| 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 | 64.5 | Low | 84.4 | Confident | 64 Ų | 64 | 33.4 Ų | 33.4 | 32% | 0.315 | 16% | 0.164 | S | C | . | . | 0 | 105.9 | 0 | -64.3 | -171.8 | 147.6 | 0 | 0 | 107 | A7 L23 P24 F27 I74 Y89 L249 | M1-A7 HydrophobicContact CE-CB 3.91Å; M1-L23 HydrophobicContact CE-CB 3.97Å; M1-L23 HydrophobicContact CE-CD1 4.27Å; M1-L23 HydrophobicContact SD-CD1 4.49Å; M1-P24 HydrophobicContact CE-CB 4.38Å; M1-P24 HydrophobicContact CE-CG 4.29Å; M1-F27 HydrophobicContact SD-CB 4.42Å; M1-F27 HydrophobicContact SD-CD2 3.67Å; M1-F27 HydrophobicContact SD-CE2 4.35Å; M1-F27 HydrophobicContact SD-CG 4.36Å; M1-I74 HydrophobicContact CB-CD1 4.08Å; M1-I74 HydrophobicContact CE-CD1 3.61Å; M1-I74 HydrophobicContact CG-CD1 3.92Å; M1-I74 HydrophobicContact SD-CD1 3.63Å; M1-Y89 HydrophobicContact SD-CE2 4.35Å; M1-L249 HydrophobicContact CE-CD2 3.52Å | |||
| 2 | Q | 70.8 | Confident | 84.8 | Confident | 101 Ų | 101 | 33.4 Ų | 33.4 | 47% | 0.472 | 16% | 0.163 | S | C | . | . | trans | -97.9 | -177.1 | 165 | -50.5 | -166.6 | 61.7 | 0 | 0 | 106.9 | T5 D251 | Q2-T5 PolarHBondContact N-OG1 3.47Å; Q2-T5 PolarHBondContact O-OG1 2.69Å; Q2-D251 PolarHBondContact NE2-OD2 2.87Å | ||
| 3 | N | 76.8 | Confident | 84.9 | Confident | 91 Ų | 91 | 32.8 Ų | 32.8 | 49% | 0.487 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 157.7 | 160.9 | -64.1 | 8.5 | 0 | 0 | 0 | 108.6 | T5 K75 | N3-T5 PolarHBondContact O-N 3.16Å; N3-K75 WeakPolarHBondContact CB-O 3.18Å; N3-K75 PolarHBondContact ND2-O 3Å |
| 4 | E | 82.6 | Confident | 85.1 | Confident | 90 Ų | 90 | 32.9 Ų | 32.9 | 42% | 0.421 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 4.6 | -175.3 | -45.1 | -148.9 | 102.5 | 0 | 0 | 116.5 | L6 F73 I74 K100 P252 | E4-L6 PolarHBondContact O-N 3.18Å; E4-F73 HydrophobicContact CB-CE2 4.01Å; E4-F73 HydrophobicContact CB-CZ 3.86Å; E4-F73 HydrophobicContact CG-CE2 4.37Å; E4-F73 HydrophobicContact CG-CZ 3.77Å; E4-I74 PolarHBondContact N-O 3.39Å; E4-K100 IonicContact OE1-NZ 2.68Å; E4-K100 PolarHBondContact OE1-NZ 2.75Å; E4-K100 IonicContact OE2-NZ 2.94Å; E4-P252 WeakPolarHBondContact O-CG 3.32Å |
| 5 | T | 88.9 | Confident | 85 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | trans | -68.2 | 129.6 | 170.5 | -54.9 | 0 | 0 | 0 | 0 | 110.1 | Q2 N3 I74 L249 | Q2-T5 PolarHBondContact N-OG1 3.47Å; Q2-T5 PolarHBondContact O-OG1 2.69Å; N3-T5 PolarHBondContact O-N 3.16Å; T5-I74 WeakPolarHBondContact O-CB 3.4Å; T5-I74 WeakPolarHBondContact O-CG1 3.47Å; T5-I74 PolarHBondContact O-N 2.86Å; T5-L249 HydrophobicContact CG2-CD2 4.29Å | ||
| 6 | L | 91.6 | Very high | 84.7 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 136.4 | 171.6 | -66.8 | 171.9 | 0 | 0 | 0 | 110.1 | E4 C72 F73 V98 L197 P198 L249 V250 | E4-L6 PolarHBondContact O-N 3.18Å; L6-C72 WeakPolarHBondContact CA-O 3.37Å; L6-F73 HydrophobicContact CD2-CB 4.2Å; L6-F73 HydrophobicContact CD2-CD2 3.88Å; L6-V98 WeakPolarHBondContact CD2-O 3.2Å; L6-L197 HydrophobicContact CD1-CD2 3.98Å; L6-P198 HydrophobicContact CB-CG 3.74Å; L6-L249 WeakPolarHBondContact O-CA 3.38Å; L6-V250 HydrophobicContact CB-CB 4.27Å; L6-V250 PolarHBondContact N-O 2.66Å; L6-V250 PolarHBondContact O-N 3.42Å |
| 7 | A | 91.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 149.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 L23 C72 I74 P198 L249 | M1-A7 HydrophobicContact CE-CB 3.91Å; A7-L23 HydrophobicContact CB-CD2 4.05Å; A7-C72 HydrophobicContact CB-CB 4.29Å; A7-C72 PolarHBondContact N-O 3.31Å; A7-C72 WeakPolarHBondContact O-CB 3.18Å; A7-C72 PolarHBondContact O-N 2.93Å; A7-I74 HydrophobicContact CB-CD1 4.42Å; A7-P198 VanDerWaalsContact C-CB 3.49Å; A7-L249 HydrophobicContact CB-CD2 3.53Å |
| 8 | L | 90.8 | Very high | 84.9 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 123.3 | 163.1 | -174 | 66.7 | 0 | 0 | 0 | 108.3 | P24 P198 I248 I269 | L8-P24 WeakPolarHBondContact O-CD 3.28Å; L8-P198 HydrophobicContact CB-CB 3.86Å; L8-P198 VanDerWaalsContact N-CB 3.34Å; L8-I248 HydrophobicContact CD2-CG2 4.37Å; L8-I248 PolarHBondContact N-O 2.89Å; L8-I269 HydrophobicContact CD2-CD1 4.21Å |
| 9 | G | 90 | Very high | 85.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 164.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q22 T69 V70 | G9-Q22 CarbonylContact C-O 3.55Å; G9-Q22 VanDerWaalsContact CA-O 3.23Å; G9-Q22 WeakPolarHBondContact CA-O 3.44Å; G9-T69 WeakPolarHBondContact O-CA 3.25Å; G9-V70 PolarHBondContact N-O 2.92Å; G9-V70 PolarHBondContact O-N 3.33Å |
| 10 | V | 90.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.5 | 174.8 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | K12 V21 Q22 Q68 T69 L273 F346 L347 | V10-K12 PolarHBondContact O-N 3Å; V10-K12 VanDerWaalsContact O-N 3.15Å; V10-V21 CarbonylContact O-C 3.51Å; V10-V21 WeakPolarHBondContact O-CA 3.37Å; V10-Q22 HydrophobicContact CB-CB 4.38Å; V10-Q22 PolarHBondContact N-O 2.91Å; V10-Q22 PolarHBondContact O-N 3.09Å; V10-Q68 CarbonylContact C-O 3.49Å; V10-Q68 WeakPolarHBondContact CA-O 3.48Å; V10-T69 HydrophobicContact CG2-CG2 4.31Å; V10-L273 HydrophobicContact CG1-CD1 4.16Å; V10-L273 HydrophobicContact CG2-CD1 3.68Å; V10-F346 HydrophobicContact CB-CB 4.38Å; V10-F346 HydrophobicContact CG1-CB 3.81Å; V10-L347 HydrophobicContact CG2-CB 3.97Å; V10-L347 HydrophobicContact CG2-CD1 3.76Å; V10-L347 HydrophobicContact CG2-CG 4.46Å |
| 11 | I | 90.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 118.7 | 179.5 | -59.8 | -172.7 | 0 | 0 | 0 | 109.7 | V14 L19 F64 G67 Q68 V70 | I11-V14 HydrophobicContact CG2-CG2 3.97Å; I11-L19 HydrophobicContact CD1-CD1 4.28Å; I11-F64 HydrophobicContact CD1-CB 3.68Å; I11-F64 HydrophobicContact CD1-CD1 3.48Å; I11-F64 VanDerWaalsContact CD1-CD1 3.48Å; I11-F64 HydrophobicContact CD1-CE1 4.42Å; I11-F64 HydrophobicContact CD1-CG 3.86Å; I11-G67 PolarHBondContact O-N 3.14Å; I11-Q68 HydrophobicContact CD1-CB 4.12Å; I11-Q68 HydrophobicContact CG1-CB 4.33Å; I11-Q68 PolarHBondContact N-O 3.4Å; I11-V70 HydrophobicContact CD1-CG1 3.92Å; I11-V70 HydrophobicContact CG1-CG1 4.07Å; I11-V70 HydrophobicContact CG1-CG2 4.03Å |
| 12 | K | 88.2 | Confident | 87 | Confident | 34 Ų | 34 | 39.2 Ų | 39.2 | 15% | 0.148 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -38.9 | -176.8 | -166.9 | -159.4 | 179.1 | 91.3 | 0 | 112.1 | V10 E20 L28 V66 D343 H344 F346 | V10-K12 PolarHBondContact O-N 3Å; V10-K12 VanDerWaalsContact O-N 3.15Å; K12-E20 WeakPolarHBondContact CA-O 3.42Å; K12-E20 WeakPolarHBondContact CB-O 3.3Å; K12-E20 PolarHBondContact N-O 3.25Å; K12-L28 HydrophobicContact CB-CD1 4.47Å; K12-L28 HydrophobicContact CD-CD1 3.61Å; K12-V66 WeakPolarHBondContact O-CG1 3.48Å; K12-D343 VanDerWaalsContact CE-OD1 3.24Å; K12-D343 WeakPolarHBondContact CE-OD1 3.44Å; K12-D343 IonicContact NZ-OD1 3.53Å; K12-D343 PolarHBondContact NZ-OD1 2.72Å; K12-D343 IonicContact NZ-OD2 3.5Å; K12-D343 PolarHBondContact NZ-OD2 3.05Å; K12-H344 PolarHBondContact NZ-O 3.26Å; K12-F346 HydrophobicContact CB-CD2 4.29Å; K12-F346 HydrophobicContact CB-CE2 4.27Å; K12-F346 HydrophobicContact CG-CD2 3.97Å; K12-F346 HydrophobicContact CG-CE2 3.66Å |
| 13 | S | 86 | Confident | 87.8 | Confident | 26 Ų | 26 | 34.4 Ų | 34.4 | 18% | 0.182 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 144.2 | 169 | 71.3 | 0 | 0 | 0 | 0 | 111 | E20 | S13-E20 PolarHBondContact N-O 3.09Å; S13-E20 PolarHBondContact O-N 3.34Å |
| 14 | V | 87.7 | Confident | 88.2 | Confident | 34 Ų | 34 | 30 Ų | 30 | 21% | 0.206 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 137.3 | 169.4 | -176 | 0 | 0 | 0 | 0 | 108.5 | I11 L19 L60 F64 V66 | I11-V14 HydrophobicContact CG2-CG2 3.97Å; V14-L19 HydrophobicContact CB-CD2 4.26Å; V14-L19 HydrophobicContact CG1-CD2 3.87Å; V14-L19 HydrophobicContact CG2-CD2 4.11Å; V14-L60 HydrophobicContact CG1-CB 3.99Å; V14-L60 WeakPolarHBondContact CG1-O 3.37Å; V14-F64 HydrophobicContact CG2-CB 4.27Å; V14-V66 HydrophobicContact CG2-CG2 4.38Å |
| 15 | Q | 84.4 | Confident | 87.8 | Confident | 78 Ų | 78 | 29.5 Ų | 29.5 | 36% | 0.364 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.4 | 176.3 | -53.7 | -74.6 | -28.7 | 0 | 0 | 108.1 | L17 Y18 | Q15-L17 PolarHBondContact O-N 2.61Å; Q15-Y18 CarbonylContact C-O 3.53Å; Q15-Y18 WeakPolarHBondContact CA-O 3.14Å; Q15-Y18 HydrophobicContact CB-CD1 3.95Å; Q15-Y18 HydrophobicContact CB-CD2 4.27Å; Q15-Y18 HydrophobicContact CB-CE1 3.84Å; Q15-Y18 HydrophobicContact CB-CE2 4.18Å; Q15-Y18 HydrophobicContact CB-CG 4.18Å; Q15-Y18 VanDerWaalsContact CB-O 3.26Å; Q15-Y18 WeakPolarHBondContact CB-O 3.02Å; Q15-Y18 HydrophobicContact CG-CD2 4.19Å; Q15-Y18 HydrophobicContact CG-CE1 4.14Å; Q15-Y18 HydrophobicContact CG-CE2 3.74Å; Q15-Y18 PolarHBondContact N-O 3.13Å; Q15-Y18 PolarHBondContact O-N 3.02Å |
| 16 | K | 79.5 | Confident | 87.2 | Confident | 145 Ų | 145 | 29.9 Ų | 29.9 | 63% | 0.63 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -20.3 | -172.6 | -77.5 | -172.1 | 171.9 | -77.2 | 0 | 116.6 | E59 | K16-E59 IonicContact NZ-OE1 3.53Å; K16-E59 PolarHBondContact NZ-OE1 2.88Å; K16-E59 IonicContact NZ-OE2 3.81Å |
| 17 | L | 84.1 | Confident | 86.8 | Confident | 118 Ų | 118 | 32.2 Ų | 32.2 | 62% | 0.618 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -127.9 | 1.9 | -179.5 | -62.3 | 174.5 | 0 | 0 | 0 | 113.9 | Q15 I33 | Q15-L17 PolarHBondContact O-N 2.61Å; L17-I33 HydrophobicContact CD2-CD1 4.34Å; L17-I33 PolarHBondContact O-N 3.2Å |
| 18 | Y | 89.8 | Confident | 86.5 | Confident | 58 Ų | 58 | 32.9 Ų | 32.9 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 156.1 | -178.2 | 64.2 | -83.7 | 0 | 0 | 0 | 113.7 | Q15 E20 R30 V31 | Q15-Y18 CarbonylContact C-O 3.53Å; Q15-Y18 WeakPolarHBondContact CA-O 3.14Å; Q15-Y18 HydrophobicContact CB-CD1 3.95Å; Q15-Y18 HydrophobicContact CB-CD2 4.27Å; Q15-Y18 HydrophobicContact CB-CE1 3.84Å; Q15-Y18 HydrophobicContact CB-CE2 4.18Å; Q15-Y18 HydrophobicContact CB-CG 4.18Å; Q15-Y18 VanDerWaalsContact CB-O 3.26Å; Q15-Y18 WeakPolarHBondContact CB-O 3.02Å; Q15-Y18 HydrophobicContact CG-CD2 4.19Å; Q15-Y18 HydrophobicContact CG-CE1 4.14Å; Q15-Y18 HydrophobicContact CG-CE2 3.74Å; Q15-Y18 PolarHBondContact N-O 3.13Å; Q15-Y18 PolarHBondContact O-N 3.02Å; Y18-E20 HydrophobicContact CD2-CG 4.03Å; Y18-E20 HydrophobicContact CE2-CG 3.72Å; Y18-R30 HydrophobicContact CD2-CG 3.79Å; Y18-R30 VanDerWaalsContact CE1-NH2 3.27Å; Y18-R30 HydrophobicContact CG-CG 4.29Å; Y18-R30 VanDerWaalsContact CG-NE 3.32Å; Y18-V31 CarbonylContact C-O 3.52Å; Y18-V31 WeakPolarHBondContact CA-O 3.3Å; Y18-V31 WeakPolarHBondContact CB-O 3.44Å |
| 19 | L | 91.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 140.3 | 168.9 | -48.8 | 174.2 | 0 | 0 | 0 | 109.5 | I11 V14 V21 R30 V31 L60 F64 L93 | I11-L19 HydrophobicContact CD1-CD1 4.28Å; V14-L19 HydrophobicContact CB-CD2 4.26Å; V14-L19 HydrophobicContact CG1-CD2 3.87Å; V14-L19 HydrophobicContact CG2-CD2 4.11Å; L19-V21 HydrophobicContact CB-CG2 4.29Å; L19-R30 WeakPolarHBondContact O-CA 3.49Å; L19-V31 HydrophobicContact CB-CB 4.19Å; L19-V31 PolarHBondContact N-O 3.44Å; L19-V31 PolarHBondContact O-N 2.92Å; L19-L60 HydrophobicContact CD2-CB 4.37Å; L19-L60 HydrophobicContact CD2-CD1 4.4Å; L19-F64 HydrophobicContact CD1-CD1 4.25Å; L19-F64 HydrophobicContact CD1-CD2 3.75Å; L19-F64 HydrophobicContact CD1-CE1 4.39Å; L19-F64 HydrophobicContact CD1-CE2 3.92Å; L19-F64 HydrophobicContact CD1-CG 3.92Å; L19-F64 HydrophobicContact CD1-CZ 4.24Å; L19-F64 HydrophobicContact CD2-CB 4.24Å; L19-F64 HydrophobicContact CD2-CD2 4.13Å; L19-F64 HydrophobicContact CD2-CG 4.35Å; L19-L93 HydrophobicContact CD1-CD1 3.88Å |
