.83Å; I193-M196 PolarHBondContact O-N 2.84Å; L194-M196 VanDerWaalsContact C-N 3.31Å; L194-M196 PolarHBondContact O-N 3.5Å; M196-L199 PolarHBondContact O-N 2.99Å; M196-N200 WeakPolarHBondContact O-CB 3.23Å; M196-N200 VanDerWaalsContact O-CG 3.23Å; M196-N200 PolarHBondContact O-N 2.93Å; M196-N200 PolarHBondContact O-ND2 2.95Å; M196-Y298 HydrophobicContact CE-CE1 4.13Å; M196-Y298 HydrophobicContact CE-CE2 4.19Å; M196-Y298 WeakPolarHBondContact CG-OH 3.32Å; M196-F409 HydrophobicContact CE-CD1 3.52Å; M196-F409 HydrophobicContact CE-CD2 3.79Å; M196-F409 HydrophobicContact CE-CE1 3.34Å; M196-F409 HydrophobicContact CE-CE2 3.62Å; M196-F409 HydrophobicContact CE-CG 3.76Å; M196-F409 HydrophobicContact CE-CZ 3.4Å; M196-F409 HydrophobicContact SD-CD1 4.23Å; M196-F409 HydrophobicContact SD-CE1 4.36Å; M196-L412 HydrophobicContact SD-CD2 4.27Å; M196-L447 HydrophobicContact CE-CD1 3.52Å; M196-L447 HydrophobicContact SD-CD1 3.42Å; M196-L447 WeakPolarHBondContact SD-CD1 3.19Å; M196-L447 HydrophobicContact SD-CD2 4.42Å; M196-L447 HydrophobicContact SD-CG 4.46Å; M196-L450 HydrophobicContact CE-CD2 3.52Å |
| 197 | K | 97.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 13.1 Ų | 13.1 | 16% | 0.161 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -57.4 | -50.6 | 170.9 | -173.7 | -165.5 | 170.8 | -165.8 | 0 | 110.7 | I193 L194 A195 L199 N200 E201 E442 A443 | I193-K197 PolarHBondContact O-N 2.88Å; I193-K197 VanDerWaalsContact O-N 3.13Å; L194-K197 WeakPolarHBondContact O-CB 3.4Å; L194-K197 PolarHBondContact O-N 2.94Å; A195-K197 VanDerWaalsContact C-N 3.3Å; A195-K197 PolarHBondContact O-N 3.05Å; K197-L199 VanDerWaalsContact C-N 3.35Å; K197-L199 PolarHBondContact O-N 3.38Å; K197-N200 WeakPolarHBondContact O-CB 3.38Å; K197-N200 PolarHBondContact O-N 2.92Å; K197-E201 WeakPolarHBondContact CE-OE1 3.43Å; K197-E201 PolarHBondContact O-N 2.81Å; K197-E442 IonicContact NZ-OE2 2.6Å; K197-E442 PolarHBondContact NZ-OE2 3.33Å; K197-A443 HydrophobicContact CB-CB 3.98Å; K197-A443 HydrophobicContact CD-CB 4.22Å; K197-A443 HydrophobicContact CG-CB 4.48Å |
| 198 | E | 97.9 | Very high | 97.1 | Very high | 19 Ų | 19 | 12.2 Ų | 12.2 | 9% | 0.089 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.9 | -35.5 | -179.9 | -55.9 | -62.8 | 134.5 | 0 | 0 | 112.2 | W109 H113 T157 A195 E201 H202 | W109-E198 HydrophobicContact CZ2-CG 3.91Å; H113-E198 IonicContact CE1-OE2 2.69Å; T157-E198 HydrophobicContact CG2-CB 4.1Å; A195-E198 PolarHBondContact O-N 2.65Å; E198-E201 PolarHBondContact O-N 3.22Å; E198-H202 WeakPolarHBondContact O-CB 3.38Å; E198-H202 PolarHBondContact O-CD2 2.77Å; E198-H202 PolarHBondContact O-N 3.44Å; E198-H202 IonicContact OE2-CD2 3.61Å; E198-H202 IonicContact OE2-NE2 3.13Å |
| 199 | L | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 173.5 | -71.5 | 171.8 | 0 | 0 | 0 | 111.6 | M147 T157 L160 V174 A195 M196 K197 E201 A203 V206 H297 | M147-L199 HydrophobicContact CE-CD1 3.55Å; M147-L199 HydrophobicContact SD-CD1 3.61Å; T157-L199 HydrophobicContact CG2-CD2 4.47Å; T157-L199 HydrophobicContact CG2-CG 4.22Å; L160-L199 HydrophobicContact CD1-CD2 3.47Å; L160-L199 VanDerWaalsContact CD1-CD2 3.47Å; L160-L199 HydrophobicContact CD1-CG 4.33Å; V174-L199 HydrophobicContact CB-CD2 4.07Å; V174-L199 HydrophobicContact CG1-CD2 3.72Å; V174-L199 HydrophobicContact CG2-CD2 4Å; A195-L199 WeakPolarHBondContact O-CG 3.2Å; A195-L199 PolarHBondContact O-N 2.91Å; M196-L199 PolarHBondContact O-N 2.99Å; K197-L199 VanDerWaalsContact C-N 3.35Å; K197-L199 PolarHBondContact O-N 3.38Å; L199-E201 PolarHBondContact O-N 3.5Å; L199-A203 HydrophobicContact CD2-CB 4.38Å; L199-A203 VanDerWaalsContact O-CB 3.32Å; L199-A203 WeakPolarHBondContact O-CB 3.29Å; L199-A203 PolarHBondContact O-N 3.32Å; L199-A203 VanDerWaalsContact O-N 3.14Å; L199-V206 HydrophobicContact CB-CG2 4.31Å; L199-V206 HydrophobicContact CD2-CG2 4.07Å; L199-H297 PolarHBondContact O-CE1 3.29Å; L199-H297 PolarHBondContact O-NE2 3.35Å |
| 200 | N | 96.3 | Very high | 97 | Very high | 19 Ų | 19 | 12.2 Ų | 12.2 | 10% | 0.102 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -58.7 | -34 | 178.8 | -75.5 | -17.9 | 0 | 0 | 0 | 112.5 | M196 K197 Y298 S446 | M196-N200 WeakPolarHBondContact O-CB 3.23Å; M196-N200 VanDerWaalsContact O-CG 3.23Å; M196-N200 PolarHBondContact O-N 2.93Å; M196-N200 PolarHBondContact O-ND2 2.95Å; K197-N200 WeakPolarHBondContact O-CB 3.38Å; K197-N200 PolarHBondContact O-N 2.92Å; N200-Y298 VanDerWaalsContact OD1-CE2 3.29Å; N200-Y298 WeakPolarHBondContact OD1-CE2 3.25Å; N200-Y298 PolarHBondContact OD1-OH 3.28Å; N200-S446 PolarHBondContact ND2-OG 3.13Å; N200-S446 VanDerWaalsContact ND2-OG 3.12Å |
| 201 | E | 95.8 | Very high | 96.8 | Very high | 102 Ų | 102 | 13.8 Ų | 13.8 | 48% | 0.477 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -87.5 | -41.6 | -175 | -69.8 | 177.6 | -160 | 0 | 0 | 112.1 | K197 E198 L199 | K197-E201 WeakPolarHBondContact CE-OE1 3.43Å; K197-E201 PolarHBondContact O-N 2.81Å; E198-E201 PolarHBondContact O-N 3.22Å; L199-E201 PolarHBondContact O-N 3.5Å |
| 202 | H | 97.3 | Very high | 96.6 | Very high | 20 Ų | 20 | 15.4 Ų | 15.4 | 9% | 0.093 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -114.3 | -14.4 | -162.8 | -57.6 | -54.8 | 0 | 0 | 0 | 115.3 | L160 E164 R172 E198 | L160-H202 HydrophobicContact CB-CB 3.65Å; E164-H202 IonicContact OE2-CE1 3.15Å; E164-H202 PolarHBondContact OE2-CE1 3.42Å; E164-H202 IonicContact OE2-CG 2.7Å; E164-H202 IonicContact OE2-ND1 2.82Å; E164-H202 PolarHBondContact OE2-ND1 3.19Å; R172-H202 PolarHBondContact NE-O 3.12Å; R172-H202 PolarHBondContact NH2-O 3.44Å; E198-H202 WeakPolarHBondContact O-CB 3.38Å; E198-H202 PolarHBondContact O-CD2 2.77Å; E198-H202 PolarHBondContact O-N 3.44Å; E198-H202 IonicContact OE2-CD2 3.61Å; E198-H202 IonicContact OE2-NE2 3.13Å |
| 203 | A | 97.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 15.9 Ų | 15.9 | 7% | 0.066 | 8% | 0.079 | C | C | . | . | trans | -91.4 | 142.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L160 V174 L199 V206 H297 | L160-A203 HydrophobicContact CD1-CB 4.48Å; V174-A203 HydrophobicContact CG2-CB 3.81Å; L199-A203 HydrophobicContact CD2-CB 4.38Å; L199-A203 VanDerWaalsContact O-CB 3.32Å; L199-A203 WeakPolarHBondContact O-CB 3.29Å; L199-A203 PolarHBondContact O-N 3.32Å; L199-A203 VanDerWaalsContact O-N 3.14Å; A203-V206 HydrophobicContact CB-CG2 3.72Å; A203-H297 PolarHBondContact O-CE1 2.9Å | ||
| 204 | D | 96.3 | Very high | 96 | Very high | 39 Ų | 39 | 16 Ų | 16 | 21% | 0.209 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -87.3 | -24.5 | 173 | -54.8 | -59.7 | 0 | 0 | 0 | 113.2 | Y171 R172 S287 H297 | Y171-D204 WeakPolarHBondContact CA-OD2 3.35Å; Y171-D204 HydrophobicContact CD1-CB 3.66Å; Y171-D204 WeakPolarHBondContact CD1-OD2 3.21Å; Y171-D204 HydrophobicContact CE1-CB 4.21Å; R172-D204 IonicContact CZ-OD1 2.86Å; R172-D204 IonicContact CZ-OD2 2.81Å; R172-D204 PolarHBondContact N-OD2 3.31Å; R172-D204 IonicContact NH1-OD1 2.64Å; R172-D204 IonicContact NH1-OD2 3.49Å; R172-D204 PolarHBondContact NH1-OD2 3.12Å; R172-D204 IonicContact NH2-OD1 2.83Å; R172-D204 PolarHBondContact NH2-OD1 3.4Å; R172-D204 IonicContact NH2-OD2 3.51Å; R172-D204 PolarHBondContact NH2-OD2 3.21Å; R172-D204 VanDerWaalsContact NH2-OD2 3.07Å; R172-D204 PolarHBondContact O-N 3.23Å; D204-S287 PolarHBondContact O-OG 3.34Å; D204-H297 WeakPolarHBondContact O-CB 3.24Å |
| 205 | C | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 125.1 | -176.4 | 179 | 0 | 0 | 0 | 0 | 109.7 | F173 V174 L299 | F173-C205 HydrophobicContact CD1-CB 3.62Å; F173-C205 HydrophobicContact CE1-CB 3.58Å; F173-C205 HydrophobicContact CG-CB 4.35Å; F173-C205 HydrophobicContact CZ-CB 4.3Å; V174-C205 PolarHBondContact N-O 3.2Å; C205-L299 WeakPolarHBondContact SG-CD1 3.39Å |
| 206 | V | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.4 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | V174 S176 L199 A203 P208 H297 Y298 L299 | V174-V206 HydrophobicContact CB-CG2 4.25Å; V174-V206 CarbonylContact O-C 3.52Å; V174-V206 WeakPolarHBondContact O-CA 3.36Å; S176-V206 WeakPolarHBondContact OG-CG1 3.2Å; L199-V206 HydrophobicContact CB-CG2 4.31Å; L199-V206 HydrophobicContact CD2-CG2 4.07Å; A203-V206 HydrophobicContact CB-CG2 3.72Å; V206-P208 WeakPolarHBondContact O-CD 3.29Å; V206-H297 VanDerWaalsContact CG2-CD2 3.49Å; V206-H297 WeakPolarHBondContact CG2-CD2 3.47Å; V206-H297 PolarHBondContact N-O 3.18Å; V206-Y298 HydrophobicContact CB-CD1 3.7Å; V206-Y298 HydrophobicContact CB-CE1 3.78Å; V206-Y298 HydrophobicContact CB-CG 4.45Å; V206-Y298 HydrophobicContact CG1-CD1 3.68Å; V206-Y298 HydrophobicContact CG1-CE1 3.61Å; V206-Y298 HydrophobicContact CG2-CD1 4.49Å; V206-Y298 HydrophobicContact CG2-CE1 4.13Å; V206-Y298 WeakPolarHBondContact O-CA 3.38Å; V206-L299 PolarHBondContact O-N 3.42Å |
| 207 | L | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 88.3 | 172.9 | -55.8 | 179.5 | 0 | 0 | 0 | 107.9 | V174 S176 I209 L269 L299 L399 | V174-L207 PolarHBondContact O-N 3.12Å; S176-L207 PolarHBondContact N-O 3.3Å; L207-I209 PolarHBondContact O-N 3.33Å; L207-L269 HydrophobicContact CD1-CD2 3.77Å; L207-L299 HydrophobicContact CD2-CB 3.93Å; L207-L299 HydrophobicContact CD2-CD1 4.45Å; L207-L399 HydrophobicContact CD2-CD2 4.13Å |
| 208 | P | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 127.8 | 177.6 | 29.5 | -36.4 | 0 | 0 | 0 | 110.5 | Y178 V206 Y298 L299 L334 | Y178-P208 HydrophobicContact CD2-CB 4.04Å; Y178-P208 HydrophobicContact CE2-CB 3.54Å; V206-P208 WeakPolarHBondContact O-CD 3.29Å; P208-Y298 HydrophobicContact CG-CD1 4.44Å; P208-L299 WeakPolarHBondContact CD-O 3.33Å; P208-L334 HydrophobicContact CB-CD1 4.07Å; P208-L334 HydrophobicContact CB-CD2 4.32Å; P208-L334 HydrophobicContact CG-CD2 4.04Å |
| 209 | I | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135 | 175.6 | -58.8 | 177.7 | 0 | 0 | 0 | 108.1 | T175 S176 I177 Y178 L207 L214 V262 L265 L333 | T175-I209 HydrophobicContact CG2-CD1 3.52Å; T175-I209 HydrophobicContact CG2-CG1 4.44Å; S176-I209 PolarHBondContact O-N 2.95Å; I177-I209 CarbonylContact C-O 3.56Å; I177-I209 WeakPolarHBondContact CA-O 3.35Å; Y178-I209 PolarHBondContact N-O 2.88Å; L207-I209 PolarHBondContact O-N 3.33Å; I209-L214 HydrophobicContact CG2-CD1 3.65Å; I209-L214 HydrophobicContact CG2-CD2 4.08Å; I209-L214 HydrophobicContact CG2-CG 3.87Å; I209-V262 HydrophobicContact CD1-CB 4.19Å; I209-V262 HydrophobicContact CD1-CG1 3.51Å; I209-V262 HydrophobicContact CD1-CG2 3.83Å; I209-V262 HydrophobicContact CG2-CG2 4.11Å; I209-L265 HydrophobicContact CD1-CD2 3.56Å; I209-L265 HydrophobicContact CG1-CD2 4.28Å; I209-L333 CarbonylContact C-O 3.48Å; I209-L333 WeakPolarHBondContact CA-O 3.34Å; I209-L333 HydrophobicContact CG1-CB 4.46Å; I209-L333 HydrophobicContact CG2-CB 4.37Å |
| 210 | D | 93.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128 | -179.7 | 165 | 39.4 | 0 | 0 | 0 | 111 | Q212 S213 L214 L333 L334 R335 | D210-Q212 PolarHBondContact O-N 3.34Å; D210-Q212 PolarHBondContact OD1-N 2.76Å; D210-Q212 WeakPolarHBondContact OD2-CB 3.45Å; D210-S213 PolarHBondContact O-N 3.35Å; D210-S213 VanDerWaalsContact O-N 3.15Å; D210-S213 PolarHBondContact OD2-N 2.72Å; D210-S213 VanDerWaalsContact OD2-N 3.14Å; D210-S213 PolarHBondContact OD2-OG 2.94Å; D210-L214 PolarHBondContact O-N 3.36Å; D210-L214 VanDerWaalsContact O-N 3.09Å; D210-L333 PolarHBondContact N-O 3.05Å; D210-L334 HydrophobicContact CB-CD1 3.94Å; D210-R335 WeakPolarHBondContact OD2-CB 3.45Å |
| 211 | N | 92.6 | Very high | 92.3 | Very high | 33 Ų | 33 | 28.1 Ų | 28.1 | 18% | 0.176 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.4 | -35.8 | 177.6 | -83.9 | -19.2 | 0 | 0 | 0 | 112.4 | I177 Y178 L214 F215 M258 | I177-N211 WeakPolarHBondContact CG2-OD1 3.09Å; Y178-N211 PolarHBondContact O-N 3.15Å; N211-L214 PolarHBondContact O-N 2.93Å; N211-F215 WeakPolarHBondContact O-CB 3.46Å; N211-F215 PolarHBondContact O-N 3.24Å; N211-M258 HydrophobicContact CB-CE 3.79Å; N211-M258 VanDerWaalsContact O-CE 3.3Å; N211-M258 WeakPolarHBondContact O-CE 3.32Å; N211-M258 WeakPolarHBondContact OD1-CE 3.31Å |
| 212 | Q | 91.6 | Very high | 91.5 | Very high | 34 Ų | 34 | 26.9 Ų | 26.9 | 16% | 0.159 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 177.8 | -173.4 | 64.6 | 53.2 | 0 | 0 | 111 | D210 L214 F215 D216 | D210-Q212 PolarHBondContact O-N 3.34Å; D210-Q212 PolarHBondContact OD1-N 2.76Å; D210-Q212 WeakPolarHBondContact OD2-CB 3.45Å; Q212-L214 PolarHBondContact O-N 3.06Å; Q212-F215 WeakPolarHBondContact O-CB 3.46Å; Q212-F215 PolarHBondContact O-N 3.01Å; Q212-D216 PolarHBondContact NE2-OD1 2.97Å; Q212-D216 PolarHBondContact O-N 3.01Å |
| 213 | S | 92.1 | Very high | 90.6 | Very high | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | 178.7 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | D210 D216 I217 R335 | D210-S213 PolarHBondContact O-N 3.35Å; D210-S213 VanDerWaalsContact O-N 3.15Å; D210-S213 PolarHBondContact OD2-N 2.72Å; D210-S213 VanDerWaalsContact OD2-N 3.14Å; D210-S213 PolarHBondContact OD2-OG 2.94Å; S213-D216 PolarHBondContact O-N 2.92Å; S213-I217 WeakPolarHBondContact O-CB 3.46Å; S213-I217 VanDerWaalsContact O-CG1 3.31Å; S213-I217 WeakPolarHBondContact O-CG1 3.16Å; S213-I217 PolarHBondContact O-N 2.73Å; S213-R335 WeakPolarHBondContact OG-CA 3.38Å; S213-R335 WeakPolarHBondContact OG-CB 3.46Å; S213-R335 PolarHBondContact OG-N 2.7Å |
| 214 | L | 91.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 174 | -65.1 | -178.6 | 0 | 0 | 0 | 112.2 | I209 D210 N211 Q212 I217 I218 M258 I261 V262 L333 | I209-L214 HydrophobicContact CG2-CD1 3.65Å; I209-L214 HydrophobicContact CG2-CD2 4.08Å; I209-L214 HydrophobicContact CG2-CG 3.87Å; D210-L214 PolarHBondContact O-N 3.36Å; D210-L214 VanDerWaalsContact O-N 3.09Å; N211-L214 PolarHBondContact O-N 2.93Å; Q212-L214 PolarHBondContact O-N 3.06Å; L214-I217 PolarHBondContact O-N 3.47Å; L214-I218 WeakPolarHBondContact O-CD1 3.23Å; L214-I218 VanDerWaalsContact O-CG1 3.31Å; L214-I218 WeakPolarHBondContact O-CG1 3.43Å; L214-I218 PolarHBondContact O-N 3.17Å; L214-I218 VanDerWaalsContact O-N 3.07Å; L214-M258 HydrophobicContact CB-CB 4.21Å; L214-M258 HydrophobicContact CB-CE 3.71Å; L214-M258 HydrophobicContact CB-CG 3.96Å; L214-M258 HydrophobicContact CD1-CB 3.99Å; L214-M258 HydrophobicContact CD1-CE 4.06Å; L214-I261 HydrophobicContact CD2-CB 4.08Å; L214-I261 HydrophobicContact CD2-CD1 4.33Å; L214-I261 HydrophobicContact CD2-CG2 3.73Å; L214-V262 HydrophobicContact CD1-CG2 3.75Å; L214-L333 HydrophobicContact CD2-CD2 3.88Å |
| 215 | F | 90.1 | Very high | 88 | Confident | 112 Ų | 112 | 35.6 Ų | 35.6 | 49% | 0.491 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 176.3 | 179.2 | -92.3 | 0 | 0 | 0 | 112 | N211 Q212 I217 I218 S219 | N211-F215 WeakPolarHBondContact O-CB 3.46Å; N211-F215 PolarHBondContact O-N 3.24Å; Q212-F215 WeakPolarHBondContact O-CB 3.46Å; Q212-F215 PolarHBondContact O-N 3.01Å; F215-I217 VanDerWaalsContact C-N 3.32Å; F215-I217 PolarHBondContact O-N 2.82Å; F215-I218 PolarHBondContact O-N 3.12Å; F215-S219 WeakPolarHBondContact CE1-OG 3.38Å; F215-S219 WeakPolarHBondContact O-CB 3.21Å; F215-S219 PolarHBondContact O-N 2.74Å; F215-S219 PolarHBondContact O-OG 2.87Å |
| 216 | D | 90.1 | Very high | 86.7 | Confident | 80 Ų | 80 | 41.9 Ų | 41.9 | 43% | 0.428 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -42.3 | 178.8 | -68.2 | -10.2 | 0 | 0 | 0 | 110.9 | Q212 S213 S219 K220 | Q212-D216 PolarHBondContact NE2-OD1 2.97Å; Q212-D216 PolarHBondContact O-N 3.01Å; S213-D216 PolarHBondContact O-N 2.92Å; D216-S219 PolarHBondContact O-N 3.46Å; D216-K220 WeakPolarHBondContact O-CB 3.24Å; D216-K220 PolarHBondContact O-N 2.97Å |
| 217 | I | 88.6 | Confident | 85.2 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.4 | -50.4 | 174.2 | -77.1 | 166.4 | 0 | 0 | 0 | 111.1 | S213 L214 F215 K220 I221 I261 L306 L333 | S213-I217 WeakPolarHBondContact O-CB 3.46Å; S213-I217 VanDerWaalsContact O-CG1 3.31Å; S213-I217 WeakPolarHBondContact O-CG1 3.16Å; S213-I217 PolarHBondContact O-N 2.73Å; L214-I217 PolarHBondContact O-N 3.47Å; F215-I217 VanDerWaalsContact C-N 3.32Å; F215-I217 PolarHBondContact O-N 2.82Å; I217-K220 WeakPolarHBondContact O-CB 3.4Å; I217-K220 PolarHBondContact O-N 3.48Å; I217-I221 HydrophobicContact CG2-CD1 3.86Å; I217-I221 VanDerWaalsContact O-CG1 3.3Å; I217-I221 WeakPolarHBondContact O-CG1 3.35Å; I217-I221 PolarHBondContact O-N 2.59Å; I217-I261 HydrophobicContact CG2-CD1 3.75Å; I217-L306 HydrophobicContact CB-CD1 4.49Å; I217-L306 HydrophobicContact CD1-CD1 4.33Å; I217-L306 HydrophobicContact CG1-CD1 4.11Å; I217-L306 HydrophobicContact CG2-CD1 3.68Å; I217-L306 HydrophobicContact CG2-CD2 4.12Å; I217-L306 HydrophobicContact CG2-CG 4.38Å; I217-L333 HydrophobicContact CD1-CD2 3.99Å |
| 218 | I | 86.7 | Confident | 83.1 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.108 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | -178.5 | -68.8 | 160.6 | 0 | 0 | 0 | 110.8 | L214 F215 K220 I221 D222 T241 A257 M258 I261 | L214-I218 WeakPolarHBondContact O-CD1 3.23Å; L214-I218 VanDerWaalsContact O-CG1 3.31Å; L214-I218 WeakPolarHBondContact O-CG1 3.43Å; L214-I218 PolarHBondContact O-N 3.17Å; L214-I218 VanDerWaalsContact O-N 3.07Å; F215-I218 PolarHBondContact O-N 3.12Å; I218-K220 PolarHBondContact O-N 3.19Å; I218-I221 WeakPolarHBondContact O-CB 3.43Å; I218-I221 PolarHBondContact O-N 3.35Å; I218-D222 PolarHBondContact O-N 3.23Å; I218-T241 HydrophobicContact CG1-CG2 4.3Å; I218-A257 HydrophobicContact CD1-CB 3.68Å; I218-A257 HydrophobicContact CG1-CB 4.18Å; I218-A257 HydrophobicContact CG2-CB 4.37Å; I218-M258 HydrophobicContact CD1-CB 4.06Å; I218-M258 HydrophobicContact CD1-CG 3.2Å; I218-I261 HydrophobicContact CD1-CD1 4.25Å; I218-I261 HydrophobicContact CG1-CD1 3.92Å |
| 219 | S | 86.5 | Confident | 80.9 | Confident | 39 Ų | 39 | 56 Ų | 56 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.3 | -41.8 | 176.5 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | F215 D216 D222 L223 | F215-S219 WeakPolarHBondContact CE1-OG 3.38Å; F215-S219 WeakPolarHBondContact O-CB 3.21Å; F215-S219 PolarHBondContact O-N 2.74Å; F215-S219 PolarHBondContact O-OG 2.87Å; D216-S219 PolarHBondContact O-N 3.46Å; S219-D222 PolarHBondContact O-N 2.63Å; S219-L223 VanDerWaalsContact O-CG 3.28Å; S219-L223 WeakPolarHBondContact O-CG 3.4Å; S219-L223 PolarHBondContact O-N 2.94Å |
| 220 | K | 82.8 | Confident | 78.1 | Confident | 72 Ų | 72 | 65 Ų | 65 | 31% | 0.313 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 175.7 | -173.4 | 176 | 179.1 | -175.1 | 0 | 112.2 | D216 I217 I218 L223 M224 D330 | D216-K220 WeakPolarHBondContact O-CB 3.24Å; D216-K220 PolarHBondContact O-N 2.97Å; I217-K220 WeakPolarHBondContact O-CB 3.4Å; I217-K220 PolarHBondContact O-N 3.48Å; I218-K220 PolarHBondContact O-N 3.19Å; K220-L223 PolarHBondContact O-N 2.91Å; K220-M224 HydrophobicContact CD-CE 4.3Å; K220-M224 VanDerWaalsContact CE-CE 3.48Å; K220-M224 HydrophobicContact CG-CE 3.94Å; K220-M224 WeakPolarHBondContact O-CG 3.48Å; K220-M224 PolarHBondContact O-N 3.25Å; K220-M224 VanDerWaalsContact O-N 3.07Å; K220-D330 VanDerWaalsContact NZ-CG 3.33Å; K220-D330 IonicContact NZ-OD2 3.76Å; K220-D330 PolarHBondContact NZ-OD2 3.41Å |
| 221 | I | 79 | Confident | 75.9 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 175.7 | -68.9 | 166.3 | 0 | 0 | 0 | 110.3 | I217 I218 L223 M224 V225 L239 T241 L306 Y307 | I217-I221 HydrophobicContact CG2-CD1 3.86Å; I217-I221 VanDerWaalsContact O-CG1 3.3Å; I217-I221 WeakPolarHBondContact O-CG1 3.35Å; I217-I221 PolarHBondContact O-N 2.59Å; I218-I221 WeakPolarHBondContact O-CB 3.43Å; I218-I221 PolarHBondContact O-N 3.35Å; I221-L223 PolarHBondContact O-N 2.84Å; I221-M224 PolarHBondContact O-N 2.83Å; I221-M224 VanDerWaalsContact O-N 3.14Å; I221-V225 HydrophobicContact CG2-CG2 4.37Å; I221-V225 WeakPolarHBondContact O-CG2 3.32Å; I221-V225 PolarHBondContact O-N 2.5Å; I221-L239 HydrophobicContact CG2-CD2 3.6Å; I221-T241 HydrophobicContact CD1-CG2 4.27Å; I221-L306 HydrophobicContact CD1-CB 4.17Å; I221-Y307 HydrophobicContact CG1-CD1 4.03Å |
| 222 | D | 80.4 | Confident | 73.9 | Confident | 75 Ų | 75 | 68.2 Ų | 68.2 | 40% | 0.401 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | -178.5 | -74.1 | -19.1 | 0 | 0 | 0 | 111.8 | I218 S219 M224 V225 N226 | I218-D222 PolarHBondContact O-N 3.23Å; S219-D222 PolarHBondContact O-N 2.63Å; D222-M224 VanDerWaalsContact C-N 3.32Å; D222-M224 PolarHBondContact O-N 3.49Å; D222-V225 PolarHBondContact O-N 3.03Å; D222-N226 WeakPolarHBondContact O-CB 3.47Å; D222-N226 VanDerWaalsContact O-CG 3.22Å; D222-N226 PolarHBondContact O-N 2.9Å; D222-N226 PolarHBondContact O-ND2 3.28Å; D222-N226 VanDerWaalsContact O-ND2 3.09Å |
| 223 | L | 78.3 | Confident | 71.8 | Confident | 127 Ų | 127 | 70.8 Ų | 70.8 | 67% | 0.665 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.6 | -40.1 | 173 | -72.7 | 172.4 | 0 | 0 | 0 | 112.1 | S219 K220 I221 S227 | S219-L223 VanDerWaalsContact O-CG 3.28Å; S219-L223 WeakPolarHBondContact O-CG 3.4Å; S219-L223 PolarHBondContact O-N 2.94Å; K220-L223 PolarHBondContact O-N 2.91Å; I221-L223 PolarHBondContact O-N 2.84Å; L223-S227 WeakPolarHBondContact O-CB 3.41Å; L223-S227 PolarHBondContact O-N 2.79Å; L223-S227 PolarHBondContact O-OG 2.76Å |
| 224 | M | 70 | Confident | 70 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 29% | 0.286 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.1 | -40.1 | 177.5 | -72.6 | -174.6 | -174.8 | 0 | 0 | 112.7 | K220 I221 D222 N226 S227 Y307 | K220-M224 HydrophobicContact CD-CE 4.3Å; K220-M224 VanDerWaalsContact CE-CE 3.48Å; K220-M224 HydrophobicContact CG-CE 3.94Å; K220-M224 WeakPolarHBondContact O-CG 3.48Å; K220-M224 PolarHBondContact O-N 3.25Å; K220-M224 VanDerWaalsContact O-N 3.07Å; I221-M224 PolarHBondContact O-N 2.83Å; I221-M224 VanDerWaalsContact O-N 3.14Å; D222-M224 VanDerWaalsContact C-N 3.32Å; D222-M224 PolarHBondContact O-N 3.49Å; M224-N226 VanDerWaalsContact C-N 3.33Å; M224-N226 PolarHBondContact O-N 2.86Å; M224-S227 WeakPolarHBondContact CA-OG 3.25Å; M224-S227 PolarHBondContact O-OG 3.42Å; M224-Y307 HydrophobicContact SD-CE1 3.88Å; M224-Y307 HydrophobicContact SD-CE2 4.17Å; M224-Y307 PolarHBondContact SD-OH 3.28Å |
| 225 | V | 68.6 | Low | 68.2 | Low | 66 Ų | 66 | 75.1 Ų | 75.1 | 40% | 0.4 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | I221 D222 V234 | I221-V225 HydrophobicContact CG2-CG2 4.37Å; I221-V225 WeakPolarHBondContact O-CG2 3.32Å; I221-V225 PolarHBondContact O-N 2.5Å; D222-V225 PolarHBondContact O-N 3.03Å; V225-V234 HydrophobicContact CG2-CB 4.13Å; V225-V234 HydrophobicContact CG2-CG1 4.42Å; V225-V234 HydrophobicContact CG2-CG2 3.97Å |
| 226 | N | 69.6 | Low | 66.2 | Low | 132 Ų | 132 | 74.9 Ų | 74.9 | 71% | 0.706 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -82.2 | -18.4 | -175.5 | -67.1 | -29.1 | 0 | 0 | 0 | 114.3 | D222 M224 G228 | D222-N226 WeakPolarHBondContact O-CB 3.47Å; D222-N226 VanDerWaalsContact O-CG 3.22Å; D222-N226 PolarHBondContact O-N 2.9Å; D222-N226 PolarHBondContact O-ND2 3.28Å; D222-N226 VanDerWaalsContact O-ND2 3.09Å; M224-N226 VanDerWaalsContact C-N 3.33Å; M224-N226 PolarHBondContact O-N 2.86Å; N226-G228 VanDerWaalsContact C-N 3.32Å; N226-G228 PolarHBondContact O-N 2.95Å |