| 20 | E | 90.4 | Very high | 86.4 | Confident | 24 Ų | 24 | 36.6 Ų | 36.6 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.9 | 161.6 | -58.9 | -157.7 | 161 | 0 | 0 | 109.1 | K12 S13 Y18 L28 G29 R88 | K12-E20 WeakPolarHBondContact CA-O 3.42Å; K12-E20 WeakPolarHBondContact CB-O 3.3Å; K12-E20 PolarHBondContact N-O 3.25Å; S13-E20 PolarHBondContact N-O 3.09Å; S13-E20 PolarHBondContact O-N 3.34Å; Y18-E20 HydrophobicContact CD2-CG 4.03Å; Y18-E20 HydrophobicContact CE2-CG 3.72Å; E20-L28 HydrophobicContact CB-CD1 4.3Å; E20-L28 WeakPolarHBondContact OE2-CD2 3.38Å; E20-G29 WeakPolarHBondContact CA-O 3.37Å; E20-R88 IonicContact OE1-CZ 2.81Å; E20-R88 IonicContact OE1-NH1 2.89Å; E20-R88 PolarHBondContact OE1-NH1 2.91Å; E20-R88 IonicContact OE1-NH2 2.71Å; E20-R88 PolarHBondContact OE1-NH2 3Å; E20-R88 IonicContact OE2-CZ 3.32Å; E20-R88 IonicContact OE2-NH2 2.62Å; E20-R88 PolarHBondContact OE2-NH2 3.21Å |
| 21 | V | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.6 | -171.7 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | V10 L19 L23 L28 G29 V31 V70 | V10-V21 CarbonylContact O-C 3.51Å; V10-V21 WeakPolarHBondContact O-CA 3.37Å; L19-V21 HydrophobicContact CB-CG2 4.29Å; V21-L23 PolarHBondContact O-N 3.16Å; V21-L28 CarbonylContact O-C 3.55Å; V21-G29 PolarHBondContact N-O 3.36Å; V21-G29 PolarHBondContact O-N 3.02Å; V21-V31 HydrophobicContact CG2-CG2 4.02Å; V21-V70 HydrophobicContact CG1-CG2 3.82Å; V21-V70 HydrophobicContact CG2-CG2 4.38Å |
| 22 | Q | 89.8 | Confident | 86.6 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 127.4 | 173.4 | -160.4 | 88.2 | 18.1 | 0 | 0 | 109.5 | G9 V10 H344 D345 L347 | G9-Q22 CarbonylContact C-O 3.55Å; G9-Q22 VanDerWaalsContact CA-O 3.23Å; G9-Q22 WeakPolarHBondContact CA-O 3.44Å; V10-Q22 HydrophobicContact CB-CB 4.38Å; V10-Q22 PolarHBondContact N-O 2.91Å; V10-Q22 PolarHBondContact O-N 3.09Å; Q22-H344 PolarHBondContact NE2-O 3.36Å; Q22-H344 PolarHBondContact OE1-O 2.91Å; Q22-D345 PolarHBondContact NE2-OD1 3.09Å; Q22-D345 PolarHBondContact NE2-OD2 3.16Å; Q22-L347 HydrophobicContact CG-CB 4.37Å |
| 23 | L | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 159.8 | -179.2 | -69.1 | 177.4 | 0 | 0 | 0 | 111.4 | M1 A7 V21 G26 F27 C72 I74 Y89 V91 | M1-L23 HydrophobicContact CE-CB 3.97Å; M1-L23 HydrophobicContact CE-CD1 4.27Å; M1-L23 HydrophobicContact SD-CD1 4.49Å; A7-L23 HydrophobicContact CB-CD2 4.05Å; V21-L23 PolarHBondContact O-N 3.16Å; L23-G26 PolarHBondContact O-N 3.43Å; L23-F27 HydrophobicContact CB-CB 3.99Å; L23-F27 PolarHBondContact N-O 3.44Å; L23-F27 PolarHBondContact O-N 3.44Å; L23-C72 HydrophobicContact CD2-CB 4.11Å; L23-I74 HydrophobicContact CD1-CD1 4.44Å; L23-Y89 HydrophobicContact CD1-CD2 4.33Å; L23-V91 HydrophobicContact CD1-CG2 4.22Å |
| 24 | P | 84 | Confident | 86.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -45.2 | 139.5 | 178.7 | -33.5 | 36.8 | 0 | 0 | 0 | 114.8 | M1 L8 G26 F27 L249 L347 | M1-P24 HydrophobicContact CE-CB 4.38Å; M1-P24 HydrophobicContact CE-CG 4.29Å; L8-P24 WeakPolarHBondContact O-CD 3.28Å; P24-G26 PolarHBondContact O-N 3.11Å; P24-F27 VanDerWaalsContact O-CD2 3.28Å; P24-F27 WeakPolarHBondContact O-CD2 3.32Å; P24-L249 HydrophobicContact CB-CD1 4.17Å; P24-L249 HydrophobicContact CB-CD2 4.35Å; P24-L249 HydrophobicContact CB-CG 4.28Å; P24-L249 HydrophobicContact CG-CD1 4.45Å; P24-L249 HydrophobicContact CG-CD2 3.86Å; P24-L249 HydrophobicContact CG-CG 4.02Å; P24-L347 HydrophobicContact CB-CD2 4.24Å; P24-L347 HydrophobicContact CG-CD2 3.75Å |
| 25 | H | 75.1 | Confident | 87.1 | Confident | 79 Ų | 79 | 41 Ų | 41 | 37% | 0.366 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | 64.7 | 16.3 | -174.8 | -39.8 | -38.3 | 0 | 0 | 0 | 115.3 | F27 H229 | H25-F27 HydrophobicContact CB-CE2 4.48Å; H25-H229 AromaticContact ND1-NE2 3.83Å |
| 26 | G | 75.1 | Confident | 87.4 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 10% | 0.103 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | 76.9 | 29.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L23 P24 D345 | L23-G26 PolarHBondContact O-N 3.43Å; P24-G26 PolarHBondContact O-N 3.11Å; G26-D345 WeakPolarHBondContact CA-OD2 3.42Å |
| 27 | F | 84.1 | Confident | 88 | Confident | 62 Ų | 62 | 30.4 Ų | 30.4 | 27% | 0.272 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 164.8 | 161.7 | -67.7 | -59 | 0 | 0 | 0 | 110.4 | M1 L23 P24 H25 K87 Y89 | M1-F27 HydrophobicContact SD-CB 4.42Å; M1-F27 HydrophobicContact SD-CD2 3.67Å; M1-F27 HydrophobicContact SD-CE2 4.35Å; M1-F27 HydrophobicContact SD-CG 4.36Å; L23-F27 HydrophobicContact CB-CB 3.99Å; L23-F27 PolarHBondContact N-O 3.44Å; L23-F27 PolarHBondContact O-N 3.44Å; P24-F27 VanDerWaalsContact O-CD2 3.28Å; P24-F27 WeakPolarHBondContact O-CD2 3.32Å; H25-F27 HydrophobicContact CB-CE2 4.48Å; F27-K87 HydrophobicContact CD1-CB 4.27Å; F27-K87 HydrophobicContact CE1-CB 4.36Å; F27-Y89 HydrophobicContact CB-CD2 4.17Å; F27-Y89 HydrophobicContact CB-CE2 3.78Å; F27-Y89 AromaticContact CD1-CE2 3.73Å; F27-Y89 HydrophobicContact CD1-CE2 3.73Å; F27-Y89 HydrophobicContact CD2-CE2 4.27Å; F27-Y89 HydrophobicContact CE1-CE2 4.37Å; F27-Y89 AromaticContact CG-CE2 3.67Å; F27-Y89 HydrophobicContact CG-CE2 3.67Å |
| 28 | L | 86.2 | Confident | 88.3 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 7% | 0.068 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 117 | -178.4 | -168.5 | 71.2 | 0 | 0 | 0 | 110.3 | K12 E20 V21 R88 Y89 | K12-L28 HydrophobicContact CB-CD1 4.47Å; K12-L28 HydrophobicContact CD-CD1 3.61Å; E20-L28 HydrophobicContact CB-CD1 4.3Å; E20-L28 WeakPolarHBondContact OE2-CD2 3.38Å; V21-L28 CarbonylContact O-C 3.55Å; L28-R88 HydrophobicContact CB-CG 4.4Å; L28-R88 HydrophobicContact CD2-CG 4.29Å; L28-R88 VanDerWaalsContact CD2-NH2 3.32Å; L28-R88 CarbonylContact O-C 3.55Å; L28-R88 WeakPolarHBondContact O-CA 3.32Å; L28-Y89 PolarHBondContact O-N 3.07Å |
| 29 | G | 87.7 | Confident | 88.3 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 152.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E20 V21 Y89 | E20-G29 WeakPolarHBondContact CA-O 3.37Å; V21-G29 PolarHBondContact N-O 3.36Å; V21-G29 PolarHBondContact O-N 3.02Å; G29-Y89 CarbonylContact C-O 3.59Å; G29-Y89 WeakPolarHBondContact CA-O 3.46Å |
| 30 | R | 91.2 | Very high | 88.3 | Confident | 84 Ų | 84 | 27 Ų | 27 | 32% | 0.317 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.7 | 165.7 | -171.5 | -176.7 | -172.5 | -144.7 | -1.8 | 108.8 | Y18 L19 Y89 V91 | Y18-R30 HydrophobicContact CD2-CG 3.79Å; Y18-R30 VanDerWaalsContact CE1-NH2 3.27Å; Y18-R30 HydrophobicContact CG-CG 4.29Å; Y18-R30 VanDerWaalsContact CG-NE 3.32Å; L19-R30 WeakPolarHBondContact O-CA 3.49Å; R30-Y89 PolarHBondContact N-O 2.92Å; R30-V91 PolarHBondContact O-N 2.86Å |
| 31 | V | 92.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.2 | 174 | -175.3 | 0 | 0 | 0 | 0 | 107.1 | Y18 L19 V21 D35 V36 V91 L93 | Y18-V31 CarbonylContact C-O 3.52Å; Y18-V31 WeakPolarHBondContact CA-O 3.3Å; Y18-V31 WeakPolarHBondContact CB-O 3.44Å; L19-V31 HydrophobicContact CB-CB 4.19Å; L19-V31 PolarHBondContact N-O 3.44Å; L19-V31 PolarHBondContact O-N 2.92Å; V21-V31 HydrophobicContact CG2-CG2 4.02Å; V31-D35 HydrophobicContact CG1-CB 3.75Å; V31-V36 HydrophobicContact CG1-CG2 4.27Å; V31-V91 WeakPolarHBondContact CA-O 3.25Å; V31-V91 HydrophobicContact CG2-CB 4.05Å; V31-V91 HydrophobicContact CG2-CG1 3.95Å; V31-L93 HydrophobicContact CG1-CD1 4.2Å; V31-L93 HydrophobicContact CG1-CG 3.92Å; V31-L93 HydrophobicContact CG2-CD1 4.26Å; V31-L93 HydrophobicContact CG2-CD2 4.07Å; V31-L93 HydrophobicContact CG2-CG 3.87Å |
| 32 | N | 91.2 | Very high | 88.2 | Confident | 20 Ų | 20 | 30.8 Ų | 30.8 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 162.8 | 174.5 | -51.4 | -70.3 | 0 | 0 | 0 | 110.2 | Y34 D35 | N32-Y34 HydrophobicContact CB-CD1 4.15Å; N32-Y34 HydrophobicContact CB-CD2 4.28Å; N32-Y34 HydrophobicContact CB-CE1 3.69Å; N32-Y34 HydrophobicContact CB-CE2 3.82Å; N32-Y34 HydrophobicContact CB-CG 4.42Å; N32-Y34 PolarHBondContact ND2-OH 2.8Å; N32-Y34 PolarHBondContact O-N 3.35Å; N32-D35 HydrophobicContact CB-CB 4.5Å; N32-D35 WeakPolarHBondContact CB-OD2 3.29Å; N32-D35 PolarHBondContact ND2-OD2 3.24Å; N32-D35 WeakPolarHBondContact O-CB 3Å; N32-D35 PolarHBondContact O-N 3.13Å |
| 33 | I | 90.8 | Very high | 88 | Confident | 28 Ų | 28 | 30.8 Ų | 30.8 | 14% | 0.144 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -55.7 | -36 | -178.9 | -163.3 | 171.4 | 0 | 0 | 0 | 113.4 | L17 D35 V36 Y40 L44 L60 | L17-I33 HydrophobicContact CD2-CD1 4.34Å; L17-I33 PolarHBondContact O-N 3.2Å; I33-D35 VanDerWaalsContact C-N 3.34Å; I33-D35 PolarHBondContact O-N 2.83Å; I33-V36 WeakPolarHBondContact O-CG2 3.37Å; I33-Y40 HydrophobicContact CD1-CE1 4.39Å; I33-Y40 HydrophobicContact CG1-CE1 3.71Å; I33-L44 HydrophobicContact CD1-CD1 4.15Å; I33-L44 HydrophobicContact CD1-CD2 3.87Å; I33-L44 HydrophobicContact CG1-CD1 3.76Å; I33-L44 HydrophobicContact CG1-CD2 4.4Å; I33-L44 HydrophobicContact CG2-CD1 4.39Å; I33-L60 HydrophobicContact CB-CD1 4.29Å; I33-L60 HydrophobicContact CD1-CD1 4.37Å; I33-L60 HydrophobicContact CG1-CD1 3.99Å; I33-L60 HydrophobicContact CG1-CD2 4.37Å; I33-L60 HydrophobicContact CG1-CG 4.24Å |
| 34 | Y | 90.5 | Very high | 88 | Confident | 134 Ų | 134 | 32.8 Ų | 32.8 | 53% | 0.525 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -83.6 | 1.8 | 174.8 | 57.4 | -103.9 | 0 | 0 | 0 | 114.8 | N32 T41 | N32-Y34 HydrophobicContact CB-CD1 4.15Å; N32-Y34 HydrophobicContact CB-CD2 4.28Å; N32-Y34 HydrophobicContact CB-CE1 3.69Å; N32-Y34 HydrophobicContact CB-CE2 3.82Å; N32-Y34 HydrophobicContact CB-CG 4.42Å; N32-Y34 PolarHBondContact ND2-OH 2.8Å; N32-Y34 PolarHBondContact O-N 3.35Å; Y34-T41 WeakPolarHBondContact CA-OG1 3.33Å; Y34-T41 PolarHBondContact O-OG1 3.43Å |
| 35 | D | 91.1 | Very high | 88.1 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -99.6 | 7.8 | 176.8 | -77.2 | -56.6 | 0 | 0 | 0 | 112.3 | V31 N32 I33 K75 S92 L93 N94 | V31-D35 HydrophobicContact CG1-CB 3.75Å; N32-D35 HydrophobicContact CB-CB 4.5Å; N32-D35 WeakPolarHBondContact CB-OD2 3.29Å; N32-D35 PolarHBondContact ND2-OD2 3.24Å; N32-D35 WeakPolarHBondContact O-CB 3Å; N32-D35 PolarHBondContact O-N 3.13Å; I33-D35 VanDerWaalsContact C-N 3.34Å; I33-D35 PolarHBondContact O-N 2.83Å; D35-K75 IonicContact OD1-NZ 3.55Å; D35-K75 PolarHBondContact OD1-NZ 3.48Å; D35-S92 PolarHBondContact O-OG 2.87Å; D35-L93 PolarHBondContact O-N 2.86Å; D35-N94 PolarHBondContact O-N 2.99Å |
| 36 | V | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -83.9 | -64.8 | -177.8 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | V31 I33 Y40 L60 M63 F64 L93 N94 L152 | V31-V36 HydrophobicContact CG1-CG2 4.27Å; I33-V36 WeakPolarHBondContact O-CG2 3.37Å; V36-Y40 HydrophobicContact CB-CD1 4.26Å; V36-Y40 HydrophobicContact CG1-CD1 4.49Å; V36-L60 HydrophobicContact CG2-CD2 4.11Å; V36-M63 HydrophobicContact CG1-CE 4.41Å; V36-F64 HydrophobicContact CG1-CE2 3.94Å; V36-F64 HydrophobicContact CG1-CZ 3.89Å; V36-F64 HydrophobicContact CG2-CE2 4.32Å; V36-L93 CarbonylContact O-C 3.55Å; V36-N94 WeakPolarHBondContact O-CA 3.42Å; V36-N94 PolarHBondContact O-N 2.96Å; V36-L152 HydrophobicContact CG1-CD1 3.99Å; V36-L152 HydrophobicContact CG1-CG 4.11Å |
| 37 | S | 91.6 | Very high | 89 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -154 | 158.6 | 177.1 | 67.7 | 0 | 0 | 0 | 0 | 110.7 | Y40 T41 S116 G150 | S37-Y40 WeakPolarHBondContact OG-CB 3.45Å; S37-Y40 PolarHBondContact OG-N 2.81Å; S37-T41 WeakPolarHBondContact O-CB 3.45Å; S37-T41 PolarHBondContact O-N 3.4Å; S37-T41 VanDerWaalsContact O-N 3.12Å; S37-T41 PolarHBondContact O-OG1 3.19Å; S37-S116 WeakPolarHBondContact CB-OG 3.39Å; S37-S116 PolarHBondContact OG-OG 3.25Å; S37-G150 PolarHBondContact OG-O 2.85Å | ||