| 227 | S | 64.7 | Low | 64.2 | Low | 68 Ų | 68 | 78.8 Ų | 78.8 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -3.7 | -174 | 45.5 | 0 | 0 | 0 | 0 | 115.2 | L223 M224 K229 | L223-S227 WeakPolarHBondContact O-CB 3.41Å; L223-S227 PolarHBondContact O-N 2.79Å; L223-S227 PolarHBondContact O-OG 2.76Å; M224-S227 WeakPolarHBondContact CA-OG 3.25Å; M224-S227 PolarHBondContact O-OG 3.42Å; S227-K229 PolarHBondContact O-N 3.27Å |
| 228 | G | 55.2 | Low | 62.3 | Low | 70 Ų | 70 | 78.9 Ų | 78.9 | 72% | 0.722 | 45% | 0.448 | S | S | * | . | trans | 57.6 | 14.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | N226 L230 | N226-G228 VanDerWaalsContact C-N 3.32Å; N226-G228 PolarHBondContact O-N 2.95Å; G228-L230 PolarHBondContact O-N 3.43Å | ||
| 229 | K | 50 | Low | 60.9 | Low | 158 Ų | 158 | 79.3 Ų | 79.3 | 69% | 0.687 | 45% | 0.45 | S | S | * | . | trans | -65.1 | 134 | -179 | -77 | -177.4 | 177.4 | 177.2 | 0 | 110.8 | S227 G231 T232 | S227-K229 PolarHBondContact O-N 3.27Å; K229-G231 PolarHBondContact O-N 3.08Å; K229-T232 PolarHBondContact O-N 3.25Å; K229-T232 PolarHBondContact O-OG1 3.5Å | ||
| 230 | L | 37.5 | Very low | 59.4 | Low | 191 Ų | 191 | 78 Ų | 78 | 100% | 1 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 107.2 | -179.3 | -156.1 | 72.8 | 0 | 0 | 0 | 109.2 | G228 | G228-L230 PolarHBondContact O-N 3.43Š|
| 231 | G | 47.7 | Very low | 58 | Low | 50 Ų | 50 | 75 Ų | 75 | 52% | 0.515 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 120.7 | -10 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K229 | K229-G231 PolarHBondContact O-N 3.08Š|
| 232 | T | 50.9 | Low | 56.6 | Low | 56 Ų | 56 | 76.1 Ų | 76.1 | 34% | 0.344 | 44% | 0.436 | S | S | . | . | trans | -116.8 | 38.1 | 178.5 | 49.9 | 0 | 0 | 0 | 0 | 113 | K229 V234 L309 | K229-T232 PolarHBondContact O-N 3.25Å; K229-T232 PolarHBondContact O-OG1 3.5Å; T232-V234 PolarHBondContact O-N 3.14Å; T232-V234 VanDerWaalsContact O-N 3.12Å; T232-L309 HydrophobicContact CG2-CD2 4.45Å | ||
| 233 | T | 48.4 | Very low | 55.1 | Low | 89 Ų | 89 | 74.4 Ų | 74.4 | 55% | 0.546 | 43% | 0.43 | S | S | . | . | trans | -70.9 | 109.7 | 172.2 | -47.8 | 0 | 0 | 0 | 0 | 108.5 | T310 | T233-T310 HydrophobicContact CG2-CG2 4.03Å; T233-T310 WeakPolarHBondContact O-CB 3.43Å; T233-T310 WeakPolarHBondContact O-CG2 3.4Å; T233-T310 PolarHBondContact O-N 3.13Å; T233-T310 PolarHBondContact O-OG1 3.45Å | ||
| 234 | V | 53.4 | Low | 53.4 | Low | 19 Ų | 19 | 72.3 Ų | 72.3 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 130.3 | 176.1 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | V225 T232 P236 L239 Y307 L309 | V225-V234 HydrophobicContact CG2-CB 4.13Å; V225-V234 HydrophobicContact CG2-CG1 4.42Å; V225-V234 HydrophobicContact CG2-CG2 3.97Å; T232-V234 PolarHBondContact O-N 3.14Å; T232-V234 VanDerWaalsContact O-N 3.12Å; V234-P236 WeakPolarHBondContact O-CD 3.34Å; V234-L239 HydrophobicContact CG1-CD1 4.47Å; V234-L239 HydrophobicContact CG1-CD2 3.65Å; V234-L239 HydrophobicContact CG1-CG 3.87Å; V234-Y307 HydrophobicContact CG2-CD2 4.47Å; V234-L309 HydrophobicContact CG2-CD2 4.06Å |
| 235 | K | 54 | Low | 52 | Low | 83 Ų | 83 | 71.4 Ų | 71.4 | 36% | 0.361 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 125.7 | 172.9 | -83.6 | 179.8 | -175.3 | 172.1 | 0 | 108.6 | K237 S238 T308 T310 | K235-K237 PolarHBondContact O-N 2.99Å; K235-S238 WeakPolarHBondContact O-CB 3.31Å; K235-S238 PolarHBondContact O-N 3.49Å; K235-T308 PolarHBondContact N-O 3.43Å; K235-T310 HydrophobicContact CG-CG2 3.66Å |
| 236 | P | 46.9 | Very low | 50.5 | Low | 106 Ų | 106 | 70.7 Ų | 70.7 | 69% | 0.688 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.9 | -24.4 | 179.8 | -24.7 | 32.9 | 0 | 0 | 0 | 114 | V234 S242 | V234-P236 WeakPolarHBondContact O-CD 3.34Å; P236-S242 WeakPolarHBondContact O-CB 3.45Å; P236-S242 PolarHBondContact O-OG 2.97Å |
| 237 | K | 48.3 | Very low | 49 | Very low | 162 Ų | 162 | 70 Ų | 70 | 70% | 0.704 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 1.3 | 176.9 | -64.8 | -175.7 | 177.5 | -177 | 0 | 114.5 | K235 | K235-K237 PolarHBondContact O-N 2.99Å |
| 238 | S | 50.2 | Low | 47.6 | Very low | 10 Ų | 10 | 76.9 Ų | 76.9 | 7% | 0.07 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 11.3 | -171.3 | -96.6 | 0 | 0 | 0 | 0 | 113.3 | K235 T308 G391 H392 | K235-S238 WeakPolarHBondContact O-CB 3.31Å; K235-S238 PolarHBondContact O-N 3.49Å; S238-T308 WeakPolarHBondContact CB-OG1 3.39Å; S238-T308 PolarHBondContact O-N 3.11Å; S238-T308 PolarHBondContact O-OG1 2.66Å; S238-T308 VanDerWaalsContact O-OG1 3.08Å; S238-T308 VanDerWaalsContact OG-CB 3.26Å; S238-T308 WeakPolarHBondContact OG-CB 3.48Å; S238-T308 PolarHBondContact OG-OG1 3.31Å; S238-G391 PolarHBondContact OG-O 2.84Å; S238-H392 PolarHBondContact O-CE1 3.41Å; S238-H392 PolarHBondContact O-NE2 3.49Å |
| 239 | L | 56.8 | Low | 46.6 | Very low | 31 Ų | 31 | 78.9 Ų | 78.9 | 16% | 0.162 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 133.6 | 174.7 | -73.5 | 167.8 | 0 | 0 | 0 | 107.6 | I221 V234 T241 S242 | I221-L239 HydrophobicContact CG2-CD2 3.6Å; V234-L239 HydrophobicContact CG1-CD1 4.47Å; V234-L239 HydrophobicContact CG1-CD2 3.65Å; V234-L239 HydrophobicContact CG1-CG 3.87Å; L239-T241 WeakPolarHBondContact CB-OG1 3.31Å; L239-T241 PolarHBondContact O-N 3.3Å; L239-T241 VanDerWaalsContact O-N 3.09Å; L239-S242 PolarHBondContact N-OG 2.89Å; L239-S242 PolarHBondContact O-N 3.02Å; L239-S242 PolarHBondContact O-OG 2.87Å |
| 240 | V | 54.1 | Low | 45.8 | Very low | 10 Ų | 10 | 83 Ų | 83 | 6% | 0.061 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.1 | 165.5 | 176.2 | 0 | 0 | 0 | 0 | 110.1 | N260 I261 N264 L303 L306 | V240-N260 WeakPolarHBondContact O-CB 3.19Å; V240-I261 HydrophobicContact CG1-CB 4.48Å; V240-I261 HydrophobicContact CG1-CG1 4.03Å; V240-N264 HydrophobicContact CG1-CB 3.85Å; V240-N264 WeakPolarHBondContact CG1-ND2 2.91Å; V240-L303 HydrophobicContact CG1-CD2 3.99Å; V240-L303 HydrophobicContact CG2-CD2 4.38Å; V240-L306 WeakPolarHBondContact CG2-O 3.42Å; V240-L306 PolarHBondContact N-O 3.31Å |
| 241 | T | 53.2 | Low | 45.8 | Very low | 9 Ų | 9 | 81.4 Ų | 81.4 | 6% | 0.055 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -6.3 | 177.3 | 65.8 | 0 | 0 | 0 | 0 | 115 | I218 I221 L239 S243 A257 I261 | I218-T241 HydrophobicContact CG1-CG2 4.3Å; I221-T241 HydrophobicContact CD1-CG2 4.27Å; L239-T241 WeakPolarHBondContact CB-OG1 3.31Å; L239-T241 PolarHBondContact O-N 3.3Å; L239-T241 VanDerWaalsContact O-N 3.09Å; T241-S243 PolarHBondContact O-N 2.84Å; T241-A257 HydrophobicContact CG2-CB 4.03Å; T241-I261 HydrophobicContact CG2-CD1 4.45Å; T241-I261 HydrophobicContact CG2-CG1 4.42Å |
| 242 | S | 51 | Low | 46 | Very low | 29 Ų | 29 | 86.7 Ų | 86.7 | 20% | 0.203 | 46% | 0.455 | C | S | . | . | trans | -90.3 | 101.1 | -176.6 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | P236 L239 S244 | P236-S242 WeakPolarHBondContact O-CB 3.45Å; P236-S242 PolarHBondContact O-OG 2.97Å; L239-S242 PolarHBondContact N-OG 2.89Å; L239-S242 PolarHBondContact O-N 3.02Å; L239-S242 PolarHBondContact O-OG 2.87Å; S242-S244 PolarHBondContact O-N 2.75Å | ||
| 243 | S | 48.7 | Very low | 46.4 | Very low | 39 Ų | 39 | 88.1 Ų | 88.1 | 27% | 0.273 | 46% | 0.457 | S | S | . | . | trans | -69.8 | 70.2 | 158.3 | 55.4 | 0 | 0 | 0 | 0 | 110.1 | T241 G245 A246 | T241-S243 PolarHBondContact O-N 2.84Å; S243-G245 PolarHBondContact O-N 3.3Å; S243-A246 PolarHBondContact O-N 3.3Å; S243-A246 VanDerWaalsContact O-N 3.12Å | ||
| 244 | S | 42 | Very low | 46.9 | Very low | 82 Ų | 82 | 89.3 Ų | 89.3 | 57% | 0.573 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 24.3 | 176.9 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | S242 | S242-S244 PolarHBondContact O-N 2.75Š|
| 245 | G | 39.9 | Very low | 48.1 | Very low | 40 Ų | 40 | 92.9 Ų | 92.9 | 41% | 0.412 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -162.8 | 6.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R26 S243 L247 | R26-G245 PolarHBondContact NH2-O 2.89Å; S243-G245 PolarHBondContact O-N 3.3Å; G245-L247 PolarHBondContact O-N 2.74Å |
| 246 | A | 38 | Very low | 49.5 | Very low | 50 Ų | 50 | 91.1 Ų | 91.1 | 41% | 0.413 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -59.2 | 121.1 | 158 | 0 | 0 | 0 | 0 | 0 | 104.9 | S243 K248 | S243-A246 PolarHBondContact O-N 3.3Å; S243-A246 VanDerWaalsContact O-N 3.12Å; A246-K248 PolarHBondContact O-N 3.04Å |
| 247 | L | 38.5 | Very low | 51.3 | Low | 117 Ų | 117 | 86.9 Ų | 86.9 | 61% | 0.613 | 45% | 0.449 | S | S | * | . | trans | -40 | 133.2 | 167.1 | -77.6 | 91.9 | 0 | 0 | 0 | 106.9 | P88 G245 T249 | P88-L247 HydrophobicContact CB-CD1 4.25Å; P88-L247 HydrophobicContact CG-CD1 4.09Å; G245-L247 PolarHBondContact O-N 2.74Å; L247-T249 PolarHBondContact O-N 3.18Å; L247-T249 PolarHBondContact O-OG1 3.27Å | ||
| 248 | K | 34.2 | Very low | 53.3 | Low | 213 Ų | 213 | 79.6 Ų | 79.6 | 93% | 0.926 | 42% | 0.417 | S | S | * | . | trans | -60.4 | 69.7 | 174.2 | -71 | 177.9 | 175.8 | 177.4 | 0 | 109.6 | A246 | A246-K248 PolarHBondContact O-N 3.04Š| ||
| 249 | T | 34.6 | Very low | 55.3 | Low | 112 Ų | 112 | 79.6 Ų | 79.6 | 69% | 0.687 | 42% | 0.417 | S | S | * | . | trans | -72.3 | 126.8 | 160.5 | 42.2 | 0 | 0 | 0 | 0 | 105.4 | L247 H251 | L247-T249 PolarHBondContact O-N 3.18Å; L247-T249 PolarHBondContact O-OG1 3.27Å; T249-H251 PolarHBondContact O-N 3.47Å | ||
| 250 | R | 34 | Very low | 56.8 | Low | 245 Ų | 245 | 78.4 Ų | 78.4 | 93% | 0.925 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -62.7 | 8.8 | -168.4 | -106.1 | 173.6 | 168.6 | 176.7 | -4.3 | 115.4 | ||
| 251 | H | 37.5 | Very low | 58.7 | Low | 158 Ų | 158 | 78 Ų | 78 | 73% | 0.731 | 41% | 0.408 | S | S | * | . | trans | -140.9 | 106.2 | 178.8 | -72.1 | -80 | 0 | 0 | 0 | 110 | T249 K253 | T249-H251 PolarHBondContact O-N 3.47Å; H251-K253 PolarHBondContact O-N 3.34Å | ||
| 252 | K | 51.6 | Low | 60.6 | Low | 161 Ų | 161 | 77.6 Ų | 77.6 | 70% | 0.7 | 41% | 0.405 | S | S | * | . | trans | -64.4 | 116.8 | 167.1 | -138.2 | -178.3 | -177.6 | -170.2 | 0 | 106.3 | ||||
| 253 | K | 59.6 | Low | 62.7 | Low | 85 Ų | 85 | 76.2 Ų | 76.2 | 37% | 0.37 | 40% | 0.396 | S | S | . | . | trans | -69.3 | 147.4 | -179.8 | -62.6 | -177.9 | 171.9 | -169 | 0 | 108.8 | E83 H251 F255 D256 | E83-K253 IonicContact OE1-NZ 3.31Å; E83-K253 PolarHBondContact OE1-NZ 3.34Å; E83-K253 IonicContact OE2-NZ 3.37Å; E83-K253 PolarHBondContact OE2-NZ 3.5Å; H251-K253 PolarHBondContact O-N 3.34Å; K253-F255 PolarHBondContact O-N 3.15Å; K253-D256 WeakPolarHBondContact CB-OD2 3.47Å; K253-D256 PolarHBondContact N-OD2 3.26Å; K253-D256 PolarHBondContact O-N 3.23Å | ||
| 254 | P | 59.3 | Low | 64.8 | Low | 114 Ų | 114 | 75.1 Ų | 75.1 | 74% | 0.74 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.5 | -173.7 | 16.6 | -28.6 | 0 | 0 | 0 | 114.3 | ||
| 255 | F | 78.3 | Confident | 67.3 | Low | 94 Ų | 94 | 71.2 Ų | 71.2 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -5 | -177.2 | -61.8 | -75.3 | 0 | 0 | 0 | 115.1 | K253 A257 M258 N259 | K253-F255 PolarHBondContact O-N 3.15Å; F255-A257 VanDerWaalsContact C-N 3.3Å; F255-A257 PolarHBondContact O-N 2.69Å; F255-M258 HydrophobicContact CD1-CE 4.27Å; F255-M258 HydrophobicContact CD1-SD 3.63Å; F255-M258 HydrophobicContact CE1-SD 4.17Å; F255-M258 WeakPolarHBondContact O-CB 3.24Å; F255-M258 PolarHBondContact O-N 2.93Å; F255-N259 VanDerWaalsContact O-CG 3.24Å; F255-N259 PolarHBondContact O-N 2.8Å; F255-N259 PolarHBondContact O-ND2 3.05Å |
| 256 | D | 82.2 | Confident | 70 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.1 | -40 | -172.6 | -71.4 | -21.1 | 0 | 0 | 0 | 112.5 | K253 M258 N260 | K253-D256 WeakPolarHBondContact CB-OD2 3.47Å; K253-D256 PolarHBondContact N-OD2 3.26Å; K253-D256 PolarHBondContact O-N 3.23Å; D256-M258 VanDerWaalsContact C-N 3.35Å; D256-N260 PolarHBondContact O-N 3.15Å; D256-N260 VanDerWaalsContact O-N 3.09Å; D256-N260 PolarHBondContact O-ND2 3.14Å |
| 257 | A | 85.2 | Confident | 72.7 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I218 T241 F255 I261 | I218-A257 HydrophobicContact CD1-CB 3.68Å; I218-A257 HydrophobicContact CG1-CB 4.18Å; I218-A257 HydrophobicContact CG2-CB 4.37Å; T241-A257 HydrophobicContact CG2-CB 4.03Å; F255-A257 VanDerWaalsContact C-N 3.3Å; F255-A257 PolarHBondContact O-N 2.69Å; A257-I261 PolarHBondContact O-N 3.04Å |
| 258 | M | 89.8 | Confident | 75.3 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.4 | -47.8 | 176.9 | -64.3 | 170.7 | 67.7 | 0 | 0 | 110.4 | N211 L214 I218 F255 D256 N260 I261 V262 | N211-M258 HydrophobicContact CB-CE 3.79Å; N211-M258 VanDerWaalsContact O-CE 3.3Å; N211-M258 WeakPolarHBondContact O-CE 3.32Å; N211-M258 WeakPolarHBondContact OD1-CE 3.31Å; L214-M258 HydrophobicContact CB-CB 4.21Å; L214-M258 HydrophobicContact CB-CE 3.71Å; L214-M258 HydrophobicContact CB-CG 3.96Å; L214-M258 HydrophobicContact CD1-CB 3.99Å; L214-M258 HydrophobicContact CD1-CE 4.06Å; I218-M258 HydrophobicContact CD1-CB 4.06Å; I218-M258 HydrophobicContact CD1-CG 3.2Å; F255-M258 HydrophobicContact CD1-CE 4.27Å; F255-M258 HydrophobicContact CD1-SD 3.63Å; F255-M258 HydrophobicContact CE1-SD 4.17Å; F255-M258 WeakPolarHBondContact O-CB 3.24Å; F255-M258 PolarHBondContact O-N 2.93Å; D256-M258 VanDerWaalsContact C-N 3.35Å; M258-N260 PolarHBondContact O-N 3.22Å; M258-I261 WeakPolarHBondContact O-CB 3.44Å; M258-I261 PolarHBondContact O-N 3.12Å; M258-V262 PolarHBondContact O-N 3.47Å |
| 259 | N | 92.3 | Very high | 78.2 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.053 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.2 | -36.4 | 179 | -66.3 | -16.5 | 0 | 0 | 0 | 111.9 | I16 C19 F255 I261 V262 A263 | I16-N259 HydrophobicContact CG1-CB 4.12Å; I16-N259 VanDerWaalsContact CG1-OD1 3.28Å; I16-N259 WeakPolarHBondContact CG1-OD1 3.24Å; C19-N259 HydrophobicContact CB-CB 4.39Å; F255-N259 VanDerWaalsContact O-CG 3.24Å; F255-N259 PolarHBondContact O-N 2.8Å; F255-N259 PolarHBondContact O-ND2 3.05Å; N259-I261 VanDerWaalsContact C-N 3.35Å; N259-I261 PolarHBondContact O-N 3.28Å; N259-V262 PolarHBondContact O-N 3.32Å; N259-A263 VanDerWaalsContact O-CB 3.3Å; N259-A263 WeakPolarHBondContact O-CB 3.43Å; N259-A263 PolarHBondContact O-N 3.22Å |
| 260 | N | 89.8 | Confident | 81 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -35.5 | 174.7 | -77.5 | -48.3 | 0 | 0 | 0 | 113.2 | V240 D256 M258 N264 | V240-N260 WeakPolarHBondContact O-CB 3.19Å; D256-N260 PolarHBondContact O-N 3.15Å; D256-N260 VanDerWaalsContact O-N 3.09Å; D256-N260 PolarHBondContact O-ND2 3.14Å; M258-N260 PolarHBondContact O-N 3.22Å; N260-N264 WeakPolarHBondContact O-CB 3.21Å; N260-N264 PolarHBondContact O-N 2.77Å; N260-N264 PolarHBondContact O-ND2 3.06Å |
| 261 | I | 92.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 175.7 | -64.1 | 168.9 | 0 | 0 | 0 | 109.8 | L214 I217 I218 V240 T241 A257 M258 N259 N264 L265 L303 L333 | L214-I261 HydrophobicContact CD2-CB 4.08Å; L214-I261 HydrophobicContact CD2-CD1 4.33Å; L214-I261 HydrophobicContact CD2-CG2 3.73Å; I217-I261 HydrophobicContact CG2-CD1 3.75Å; I218-I261 HydrophobicContact CD1-CD1 4.25Å; I218-I261 HydrophobicContact CG1-CD1 3.92Å; V240-I261 HydrophobicContact CG1-CB 4.48Å; V240-I261 HydrophobicContact CG1-CG1 4.03Å; T241-I261 HydrophobicContact CG2-CD1 4.45Å; T241-I261 HydrophobicContact CG2-CG1 4.42Å; A257-I261 PolarHBondContact O-N 3.04Å; M258-I261 WeakPolarHBondContact O-CB 3.44Å; M258-I261 PolarHBondContact O-N 3.12Å; N259-I261 VanDerWaalsContact C-N 3.35Å; N259-I261 PolarHBondContact O-N 3.28Å; I261-N264 PolarHBondContact O-N 3.46Å; I261-L265 PolarHBondContact O-N 3.31Å; I261-L303 HydrophobicContact CG2-CD2 4.47Å; I261-L333 HydrophobicContact CG2-CD2 3.63Å |
| 262 | V | 94.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.1 | -41.2 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | I16 T175 I209 L214 M258 N259 N264 L265 L266 | I16-V262 HydrophobicContact CD1-CB 4.42Å; I16-V262 HydrophobicContact CD1-CG1 4.21Å; I16-V262 HydrophobicContact CD1-CG2 4.45Å; I16-V262 HydrophobicContact CG2-CB 3.97Å; I16-V262 HydrophobicContact CG2-CG1 3.62Å; T175-V262 HydrophobicContact CG2-CG1 3.8Å; I209-V262 HydrophobicContact CD1-CB 4.19Å; I209-V262 HydrophobicContact CD1-CG1 3.51Å; I209-V262 HydrophobicContact CD1-CG2 3.83Å; I209-V262 HydrophobicContact CG2-CG2 4.11Å; L214-V262 HydrophobicContact CD1-CG2 3.75Å; M258-V262 PolarHBondContact O-N 3.47Å; N259-V262 PolarHBondContact O-N 3.32Å; V262-N264 VanDerWaalsContact C-N 3.33Å; V262-N264 PolarHBondContact O-N 2.87Å; V262-L265 VanDerWaalsContact O-CB 3.32Å; V262-L265 WeakPolarHBondContact O-CB 3.39Å; V262-L265 PolarHBondContact O-N 3.29Å; V262-L266 PolarHBondContact O-N 2.89Å |
| 263 | A | 94 | Very high | 87.9 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C19 F20 L23 N259 L266 L267 | C19-A263 HydrophobicContact CB-CB 3.91Å; F20-A263 HydrophobicContact CB-CB 4.11Å; L23-A263 HydrophobicContact CD1-CB 3.79Å; N259-A263 VanDerWaalsContact O-CB 3.3Å; N259-A263 WeakPolarHBondContact O-CB 3.43Å; N259-A263 PolarHBondContact O-N 3.22Å; A263-L266 PolarHBondContact O-N 2.92Å; A263-L267 WeakPolarHBondContact O-CG 3.29Å; A263-L267 PolarHBondContact O-N 3.35Å |
| 264 | N | 93.3 | Very high | 89.4 | Confident | 17 Ų | 17 | 17 Ų | 17 | 9% | 0.091 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.6 | -35 | 175.4 | -84.1 | -81.1 | 0 | 0 | 0 | 112.7 | L23 V240 N260 I261 V262 L266 L267 N268 L303 | L23-N264 WeakPolarHBondContact CD1-ND2 3.2Å; V240-N264 HydrophobicContact CG1-CB 3.85Å; V240-N264 WeakPolarHBondContact CG1-ND2 2.91Å; N260-N264 WeakPolarHBondContact O-CB 3.21Å; N260-N264 PolarHBondContact O-N 2.77Å; N260-N264 PolarHBondContact O-ND2 3.06Å; I261-N264 PolarHBondContact O-N 3.46Å; V262-N264 VanDerWaalsContact C-N 3.33Å; V262-N264 PolarHBondContact O-N 2.87Å; N264-L266 VanDerWaalsContact C-N 3.34Å; N264-L266 PolarHBondContact O-N 3.06Å; N264-L267 PolarHBondContact O-N 3.44Å; N264-N268 PolarHBondContact O-N 2.98Å; N264-N268 PolarHBondContact O-ND2 3.33Å; N264-L303 HydrophobicContact CB-CD2 4.04Å |
| 265 | L | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -53.7 | -52.7 | 170.6 | 167.3 | 70.4 | 0 | 0 | 0 | 110.5 | I209 I261 V262 L267 N268 L269 L333 L397 | I209-L265 HydrophobicContact CD1-CD2 3.56Å; I209-L265 HydrophobicContact CG1-CD2 4.28Å; I261-L265 PolarHBondContact O-N 3.31Å; V262-L265 VanDerWaalsContact O-CB 3.32Å; V262-L265 WeakPolarHBondContact O-CB 3.39Å; V262-L265 PolarHBondContact O-N 3.29Å; L265-L267 VanDerWaalsContact C-N 3.34Å; L265-L267 PolarHBondContact O-N 2.79Å; L265-N268 PolarHBondContact O-N 3.11Å; L265-L269 WeakPolarHBondContact O-CB 3.06Å; L265-L269 PolarHBondContact O-N 2.84Å; L265-L333 HydrophobicContact CB-CD1 4.18Å; L265-L333 HydrophobicContact CD1-CD1 4.17Å; L265-L333 HydrophobicContact CD2-CD1 3.85Å; L265-L333 HydrophobicContact CG-CD1 4.29Å; L265-L397 HydrophobicContact CD1-CD1 3.25Å; L265-L397 HydrophobicContact CD1-CD2 3.94Å; L265-L397 HydrophobicContact CD1-CG 4.24Å |
| 266 | L | 95.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63 | -37.5 | -179.8 | -67.9 | 174.4 | 0 | 0 | 0 | 113 | F20 F142 I144 T175 V262 A263 N264 L269 T270 | F20-L266 HydrophobicContact CD2-CB 3.72Å; F20-L266 HydrophobicContact CD2-CD1 4.18Å; F20-L266 HydrophobicContact CE2-CB 3.84Å; F20-L266 HydrophobicContact CG-CD1 4.5Å; F142-L266 HydrophobicContact CD1-CD2 4.49Å; I144-L266 HydrophobicContact CD1-CD1 3.5Å; I144-L266 HydrophobicContact CG1-CD1 4.19Å; T175-L266 WeakPolarHBondContact OG1-CD2 3.34Å; V262-L266 PolarHBondContact O-N 2.89Å; A263-L266 PolarHBondContact O-N 2.92Å; N264-L266 VanDerWaalsContact C-N 3.34Å; N264-L266 PolarHBondContact O-N 3.06Å; L266-L269 HydrophobicContact CD2-CD2 4.36Å; L266-T270 WeakPolarHBondContact O-CB 3.37Å; L266-T270 VanDerWaalsContact O-CG2 3.29Å; L266-T270 WeakPolarHBondContact O-CG2 3.43Å; L266-T270 PolarHBondContact O-N 2.76Å; L266-T270 PolarHBondContact O-OG1 2.89Å |
| 267 | L | 94.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.6 | -40 | 175.1 | -68.8 | 172.1 | 0 | 0 | 0 | 112.4 | F20 L23 A24 A263 N264 L265 T270 S271 R274 | F20-L267 HydrophobicContact CD2-CD2 4.12Å; F20-L267 HydrophobicContact CD2-CG 4.24Å; F20-L267 HydrophobicContact CE2-CD2 3.8Å; F20-L267 HydrophobicContact CE2-CG 4.28Å; L23-L267 HydrophobicContact CB-CD1 3.4Å; L23-L267 HydrophobicContact CD1-CD1 4.26Å; L23-L267 HydrophobicContact CG-CD1 4.47Å; A24-L267 HydrophobicContact CB-CD2 3.83Å; A263-L267 WeakPolarHBondContact O-CG 3.29Å; A263-L267 PolarHBondContact O-N 3.35Å; N264-L267 PolarHBondContact O-N 3.44Å; L265-L267 VanDerWaalsContact C-N 3.34Å; L265-L267 PolarHBondContact O-N 2.79Å; L267-T270 PolarHBondContact O-OG1 3.39Å; L267-S271 WeakPolarHBondContact O-CB 3.28Å; L267-S271 PolarHBondContact O-N 3Å; L267-S271 VanDerWaalsContact O-N 3.15Å; L267-R274 PolarHBondContact O-NH2 3.14Å |
| 268 | N | 94.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.5 | -44 | 175.8 | -79.1 | -87 | 0 | 0 | 0 | 111 | N264 L265 T270 S271 R351 S395 L397 | N264-N268 PolarHBondContact O-N 2.98Å; N264-N268 PolarHBondContact O-ND2 3.33Å; L265-N268 PolarHBondContact O-N 3.11Å; N268-T270 VanDerWaalsContact C-N 3.26Å; N268-T270 PolarHBondContact O-N 2.67Å; N268-S271 WeakPolarHBondContact O-CB 3.45Å; N268-S271 PolarHBondContact O-N 3.19Å; N268-S271 PolarHBondContact O-OG 2.74Å; N268-R351 WeakPolarHBondContact OD1-CD 3.48Å; N268-S395 PolarHBondContact OD1-OG 3.48Å; N268-L397 HydrophobicContact CB-CB 3.8Å; N268-L397 HydrophobicContact CB-CD2 3.81Å; N268-L397 HydrophobicContact CB-CG 4.44Å |
| 269 | L | 94.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.5 | -42 | 176.7 | -177.8 | 70.4 | 0 | 0 | 0 | 112.1 | F142 L207 L265 L266 L283 I286 M349 L397 L399 | F142-L269 HydrophobicContact CE1-CD2 3.74Å; F142-L269 HydrophobicContact CZ-CD2 4.27Å; L207-L269 HydrophobicContact CD1-CD2 3.77Å; L265-L269 WeakPolarHBondContact O-CB 3.06Å; L265-L269 PolarHBondContact O-N 2.84Å; L266-L269 HydrophobicContact CD2-CD2 4.36Å; L269-L283 HydrophobicContact CG-CD2 4.09Å; L269-I286 HydrophobicContact CD1-CD1 3.44Å; L269-I286 VanDerWaalsContact CD1-CD1 3.44Å; L269-I286 HydrophobicContact CG-CD1 4.37Å; L269-M349 HydrophobicContact CD1-SD 4.07Å; L269-M349 WeakPolarHBondContact O-CE 3.35Å; L269-L397 HydrophobicContact CB-CD2 3.95Å; L269-L397 HydrophobicContact CD1-CD2 4.42Å; L269-L399 HydrophobicContact CD1-CD1 3.58Å |
| 270 | T | 93.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 4 | -174 | 60.3 | 0 | 0 | 0 | 0 | 113 | F44 F142 L266 L267 N268 S272 A273 R274 L283 | F44-T270 HydrophobicContact CE2-CG2 4.17Å; F44-T270 HydrophobicContact CZ-CG2 3.59Å; F142-T270 HydrophobicContact CE2-CG2 3.86Å; F142-T270 HydrophobicContact CZ-CG2 3.61Å; L266-T270 WeakPolarHBondContact O-CB 3.37Å; L266-T270 VanDerWaalsContact O-CG2 3.29Å; L266-T270 WeakPolarHBondContact O-CG2 3.43Å; L266-T270 PolarHBondContact O-N 2.76Å; L266-T270 PolarHBondContact O-OG1 2.89Å; L267-T270 PolarHBondContact O-OG1 3.39Å; N268-T270 VanDerWaalsContact C-N 3.26Å; N268-T270 PolarHBondContact O-N 2.67Å; T270-S272 PolarHBondContact O-N 2.99Å; T270-A273 PolarHBondContact O-N 2.95Å; T270-R274 WeakPolarHBondContact O-CG 3.3Å; T270-R274 PolarHBondContact O-N 3.18Å; T270-R274 PolarHBondContact O-NE 3.01Å; T270-R274 PolarHBondContact OG1-NE 3.39Å; T270-L283 HydrophobicContact CG2-CD1 4.43Å; T270-L283 HydrophobicContact CG2-CD2 4.39Å |
| 271 | S | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.3 | -43.3 | -174 | 61.2 | 0 | 0 | 0 | 0 | 113 | L267 N268 A273 R274 F275 R351 | L267-S271 WeakPolarHBondContact O-CB 3.28Å; L267-S271 PolarHBondContact O-N 3Å; L267-S271 VanDerWaalsContact O-N 3.15Å; N268-S271 WeakPolarHBondContact O-CB 3.45Å; N268-S271 PolarHBondContact O-N 3.19Å; N268-S271 PolarHBondContact O-OG 2.74Å; S271-A273 VanDerWaalsContact C-N 3.25Å; S271-A273 PolarHBondContact O-N 3.3Å; S271-R274 PolarHBondContact O-N 3.49Å; S271-F275 PolarHBondContact O-N 3.28Å; S271-R351 VanDerWaalsContact CB-NE 3.34Å; S271-R351 WeakPolarHBondContact OG-CD 3.35Å |
| 272 | S | 88.9 | Confident | 90.4 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.2 | -27.1 | 179.4 | -51.3 | 0 | 0 | 0 | 0 | 113.4 | T270 M281 S383 | T270-S272 PolarHBondContact O-N 2.99Å; S272-M281 WeakPolarHBondContact CB-O 3.46Å; S272-S383 WeakPolarHBondContact OG-CB 3.45Å; S272-S383 PolarHBondContact OG-OG 2.78Å; S272-S383 VanDerWaalsContact OG-OG 3.06Å |
| 273 | A | 86.7 | Confident | 90 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -80.2 | -27.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | M1 T270 S271 | M1-A273 VanDerWaalsContact CG-O 3.28Å; M1-A273 WeakPolarHBondContact CG-O 3.22Å; T270-A273 PolarHBondContact O-N 2.95Å; S271-A273 VanDerWaalsContact C-N 3.25Å; S271-A273 PolarHBondContact O-N 3.3Å |
| 274 | R | 89.9 | Confident | 89.6 | Confident | 9 Ų | 9 | 29 Ų | 29 | 3% | 0.034 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -95 | -37.8 | -175.5 | -68.4 | -176.8 | -66.5 | 116.3 | -0.1 | 113.5 | E27 A40 F44 L267 T270 S271 | E27-R274 IonicContact OE2-CZ 3.47Å; E27-R274 IonicContact OE2-NH1 3.88Å; E27-R274 PolarHBondContact OE2-NH1 2.92Å; E27-R274 IonicContact OE2-NH2 2.73Å; E27-R274 PolarHBondContact OE2-NH2 2.94Å; A40-R274 WeakPolarHBondContact CA-O 3.46Å; A40-R274 HydrophobicContact CB-CB 4.45Å; A40-R274 WeakPolarHBondContact CB-O 3.48Å; F44-R274 HydrophobicContact CE2-CG 4.41Å; L267-R274 PolarHBondContact O-NH2 3.14Å; T270-R274 WeakPolarHBondContact O-CG 3.3Å; T270-R274 PolarHBondContact O-N 3.18Å; T270-R274 PolarHBondContact O-NE 3.01Å; T270-R274 PolarHBondContact OG1-NE 3.39Å; S271-R274 PolarHBondContact O-N 3.49Å |
| 275 | F | 90.7 | Very high | 89.4 | Confident | 9 Ų | 9 | 31 Ų | 31 | 4% | 0.039 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -122.1 | 143.2 | -170.5 | -59.7 | -56 | 0 | 0 | 0 | 110.6 | E27 V31 A40 S271 G277 C385 I387 | E27-F275 HydrophobicContact CG-CE2 3.93Å; E27-F275 HydrophobicContact CG-CZ 3.93Å; E27-F275 WeakPolarHBondContact OE2-CE2 3.38Å; V31-F275 HydrophobicContact CG2-CE1 4.35Å; A40-F275 HydrophobicContact CB-CD1 3.81Å; A40-F275 HydrophobicContact CB-CE1 3.79Å; S271-F275 PolarHBondContact O-N 3.28Å; F275-G277 PolarHBondContact O-N 2.94Å; F275-C385 VanDerWaalsContact CB-SG 3.57Å; F275-I387 HydrophobicContact CB-CB 4.24Å; F275-I387 HydrophobicContact CB-CD1 3.73Å; F275-I387 HydrophobicContact CB-CG1 4.04Å; F275-I387 HydrophobicContact CD1-CD1 3.54Å; F275-I387 HydrophobicContact CD2-CB 4.29Å; F275-I387 HydrophobicContact CD2-CG2 4.36Å; F275-I387 HydrophobicContact CE1-CD1 4.24Å; F275-I387 HydrophobicContact CE2-CG2 4.46Å; F275-I387 HydrophobicContact CG-CB 4.21Å; F275-I387 HydrophobicContact CG-CD1 3.7Å; F275-I387 HydrophobicContact CG-CG1 4.28Å; F275-I387 HydrophobicContact CG-CG2 4.47Å |
| 276 | E | 84.6 | Confident | 89.2 | Confident | 165 Ų | 165 | 31 Ų | 31 | 77% | 0.771 | 17% | 0.17 | S | C | * | . | trans | -63.3 | 138.2 | 176.3 | -64.1 | -176.1 | 174 | 0 | 0 | 111.4 | S386 | E276-S386 PolarHBondContact O-N 2.9Š| ||
| 277 | G | 85.5 | Confident | 89 | Confident | 21 Ų | 21 | 31.5 Ų | 31.5 | 22% | 0.216 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 165 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F275 L279 N280 L384 | F275-G277 PolarHBondContact O-N 2.94Å; G277-L279 VanDerWaalsContact C-N 3.25Å; G277-N280 WeakPolarHBondContact CA-OD1 3.44Å; G277-N280 PolarHBondContact N-OD1 3.5Å; G277-N280 VanDerWaalsContact N-OD1 3.14Å; G277-N280 PolarHBondContact O-OD1 3.27Å; G277-L384 CarbonylContact C-O 3.53Å; G277-L384 WeakPolarHBondContact CA-O 3.45Å |
| 278 | S | 85.9 | Confident | 88.8 | Confident | 77 Ų | 77 | 37 Ų | 37 | 54% | 0.538 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -21.6 | 173.5 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | L384 | S278-L384 PolarHBondContact N-O 3.23Å |
| 279 | L | 87.1 | Confident | 88.8 | Confident | 67 Ų | 67 | 40.6 Ų | 40.6 | 35% | 0.351 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 100.1 | 175.8 | -173.8 | 66.8 | 0 | 0 | 0 | 108.8 | G277 T382 S383 L384 | G277-L279 VanDerWaalsContact C-N 3.25Å; L279-T382 WeakPolarHBondContact CD2-O 3.01Å; L279-T382 WeakPolarHBondContact CD2-OG1 3.32Å; L279-S383 CarbonylContact O-C 3.24Å; L279-S383 WeakPolarHBondContact O-CA 3.49Å; L279-L384 HydrophobicContact CB-CB 4.14Å; L279-L384 PolarHBondContact N-O 2.64Å; L279-L384 PolarHBondContact O-N 3.03Å |
| 280 | N | 85.2 | Confident | 88.8 | Confident | 83 Ų | 83 | 40.5 Ų | 40.5 | 44% | 0.444 | 22% | 0.22 | S | C | . | . | trans | -85.8 | 145.9 | 178.3 | -61.8 | -23 | 0 | 0 | 0 | 109.9 | G277 | G277-N280 WeakPolarHBondContact CA-OD1 3.44Å; G277-N280 PolarHBondContact N-OD1 3.5Å; G277-N280 VanDerWaalsContact N-OD1 3.14Å; G277-N280 PolarHBondContact O-OD1 3.27Å | ||
| 281 | M | 86.4 | Confident | 88.8 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | trans | -132.5 | 119.9 | 175.8 | 176.8 | -155 | -139.5 | 0 | 0 | 105.9 | S272 E285 I286 A347 M349 K381 | S272-M281 WeakPolarHBondContact CB-O 3.46Å; M281-E285 HydrophobicContact CG-CB 4.14Å; M281-I286 HydrophobicContact CE-CG1 3.84Å; M281-I286 HydrophobicContact CG-CG1 4.47Å; M281-I286 HydrophobicContact SD-CD1 4.23Å; M281-I286 HydrophobicContact SD-CG1 3.71Å; M281-A347 HydrophobicContact CE-CB 3.58Å; M281-M349 HydrophobicContact SD-CE 3.98Å; M281-M349 HydrophobicContact SD-CG 4.38Å; M281-M349 HydrophobicContact SD-SD 4.33Å; M281-K381 HydrophobicContact CE-CB 4Å; M281-K381 HydrophobicContact CE-CG 3.33Å | ||
| 282 | D | 85.2 | Confident | 88.8 | Confident | 79 Ų | 79 | 43.8 Ų | 43.8 | 42% | 0.422 | 24% | 0.241 | S | C | . | . | trans | -74.8 | 152.7 | 175.2 | -71 | -27.4 | 0 | 0 | 0 | 110.3 | N284 E285 | D282-N284 PolarHBondContact O-N 3.44Å; D282-E285 HydrophobicContact CB-CG 4.25Å; D282-E285 VanDerWaalsContact O-CB 3.28Å; D282-E285 WeakPolarHBondContact O-CB 3.33Å; D282-E285 PolarHBondContact O-N 3.09Å | ||
| 283 | L | 86.3 | Confident | 89 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.1 | -36.9 | -179.6 | -66.3 | 171.6 | 0 | 0 | 0 | 111.6 | Q139 F142 F173 L269 T270 E285 I286 | Q139-L283 HydrophobicContact CG-CB 4.36Å; F142-L283 HydrophobicContact CE2-CD1 3.81Å; F142-L283 HydrophobicContact CZ-CD1 3.55Å; F142-L283 HydrophobicContact CZ-CD2 4.16Å; F142-L283 HydrophobicContact CZ-CG 4.48Å; F173-L283 HydrophobicContact CE2-CB 4.32Å; F173-L283 HydrophobicContact CZ-CB 4.41Å; F173-L283 VanDerWaalsContact CZ-O 3.24Å; F173-L283 WeakPolarHBondContact CZ-O 3.18Å; L269-L283 HydrophobicContact CG-CD2 4.09Å; T270-L283 HydrophobicContact CG2-CD1 4.43Å; T270-L283 HydrophobicContact CG2-CD2 4.39Å; L283-E285 PolarHBondContact O-N 3.44Å; L283-I286 HydrophobicContact CD2-CD1 3.93Å; L283-I286 WeakPolarHBondContact O-CB 3.44Å; L283-I286 WeakPolarHBondContact O-CG1 3.42Å; L283-I286 PolarHBondContact O-N 2.8Å |
| 284 | N | 86.1 | Confident | 89.2 | Confident | 45 Ų | 45 | 52.6 Ų | 52.6 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -30.8 | 177.9 | -61.3 | 3.1 | 0 | 0 | 0 | 111.7 | Q139 Y171 D282 I286 S287 M288 | Q139-N284 WeakPolarHBondContact CG-OD1 3.35Å; Y171-N284 HydrophobicContact CD2-CB 4.02Å; Y171-N284 VanDerWaalsContact CD2-OD1 3.26Å; Y171-N284 WeakPolarHBondContact CD2-OD1 3.3Å; Y171-N284 HydrophobicContact CE2-CB 3.75Å; D282-N284 PolarHBondContact O-N 3.44Å; N284-I286 PolarHBondContact O-N 3.15Å; N284-S287 PolarHBondContact O-N 2.84Å; N284-M288 HydrophobicContact CB-CE 4.27Å; N284-M288 VanDerWaalsContact O-CG 3.28Å; N284-M288 WeakPolarHBondContact O-CG 3.46Å; N284-M288 PolarHBondContact O-N 2.82Å |
| 285 | E | 89.8 | Confident | 89.2 | Confident | 59 Ų | 59 | 56.7 Ų | 56.7 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.9 | -22.8 | 174.3 | -67.9 | -165.6 | 155 | 0 | 0 | 112.6 | M281 D282 L283 N289 K381 | M281-E285 HydrophobicContact CG-CB 4.14Å; D282-E285 HydrophobicContact CB-CG 4.25Å; D282-E285 VanDerWaalsContact O-CB 3.28Å; D282-E285 WeakPolarHBondContact O-CB 3.33Å; D282-E285 PolarHBondContact O-N 3.09Å; L283-E285 PolarHBondContact O-N 3.44Å; E285-N289 WeakPolarHBondContact O-CB 2.98Å; E285-N289 PolarHBondContact O-N 3.14Å; E285-N289 PolarHBondContact O-ND2 3.04Å; E285-K381 IonicContact OE1-NZ 2.67Å; E285-K381 WeakPolarHBondContact OE2-CE 3.29Å; E285-K381 IonicContact OE2-NZ 2.7Å; E285-K381 PolarHBondContact OE2-NZ 3.46Å |
| 286 | I | 91.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.7 | -52.5 | 177.2 | -58.4 | -179.3 | 0 | 0 | 0 | 109.2 | F173 L269 M281 L283 N284 L290 L299 M349 L399 | F173-I286 HydrophobicContact CE1-CB 4.26Å; F173-I286 HydrophobicContact CE1-CG2 4.23Å; F173-I286 HydrophobicContact CZ-CB 4.35Å; L269-I286 HydrophobicContact CD1-CD1 3.44Å; L269-I286 VanDerWaalsContact CD1-CD1 3.44Å; L269-I286 HydrophobicContact CG-CD1 4.37Å; M281-I286 HydrophobicContact CE-CG1 3.84Å; M281-I286 HydrophobicContact CG-CG1 4.47Å; M281-I286 HydrophobicContact SD-CD1 4.23Å; M281-I286 HydrophobicContact SD-CG1 3.71Å; L283-I286 HydrophobicContact CD2-CD1 3.93Å; L283-I286 WeakPolarHBondContact O-CB 3.44Å; L283-I286 WeakPolarHBondContact O-CG1 3.42Å; L283-I286 PolarHBondContact O-N 2.8Å; N284-I286 PolarHBondContact O-N 3.15Å; I286-L290 HydrophobicContact CG2-CD1 3.71Å; I286-L290 HydrophobicContact CG2-CG 4.48Å; I286-L290 WeakPolarHBondContact O-CB 3.36Å; I286-L290 WeakPolarHBondContact O-CG 3.38Å; I286-L290 PolarHBondContact O-N 2.9Å; I286-L299 HydrophobicContact CG2-CD1 3.75Å; I286-M349 HydrophobicContact CD1-SD 4.39Å; I286-L399 HydrophobicContact CD1-CD1 4.24Å; I286-L399 HydrophobicContact CG2-CD1 3.91Å |
| 287 | S | 90.1 | Very high | 90 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.4 | -48 | 177.4 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | D204 N284 N289 V291 | D204-S287 PolarHBondContact O-OG 3.34Å; N284-S287 PolarHBondContact O-N 2.84Å; S287-N289 PolarHBondContact O-N 2.88Å; S287-V291 VanDerWaalsContact O-CB 3.24Å; S287-V291 WeakPolarHBondContact O-CB 3.43Å; S287-V291 PolarHBondContact O-N 3.29Å |
| 288 | M | 90.9 | Very high | 90.6 | Very high | 120 Ų | 120 | 47.6 Ų | 47.6 | 59% | 0.591 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.7 | -37.6 | -178 | -68 | 176.6 | -175.3 | 0 | 0 | 114.4 | Y171 N284 | Y171-M288 HydrophobicContact CE2-CE 4.31Å; Y171-M288 WeakPolarHBondContact OH-CE 3.36Å; N284-M288 HydrophobicContact CB-CE 4.27Å; N284-M288 VanDerWaalsContact O-CG 3.28Å; N284-M288 WeakPolarHBondContact O-CG 3.46Å; N284-M288 PolarHBondContact O-N 2.82Å |
| 289 | N | 92.8 | Very high | 91.1 | Very high | 77 Ų | 77 | 44 Ų | 44 | 41% | 0.412 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -97.3 | -26.3 | -175.2 | -64.1 | -59.6 | 0 | 0 | 0 | 113.7 | E285 S287 | E285-N289 WeakPolarHBondContact O-CB 2.98Å; E285-N289 PolarHBondContact O-N 3.14Å; E285-N289 PolarHBondContact O-ND2 3.04Å; S287-N289 PolarHBondContact O-N 2.88Å |
| 290 | L | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -99.5 | -15.2 | -176.1 | -54.4 | -178.7 | 0 | 0 | 0 | 113.7 | I286 P292 L299 A345 A347 L399 N401 | I286-L290 HydrophobicContact CG2-CD1 3.71Å; I286-L290 HydrophobicContact CG2-CG 4.48Å; I286-L290 WeakPolarHBondContact O-CB 3.36Å; I286-L290 WeakPolarHBondContact O-CG 3.38Å; I286-L290 PolarHBondContact O-N 2.9Å; L290-P292 WeakPolarHBondContact O-CD 3.47Å; L290-L299 HydrophobicContact CB-CD1 4.2Å; L290-L299 HydrophobicContact CB-CD2 3.89Å; L290-L299 HydrophobicContact CD1-CD1 3.77Å; L290-L299 HydrophobicContact CD1-CD2 4.48Å; L290-A345 HydrophobicContact CB-CB 4.33Å; L290-A345 HydrophobicContact CD2-CB 3.68Å; L290-A347 HydrophobicContact CD1-CB 3.61Å; L290-A347 HydrophobicContact CD2-CB 4Å; L290-A347 HydrophobicContact CG-CB 4.3Å; L290-L399 HydrophobicContact CD1-CB 3.94Å; L290-L399 HydrophobicContact CD1-CD1 4.42Å; L290-N401 VanDerWaalsContact O-CB 3.25Å; L290-N401 WeakPolarHBondContact O-CB 3.48Å; L290-N401 PolarHBondContact O-ND2 3.04Å |
| 291 | V | 94.6 | Very high | 92.2 | Very high | 20 Ų | 20 | 36.9 Ų | 36.9 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | trans | -111.6 | 86.4 | -178.6 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | S287 F293 H297 | S287-V291 VanDerWaalsContact O-CB 3.24Å; S287-V291 WeakPolarHBondContact O-CB 3.43Å; S287-V291 PolarHBondContact O-N 3.29Å; V291-F293 VanDerWaalsContact C-N 3.31Å; V291-F293 WeakPolarHBondContact CG1-O 3.4Å; V291-H297 HydrophobicContact CB-CB 4.46Å; V291-H297 HydrophobicContact CG1-CB 3.63Å; V291-H297 HydrophobicContact CG2-CB 3.94Å | ||
| 292 | P | 91.8 | Very high | 92.6 | Very high | 51 Ų | 51 | 36.8 Ų | 36.8 | 33% | 0.331 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -72.8 | -25.3 | 179.7 | 29.5 | -35.8 | 0 | 0 | 0 | 112.9 | L290 L344 W375 | L290-P292 WeakPolarHBondContact O-CD 3.47Å; P292-L344 HydrophobicContact CG-CB 4.14Å; P292-L344 HydrophobicContact CG-CD2 3.85Å; P292-L344 HydrophobicContact CG-CG 4.41Å; P292-W375 HydrophobicContact CB-CH2 3.66Å; P292-W375 HydrophobicContact CB-CZ3 4.18Å; P292-W375 HydrophobicContact CG-CH2 3.81Å |
| 293 | F | 93.6 | Very high | 92.9 | Very high | 90 Ų | 90 | 33.1 Ų | 33.1 | 40% | 0.395 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -126.5 | 129.9 | 178.5 | -59.2 | -74.8 | 0 | 0 | 0 | 108.9 | V291 Q295 L296 L344 W375 | V291-F293 VanDerWaalsContact C-N 3.31Å; V291-F293 WeakPolarHBondContact CG1-O 3.4Å; F293-Q295 PolarHBondContact O-N 2.76Å; F293-Q295 VanDerWaalsContact O-N 3.11Å; F293-L296 HydrophobicContact CB-CB 4.21Å; F293-L296 HydrophobicContact CB-CD1 4.16Å; F293-L296 HydrophobicContact CB-CG 4.03Å; F293-L296 HydrophobicContact CD2-CD1 3.85Å; F293-L296 HydrophobicContact CG-CD1 4.34Å; F293-L296 PolarHBondContact O-N 2.77Å; F293-L344 HydrophobicContact CD2-CD2 4.5Å; F293-W375 HydrophobicContact CE2-CH2 4.3Å; F293-W375 AromaticContact CE2-CZ2 3.88Å; F293-W375 HydrophobicContact CE2-CZ2 3.88Å; F293-W375 HydrophobicContact CZ-CZ2 4.37Å |
| 294 | P | 89.8 | Confident | 93.1 | Very high | 113 Ų | 113 | 33.1 Ų | 33.1 | 73% | 0.734 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -34.3 | -174.2 | -29.3 | 35.2 | 0 | 0 | 0 | 114.7 | H297 | P294-H297 PolarHBondContact O-ND1 3.03Š|
| 295 | Q | 90.6 | Very high | 93 | Very high | 94 Ų | 94 | 32.1 Ų | 32.1 | 44% | 0.439 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -19.6 | 179.4 | -61.3 | -174.1 | 31.1 | 0 | 0 | 113.4 | F293 H297 L450 E453 | F293-Q295 PolarHBondContact O-N 2.76Å; F293-Q295 VanDerWaalsContact O-N 3.11Å; Q295-H297 PolarHBondContact O-N 2.58Å; Q295-L450 VanDerWaalsContact O-CD1 3.26Å; Q295-L450 WeakPolarHBondContact O-CD1 3.43Å; Q295-E453 PolarHBondContact OE1-OE1 3.33Å |
| 296 | L | 95.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | trans | -99.6 | 53.7 | -176.4 | -53.5 | -173.2 | 0 | 0 | 0 | 110.6 | F293 L344 N401 L450 E453 Y454 L457 | F293-L296 HydrophobicContact CB-CB 4.21Å; F293-L296 HydrophobicContact CB-CD1 4.16Å; F293-L296 HydrophobicContact CB-CG 4.03Å; F293-L296 HydrophobicContact CD2-CD1 3.85Å; F293-L296 HydrophobicContact CG-CD1 4.34Å; F293-L296 PolarHBondContact O-N 2.77Å; L296-L344 HydrophobicContact CB-CD2 4.41Å; L296-L344 HydrophobicContact CD1-CD2 3.96Å; L296-N401 PolarHBondContact O-ND2 3.45Å; L296-L450 HydrophobicContact CD2-CD1 3.63Å; L296-E453 HydrophobicContact CD2-CB 4.04Å; L296-E453 WeakPolarHBondContact CD2-OE2 3.48Å; L296-Y454 HydrophobicContact CB-CE1 4.38Å; L296-Y454 HydrophobicContact CD1-CE1 4.46Å; L296-Y454 HydrophobicContact CD2-CD1 4.33Å; L296-Y454 HydrophobicContact CD2-CD2 4.03Å; L296-Y454 HydrophobicContact CD2-CE1 4.03Å; L296-Y454 HydrophobicContact CD2-CE2 3.69Å; L296-Y454 HydrophobicContact CD2-CG 4.34Å; L296-L457 HydrophobicContact CD1-CD1 3.36Å | ||
| 297 | H | 96.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | trans | -101 | 17.5 | -173.3 | 60.8 | -111 | 0 | 0 | 0 | 114.4 | L199 A203 D204 V206 V291 P294 Q295 | L199-H297 PolarHBondContact O-CE1 3.29Å; L199-H297 PolarHBondContact O-NE2 3.35Å; A203-H297 PolarHBondContact O-CE1 2.9Å; D204-H297 WeakPolarHBondContact O-CB 3.24Å; V206-H297 VanDerWaalsContact CG2-CD2 3.49Å; V206-H297 WeakPolarHBondContact CG2-CD2 3.47Å; V206-H297 PolarHBondContact N-O 3.18Å; V291-H297 HydrophobicContact CB-CB 4.46Å; V291-H297 HydrophobicContact CG1-CB 3.63Å; V291-H297 HydrophobicContact CG2-CB 3.94Å; P294-H297 PolarHBondContact O-ND1 3.03Å; Q295-H297 PolarHBondContact O-N 2.58Å | ||
| 298 | Y | 97.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -88 | 110.8 | 177.7 | -67.2 | -88.8 | 0 | 0 | 0 | 111.1 | M196 N200 V206 P208 F409 L450 | M196-Y298 HydrophobicContact CE-CE1 4.13Å; M196-Y298 HydrophobicContact CE-CE2 4.19Å; M196-Y298 WeakPolarHBondContact CG-OH 3.32Å; N200-Y298 VanDerWaalsContact OD1-CE2 3.29Å; N200-Y298 WeakPolarHBondContact OD1-CE2 3.25Å; N200-Y298 PolarHBondContact OD1-OH 3.28Å; V206-Y298 HydrophobicContact CB-CD1 3.7Å; V206-Y298 HydrophobicContact CB-CE1 3.78Å; V206-Y298 HydrophobicContact CB-CG 4.45Å; V206-Y298 HydrophobicContact CG1-CD1 3.68Å; V206-Y298 HydrophobicContact CG1-CE1 3.61Å; V206-Y298 HydrophobicContact CG2-CD1 4.49Å; V206-Y298 HydrophobicContact CG2-CE1 4.13Å; V206-Y298 WeakPolarHBondContact O-CA 3.38Å; P208-Y298 HydrophobicContact CG-CD1 4.44Å; Y298-F409 HydrophobicContact CD1-CE1 4.47Å; Y298-F409 AromaticContact CD1-CZ 3.75Å; Y298-F409 HydrophobicContact CD1-CZ 3.75Å; Y298-F409 HydrophobicContact CD2-CE2 4.21Å; Y298-F409 HydrophobicContact CD2-CZ 4.01Å; Y298-F409 HydrophobicContact CE1-CZ 4.06Å; Y298-F409 HydrophobicContact CE2-CZ 4.3Å; Y298-F409 HydrophobicContact CG-CE2 4.31Å; Y298-F409 AromaticContact CG-CZ 3.73Å; Y298-F409 HydrophobicContact CG-CZ 3.73Å; Y298-L450 HydrophobicContact CD2-CD2 4.2Å; Y298-L450 HydrophobicContact CE2-CD2 3.62Å |
| 299 | L | 97.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 110.6 | -178.7 | -52.8 | -176.4 | 0 | 0 | 0 | 111.2 | C205 V206 L207 P208 I286 L290 S301 L399 N401 | C205-L299 WeakPolarHBondContact SG-CD1 3.39Å; V206-L299 PolarHBondContact O-N 3.42Å; L207-L299 HydrophobicContact CD2-CB 3.93Å; L207-L299 HydrophobicContact CD2-CD1 4.45Å; P208-L299 WeakPolarHBondContact CD-O 3.33Å; I286-L299 HydrophobicContact CG2-CD1 3.75Å; L290-L299 HydrophobicContact CB-CD1 4.2Å; L290-L299 HydrophobicContact CB-CD2 3.89Å; L290-L299 HydrophobicContact CD1-CD1 3.77Å; L290-L299 HydrophobicContact CD1-CD2 4.48Å; L299-S301 PolarHBondContact O-N 3.15Å; L299-L399 HydrophobicContact CB-CB 4.5Å; L299-L399 HydrophobicContact CD1-CB 4.41Å; L299-N401 HydrophobicContact CD2-CB 3.62Å |
| 300 | V | 96.8 | Very high | 85.4 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 124.5 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 109 | L334 A400 V405 | V300-L334 HydrophobicContact CG1-CB 4.19Å; V300-L334 HydrophobicContact CG2-CD2 3.96Å; V300-A400 PolarHBondContact N-O 3.15Å; V300-A400 PolarHBondContact O-N 3.48Å; V300-V405 HydrophobicContact CG2-CG1 3.28Å |
| 301 | S | 96.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 141.2 | -177.1 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | L299 L333 A398 L399 | L299-S301 PolarHBondContact O-N 3.15Å; S301-L333 WeakPolarHBondContact O-CB 3.26Å; S301-L333 WeakPolarHBondContact O-CG 3.29Å; S301-L333 PolarHBondContact O-N 3.43Å; S301-A398 WeakPolarHBondContact CA-O 3.37Å; S301-L399 VanDerWaalsContact OG-CD2 3.29Å; S301-L399 WeakPolarHBondContact OG-CD2 3.21Å |
| 302 | S | 95.8 | Very high | 80.9 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.3 | 168.7 | 75.4 | 0 | 0 | 0 | 0 | 111.2 | A326 H331 L397 A398 | S302-A326 WeakPolarHBondContact CB-O 3.48Å; S302-A326 PolarHBondContact OG-O 3.06Å; S302-H331 VanDerWaalsContact CA-O 3.29Å; S302-H331 WeakPolarHBondContact CA-O 3.37Å; S302-H331 VanDerWaalsContact CB-O 3.26Å; S302-H331 WeakPolarHBondContact CB-O 3.46Å; S302-L397 WeakPolarHBondContact O-CA 3.43Å; S302-L397 VanDerWaalsContact O-CD1 3.25Å; S302-L397 WeakPolarHBondContact O-CD1 3.3Å; S302-A398 PolarHBondContact N-O 2.9Å; S302-A398 PolarHBondContact O-N 3.3Å; S302-A398 VanDerWaalsContact O-N 3.08Å; S302-A398 WeakPolarHBondContact OG-CB 3.33Å |
| 303 | L | 92.2 | Very high | 78.7 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 131.3 | -178.4 | -171.6 | 68.7 | 0 | 0 | 0 | 110.2 | V240 I261 N264 L306 H331 | V240-L303 HydrophobicContact CG1-CD2 3.99Å; V240-L303 HydrophobicContact CG2-CD2 4.38Å; I261-L303 HydrophobicContact CG2-CD2 4.47Å; N264-L303 HydrophobicContact CB-CD2 4.04Å; L303-L306 HydrophobicContact CB-CD2 4.2Å; L303-L306 HydrophobicContact CD2-CD2 4.45Å; L303-H331 PolarHBondContact N-O 3.14Å |
| 304 | T | 90.2 | Very high | 76.7 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 143.4 | 176.2 | -47.8 | 0 | 0 | 0 | 0 | 110.5 | M322 D325 S395 L396 | T304-M322 HydrophobicContact CG2-CB 4.15Å; T304-M322 HydrophobicContact CG2-CG 3.55Å; T304-D325 HydrophobicContact CG2-CB 3.76Å; T304-S395 CarbonylContact O-C 3.59Å; T304-S395 VanDerWaalsContact O-CA 3.31Å; T304-S395 WeakPolarHBondContact O-CA 3.15Å; T304-L396 PolarHBondContact N-O 3.39Å; T304-L396 PolarHBondContact O-N 3.2Å |
| 305 | P | 83.1 | Confident | 75.3 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 16% | 0.156 | 21% | 0.205 | C | C | . | . | cis | -72.5 | 149.9 | -12.6 | 34.3 | -36.2 | 0 | 0 | 0 | 111.6 | Y307 H394 | P305-Y307 VanDerWaalsContact C-N 3.3Å; P305-Y307 WeakPolarHBondContact CB-O 3.4Å; P305-H394 WeakPolarHBondContact CD-O 3.36Å | ||
| 306 | L | 74.9 | Confident | 73.7 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -79.5 | -16.4 | 172.7 | -67.2 | 168.4 | 0 | 0 | 0 | 112.4 | I217 I221 V240 L303 H331 | I217-L306 HydrophobicContact CB-CD1 4.49Å; I217-L306 HydrophobicContact CD1-CD1 4.33Å; I217-L306 HydrophobicContact CG1-CD1 4.11Å; I217-L306 HydrophobicContact CG2-CD1 3.68Å; I217-L306 HydrophobicContact CG2-CD2 4.12Å; I217-L306 HydrophobicContact CG2-CG 4.38Å; I221-L306 HydrophobicContact CD1-CB 4.17Å; V240-L306 WeakPolarHBondContact CG2-O 3.42Å; V240-L306 PolarHBondContact N-O 3.31Å; L303-L306 HydrophobicContact CB-CD2 4.2Å; L303-L306 HydrophobicContact CD2-CD2 4.45Å; L306-H331 WeakPolarHBondContact CD1-CD2 3.3Å |