| 38 | D | 91 | Very high | 88.7 | Confident | 53 Ų | 53 | 39.7 Ų | 39.7 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.9 | -47.9 | 179.5 | -77.8 | 10.6 | 0 | 0 | 0 | 111.4 | Y40 T41 E42 N94 K96 | D38-Y40 VanDerWaalsContact C-N 3.33Å; D38-Y40 PolarHBondContact O-N 3.11Å; D38-T41 CarbonylContact O-C 3.53Å; D38-T41 WeakPolarHBondContact O-CA 3.3Å; D38-T41 VanDerWaalsContact O-CB 3.31Å; D38-T41 WeakPolarHBondContact O-CB 3.47Å; D38-T41 PolarHBondContact O-N 3.22Å; D38-E42 WeakPolarHBondContact O-CG 3.39Å; D38-E42 PolarHBondContact O-N 3.23Å; D38-N94 PolarHBondContact OD1-ND2 3.33Å; D38-K96 VanDerWaalsContact OD2-CD 3.25Å; D38-K96 WeakPolarHBondContact OD2-CD 3.39Å; D38-K96 WeakPolarHBondContact OD2-CE 3.49Å; D38-K96 IonicContact OD2-NZ 3.73Å; D38-K96 PolarHBondContact OD2-NZ 3.17Å |
| 39 | K | 89.2 | Confident | 88.3 | Confident | 46 Ų | 46 | 46.3 Ų | 46.3 | 20% | 0.2 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -35.8 | -178.5 | -176.9 | 55.5 | -176.3 | 161.9 | 0 | 113 | T41 E42 L43 I149 | K39-T41 VanDerWaalsContact C-N 3.31Å; K39-T41 PolarHBondContact O-N 2.74Å; K39-E42 HydrophobicContact CD-CB 4.4Å; K39-E42 WeakPolarHBondContact CD-OE2 3.42Å; K39-E42 WeakPolarHBondContact O-CB 3.45Å; K39-E42 PolarHBondContact O-N 2.63Å; K39-L43 WeakPolarHBondContact O-CG 3.44Å; K39-L43 PolarHBondContact O-N 2.87Å; K39-L43 VanDerWaalsContact O-N 3.1Å; K39-I149 HydrophobicContact CD-CG2 4.42Å; K39-I149 HydrophobicContact CG-CG2 3.66Å |
| 40 | Y | 90.7 | Very high | 87.6 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.3 | -35.2 | 171.4 | -169.6 | -116 | 0 | 0 | 0 | 111.6 | I33 V36 S37 D38 E42 L44 L57 V58 L60 M63 | I33-Y40 HydrophobicContact CD1-CE1 4.39Å; I33-Y40 HydrophobicContact CG1-CE1 3.71Å; V36-Y40 HydrophobicContact CB-CD1 4.26Å; V36-Y40 HydrophobicContact CG1-CD1 4.49Å; S37-Y40 WeakPolarHBondContact OG-CB 3.45Å; S37-Y40 PolarHBondContact OG-N 2.81Å; D38-Y40 VanDerWaalsContact C-N 3.33Å; D38-Y40 PolarHBondContact O-N 3.11Å; Y40-E42 VanDerWaalsContact C-N 3.33Å; Y40-L44 HydrophobicContact CD1-CD1 3.67Å; Y40-L44 HydrophobicContact CE1-CD1 3.72Å; Y40-L44 HydrophobicContact CE1-CG 4.49Å; Y40-L44 HydrophobicContact CG-CD1 4.33Å; Y40-L44 WeakPolarHBondContact O-CB 3.46Å; Y40-L44 WeakPolarHBondContact O-CD1 3.19Å; Y40-L44 WeakPolarHBondContact O-CG 3.19Å; Y40-L44 PolarHBondContact O-N 2.87Å; Y40-L57 HydrophobicContact CD2-CD1 4.14Å; Y40-L57 HydrophobicContact CE2-CD1 3.73Å; Y40-V58 WeakPolarHBondContact CE2-O 3.33Å; Y40-V58 PolarHBondContact OH-O 2.87Å; Y40-L60 HydrophobicContact CE1-CD2 3.97Å; Y40-M63 HydrophobicContact CD2-CE 3.94Å; Y40-M63 HydrophobicContact CD2-SD 4.21Å; Y40-M63 HydrophobicContact CE1-SD 4.17Å; Y40-M63 HydrophobicContact CE2-CE 3.98Å; Y40-M63 HydrophobicContact CE2-SD 3.63Å; Y40-M63 HydrophobicContact CG-CE 4.26Å |
| 41 | T | 91 | Very high | 86.3 | Confident | 29 Ų | 29 | 49 Ų | 49 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.1 | -26.2 | 175.1 | -54.1 | 0 | 0 | 0 | 0 | 112.9 | Y34 S37 D38 K39 R45 | Y34-T41 WeakPolarHBondContact CA-OG1 3.33Å; Y34-T41 PolarHBondContact O-OG1 3.43Å; S37-T41 WeakPolarHBondContact O-CB 3.45Å; S37-T41 PolarHBondContact O-N 3.4Å; S37-T41 VanDerWaalsContact O-N 3.12Å; S37-T41 PolarHBondContact O-OG1 3.19Å; D38-T41 CarbonylContact O-C 3.53Å; D38-T41 WeakPolarHBondContact O-CA 3.3Å; D38-T41 VanDerWaalsContact O-CB 3.31Å; D38-T41 WeakPolarHBondContact O-CB 3.47Å; D38-T41 PolarHBondContact O-N 3.22Å; K39-T41 VanDerWaalsContact C-N 3.31Å; K39-T41 PolarHBondContact O-N 2.74Å; T41-R45 PolarHBondContact O-N 3.05Å |
| 42 | E | 88.6 | Confident | 84.9 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71 | -52.1 | 171.3 | -70.8 | 160.5 | -175.3 | 0 | 0 | 111 | D38 K39 Y40 L44 R45 E46 | D38-E42 WeakPolarHBondContact O-CG 3.39Å; D38-E42 PolarHBondContact O-N 3.23Å; K39-E42 HydrophobicContact CD-CB 4.4Å; K39-E42 WeakPolarHBondContact CD-OE2 3.42Å; K39-E42 WeakPolarHBondContact O-CB 3.45Å; K39-E42 PolarHBondContact O-N 2.63Å; Y40-E42 VanDerWaalsContact C-N 3.33Å; E42-L44 VanDerWaalsContact C-N 3.28Å; E42-L44 PolarHBondContact O-N 2.85Å; E42-R45 WeakPolarHBondContact O-CA 3.44Å; E42-R45 WeakPolarHBondContact O-CB 3.3Å; E42-R45 PolarHBondContact O-N 2.89Å; E42-E46 WeakPolarHBondContact O-CG 3.26Å; E42-E46 PolarHBondContact O-N 3.3Å |
| 43 | L | 86.6 | Confident | 83.7 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.2 | -40.4 | 175.3 | -64.8 | 172.8 | 0 | 0 | 0 | 112.3 | K39 R45 E46 S47 Q54 D56 L57 I149 | K39-L43 WeakPolarHBondContact O-CG 3.44Å; K39-L43 PolarHBondContact O-N 2.87Å; K39-L43 VanDerWaalsContact O-N 3.1Å; L43-R45 PolarHBondContact O-N 2.9Å; L43-E46 PolarHBondContact O-N 3.38Å; L43-S47 VanDerWaalsContact O-CB 3.31Å; L43-S47 WeakPolarHBondContact O-CB 3.28Å; L43-S47 PolarHBondContact O-N 2.66Å; L43-S47 PolarHBondContact O-OG 3.24Å; L43-Q54 PolarHBondContact O-OE1 3.09Å; L43-D56 HydrophobicContact CD1-CB 4.23Å; L43-D56 HydrophobicContact CD2-CB 4.44Å; L43-L57 HydrophobicContact CB-CD1 4.02Å; L43-I149 HydrophobicContact CD1-CB 4.39Å; L43-I149 HydrophobicContact CD1-CG2 3.95Å |
| 44 | L | 87.5 | Confident | 82.5 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.7 | -26.9 | 173.7 | -74.7 | 164.5 | 0 | 0 | 0 | 113.7 | I33 Y40 E42 A48 L57 | I33-L44 HydrophobicContact CD1-CD1 4.15Å; I33-L44 HydrophobicContact CD1-CD2 3.87Å; I33-L44 HydrophobicContact CG1-CD1 3.76Å; I33-L44 HydrophobicContact CG1-CD2 4.4Å; I33-L44 HydrophobicContact CG2-CD1 4.39Å; Y40-L44 HydrophobicContact CD1-CD1 3.67Å; Y40-L44 HydrophobicContact CE1-CD1 3.72Å; Y40-L44 HydrophobicContact CE1-CG 4.49Å; Y40-L44 HydrophobicContact CG-CD1 4.33Å; Y40-L44 WeakPolarHBondContact O-CB 3.46Å; Y40-L44 WeakPolarHBondContact O-CD1 3.19Å; Y40-L44 WeakPolarHBondContact O-CG 3.19Å; Y40-L44 PolarHBondContact O-N 2.87Å; E42-L44 VanDerWaalsContact C-N 3.28Å; E42-L44 PolarHBondContact O-N 2.85Å; L44-A48 VanDerWaalsContact O-CB 3.23Å; L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 3.27Å; L44-L57 HydrophobicContact CD2-CD1 3.88Å; L44-L57 HydrophobicContact CD2-CD2 4.11Å; L44-L57 HydrophobicContact CG-CD1 3.93Å |
| 45 | R | 86.8 | Confident | 81.6 | Confident | 126 Ų | 126 | 63.2 Ų | 63.2 | 48% | 0.475 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -81.3 | -48.8 | 175.2 | -175.1 | -176 | -57.6 | 116.8 | 7.5 | 110.5 | T41 E42 L43 S47 A48 E49 | T41-R45 PolarHBondContact O-N 3.05Å; E42-R45 WeakPolarHBondContact O-CA 3.44Å; E42-R45 WeakPolarHBondContact O-CB 3.3Å; E42-R45 PolarHBondContact O-N 2.89Å; L43-R45 PolarHBondContact O-N 2.9Å; R45-S47 VanDerWaalsContact C-N 3.3Å; R45-S47 PolarHBondContact O-N 3.12Å; R45-A48 CarbonylContact O-C 3.59Å; R45-A48 WeakPolarHBondContact O-CA 3.14Å; R45-A48 PolarHBondContact O-N 2.84Å; R45-E49 VanDerWaalsContact CD-OE1 3.28Å; R45-E49 WeakPolarHBondContact CD-OE1 3.16Å; R45-E49 VanDerWaalsContact CG-CD 3.47Å; R45-E49 HydrophobicContact CG-CG 4.2Å; R45-E49 WeakPolarHBondContact CG-OE1 3.18Å; R45-E49 WeakPolarHBondContact O-CB 3.34Å; R45-E49 WeakPolarHBondContact O-CG 3.44Å; R45-E49 PolarHBondContact O-N 3.25Å |
| 46 | E | 84.2 | Confident | 80.7 | Confident | 76 Ų | 76 | 67.2 Ų | 67.2 | 36% | 0.355 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 178.6 | -67.9 | 164.2 | -151 | 0 | 0 | 111.3 | E42 L43 A48 S50 Q54 | E42-E46 WeakPolarHBondContact O-CG 3.26Å; E42-E46 PolarHBondContact O-N 3.3Å; L43-E46 PolarHBondContact O-N 3.38Å; E46-A48 VanDerWaalsContact C-N 3.34Å; E46-A48 PolarHBondContact O-N 2.89Å; E46-S50 WeakPolarHBondContact O-CB 3.41Å; E46-S50 PolarHBondContact O-N 3.02Å; E46-S50 PolarHBondContact O-OG 2.98Å; E46-Q54 PolarHBondContact OE2-NE2 2.97Å |
| 47 | S | 83.3 | Confident | 80.1 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 11% | 0.105 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.7 | -29.7 | 173.7 | -61 | 0 | 0 | 0 | 0 | 113.5 | L43 R45 G51 I52 Q54 | L43-S47 VanDerWaalsContact O-CB 3.31Å; L43-S47 WeakPolarHBondContact O-CB 3.28Å; L43-S47 PolarHBondContact O-N 2.66Å; L43-S47 PolarHBondContact O-OG 3.24Å; R45-S47 VanDerWaalsContact C-N 3.3Å; R45-S47 PolarHBondContact O-N 3.12Å; S47-G51 WeakPolarHBondContact O-CA 3.45Å; S47-G51 PolarHBondContact O-N 3.28Å; S47-G51 VanDerWaalsContact O-N 3.17Å; S47-I52 VanDerWaalsContact CA-O 3.27Å; S47-I52 WeakPolarHBondContact CA-O 3.14Å; S47-I52 WeakPolarHBondContact CB-O 3.06Å; S47-Q54 WeakPolarHBondContact OG-CG 3.44Å; S47-Q54 PolarHBondContact OG-N 2.69Å; S47-Q54 PolarHBondContact OG-OE1 2.97Å |
| 48 | A | 79.3 | Confident | 79.7 | Confident | 80 Ų | 80 | 70.8 Ų | 70.8 | 66% | 0.661 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -83.5 | -25.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L44 R45 E46 | L44-A48 VanDerWaalsContact O-CB 3.23Å; L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 3.27Å; R45-A48 CarbonylContact O-C 3.59Å; R45-A48 WeakPolarHBondContact O-CA 3.14Å; R45-A48 PolarHBondContact O-N 2.84Å; E46-A48 VanDerWaalsContact C-N 3.34Å; E46-A48 PolarHBondContact O-N 2.89Å |
| 49 | E | 77.3 | Confident | 79.3 | Confident | 152 Ų | 152 | 72.2 Ų | 72.2 | 71% | 0.71 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -87.9 | -35.1 | 178 | -72.6 | 173.1 | -176.9 | 0 | 0 | 111.8 | R45 | R45-E49 VanDerWaalsContact CD-OE1 3.28Å; R45-E49 WeakPolarHBondContact CD-OE1 3.16Å; R45-E49 VanDerWaalsContact CG-CD 3.47Å; R45-E49 HydrophobicContact CG-CG 4.2Å; R45-E49 WeakPolarHBondContact CG-OE1 3.18Å; R45-E49 WeakPolarHBondContact O-CB 3.34Å; R45-E49 WeakPolarHBondContact O-CG 3.44Å; R45-E49 PolarHBondContact O-N 3.25Å |
| 50 | S | 73.5 | Confident | 79.2 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 49% | 0.49 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -80 | -27.1 | 172.9 | 62.3 | 0 | 0 | 0 | 0 | 114 | E46 I52 | E46-S50 WeakPolarHBondContact O-CB 3.41Å; E46-S50 PolarHBondContact O-N 3.02Å; E46-S50 PolarHBondContact O-OG 2.98Å; S50-I52 PolarHBondContact O-N 2.8Å; S50-I52 PolarHBondContact OG-N 3.33Å; S50-I52 PolarHBondContact OG-O 2.84Å |
| 51 | G | 64.2 | Low | 78.9 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 72% | 0.722 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 75.8 | 1.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S47 | S47-G51 WeakPolarHBondContact O-CA 3.45Å; S47-G51 PolarHBondContact O-N 3.28Å; S47-G51 VanDerWaalsContact O-N 3.17Å |
| 52 | I | 62.6 | Low | 78.5 | Confident | 123 Ų | 123 | 76.2 Ų | 76.2 | 63% | 0.631 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -102.7 | 139.4 | 176.2 | -59.3 | 173.6 | 0 | 0 | 0 | 108 | S47 S50 Q54 | S47-I52 VanDerWaalsContact CA-O 3.27Å; S47-I52 WeakPolarHBondContact CA-O 3.14Å; S47-I52 WeakPolarHBondContact CB-O 3.06Å; S50-I52 PolarHBondContact O-N 2.8Å; S50-I52 PolarHBondContact OG-N 3.33Å; S50-I52 PolarHBondContact OG-O 2.84Å; I52-Q54 PolarHBondContact O-N 2.97Å |
| 53 | I | 67.2 | Low | 78.4 | Confident | 137 Ų | 137 | 73.9 Ų | 73.9 | 70% | 0.703 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 118.6 | 171.9 | -61.3 | 165.3 | 0 | 0 | 0 | 107.5 | ||
| 54 | Q | 64.9 | Low | 78.5 | Confident | 50 Ų | 50 | 74 Ų | 74 | 23% | 0.234 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 137.2 | 172.2 | -69.2 | 171.4 | -51.4 | 0 | 0 | 110.6 | L43 E46 S47 I52 D56 L57 | L43-Q54 PolarHBondContact O-OE1 3.09Å; E46-Q54 PolarHBondContact OE2-NE2 2.97Å; S47-Q54 WeakPolarHBondContact OG-CG 3.44Å; S47-Q54 PolarHBondContact OG-N 2.69Å; S47-Q54 PolarHBondContact OG-OE1 2.97Å; I52-Q54 PolarHBondContact O-N 2.97Å; Q54-D56 PolarHBondContact O-N 3.2Å; Q54-L57 VanDerWaalsContact O-CB 3.28Å; Q54-L57 WeakPolarHBondContact O-CB 3.48Å; Q54-L57 PolarHBondContact O-N 2.9Å |
| 55 | D | 70.7 | Confident | 78.4 | Confident | 172 Ų | 172 | 78.3 Ų | 78.3 | 92% | 0.92 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.7 | -179 | -64.6 | -45.3 | 0 | 0 | 0 | 113.2 | L57 | D55-L57 PolarHBondContact O-N 3.01Š|
| 56 | D | 72.1 | Confident | 78.4 | Confident | 88 Ų | 88 | 75.3 Ų | 75.3 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -7.8 | 175.1 | -70.1 | -32.4 | 0 | 0 | 0 | 114.2 | L43 Q54 V58 | L43-D56 HydrophobicContact CD1-CB 4.23Å; L43-D56 HydrophobicContact CD2-CB 4.44Å; Q54-D56 PolarHBondContact O-N 3.2Å; D56-V58 PolarHBondContact O-N 2.76Å |
| 57 | L | 79.7 | Confident | 78.4 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | trans | -91.1 | 90.2 | -170 | -173.6 | 67.4 | 0 | 0 | 0 | 113.5 | Y40 L43 L44 Q54 D55 | Y40-L57 HydrophobicContact CD2-CD1 4.14Å; Y40-L57 HydrophobicContact CE2-CD1 3.73Å; L43-L57 HydrophobicContact CB-CD1 4.02Å; L44-L57 HydrophobicContact CD2-CD1 3.88Å; L44-L57 HydrophobicContact CD2-CD2 4.11Å; L44-L57 HydrophobicContact CG-CD1 3.93Å; Q54-L57 VanDerWaalsContact O-CB 3.28Å; Q54-L57 WeakPolarHBondContact O-CB 3.48Å; Q54-L57 PolarHBondContact O-N 2.9Å; D55-L57 PolarHBondContact O-N 3.01Å | ||
| 58 | V | 82.6 | Confident | 78.6 | Confident | 33 Ų | 33 | 73 Ų | 73 | 20% | 0.2 | 41% | 0.41 | C | S | . | . | trans | -74.5 | 145.9 | -179.3 | -174.6 | 0 | 0 | 0 | 0 | 113.5 | Y40 D56 D62 M63 D148 | Y40-V58 WeakPolarHBondContact CE2-O 3.33Å; Y40-V58 PolarHBondContact OH-O 2.87Å; D56-V58 PolarHBondContact O-N 2.76Å; V58-D62 HydrophobicContact CG1-CB 3.9Å; V58-M63 HydrophobicContact CB-CG 4.29Å; V58-M63 HydrophobicContact CG1-CG 3.96Å; V58-D148 HydrophobicContact CG2-CB 3.72Å | ||
| 59 | E | 82.8 | Confident | 79 | Confident | 83 Ų | 83 | 70.5 Ų | 70.5 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | trans | -70.3 | 146 | 171.5 | -80.6 | -146.7 | 161.5 | 0 | 0 | 112.7 | K16 S61 D62 M63 | K16-E59 IonicContact NZ-OE1 3.53Å; K16-E59 PolarHBondContact NZ-OE1 2.88Å; K16-E59 IonicContact NZ-OE2 3.81Å; E59-S61 PolarHBondContact O-N 2.93Å; E59-S61 PolarHBondContact OE2-OG 2.81Å; E59-D62 PolarHBondContact O-N 3.24Å; E59-M63 PolarHBondContact O-N 3.07Å | ||
| 60 | L | 87.7 | Confident | 79.6 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -53.6 | -23.9 | 169.3 | -65.6 | 178.9 | 0 | 0 | 0 | 113.5 | V14 L19 I33 V36 Y40 D62 M63 F64 | V14-L60 HydrophobicContact CG1-CB 3.99Å; V14-L60 WeakPolarHBondContact CG1-O 3.37Å; L19-L60 HydrophobicContact CD2-CB 4.37Å; L19-L60 HydrophobicContact CD2-CD1 4.4Å; I33-L60 HydrophobicContact CB-CD1 4.29Å; I33-L60 HydrophobicContact CD1-CD1 4.37Å; I33-L60 HydrophobicContact CG1-CD1 3.99Å; I33-L60 HydrophobicContact CG1-CD2 4.37Å; I33-L60 HydrophobicContact CG1-CG 4.24Å; V36-L60 HydrophobicContact CG2-CD2 4.11Å; Y40-L60 HydrophobicContact CE1-CD2 3.97Å; L60-D62 VanDerWaalsContact C-N 3.27Å; L60-D62 PolarHBondContact O-N 2.98Å; L60-M63 HydrophobicContact CD2-SD 4.16Å; L60-F64 HydrophobicContact CD2-CD2 4.12Å; L60-F64 HydrophobicContact CD2-CE2 4.09Å; L60-F64 WeakPolarHBondContact O-CB 3.31Å; L60-F64 PolarHBondContact O-N 2.94Å; L60-F64 VanDerWaalsContact O-N 3.17Å |
| 61 | S | 83.7 | Confident | 80.4 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 38% | 0.378 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57 | -36.4 | 174.6 | -55.3 | 0 | 0 | 0 | 0 | 113.3 | E59 | E59-S61 PolarHBondContact O-N 2.93Å; E59-S61 PolarHBondContact OE2-OG 2.81Å |
| 62 | D | 83.6 | Confident | 81.8 | Confident | 107 Ų | 107 | 58.5 Ų | 58.5 | 57% | 0.572 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -101.6 | -36.7 | -170.5 | -55.2 | -60.9 | 0 | 0 | 0 | 110.6 | V58 E59 L60 F64 | V58-D62 HydrophobicContact CG1-CB 3.9Å; E59-D62 PolarHBondContact O-N 3.24Å; L60-D62 VanDerWaalsContact C-N 3.27Å; L60-D62 PolarHBondContact O-N 2.98Å; D62-F64 VanDerWaalsContact C-N 3.3Å; D62-F64 PolarHBondContact O-N 2.88Å |
| 63 | M | 85.3 | Confident | 83.2 | Confident | 27 Ų | 27 | 53 Ų | 53 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -33 | 170.4 | -58.9 | 176.5 | 90.9 | 0 | 0 | 113.4 | V36 Y40 V58 E59 L60 | V36-M63 HydrophobicContact CG1-CE 4.41Å; Y40-M63 HydrophobicContact CD2-CE 3.94Å; Y40-M63 HydrophobicContact CD2-SD 4.21Å; Y40-M63 HydrophobicContact CE1-SD 4.17Å; Y40-M63 HydrophobicContact CE2-CE 3.98Å; Y40-M63 HydrophobicContact CE2-SD 3.63Å; Y40-M63 HydrophobicContact CG-CE 4.26Å; V58-M63 HydrophobicContact CB-CG 4.29Å; V58-M63 HydrophobicContact CG1-CG 3.96Å; E59-M63 PolarHBondContact O-N 3.07Å; L60-M63 HydrophobicContact CD2-SD 4.16Å |
| 64 | F | 89 | Confident | 84.4 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | trans | -136.9 | 139 | -168.3 | -65.8 | -71.2 | 0 | 0 | 0 | 114.4 | I11 V14 L19 V36 L60 D62 L93 L152 | I11-F64 HydrophobicContact CD1-CB 3.68Å; I11-F64 HydrophobicContact CD1-CD1 3.48Å; I11-F64 VanDerWaalsContact CD1-CD1 3.48Å; I11-F64 HydrophobicContact CD1-CE1 4.42Å; I11-F64 HydrophobicContact CD1-CG 3.86Å; V14-F64 HydrophobicContact CG2-CB 4.27Å; L19-F64 HydrophobicContact CD1-CD1 4.25Å; L19-F64 HydrophobicContact CD1-CD2 3.75Å; L19-F64 HydrophobicContact CD1-CE1 4.39Å; L19-F64 HydrophobicContact CD1-CE2 3.92Å; L19-F64 HydrophobicContact CD1-CG 3.92Å; L19-F64 HydrophobicContact CD1-CZ 4.24Å; L19-F64 HydrophobicContact CD2-CB 4.24Å; L19-F64 HydrophobicContact CD2-CD2 4.13Å; L19-F64 HydrophobicContact CD2-CG 4.35Å; V36-F64 HydrophobicContact CG1-CE2 3.94Å; V36-F64 HydrophobicContact CG1-CZ 3.89Å; V36-F64 HydrophobicContact CG2-CE2 4.32Å; L60-F64 HydrophobicContact CD2-CD2 4.12Å; L60-F64 HydrophobicContact CD2-CE2 4.09Å; L60-F64 WeakPolarHBondContact O-CB 3.31Å; L60-F64 PolarHBondContact O-N 2.94Å; L60-F64 VanDerWaalsContact O-N 3.17Å; D62-F64 VanDerWaalsContact C-N 3.3Å; D62-F64 PolarHBondContact O-N 2.88Å; F64-L93 HydrophobicContact CE1-CD1 4.18Å; F64-L93 HydrophobicContact CZ-CD1 4.16Å; F64-L152 HydrophobicContact CZ-CD1 4.17Å | ||
| 65 | K | 86.6 | Confident | 85.4 | Confident | 131 Ų | 131 | 47.3 Ų | 47.3 | 57% | 0.57 | 25% | 0.245 | S | C | * | . | trans | -120 | 142.5 | -176.4 | -69.7 | 165.3 | -172.9 | 163.9 | 0 | 111.8 | G67 Q68 V272 | K65-G67 PolarHBondContact O-N 2.81Å; K65-Q68 WeakPolarHBondContact O-CB 3.24Å; K65-Q68 PolarHBondContact O-N 2.69Å; K65-V272 HydrophobicContact CB-CG2 4.49Å | ||
| 66 | V | 86 | Confident | 86 | Confident | 63 Ų | 63 | 44.6 Ų | 44.6 | 38% | 0.382 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 132.6 | 177.7 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | K12 V14 I275 F346 | K12-V66 WeakPolarHBondContact O-CG1 3.48Å; V14-V66 HydrophobicContact CG2-CG2 4.38Å; V66-I275 HydrophobicContact CG1-CD1 3.89Å; V66-F346 HydrophobicContact CG1-CE2 4.24Å |
| 67 | G | 84.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -7.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I11 K65 V272 L273 | I11-G67 PolarHBondContact O-N 3.14Å; K65-G67 PolarHBondContact O-N 2.81Å; G67-V272 WeakPolarHBondContact O-CA 3.17Å; G67-L273 PolarHBondContact O-N 2.63Å |
| 68 | Q | 87 | Confident | 85.1 | Confident | 41 Ų | 41 | 42 Ų | 42 | 19% | 0.192 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -67.2 | 138.9 | 178 | -175.7 | 176.3 | -6.5 | 0 | 0 | 112.1 | V10 I11 K65 V70 S271 V272 | V10-Q68 CarbonylContact C-O 3.49Å; V10-Q68 WeakPolarHBondContact CA-O 3.48Å; I11-Q68 HydrophobicContact CD1-CB 4.12Å; I11-Q68 HydrophobicContact CG1-CB 4.33Å; I11-Q68 PolarHBondContact N-O 3.4Å; K65-Q68 WeakPolarHBondContact O-CB 3.24Å; K65-Q68 PolarHBondContact O-N 2.69Å; Q68-V70 HydrophobicContact CG-CG1 4.47Å; Q68-S271 CarbonylContact C-O 3.57Å; Q68-S271 WeakPolarHBondContact CA-O 3.5Å; Q68-S271 WeakPolarHBondContact CG-O 3.5Å; Q68-V272 HydrophobicContact CB-CG2 4.2Å |
| 69 | T | 87.7 | Confident | 83.9 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 135.1 | 175.8 | 55 | 0 | 0 | 0 | 0 | 111.2 | G9 V10 I269 S271 L273 | G9-T69 WeakPolarHBondContact O-CA 3.25Å; V10-T69 HydrophobicContact CG2-CG2 4.31Å; T69-I269 HydrophobicContact CG2-CG2 3.79Å; T69-S271 PolarHBondContact N-O 3.26Å; T69-L273 HydrophobicContact CG2-CD1 4.46Å; T69-L273 HydrophobicContact CG2-CD2 4.45Å; T69-L273 HydrophobicContact CG2-CG 4.15Å |
| 70 | V | 90.4 | Very high | 82.2 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 145.1 | -175.1 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | G9 I11 V21 Q68 L93 | G9-V70 PolarHBondContact N-O 2.92Å; G9-V70 PolarHBondContact O-N 3.33Å; I11-V70 HydrophobicContact CD1-CG1 3.92Å; I11-V70 HydrophobicContact CG1-CG1 4.07Å; I11-V70 HydrophobicContact CG1-CG2 4.03Å; V21-V70 HydrophobicContact CG1-CG2 3.82Å; V21-V70 HydrophobicContact CG2-CG2 4.38Å; Q68-V70 HydrophobicContact CG-CG1 4.47Å; V70-L93 HydrophobicContact CB-CD2 4.04Å; V70-L93 HydrophobicContact CG1-CD1 4.47Å; V70-L93 HydrophobicContact CG2-CD2 4.07Å |
| 71 | R | 91.3 | Very high | 79.9 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 9% | 0.087 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129 | 175.2 | -68.7 | -176.2 | 175.2 | 158.6 | -2 | 110.7 | L93 V98 V112 V114 P198 | R71-L93 WeakPolarHBondContact O-CD2 3.41Å; R71-V98 HydrophobicContact CB-CG1 3.64Å; R71-V112 VanDerWaalsContact CZ-O 3.24Å; R71-V112 PolarHBondContact NH1-O 3.11Å; R71-V112 PolarHBondContact NH2-O 2.86Å; R71-V114 HydrophobicContact CG-CG2 4.5Å; R71-P198 PolarHBondContact NE-O 2.88Å |
| 72 | C | 92.3 | Very high | 77.4 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.1 | -167.4 | -66.2 | 0 | 0 | 0 | 0 | 111.2 | L6 A7 L23 V91 | L6-C72 WeakPolarHBondContact CA-O 3.37Å; A7-C72 HydrophobicContact CB-CB 4.29Å; A7-C72 PolarHBondContact N-O 3.31Å; A7-C72 WeakPolarHBondContact O-CB 3.18Å; A7-C72 PolarHBondContact O-N 2.93Å; L23-C72 HydrophobicContact CD2-CB 4.11Å; C72-V91 HydrophobicContact CB-CG1 3.5Å |
| 73 | F | 92.9 | Very high | 74.8 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 4% | 0.039 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 121.3 | 163.9 | -179.2 | -85.7 | 0 | 0 | 0 | 109.7 | E4 L6 K75 V91 S92 M97 V98 | E4-F73 HydrophobicContact CB-CE2 4.01Å; E4-F73 HydrophobicContact CB-CZ 3.86Å; E4-F73 HydrophobicContact CG-CE2 4.37Å; E4-F73 HydrophobicContact CG-CZ 3.77Å; L6-F73 HydrophobicContact CD2-CB 4.2Å; L6-F73 HydrophobicContact CD2-CD2 3.88Å; F73-K75 HydrophobicContact CD1-CG 3.96Å; F73-K75 HydrophobicContact CE1-CG 4.06Å; F73-K75 PolarHBondContact O-N 2.84Å; F73-V91 VanDerWaalsContact O-CA 3.31Å; F73-V91 WeakPolarHBondContact O-CA 3.24Å; F73-S92 PolarHBondContact N-O 3.42Å; F73-S92 PolarHBondContact O-N 2.81Å; F73-M97 HydrophobicContact CB-CB 4.03Å; F73-M97 HydrophobicContact CD1-CB 4.19Å; F73-M97 HydrophobicContact CD1-CE 3.77Å; F73-M97 HydrophobicContact CD1-SD 4.3Å; F73-M97 HydrophobicContact CD2-CB 4.25Å; F73-M97 VanDerWaalsContact CD2-O 3.23Å; F73-M97 WeakPolarHBondContact CD2-O 3.49Å; F73-M97 HydrophobicContact CE1-CE 3.46Å; F73-M97 VanDerWaalsContact CE1-CE 3.46Å; F73-M97 HydrophobicContact CG-CB 3.9Å; F73-M97 HydrophobicContact CZ-CE 3.99Å; F73-V98 HydrophobicContact CB-CG2 4.31Å |
| 74 | I | 91.6 | Very high | 72.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 108.2 | 178.4 | -62.2 | 177.3 | 0 | 0 | 0 | 109.4 | M1 E4 T5 A7 L23 Y89 V91 | M1-I74 HydrophobicContact CB-CD1 4.08Å; M1-I74 HydrophobicContact CE-CD1 3.61Å; M1-I74 HydrophobicContact CG-CD1 3.92Å; M1-I74 HydrophobicContact SD-CD1 3.63Å; E4-I74 PolarHBondContact N-O 3.39Å; T5-I74 WeakPolarHBondContact O-CB 3.4Å; T5-I74 WeakPolarHBondContact O-CG1 3.47Å; T5-I74 PolarHBondContact O-N 2.86Å; A7-I74 HydrophobicContact CB-CD1 4.42Å; L23-I74 HydrophobicContact CD1-CD1 4.44Å; I74-Y89 HydrophobicContact CG2-CD1 3.77Å; I74-Y89 HydrophobicContact CG2-CE1 4.5Å; I74-Y89 HydrophobicContact CG2-CG 4.31Å; I74-V91 HydrophobicContact CG1-CG2 4.45Å |