| 307 | Y | 66.3 | Low | 72.4 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 147.5 | 179.1 | 54.2 | -87.9 | 0 | 0 | 0 | 110.3 | I221 M224 V234 P305 L309 | I221-Y307 HydrophobicContact CG1-CD1 4.03Å; M224-Y307 HydrophobicContact SD-CE1 3.88Å; M224-Y307 HydrophobicContact SD-CE2 4.17Å; M224-Y307 PolarHBondContact SD-OH 3.28Å; V234-Y307 HydrophobicContact CG2-CD2 4.47Å; P305-Y307 VanDerWaalsContact C-N 3.3Å; P305-Y307 WeakPolarHBondContact CB-O 3.4Å; Y307-L309 HydrophobicContact CD2-CD2 4.09Å; Y307-L309 HydrophobicContact CD2-CG 4.39Å; Y307-L309 HydrophobicContact CE2-CD2 4.04Å; Y307-L309 HydrophobicContact CE2-CG 4.27Å |
| 308 | T | 56.4 | Low | 71.3 | Confident | 19 Ų | 19 | 50.9 Ų | 50.9 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.6 | 172.6 | -15.9 | 0 | 0 | 0 | 0 | 112.3 | K235 S238 G391 H392 | K235-T308 PolarHBondContact N-O 3.43Å; S238-T308 WeakPolarHBondContact CB-OG1 3.39Å; S238-T308 PolarHBondContact O-N 3.11Å; S238-T308 PolarHBondContact O-OG1 2.66Å; S238-T308 VanDerWaalsContact O-OG1 3.08Å; S238-T308 VanDerWaalsContact OG-CB 3.26Å; S238-T308 WeakPolarHBondContact OG-CB 3.48Å; S238-T308 PolarHBondContact OG-OG1 3.31Å; T308-G391 PolarHBondContact OG1-O 3.4Å; T308-H392 PolarHBondContact OG1-CD2 3.18Å; T308-H392 PolarHBondContact OG1-NE2 2.86Å |
| 309 | L | 52.8 | Low | 70.7 | Confident | 50 Ų | 50 | 51.8 Ų | 51.8 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 154.3 | 171.9 | -61.4 | 178.5 | 0 | 0 | 0 | 111 | T232 V234 Y307 D311 | T232-L309 HydrophobicContact CG2-CD2 4.45Å; V234-L309 HydrophobicContact CG2-CD2 4.06Å; Y307-L309 HydrophobicContact CD2-CD2 4.09Å; Y307-L309 HydrophobicContact CD2-CG 4.39Å; Y307-L309 HydrophobicContact CE2-CD2 4.04Å; Y307-L309 HydrophobicContact CE2-CG 4.27Å; L309-D311 PolarHBondContact O-N 3.42Å; L309-D311 VanDerWaalsContact O-N 3.13Å |
| 310 | T | 45.2 | Very low | 70.3 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 28% | 0.282 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -58.4 | -24 | -173.9 | 35.2 | 0 | 0 | 0 | 0 | 116.2 | T233 K235 V312 | T233-T310 HydrophobicContact CG2-CG2 4.03Å; T233-T310 WeakPolarHBondContact O-CB 3.43Å; T233-T310 WeakPolarHBondContact O-CG2 3.4Å; T233-T310 PolarHBondContact O-N 3.13Å; T233-T310 PolarHBondContact O-OG1 3.45Å; K235-T310 HydrophobicContact CG-CG2 3.66Å; T310-V312 PolarHBondContact O-N 3.39Å |
| 311 | D | 48.6 | Very low | 69.8 | Low | 89 Ų | 89 | 58.2 Ų | 58.2 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | trans | -73.3 | 112.1 | -173.8 | -86.2 | -23.6 | 0 | 0 | 0 | 113.1 | L309 R318 | L309-D311 PolarHBondContact O-N 3.42Å; L309-D311 VanDerWaalsContact O-N 3.13Å; D311-R318 PolarHBondContact O-NH1 2.89Å; D311-R318 IonicContact OD2-NH2 2.76Å; D311-R318 PolarHBondContact OD2-NH2 3.1Å | ||
| 312 | V | 46.8 | Very low | 69.5 | Low | 114 Ų | 114 | 58.5 Ų | 58.5 | 69% | 0.691 | 30% | 0.299 | S | S | * | . | trans | -76.4 | -18.6 | -175.4 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | T310 | T310-V312 PolarHBondContact O-N 3.39Š| ||
| 313 | N | 45 | Very low | 69.4 | Low | 146 Ų | 146 | 58.4 Ų | 58.4 | 78% | 0.781 | 30% | 0.299 | S | S | * | . | trans | -99.1 | 108 | 173.9 | -77.5 | -15 | 0 | 0 | 0 | 110.2 | P315 | N313-P315 VanDerWaalsContact O-CD 3.28Å; N313-P315 WeakPolarHBondContact O-CD 3.42Å | ||
| 314 | I | 52.9 | Low | 69.4 | Low | 61 Ų | 61 | 59.9 Ų | 59.9 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | trans | -101.2 | 105.3 | -176 | -61.3 | -170.5 | 0 | 0 | 0 | 107.4 | R318 H394 | I314-R318 HydrophobicContact CG2-CB 3.37Å; I314-R318 HydrophobicContact CG2-CG 4.15Å; I314-H394 WeakPolarHBondContact CD1-CE1 3.49Å | ||
| 315 | P | 58.5 | Low | 69.5 | Low | 69 Ų | 69 | 61.7 Ų | 61.7 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | trans | -62.1 | 152.9 | 171.5 | 23.6 | -30.7 | 0 | 0 | 0 | 109.9 | N313 R317 R318 | N313-P315 VanDerWaalsContact O-CD 3.28Å; N313-P315 WeakPolarHBondContact O-CD 3.42Å; P315-R317 PolarHBondContact O-N 3.29Å; P315-R318 HydrophobicContact CG-CG 4.49Å; P315-R318 PolarHBondContact O-N 2.87Å | ||
| 316 | P | 58.6 | Low | 70 | Confident | 88 Ų | 88 | 60.6 Ų | 60.6 | 57% | 0.571 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -47.9 | -32 | 179.7 | -28.1 | 33.1 | 0 | 0 | 0 | 114 | R318 L319 D320 | P316-R318 PolarHBondContact O-N 3.29Å; P316-L319 WeakPolarHBondContact O-CB 3.37Å; P316-L319 PolarHBondContact O-N 3.5Å; P316-D320 PolarHBondContact O-N 3.26Å; P316-D320 VanDerWaalsContact O-N 3.15Å |
| 317 | R | 66.9 | Low | 70.9 | Confident | 209 Ų | 209 | 60.6 Ų | 60.6 | 79% | 0.789 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -56.2 | -29.6 | 176.5 | -168.2 | 174.4 | -179.3 | 167.1 | 1.3 | 114.4 | P315 Q321 | P315-R317 PolarHBondContact O-N 3.29Å; R317-Q321 PolarHBondContact O-N 3.2Å |
| 318 | R | 74.6 | Confident | 72.1 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -76.8 | -33.6 | 176.8 | -80.2 | -172.8 | -177.7 | 175.7 | 5.3 | 112.1 | D311 I314 P315 P316 Q321 M322 | D311-R318 PolarHBondContact O-NH1 2.89Å; D311-R318 IonicContact OD2-NH2 2.76Å; D311-R318 PolarHBondContact OD2-NH2 3.1Å; I314-R318 HydrophobicContact CG2-CB 3.37Å; I314-R318 HydrophobicContact CG2-CG 4.15Å; P315-R318 HydrophobicContact CG-CG 4.49Å; P315-R318 PolarHBondContact O-N 2.87Å; P316-R318 PolarHBondContact O-N 3.29Å; R318-Q321 WeakPolarHBondContact O-CB 3.25Å; R318-Q321 PolarHBondContact O-N 2.92Å; R318-M322 PolarHBondContact O-N 2.89Å |
| 319 | L | 84.1 | Confident | 73.8 | Confident | 19 Ų | 19 | 64.3 Ų | 64.3 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63 | -47 | 170.9 | -170.4 | 88.8 | 0 | 0 | 0 | 109.4 | P316 Q321 M322 F323 V354 D358 | P316-L319 WeakPolarHBondContact O-CB 3.37Å; P316-L319 PolarHBondContact O-N 3.5Å; L319-Q321 PolarHBondContact O-N 3.22Å; L319-M322 HydrophobicContact CD1-CE 3.78Å; L319-M322 HydrophobicContact CG-CE 4.4Å; L319-M322 WeakPolarHBondContact O-CB 3.35Å; L319-M322 PolarHBondContact O-N 3.11Å; L319-F323 HydrophobicContact CD1-CE2 4.4Å; L319-F323 HydrophobicContact CD2-CE2 4.19Å; L319-F323 HydrophobicContact CG-CD2 4.24Å; L319-F323 HydrophobicContact CG-CE2 3.99Å; L319-F323 WeakPolarHBondContact O-CD2 3.47Å; L319-F323 PolarHBondContact O-N 2.66Å; L319-F323 VanDerWaalsContact O-N 3.14Å; L319-V354 HydrophobicContact CD1-CG1 4.08Å; L319-V354 HydrophobicContact CD1-CG2 3.68Å; L319-V354 HydrophobicContact CD2-CG1 4.01Å; L319-D358 HydrophobicContact CD2-CB 3.54Å |
| 320 | D | 88.9 | Confident | 75.5 | Confident | 36 Ų | 36 | 66 Ų | 66 | 19% | 0.193 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.6 | -34.6 | 177.7 | -57.1 | -21.1 | 0 | 0 | 0 | 112.1 | P316 F323 S324 R361 N362 R365 | P316-D320 PolarHBondContact O-N 3.26Å; P316-D320 VanDerWaalsContact O-N 3.15Å; D320-F323 PolarHBondContact O-N 3.2Å; D320-S324 PolarHBondContact O-N 2.67Å; D320-S324 VanDerWaalsContact O-N 3.11Å; D320-S324 PolarHBondContact O-OG 3.34Å; D320-R361 IonicContact OD1-CZ 3.34Å; D320-R361 IonicContact OD1-NE 3.24Å; D320-R361 IonicContact OD1-NH2 3.03Å; D320-R361 PolarHBondContact OD1-NH2 2.96Å; D320-R361 IonicContact OD2-NH2 2.66Å; D320-N362 VanDerWaalsContact CA-OD1 3.3Å; D320-N362 WeakPolarHBondContact CA-OD1 3.49Å; D320-N362 PolarHBondContact OD1-ND2 3.07Å; D320-N362 PolarHBondContact OD1-OD1 3.36Å; D320-R365 PolarHBondContact O-NH2 3.48Å |
| 321 | Q | 88 | Confident | 77.7 | Confident | 100 Ų | 100 | 64.4 Ų | 64.4 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 172.5 | -171.2 | 61.4 | 48.3 | 0 | 0 | 111.5 | R317 R318 L319 F323 S324 D325 | R317-Q321 PolarHBondContact O-N 3.2Å; R318-Q321 WeakPolarHBondContact O-CB 3.25Å; R318-Q321 PolarHBondContact O-N 2.92Å; L319-Q321 PolarHBondContact O-N 3.22Å; Q321-F323 VanDerWaalsContact C-N 3.31Å; Q321-F323 PolarHBondContact O-N 2.7Å; Q321-S324 CarbonylContact O-C 3.55Å; Q321-S324 WeakPolarHBondContact O-CA 3.48Å; Q321-S324 WeakPolarHBondContact O-CB 3.34Å; Q321-S324 PolarHBondContact O-N 2.84Å; Q321-D325 PolarHBondContact NE2-OD1 2.7Å; Q321-D325 WeakPolarHBondContact O-CB 3.17Å; Q321-D325 VanDerWaalsContact O-CG 3.26Å; Q321-D325 PolarHBondContact O-N 3.03Å |
| 322 | M | 89.7 | Confident | 79.9 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.1 | -45.2 | 176.5 | 177.5 | -173.8 | 69.7 | 0 | 0 | 112 | T304 R318 L319 S324 D325 A326 H394 L396 | T304-M322 HydrophobicContact CG2-CB 4.15Å; T304-M322 HydrophobicContact CG2-CG 3.55Å; R318-M322 PolarHBondContact O-N 2.89Å; L319-M322 HydrophobicContact CD1-CE 3.78Å; L319-M322 HydrophobicContact CG-CE 4.4Å; L319-M322 WeakPolarHBondContact O-CB 3.35Å; L319-M322 PolarHBondContact O-N 3.11Å; M322-S324 VanDerWaalsContact C-N 3.31Å; M322-S324 PolarHBondContact O-N 2.85Å; M322-D325 PolarHBondContact O-N 2.69Å; M322-A326 PolarHBondContact O-N 3.15Å; M322-H394 PolarHBondContact SD-CD2 2.88Å; M322-L396 HydrophobicContact CE-CB 3.71Å; M322-L396 HydrophobicContact CE-CD2 4.38Å; M322-L396 HydrophobicContact CG-CB 3.99Å; M322-L396 HydrophobicContact CG-CD2 4.36Å; M322-L396 HydrophobicContact SD-CB 3.68Å |
| 323 | F | 93.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -36.2 | 176 | -82.7 | -93.4 | 0 | 0 | 0 | 112.2 | L319 D320 Q321 F327 L348 V350 V359 N362 L366 L396 | L319-F323 HydrophobicContact CD1-CE2 4.4Å; L319-F323 HydrophobicContact CD2-CE2 4.19Å; L319-F323 HydrophobicContact CG-CD2 4.24Å; L319-F323 HydrophobicContact CG-CE2 3.99Å; L319-F323 WeakPolarHBondContact O-CD2 3.47Å; L319-F323 PolarHBondContact O-N 2.66Å; L319-F323 VanDerWaalsContact O-N 3.14Å; D320-F323 PolarHBondContact O-N 3.2Å; Q321-F323 VanDerWaalsContact C-N 3.31Å; Q321-F323 PolarHBondContact O-N 2.7Å; F323-F327 WeakPolarHBondContact O-CD2 3.46Å; F323-L348 HydrophobicContact CD1-CD1 4.04Å; F323-L348 HydrophobicContact CE1-CD1 3.82Å; F323-V350 HydrophobicContact CE1-CG2 4.29Å; F323-V350 HydrophobicContact CZ-CG2 3.8Å; F323-V359 HydrophobicContact CE1-CG1 4.27Å; F323-V359 HydrophobicContact CZ-CB 4.41Å; F323-V359 HydrophobicContact CZ-CG1 4.25Å; F323-V359 HydrophobicContact CZ-CG2 4.2Å; F323-N362 HydrophobicContact CB-CB 4Å; F323-N362 HydrophobicContact CD1-CB 3.7Å; F323-N362 HydrophobicContact CD2-CB 3.85Å; F323-N362 HydrophobicContact CE1-CB 4.08Å; F323-N362 HydrophobicContact CE2-CB 4.24Å; F323-N362 HydrophobicContact CG-CB 3.57Å; F323-N362 HydrophobicContact CZ-CB 4.35Å; F323-L366 HydrophobicContact CB-CD1 4.04Å; F323-L366 HydrophobicContact CD1-CD1 4.43Å; F323-L396 HydrophobicContact CB-CD2 4.46Å; F323-L396 HydrophobicContact CD1-CD2 3.8Å; F323-L396 HydrophobicContact CD2-CD2 4.42Å; F323-L396 HydrophobicContact CE1-CD1 4.42Å; F323-L396 HydrophobicContact CE1-CD2 4.11Å; F323-L396 HydrophobicContact CG-CD2 3.97Å |
| 324 | S | 93.2 | Very high | 84.6 | Confident | 33 Ų | 33 | 48 Ų | 48 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.3 | -38.1 | 177 | -49.3 | 0 | 0 | 0 | 0 | 112.1 | D320 Q321 M322 F327 R365 | D320-S324 PolarHBondContact O-N 2.67Å; D320-S324 VanDerWaalsContact O-N 3.11Å; D320-S324 PolarHBondContact O-OG 3.34Å; Q321-S324 CarbonylContact O-C 3.55Å; Q321-S324 WeakPolarHBondContact O-CA 3.48Å; Q321-S324 WeakPolarHBondContact O-CB 3.34Å; Q321-S324 PolarHBondContact O-N 2.84Å; M322-S324 VanDerWaalsContact C-N 3.31Å; M322-S324 PolarHBondContact O-N 2.85Å; S324-F327 PolarHBondContact O-N 2.98Å; S324-R365 PolarHBondContact OG-NH1 3.07Å; S324-R365 PolarHBondContact OG-NH2 3.43Å |
| 325 | D | 91.8 | Very high | 86.3 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 22% | 0.219 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -39.2 | 179.3 | -78.1 | -12.7 | 0 | 0 | 0 | 111.5 | T304 Q321 M322 F327 S328 H331 | T304-D325 HydrophobicContact CG2-CB 3.76Å; Q321-D325 PolarHBondContact NE2-OD1 2.7Å; Q321-D325 WeakPolarHBondContact O-CB 3.17Å; Q321-D325 VanDerWaalsContact O-CG 3.26Å; Q321-D325 PolarHBondContact O-N 3.03Å; M322-D325 PolarHBondContact O-N 2.69Å; D325-F327 PolarHBondContact O-N 3.19Å; D325-S328 WeakPolarHBondContact O-CB 3.36Å; D325-S328 PolarHBondContact O-N 2.88Å; D325-S328 PolarHBondContact O-OG 3.4Å; D325-H331 WeakPolarHBondContact CB-CE1 2.97Å; D325-H331 WeakPolarHBondContact O-CB 3.26Å; D325-H331 PolarHBondContact O-ND1 2.81Å; D325-H331 IonicContact OD1-CE1 2.96Å |
| 326 | A | 93.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S302 M322 Q332 L396 A398 | S302-A326 WeakPolarHBondContact CB-O 3.48Å; S302-A326 PolarHBondContact OG-O 3.06Å; M322-A326 PolarHBondContact O-N 3.15Å; A326-Q332 PolarHBondContact O-NE2 3.03Å; A326-L396 HydrophobicContact CB-CD2 3.62Å; A326-L396 HydrophobicContact CB-CG 4.24Å; A326-A398 HydrophobicContact CB-CB 4.28Å |
| 327 | F | 93.9 | Very high | 89.2 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 4.5 | 176.6 | -64.6 | -74.1 | 0 | 0 | 0 | 113.5 | F323 S324 D325 Y343 L348 L366 L370 W380 | F323-F327 WeakPolarHBondContact O-CD2 3.46Å; S324-F327 PolarHBondContact O-N 2.98Å; D325-F327 PolarHBondContact O-N 3.19Å; F327-Y343 HydrophobicContact CD1-CE1 4.18Å; F327-Y343 AromaticContact CD1-CZ 4Å; F327-Y343 WeakPolarHBondContact CD1-OH 3.49Å; F327-Y343 AromaticContact CE1-CE1 3.96Å; F327-Y343 HydrophobicContact CE1-CE1 3.96Å; F327-L348 HydrophobicContact CE2-CD2 4.09Å; F327-L348 HydrophobicContact CZ-CD2 3.78Å; F327-L366 HydrophobicContact CD2-CD1 3.75Å; F327-L366 HydrophobicContact CD2-CD2 4.27Å; F327-L366 HydrophobicContact CE2-CD1 3.49Å; F327-L366 VanDerWaalsContact CE2-CD1 3.49Å; F327-L370 HydrophobicContact CB-CD2 4.35Å; F327-L370 HydrophobicContact CD1-CD1 3.91Å; F327-L370 HydrophobicContact CD1-CD2 4.34Å; F327-L370 HydrophobicContact CD2-CD1 4.15Å; F327-L370 HydrophobicContact CE1-CD1 3.87Å; F327-L370 HydrophobicContact CE2-CD1 4.17Å; F327-L370 HydrophobicContact CG-CD1 4.02Å; F327-L370 HydrophobicContact CG-CD2 4.34Å; F327-L370 HydrophobicContact CZ-CD1 4Å; F327-W380 HydrophobicContact CE1-CH2 4.46Å; F327-W380 HydrophobicContact CE2-CH2 4.31Å; F327-W380 HydrophobicContact CE2-CZ3 4.4Å; F327-W380 AromaticContact CZ-CH2 3.79Å; F327-W380 HydrophobicContact CZ-CH2 3.79Å; F327-W380 AromaticContact CZ-CZ3 3.72Å; F327-W380 HydrophobicContact CZ-CZ3 3.72Å |
| 328 | S | 92 | Very high | 90.3 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 25% | 0.245 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -84.6 | 149 | 174 | 91.5 | 0 | 0 | 0 | 0 | 110.6 | D325 D330 H331 Q332 | D325-S328 WeakPolarHBondContact O-CB 3.36Å; D325-S328 PolarHBondContact O-N 2.88Å; D325-S328 PolarHBondContact O-OG 3.4Å; S328-D330 PolarHBondContact O-N 2.91Å; S328-H331 PolarHBondContact O-N 2.97Å; S328-H331 PolarHBondContact OG-ND1 3.18Å; S328-Q332 WeakPolarHBondContact O-CG 3.3Å; S328-Q332 PolarHBondContact O-NE2 3.34Å |
| 329 | K | 91.2 | Very high | 90.9 | Very high | 120 Ų | 120 | 35.8 Ų | 35.8 | 52% | 0.522 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -53.6 | -35.7 | 176.5 | -177.1 | -178 | 175.7 | -174.1 | 0 | 112.4 | H331 Q332 | K329-H331 PolarHBondContact O-N 3.34Å; K329-Q332 PolarHBondContact O-N 3.1Å |
| 330 | D | 88.4 | Confident | 91 | Very high | 84 Ų | 84 | 40.8 Ų | 40.8 | 45% | 0.449 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -71.9 | -12.2 | -173.8 | -64.7 | -8.1 | 0 | 0 | 0 | 114.3 | K220 S328 | K220-D330 VanDerWaalsContact NZ-CG 3.33Å; K220-D330 IonicContact NZ-OD2 3.76Å; K220-D330 PolarHBondContact NZ-OD2 3.41Å; S328-D330 PolarHBondContact O-N 2.91Å |
| 331 | H | 91.2 | Very high | 91.2 | Very high | 13 Ų | 13 | 40 Ų | 40 | 6% | 0.06 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -110.7 | 0.5 | 177.9 | -62.1 | 98.3 | 0 | 0 | 0 | 113 | S302 L303 L306 D325 S328 K329 | S302-H331 VanDerWaalsContact CA-O 3.29Å; S302-H331 WeakPolarHBondContact CA-O 3.37Å; S302-H331 VanDerWaalsContact CB-O 3.26Å; S302-H331 WeakPolarHBondContact CB-O 3.46Å; L303-H331 PolarHBondContact N-O 3.14Å; L306-H331 WeakPolarHBondContact CD1-CD2 3.3Å; D325-H331 WeakPolarHBondContact CB-CE1 2.97Å; D325-H331 WeakPolarHBondContact O-CB 3.26Å; D325-H331 PolarHBondContact O-ND1 2.81Å; D325-H331 IonicContact OD1-CE1 2.96Å; S328-H331 PolarHBondContact O-N 2.97Å; S328-H331 PolarHBondContact OG-ND1 3.18Å; K329-H331 PolarHBondContact O-N 3.34Å |
| 332 | Q | 94.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 2% | 0.023 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -76.5 | 138.6 | 177.3 | -55.4 | -51.5 | -58.6 | 0 | 0 | 110.3 | A326 S328 K329 L334 P338 | A326-Q332 PolarHBondContact O-NE2 3.03Å; S328-Q332 WeakPolarHBondContact O-CG 3.3Å; S328-Q332 PolarHBondContact O-NE2 3.34Å; K329-Q332 PolarHBondContact O-N 3.1Å; Q332-L334 VanDerWaalsContact CB-O 3.23Å; Q332-L334 WeakPolarHBondContact CB-O 3.41Å; Q332-L334 PolarHBondContact O-N 2.81Å; Q332-P338 HydrophobicContact CG-CG 4.16Å |
| 333 | L | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -83.5 | -2.7 | 174.5 | -55.7 | -175.4 | 0 | 0 | 0 | 112.5 | I209 D210 L214 I217 I261 L265 S301 | I209-L333 CarbonylContact C-O 3.48Å; I209-L333 WeakPolarHBondContact CA-O 3.34Å; I209-L333 HydrophobicContact CG1-CB 4.46Å; I209-L333 HydrophobicContact CG2-CB 4.37Å; D210-L333 PolarHBondContact N-O 3.05Å; L214-L333 HydrophobicContact CD2-CD2 3.88Å; I217-L333 HydrophobicContact CD1-CD2 3.99Å; I261-L333 HydrophobicContact CG2-CD2 3.63Å; L265-L333 HydrophobicContact CB-CD1 4.18Å; L265-L333 HydrophobicContact CD1-CD1 4.17Å; L265-L333 HydrophobicContact CD2-CD1 3.85Å; L265-L333 HydrophobicContact CG-CD1 4.29Å; S301-L333 WeakPolarHBondContact O-CB 3.26Å; S301-L333 WeakPolarHBondContact O-CG 3.29Å; S301-L333 PolarHBondContact O-N 3.43Å |
| 334 | L | 94.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -123.8 | 145.7 | 173.3 | -171 | 69 | 0 | 0 | 0 | 108.5 | P208 D210 V300 Q332 A336 V405 T408 | P208-L334 HydrophobicContact CB-CD1 4.07Å; P208-L334 HydrophobicContact CB-CD2 4.32Å; P208-L334 HydrophobicContact CG-CD2 4.04Å; D210-L334 HydrophobicContact CB-CD1 3.94Å; V300-L334 HydrophobicContact CG1-CB 4.19Å; V300-L334 HydrophobicContact CG2-CD2 3.96Å; Q332-L334 VanDerWaalsContact CB-O 3.23Å; Q332-L334 WeakPolarHBondContact CB-O 3.41Å; Q332-L334 PolarHBondContact O-N 2.81Å; L334-A336 HydrophobicContact CD2-CB 4.38Å; L334-A336 HydrophobicContact CG-CB 4.48Å; L334-A336 PolarHBondContact O-N 3.41Å; L334-V405 HydrophobicContact CD2-CB 4.46Å; L334-V405 HydrophobicContact CD2-CG1 4.01Å; L334-T408 HydrophobicContact CD1-CG2 3.95Å |
| 335 | R | 89.6 | Confident | 92 | Very high | 87 Ų | 87 | 33.6 Ų | 33.6 | 33% | 0.328 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -73.4 | 72.9 | 179.1 | -169.7 | 167.6 | 62.9 | -164.3 | -3.8 | 111.4 | D210 S213 E411 | D210-R335 WeakPolarHBondContact OD2-CB 3.45Å; S213-R335 WeakPolarHBondContact OG-CA 3.38Å; S213-R335 WeakPolarHBondContact OG-CB 3.46Å; S213-R335 PolarHBondContact OG-N 2.7Å; R335-E411 IonicContact CZ-OE1 2.75Å; R335-E411 IonicContact CZ-OE2 3.55Å; R335-E411 IonicContact NH2-OE1 3.62Å; R335-E411 PolarHBondContact NH2-OE1 2.76Å; R335-E411 IonicContact NH2-OE2 3.88Å; R335-E411 PolarHBondContact NH2-OE2 2.93Å |
| 336 | A | 87.1 | Confident | 92.2 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | trans | -140.7 | 150.7 | -174 | 0 | 0 | 0 | 0 | 0 | 110.4 | L334 C404 | L334-A336 HydrophobicContact CD2-CB 4.38Å; L334-A336 HydrophobicContact CG-CB 4.48Å; L334-A336 PolarHBondContact O-N 3.41Å; A336-C404 HydrophobicContact CB-CB 3.97Å; A336-C404 VanDerWaalsContact CB-O 3.28Å; A336-C404 WeakPolarHBondContact CB-O 3.28Å | ||
| 337 | D | 90.2 | Very high | 92.4 | Very high | 56 Ų | 56 | 31.7 Ų | 31.7 | 30% | 0.299 | 15% | 0.152 | S | C | . | . | trans | -111.1 | 100.8 | 171.5 | -175.4 | -9.6 | 0 | 0 | 0 | 109.1 | K339 H340 S341 C404 | D337-K339 VanDerWaalsContact C-N 3.31Å; D337-K339 PolarHBondContact O-N 3.21Å; D337-K339 WeakPolarHBondContact OD1-CB 3.39Å; D337-K339 PolarHBondContact OD1-N 2.95Å; D337-K339 VanDerWaalsContact OD1-N 3.11Å; D337-H340 IonicContact OD1-ND1 3.71Å; D337-H340 IonicContact OD2-CE1 2.97Å; D337-H340 PolarHBondContact OD2-CE1 2.99Å; D337-H340 IonicContact OD2-CG 2.81Å; D337-H340 IonicContact OD2-ND1 3.34Å; D337-H340 PolarHBondContact OD2-ND1 2.73Å; D337-S341 PolarHBondContact O-OG 3.26Å; D337-S341 VanDerWaalsContact O-OG 3.04Å; D337-C404 WeakPolarHBondContact O-CB 3.45Å | ||
| 338 | P | 90.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -77.7 | -19.5 | -173.6 | 36.6 | -40 | 0 | 0 | 0 | 111.6 | Q332 H340 S341 Y343 N402 | Q332-P338 HydrophobicContact CG-CG 4.16Å; P338-H340 PolarHBondContact O-N 3.23Å; P338-S341 PolarHBondContact O-N 3.44Å; P338-Y343 HydrophobicContact CB-CE1 4.48Å; P338-Y343 VanDerWaalsContact CB-OH 3.28Å; P338-Y343 WeakPolarHBondContact CB-OH 3.47Å; P338-Y343 WeakPolarHBondContact O-CE2 3.14Å; P338-Y343 PolarHBondContact O-OH 3.42Å; P338-N402 PolarHBondContact O-ND2 3.14Å; P338-N402 VanDerWaalsContact O-ND2 3.14Å |
| 339 | K | 88.6 | Confident | 92.6 | Very high | 102 Ų | 102 | 29.6 Ų | 29.6 | 44% | 0.443 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -34.9 | -176.6 | -171 | 176.3 | -177.9 | 179.4 | 0 | 112.9 | D337 S341 L370 | D337-K339 VanDerWaalsContact C-N 3.31Å; D337-K339 PolarHBondContact O-N 3.21Å; D337-K339 WeakPolarHBondContact OD1-CB 3.39Å; D337-K339 PolarHBondContact OD1-N 2.95Å; D337-K339 VanDerWaalsContact OD1-N 3.11Å; K339-S341 VanDerWaalsContact C-N 3.32Å; K339-L370 HydrophobicContact CG-CD2 4.29Å |
| 340 | H | 85.6 | Confident | 92.8 | Very high | 123 Ų | 123 | 23.9 Ų | 23.9 | 57% | 0.569 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 14.7 | -179.7 | -59.9 | 103.4 | 0 | 0 | 0 | 113.2 | D337 P338 K461 | D337-H340 IonicContact OD1-ND1 3.71Å; D337-H340 IonicContact OD2-CE1 2.97Å; D337-H340 PolarHBondContact OD2-CE1 2.99Å; D337-H340 IonicContact OD2-CG 2.81Å; D337-H340 IonicContact OD2-ND1 3.34Å; D337-H340 PolarHBondContact OD2-ND1 2.73Å; P338-H340 PolarHBondContact O-N 3.23Å; H340-K461 PolarHBondContact O-NZ 3.36Å |
| 341 | S | 92.1 | Very high | 93 | Very high | 19 Ų | 19 | 19.9 Ų | 19.9 | 13% | 0.133 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -127 | 170 | -175 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | D337 P338 K339 N402 C404 | D337-S341 PolarHBondContact O-OG 3.26Å; D337-S341 VanDerWaalsContact O-OG 3.04Å; P338-S341 PolarHBondContact O-N 3.44Å; K339-S341 VanDerWaalsContact C-N 3.32Å; S341-N402 WeakPolarHBondContact CB-OD1 3.48Å; S341-C404 WeakPolarHBondContact OG-CB 3.35Å |
| 342 | L | 94.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.016 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.7 | -173.1 | -168 | 68 | 0 | 0 | 0 | 110.6 | Q371 V373 N402 T403 L457 K461 | L342-Q371 HydrophobicContact CD1-CB 4.25Å; L342-V373 HydrophobicContact CD2-CG1 3.61Å; L342-V373 HydrophobicContact CG-CG1 3.79Å; L342-N402 WeakPolarHBondContact O-CA 3.48Å; L342-N402 PolarHBondContact O-OD1 2.95Å; L342-T403 HydrophobicContact CB-CG2 3.95Å; L342-T403 PolarHBondContact N-OG1 2.79Å; L342-T403 PolarHBondContact O-N 3.49Å; L342-L457 WeakPolarHBondContact CD2-O 2.98Å; L342-K461 HydrophobicContact CD1-CB 4.46Å; L342-K461 HydrophobicContact CD1-CG 4.4Å |