| 75 | K | 87.2 | Confident | 70.3 | Confident | 66 Ų | 66 | 61 Ų | 61 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -63.6 | 174.7 | -71.6 | -175.4 | 166.9 | 179.9 | 0 | 110.7 | N3 D35 F73 I90 M97 | N3-K75 WeakPolarHBondContact CB-O 3.18Å; N3-K75 PolarHBondContact ND2-O 3Å; D35-K75 IonicContact OD1-NZ 3.55Å; D35-K75 PolarHBondContact OD1-NZ 3.48Å; F73-K75 HydrophobicContact CD1-CG 3.96Å; F73-K75 HydrophobicContact CE1-CG 4.06Å; F73-K75 PolarHBondContact O-N 2.84Å; K75-I90 HydrophobicContact CB-CG2 4.36Å; K75-I90 HydrophobicContact CD-CG2 4.35Å; K75-I90 PolarHBondContact N-O 2.94Å; K75-M97 HydrophobicContact CD-SD 4.49Å; K75-M97 WeakPolarHBondContact CE-SD 3.32Å; K75-M97 HydrophobicContact CG-CE 4.43Å |
| 76 | E | 82.7 | Confident | 68.7 | Low | 116 Ų | 116 | 58.9 Ų | 58.9 | 54% | 0.542 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 164.8 | -168.6 | -66.6 | -176.6 | -174.5 | 0 | 0 | 112.5 | Y89 I90 | E76-Y89 CarbonylContact O-C 3.55Å; E76-Y89 VanDerWaalsContact O-CA 3.25Å; E76-Y89 WeakPolarHBondContact O-CA 3.5Å; E76-Y89 WeakPolarHBondContact O-CB 3.42Å; E76-I90 PolarHBondContact N-O 3.41Å; E76-I90 PolarHBondContact O-N 2.98Å |
| 77 | A | 69.8 | Low | 67.5 | Low | 29 Ų | 29 | 61.7 Ų | 61.7 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 120.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | N79 Y89 | A77-N79 PolarHBondContact O-N 3.47Å; A77-N79 PolarHBondContact O-ND2 2.78Å; A77-Y89 HydrophobicContact CB-CD1 4Å; A77-Y89 HydrophobicContact CB-CE1 3.99Å |
| 78 | D | 63.7 | Low | 67 | Low | 46 Ų | 46 | 64.2 Ų | 64.2 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 100.8 | 178.7 | 172.7 | 17.4 | 0 | 0 | 0 | 110.3 | S80 R88 | D78-S80 WeakPolarHBondContact OD1-CB 3.46Å; D78-S80 PolarHBondContact OD1-N 3.41Å; D78-S80 PolarHBondContact OD1-OG 2.97Å; D78-R88 HydrophobicContact CB-CB 3.88Å; D78-R88 PolarHBondContact N-O 2.9Å |
| 79 | N | 56.2 | Low | 67 | Low | 132 Ų | 132 | 63.1 Ų | 63.1 | 71% | 0.706 | 37% | 0.367 | S | S | * | . | trans | -91.1 | 4.7 | 177.9 | -65.7 | -52.1 | 0 | 0 | 0 | 113.1 | A77 R81 | A77-N79 PolarHBondContact O-N 3.47Å; A77-N79 PolarHBondContact O-ND2 2.78Å; N79-R81 PolarHBondContact O-N 2.93Å | ||
| 80 | S | 47.5 | Very low | 67.1 | Low | 91 Ų | 91 | 64.2 Ų | 64.2 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | trans | -70.5 | -2.5 | -166.4 | 69.1 | 0 | 0 | 0 | 0 | 116.3 | D78 | D78-S80 WeakPolarHBondContact OD1-CB 3.46Å; D78-S80 PolarHBondContact OD1-N 3.41Å; D78-S80 PolarHBondContact OD1-OG 2.97Å | ||
| 81 | R | 39.6 | Very low | 67.1 | Low | 164 Ų | 164 | 63.5 Ų | 63.5 | 62% | 0.619 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -132.4 | 121.5 | -176.1 | -65.9 | -175.3 | 177.1 | -176.7 | -1.6 | 112.6 | N79 S83 | N79-R81 PolarHBondContact O-N 2.93Å; R81-S83 PolarHBondContact O-N 3.01Å |
| 82 | G | 30.5 | Very low | 67.2 | Low | 71 Ų | 71 | 62.4 Ų | 62.4 | 73% | 0.732 | 36% | 0.363 | S | S | * | . | trans | -67.1 | 125.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G84 | G82-G84 PolarHBondContact O-N 3.06Š| ||
| 83 | S | 28.8 | Very low | 67.3 | Low | 130 Ų | 130 | 62.6 Ų | 62.6 | 91% | 0.909 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 53 | -2.2 | 152.1 | -162.1 | 0 | 0 | 0 | 0 | 121 | R81 | R81-S83 PolarHBondContact O-N 3.01Š|
| 84 | G | 37.6 | Very low | 67.3 | Low | 59 Ų | 59 | 62.9 Ų | 62.9 | 61% | 0.608 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -136.5 | 4.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | G82 | G82-G84 PolarHBondContact O-N 3.06Š|
| 85 | S | 42.1 | Very low | 67.3 | Low | 66 Ų | 66 | 63 Ų | 63 | 46% | 0.462 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -124.1 | 161.8 | 178 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 86 | T | 52.6 | Low | 67.5 | Low | 85 Ų | 85 | 64.1 Ų | 64.1 | 52% | 0.521 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -55 | 140.6 | 169.9 | 33 | 0 | 0 | 0 | 0 | 110.5 | R88 | T86-R88 PolarHBondContact O-N 3.5Š|
| 87 | K | 61.9 | Low | 67.9 | Low | 123 Ų | 123 | 61 Ų | 61 | 54% | 0.535 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 125.8 | 174.3 | -79.3 | -157 | 170.9 | -149 | 0 | 109.4 | F27 | F27-K87 HydrophobicContact CD1-CB 4.27Å; F27-K87 HydrophobicContact CE1-CB 4.36Å |
| 88 | R | 74.8 | Confident | 68.8 | Low | 52 Ų | 52 | 59.7 Ų | 59.7 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 154.4 | 171.5 | -72.4 | 178.2 | 170.3 | -133.1 | -15.8 | 109.8 | E20 L28 D78 T86 | E20-R88 IonicContact OE1-CZ 2.81Å; E20-R88 IonicContact OE1-NH1 2.89Å; E20-R88 PolarHBondContact OE1-NH1 2.91Å; E20-R88 IonicContact OE1-NH2 2.71Å; E20-R88 PolarHBondContact OE1-NH2 3Å; E20-R88 IonicContact OE2-CZ 3.32Å; E20-R88 IonicContact OE2-NH2 2.62Å; E20-R88 PolarHBondContact OE2-NH2 3.21Å; L28-R88 HydrophobicContact CB-CG 4.4Å; L28-R88 HydrophobicContact CD2-CG 4.29Å; L28-R88 VanDerWaalsContact CD2-NH2 3.32Å; L28-R88 CarbonylContact O-C 3.55Å; L28-R88 WeakPolarHBondContact O-CA 3.32Å; D78-R88 HydrophobicContact CB-CB 3.88Å; D78-R88 PolarHBondContact N-O 2.9Å; T86-R88 PolarHBondContact O-N 3.5Å |
| 89 | Y | 86.1 | Confident | 70.1 | Confident | 18 Ų | 18 | 57.6 Ų | 57.6 | 7% | 0.071 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.5 | 172.4 | -65 | -93.5 | 0 | 0 | 0 | 109.4 | M1 L23 F27 L28 G29 R30 I74 E76 A77 | M1-Y89 HydrophobicContact SD-CE2 4.35Å; L23-Y89 HydrophobicContact CD1-CD2 4.33Å; F27-Y89 HydrophobicContact CB-CD2 4.17Å; F27-Y89 HydrophobicContact CB-CE2 3.78Å; F27-Y89 AromaticContact CD1-CE2 3.73Å; F27-Y89 HydrophobicContact CD1-CE2 3.73Å; F27-Y89 HydrophobicContact CD2-CE2 4.27Å; F27-Y89 HydrophobicContact CE1-CE2 4.37Å; F27-Y89 AromaticContact CG-CE2 3.67Å; F27-Y89 HydrophobicContact CG-CE2 3.67Å; L28-Y89 PolarHBondContact O-N 3.07Å; G29-Y89 CarbonylContact C-O 3.59Å; G29-Y89 WeakPolarHBondContact CA-O 3.46Å; R30-Y89 PolarHBondContact N-O 2.92Å; I74-Y89 HydrophobicContact CG2-CD1 3.77Å; I74-Y89 HydrophobicContact CG2-CE1 4.5Å; I74-Y89 HydrophobicContact CG2-CG 4.31Å; E76-Y89 CarbonylContact O-C 3.55Å; E76-Y89 VanDerWaalsContact O-CA 3.25Å; E76-Y89 WeakPolarHBondContact O-CA 3.5Å; E76-Y89 WeakPolarHBondContact O-CB 3.42Å; A77-Y89 HydrophobicContact CB-CD1 4Å; A77-Y89 HydrophobicContact CB-CE1 3.99Å |
| 90 | I | 89.3 | Confident | 71.5 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 27% | 0.272 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127.9 | 166.6 | -58.5 | 176.1 | 0 | 0 | 0 | 106.9 | K75 E76 | K75-I90 HydrophobicContact CB-CG2 4.36Å; K75-I90 HydrophobicContact CD-CG2 4.35Å; K75-I90 PolarHBondContact N-O 2.94Å; E76-I90 PolarHBondContact N-O 3.41Å; E76-I90 PolarHBondContact O-N 2.98Å |
| 91 | V | 91.8 | Very high | 73.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 145.9 | -170.4 | 174.7 | 0 | 0 | 0 | 0 | 109.1 | L23 R30 V31 C72 F73 I74 | L23-V91 HydrophobicContact CD1-CG2 4.22Å; R30-V91 PolarHBondContact O-N 2.86Å; V31-V91 WeakPolarHBondContact CA-O 3.25Å; V31-V91 HydrophobicContact CG2-CB 4.05Å; V31-V91 HydrophobicContact CG2-CG1 3.95Å; C72-V91 HydrophobicContact CB-CG1 3.5Å; F73-V91 VanDerWaalsContact O-CA 3.31Å; F73-V91 WeakPolarHBondContact O-CA 3.24Å; I74-V91 HydrophobicContact CG1-CG2 4.45Å |
| 92 | S | 93.4 | Very high | 75.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 148.1 | 169.1 | -180 | 0 | 0 | 0 | 0 | 111.2 | D35 F73 N94 | D35-S92 PolarHBondContact O-OG 2.87Å; F73-S92 PolarHBondContact N-O 3.42Å; F73-S92 PolarHBondContact O-N 2.81Å; S92-N94 WeakPolarHBondContact OG-CB 3.4Å; S92-N94 PolarHBondContact OG-N 2.86Å; S92-N94 VanDerWaalsContact OG-N 3.17Å |
| 93 | L | 93.6 | Very high | 77.8 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | trans | -102.8 | -3.8 | 173.2 | -53.2 | -179.5 | 0 | 0 | 0 | 111.8 | L19 V31 D35 V36 F64 V70 R71 L152 | L19-L93 HydrophobicContact CD1-CD1 3.88Å; V31-L93 HydrophobicContact CG1-CD1 4.2Å; V31-L93 HydrophobicContact CG1-CG 3.92Å; V31-L93 HydrophobicContact CG2-CD1 4.26Å; V31-L93 HydrophobicContact CG2-CD2 4.07Å; V31-L93 HydrophobicContact CG2-CG 3.87Å; D35-L93 PolarHBondContact O-N 2.86Å; V36-L93 CarbonylContact O-C 3.55Å; F64-L93 HydrophobicContact CE1-CD1 4.18Å; F64-L93 HydrophobicContact CZ-CD1 4.16Å; V70-L93 HydrophobicContact CB-CD2 4.04Å; V70-L93 HydrophobicContact CG1-CD1 4.47Å; V70-L93 HydrophobicContact CG2-CD2 4.07Å; R71-L93 WeakPolarHBondContact O-CD2 3.41Å; L93-L152 HydrophobicContact CB-CD1 3.59Å; L93-L152 HydrophobicContact CD1-CD1 4.37Å | ||
| 94 | N | 93.1 | Very high | 80.2 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | trans | -56.2 | 123.8 | -174.6 | -175.7 | -28.5 | 0 | 0 | 0 | 111.5 | D35 V36 D38 S92 K96 M97 V98 | D35-N94 PolarHBondContact O-N 2.99Å; V36-N94 WeakPolarHBondContact O-CA 3.42Å; V36-N94 PolarHBondContact O-N 2.96Å; D38-N94 PolarHBondContact OD1-ND2 3.33Å; S92-N94 WeakPolarHBondContact OG-CB 3.4Å; S92-N94 PolarHBondContact OG-N 2.86Å; S92-N94 VanDerWaalsContact OG-N 3.17Å; N94-K96 PolarHBondContact O-N 3.19Å; N94-K96 VanDerWaalsContact O-N 3.12Å; N94-K96 PolarHBondContact OD1-N 2.85Å; N94-M97 HydrophobicContact CB-CG 4.32Å; N94-M97 PolarHBondContact O-N 2.81Å; N94-V98 PolarHBondContact O-N 3.03Å | ||
| 95 | P | 91.7 | Very high | 82 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -50.1 | -37.8 | 179.3 | -30.3 | 36.1 | 0 | 0 | 0 | 114.1 | M97 V98 N99 L152 | P95-M97 PolarHBondContact O-N 2.84Å; P95-V98 PolarHBondContact O-N 2.86Å; P95-N99 WeakPolarHBondContact O-CB 3.21Å; P95-N99 PolarHBondContact O-N 2.64Å; P95-L152 HydrophobicContact CG-CD2 3.88Å |
| 96 | K | 90.2 | Very high | 83.7 | Confident | 91 Ų | 91 | 49.6 Ų | 49.6 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.5 | -21.8 | 178.9 | -67.4 | 175.2 | -168.6 | 171.7 | 0 | 113.5 | D38 N94 D128 G130 | D38-K96 VanDerWaalsContact OD2-CD 3.25Å; D38-K96 WeakPolarHBondContact OD2-CD 3.39Å; D38-K96 WeakPolarHBondContact OD2-CE 3.49Å; D38-K96 IonicContact OD2-NZ 3.73Å; D38-K96 PolarHBondContact OD2-NZ 3.17Å; N94-K96 PolarHBondContact O-N 3.19Å; N94-K96 VanDerWaalsContact O-N 3.12Å; N94-K96 PolarHBondContact OD1-N 2.85Å; K96-D128 WeakPolarHBondContact CE-OD2 3.47Å; K96-D128 IonicContact NZ-OD2 3.18Å; K96-G130 VanDerWaalsContact CG-CA 3.43Å |
| 97 | M | 90.8 | Very high | 84.9 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -96.3 | -41.4 | 173.8 | -56.8 | -156.1 | 80.8 | 0 | 0 | 112.1 | F73 K75 N94 P95 K100 | F73-M97 HydrophobicContact CB-CB 4.03Å; F73-M97 HydrophobicContact CD1-CB 4.19Å; F73-M97 HydrophobicContact CD1-CE 3.77Å; F73-M97 HydrophobicContact CD1-SD 4.3Å; F73-M97 HydrophobicContact CD2-CB 4.25Å; F73-M97 VanDerWaalsContact CD2-O 3.23Å; F73-M97 WeakPolarHBondContact CD2-O 3.49Å; F73-M97 HydrophobicContact CE1-CE 3.46Å; F73-M97 VanDerWaalsContact CE1-CE 3.46Å; F73-M97 HydrophobicContact CG-CB 3.9Å; F73-M97 HydrophobicContact CZ-CE 3.99Å; K75-M97 HydrophobicContact CD-SD 4.49Å; K75-M97 WeakPolarHBondContact CE-SD 3.32Å; K75-M97 HydrophobicContact CG-CE 4.43Å; N94-M97 HydrophobicContact CB-CG 4.32Å; N94-M97 PolarHBondContact O-N 2.81Å; P95-M97 PolarHBondContact O-N 2.84Å; M97-K100 WeakPolarHBondContact O-CB 3.32Å |
| 98 | V | 90.5 | Very high | 85.3 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.2 | -40.5 | -178.6 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | L6 R71 F73 N94 P95 | L6-V98 WeakPolarHBondContact CD2-O 3.2Å; R71-V98 HydrophobicContact CB-CG1 3.64Å; F73-V98 HydrophobicContact CB-CG2 4.31Å; N94-V98 PolarHBondContact O-N 3.03Å; P95-V98 PolarHBondContact O-N 2.86Å |
| 99 | N | 89.6 | Confident | 85.1 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.011 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 13.6 | -178.8 | -53.2 | -37.8 | 0 | 0 | 0 | 112.6 | P95 A101 V102 V114 P129 V131 | P95-N99 WeakPolarHBondContact O-CB 3.21Å; P95-N99 PolarHBondContact O-N 2.64Å; N99-A101 PolarHBondContact O-N 2.75Å; N99-V102 HydrophobicContact CB-CG2 4.06Å; N99-V102 WeakPolarHBondContact O-CB 3.25Å; N99-V102 WeakPolarHBondContact O-CG2 3.4Å; N99-V102 PolarHBondContact O-N 2.88Å; N99-V114 PolarHBondContact ND2-O 2.84Å; N99-P129 PolarHBondContact ND2-O 3.41Å; N99-V131 HydrophobicContact CB-CG2 3.81Å |
| 100 | K | 86.9 | Confident | 84.3 | Confident | 129 Ų | 129 | 46.9 Ų | 46.9 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49 | -31.7 | -174.1 | 178.1 | -178.6 | 167 | -177 | 0 | 114.9 | E4 M97 | E4-K100 IonicContact OE1-NZ 2.68Å; E4-K100 PolarHBondContact OE1-NZ 2.75Å; E4-K100 IonicContact OE2-NZ 2.94Å; M97-K100 WeakPolarHBondContact O-CB 3.32Å |
| 101 | A | 83 | Confident | 83.7 | Confident | 42 Ų | 42 | 45 Ų | 45 | 35% | 0.347 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -18.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N99 I103 | N99-A101 PolarHBondContact O-N 2.75Å; A101-I103 PolarHBondContact O-N 3.24Å |
| 102 | V | 84.8 | Confident | 83.1 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | trans | -69.7 | 122.3 | -169.1 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | N99 V107 F113 V131 L197 | N99-V102 HydrophobicContact CB-CG2 4.06Å; N99-V102 WeakPolarHBondContact O-CB 3.25Å; N99-V102 WeakPolarHBondContact O-CG2 3.4Å; N99-V102 PolarHBondContact O-N 2.88Å; V102-V107 HydrophobicContact CG1-CG2 3.96Å; V102-F113 HydrophobicContact CG1-CE1 3.78Å; V102-F113 HydrophobicContact CG1-CZ 4.32Å; V102-F113 HydrophobicContact CG2-CD1 4.49Å; V102-F113 HydrophobicContact CG2-CE1 4.01Å; V102-V131 HydrophobicContact CB-CG2 3.93Å; V102-V131 HydrophobicContact CG1-CG1 4.47Å; V102-V131 HydrophobicContact CG1-CG2 4.14Å; V102-V131 WeakPolarHBondContact O-CG1 3.35Å; V102-L197 HydrophobicContact CG2-CD1 4.41Å; V102-L197 HydrophobicContact CG2-CD2 4.45Å | ||
| 103 | I | 81.4 | Confident | 82.7 | Confident | 82 Ų | 82 | 46.4 Ų | 46.4 | 42% | 0.421 | 23% | 0.233 | S | C | . | . | trans | -96.9 | 123.9 | 174.1 | -58.8 | 173.1 | 0 | 0 | 0 | 108.4 | A101 K105 N106 | A101-I103 PolarHBondContact O-N 3.24Å; I103-K105 HydrophobicContact CG2-CB 4.28Å; I103-K105 PolarHBondContact O-N 2.75Å; I103-K105 VanDerWaalsContact O-N 3.09Å; I103-N106 WeakPolarHBondContact O-CB 3.36Å; I103-N106 PolarHBondContact O-N 3.11Å | ||
| 104 | S | 78.4 | Confident | 82.4 | Confident | 42 Ų | 42 | 47.4 Ų | 47.4 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -54.5 | -32.1 | -175.4 | 53.1 | 0 | 0 | 0 | 0 | 114.7 | N106 | S104-N106 PolarHBondContact O-N 3.35Š|
| 105 | K | 75.6 | Confident | 82.2 | Confident | 188 Ų | 188 | 46.7 Ų | 46.7 | 82% | 0.817 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -65.4 | -19.7 | 174.3 | -64.5 | -174.6 | 176.9 | -175.3 | 0 | 114.9 | I103 | I103-K105 HydrophobicContact CG2-CB 4.28Å; I103-K105 PolarHBondContact O-N 2.75Å; I103-K105 VanDerWaalsContact O-N 3.09Å |
| 106 | N | 78.2 | Confident | 82.2 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -103.1 | -3.1 | -173 | -62.2 | -18.5 | 0 | 0 | 0 | 112.9 | I103 S104 N192 C195 | I103-N106 WeakPolarHBondContact O-CB 3.36Å; I103-N106 PolarHBondContact O-N 3.11Å; S104-N106 PolarHBondContact O-N 3.35Å; N106-N192 PolarHBondContact ND2-ND2 3.37Å; N106-C195 PolarHBondContact O-SG 3.49Å |
| 107 | V | 76.9 | Confident | 82.3 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | trans | -65 | 148.5 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 109.8 | V102 F113 M134 P157 L163 | V102-V107 HydrophobicContact CG1-CG2 3.96Å; V107-F113 HydrophobicContact CG1-CE2 3.81Å; V107-F113 HydrophobicContact CG1-CZ 4.07Å; V107-F113 HydrophobicContact CG2-CE2 4.41Å; V107-F113 HydrophobicContact CG2-CZ 3.95Å; V107-M134 HydrophobicContact CG2-SD 4.16Å; V107-P157 HydrophobicContact CG1-CG 3.7Å; V107-L163 HydrophobicContact CB-CD2 3.96Å; V107-L163 HydrophobicContact CG1-CD2 4.22Å; V107-L163 WeakPolarHBondContact O-CD2 3.43Å | ||
| 108 | K | 71.7 | Confident | 82.3 | Confident | 96 Ų | 96 | 42.7 Ų | 42.7 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | trans | -137.9 | 158.7 | 173.7 | -66.3 | -173.6 | 172.7 | -177.8 | 0 | 110.2 | M111 R190 | K108-M111 HydrophobicContact CB-CE 3.98Å; K108-M111 HydrophobicContact CB-CG 4.31Å; K108-M111 HydrophobicContact CB-SD 4.09Å; K108-M111 HydrophobicContact CD-CE 4.35Å; K108-M111 HydrophobicContact CG-CE 4.12Å; K108-M111 PolarHBondContact N-SD 3.33Å; K108-M111 WeakPolarHBondContact O-CB 3.42Å; K108-M111 PolarHBondContact O-N 2.81Å; K108-R190 PolarHBondContact NZ-O 2.87Å | ||
| 109 | P | 69.9 | Low | 82.2 | Confident | 49 Ų | 49 | 44 Ų | 44 | 32% | 0.318 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 152.5 | 164.6 | -25.5 | 35.3 | 0 | 0 | 0 | 111.6 | M111 | P109-M111 PolarHBondContact O-N 2.87Å; P109-M111 VanDerWaalsContact O-N 3.14Å |
| 110 | H | 68.8 | Low | 82.2 | Confident | 68 Ų | 68 | 47.4 Ų | 47.4 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | -4.8 | -177.4 | -41.1 | -68.9 | 0 | 0 | 0 | 116.3 | V112 T156 L182 | H110-V112 PolarHBondContact O-N 3.4Å; H110-T156 WeakPolarHBondContact CA-OG1 3.45Å; H110-T156 PolarHBondContact N-OG1 3.34Å; H110-T156 VanDerWaalsContact N-OG1 3.13Å; H110-L182 WeakPolarHBondContact CB-O 3.42Å |
| 111 | M | 76.8 | Confident | 82.1 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.069 | 24% | 0.241 | C | C | . | . | trans | -71.7 | 116.8 | 167 | -68.2 | -177.1 | 170.5 | 0 | 0 | 110.1 | K108 P109 F113 P157 V191 C195 | K108-M111 HydrophobicContact CB-CE 3.98Å; K108-M111 HydrophobicContact CB-CG 4.31Å; K108-M111 HydrophobicContact CB-SD 4.09Å; K108-M111 HydrophobicContact CD-CE 4.35Å; K108-M111 HydrophobicContact CG-CE 4.12Å; K108-M111 PolarHBondContact N-SD 3.33Å; K108-M111 WeakPolarHBondContact O-CB 3.42Å; K108-M111 PolarHBondContact O-N 2.81Å; P109-M111 PolarHBondContact O-N 2.87Å; P109-M111 VanDerWaalsContact O-N 3.14Å; M111-F113 HydrophobicContact CB-CD2 4.4Å; M111-F113 HydrophobicContact CB-CE2 3.48Å; M111-F113 VanDerWaalsContact CB-CE2 3.48Å; M111-F113 HydrophobicContact CB-CZ 3.68Å; M111-F113 VanDerWaalsContact O-CD2 3.26Å; M111-F113 WeakPolarHBondContact O-CD2 3.39Å; M111-F113 WeakPolarHBondContact O-CE2 2.97Å; M111-F113 HydrophobicContact SD-CZ 4.14Å; M111-P157 WeakPolarHBondContact O-CD 3.26Å; M111-V191 HydrophobicContact CE-CB 4.22Å; M111-V191 HydrophobicContact CE-CG1 3.63Å; M111-V191 HydrophobicContact CE-CG2 3.7Å; M111-C195 HydrophobicContact CE-CB 3.77Å; M111-C195 HydrophobicContact SD-CB 3.79Å | ||
| 112 | V | 79.5 | Confident | 82.2 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | trans | -82.8 | 122.1 | 177.8 | -171.3 | 0 | 0 | 0 | 0 | 110 | R71 H110 P154 F155 L178 | R71-V112 VanDerWaalsContact CZ-O 3.24Å; R71-V112 PolarHBondContact NH1-O 3.11Å; R71-V112 PolarHBondContact NH2-O 2.86Å; H110-V112 PolarHBondContact O-N 3.4Å; V112-P154 HydrophobicContact CG1-CB 4.27Å; V112-F155 CarbonylContact C-O 3.53Å; V112-F155 WeakPolarHBondContact CA-O 3.46Å; V112-L178 HydrophobicContact CB-CD2 4.4Å; V112-L178 HydrophobicContact CG1-CD1 3.98Å; V112-L178 HydrophobicContact CG1-CD2 3.99Å; V112-L178 HydrophobicContact CG2-CD2 3.66Å | ||
| 113 | F | 85.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 169.9 | 173.1 | -61.8 | -78.4 | 0 | 0 | 0 | 110.6 | V102 V107 M111 P154 F155 P157 L197 | V102-F113 HydrophobicContact CG1-CE1 3.78Å; V102-F113 HydrophobicContact CG1-CZ 4.32Å; V102-F113 HydrophobicContact CG2-CD1 4.49Å; V102-F113 HydrophobicContact CG2-CE1 4.01Å; V107-F113 HydrophobicContact CG1-CE2 3.81Å; V107-F113 HydrophobicContact CG1-CZ 4.07Å; V107-F113 HydrophobicContact CG2-CE2 4.41Å; V107-F113 HydrophobicContact CG2-CZ 3.95Å; M111-F113 HydrophobicContact CB-CD2 4.4Å; M111-F113 HydrophobicContact CB-CE2 3.48Å; M111-F113 VanDerWaalsContact CB-CE2 3.48Å; M111-F113 HydrophobicContact CB-CZ 3.68Å; M111-F113 VanDerWaalsContact O-CD2 3.26Å; M111-F113 WeakPolarHBondContact O-CD2 3.39Å; M111-F113 WeakPolarHBondContact O-CE2 2.97Å; M111-F113 HydrophobicContact SD-CZ 4.14Å; F113-P154 CarbonylContact O-C 3.5Å; F113-P154 VanDerWaalsContact O-CA 3.26Å; F113-P154 WeakPolarHBondContact O-CA 3.36Å; F113-F155 HydrophobicContact CB-CD2 4.47Å; F113-F155 HydrophobicContact CB-CE1 3.88Å; F113-F155 HydrophobicContact CB-CE2 3.83Å; F113-F155 HydrophobicContact CB-CZ 3.47Å; F113-F155 VanDerWaalsContact CB-CZ 3.47Å; F113-F155 HydrophobicContact CD2-CE2 4.14Å; F113-F155 HydrophobicContact CG-CE2 4.38Å; F113-F155 HydrophobicContact CG-CZ 4.31Å; F113-F155 PolarHBondContact N-O 3.11Å; F113-F155 PolarHBondContact O-N 3.31Å; F113-P157 HydrophobicContact CE2-CG 4.41Å; F113-L197 HydrophobicContact CD1-CD1 3.95Å; F113-L197 HydrophobicContact CE1-CD1 4.22Å |
| 114 | V | 88.2 | Confident | 82.6 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.2 | 167.8 | 176 | 0 | 0 | 0 | 0 | 108.1 | R71 N99 L152 I153 P154 | R71-V114 HydrophobicContact CG-CG2 4.5Å; N99-V114 PolarHBondContact ND2-O 2.84Å; V114-L152 HydrophobicContact CG1-CB 4.28Å; V114-I153 WeakPolarHBondContact CA-O 3.46Å; V114-P154 HydrophobicContact CG2-CB 4.44Å |
| 115 | G | 88.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 170.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | D128 L152 I153 | G115-D128 CarbonylContact C-O 3.44Å; G115-D128 WeakPolarHBondContact CA-O 3.17Å; G115-L152 WeakPolarHBondContact O-CA 3.43Å; G115-I153 PolarHBondContact N-O 2.97Å; G115-I153 PolarHBondContact O-N 3.12Å |
| 116 | S | 91.9 | Very high | 84 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.3 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | S37 V127 D128 G150 S151 | S37-S116 WeakPolarHBondContact CB-OG 3.39Å; S37-S116 PolarHBondContact OG-OG 3.25Å; S116-V127 CarbonylContact O-C 3.54Å; S116-V127 WeakPolarHBondContact O-CA 3.3Å; S116-D128 PolarHBondContact N-O 3.19Å; S116-D128 PolarHBondContact O-N 2.85Å; S116-G150 PolarHBondContact OG-O 2.95Å; S116-S151 WeakPolarHBondContact CA-O 3.06Å |
| 117 | V | 91.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 133.3 | 165.7 | -179.9 | 0 | 0 | 0 | 0 | 109 | Y125 L147 G150 S151 I153 | V117-Y125 HydrophobicContact CG1-CD1 4.23Å; V117-L147 HydrophobicContact CG2-CB 4.05Å; V117-L147 HydrophobicContact CG2-CD1 4.29Å; V117-G150 WeakPolarHBondContact O-CA 3.44Å; V117-G150 PolarHBondContact O-N 3.43Å; V117-S151 WeakPolarHBondContact CG2-OG 3.47Å; V117-S151 PolarHBondContact N-O 3.34Å; V117-I153 HydrophobicContact CG2-CD1 4.04Å; V117-I153 HydrophobicContact CG2-CG2 4.47Å |
| 118 | V | 90.2 | Very high | 85.2 | Confident | 55 Ų | 55 | 44.4 Ų | 44.4 | 33% | 0.333 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -45.6 | -178.1 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | I126 D128 | V118-I126 HydrophobicContact CB-CG2 4.37Å; V118-I126 PolarHBondContact N-O 2.68Å; V118-D128 HydrophobicContact CG2-CB 3.66Å |
| 119 | S | 89.3 | Confident | 86 | Confident | 30 Ų | 30 | 39.8 Ų | 39.8 | 21% | 0.21 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.5 | 176.6 | 57 | 0 | 0 | 0 | 0 | 110.7 | E121 Y125 I126 | S119-E121 WeakPolarHBondContact CB-OE1 3.36Å; S119-E121 PolarHBondContact OG-OE1 2.81Å; S119-Y125 WeakPolarHBondContact O-CA 3.29Å; S119-I126 PolarHBondContact O-N 3.5Å; S119-I126 WeakPolarHBondContact OG-CB 3.38Å; S119-I126 WeakPolarHBondContact OG-CD1 3.43Å; S119-I126 WeakPolarHBondContact OG-CG1 3.18Å |