| 343 | Y | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 128.7 | 175.3 | -69.8 | -99.5 | 0 | 0 | 0 | 110.5 | F327 P338 C346 L370 Q371 F372 V373 A400 N402 | F327-Y343 HydrophobicContact CD1-CE1 4.18Å; F327-Y343 AromaticContact CD1-CZ 4Å; F327-Y343 WeakPolarHBondContact CD1-OH 3.49Å; F327-Y343 AromaticContact CE1-CE1 3.96Å; F327-Y343 HydrophobicContact CE1-CE1 3.96Å; P338-Y343 HydrophobicContact CB-CE1 4.48Å; P338-Y343 VanDerWaalsContact CB-OH 3.28Å; P338-Y343 WeakPolarHBondContact CB-OH 3.47Å; P338-Y343 WeakPolarHBondContact O-CE2 3.14Å; P338-Y343 PolarHBondContact O-OH 3.42Å; Y343-C346 HydrophobicContact CD1-CB 4.26Å; Y343-L370 HydrophobicContact CD2-CB 4.25Å; Y343-L370 HydrophobicContact CE2-CB 3.98Å; Y343-L370 HydrophobicContact CE2-CD2 3.8Å; Y343-L370 HydrophobicContact CE2-CG 4.32Å; Y343-Q371 WeakPolarHBondContact CD2-O 3.46Å; Y343-Q371 PolarHBondContact N-O 2.67Å; Y343-F372 HydrophobicContact CD1-CZ 4.44Å; Y343-F372 HydrophobicContact CG-CE2 4.19Å; Y343-F372 HydrophobicContact CG-CZ 4.23Å; Y343-F372 CarbonylContact O-C 3.59Å; Y343-F372 WeakPolarHBondContact O-CA 3.37Å; Y343-V373 PolarHBondContact O-N 3.29Å; Y343-A400 HydrophobicContact CD1-CB 4.03Å; Y343-A400 HydrophobicContact CE1-CB 3.72Å; Y343-N402 HydrophobicContact CD1-CB 4.33Å; Y343-N402 WeakPolarHBondContact CD1-ND2 3.47Å; Y343-N402 WeakPolarHBondContact CD2-ND2 3.22Å; Y343-N402 VanDerWaalsContact CE1-ND2 3.31Å; Y343-N402 WeakPolarHBondContact CE1-ND2 3.45Å; Y343-N402 WeakPolarHBondContact CE2-ND2 3.49Å; Y343-N402 VanDerWaalsContact CG-ND2 3.34Å |
| 344 | L | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -43.9 | 168.7 | -77.1 | 64.5 | 0 | 0 | 0 | 109.5 | P292 F293 L296 V373 N376 N401 T403 L457 | P292-L344 HydrophobicContact CG-CB 4.14Å; P292-L344 HydrophobicContact CG-CD2 3.85Å; P292-L344 HydrophobicContact CG-CG 4.41Å; F293-L344 HydrophobicContact CD2-CD2 4.5Å; L296-L344 HydrophobicContact CB-CD2 4.41Å; L296-L344 HydrophobicContact CD1-CD2 3.96Å; L344-V373 HydrophobicContact CD1-CG1 4.17Å; L344-V373 HydrophobicContact CG-CG1 4.16Å; L344-N376 PolarHBondContact O-ND2 2.84Å; L344-N401 HydrophobicContact CB-CB 4.09Å; L344-N401 PolarHBondContact N-O 3.49Å; L344-T403 HydrophobicContact CD1-CG2 4.25Å; L344-L457 HydrophobicContact CD1-CD1 4.12Å; L344-L457 HydrophobicContact CD2-CD1 3.87Å; L344-L457 HydrophobicContact CG-CD1 4.28Å |
| 345 | A | 96.3 | Very high | 92 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 157.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L290 G379 N401 | L290-A345 HydrophobicContact CB-CB 4.33Å; L290-A345 HydrophobicContact CD2-CB 3.68Å; A345-G379 CarbonylContact C-O 3.46Å; A345-G379 WeakPolarHBondContact CA-O 3.42Å; A345-N401 PolarHBondContact N-O 2.92Å; A345-N401 PolarHBondContact O-N 3.22Å |
| 346 | C | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 130.3 | 177.1 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | Y343 F372 G379 W380 K381 L399 | Y343-C346 HydrophobicContact CD1-CB 4.26Å; C346-F372 HydrophobicContact CB-CE1 4.37Å; C346-F372 HydrophobicContact CB-CZ 4.05Å; C346-G379 PolarHBondContact N-O 2.78Å; C346-W380 HydrophobicContact CB-CE3 4.09Å; C346-W380 HydrophobicContact CB-CZ3 4.08Å; C346-W380 CarbonylContact O-C 3.59Å; C346-W380 WeakPolarHBondContact O-CA 3.3Å; C346-K381 PolarHBondContact O-N 3.22Å; C346-L399 CarbonylContact C-O 3.55Å; C346-L399 VanDerWaalsContact CA-O 3.3Å; C346-L399 WeakPolarHBondContact CA-O 3.29Å |
| 347 | A | 96.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 138 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M281 L290 K381 A398 L399 | M281-A347 HydrophobicContact CE-CB 3.58Å; L290-A347 HydrophobicContact CD1-CB 3.61Å; L290-A347 HydrophobicContact CD2-CB 4Å; L290-A347 HydrophobicContact CG-CB 4.3Å; A347-K381 CarbonylContact C-O 3.56Å; A347-K381 WeakPolarHBondContact CA-O 3.42Å; A347-K381 HydrophobicContact CB-CB 4.28Å; A347-A398 CarbonylContact O-C 3.57Å; A347-A398 VanDerWaalsContact O-CA 3.29Å; A347-A398 WeakPolarHBondContact O-CA 3.43Å; A347-L399 HydrophobicContact CB-CB 4.33Å; A347-L399 PolarHBondContact N-O 2.92Å; A347-L399 PolarHBondContact O-N 3Å |
| 348 | L | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 107.9 | 172 | -59.5 | 178.1 | 0 | 0 | 0 | 109.4 | F323 F327 I363 W380 K381 T382 S383 L396 A398 | F323-L348 HydrophobicContact CD1-CD1 4.04Å; F323-L348 HydrophobicContact CE1-CD1 3.82Å; F327-L348 HydrophobicContact CE2-CD2 4.09Å; F327-L348 HydrophobicContact CZ-CD2 3.78Å; L348-I363 HydrophobicContact CD1-CD1 4.2Å; L348-I363 HydrophobicContact CD1-CG1 3.83Å; L348-W380 HydrophobicContact CD1-CE3 3.97Å; L348-W380 HydrophobicContact CD1-CZ3 3.75Å; L348-W380 HydrophobicContact CD2-CZ3 4.37Å; L348-W380 HydrophobicContact CG-CE3 4.23Å; L348-W380 HydrophobicContact CG-CZ3 4.06Å; L348-K381 PolarHBondContact N-O 3.44Å; L348-T382 HydrophobicContact CB-CG2 4.28Å; L348-T382 CarbonylContact O-C 3.46Å; L348-T382 WeakPolarHBondContact O-CA 3.35Å; L348-S383 PolarHBondContact O-N 2.82Å; L348-L396 HydrophobicContact CB-CD1 3.87Å; L348-L396 HydrophobicContact CD2-CD1 4Å; L348-A398 HydrophobicContact CD2-CB 3.76Å |
| 349 | M | 95.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 100.1 | 179.1 | -52.7 | -174.7 | 78.3 | 0 | 0 | 109.2 | L269 M281 I286 S383 L396 L397 L399 | L269-M349 HydrophobicContact CD1-SD 4.07Å; L269-M349 WeakPolarHBondContact O-CE 3.35Å; M281-M349 HydrophobicContact SD-CE 3.98Å; M281-M349 HydrophobicContact SD-CG 4.38Å; M281-M349 HydrophobicContact SD-SD 4.33Å; I286-M349 HydrophobicContact CD1-SD 4.39Å; M349-S383 VanDerWaalsContact CA-OG 3.3Å; M349-S383 WeakPolarHBondContact CA-OG 3.43Å; M349-S383 WeakPolarHBondContact CB-OG 3.31Å; M349-L396 WeakPolarHBondContact O-CA 3.31Å; M349-L397 HydrophobicContact CB-CB 4.21Å; M349-L397 PolarHBondContact N-O 3.09Å; M349-L397 PolarHBondContact O-N 3.47Å; M349-L397 HydrophobicContact SD-CD2 3.99Å; M349-L399 HydrophobicContact SD-CD1 4.18Å |
| 350 | V | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 138.6 | -174.5 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | F323 V354 V359 S383 L384 C385 S395 L396 | F323-V350 HydrophobicContact CE1-CG2 4.29Å; F323-V350 HydrophobicContact CZ-CG2 3.8Å; V350-V354 HydrophobicContact CG1-CB 3.89Å; V350-V354 HydrophobicContact CG1-CG1 4.08Å; V350-V354 HydrophobicContact CG1-CG2 3.78Å; V350-V359 HydrophobicContact CG2-CG2 4.18Å; V350-S383 PolarHBondContact N-O 2.83Å; V350-L384 HydrophobicContact CB-CD1 4.01Å; V350-L384 HydrophobicContact CG1-CD1 3.91Å; V350-L384 WeakPolarHBondContact O-CA 3.47Å; V350-C385 PolarHBondContact O-N 3.42Å; V350-S395 WeakPolarHBondContact CA-O 3.37Å; V350-L396 HydrophobicContact CG2-CD1 3.69Å |
| 351 | R | 92.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 147.9 | 176.3 | -52.5 | -174.9 | 60.6 | -171.4 | -8 | 111.8 | E27 N268 S271 C385 I387 H394 S395 | E27-R351 IonicContact OE1-CZ 3.59Å; E27-R351 IonicContact OE1-NH1 2.74Å; E27-R351 PolarHBondContact OE1-NH1 3.49Å; E27-R351 IonicContact OE1-NH2 3.25Å; E27-R351 PolarHBondContact OE1-NH2 2.85Å; N268-R351 WeakPolarHBondContact OD1-CD 3.48Å; S271-R351 VanDerWaalsContact CB-NE 3.34Å; S271-R351 WeakPolarHBondContact OG-CD 3.35Å; R351-C385 CarbonylContact C-O 3.58Å; R351-C385 VanDerWaalsContact CA-O 3.31Å; R351-C385 WeakPolarHBondContact CA-O 3.42Å; R351-C385 HydrophobicContact CB-CB 4.48Å; R351-C385 HydrophobicContact CG-CB 4.1Å; R351-I387 PolarHBondContact NE-O 3.34Å; R351-I387 PolarHBondContact NH2-O 3.17Å; R351-I387 VanDerWaalsContact NH2-O 3.15Å; R351-H394 CarbonylContact O-C 3.48Å; R351-H394 WeakPolarHBondContact O-CA 3.48Å; R351-H394 WeakPolarHBondContact O-CB 3.43Å; R351-S395 WeakPolarHBondContact CB-OG 3.44Å; R351-S395 PolarHBondContact N-O 3.03Å; R351-S395 PolarHBondContact O-N 3.33Å |
| 352 | G | 89.5 | Confident | 93.2 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.1 | -163.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V354 C385 | G352-V354 VanDerWaalsContact C-N 3.27Å; G352-V354 PolarHBondContact O-N 3.2Å; G352-C385 PolarHBondContact N-O 3.03Å |
| 353 | N | 85.6 | Confident | 93.3 | Very high | 149 Ų | 149 | 36 Ų | 36 | 80% | 0.797 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -79.6 | 73.5 | -175.1 | -171.8 | 23.7 | 0 | 0 | 0 | 111.7 | ||
| 354 | V | 88.3 | Confident | 93.2 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | trans | -122.5 | 139.4 | 178 | -175.9 | 0 | 0 | 0 | 0 | 109 | L319 V350 G352 D358 V359 L384 H394 | L319-V354 HydrophobicContact CD1-CG1 4.08Å; L319-V354 HydrophobicContact CD1-CG2 3.68Å; L319-V354 HydrophobicContact CD2-CG1 4.01Å; V350-V354 HydrophobicContact CG1-CB 3.89Å; V350-V354 HydrophobicContact CG1-CG1 4.08Å; V350-V354 HydrophobicContact CG1-CG2 3.78Å; G352-V354 VanDerWaalsContact C-N 3.27Å; G352-V354 PolarHBondContact O-N 3.2Å; V354-D358 HydrophobicContact CG1-CB 4.13Å; V354-V359 HydrophobicContact CG1-CG2 3.99Å; V354-L384 HydrophobicContact CB-CD1 4.02Å; V354-L384 VanDerWaalsContact O-CD2 3.3Å; V354-L384 WeakPolarHBondContact O-CD2 3.38Å; V354-H394 HydrophobicContact CG2-CB 4.31Å | ||
| 355 | Q | 90 | Very high | 93.2 | Very high | 109 Ų | 109 | 46.3 Ų | 46.3 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | trans | -91.2 | 150.5 | 177.5 | -60.6 | -62.2 | -39.3 | 0 | 0 | 111.2 | S357 D358 V359 | Q355-S357 PolarHBondContact O-N 3Å; Q355-D358 WeakPolarHBondContact O-CB 3.48Å; Q355-D358 PolarHBondContact O-N 3.46Å; Q355-V359 PolarHBondContact O-N 2.85Å | ||
| 356 | I | 91.6 | Very high | 93 | Very high | 62 Ų | 62 | 46.5 Ų | 46.5 | 32% | 0.318 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.4 | -34.7 | 177.5 | -62.1 | 172.1 | 0 | 0 | 0 | 111.3 | D358 V359 R360 L384 | I356-D358 VanDerWaalsContact C-N 3.31Å; I356-D358 PolarHBondContact O-N 3.34Å; I356-V359 PolarHBondContact O-N 3.47Å; I356-R360 HydrophobicContact CG2-CG 4.42Å; I356-R360 WeakPolarHBondContact O-CG 3.34Å; I356-R360 PolarHBondContact O-N 3.23Å; I356-L384 HydrophobicContact CG1-CD2 3.65Å |
| 357 | S | 92.3 | Very high | 92.7 | Very high | 79 Ų | 79 | 49 Ų | 49 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.6 | -36.9 | 176.1 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | Q355 R361 | Q355-S357 PolarHBondContact O-N 3Å; S357-R361 WeakPolarHBondContact O-CB 3.37Å; S357-R361 PolarHBondContact O-N 3.43Å |
| 358 | D | 91.4 | Very high | 92.5 | Very high | 37 Ų | 37 | 54.6 Ų | 54.6 | 20% | 0.198 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 177.3 | -67.5 | -52.3 | 0 | 0 | 0 | 111.9 | L319 V354 Q355 I356 R361 N362 | L319-D358 HydrophobicContact CD2-CB 3.54Å; V354-D358 HydrophobicContact CG1-CB 4.13Å; Q355-D358 WeakPolarHBondContact O-CB 3.48Å; Q355-D358 PolarHBondContact O-N 3.46Å; I356-D358 VanDerWaalsContact C-N 3.31Å; I356-D358 PolarHBondContact O-N 3.34Å; D358-R361 IonicContact OD1-CZ 3.61Å; D358-R361 IonicContact OD1-NH1 3.79Å; D358-R361 PolarHBondContact OD1-NH1 2.61Å; D358-R361 IonicContact OD1-NH2 2.79Å; D358-R361 PolarHBondContact OD1-NH2 2.83Å; D358-N362 WeakPolarHBondContact O-CB 3.17Å; D358-N362 PolarHBondContact O-N 3.08Å; D358-N362 PolarHBondContact O-ND2 3.27Å |
| 359 | V | 92.7 | Very high | 92.2 | Very high | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -49.8 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | F323 V350 V354 Q355 I356 R361 N362 I363 T382 | F323-V359 HydrophobicContact CE1-CG1 4.27Å; F323-V359 HydrophobicContact CZ-CB 4.41Å; F323-V359 HydrophobicContact CZ-CG1 4.25Å; F323-V359 HydrophobicContact CZ-CG2 4.2Å; V350-V359 HydrophobicContact CG2-CG2 4.18Å; V354-V359 HydrophobicContact CG1-CG2 3.99Å; Q355-V359 PolarHBondContact O-N 2.85Å; I356-V359 PolarHBondContact O-N 3.47Å; V359-R361 PolarHBondContact O-N 2.92Å; V359-N362 PolarHBondContact O-N 3.14Å; V359-N362 VanDerWaalsContact O-N 3.15Å; V359-I363 HydrophobicContact CG1-CD1 4.08Å; V359-I363 WeakPolarHBondContact O-CG1 3.44Å; V359-I363 PolarHBondContact O-N 2.83Å; V359-T382 HydrophobicContact CG1-CG2 3.84Å |
| 360 | R | 93.4 | Very high | 92.1 | Very high | 175 Ų | 175 | 57.3 Ų | 57.3 | 66% | 0.66 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.6 | -45.8 | 177.7 | -71.7 | 179.3 | -179.3 | 172.8 | 0.9 | 112 | I356 N362 I363 E364 | I356-R360 HydrophobicContact CG2-CG 4.42Å; I356-R360 WeakPolarHBondContact O-CG 3.34Å; I356-R360 PolarHBondContact O-N 3.23Å; R360-N362 VanDerWaalsContact C-N 3.26Å; R360-N362 PolarHBondContact O-N 3.07Å; R360-I363 PolarHBondContact O-N 2.96Å; R360-E364 PolarHBondContact O-N 3.49Å |
| 361 | R | 94.8 | Very high | 91.9 | Very high | 109 Ų | 109 | 61.3 Ų | 61.3 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.5 | -41.9 | 175.7 | -176.1 | -175.1 | 73.7 | -131 | -3.6 | 111.7 | D320 S357 D358 V359 R365 | D320-R361 IonicContact OD1-CZ 3.34Å; D320-R361 IonicContact OD1-NE 3.24Å; D320-R361 IonicContact OD1-NH2 3.03Å; D320-R361 PolarHBondContact OD1-NH2 2.96Å; D320-R361 IonicContact OD2-NH2 2.66Å; S357-R361 WeakPolarHBondContact O-CB 3.37Å; S357-R361 PolarHBondContact O-N 3.43Å; D358-R361 IonicContact OD1-CZ 3.61Å; D358-R361 IonicContact OD1-NH1 3.79Å; D358-R361 PolarHBondContact OD1-NH1 2.61Å; D358-R361 IonicContact OD1-NH2 2.79Å; D358-R361 PolarHBondContact OD1-NH2 2.83Å; V359-R361 PolarHBondContact O-N 2.92Å; R361-R365 WeakPolarHBondContact O-CB 3.13Å; R361-R365 PolarHBondContact O-N 3.18Å; R361-R365 VanDerWaalsContact O-N 3.12Å |
| 362 | N | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.1 | -36.8 | -179.9 | -88.7 | -71.3 | 0 | 0 | 0 | 113.3 | D320 F323 D358 V359 R360 R365 L366 | D320-N362 VanDerWaalsContact CA-OD1 3.3Å; D320-N362 WeakPolarHBondContact CA-OD1 3.49Å; D320-N362 PolarHBondContact OD1-ND2 3.07Å; D320-N362 PolarHBondContact OD1-OD1 3.36Å; F323-N362 HydrophobicContact CB-CB 4Å; F323-N362 HydrophobicContact CD1-CB 3.7Å; F323-N362 HydrophobicContact CD2-CB 3.85Å; F323-N362 HydrophobicContact CE1-CB 4.08Å; F323-N362 HydrophobicContact CE2-CB 4.24Å; F323-N362 HydrophobicContact CG-CB 3.57Å; F323-N362 HydrophobicContact CZ-CB 4.35Å; D358-N362 WeakPolarHBondContact O-CB 3.17Å; D358-N362 PolarHBondContact O-N 3.08Å; D358-N362 PolarHBondContact O-ND2 3.27Å; V359-N362 PolarHBondContact O-N 3.14Å; V359-N362 VanDerWaalsContact O-N 3.15Å; R360-N362 VanDerWaalsContact C-N 3.26Å; R360-N362 PolarHBondContact O-N 3.07Å; N362-R365 PolarHBondContact O-N 2.97Å; N362-R365 PolarHBondContact OD1-NE 3.2Å; N362-R365 PolarHBondContact OD1-NH2 3.04Å; N362-L366 WeakPolarHBondContact O-CB 3.42Å; N362-L366 VanDerWaalsContact O-CG 3.29Å; N362-L366 WeakPolarHBondContact O-CG 3.38Å; N362-L366 PolarHBondContact O-N 3.44Å |
| 363 | I | 94.7 | Very high | 92.1 | Very high | 17 Ų | 17 | 61.8 Ų | 61.8 | 9% | 0.087 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 173.4 | -69.8 | 167.7 | 0 | 0 | 0 | 110.2 | L348 V359 R360 R365 L366 K367 W380 T382 | L348-I363 HydrophobicContact CD1-CD1 4.2Å; L348-I363 HydrophobicContact CD1-CG1 3.83Å; V359-I363 HydrophobicContact CG1-CD1 4.08Å; V359-I363 WeakPolarHBondContact O-CG1 3.44Å; V359-I363 PolarHBondContact O-N 2.83Å; R360-I363 PolarHBondContact O-N 2.96Å; I363-R365 PolarHBondContact O-N 3.06Å; I363-L366 PolarHBondContact O-N 2.96Å; I363-K367 WeakPolarHBondContact O-CB 3.41Å; I363-K367 PolarHBondContact O-N 3.21Å; I363-W380 HydrophobicContact CG1-CE3 4.32Å; I363-W380 HydrophobicContact CG2-CD2 3.88Å; I363-W380 HydrophobicContact CG2-CE3 4.49Å; I363-W380 HydrophobicContact CG2-CG 3.91Å; I363-T382 HydrophobicContact CD1-CG2 3.49Å; I363-T382 VanDerWaalsContact CD1-CG2 3.49Å |
| 364 | E | 94.6 | Very high | 92.3 | Very high | 115 Ų | 115 | 56.8 Ų | 56.8 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.2 | -34.1 | 178.2 | -69.2 | -54.5 | 137.8 | 0 | 0 | 112.6 | R360 P368 | R360-E364 PolarHBondContact O-N 3.49Å; E364-P368 WeakPolarHBondContact O-CD 3.38Å |
| 365 | R | 94.5 | Very high | 92.3 | Very high | 100 Ų | 100 | 62.5 Ų | 62.5 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.6 | -35.8 | 175.5 | -174.2 | -177.8 | 62.2 | 76.6 | 5.2 | 112.9 | D320 S324 R361 N362 I363 P368 | D320-R365 PolarHBondContact O-NH2 3.48Å; S324-R365 PolarHBondContact OG-NH1 3.07Å; S324-R365 PolarHBondContact OG-NH2 3.43Å; R361-R365 WeakPolarHBondContact O-CB 3.13Å; R361-R365 PolarHBondContact O-N 3.18Å; R361-R365 VanDerWaalsContact O-N 3.12Å; N362-R365 PolarHBondContact O-N 2.97Å; N362-R365 PolarHBondContact OD1-NE 3.2Å; N362-R365 PolarHBondContact OD1-NH2 3.04Å; I363-R365 PolarHBondContact O-N 3.06Å; R365-P368 WeakPolarHBondContact O-CD 3.4Å |
| 366 | L | 92.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -83.4 | -30.6 | -177 | -72.6 | 170.9 | 0 | 0 | 0 | 112.7 | F323 F327 N362 I363 P368 S369 L370 | F323-L366 HydrophobicContact CB-CD1 4.04Å; F323-L366 HydrophobicContact CD1-CD1 4.43Å; F327-L366 HydrophobicContact CD2-CD1 3.75Å; F327-L366 HydrophobicContact CD2-CD2 4.27Å; F327-L366 HydrophobicContact CE2-CD1 3.49Å; F327-L366 VanDerWaalsContact CE2-CD1 3.49Å; N362-L366 WeakPolarHBondContact O-CB 3.42Å; N362-L366 VanDerWaalsContact O-CG 3.29Å; N362-L366 WeakPolarHBondContact O-CG 3.38Å; N362-L366 PolarHBondContact O-N 3.44Å; I363-L366 PolarHBondContact O-N 2.96Å; L366-P368 VanDerWaalsContact C-CD 3.43Å; L366-S369 WeakPolarHBondContact O-CA 3.45Å; L366-S369 PolarHBondContact O-N 3.49Å; L366-S369 PolarHBondContact O-OG 3.28Å; L366-L370 HydrophobicContact CB-CD1 4.12Å; L366-L370 PolarHBondContact O-N 3.38Å |
| 367 | K | 91.1 | Very high | 92.1 | Very high | 53 Ų | 53 | 59.9 Ų | 59.9 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -48.8 | -42.6 | -176.6 | -169.9 | 172.3 | -177.1 | 171.1 | 0 | 114.4 | I363 S369 L370 E378 | I363-K367 WeakPolarHBondContact O-CB 3.41Å; I363-K367 PolarHBondContact O-N 3.21Å; K367-S369 PolarHBondContact O-N 3.1Å; K367-L370 PolarHBondContact O-N 3Å; K367-L370 VanDerWaalsContact O-O 3.05Å; K367-E378 IonicContact NZ-OE1 2.84Å; K367-E378 PolarHBondContact NZ-OE1 2.79Å; K367-E378 IonicContact NZ-OE2 3.88Å; K367-E378 PolarHBondContact NZ-OE2 3.37Å |
| 368 | P | 90.8 | Very high | 91.9 | Very high | 117 Ų | 117 | 62.1 Ų | 62.1 | 76% | 0.76 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -68.1 | -20.8 | 177.6 | -19.9 | 33.2 | 0 | 0 | 0 | 114.2 | E364 R365 L366 | E364-P368 WeakPolarHBondContact O-CD 3.38Å; R365-P368 WeakPolarHBondContact O-CD 3.4Å; L366-P368 VanDerWaalsContact C-CD 3.43Å |
| 369 | S | 90.4 | Very high | 91.9 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -96.1 | -12 | -175.8 | 72.7 | 0 | 0 | 0 | 0 | 114.1 | L366 K367 | L366-S369 WeakPolarHBondContact O-CA 3.45Å; L366-S369 PolarHBondContact O-N 3.49Å; L366-S369 PolarHBondContact O-OG 3.28Å; K367-S369 PolarHBondContact O-N 3.1Å |
| 370 | L | 92.4 | Very high | 91.9 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -118.5 | 126.8 | -176 | -58.4 | 178.3 | 0 | 0 | 0 | 109 | F327 K339 Y343 L366 K367 F372 W380 | F327-L370 HydrophobicContact CB-CD2 4.35Å; F327-L370 HydrophobicContact CD1-CD1 3.91Å; F327-L370 HydrophobicContact CD1-CD2 4.34Å; F327-L370 HydrophobicContact CD2-CD1 4.15Å; F327-L370 HydrophobicContact CE1-CD1 3.87Å; F327-L370 HydrophobicContact CE2-CD1 4.17Å; F327-L370 HydrophobicContact CG-CD1 4.02Å; F327-L370 HydrophobicContact CG-CD2 4.34Å; F327-L370 HydrophobicContact CZ-CD1 4Å; K339-L370 HydrophobicContact CG-CD2 4.29Å; Y343-L370 HydrophobicContact CD2-CB 4.25Å; Y343-L370 HydrophobicContact CE2-CB 3.98Å; Y343-L370 HydrophobicContact CE2-CD2 3.8Å; Y343-L370 HydrophobicContact CE2-CG 4.32Å; L366-L370 HydrophobicContact CB-CD1 4.12Å; L366-L370 PolarHBondContact O-N 3.38Å; K367-L370 PolarHBondContact O-N 3Å; K367-L370 VanDerWaalsContact O-O 3.05Å; L370-F372 HydrophobicContact CB-CE2 4.13Å; L370-W380 HydrophobicContact CD1-CH2 3.52Å; L370-W380 HydrophobicContact CD1-CZ2 3.9Å |
| 371 | Q | 91.7 | Very high | 92 | Very high | 84 Ų | 84 | 56.5 Ų | 56.5 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 115.6 | -176 | -66.9 | -177 | -14.1 | 0 | 0 | 109.9 | L342 Y343 | L342-Q371 HydrophobicContact CD1-CB 4.25Å; Y343-Q371 WeakPolarHBondContact CD2-O 3.46Å; Y343-Q371 PolarHBondContact N-O 2.67Å |
| 372 | F | 93.8 | Very high | 92 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 152.4 | 173.4 | -79 | -108.9 | 0 | 0 | 0 | 110.7 | Y343 C346 L370 N376 Q377 W380 | Y343-F372 HydrophobicContact CD1-CZ 4.44Å; Y343-F372 HydrophobicContact CG-CE2 4.19Å; Y343-F372 HydrophobicContact CG-CZ 4.23Å; Y343-F372 CarbonylContact O-C 3.59Å; Y343-F372 WeakPolarHBondContact O-CA 3.37Å; C346-F372 HydrophobicContact CB-CE1 4.37Å; C346-F372 HydrophobicContact CB-CZ 4.05Å; L370-F372 HydrophobicContact CB-CE2 4.13Å; F372-N376 WeakPolarHBondContact CB-O 3.06Å; F372-N376 WeakPolarHBondContact CD1-O 3.31Å; F372-Q377 PolarHBondContact O-NE2 2.85Å; F372-W380 AromaticContact CE2-CE2 3.62Å; F372-W380 HydrophobicContact CE2-CH2 4.27Å; F372-W380 AromaticContact CE2-CZ2 3.46Å; F372-W380 HydrophobicContact CE2-CZ2 3.46Å; F372-W380 VanDerWaalsContact CE2-CZ2 3.46Å; F372-W380 AromaticContact CE2-NE1 3.7Å; F372-W380 AromaticContact CZ-CD2 3.94Å; F372-W380 HydrophobicContact CZ-CD2 3.94Å; F372-W380 AromaticContact CZ-CE2 3.42Å; F372-W380 VanDerWaalsContact CZ-CE2 3.42Å; F372-W380 HydrophobicContact CZ-CE3 4.46Å; F372-W380 HydrophobicContact CZ-CG 4.46Å; F372-W380 HydrophobicContact CZ-CH2 4.16Å; F372-W380 AromaticContact CZ-CZ2 3.58Å; F372-W380 HydrophobicContact CZ-CZ2 3.58Å; F372-W380 AromaticContact CZ-NE1 3.61Å |
| 373 | V | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -51.7 | 140.7 | 170.1 | -69.2 | 0 | 0 | 0 | 0 | 111.1 | L342 Y343 L344 W375 N376 Q377 | L342-V373 HydrophobicContact CD2-CG1 3.61Å; L342-V373 HydrophobicContact CG-CG1 3.79Å; Y343-V373 PolarHBondContact O-N 3.29Å; L344-V373 HydrophobicContact CD1-CG1 4.17Å; L344-V373 HydrophobicContact CG-CG1 4.16Å; V373-W375 HydrophobicContact CB-CD2 4.32Å; V373-W375 HydrophobicContact CB-CZ2 3.99Å; V373-W375 HydrophobicContact CG1-CZ2 4.13Å; V373-W375 HydrophobicContact CG2-CD2 3.8Å; V373-W375 VanDerWaalsContact CG2-CE2 3.48Å; V373-W375 HydrophobicContact CG2-CE3 4.13Å; V373-W375 HydrophobicContact CG2-CG 4.41Å; V373-W375 HydrophobicContact CG2-CH2 3.81Å; V373-W375 HydrophobicContact CG2-CZ2 3.5Å; V373-W375 HydrophobicContact CG2-CZ3 4.13Å; V373-W375 PolarHBondContact O-N 3.32Å; V373-N376 HydrophobicContact CG2-CB 3.6Å; V373-N376 CarbonylContact O-C 3.51Å; V373-N376 PolarHBondContact O-N 3.23Å; V373-Q377 VanDerWaalsContact C-NE2 3.29Å; V373-Q377 PolarHBondContact O-NE2 3.37Å | ||
| 374 | S | 89.8 | Confident | 92 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 30% | 0.301 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -33.8 | -172.6 | 54.8 | 0 | 0 | 0 | 0 | 114 | ||
| 375 | W | 88.5 | Confident | 91.9 | Very high | 130 Ų | 130 | 46.8 Ų | 46.8 | 49% | 0.492 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -7.9 | -179.3 | 51.7 | -95.9 | 0 | 0 | 0 | 114.5 | P292 F293 V373 | P292-W375 HydrophobicContact CB-CH2 3.66Å; P292-W375 HydrophobicContact CB-CZ3 4.18Å; P292-W375 HydrophobicContact CG-CH2 3.81Å; F293-W375 HydrophobicContact CE2-CH2 4.3Å; F293-W375 AromaticContact CE2-CZ2 3.88Å; F293-W375 HydrophobicContact CE2-CZ2 3.88Å; F293-W375 HydrophobicContact CZ-CZ2 4.37Å; V373-W375 HydrophobicContact CB-CD2 4.32Å; V373-W375 HydrophobicContact CB-CZ2 3.99Å; V373-W375 HydrophobicContact CG1-CZ2 4.13Å; V373-W375 HydrophobicContact CG2-CD2 3.8Å; V373-W375 VanDerWaalsContact CG2-CE2 3.48Å; V373-W375 HydrophobicContact CG2-CE3 4.13Å; V373-W375 HydrophobicContact CG2-CG 4.41Å; V373-W375 HydrophobicContact CG2-CH2 3.81Å; V373-W375 HydrophobicContact CG2-CZ2 3.5Å; V373-W375 HydrophobicContact CG2-CZ3 4.13Å; V373-W375 PolarHBondContact O-N 3.32Å |