| 120 | V | 88.6 | Confident | 86.9 | Confident | 73 Ų | 73 | 38.2 Ų | 38.2 | 44% | 0.442 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125.4 | 168.9 | -173.9 | 0 | 0 | 0 | 0 | 107.4 | Y125 I149 | V120-Y125 HydrophobicContact CB-CD1 4.31Å; V120-Y125 HydrophobicContact CB-CE1 4.4Å; V120-Y125 HydrophobicContact CG1-CD1 4.11Å; V120-Y125 HydrophobicContact CG1-CE1 3.85Å; V120-Y125 HydrophobicContact CG2-CD1 3.97Å; V120-Y125 HydrophobicContact CG2-CE1 3.97Å; V120-I149 HydrophobicContact CG2-CG1 4.23Å |
| 121 | E | 86.8 | Confident | 87.6 | Confident | 74 Ų | 74 | 35.4 Ų | 35.4 | 35% | 0.346 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 165.4 | -179.7 | -52 | -66.9 | 141.9 | 0 | 0 | 109.6 | S119 H123 G124 I126 F137 K140 | S119-E121 WeakPolarHBondContact CB-OE1 3.36Å; S119-E121 PolarHBondContact OG-OE1 2.81Å; E121-H123 VanDerWaalsContact C-N 3.28Å; E121-H123 PolarHBondContact O-N 3.3Å; E121-G124 CarbonylContact C-O 3.4Å; E121-G124 WeakPolarHBondContact CA-O 3.46Å; E121-G124 PolarHBondContact N-O 2.98Å; E121-G124 PolarHBondContact O-N 2.9Å; E121-I126 HydrophobicContact CG-CD1 4.26Å; E121-I126 HydrophobicContact CG-CG1 3.82Å; E121-I126 WeakPolarHBondContact OE1-CD1 3.37Å; E121-F137 HydrophobicContact CB-CE2 4.41Å; E121-F137 HydrophobicContact CG-CE2 4.36Å; E121-K140 WeakPolarHBondContact O-CE 3.41Å; E121-K140 PolarHBondContact O-NZ 2.9Å |
| 122 | D | 84.8 | Confident | 87.8 | Confident | 144 Ų | 144 | 38.7 Ų | 38.7 | 77% | 0.77 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -43.1 | 179.9 | -69.4 | -31.8 | 0 | 0 | 0 | 113.2 | K140 | D122-K140 PolarHBondContact O-NZ 2.87Š|
| 123 | H | 86.3 | Confident | 87.6 | Confident | 154 Ų | 154 | 49.1 Ų | 49.1 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 2.7 | -174.5 | -58 | -34.6 | 0 | 0 | 0 | 114.6 | E121 K140 | E121-H123 VanDerWaalsContact C-N 3.28Å; E121-H123 PolarHBondContact O-N 3.3Å; H123-K140 PolarHBondContact O-N 2.84Å |
| 124 | G | 88.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.1 | -161 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E121 L138 | E121-G124 CarbonylContact C-O 3.4Å; E121-G124 WeakPolarHBondContact CA-O 3.46Å; E121-G124 PolarHBondContact N-O 2.98Å; E121-G124 PolarHBondContact O-N 2.9Å; G124-L138 CarbonylContact C-O 3.59Å; G124-L138 WeakPolarHBondContact CA-O 3.43Å |
| 125 | Y | 91.2 | Very high | 87.1 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.035 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.5 | 175.3 | -55.4 | -92.3 | 0 | 0 | 0 | 109 | V117 S119 V120 L138 K140 V143 L147 | V117-Y125 HydrophobicContact CG1-CD1 4.23Å; S119-Y125 WeakPolarHBondContact O-CA 3.29Å; V120-Y125 HydrophobicContact CB-CD1 4.31Å; V120-Y125 HydrophobicContact CB-CE1 4.4Å; V120-Y125 HydrophobicContact CG1-CD1 4.11Å; V120-Y125 HydrophobicContact CG1-CE1 3.85Å; V120-Y125 HydrophobicContact CG2-CD1 3.97Å; V120-Y125 HydrophobicContact CG2-CE1 3.97Å; Y125-L138 HydrophobicContact CD2-CD2 4.42Å; Y125-L138 HydrophobicContact CD2-CG 4.44Å; Y125-L138 PolarHBondContact N-O 2.78Å; Y125-L138 PolarHBondContact O-N 3.36Å; Y125-K140 HydrophobicContact CD2-CG 4.47Å; Y125-K140 HydrophobicContact CE2-CG 3.89Å; Y125-V143 HydrophobicContact CD2-CG2 4.31Å; Y125-V143 HydrophobicContact CE2-CG2 4.14Å; Y125-L147 HydrophobicContact CD1-CB 4.22Å; Y125-L147 HydrophobicContact CD2-CD1 4.17Å; Y125-L147 HydrophobicContact CE1-CB 3.88Å; Y125-L147 HydrophobicContact CE2-CD1 4.22Å; Y125-L147 HydrophobicContact CE2-CG 4.45Å; Y125-L147 HydrophobicContact CG-CD1 4.4Å; Y125-L147 PolarHBondContact OH-N 3.17Å |
| 126 | I | 91.2 | Very high | 87 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 32% | 0.323 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 130.8 | 167.4 | -58.3 | -173.7 | 0 | 0 | 0 | 108.4 | V118 S119 E121 | V118-I126 HydrophobicContact CB-CG2 4.37Å; V118-I126 PolarHBondContact N-O 2.68Å; S119-I126 PolarHBondContact O-N 3.5Å; S119-I126 WeakPolarHBondContact OG-CB 3.38Å; S119-I126 WeakPolarHBondContact OG-CD1 3.43Å; S119-I126 WeakPolarHBondContact OG-CG1 3.18Å; E121-I126 HydrophobicContact CG-CD1 4.26Å; E121-I126 HydrophobicContact CG-CG1 3.82Å; E121-I126 WeakPolarHBondContact OE1-CD1 3.37Å |
| 127 | V | 90.4 | Very high | 87 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 122.2 | -175.1 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | S116 P129 C136 L138 I153 F155 | S116-V127 CarbonylContact O-C 3.54Å; S116-V127 WeakPolarHBondContact O-CA 3.3Å; V127-P129 VanDerWaalsContact O-CD 3.31Å; V127-P129 WeakPolarHBondContact O-CD 3.11Å; V127-C136 HydrophobicContact CB-CB 4.08Å; V127-C136 PolarHBondContact N-O 2.8Å; V127-C136 WeakPolarHBondContact O-CB 3.47Å; V127-C136 PolarHBondContact O-N 3.05Å; V127-L138 HydrophobicContact CG2-CB 3.88Å; V127-L138 HydrophobicContact CG2-CD2 4.32Å; V127-I153 HydrophobicContact CG1-CD1 4.11Å; V127-I153 HydrophobicContact CG1-CG1 4.25Å; V127-I153 HydrophobicContact CG2-CD1 3.83Å; V127-F155 HydrophobicContact CG1-CD1 4.32Å; V127-F155 HydrophobicContact CG1-CE1 4.23Å |
| 128 | D | 90.8 | Very high | 86.9 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 24% | 0.235 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 112.9 | 169.9 | -179.1 | 14.4 | 0 | 0 | 0 | 109.4 | K96 G115 S116 V118 G130 | K96-D128 WeakPolarHBondContact CE-OD2 3.47Å; K96-D128 IonicContact NZ-OD2 3.18Å; G115-D128 CarbonylContact C-O 3.44Å; G115-D128 WeakPolarHBondContact CA-O 3.17Å; S116-D128 PolarHBondContact N-O 3.19Å; S116-D128 PolarHBondContact O-N 2.85Å; V118-D128 HydrophobicContact CG2-CB 3.66Å; D128-G130 PolarHBondContact O-N 2.99Å; D128-G130 WeakPolarHBondContact OD1-CA 3.27Å; D128-G130 PolarHBondContact OD1-N 3.38Å |
| 129 | P | 88.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -77.7 | -4.7 | 173.4 | 35.8 | -37.8 | 0 | 0 | 0 | 112.7 | N99 V127 V131 M134 F155 | N99-P129 PolarHBondContact ND2-O 3.41Å; V127-P129 VanDerWaalsContact O-CD 3.31Å; V127-P129 WeakPolarHBondContact O-CD 3.11Å; P129-V131 HydrophobicContact CB-CB 4.49Å; P129-V131 HydrophobicContact CB-CG2 4.37Å; P129-V131 HydrophobicContact CG-CB 4.19Å; P129-V131 PolarHBondContact O-N 2.88Å; P129-M134 HydrophobicContact CB-CE 3.61Å; P129-M134 WeakPolarHBondContact CD-O 3.35Å; P129-M134 HydrophobicContact CG-CB 4.18Å; P129-M134 HydrophobicContact CG-CE 3.63Å; P129-M134 HydrophobicContact CG-CG 4.26Å; P129-M134 WeakPolarHBondContact CG-O 3.24Å; P129-F155 HydrophobicContact CB-CE1 4.4Å; P129-F155 HydrophobicContact CB-CZ 3.86Å | ||
| 130 | G | 86.9 | Confident | 86.7 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 68.9 | 14 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K96 D128 | K96-G130 VanDerWaalsContact CG-CA 3.43Å; D128-G130 PolarHBondContact O-N 2.99Å; D128-G130 WeakPolarHBondContact OD1-CA 3.27Å; D128-G130 PolarHBondContact OD1-N 3.38Å |
| 131 | V | 85.4 | Confident | 86.6 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | trans | -104.5 | 125.1 | -177.7 | 174.5 | 0 | 0 | 0 | 0 | 109.5 | N99 V102 P129 R133 M134 | N99-V131 HydrophobicContact CB-CG2 3.81Å; V102-V131 HydrophobicContact CB-CG2 3.93Å; V102-V131 HydrophobicContact CG1-CG1 4.47Å; V102-V131 HydrophobicContact CG1-CG2 4.14Å; V102-V131 WeakPolarHBondContact O-CG1 3.35Å; P129-V131 HydrophobicContact CB-CB 4.49Å; P129-V131 HydrophobicContact CB-CG2 4.37Å; P129-V131 HydrophobicContact CG-CB 4.19Å; P129-V131 PolarHBondContact O-N 2.88Å; V131-R133 PolarHBondContact O-N 3.47Å; V131-M134 HydrophobicContact CB-CB 4.15Å; V131-M134 HydrophobicContact CB-CE 4.04Å; V131-M134 HydrophobicContact CG1-CB 4.06Å; V131-M134 HydrophobicContact CG1-CE 4.37Å; V131-M134 HydrophobicContact CG2-CE 4.13Å; V131-M134 PolarHBondContact O-N 2.99Å; V131-M134 VanDerWaalsContact O-N 3.11Å | ||
| 132 | A | 80 | Confident | 86.3 | Confident | 84 Ų | 84 | 55.6 Ų | 55.6 | 69% | 0.694 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 126 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M134 | A132-M134 VanDerWaalsContact C-N 3.35Š|
| 133 | R | 75.9 | Confident | 86 | Confident | 248 Ų | 248 | 49.6 Ų | 49.6 | 94% | 0.936 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 28 | -178.3 | -46.1 | 178.7 | -177.3 | -175.6 | -0.2 | 114.8 | V131 | V131-R133 PolarHBondContact O-N 3.47Š|
| 134 | M | 80.6 | Confident | 85.5 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 6% | 0.064 | 25% | 0.245 | C | C | . | . | trans | -126.7 | 106.2 | 171.5 | -169.6 | 170.4 | 85.8 | 0 | 0 | 109.9 | V107 P129 V131 A132 L172 | V107-M134 HydrophobicContact CG2-SD 4.16Å; P129-M134 HydrophobicContact CB-CE 3.61Å; P129-M134 WeakPolarHBondContact CD-O 3.35Å; P129-M134 HydrophobicContact CG-CB 4.18Å; P129-M134 HydrophobicContact CG-CE 3.63Å; P129-M134 HydrophobicContact CG-CG 4.26Å; P129-M134 WeakPolarHBondContact CG-O 3.24Å; V131-M134 HydrophobicContact CB-CB 4.15Å; V131-M134 HydrophobicContact CB-CE 4.04Å; V131-M134 HydrophobicContact CG1-CB 4.06Å; V131-M134 HydrophobicContact CG1-CE 4.37Å; V131-M134 HydrophobicContact CG2-CE 4.13Å; V131-M134 PolarHBondContact O-N 2.99Å; V131-M134 VanDerWaalsContact O-N 3.11Å; A132-M134 VanDerWaalsContact C-N 3.35Å; M134-L172 HydrophobicContact CG-CD2 4.34Å; M134-L172 HydrophobicContact SD-CD2 4.06Å | ||
| 135 | N | 81.9 | Confident | 85 | Confident | 96 Ų | 96 | 53 Ų | 53 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | trans | -102.5 | 133.1 | 173.9 | -64.8 | 23.8 | 0 | 0 | 0 | 108.4 | V171 L172 | N135-V171 HydrophobicContact CB-CG2 4.49Å; N135-V171 WeakPolarHBondContact O-CA 3.48Å; N135-L172 PolarHBondContact O-N 2.78Å | ||
| 136 | C | 87.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 140.9 | -178.6 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | V127 L172 V174 | V127-C136 HydrophobicContact CB-CB 4.08Å; V127-C136 PolarHBondContact N-O 2.8Å; V127-C136 WeakPolarHBondContact O-CB 3.47Å; V127-C136 PolarHBondContact O-N 3.05Å; C136-L172 CarbonylContact C-O 3.57Å; C136-L172 WeakPolarHBondContact CA-O 3.15Å; C136-V174 HydrophobicContact CB-CG1 3.87Å; C136-V174 HydrophobicContact CB-CG2 4.03Å |
| 137 | F | 90.6 | Very high | 84.1 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 23% | 0.232 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.9 | 169.4 | 178.3 | -94.7 | 0 | 0 | 0 | 109.7 | E121 P139 V171 L172 V174 | E121-F137 HydrophobicContact CB-CE2 4.41Å; E121-F137 HydrophobicContact CG-CE2 4.36Å; F137-P139 HydrophobicContact CD1-CG 4.09Å; F137-P139 HydrophobicContact CE1-CB 4.27Å; F137-P139 HydrophobicContact CE1-CG 3.96Å; F137-V171 HydrophobicContact CB-CG1 3.66Å; F137-L172 PolarHBondContact N-O 2.77Å; F137-V174 WeakPolarHBondContact O-CG2 3.27Å; F137-V174 PolarHBondContact O-N 2.88Å |
| 138 | L | 89.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 105.5 | -179 | 175.1 | 58.8 | 0 | 0 | 0 | 109.3 | G124 Y125 V127 Q142 V143 L147 I153 V174 T176 | G124-L138 CarbonylContact C-O 3.59Å; G124-L138 WeakPolarHBondContact CA-O 3.43Å; Y125-L138 HydrophobicContact CD2-CD2 4.42Å; Y125-L138 HydrophobicContact CD2-CG 4.44Å; Y125-L138 PolarHBondContact N-O 2.78Å; Y125-L138 PolarHBondContact O-N 3.36Å; V127-L138 HydrophobicContact CG2-CB 3.88Å; V127-L138 HydrophobicContact CG2-CD2 4.32Å; L138-Q142 HydrophobicContact CD1-CB 4.06Å; L138-V143 HydrophobicContact CD1-CG2 3.83Å; L138-V143 HydrophobicContact CD2-CG2 3.62Å; L138-V143 HydrophobicContact CG-CG2 3.56Å; L138-L147 HydrophobicContact CD2-CD1 3.8Å; L138-I153 HydrophobicContact CD2-CD1 3.51Å; L138-V174 HydrophobicContact CB-CG2 3.89Å; L138-V174 HydrophobicContact CD1-CG2 4.24Å; L138-V174 WeakPolarHBondContact CD1-O 3.26Å; L138-T176 HydrophobicContact CD1-CG2 3.94Å; L138-T176 HydrophobicContact CD2-CG2 3.61Å; L138-T176 HydrophobicContact CG-CG2 4.44Å |