| 376 | N | 89.8 | Confident | 91.7 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 23% | 0.225 | 24% | 0.237 | C | C | . | . | trans | -137.7 | 60.8 | 179.1 | -165.9 | 21.4 | 0 | 0 | 0 | 112.9 | L344 F372 V373 E378 G379 | L344-N376 PolarHBondContact O-ND2 2.84Å; F372-N376 WeakPolarHBondContact CB-O 3.06Å; F372-N376 WeakPolarHBondContact CD1-O 3.31Å; V373-N376 HydrophobicContact CG2-CB 3.6Å; V373-N376 CarbonylContact O-C 3.51Å; V373-N376 PolarHBondContact O-N 3.23Å; N376-E378 PolarHBondContact O-N 3.08Å; N376-G379 VanDerWaalsContact CG-CA 3.47Å; N376-G379 VanDerWaalsContact ND2-CA 3.26Å; N376-G379 WeakPolarHBondContact ND2-CA 3.32Å; N376-G379 PolarHBondContact O-N 2.96Å; N376-G379 VanDerWaalsContact OD1-CA 3.26Å; N376-G379 WeakPolarHBondContact OD1-CA 3.48Å; N376-G379 PolarHBondContact OD1-N 3.23Å | ||
| 377 | Q | 87.8 | Confident | 91.6 | Very high | 74 Ų | 74 | 46.7 Ų | 46.7 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19 | 179.4 | -64.1 | -62.2 | -54.9 | 0 | 0 | 113.9 | F372 V373 V465 | F372-Q377 PolarHBondContact O-NE2 2.85Å; V373-Q377 VanDerWaalsContact C-NE2 3.29Å; V373-Q377 PolarHBondContact O-NE2 3.37Å; Q377-V465 HydrophobicContact CG-CG2 4.46Å |
| 378 | E | 87.7 | Confident | 91.6 | Very high | 125 Ų | 125 | 46.7 Ų | 46.7 | 58% | 0.584 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 31.1 | 176.1 | -56 | -59.6 | 160 | 0 | 0 | 111.7 | K367 N376 W380 | K367-E378 IonicContact NZ-OE1 2.84Å; K367-E378 PolarHBondContact NZ-OE1 2.79Å; K367-E378 IonicContact NZ-OE2 3.88Å; K367-E378 PolarHBondContact NZ-OE2 3.37Å; N376-E378 PolarHBondContact O-N 3.08Å; E378-W380 PolarHBondContact O-N 3.38Å |
| 379 | G | 90.9 | Very high | 91.5 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | trans | -68.7 | 31 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A345 C346 N376 | A345-G379 CarbonylContact C-O 3.46Å; A345-G379 WeakPolarHBondContact CA-O 3.42Å; C346-G379 PolarHBondContact N-O 2.78Å; N376-G379 VanDerWaalsContact CG-CA 3.47Å; N376-G379 VanDerWaalsContact ND2-CA 3.26Å; N376-G379 WeakPolarHBondContact ND2-CA 3.32Å; N376-G379 PolarHBondContact O-N 2.96Å; N376-G379 VanDerWaalsContact OD1-CA 3.26Å; N376-G379 WeakPolarHBondContact OD1-CA 3.48Å; N376-G379 PolarHBondContact OD1-N 3.23Å | ||
| 380 | W | 93.8 | Very high | 91.2 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.3 | -179.2 | -65.4 | 96.3 | 0 | 0 | 0 | 110.6 | F327 C346 L348 I363 L370 F372 E378 | F327-W380 HydrophobicContact CE1-CH2 4.46Å; F327-W380 HydrophobicContact CE2-CH2 4.31Å; F327-W380 HydrophobicContact CE2-CZ3 4.4Å; F327-W380 AromaticContact CZ-CH2 3.79Å; F327-W380 HydrophobicContact CZ-CH2 3.79Å; F327-W380 AromaticContact CZ-CZ3 3.72Å; F327-W380 HydrophobicContact CZ-CZ3 3.72Å; C346-W380 HydrophobicContact CB-CE3 4.09Å; C346-W380 HydrophobicContact CB-CZ3 4.08Å; C346-W380 CarbonylContact O-C 3.59Å; C346-W380 WeakPolarHBondContact O-CA 3.3Å; L348-W380 HydrophobicContact CD1-CE3 3.97Å; L348-W380 HydrophobicContact CD1-CZ3 3.75Å; L348-W380 HydrophobicContact CD2-CZ3 4.37Å; L348-W380 HydrophobicContact CG-CE3 4.23Å; L348-W380 HydrophobicContact CG-CZ3 4.06Å; I363-W380 HydrophobicContact CG1-CE3 4.32Å; I363-W380 HydrophobicContact CG2-CD2 3.88Å; I363-W380 HydrophobicContact CG2-CE3 4.49Å; I363-W380 HydrophobicContact CG2-CG 3.91Å; L370-W380 HydrophobicContact CD1-CH2 3.52Å; L370-W380 HydrophobicContact CD1-CZ2 3.9Å; F372-W380 AromaticContact CE2-CE2 3.62Å; F372-W380 HydrophobicContact CE2-CH2 4.27Å; F372-W380 AromaticContact CE2-CZ2 3.46Å; F372-W380 HydrophobicContact CE2-CZ2 3.46Å; F372-W380 VanDerWaalsContact CE2-CZ2 3.46Å; F372-W380 AromaticContact CE2-NE1 3.7Å; F372-W380 AromaticContact CZ-CD2 3.94Å; F372-W380 HydrophobicContact CZ-CD2 3.94Å; F372-W380 AromaticContact CZ-CE2 3.42Å; F372-W380 VanDerWaalsContact CZ-CE2 3.42Å; F372-W380 HydrophobicContact CZ-CE3 4.46Å; F372-W380 HydrophobicContact CZ-CG 4.46Å; F372-W380 HydrophobicContact CZ-CH2 4.16Å; F372-W380 AromaticContact CZ-CZ2 3.58Å; F372-W380 HydrophobicContact CZ-CZ2 3.58Å; F372-W380 AromaticContact CZ-NE1 3.61Å; E378-W380 PolarHBondContact O-N 3.38Å |
| 381 | K | 94.9 | Very high | 90.5 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 24% | 0.243 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 142.7 | 166.3 | -170.6 | 69.7 | 177 | -168.5 | 0 | 108.7 | M281 E285 C346 A347 L348 | M281-K381 HydrophobicContact CE-CB 4Å; M281-K381 HydrophobicContact CE-CG 3.33Å; E285-K381 IonicContact OE1-NZ 2.67Å; E285-K381 WeakPolarHBondContact OE2-CE 3.29Å; E285-K381 IonicContact OE2-NZ 2.7Å; E285-K381 PolarHBondContact OE2-NZ 3.46Å; C346-K381 PolarHBondContact O-N 3.22Å; A347-K381 CarbonylContact C-O 3.56Å; A347-K381 WeakPolarHBondContact CA-O 3.42Å; A347-K381 HydrophobicContact CB-CB 4.28Å; L348-K381 PolarHBondContact N-O 3.44Å |
| 382 | T | 94.6 | Very high | 89.9 | Confident | 31 Ų | 31 | 40.6 Ų | 40.6 | 19% | 0.19 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 148 | 179.9 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | L279 L348 V359 I363 | L279-T382 WeakPolarHBondContact CD2-O 3.01Å; L279-T382 WeakPolarHBondContact CD2-OG1 3.32Å; L348-T382 HydrophobicContact CB-CG2 4.28Å; L348-T382 CarbonylContact O-C 3.46Å; L348-T382 WeakPolarHBondContact O-CA 3.35Å; V359-T382 HydrophobicContact CG1-CG2 3.84Å; I363-T382 HydrophobicContact CD1-CG2 3.49Å; I363-T382 VanDerWaalsContact CD1-CG2 3.49Å |
| 383 | S | 94.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148.1 | 166.2 | 83.4 | 0 | 0 | 0 | 0 | 109.1 | S272 L279 L348 M349 V350 | S272-S383 WeakPolarHBondContact OG-CB 3.45Å; S272-S383 PolarHBondContact OG-OG 2.78Å; S272-S383 VanDerWaalsContact OG-OG 3.06Å; L279-S383 CarbonylContact O-C 3.24Å; L279-S383 WeakPolarHBondContact O-CA 3.49Å; L348-S383 PolarHBondContact O-N 2.82Å; M349-S383 VanDerWaalsContact CA-OG 3.3Å; M349-S383 WeakPolarHBondContact CA-OG 3.43Å; M349-S383 WeakPolarHBondContact CB-OG 3.31Å; V350-S383 PolarHBondContact N-O 2.83Å |
| 384 | L | 94.6 | Very high | 89.1 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 102.4 | -178.1 | 177.6 | 60.6 | 0 | 0 | 0 | 109.8 | G277 S278 L279 V350 V354 I356 | G277-L384 CarbonylContact C-O 3.53Å; G277-L384 WeakPolarHBondContact CA-O 3.45Å; S278-L384 PolarHBondContact N-O 3.23Å; L279-L384 HydrophobicContact CB-CB 4.14Å; L279-L384 PolarHBondContact N-O 2.64Å; L279-L384 PolarHBondContact O-N 3.03Å; V350-L384 HydrophobicContact CB-CD1 4.01Å; V350-L384 HydrophobicContact CG1-CD1 3.91Å; V350-L384 WeakPolarHBondContact O-CA 3.47Å; V354-L384 HydrophobicContact CB-CD1 4.02Å; V354-L384 VanDerWaalsContact O-CD2 3.3Å; V354-L384 WeakPolarHBondContact O-CD2 3.38Å; I356-L384 HydrophobicContact CG1-CD2 3.65Å |
| 385 | C | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129.1 | 174.2 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | F275 V350 R351 G352 I387 | F275-C385 VanDerWaalsContact CB-SG 3.57Å; V350-C385 PolarHBondContact O-N 3.42Å; R351-C385 CarbonylContact C-O 3.58Å; R351-C385 VanDerWaalsContact CA-O 3.31Å; R351-C385 WeakPolarHBondContact CA-O 3.42Å; R351-C385 HydrophobicContact CB-CB 4.48Å; R351-C385 HydrophobicContact CG-CB 4.1Å; G352-C385 PolarHBondContact N-O 3.03Å; C385-I387 PolarHBondContact O-N 3.42Å |
| 386 | S | 90.8 | Very high | 89.5 | Confident | 68 Ų | 68 | 35.8 Ų | 35.8 | 48% | 0.476 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -72.4 | -16.8 | -178.8 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | E276 P388 | E276-S386 PolarHBondContact O-N 2.9Å; S386-P388 WeakPolarHBondContact O-CD 3.28Å |
| 387 | I | 91.1 | Very high | 89.8 | Confident | 38 Ų | 38 | 33.8 Ų | 33.8 | 20% | 0.195 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -92.4 | 114.8 | -176 | -55.3 | -164.3 | 0 | 0 | 0 | 110.4 | V31 F275 R351 C385 | V31-I387 HydrophobicContact CG1-CD1 3.7Å; V31-I387 HydrophobicContact CG2-CD1 4.06Å; V31-I387 HydrophobicContact CG2-CG2 3.41Å; V31-I387 VanDerWaalsContact CG2-CG2 3.41Å; F275-I387 HydrophobicContact CB-CB 4.24Å; F275-I387 HydrophobicContact CB-CD1 3.73Å; F275-I387 HydrophobicContact CB-CG1 4.04Å; F275-I387 HydrophobicContact CD1-CD1 3.54Å; F275-I387 HydrophobicContact CD2-CB 4.29Å; F275-I387 HydrophobicContact CD2-CG2 4.36Å; F275-I387 HydrophobicContact CE1-CD1 4.24Å; F275-I387 HydrophobicContact CE2-CG2 4.46Å; F275-I387 HydrophobicContact CG-CB 4.21Å; F275-I387 HydrophobicContact CG-CD1 3.7Å; F275-I387 HydrophobicContact CG-CG1 4.28Å; F275-I387 HydrophobicContact CG-CG2 4.47Å; R351-I387 PolarHBondContact NE-O 3.34Å; R351-I387 PolarHBondContact NH2-O 3.17Å; R351-I387 VanDerWaalsContact NH2-O 3.15Å; C385-I387 PolarHBondContact O-N 3.42Å |
| 388 | P | 89.9 | Confident | 90.2 | Very high | 53 Ų | 53 | 30.4 Ų | 30.4 | 34% | 0.344 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -73.4 | 156.4 | 178.5 | 32.4 | -35.4 | 0 | 0 | 0 | 111.8 | S386 S393 | S386-P388 WeakPolarHBondContact O-CD 3.28Å; P388-S393 WeakPolarHBondContact CB-O 3.31Å |
| 389 | P | 88.4 | Confident | 90.7 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.032 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 156.4 | 170.2 | -16.3 | 29 | 0 | 0 | 0 | 112.1 | G391 H392 S395 | P389-G391 PolarHBondContact O-N 3.21Å; P389-H392 HydrophobicContact CB-CB 4.48Å; P389-H392 PolarHBondContact O-N 3.27Å; P389-H392 VanDerWaalsContact O-N 3.17Å; P389-S395 WeakPolarHBondContact CD-OG 3.39Å; P389-S395 WeakPolarHBondContact CG-OG 3.44Å |
| 390 | V | 84.5 | Confident | 91 | Very high | 76 Ų | 76 | 24.2 Ų | 24.2 | 46% | 0.461 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 132.2 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | E27 A30 H392 | E27-V390 HydrophobicContact CB-CG2 4.08Å; E27-V390 HydrophobicContact CG-CG2 4.36Å; A30-V390 HydrophobicContact CB-CG2 4.06Å; V390-H392 PolarHBondContact O-N 3.09Å; V390-H392 PolarHBondContact O-ND1 3.5Å |
| 391 | G | 77.4 | Confident | 91.1 | Very high | 32 Ų | 32 | 22.5 Ų | 22.5 | 33% | 0.33 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | -4.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S238 T308 P389 | S238-G391 PolarHBondContact OG-O 2.84Å; T308-G391 PolarHBondContact OG1-O 3.4Å; P389-G391 PolarHBondContact O-N 3.21Å |
| 392 | H | 79.4 | Confident | 91.2 | Very high | 17 Ų | 17 | 19.8 Ų | 19.8 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | trans | -122.2 | 151.6 | 178.8 | -63.9 | 84 | 0 | 0 | 0 | 110.3 | S238 T308 P389 V390 | S238-H392 PolarHBondContact O-CE1 3.41Å; S238-H392 PolarHBondContact O-NE2 3.49Å; T308-H392 PolarHBondContact OG1-CD2 3.18Å; T308-H392 PolarHBondContact OG1-NE2 2.86Å; P389-H392 HydrophobicContact CB-CB 4.48Å; P389-H392 PolarHBondContact O-N 3.27Å; P389-H392 VanDerWaalsContact O-N 3.17Å; V390-H392 PolarHBondContact O-N 3.09Å; V390-H392 PolarHBondContact O-ND1 3.5Å | ||
| 393 | S | 82.3 | Confident | 91.3 | Very high | 60 Ų | 60 | 18.4 Ų | 18.4 | 42% | 0.42 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -87.9 | -22.9 | 172.9 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | P388 | P388-S393 WeakPolarHBondContact CB-O 3.31Š|
| 394 | H | 87.3 | Confident | 91.3 | Very high | 21 Ų | 21 | 18.5 Ų | 18.5 | 10% | 0.097 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 155.6 | -179.9 | 54.8 | -59.7 | 0 | 0 | 0 | 109.1 | P305 I314 M322 R351 V354 | P305-H394 WeakPolarHBondContact CD-O 3.36Å; I314-H394 WeakPolarHBondContact CD1-CE1 3.49Å; M322-H394 PolarHBondContact SD-CD2 2.88Å; R351-H394 CarbonylContact O-C 3.48Å; R351-H394 WeakPolarHBondContact O-CA 3.48Å; R351-H394 WeakPolarHBondContact O-CB 3.43Å; V354-H394 HydrophobicContact CG2-CB 4.31Å |
| 395 | S | 91.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 3% | 0.028 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 161.3 | 169 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | N268 T304 V350 R351 P389 | N268-S395 PolarHBondContact OD1-OG 3.48Å; T304-S395 CarbonylContact O-C 3.59Å; T304-S395 VanDerWaalsContact O-CA 3.31Å; T304-S395 WeakPolarHBondContact O-CA 3.15Å; V350-S395 WeakPolarHBondContact CA-O 3.37Å; R351-S395 WeakPolarHBondContact CB-OG 3.44Å; R351-S395 PolarHBondContact N-O 3.03Å; R351-S395 PolarHBondContact O-N 3.33Å; P389-S395 WeakPolarHBondContact CD-OG 3.39Å; P389-S395 WeakPolarHBondContact CG-OG 3.44Å |
| 396 | L | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 122.8 | 173.7 | 170.9 | 63.4 | 0 | 0 | 0 | 107.8 | T304 M322 F323 A326 L348 M349 V350 | T304-L396 PolarHBondContact N-O 3.39Å; T304-L396 PolarHBondContact O-N 3.2Å; M322-L396 HydrophobicContact CE-CB 3.71Å; M322-L396 HydrophobicContact CE-CD2 4.38Å; M322-L396 HydrophobicContact CG-CB 3.99Å; M322-L396 HydrophobicContact CG-CD2 4.36Å; M322-L396 HydrophobicContact SD-CB 3.68Å; F323-L396 HydrophobicContact CB-CD2 4.46Å; F323-L396 HydrophobicContact CD1-CD2 3.8Å; F323-L396 HydrophobicContact CD2-CD2 4.42Å; F323-L396 HydrophobicContact CE1-CD1 4.42Å; F323-L396 HydrophobicContact CE1-CD2 4.11Å; F323-L396 HydrophobicContact CG-CD2 3.97Å; A326-L396 HydrophobicContact CB-CD2 3.62Å; A326-L396 HydrophobicContact CB-CG 4.24Å; L348-L396 HydrophobicContact CB-CD1 3.87Å; L348-L396 HydrophobicContact CD2-CD1 4Å; M349-L396 WeakPolarHBondContact O-CA 3.31Å; V350-L396 HydrophobicContact CG2-CD1 3.69Å |
| 397 | L | 96.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.1 | 162.9 | 163.8 | 61.1 | 0 | 0 | 0 | 107.6 | L265 N268 L269 S302 M349 L399 | L265-L397 HydrophobicContact CD1-CD1 3.25Å; L265-L397 HydrophobicContact CD1-CD2 3.94Å; L265-L397 HydrophobicContact CD1-CG 4.24Å; N268-L397 HydrophobicContact CB-CB 3.8Å; N268-L397 HydrophobicContact CB-CD2 3.81Å; N268-L397 HydrophobicContact CB-CG 4.44Å; L269-L397 HydrophobicContact CB-CD2 3.95Å; L269-L397 HydrophobicContact CD1-CD2 4.42Å; S302-L397 WeakPolarHBondContact O-CA 3.43Å; S302-L397 VanDerWaalsContact O-CD1 3.25Å; S302-L397 WeakPolarHBondContact O-CD1 3.3Å; M349-L397 HydrophobicContact CB-CB 4.21Å; M349-L397 PolarHBondContact N-O 3.09Å; M349-L397 PolarHBondContact O-N 3.47Å; M349-L397 HydrophobicContact SD-CD2 3.99Å; L397-L399 HydrophobicContact CD1-CD2 3.85Å; L397-L399 HydrophobicContact CD1-CG 4.45Å; L397-L399 HydrophobicContact CD2-CD2 4.29Å; L397-L399 HydrophobicContact CG-CD2 4.15Å; L397-L399 HydrophobicContact CG-CG 4.3Å |
| 398 | A | 97 | Very high | 91.6 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110 | S301 S302 A326 A347 L348 | S301-A398 WeakPolarHBondContact CA-O 3.37Å; S302-A398 PolarHBondContact N-O 2.9Å; S302-A398 PolarHBondContact O-N 3.3Å; S302-A398 VanDerWaalsContact O-N 3.08Å; S302-A398 WeakPolarHBondContact OG-CB 3.33Å; A326-A398 HydrophobicContact CB-CB 4.28Å; A347-A398 CarbonylContact O-C 3.57Å; A347-A398 VanDerWaalsContact O-CA 3.29Å; A347-A398 WeakPolarHBondContact O-CA 3.43Å; L348-A398 HydrophobicContact CD2-CB 3.76Å |
| 399 | L | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 118.6 | 170.6 | -56.7 | 175.4 | 0 | 0 | 0 | 107.5 | L207 L269 I286 L290 L299 S301 C346 A347 M349 L397 | L207-L399 HydrophobicContact CD2-CD2 4.13Å; L269-L399 HydrophobicContact CD1-CD1 3.58Å; I286-L399 HydrophobicContact CD1-CD1 4.24Å; I286-L399 HydrophobicContact CG2-CD1 3.91Å; L290-L399 HydrophobicContact CD1-CB 3.94Å; L290-L399 HydrophobicContact CD1-CD1 4.42Å; L299-L399 HydrophobicContact CB-CB 4.5Å; L299-L399 HydrophobicContact CD1-CB 4.41Å; S301-L399 VanDerWaalsContact OG-CD2 3.29Å; S301-L399 WeakPolarHBondContact OG-CD2 3.21Å; C346-L399 CarbonylContact C-O 3.55Å; C346-L399 VanDerWaalsContact CA-O 3.3Å; C346-L399 WeakPolarHBondContact CA-O 3.29Å; A347-L399 HydrophobicContact CB-CB 4.33Å; A347-L399 PolarHBondContact N-O 2.92Å; A347-L399 PolarHBondContact O-N 3Å; M349-L399 HydrophobicContact SD-CD1 4.18Å; L397-L399 HydrophobicContact CD1-CD2 3.85Å; L397-L399 HydrophobicContact CD1-CG 4.45Å; L397-L399 HydrophobicContact CD2-CD2 4.29Å; L397-L399 HydrophobicContact CG-CD2 4.15Å; L397-L399 HydrophobicContact CG-CG 4.3Å |
| 400 | A | 96.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.033 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V300 Y343 N402 | V300-A400 PolarHBondContact N-O 3.15Å; V300-A400 PolarHBondContact O-N 3.48Å; Y343-A400 HydrophobicContact CD1-CB 4.03Å; Y343-A400 HydrophobicContact CE1-CB 3.72Å; A400-N402 HydrophobicContact CB-CB 4.25Å; A400-N402 PolarHBondContact O-N 2.97Å |
| 401 | N | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 106.1 | 161 | -167.4 | -17.1 | 0 | 0 | 0 | 107.6 | L290 L296 L299 L344 A345 | L290-N401 VanDerWaalsContact O-CB 3.25Å; L290-N401 WeakPolarHBondContact O-CB 3.48Å; L290-N401 PolarHBondContact O-ND2 3.04Å; L296-N401 PolarHBondContact O-ND2 3.45Å; L299-N401 HydrophobicContact CD2-CB 3.62Å; L344-N401 HydrophobicContact CB-CB 4.09Å; L344-N401 PolarHBondContact N-O 3.49Å; A345-N401 PolarHBondContact N-O 2.92Å; A345-N401 PolarHBondContact O-N 3.22Å |
| 402 | N | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 143.7 | -166.7 | -172.4 | -56.1 | 0 | 0 | 0 | 110.8 | P338 S341 L342 Y343 A400 C404 V405 | P338-N402 PolarHBondContact O-ND2 3.14Å; P338-N402 VanDerWaalsContact O-ND2 3.14Å; S341-N402 WeakPolarHBondContact CB-OD1 3.48Å; L342-N402 WeakPolarHBondContact O-CA 3.48Å; L342-N402 PolarHBondContact O-OD1 2.95Å; Y343-N402 HydrophobicContact CD1-CB 4.33Å; Y343-N402 WeakPolarHBondContact CD1-ND2 3.47Å; Y343-N402 WeakPolarHBondContact CD2-ND2 3.22Å; Y343-N402 VanDerWaalsContact CE1-ND2 3.31Å; Y343-N402 WeakPolarHBondContact CE1-ND2 3.45Å; Y343-N402 WeakPolarHBondContact CE2-ND2 3.49Å; Y343-N402 VanDerWaalsContact CG-ND2 3.34Å; A400-N402 HydrophobicContact CB-CB 4.25Å; A400-N402 PolarHBondContact O-N 2.97Å; N402-C404 PolarHBondContact O-N 3.5Å; N402-C404 VanDerWaalsContact OD1-CB 3.24Å; N402-C404 WeakPolarHBondContact OD1-CB 3.4Å; N402-C404 PolarHBondContact OD1-N 3.5Å; N402-C404 PolarHBondContact OD1-SG 2.89Å; N402-C404 VanDerWaalsContact OD1-SG 3.36Å; N402-V405 PolarHBondContact O-N 3.36Å |
| 403 | T | 96.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -62.9 | -8.6 | 177.9 | 62 | 0 | 0 | 0 | 0 | 113.8 | L342 L344 V405 K406 Y454 L457 D458 | L342-T403 HydrophobicContact CB-CG2 3.95Å; L342-T403 PolarHBondContact N-OG1 2.79Å; L342-T403 PolarHBondContact O-N 3.49Å; L344-T403 HydrophobicContact CD1-CG2 4.25Å; T403-V405 PolarHBondContact O-N 3.02Å; T403-K406 VanDerWaalsContact O-CB 3.27Å; T403-K406 WeakPolarHBondContact O-CB 3.48Å; T403-K406 PolarHBondContact O-N 3.17Å; T403-Y454 HydrophobicContact CG2-CD1 4.14Å; T403-L457 HydrophobicContact CG2-CB 4.09Å; T403-D458 HydrophobicContact CG2-CB 4.28Å; T403-D458 PolarHBondContact OG1-OD1 3.09Å; T403-D458 VanDerWaalsContact OG1-OD1 3.12Å |
| 404 | C | 94.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -66.7 | -9.7 | 178.4 | 72.1 | 0 | 0 | 0 | 0 | 115 | A336 D337 S341 N402 K406 P407 | A336-C404 HydrophobicContact CB-CB 3.97Å; A336-C404 VanDerWaalsContact CB-O 3.28Å; A336-C404 WeakPolarHBondContact CB-O 3.28Å; D337-C404 WeakPolarHBondContact O-CB 3.45Å; S341-C404 WeakPolarHBondContact OG-CB 3.35Å; N402-C404 PolarHBondContact O-N 3.5Å; N402-C404 VanDerWaalsContact OD1-CB 3.24Å; N402-C404 WeakPolarHBondContact OD1-CB 3.4Å; N402-C404 PolarHBondContact OD1-N 3.5Å; N402-C404 PolarHBondContact OD1-SG 2.89Å; N402-C404 VanDerWaalsContact OD1-SG 3.36Å; C404-K406 PolarHBondContact O-N 3.41Å; C404-P407 WeakPolarHBondContact O-CD 3.34Å |
| 405 | V | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -68.4 | -23.7 | 171.8 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | V300 L334 N402 T403 T408 F409 Y454 | V300-V405 HydrophobicContact CG2-CG1 3.28Å; L334-V405 HydrophobicContact CD2-CB 4.46Å; L334-V405 HydrophobicContact CD2-CG1 4.01Å; N402-V405 PolarHBondContact O-N 3.36Å; T403-V405 PolarHBondContact O-N 3.02Å; V405-T408 WeakPolarHBondContact O-CB 3.3Å; V405-T408 PolarHBondContact O-N 3Å; V405-F409 HydrophobicContact CB-CD2 4.45Å; V405-F409 HydrophobicContact CB-CE1 4.46Å; V405-F409 HydrophobicContact CB-CE2 3.89Å; V405-F409 HydrophobicContact CB-CZ 3.89Å; V405-F409 HydrophobicContact CG2-CD2 4.19Å; V405-F409 HydrophobicContact CG2-CE2 3.62Å; V405-F409 HydrophobicContact CG2-CZ 4.1Å; V405-F409 PolarHBondContact O-N 3.21Å; V405-Y454 HydrophobicContact CG2-CD1 4.26Å; V405-Y454 HydrophobicContact CG2-CD2 3.97Å; V405-Y454 HydrophobicContact CG2-CE1 3.88Å; V405-Y454 HydrophobicContact CG2-CE2 3.56Å; V405-Y454 HydrophobicContact CG2-CG 4.3Å |
| 406 | K | 93.6 | Very high | 95.4 | Very high | 29 Ų | 29 | 22.9 Ų | 22.9 | 13% | 0.126 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -54.1 | -48 | -173.4 | 173.3 | -178.1 | 69.6 | -172.9 | 0 | 114.5 | T403 C404 T408 F409 M410 I451 N455 D458 | T403-K406 VanDerWaalsContact O-CB 3.27Å; T403-K406 WeakPolarHBondContact O-CB 3.48Å; T403-K406 PolarHBondContact O-N 3.17Å; C404-K406 PolarHBondContact O-N 3.41Å; K406-T408 VanDerWaalsContact C-N 3.28Å; K406-T408 PolarHBondContact O-N 3.27Å; K406-F409 PolarHBondContact O-N 3.36Å; K406-F409 VanDerWaalsContact O-N 3.16Å; K406-M410 HydrophobicContact CD-CE 3.67Å; K406-M410 HydrophobicContact CD-SD 4.36Å; K406-M410 HydrophobicContact CG-CE 3.65Å; K406-M410 HydrophobicContact CG-CG 4.2Å; K406-M410 HydrophobicContact CG-SD 3.9Å; K406-M410 WeakPolarHBondContact O-CG 3.4Å; K406-M410 PolarHBondContact O-N 3.43Å; K406-I451 HydrophobicContact CG-CG2 4.4Å; K406-N455 WeakPolarHBondContact CD-OD1 3.43Å; K406-N455 WeakPolarHBondContact CE-OD1 3.42Å; K406-N455 PolarHBondContact NZ-OD1 3.12Å; K406-D458 IonicContact NZ-OD2 3.83Å; K406-D458 PolarHBondContact NZ-OD2 2.99Å |
| 407 | P | 93.4 | Very high | 95.5 | Very high | 69 Ų | 69 | 25.6 Ų | 25.6 | 45% | 0.448 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -58.7 | -39.1 | 179.8 | -24 | 36.7 | 0 | 0 | 0 | 112.6 | C404 F409 M410 E411 | C404-P407 WeakPolarHBondContact O-CD 3.34Å; P407-F409 PolarHBondContact O-N 3.03Å; P407-M410 PolarHBondContact O-N 2.91Å; P407-E411 WeakPolarHBondContact O-CB 3.48Å; P407-E411 PolarHBondContact O-N 2.91Å |
| 408 | T | 93.4 | Very high | 95.4 | Very high | 16 Ų | 16 | 32.1 Ų | 32.1 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 176 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | L334 V405 K406 E411 L412 | L334-T408 HydrophobicContact CD1-CG2 3.95Å; V405-T408 WeakPolarHBondContact O-CB 3.3Å; V405-T408 PolarHBondContact O-N 3Å; K406-T408 VanDerWaalsContact C-N 3.28Å; K406-T408 PolarHBondContact O-N 3.27Å; T408-E411 PolarHBondContact O-N 3.09Å; T408-L412 WeakPolarHBondContact O-CB 3.28Å; T408-L412 PolarHBondContact O-N 3.3Å |
| 409 | F | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.8 | -39.2 | 178.4 | -62.9 | -12.4 | 0 | 0 | 0 | 112.5 | M196 Y298 V405 K406 P407 L412 K413 L447 L450 I451 Y454 | M196-F409 HydrophobicContact CE-CD1 3.52Å; M196-F409 HydrophobicContact CE-CD2 3.79Å; M196-F409 HydrophobicContact CE-CE1 3.34Å; M196-F409 HydrophobicContact CE-CE2 3.62Å; M196-F409 HydrophobicContact CE-CG 3.76Å; M196-F409 HydrophobicContact CE-CZ 3.4Å; M196-F409 HydrophobicContact SD-CD1 4.23Å; M196-F409 HydrophobicContact SD-CE1 4.36Å; Y298-F409 HydrophobicContact CD1-CE1 4.47Å; Y298-F409 AromaticContact CD1-CZ 3.75Å; Y298-F409 HydrophobicContact CD1-CZ 3.75Å; Y298-F409 HydrophobicContact CD2-CE2 4.21Å; Y298-F409 HydrophobicContact CD2-CZ 4.01Å; Y298-F409 HydrophobicContact CE1-CZ 4.06Å; Y298-F409 HydrophobicContact CE2-CZ 4.3Å; Y298-F409 HydrophobicContact CG-CE2 4.31Å; Y298-F409 AromaticContact CG-CZ 3.73Å; Y298-F409 HydrophobicContact CG-CZ 3.73Å; V405-F409 HydrophobicContact CB-CD2 4.45Å; V405-F409 HydrophobicContact CB-CE1 4.46Å; V405-F409 HydrophobicContact CB-CE2 3.89Å; V405-F409 HydrophobicContact CB-CZ 3.89Å; V405-F409 HydrophobicContact CG2-CD2 4.19Å; V405-F409 HydrophobicContact CG2-CE2 3.62Å; V405-F409 HydrophobicContact CG2-CZ 4.1Å; V405-F409 PolarHBondContact O-N 3.21Å; K406-F409 PolarHBondContact O-N 3.36Å; K406-F409 VanDerWaalsContact O-N 3.16Å; P407-F409 PolarHBondContact O-N 3.03Å; F409-L412 PolarHBondContact O-N 3.25Å; F409-K413 WeakPolarHBondContact O-CB 3.28Å; F409-K413 PolarHBondContact O-N 3.47Å; F409-L447 HydrophobicContact CB-CD1 3.93Å; F409-L447 HydrophobicContact CD2-CD1 4.5Å; F409-L447 HydrophobicContact CG-CD1 4.21Å; F409-L450 HydrophobicContact CD2-CD2 3.97Å; F409-L450 HydrophobicContact CE2-CD2 3.68Å; F409-L450 HydrophobicContact CE2-CG 4.41Å; F409-L450 HydrophobicContact CZ-CD2 4.47Å; F409-I451 HydrophobicContact CB-CD1 3.96Å; F409-I451 HydrophobicContact CB-CG1 3.79Å; F409-Y454 HydrophobicContact CE2-CD2 4.5Å; F409-Y454 AromaticContact CE2-CE2 3.99Å; F409-Y454 HydrophobicContact CE2-CE2 3.99Å |
| 410 | M | 95.6 | Very high | 95.2 | Very high | 78 Ų | 78 | 35.8 Ų | 35.8 | 38% | 0.384 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 174.9 | -74 | -178.8 | 168.2 | 0 | 0 | 111.9 | K406 P407 K413 E414 I451 | K406-M410 HydrophobicContact CD-CE 3.67Å; K406-M410 HydrophobicContact CD-SD 4.36Å; K406-M410 HydrophobicContact CG-CE 3.65Å; K406-M410 HydrophobicContact CG-CG 4.2Å; K406-M410 HydrophobicContact CG-SD 3.9Å; K406-M410 WeakPolarHBondContact O-CG 3.4Å; K406-M410 PolarHBondContact O-N 3.43Å; P407-M410 PolarHBondContact O-N 2.91Å; M410-K413 PolarHBondContact O-N 3.07Å; M410-E414 WeakPolarHBondContact O-CB 3.31Å; M410-E414 PolarHBondContact O-N 3.28Å; M410-I451 HydrophobicContact CE-CG2 3.55Å; M410-I451 HydrophobicContact CG-CD1 4.17Å; M410-I451 HydrophobicContact CG-CG2 4.07Å |
| 411 | E | 94.3 | Very high | 95.2 | Very high | 64 Ų | 64 | 43.4 Ų | 43.4 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.9 | -177.1 | -178 | 169 | 0 | 0 | 111.6 | R335 P407 T408 K413 E414 R415 | R335-E411 IonicContact CZ-OE1 2.75Å; R335-E411 IonicContact CZ-OE2 3.55Å; R335-E411 IonicContact NH2-OE1 3.62Å; R335-E411 PolarHBondContact NH2-OE1 2.76Å; R335-E411 IonicContact NH2-OE2 3.88Å; R335-E411 PolarHBondContact NH2-OE2 2.93Å; P407-E411 WeakPolarHBondContact O-CB 3.48Å; P407-E411 PolarHBondContact O-N 2.91Å; T408-E411 PolarHBondContact O-N 3.09Å; E411-K413 PolarHBondContact O-N 2.98Å; E411-E414 PolarHBondContact O-N 3.43Å; E411-R415 WeakPolarHBondContact O-CG 3.47Å; E411-R415 PolarHBondContact O-N 3.05Å |
| 412 | L | 94.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 176.2 | 179.4 | 60.3 | 0 | 0 | 0 | 111.4 | Y178 P189 I193 M196 T408 F409 E414 R415 F416 | Y178-L412 HydrophobicContact CE1-CD2 4.17Å; P189-L412 HydrophobicContact CB-CD1 4.41Å; I193-L412 HydrophobicContact CD1-CG 4.41Å; I193-L412 HydrophobicContact CG1-CD1 4.5Å; I193-L412 HydrophobicContact CG1-CD2 4.1Å; I193-L412 HydrophobicContact CG1-CG 3.91Å; M196-L412 HydrophobicContact SD-CD2 4.27Å; T408-L412 WeakPolarHBondContact O-CB 3.28Å; T408-L412 PolarHBondContact O-N 3.3Å; F409-L412 PolarHBondContact O-N 3.25Å; L412-E414 VanDerWaalsContact C-N 3.31Å; L412-E414 PolarHBondContact O-N 3.01Å; L412-R415 PolarHBondContact O-N 3.23Å; L412-F416 PolarHBondContact O-N 3.18Å |
| 413 | K | 96.2 | Very high | 95.1 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 29% | 0.287 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 174.3 | -178.3 | 177.3 | 169.4 | 178.5 | 0 | 111.7 | F409 M410 E411 F416 M417 L447 S448 I451 | F409-K413 WeakPolarHBondContact O-CB 3.28Å; F409-K413 PolarHBondContact O-N 3.47Å; M410-K413 PolarHBondContact O-N 3.07Å; E411-K413 PolarHBondContact O-N 2.98Å; K413-F416 PolarHBondContact O-N 3.29Å; K413-M417 HydrophobicContact CG-CG 4.4Å; K413-M417 WeakPolarHBondContact O-CB 3.47Å; K413-M417 VanDerWaalsContact O-CG 3.25Å; K413-M417 WeakPolarHBondContact O-CG 3.37Å; K413-M417 PolarHBondContact O-N 3.43Å; K413-L447 HydrophobicContact CB-CD2 3.91Å; K413-S448 WeakPolarHBondContact CE-OG 3.29Å; K413-S448 PolarHBondContact NZ-OG 3.07Å; K413-I451 HydrophobicContact CD-CD1 4.16Å |
| 414 | E | 95.9 | Very high | 95 | Very high | 106 Ų | 106 | 59 Ų | 59 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 179.5 | -162 | -156.3 | 130 | 0 | 0 | 111.6 | M410 E411 L412 F416 M417 R418 | M410-E414 WeakPolarHBondContact O-CB 3.31Å; M410-E414 PolarHBondContact O-N 3.28Å; E411-E414 PolarHBondContact O-N 3.43Å; L412-E414 VanDerWaalsContact C-N 3.31Å; L412-E414 PolarHBondContact O-N 3.01Å; E414-F416 VanDerWaalsContact C-N 3.32Å; E414-F416 PolarHBondContact O-N 2.86Å; E414-M417 PolarHBondContact O-N 3.01Å; E414-M417 VanDerWaalsContact O-N 3.14Å; E414-R418 WeakPolarHBondContact O-CG 3.28Å; E414-R418 PolarHBondContact O-N 2.87Å; E414-R418 IonicContact OE1-CZ 3.6Å; E414-R418 VanDerWaalsContact OE1-CZ 3.25Å; E414-R418 IonicContact OE1-NE 3.55Å; E414-R418 PolarHBondContact OE1-NE 2.78Å; E414-R418 IonicContact OE1-NH2 3.59Å; E414-R418 PolarHBondContact OE1-NH2 3.43Å; E414-R418 IonicContact OE2-NH2 3.11Å |
| 415 | R | 94.3 | Very high | 95 | Very high | 35 Ų | 35 | 62.1 Ų | 62.1 | 13% | 0.132 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.6 | -45.2 | 176.9 | -71.9 | 173.8 | 67.1 | -173.8 | 4.8 | 111.5 | P179 S180 P189 E411 L412 R418 L419 | P179-R415 PolarHBondContact O-NH1 3.46Å; S180-R415 PolarHBondContact O-NH1 3.43Å; S180-R415 PolarHBondContact O-NH2 3.08Å; P189-R415 HydrophobicContact CB-CB 4.06Å; P189-R415 HydrophobicContact CG-CB 3.88Å; E411-R415 WeakPolarHBondContact O-CG 3.47Å; E411-R415 PolarHBondContact O-N 3.05Å; L412-R415 PolarHBondContact O-N 3.23Å; R415-R418 PolarHBondContact O-N 3.24Å; R415-L419 PolarHBondContact O-N 3.07Å |
| 416 | F | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.1 | -50.9 | 173.5 | 173.7 | -79 | 0 | 0 | 0 | 111.6 | P189 Y190 I193 L412 K413 E414 R418 L419 Y420 F440 V444 | P189-F416 HydrophobicContact CB-CB 4.14Å; Y190-F416 AromaticContact CD1-CD2 3.53Å; Y190-F416 HydrophobicContact CD1-CD2 3.53Å; Y190-F416 AromaticContact CD1-CE2 3.36Å; Y190-F416 HydrophobicContact CD1-CE2 3.36Å; Y190-F416 HydrophobicContact CD1-CG 4.43Å; Y190-F416 HydrophobicContact CD1-CZ 4.06Å; Y190-F416 HydrophobicContact CE1-CD2 4.05Å; Y190-F416 AromaticContact CE1-CE2 3.86Å; Y190-F416 HydrophobicContact CE1-CE2 3.86Å; Y190-F416 HydrophobicContact CE1-CZ 4.12Å; Y190-F416 HydrophobicContact CG-CD2 4.5Å; I193-F416 HydrophobicContact CB-CD2 3.9Å; I193-F416 HydrophobicContact CB-CE2 4.18Å; I193-F416 HydrophobicContact CD1-CB 3.27Å; I193-F416 HydrophobicContact CD1-CD1 4.16Å; I193-F416 HydrophobicContact CD1-CD2 3.56Å; I193-F416 HydrophobicContact CD1-CE2 4.35Å; I193-F416 HydrophobicContact CD1-CG 3.43Å; I193-F416 VanDerWaalsContact CD1-CG 3.43Å; I193-F416 HydrophobicContact CG1-CB 4.2Å; I193-F416 HydrophobicContact CG1-CD2 4Å; I193-F416 HydrophobicContact CG1-CG 4.33Å; I193-F416 HydrophobicContact CG2-CD2 4.26Å; I193-F416 HydrophobicContact CG2-CE2 4.16Å; L412-F416 PolarHBondContact O-N 3.18Å; K413-F416 PolarHBondContact O-N 3.29Å; E414-F416 VanDerWaalsContact C-N 3.32Å; E414-F416 PolarHBondContact O-N 2.86Å; F416-R418 PolarHBondContact O-N 3.32Å; F416-L419 PolarHBondContact O-N 2.86Å; F416-Y420 HydrophobicContact CE1-CD1 4.06Å; F416-Y420 HydrophobicContact CE1-CD2 4.08Å; F416-Y420 AromaticContact CE1-CG 3.63Å; F416-Y420 HydrophobicContact CE1-CG 3.63Å; F416-Y420 HydrophobicContact CZ-CD2 4.01Å; F416-Y420 HydrophobicContact CZ-CG 4.05Å; F416-Y420 WeakPolarHBondContact O-CB 3.44Å; F416-Y420 PolarHBondContact O-N 3.34Å; F416-F440 AromaticContact CE2-CD1 3.89Å; F416-F440 HydrophobicContact CE2-CD1 3.89Å; F416-F440 HydrophobicContact CZ-CB 4.17Å; F416-F440 AromaticContact CZ-CD1 3.89Å; F416-F440 HydrophobicContact CZ-CD1 3.89Å; F416-V444 HydrophobicContact CD1-CG2 3.63Å; F416-V444 HydrophobicContact CE1-CG2 3.15Å; F416-V444 HydrophobicContact CE2-CG2 4.09Å; F416-V444 HydrophobicContact CG-CG2 4.37Å; F416-V444 HydrophobicContact CZ-CG2 3.4Å; F416-V444 VanDerWaalsContact CZ-CG2 3.4Å |
| 417 | M | 97 | Very high | 94.9 | Very high | 57 Ų | 57 | 65.7 Ų | 65.7 | 28% | 0.281 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -31.6 | -175.4 | -72.7 | -59.9 | -68 | 0 | 0 | 111.9 | K413 E414 L419 K421 V444 | K413-M417 HydrophobicContact CG-CG 4.4Å; K413-M417 WeakPolarHBondContact O-CB 3.47Å; K413-M417 VanDerWaalsContact O-CG 3.25Å; K413-M417 WeakPolarHBondContact O-CG 3.37Å; K413-M417 PolarHBondContact O-N 3.43Å; E414-M417 PolarHBondContact O-N 3.01Å; E414-M417 VanDerWaalsContact O-N 3.14Å; M417-L419 VanDerWaalsContact C-N 3.34Å; M417-K421 HydrophobicContact CE-CG 4.42Å; M417-K421 VanDerWaalsContact O-CB 3.27Å; M417-K421 WeakPolarHBondContact O-CB 3.3Å; M417-K421 WeakPolarHBondContact O-CG 3.43Å; M417-K421 PolarHBondContact O-N 3.31Å; M417-V444 HydrophobicContact SD-CG1 4.39Å |
| 418 | R | 94.6 | Very high | 94.9 | Very high | 138 Ų | 138 | 66.4 Ų | 66.4 | 52% | 0.521 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 173.3 | -70.4 | -173.8 | -129.3 | 146.4 | -0.6 | 112.2 | E414 R415 F416 | E414-R418 WeakPolarHBondContact O-CG 3.28Å; E414-R418 PolarHBondContact O-N 2.87Å; E414-R418 IonicContact OE1-CZ 3.6Å; E414-R418 VanDerWaalsContact OE1-CZ 3.25Å; E414-R418 IonicContact OE1-NE 3.55Å; E414-R418 PolarHBondContact OE1-NE 2.78Å; E414-R418 IonicContact OE1-NH2 3.59Å; E414-R418 PolarHBondContact OE1-NH2 3.43Å; E414-R418 IonicContact OE2-NH2 3.11Å; R415-R418 PolarHBondContact O-N 3.24Å; F416-R418 PolarHBondContact O-N 3.32Å |
| 419 | L | 94.3 | Very high | 95.1 | Very high | 32 Ų | 32 | 65.7 Ų | 65.7 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.4 | -47.6 | 176.6 | -64.5 | 174.2 | 0 | 0 | 0 | 111.3 | I186 P189 Y190 R415 F416 M417 K421 K422 K423 A424 | I186-L419 HydrophobicContact CG2-CD2 4.38Å; I186-L419 WeakPolarHBondContact O-CD1 3.41Å; P189-L419 HydrophobicContact CB-CD1 4.21Å; P189-L419 HydrophobicContact CG-CD1 3.86Å; Y190-L419 HydrophobicContact CD2-CD1 4.44Å; Y190-L419 HydrophobicContact CE1-CB 4.31Å; Y190-L419 HydrophobicContact CE2-CB 3.98Å; Y190-L419 HydrophobicContact CE2-CD1 4.24Å; Y190-L419 PolarHBondContact OH-O 2.88Å; R415-L419 PolarHBondContact O-N 3.07Å; F416-L419 PolarHBondContact O-N 2.86Å; M417-L419 VanDerWaalsContact C-N 3.34Å; L419-K421 PolarHBondContact O-N 3.23Å; L419-K422 CarbonylContact O-C 3.32Å; L419-K422 PolarHBondContact O-N 3.21Å; L419-K422 VanDerWaalsContact O-N 3.12Å; L419-K423 PolarHBondContact O-N 3.32Å; L419-A424 HydrophobicContact CD2-CB 4.31Å; L419-A424 PolarHBondContact O-N 2.83Å; L419-A424 VanDerWaalsContact O-N 3.12Å |
| 420 | Y | 96.3 | Very high | 95.1 | Very high | 47 Ų | 47 | 68.6 Ų | 68.6 | 18% | 0.184 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | -173.7 | -168.8 | -110.1 | 0 | 0 | 0 | 112.6 | Y190 F416 K422 K423 L426 F440 | Y190-Y420 AromaticContact CE1-CD2 3.99Å; Y190-Y420 HydrophobicContact CE1-CD2 3.99Å; Y190-Y420 VanDerWaalsContact OH-CA 3.3Å; Y190-Y420 WeakPolarHBondContact OH-CA 3.41Å; Y190-Y420 PolarHBondContact OH-N 2.77Å; F416-Y420 HydrophobicContact CE1-CD1 4.06Å; F416-Y420 HydrophobicContact CE1-CD2 4.08Å; F416-Y420 AromaticContact CE1-CG 3.63Å; F416-Y420 HydrophobicContact CE1-CG 3.63Å; F416-Y420 HydrophobicContact CZ-CD2 4.01Å; F416-Y420 HydrophobicContact CZ-CG 4.05Å; F416-Y420 WeakPolarHBondContact O-CB 3.44Å; F416-Y420 PolarHBondContact O-N 3.34Å; Y420-K422 PolarHBondContact O-N 3.47Å; Y420-K423 PolarHBondContact O-N 3.35Å; Y420-L426 HydrophobicContact CD2-CD1 4.25Å; Y420-L426 HydrophobicContact CE2-CD1 4.02Å; Y420-L426 HydrophobicContact CE2-CD2 4.21Å; Y420-F440 HydrophobicContact CD2-CB 4.46Å; Y420-F440 HydrophobicContact CE2-CB 3.74Å; Y420-F440 HydrophobicContact CE2-CD1 4.44Å; Y420-F440 HydrophobicContact CE2-CG 4.08Å |
| 421 | K | 95.8 | Very high | 95.1 | Very high | 164 Ų | 164 | 72 Ų | 72 | 71% | 0.713 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.8 | 175.4 | -76.1 | 178 | -179 | -176.8 | 0 | 113 | M417 L419 | M417-K421 HydrophobicContact CE-CG 4.42Å; M417-K421 VanDerWaalsContact O-CB 3.27Å; M417-K421 WeakPolarHBondContact O-CB 3.3Å; M417-K421 WeakPolarHBondContact O-CG 3.43Å; M417-K421 PolarHBondContact O-N 3.31Å; L419-K421 PolarHBondContact O-N 3.23Å |
| 422 | K | 95.9 | Very high | 95.1 | Very high | 174 Ų | 174 | 69.7 Ų | 69.7 | 76% | 0.757 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -0.8 | 177.5 | -65.6 | -176.7 | 178.1 | -177.6 | 0 | 112.8 | L419 Y420 A424 | L419-K422 CarbonylContact O-C 3.32Å; L419-K422 PolarHBondContact O-N 3.21Å; L419-K422 VanDerWaalsContact O-N 3.12Å; Y420-K422 PolarHBondContact O-N 3.47Å; K422-A424 HydrophobicContact CB-CB 4.38Å; K422-A424 PolarHBondContact O-N 3.27Å |
| 423 | K | 94.6 | Very high | 95 | Very high | 122 Ų | 122 | 78 Ų | 78 | 53% | 0.53 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 29.2 | -168.7 | -60.2 | -163.8 | 171.2 | -145 | 0 | 113 | L419 Y420 H425 L426 E437 | L419-K423 PolarHBondContact O-N 3.32Å; Y420-K423 PolarHBondContact O-N 3.35Å; K423-H425 PolarHBondContact O-N 2.81Å; K423-L426 HydrophobicContact CB-CD2 4.3Å; K423-L426 HydrophobicContact CD-CD2 4.37Å; K423-L426 HydrophobicContact CG-CD2 4.22Å; K423-E437 IonicContact NZ-OE1 2.67Å; K423-E437 PolarHBondContact NZ-OE1 3.31Å; K423-E437 IonicContact NZ-OE2 3.7Å |
| 424 | A | 94.6 | Very high | 94.6 | Very high | 31 Ų | 31 | 77.1 Ų | 77.1 | 26% | 0.256 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 131.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y190 L419 K422 L426 | Y190-A424 WeakPolarHBondContact CE2-O 3.38Å; Y190-A424 PolarHBondContact OH-O 3.46Å; L419-A424 HydrophobicContact CD2-CB 4.31Å; L419-A424 PolarHBondContact O-N 2.83Å; L419-A424 VanDerWaalsContact O-N 3.12Å; K422-A424 HydrophobicContact CB-CB 4.38Å; K422-A424 PolarHBondContact O-N 3.27Å; A424-L426 PolarHBondContact O-N 3.49Å |
| 425 | H | 94.4 | Very high | 94.6 | Very high | 68 Ų | 68 | 72.5 Ų | 72.5 | 32% | 0.315 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 5.9 | -179.2 | -56.8 | -71.5 | 0 | 0 | 0 | 116.7 | T187 K423 H427 H428 | T187-H425 HydrophobicContact CG2-CB 3.66Å; K423-H425 PolarHBondContact O-N 2.81Å; H425-H427 VanDerWaalsContact C-N 3.3Å; H425-H427 PolarHBondContact O-N 3.02Å; H425-H428 AromaticContact ND1-CE1 3.85Å; H425-H428 WeakPolarHBondContact O-CB 3.38Å; H425-H428 PolarHBondContact O-N 3.43Å |
| 426 | L | 94.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 76.9 Ų | 76.9 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.4 | -37.4 | -176.6 | -175.5 | 64.4 | 0 | 0 | 0 | 112.2 | Y420 K423 A424 H428 Y429 L430 E437 F440 | Y420-L426 HydrophobicContact CD2-CD1 4.25Å; Y420-L426 HydrophobicContact CE2-CD1 4.02Å; Y420-L426 HydrophobicContact CE2-CD2 4.21Å; K423-L426 HydrophobicContact CB-CD2 4.3Å; K423-L426 HydrophobicContact CD-CD2 4.37Å; K423-L426 HydrophobicContact CG-CD2 4.22Å; A424-L426 PolarHBondContact O-N 3.49Å; L426-H428 PolarHBondContact O-N 2.97Å; L426-Y429 PolarHBondContact O-N 3.27Å; L426-L430 HydrophobicContact CD2-CD1 4.18Å; L426-L430 HydrophobicContact CG-CD1 3.9Å; L426-L430 HydrophobicContact CG-CG 4.2Å; L426-L430 PolarHBondContact O-N 3.48Å; L426-L430 VanDerWaalsContact O-N 3.17Å; L426-E437 HydrophobicContact CD2-CG 4.31Å; L426-F440 HydrophobicContact CD1-CD1 4.3Å; L426-F440 HydrophobicContact CD1-CD2 3.96Å; L426-F440 HydrophobicContact CD1-CE1 4.05Å; L426-F440 HydrophobicContact CD1-CE2 3.69Å; L426-F440 HydrophobicContact CD1-CG 4.25Å; L426-F440 HydrophobicContact CD1-CZ 3.74Å |
| 427 | H | 93.2 | Very high | 94.5 | Very high | 99 Ų | 99 | 80.5 Ų | 80.5 | 46% | 0.458 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.9 | -30.1 | 179.4 | 66.5 | -78.4 | 0 | 0 | 0 | 113.6 | H425 Y429 L430 Q431 | H425-H427 VanDerWaalsContact C-N 3.3Å; H425-H427 PolarHBondContact O-N 3.02Å; H427-Y429 PolarHBondContact O-N 3.49Å; H427-L430 PolarHBondContact O-N 2.99Å; H427-Q431 WeakPolarHBondContact O-CG 3.45Å; H427-Q431 PolarHBondContact O-N 2.9Å; H427-Q431 VanDerWaalsContact O-N 3.14Å |
| 428 | H | 93.9 | Very high | 94.4 | Very high | 84 Ų | 84 | 79.9 Ų | 79.9 | 39% | 0.389 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.2 | -27.8 | 175.4 | -65.1 | 173.1 | 0 | 0 | 0 | 112.3 | N108 H425 L426 | N108-H428 PolarHBondContact ND2-O 3.42Å; H425-H428 AromaticContact ND1-CE1 3.85Å; H425-H428 WeakPolarHBondContact O-CB 3.38Å; H425-H428 PolarHBondContact O-N 3.43Å; L426-H428 PolarHBondContact O-N 2.97Å |
| 429 | Y | 96.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -87.3 | -42.3 | 177.9 | -66.9 | -101.5 | 0 | 0 | 0 | 111.4 | N108 W109 A110 T187 Y190 N191 L194 L426 H427 Q431 V432 M435 F440 | N108-Y429 WeakPolarHBondContact OD1-CD1 3.22Å; N108-Y429 WeakPolarHBondContact OD1-CE1 3.47Å; W109-Y429 HydrophobicContact CB-CE1 4.25Å; A110-Y429 HydrophobicContact CB-CD1 3.88Å; T187-Y429 WeakPolarHBondContact CB-OH 3.28Å; T187-Y429 HydrophobicContact CG2-CE2 4.29Å; Y190-Y429 AromaticContact CD2-CE2 3.88Å; Y190-Y429 HydrophobicContact CD2-CE2 3.88Å; Y190-Y429 HydrophobicContact CG-CE2 4.34Å; N191-Y429 WeakPolarHBondContact OD1-CE1 3.36Å; N191-Y429 PolarHBondContact OD1-OH 3.33Å; L194-Y429 HydrophobicContact CD1-CD1 4.16Å; L194-Y429 HydrophobicContact CD1-CE1 4.15Å; L426-Y429 PolarHBondContact O-N 3.27Å; H427-Y429 PolarHBondContact O-N 3.49Å; Y429-Q431 PolarHBondContact O-N 2.89Å; Y429-V432 WeakPolarHBondContact O-CB 3.4Å; Y429-V432 PolarHBondContact O-N 3.4Å; Y429-M435 VanDerWaalsContact O-CB 3.25Å; Y429-M435 WeakPolarHBondContact O-CB 3.25Å; Y429-F440 AromaticContact CD1-CZ 3.9Å; Y429-F440 HydrophobicContact CD1-CZ 3.9Å; Y429-F440 HydrophobicContact CD2-CZ 4.28Å; Y429-F440 HydrophobicContact CG-CE1 4.44Å; Y429-F440 AromaticContact CG-CZ 3.66Å; Y429-F440 HydrophobicContact CG-CZ 3.66Å |
| 430 | L | 95.7 | Very high | 94.7 | Very high | 60 Ų | 60 | 72.6 Ų | 72.6 | 31% | 0.314 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.4 | -17.6 | -178 | -62.3 | 178.2 | 0 | 0 | 0 | 113.9 | L426 H427 E437 F440 | L426-L430 HydrophobicContact CD2-CD1 4.18Å; L426-L430 HydrophobicContact CG-CD1 3.9Å; L426-L430 HydrophobicContact CG-CG 4.2Å; L426-L430 PolarHBondContact O-N 3.48Å; L426-L430 VanDerWaalsContact O-N 3.17Å; H427-L430 PolarHBondContact O-N 2.99Å; L430-E437 HydrophobicContact CD1-CG 3.83Å; L430-E437 HydrophobicContact CD2-CG 4Å; L430-F440 HydrophobicContact CD2-CE2 4.4Å |
| 431 | Q | 94.5 | Very high | 94.7 | Very high | 149 Ų | 149 | 74.3 Ų | 74.3 | 70% | 0.696 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -17.6 | 171.6 | -76.2 | 170.4 | -6.2 | 0 | 0 | 112.8 | H427 Y429 | H427-Q431 WeakPolarHBondContact O-CG 3.45Å; H427-Q431 PolarHBondContact O-N 2.9Å; H427-Q431 VanDerWaalsContact O-N 3.14Å; Y429-Q431 PolarHBondContact O-N 2.89Å |
| 432 | V | 94.9 | Very high | 94.7 | Very high | 16 Ų | 16 | 71 Ų | 71 | 10% | 0.097 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -80.3 | 130.7 | 177.1 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | A110 V111 R114 V115 Y429 G434 M435 | A110-V432 HydrophobicContact CB-CB 3.89Å; A110-V432 HydrophobicContact CB-CG1 4.08Å; A110-V432 HydrophobicContact CB-CG2 3.83Å; V111-V432 HydrophobicContact CG2-CG2 3.82Å; R114-V432 HydrophobicContact CB-CG1 3.92Å; R114-V432 HydrophobicContact CG-CG1 4.47Å; V115-V432 HydrophobicContact CG2-CG1 3.62Å; Y429-V432 WeakPolarHBondContact O-CB 3.4Å; Y429-V432 PolarHBondContact O-N 3.4Å; V432-G434 PolarHBondContact O-N 3.42Å; V432-M435 HydrophobicContact CB-CG 4.17Å; V432-M435 HydrophobicContact CG1-CG 4.43Å; V432-M435 WeakPolarHBondContact O-CB 3.31Å; V432-M435 PolarHBondContact O-N 3.25Å; V432-M435 VanDerWaalsContact O-N 3.15Å |
| 433 | E | 91.4 | Very high | 94.8 | Very high | 182 Ų | 182 | 62.7 Ų | 62.7 | 85% | 0.85 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 134.7 | 178.5 | -168.9 | 175.8 | -179.9 | 0 | 0 | 111.5 | M435 | E433-M435 VanDerWaalsContact C-N 3.31Å; E433-M435 PolarHBondContact O-N 2.98Å |
| 434 | G | 88.4 | Confident | 95 | Very high | 48 Ų | 48 | 57.8 Ų | 57.8 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 7.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R114 V432 | R114-G434 PolarHBondContact NH2-O 2.91Å; V432-G434 PolarHBondContact O-N 3.42Å |
| 435 | M | 95.4 | Very high | 95.1 | Very high | 10 Ų | 10 | 60 Ų | 60 | 5% | 0.049 | 32% | 0.318 | C | S | . | . | trans | -102.1 | 122.6 | 169.4 | -72.3 | -61.1 | -64.9 | 0 | 0 | 112 | W109 A110 R114 L194 Y429 V432 E433 C439 F440 | W109-M435 HydrophobicContact CE3-CE 4.41Å; W109-M435 HydrophobicContact CE3-SD 4.41Å; W109-M435 HydrophobicContact CZ3-CE 4.16Å; W109-M435 HydrophobicContact CZ3-SD 3.82Å; A110-M435 HydrophobicContact CB-CE 4.24Å; A110-M435 HydrophobicContact CB-CG 3.47Å; A110-M435 VanDerWaalsContact CB-CG 3.47Å; A110-M435 HydrophobicContact CB-SD 3.99Å; R114-M435 HydrophobicContact CG-CG 4.15Å; R114-M435 HydrophobicContact CG-SD 4.12Å; L194-M435 HydrophobicContact CD1-CE 4.14Å; L194-M435 HydrophobicContact CD2-CE 4.36Å; Y429-M435 VanDerWaalsContact O-CB 3.25Å; Y429-M435 WeakPolarHBondContact O-CB 3.25Å; V432-M435 HydrophobicContact CB-CG 4.17Å; V432-M435 HydrophobicContact CG1-CG 4.43Å; V432-M435 WeakPolarHBondContact O-CB 3.31Å; V432-M435 PolarHBondContact O-N 3.25Å; V432-M435 VanDerWaalsContact O-N 3.15Å; E433-M435 VanDerWaalsContact C-N 3.31Å; E433-M435 PolarHBondContact O-N 2.98Å; M435-C439 HydrophobicContact CE-CB 4.23Å; M435-F440 HydrophobicContact CE-CE2 3.8Å; M435-F440 HydrophobicContact CE-CZ 4.09Å | ||
| 436 | E | 94.5 | Very high | 95.3 | Very high | 126 Ų | 126 | 58.1 Ų | 58.1 | 59% | 0.589 | 31% | 0.312 | S | S | * | . | trans | -121.8 | 162.3 | 176.8 | -66.8 | -178.8 | -179.4 | 0 | 0 | 111 | S438 C439 | E436-S438 WeakPolarHBondContact CB-OG 3.46Å; E436-S438 PolarHBondContact O-N 3.1Å; E436-S438 PolarHBondContact OE2-OG 3.22Å; E436-S438 VanDerWaalsContact OE2-OG 3.07Å; E436-C439 WeakPolarHBondContact O-CB 3.45Å; E436-C439 PolarHBondContact O-N 3.31Å; E436-C439 VanDerWaalsContact O-N 3.17Å | ||
| 437 | E | 93.8 | Very high | 95.4 | Very high | 77 Ų | 77 | 58 Ų | 58 | 36% | 0.36 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -24.7 | 173.5 | -70.6 | -165.4 | 171.4 | 0 | 0 | 112 | K423 L426 L430 F440 T441 | K423-E437 IonicContact NZ-OE1 2.67Å; K423-E437 PolarHBondContact NZ-OE1 3.31Å; K423-E437 IonicContact NZ-OE2 3.7Å; L426-E437 HydrophobicContact CD2-CG 4.31Å; L430-E437 HydrophobicContact CD1-CG 3.83Å; L430-E437 HydrophobicContact CD2-CG 4Å; E437-F440 PolarHBondContact O-N 3.28Å; E437-T441 PolarHBondContact O-N 3.08Å; E437-T441 PolarHBondContact O-OG1 3.13Å |
| 438 | S | 95.8 | Very high | 95.6 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 173.8 | 53 | 0 | 0 | 0 | 0 | 112 | E436 F440 T441 E442 | E436-S438 WeakPolarHBondContact CB-OG 3.46Å; E436-S438 PolarHBondContact O-N 3.1Å; E436-S438 PolarHBondContact OE2-OG 3.22Å; E436-S438 VanDerWaalsContact OE2-OG 3.07Å; S438-F440 VanDerWaalsContact C-N 3.27Å; S438-F440 PolarHBondContact O-N 2.67Å; S438-T441 WeakPolarHBondContact O-CB 3.29Å; S438-T441 PolarHBondContact O-N 3.41Å; S438-E442 WeakPolarHBondContact O-CG 3.42Å; S438-E442 PolarHBondContact O-N 2.97Å |
| 439 | C | 96.3 | Very high | 95.8 | Very high | 18 Ų | 18 | 52.7 Ų | 52.7 | 12% | 0.122 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.5 | -39.1 | 179.3 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | M435 E436 A443 | M435-C439 HydrophobicContact CE-CB 4.23Å; E436-C439 WeakPolarHBondContact O-CB 3.45Å; E436-C439 PolarHBondContact O-N 3.31Å; E436-C439 VanDerWaalsContact O-N 3.17Å; C439-A443 WeakPolarHBondContact O-CB 3.25Å; C439-A443 PolarHBondContact O-N 2.93Å |
| 440 | F | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -41.4 | 176 | -72.1 | -89 | 0 | 0 | 0 | 111.9 | Y190 L194 F416 Y420 L426 Y429 L430 M435 E437 S438 A443 V444 | Y190-F440 AromaticContact CD1-CD1 3.95Å; Y190-F440 HydrophobicContact CD1-CD1 3.95Å; Y190-F440 AromaticContact CD1-CE1 3.69Å; Y190-F440 HydrophobicContact CD1-CE1 3.69Å; Y190-F440 HydrophobicContact CE1-CD1 4.33Å; Y190-F440 HydrophobicContact CE1-CE1 4.25Å; Y190-F440 HydrophobicContact CG-CE1 4.1Å; L194-F440 HydrophobicContact CD1-CD1 4.46Å; L194-F440 HydrophobicContact CD1-CE1 3.84Å; L194-F440 HydrophobicContact CD1-CZ 4.1Å; L194-F440 HydrophobicContact CD2-CD1 4.41Å; L194-F440 HydrophobicContact CG-CE1 4.43Å; F416-F440 AromaticContact CE2-CD1 3.89Å; F416-F440 HydrophobicContact CE2-CD1 3.89Å; F416-F440 HydrophobicContact CZ-CB 4.17Å; F416-F440 AromaticContact CZ-CD1 3.89Å; F416-F440 HydrophobicContact CZ-CD1 3.89Å; Y420-F440 HydrophobicContact CD2-CB 4.46Å; Y420-F440 HydrophobicContact CE2-CB 3.74Å; Y420-F440 HydrophobicContact CE2-CD1 4.44Å; Y420-F440 HydrophobicContact CE2-CG 4.08Å; L426-F440 HydrophobicContact CD1-CD1 4.3Å; L426-F440 HydrophobicContact CD1-CD2 3.96Å; L426-F440 HydrophobicContact CD1-CE1 4.05Å; L426-F440 HydrophobicContact CD1-CE2 3.69Å; L426-F440 HydrophobicContact CD1-CG 4.25Å; L426-F440 HydrophobicContact CD1-CZ 3.74Å; Y429-F440 AromaticContact CD1-CZ 3.9Å; Y429-F440 HydrophobicContact CD1-CZ 3.9Å; Y429-F440 HydrophobicContact CD2-CZ 4.28Å; Y429-F440 HydrophobicContact CG-CE1 4.44Å; Y429-F440 AromaticContact CG-CZ 3.66Å; Y429-F440 HydrophobicContact CG-CZ 3.66Å; L430-F440 HydrophobicContact CD2-CE2 4.4Å; M435-F440 HydrophobicContact CE-CE2 3.8Å; M435-F440 HydrophobicContact CE-CZ 4.09Å; E437-F440 PolarHBondContact O-N 3.28Å; S438-F440 VanDerWaalsContact C-N 3.27Å; S438-F440 PolarHBondContact O-N 2.67Å; F440-A443 PolarHBondContact O-N 3.08Å; F440-V444 VanDerWaalsContact O-CG2 3.31Å; F440-V444 WeakPolarHBondContact O-CG2 3.44Å; F440-V444 PolarHBondContact O-N 3.04Å |
| 441 | T | 96.5 | Very high | 95.8 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | -179.7 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | E437 S438 V444 S445 | E437-T441 PolarHBondContact O-N 3.08Å; E437-T441 PolarHBondContact O-OG1 3.13Å; S438-T441 WeakPolarHBondContact O-CB 3.29Å; S438-T441 PolarHBondContact O-N 3.41Å; T441-V444 PolarHBondContact O-N 3.01Å; T441-S445 WeakPolarHBondContact O-CB 3.31Å; T441-S445 PolarHBondContact O-N 3.07Å |
| 442 | E | 97.4 | Very high | 95.9 | Very high | 95 Ų | 95 | 48.6 Ų | 48.6 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 173.8 | -72.4 | 173.4 | -164.3 | 0 | 0 | 112.2 | K197 S438 V444 S445 S446 | K197-E442 IonicContact NZ-OE2 2.6Å; K197-E442 PolarHBondContact NZ-OE2 3.33Å; S438-E442 WeakPolarHBondContact O-CG 3.42Å; S438-E442 PolarHBondContact O-N 2.97Å; E442-V444 VanDerWaalsContact C-N 3.33Å; E442-V444 PolarHBondContact O-N 2.75Å; E442-S445 WeakPolarHBondContact O-CA 3.43Å; E442-S445 WeakPolarHBondContact O-CB 3.12Å; E442-S445 PolarHBondContact O-N 3.4Å; E442-S445 VanDerWaalsContact O-N 3.09Å; E442-S446 PolarHBondContact O-N 3.16Å |
| 443 | A | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | I193 L194 K197 C439 F440 S445 S446 L447 | I193-A443 HydrophobicContact CG2-CB 3.73Å; L194-A443 HydrophobicContact CD2-CB 4.06Å; K197-A443 HydrophobicContact CB-CB 3.98Å; K197-A443 HydrophobicContact CD-CB 4.22Å; K197-A443 HydrophobicContact CG-CB 4.48Å; C439-A443 WeakPolarHBondContact O-CB 3.25Å; C439-A443 PolarHBondContact O-N 2.93Å; F440-A443 PolarHBondContact O-N 3.08Å; A443-S445 VanDerWaalsContact C-N 3.34Å; A443-S446 PolarHBondContact O-N 3.44Å; A443-L447 PolarHBondContact O-N 3.09Å |
| 444 | V | 97.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.6 | -37.6 | 173 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | I193 F416 M417 F440 T441 E442 L447 S448 | I193-V444 HydrophobicContact CG2-CG2 4.15Å; F416-V444 HydrophobicContact CD1-CG2 3.63Å; F416-V444 HydrophobicContact CE1-CG2 3.15Å; F416-V444 HydrophobicContact CE2-CG2 4.09Å; F416-V444 HydrophobicContact CG-CG2 4.37Å; F416-V444 HydrophobicContact CZ-CG2 3.4Å; F416-V444 VanDerWaalsContact CZ-CG2 3.4Å; M417-V444 HydrophobicContact SD-CG1 4.39Å; F440-V444 VanDerWaalsContact O-CG2 3.31Å; F440-V444 WeakPolarHBondContact O-CG2 3.44Å; F440-V444 PolarHBondContact O-N 3.04Å; T441-V444 PolarHBondContact O-N 3.01Å; E442-V444 VanDerWaalsContact C-N 3.33Å; E442-V444 PolarHBondContact O-N 2.75Å; V444-L447 PolarHBondContact O-N 2.92Å; V444-S448 VanDerWaalsContact O-CB 3.3Å; V444-S448 WeakPolarHBondContact O-CB 3.39Å; V444-S448 PolarHBondContact O-N 2.93Å; V444-S448 PolarHBondContact O-OG 2.86Å |
| 445 | S | 97.8 | Very high | 96.4 | Very high | 77 Ų | 77 | 42.4 Ų | 42.4 | 54% | 0.538 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.8 | -46 | 176.9 | -170 | 0 | 0 | 0 | 0 | 110.8 | T441 E442 A443 L447 S448 A449 | T441-S445 WeakPolarHBondContact O-CB 3.31Å; T441-S445 PolarHBondContact O-N 3.07Å; E442-S445 WeakPolarHBondContact O-CA 3.43Å; E442-S445 WeakPolarHBondContact O-CB 3.12Å; E442-S445 PolarHBondContact O-N 3.4Å; E442-S445 VanDerWaalsContact O-N 3.09Å; A443-S445 VanDerWaalsContact C-N 3.34Å; S445-L447 PolarHBondContact O-N 3.12Å; S445-S448 WeakPolarHBondContact O-CB 3.26Å; S445-S448 PolarHBondContact O-N 2.76Å; S445-S448 VanDerWaalsContact O-N 3.12Å; S445-A449 PolarHBondContact O-N 2.86Å |
| 446 | S | 97.7 | Very high | 96.3 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.3 | -51.1 | 174.6 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | N200 E442 A443 S448 A449 L450 | N200-S446 PolarHBondContact ND2-OG 3.13Å; N200-S446 VanDerWaalsContact ND2-OG 3.12Å; E442-S446 PolarHBondContact O-N 3.16Å; A443-S446 PolarHBondContact O-N 3.44Å; S446-S448 VanDerWaalsContact C-N 3.27Å; S446-S448 PolarHBondContact O-N 2.72Å; S446-A449 PolarHBondContact O-N 2.95Å; S446-L450 PolarHBondContact O-N 3.09Å |
| 447 | L | 97.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -36 | 176.2 | -178 | 55.7 | 0 | 0 | 0 | 112.8 | I193 M196 F409 K413 A443 V444 S445 L450 I451 | I193-L447 HydrophobicContact CD1-CD2 3.73Å; I193-L447 HydrophobicContact CG1-CD2 3.98Å; M196-L447 HydrophobicContact CE-CD1 3.52Å; M196-L447 HydrophobicContact SD-CD1 3.42Å; M196-L447 WeakPolarHBondContact SD-CD1 3.19Å; M196-L447 HydrophobicContact SD-CD2 4.42Å; M196-L447 HydrophobicContact SD-CG 4.46Å; F409-L447 HydrophobicContact CB-CD1 3.93Å; F409-L447 HydrophobicContact CD2-CD1 4.5Å; F409-L447 HydrophobicContact CG-CD1 4.21Å; K413-L447 HydrophobicContact CB-CD2 3.91Å; A443-L447 PolarHBondContact O-N 3.09Å; V444-L447 PolarHBondContact O-N 2.92Å; S445-L447 PolarHBondContact O-N 3.12Å; L447-L450 HydrophobicContact CD1-CD2 4.48Å; L447-I451 HydrophobicContact CD1-CD1 4.15Å; L447-I451 HydrophobicContact CD1-CG1 4.31Å; L447-I451 HydrophobicContact CG-CD1 3.94Å; L447-I451 WeakPolarHBondContact O-CB 3.33Å; L447-I451 WeakPolarHBondContact O-CD1 3.49Å; L447-I451 VanDerWaalsContact O-CG1 3.24Å; L447-I451 WeakPolarHBondContact O-CG1 3.49Å; L447-I451 PolarHBondContact O-N 3.36Å |
| 448 | S | 97.7 | Very high | 95.9 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 22% | 0.217 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | 178.7 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | K413 V444 S445 S446 I451 Q452 | K413-S448 WeakPolarHBondContact CE-OG 3.29Å; K413-S448 PolarHBondContact NZ-OG 3.07Å; V444-S448 VanDerWaalsContact O-CB 3.3Å; V444-S448 WeakPolarHBondContact O-CB 3.39Å; V444-S448 PolarHBondContact O-N 2.93Å; V444-S448 PolarHBondContact O-OG 2.86Å; S445-S448 WeakPolarHBondContact O-CB 3.26Å; S445-S448 PolarHBondContact O-N 2.76Å; S445-S448 VanDerWaalsContact O-N 3.12Å; S446-S448 VanDerWaalsContact C-N 3.27Å; S446-S448 PolarHBondContact O-N 2.72Å; S448-I451 PolarHBondContact O-N 3.14Å; S448-Q452 WeakPolarHBondContact O-CB 3.06Å; S448-Q452 PolarHBondContact O-N 2.94Å |
| 449 | A | 97.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 42.4 Ų | 42.4 | 33% | 0.331 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -48.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S445 S446 I451 Q452 E453 | S445-A449 PolarHBondContact O-N 2.86Å; S446-A449 PolarHBondContact O-N 2.95Å; A449-I451 PolarHBondContact O-N 3.32Å; A449-Q452 WeakPolarHBondContact O-CA 3.32Å; A449-Q452 WeakPolarHBondContact O-CB 3.08Å; A449-Q452 PolarHBondContact O-N 3.28Å; A449-E453 PolarHBondContact O-N 3.5Å |
| 450 | L | 96.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.1 | -46.7 | 176.6 | -177.7 | 67.1 | 0 | 0 | 0 | 112.5 | M196 Q295 L296 Y298 F409 S446 L447 Q452 E453 Y454 | M196-L450 HydrophobicContact CE-CD2 3.52Å; Q295-L450 VanDerWaalsContact O-CD1 3.26Å; Q295-L450 WeakPolarHBondContact O-CD1 3.43Å; L296-L450 HydrophobicContact CD2-CD1 3.63Å; Y298-L450 HydrophobicContact CD2-CD2 4.2Å; Y298-L450 HydrophobicContact CE2-CD2 3.62Å; F409-L450 HydrophobicContact CD2-CD2 3.97Å; F409-L450 HydrophobicContact CE2-CD2 3.68Å; F409-L450 HydrophobicContact CE2-CG 4.41Å; F409-L450 HydrophobicContact CZ-CD2 4.47Å; S446-L450 PolarHBondContact O-N 3.09Å; L447-L450 HydrophobicContact CD1-CD2 4.48Å; L450-Q452 PolarHBondContact O-N 3.46Å; L450-E453 PolarHBondContact O-N 3.15Å; L450-Y454 HydrophobicContact CD1-CD2 4.18Å; L450-Y454 HydrophobicContact CD1-CE2 3.73Å; L450-Y454 HydrophobicContact CD2-CE2 4.47Å; L450-Y454 HydrophobicContact CG-CD2 4.12Å; L450-Y454 HydrophobicContact CG-CE2 3.93Å; L450-Y454 WeakPolarHBondContact O-CD2 3.42Å; L450-Y454 PolarHBondContact O-N 2.88Å; L450-Y454 VanDerWaalsContact O-N 3.14Å |
| 451 | I | 96.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 175.9 | -71.9 | 166.3 | 0 | 0 | 0 | 111 | K406 F409 M410 K413 L447 S448 A449 N455 | K406-I451 HydrophobicContact CG-CG2 4.4Å; F409-I451 HydrophobicContact CB-CD1 3.96Å; F409-I451 HydrophobicContact CB-CG1 3.79Å; M410-I451 HydrophobicContact CE-CG2 3.55Å; M410-I451 HydrophobicContact CG-CD1 4.17Å; M410-I451 HydrophobicContact CG-CG2 4.07Å; K413-I451 HydrophobicContact CD-CD1 4.16Å; L447-I451 HydrophobicContact CD1-CD1 4.15Å; L447-I451 HydrophobicContact CD1-CG1 4.31Å; L447-I451 HydrophobicContact CG-CD1 3.94Å; L447-I451 WeakPolarHBondContact O-CB 3.33Å; L447-I451 WeakPolarHBondContact O-CD1 3.49Å; L447-I451 VanDerWaalsContact O-CG1 3.24Å; L447-I451 WeakPolarHBondContact O-CG1 3.49Å; L447-I451 PolarHBondContact O-N 3.36Å; S448-I451 PolarHBondContact O-N 3.14Å; A449-I451 PolarHBondContact O-N 3.32Å; I451-N455 WeakPolarHBondContact O-CB 3.38Å; I451-N455 PolarHBondContact O-N 3.49Å; I451-N455 PolarHBondContact O-ND2 3.46Å |
| 452 | Q | 96.5 | Very high | 93.2 | Very high | 113 Ų | 113 | 49.6 Ų | 49.6 | 53% | 0.528 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 178.7 | -177.3 | 174.7 | -10.9 | 0 | 0 | 111.8 | S448 A449 L450 N455 Q456 | S448-Q452 WeakPolarHBondContact O-CB 3.06Å; S448-Q452 PolarHBondContact O-N 2.94Å; A449-Q452 WeakPolarHBondContact O-CA 3.32Å; A449-Q452 WeakPolarHBondContact O-CB 3.08Å; A449-Q452 PolarHBondContact O-N 3.28Å; L450-Q452 PolarHBondContact O-N 3.46Å; Q452-N455 WeakPolarHBondContact O-CB 3.3Å; Q452-N455 PolarHBondContact O-N 3.35Å; Q452-N455 VanDerWaalsContact O-N 3.16Å; Q452-Q456 WeakPolarHBondContact O-CG 3.21Å; Q452-Q456 PolarHBondContact O-N 3.44Å |
| 453 | E | 95.5 | Very high | 91.8 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 175.5 | -69.1 | -173.6 | 176.7 | 0 | 0 | 111.7 | Q295 L296 A449 L450 N455 Q456 L457 | Q295-E453 PolarHBondContact OE1-OE1 3.33Å; L296-E453 HydrophobicContact CD2-CB 4.04Å; L296-E453 WeakPolarHBondContact CD2-OE2 3.48Å; A449-E453 PolarHBondContact O-N 3.5Å; L450-E453 PolarHBondContact O-N 3.15Å; E453-N455 VanDerWaalsContact C-N 3.28Å; E453-N455 PolarHBondContact O-N 2.99Å; E453-Q456 PolarHBondContact O-N 3.35Å; E453-L457 PolarHBondContact O-N 2.94Å; E453-L457 VanDerWaalsContact O-N 3.11Å |
| 454 | Y | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 173.8 | -79.1 | -64.2 | 0 | 0 | 0 | 112.6 | L296 T403 V405 F409 L450 L457 D458 | L296-Y454 HydrophobicContact CB-CE1 4.38Å; L296-Y454 HydrophobicContact CD1-CE1 4.46Å; L296-Y454 HydrophobicContact CD2-CD1 4.33Å; L296-Y454 HydrophobicContact CD2-CD2 4.03Å; L296-Y454 HydrophobicContact CD2-CE1 4.03Å; L296-Y454 HydrophobicContact CD2-CE2 3.69Å; L296-Y454 HydrophobicContact CD2-CG 4.34Å; T403-Y454 HydrophobicContact CG2-CD1 4.14Å; V405-Y454 HydrophobicContact CG2-CD1 4.26Å; V405-Y454 HydrophobicContact CG2-CD2 3.97Å; V405-Y454 HydrophobicContact CG2-CE1 3.88Å; V405-Y454 HydrophobicContact CG2-CE2 3.56Å; V405-Y454 HydrophobicContact CG2-CG 4.3Å; F409-Y454 HydrophobicContact CE2-CD2 4.5Å; F409-Y454 AromaticContact CE2-CE2 3.99Å; F409-Y454 HydrophobicContact CE2-CE2 3.99Å; L450-Y454 HydrophobicContact CD1-CD2 4.18Å; L450-Y454 HydrophobicContact CD1-CE2 3.73Å; L450-Y454 HydrophobicContact CD2-CE2 4.47Å; L450-Y454 HydrophobicContact CG-CD2 4.12Å; L450-Y454 HydrophobicContact CG-CE2 3.93Å; L450-Y454 WeakPolarHBondContact O-CD2 3.42Å; L450-Y454 PolarHBondContact O-N 2.88Å; L450-Y454 VanDerWaalsContact O-N 3.14Å; Y454-L457 PolarHBondContact O-N 3.16Å; Y454-D458 WeakPolarHBondContact O-CB 3.36Å; Y454-D458 PolarHBondContact O-N 2.96Å |
| 455 | N | 93.7 | Very high | 88.5 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 32% | 0.316 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 175.3 | -84.4 | -47.6 | 0 | 0 | 0 | 113 | K406 I451 Q452 E453 L457 D458 A459 | K406-N455 WeakPolarHBondContact CD-OD1 3.43Å; K406-N455 WeakPolarHBondContact CE-OD1 3.42Å; K406-N455 PolarHBondContact NZ-OD1 3.12Å; I451-N455 WeakPolarHBondContact O-CB 3.38Å; I451-N455 PolarHBondContact O-N 3.49Å; I451-N455 PolarHBondContact O-ND2 3.46Å; Q452-N455 WeakPolarHBondContact O-CB 3.3Å; Q452-N455 PolarHBondContact O-N 3.35Å; Q452-N455 VanDerWaalsContact O-N 3.16Å; E453-N455 VanDerWaalsContact C-N 3.28Å; E453-N455 PolarHBondContact O-N 2.99Å; N455-L457 VanDerWaalsContact C-N 3.32Å; N455-D458 PolarHBondContact O-N 2.91Å; N455-A459 WeakPolarHBondContact O-CB 3.35Å; N455-A459 PolarHBondContact O-N 3.43Å |
| 456 | Q | 92.8 | Very high | 86.5 | Confident | 116 Ų | 116 | 62.6 Ų | 62.6 | 54% | 0.542 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 176.6 | -73.6 | 173.7 | -4.9 | 0 | 0 | 110.8 | Q452 E453 A459 | Q452-Q456 WeakPolarHBondContact O-CG 3.21Å; Q452-Q456 PolarHBondContact O-N 3.44Å; E453-Q456 PolarHBondContact O-N 3.35Å; Q456-A459 PolarHBondContact O-N 2.7Å |
| 457 | L | 92.1 | Very high | 84.3 | Confident | 23 Ų | 23 | 68.7 Ų | 68.7 | 12% | 0.12 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64 | -47 | 174.3 | -70 | 172.6 | 0 | 0 | 0 | 111.9 | L296 L342 L344 T403 E453 Y454 N455 A459 T460 | L296-L457 HydrophobicContact CD1-CD1 3.36Å; L342-L457 WeakPolarHBondContact CD2-O 2.98Å; L344-L457 HydrophobicContact CD1-CD1 4.12Å; L344-L457 HydrophobicContact CD2-CD1 3.87Å; L344-L457 HydrophobicContact CG-CD1 4.28Å; T403-L457 HydrophobicContact CG2-CB 4.09Å; E453-L457 PolarHBondContact O-N 2.94Å; E453-L457 VanDerWaalsContact O-N 3.11Å; Y454-L457 PolarHBondContact O-N 3.16Å; N455-L457 VanDerWaalsContact C-N 3.32Å; L457-A459 PolarHBondContact O-N 3.05Å; L457-T460 WeakPolarHBondContact O-CB 3.42Å; L457-T460 PolarHBondContact O-N 2.61Å; L457-T460 PolarHBondContact O-OG1 3.3Å |
| 458 | D | 88.8 | Confident | 82.3 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 21% | 0.214 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.2 | -29.8 | 180 | -152.4 | 36.2 | 0 | 0 | 0 | 112.2 | T403 K406 Y454 N455 T460 K461 | T403-D458 HydrophobicContact CG2-CB 4.28Å; T403-D458 PolarHBondContact OG1-OD1 3.09Å; T403-D458 VanDerWaalsContact OG1-OD1 3.12Å; K406-D458 IonicContact NZ-OD2 3.83Å; K406-D458 PolarHBondContact NZ-OD2 2.99Å; Y454-D458 WeakPolarHBondContact O-CB 3.36Å; Y454-D458 PolarHBondContact O-N 2.96Å; N455-D458 PolarHBondContact O-N 2.91Å; D458-T460 PolarHBondContact O-N 2.84Å; D458-K461 WeakPolarHBondContact O-CB 3.19Å; D458-K461 PolarHBondContact O-N 3.03Å |
| 459 | A | 88.6 | Confident | 80.2 | Confident | 77 Ų | 77 | 79.3 Ų | 79.3 | 64% | 0.636 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.2 | -20.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N455 Q456 L457 K461 | N455-A459 WeakPolarHBondContact O-CB 3.35Å; N455-A459 PolarHBondContact O-N 3.43Å; Q456-A459 PolarHBondContact O-N 2.7Å; L457-A459 PolarHBondContact O-N 3.05Å; A459-K461 VanDerWaalsContact C-N 3.33Å |
| 460 | T | 86.7 | Confident | 78.3 | Confident | 38 Ų | 38 | 88.8 Ų | 88.8 | 23% | 0.233 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -5.3 | 176.3 | 71.4 | 0 | 0 | 0 | 0 | 114 | L457 D458 N462 M463 | L457-T460 WeakPolarHBondContact O-CB 3.42Å; L457-T460 PolarHBondContact O-N 2.61Å; L457-T460 PolarHBondContact O-OG1 3.3Å; D458-T460 PolarHBondContact O-N 2.84Å; T460-N462 PolarHBondContact O-N 3.07Å; T460-M463 HydrophobicContact CG2-CE 4.21Å; T460-M463 HydrophobicContact CG2-SD 4.43Å; T460-M463 WeakPolarHBondContact O-CB 3.45Å; T460-M463 PolarHBondContact O-N 2.72Å |
| 461 | K | 79.9 | Confident | 76.5 | Confident | 68 Ų | 68 | 96.9 Ų | 96.9 | 30% | 0.296 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -28.2 | -172.5 | -177.5 | 177 | 177 | -172.3 | 0 | 115.5 | H340 L342 D458 A459 | H340-K461 PolarHBondContact O-NZ 3.36Å; L342-K461 HydrophobicContact CD1-CB 4.46Å; L342-K461 HydrophobicContact CD1-CG 4.4Å; D458-K461 WeakPolarHBondContact O-CB 3.19Å; D458-K461 PolarHBondContact O-N 3.03Å; A459-K461 VanDerWaalsContact C-N 3.33Å |
| 462 | N | 72.7 | Confident | 74.4 | Confident | 145 Ų | 145 | 101.6 Ų | 101.6 | 78% | 0.775 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | 7.5 | 179.1 | -62.4 | -34.7 | 0 | 0 | 0 | 113.5 | T460 | T460-N462 PolarHBondContact O-N 3.07Š|
| 463 | M | 69.6 | Low | 72.4 | Confident | 118 Ų | 118 | 104 Ų | 104 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -71.6 | 132.9 | 175.9 | -70.8 | -162.8 | -163.7 | 0 | 0 | 109.4 | T460 V465 | T460-M463 HydrophobicContact CG2-CE 4.21Å; T460-M463 HydrophobicContact CG2-SD 4.43Å; T460-M463 WeakPolarHBondContact O-CB 3.45Å; T460-M463 PolarHBondContact O-N 2.72Å; M463-V465 PolarHBondContact O-N 3.05Å |
| 464 | P | 62.4 | Low | 70.5 | Confident | 113 Ų | 113 | 105.8 Ų | 105.8 | 73% | 0.734 | 58% | 0.579 | S | S | * | * | trans | -59.7 | 140.4 | 174.7 | 24 | -30.7 | 0 | 0 | 0 | 109.4 | Q466 | P464-Q466 PolarHBondContact O-N 3.06Š| ||
| 465 | V | 63 | Low | 68.2 | Low | 75 Ų | 75 | 118 Ų | 118 | 46% | 0.455 | 64% | 0.64 | S | S | . | * | trans | -57.8 | 112.1 | 169.6 | -178.3 | 0 | 0 | 0 | 0 | 106.5 | Q377 M463 D467 | Q377-V465 HydrophobicContact CG-CG2 4.46Å; M463-V465 PolarHBondContact O-N 3.05Å; V465-D467 PolarHBondContact O-N 3.46Å; V465-D467 VanDerWaalsContact O-N 3.11Å | ||
| 466 | Q | 56.4 | Low | 66.9 | Low | 158 Ų | 158 | 121 Ų | 121 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | trans | -67.7 | 110.9 | 168.6 | -79.5 | -176.4 | -13.5 | 0 | 0 | 106.5 | P464 L468 | P464-Q466 PolarHBondContact O-N 3.06Å; Q466-L468 PolarHBondContact O-N 2.61Å | ||
| 467 | D | 51.7 | Low | 65.6 | Low | 156 Ų | 156 | 121.3 Ų | 121.3 | 83% | 0.834 | 66% | 0.662 | S | S | * | * | trans | -63.3 | 85 | 164.4 | -86.8 | -32 | 0 | 0 | 0 | 107.6 | V465 P469 | V465-D467 PolarHBondContact O-N 3.46Å; V465-D467 VanDerWaalsContact O-N 3.11Å; D467-P469 WeakPolarHBondContact O-CD 3.41Å | ||
| 468 | L | 54.8 | Low | 64.1 | Low | 137 Ų | 137 | 126.7 Ų | 126.7 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -61 | 123.1 | 166.1 | -75.8 | 165.2 | 0 | 0 | 0 | 106.2 | Q466 R470 | Q466-L468 PolarHBondContact O-N 2.61Å; L468-R470 PolarHBondContact O-N 3.36Å |
| 469 | P | 53.1 | Low | 62.6 | Low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 117.7 | -178 | 19.9 | -29.9 | 0 | 0 | 0 | 108.7 | D467 L471 | D467-P469 WeakPolarHBondContact O-CD 3.41Å; P469-L471 PolarHBondContact O-N 3.2Å |
| 470 | R | 57.6 | Low | 61 | Low | 239 Ų | 239 | 135.3 Ų | 135.3 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 127.8 | 174.1 | -70 | -177 | 179.2 | -174.3 | -0.6 | 107.5 | L468 S472 | L468-R470 PolarHBondContact O-N 3.36Å; R470-S472 PolarHBondContact O-N 3.12Å |
| 471 | L | 57.9 | Low | 59.3 | Low | 171 Ų | 171 | 141.7 Ų | 141.7 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | trans | -51.6 | 112 | 174.3 | -77.1 | 160.5 | 0 | 0 | 0 | 108.2 | P469 I473 | P469-L471 PolarHBondContact O-N 3.2Å; L471-I473 PolarHBondContact O-N 2.87Å; L471-I473 VanDerWaalsContact O-N 3.13Å | ||
| 472 | S | 53.3 | Low | 57.8 | Low | 112 Ų | 112 | 147 Ų | 147 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -65.7 | 114.1 | 172.1 | 51.6 | 0 | 0 | 0 | 0 | 107.1 | R470 A474 | R470-S472 PolarHBondContact O-N 3.12Å; S472-A474 PolarHBondContact O-N 3.39Å; S472-A474 VanDerWaalsContact O-N 3.08Å | ||
| 473 | I | 54.7 | Low | 56.7 | Low | 162 Ų | 162 | 147.2 Ų | 147.2 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -56.9 | 117.1 | 169.1 | -59.5 | 168.9 | 0 | 0 | 0 | 106 | L471 M475 | L471-I473 PolarHBondContact O-N 2.87Å; L471-I473 VanDerWaalsContact O-N 3.13Å; I473-M475 PolarHBondContact O-N 2.82Å; I473-M475 VanDerWaalsContact O-N 3.13Å | ||
| 474 | A | 54.9 | Low | 55.6 | Low | 95 Ų | 95 | 149.6 Ų | 149.6 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -60.8 | 116.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | S472 | S472-A474 PolarHBondContact O-N 3.39Å; S472-A474 VanDerWaalsContact O-N 3.08Å | ||
| 475 | M | 47.4 | Very low | 55 | Low | 258 Ų | 258 | 152.9 Ų | 152.9 | 100% | 1.271 | 82% | 0.817 | S | S | * | * | trans | -63.2 | 0 | 178.7 | -115.5 | -167.5 | -69.4 | 0 | 0 | 112 | I473 | I473-M475 PolarHBondContact O-N 2.82Å; I473-M475 VanDerWaalsContact O-N 3.13Å |
Retrieved 475 of 475 residues in 2798.4 ms
(Link to these results)