| 139 | P | 88.8 | Confident | 83.6 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 12% | 0.117 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 144.6 | 178.4 | -21.8 | 34.2 | 0 | 0 | 0 | 112.3 | F137 D141 Q142 V174 | F137-P139 HydrophobicContact CD1-CG 4.09Å; F137-P139 HydrophobicContact CE1-CB 4.27Å; F137-P139 HydrophobicContact CE1-CG 3.96Å; P139-D141 WeakPolarHBondContact CB-OD1 3.32Å; P139-D141 PolarHBondContact O-N 3.49Å; P139-Q142 HydrophobicContact CB-CB 4.5Å; P139-Q142 HydrophobicContact CB-CG 4.07Å; P139-Q142 HydrophobicContact CG-CG 4.17Å; P139-Q142 WeakPolarHBondContact O-CB 3.49Å; P139-Q142 PolarHBondContact O-N 2.99Å; P139-V174 WeakPolarHBondContact CD-O 3.42Å |
| 140 | K | 87.3 | Confident | 83.4 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -62.1 | -28.4 | -179.6 | -85.1 | 171.3 | -172.3 | 171.2 | 0 | 113.3 | E121 D122 H123 Y125 Q142 | E121-K140 WeakPolarHBondContact O-CE 3.41Å; E121-K140 PolarHBondContact O-NZ 2.9Å; D122-K140 PolarHBondContact O-NZ 2.87Å; H123-K140 PolarHBondContact O-N 2.84Å; Y125-K140 HydrophobicContact CD2-CG 4.47Å; Y125-K140 HydrophobicContact CE2-CG 3.89Å; K140-Q142 PolarHBondContact O-N 2.81Å |
| 141 | D | 85.6 | Confident | 83.4 | Confident | 99 Ų | 99 | 60.3 Ų | 60.3 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -69.1 | -12.6 | 174 | 63.3 | -73.8 | 0 | 0 | 0 | 113.8 | P139 R177 | P139-D141 WeakPolarHBondContact CB-OD1 3.32Å; P139-D141 PolarHBondContact O-N 3.49Å; D141-R177 PolarHBondContact O-NH1 2.93Å; D141-R177 PolarHBondContact O-NH2 3.45Å; D141-R177 VanDerWaalsContact O-NH2 3.13Å |
| 142 | Q | 80.4 | Confident | 83.6 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -102.7 | 15.2 | -177.9 | -62.5 | -60 | -49.1 | 0 | 0 | 113.8 | L138 P139 K140 T175 T176 | L138-Q142 HydrophobicContact CD1-CB 4.06Å; P139-Q142 HydrophobicContact CB-CB 4.5Å; P139-Q142 HydrophobicContact CB-CG 4.07Å; P139-Q142 HydrophobicContact CG-CG 4.17Å; P139-Q142 WeakPolarHBondContact O-CB 3.49Å; P139-Q142 PolarHBondContact O-N 2.99Å; K140-Q142 PolarHBondContact O-N 2.81Å; Q142-T175 VanDerWaalsContact OE1-CB 3.29Å; Q142-T175 PolarHBondContact OE1-OG1 3.22Å; Q142-T176 PolarHBondContact O-N 3.48Å; Q142-T176 PolarHBondContact O-OG1 2.95Å |
| 143 | V | 79.6 | Confident | 83.9 | Confident | 18 Ų | 18 | 57.9 Ų | 57.9 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | trans | -134.8 | 142.5 | 179.2 | -156.7 | 0 | 0 | 0 | 0 | 109.7 | Y125 L138 V145 L147 | Y125-V143 HydrophobicContact CD2-CG2 4.31Å; Y125-V143 HydrophobicContact CE2-CG2 4.14Å; L138-V143 HydrophobicContact CD1-CG2 3.83Å; L138-V143 HydrophobicContact CD2-CG2 3.62Å; L138-V143 HydrophobicContact CG-CG2 3.56Å; V143-V145 WeakPolarHBondContact CG1-O 3.47Å; V143-L147 HydrophobicContact CG1-CD1 3.81Å; V143-L147 HydrophobicContact CG1-CD2 4.16Å; V143-L147 HydrophobicContact CG1-CG 3.95Å; V143-L147 HydrophobicContact CG2-CD1 4.36Å | ||
| 144 | D | 76.4 | Confident | 84.4 | Confident | 116 Ų | 116 | 48.8 Ų | 48.8 | 62% | 0.62 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -102 | -1.4 | -177.6 | -54.1 | -42.1 | 0 | 0 | 0 | 113.4 | R177 | D144-R177 IonicContact OD1-CZ 2.71Å; D144-R177 IonicContact OD1-NE 2.6Å; D144-R177 PolarHBondContact OD1-NE 3.01Å; D144-R177 IonicContact OD1-NH2 2.86Å; D144-R177 PolarHBondContact OD1-NH2 2.7Å; D144-R177 IonicContact OD2-NE 3.21Å |
| 145 | V | 77.4 | Confident | 84.6 | Confident | 108 Ų | 108 | 48.2 Ų | 48.2 | 66% | 0.655 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -146 | 148.4 | -179 | -164.9 | 0 | 0 | 0 | 0 | 108.7 | V143 | V143-V145 WeakPolarHBondContact CG1-O 3.47Š|
| 146 | N | 79.8 | Confident | 84.6 | Confident | 140 Ų | 140 | 44.2 Ų | 44.2 | 75% | 0.749 | 24% | 0.238 | S | C | * | . | trans | -64 | 149.3 | 168.2 | -72.2 | -6.2 | 0 | 0 | 0 | 110.8 | ||||
| 147 | L | 83.2 | Confident | 84.3 | Confident | 27 Ų | 27 | 44.5 Ų | 44.5 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | trans | -124.1 | 126.3 | -173.7 | -56.8 | 174.5 | 0 | 0 | 0 | 111.3 | V117 Y125 L138 V143 I153 | V117-L147 HydrophobicContact CG2-CB 4.05Å; V117-L147 HydrophobicContact CG2-CD1 4.29Å; Y125-L147 HydrophobicContact CD1-CB 4.22Å; Y125-L147 HydrophobicContact CD2-CD1 4.17Å; Y125-L147 HydrophobicContact CE1-CB 3.88Å; Y125-L147 HydrophobicContact CE2-CD1 4.22Å; Y125-L147 HydrophobicContact CE2-CG 4.45Å; Y125-L147 HydrophobicContact CG-CD1 4.4Å; Y125-L147 PolarHBondContact OH-N 3.17Å; L138-L147 HydrophobicContact CD2-CD1 3.8Å; V143-L147 HydrophobicContact CG1-CD1 3.81Å; V143-L147 HydrophobicContact CG1-CD2 4.16Å; V143-L147 HydrophobicContact CG1-CG 3.95Å; V143-L147 HydrophobicContact CG2-CD1 4.36Å; L147-I153 HydrophobicContact CD1-CD1 3.89Å; L147-I153 HydrophobicContact CD1-CG2 4.05Å; L147-I153 HydrophobicContact CD2-CG2 3.89Å | ||
| 148 | D | 84.6 | Confident | 83.5 | Confident | 79 Ų | 79 | 44.9 Ų | 44.9 | 42% | 0.422 | 24% | 0.242 | S | C | . | . | trans | -80.2 | 155.5 | -178.2 | -41.1 | -58.8 | 0 | 0 | 0 | 111.8 | V58 S151 | V58-D148 HydrophobicContact CG2-CB 3.72Å; D148-S151 WeakPolarHBondContact O-CB 3.44Å; D148-S151 PolarHBondContact O-N 3.38Å; D148-S151 PolarHBondContact O-OG 3.09Å | ||
| 149 | I | 86.5 | Confident | 82.2 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 138.4 | -179.7 | -60.6 | 179.2 | 0 | 0 | 0 | 110.3 | K39 L43 V120 S151 | K39-I149 HydrophobicContact CD-CG2 4.42Å; K39-I149 HydrophobicContact CG-CG2 3.66Å; L43-I149 HydrophobicContact CD1-CB 4.39Å; L43-I149 HydrophobicContact CD1-CG2 3.95Å; V120-I149 HydrophobicContact CG2-CG1 4.23Å; I149-S151 PolarHBondContact O-N 3.33Å |
| 150 | G | 83.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -6.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S37 S116 V117 | S37-G150 PolarHBondContact OG-O 2.85Å; S116-G150 PolarHBondContact OG-O 2.95Å; V117-G150 WeakPolarHBondContact O-CA 3.44Å; V117-G150 PolarHBondContact O-N 3.43Å |
| 151 | S | 87.4 | Confident | 79.1 | Confident | 13 Ų | 13 | 50 Ų | 50 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | trans | -64 | 147.1 | 177 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | S116 V117 D148 I149 | S116-S151 WeakPolarHBondContact CA-O 3.06Å; V117-S151 WeakPolarHBondContact CG2-OG 3.47Å; V117-S151 PolarHBondContact N-O 3.34Å; D148-S151 WeakPolarHBondContact O-CB 3.44Å; D148-S151 PolarHBondContact O-N 3.38Å; D148-S151 PolarHBondContact O-OG 3.09Å; I149-S151 PolarHBondContact O-N 3.33Å | ||
| 152 | L | 88.8 | Confident | 77.4 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 118.8 | -179.4 | -67.6 | -175.3 | 0 | 0 | 0 | 111.5 | V36 F64 L93 P95 V114 G115 | V36-L152 HydrophobicContact CG1-CD1 3.99Å; V36-L152 HydrophobicContact CG1-CG 4.11Å; F64-L152 HydrophobicContact CZ-CD1 4.17Å; L93-L152 HydrophobicContact CB-CD1 3.59Å; L93-L152 HydrophobicContact CD1-CD1 4.37Å; P95-L152 HydrophobicContact CG-CD2 3.88Å; V114-L152 HydrophobicContact CG1-CB 4.28Å; G115-L152 WeakPolarHBondContact O-CA 3.43Å |
| 153 | I | 87.6 | Confident | 76.1 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.4 | -175.9 | 61.4 | 176.7 | 0 | 0 | 0 | 112.6 | V114 G115 V117 V127 L138 L147 T176 | V114-I153 WeakPolarHBondContact CA-O 3.46Å; G115-I153 PolarHBondContact N-O 2.97Å; G115-I153 PolarHBondContact O-N 3.12Å; V117-I153 HydrophobicContact CG2-CD1 4.04Å; V117-I153 HydrophobicContact CG2-CG2 4.47Å; V127-I153 HydrophobicContact CG1-CD1 4.11Å; V127-I153 HydrophobicContact CG1-CG1 4.25Å; V127-I153 HydrophobicContact CG2-CD1 3.83Å; L138-I153 HydrophobicContact CD2-CD1 3.51Å; L147-I153 HydrophobicContact CD1-CD1 3.89Å; L147-I153 HydrophobicContact CD1-CG2 4.05Å; L147-I153 HydrophobicContact CD2-CG2 3.89Å; I153-T176 HydrophobicContact CD1-CG2 4.38Å |
| 154 | P | 85.8 | Confident | 74.1 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 38% | 0.377 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 134.4 | 169.7 | 35.2 | -32.6 | 0 | 0 | 0 | 110.8 | V112 F113 V114 L178 | V112-P154 HydrophobicContact CG1-CB 4.27Å; F113-P154 CarbonylContact O-C 3.5Å; F113-P154 VanDerWaalsContact O-CA 3.26Å; F113-P154 WeakPolarHBondContact O-CA 3.36Å; V114-P154 HydrophobicContact CG2-CB 4.44Å; P154-L178 HydrophobicContact CB-CD1 3.96Å; P154-L178 HydrophobicContact CG-CD1 4.12Å |
| 155 | F | 85.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 163.1 | -177.6 | 70.2 | -94.3 | 0 | 0 | 0 | 112.4 | V112 F113 V127 P129 V174 T175 T176 | V112-F155 CarbonylContact C-O 3.53Å; V112-F155 WeakPolarHBondContact CA-O 3.46Å; F113-F155 HydrophobicContact CB-CD2 4.47Å; F113-F155 HydrophobicContact CB-CE1 3.88Å; F113-F155 HydrophobicContact CB-CE2 3.83Å; F113-F155 HydrophobicContact CB-CZ 3.47Å; F113-F155 VanDerWaalsContact CB-CZ 3.47Å; F113-F155 HydrophobicContact CD2-CE2 4.14Å; F113-F155 HydrophobicContact CG-CE2 4.38Å; F113-F155 HydrophobicContact CG-CZ 4.31Å; F113-F155 PolarHBondContact N-O 3.11Å; F113-F155 PolarHBondContact O-N 3.31Å; V127-F155 HydrophobicContact CG1-CD1 4.32Å; V127-F155 HydrophobicContact CG1-CE1 4.23Å; P129-F155 HydrophobicContact CB-CE1 4.4Å; P129-F155 HydrophobicContact CB-CZ 3.86Å; F155-V174 HydrophobicContact CB-CB 4.33Å; F155-V174 HydrophobicContact CB-CG2 4.44Å; F155-V174 HydrophobicContact CD2-CB 3.64Å; F155-V174 HydrophobicContact CD2-CG1 3.49Å; F155-V174 VanDerWaalsContact CD2-CG1 3.49Å; F155-V174 HydrophobicContact CD2-CG2 4.13Å; F155-V174 HydrophobicContact CE2-CB 4.34Å; F155-V174 HydrophobicContact CE2-CG1 3.7Å; F155-V174 HydrophobicContact CG-CB 4.22Å; F155-V174 HydrophobicContact CG-CG1 4.45Å; F155-V174 HydrophobicContact CG-CG2 4.33Å; F155-T175 WeakPolarHBondContact CA-O 3.01Å; F155-T176 HydrophobicContact CB-CG2 4.44Å |
| 156 | T | 82.2 | Confident | 70.2 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 8% | 0.08 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.7 | 169.4 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | H110 V174 T175 L178 | H110-T156 WeakPolarHBondContact CA-OG1 3.45Å; H110-T156 PolarHBondContact N-OG1 3.34Å; H110-T156 VanDerWaalsContact N-OG1 3.13Å; T156-V174 VanDerWaalsContact O-CA 3.3Å; T156-V174 WeakPolarHBondContact O-CA 3.45Å; T156-V174 WeakPolarHBondContact O-CB 3.47Å; T156-T175 HydrophobicContact CG2-CG2 3.68Å; T156-T175 PolarHBondContact N-O 3.03Å; T156-T175 PolarHBondContact O-N 3.05Å; T156-L178 HydrophobicContact CG2-CD2 3.95Å |
| 157 | P | 80.1 | Confident | 68.4 | Low | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.032 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 142.1 | 164 | -22.3 | 33.3 | 0 | 0 | 0 | 111.4 | V107 M111 F113 L172 | V107-P157 HydrophobicContact CG1-CG 3.7Å; M111-P157 WeakPolarHBondContact O-CD 3.26Å; F113-P157 HydrophobicContact CE2-CG 4.41Å; P157-L172 HydrophobicContact CB-CD2 4.33Å; P157-L172 HydrophobicContact CG-CD2 4.31Å |
| 158 | H | 73.7 | Confident | 66.6 | Low | 62 Ų | 62 | 62.3 Ų | 62.3 | 29% | 0.287 | 38% | 0.383 | S | S | . | . | trans | -76.5 | 137.1 | 179.4 | -165.9 | -95.9 | 0 | 0 | 0 | 111.6 | S160 D161 K173 | H158-S160 VanDerWaalsContact C-N 3.26Å; H158-S160 PolarHBondContact CE1-OG 3.04Å; H158-S160 VanDerWaalsContact CE1-OG 3.25Å; H158-S160 PolarHBondContact ND1-OG 2.91Å; H158-S160 PolarHBondContact O-N 2.84Å; H158-D161 PolarHBondContact O-N 3.27Å; H158-K173 HydrophobicContact CB-CB 4.3Å; H158-K173 PolarHBondContact N-O 2.87Å | ||
| 159 | V | 61.6 | Low | 65 | Low | 94 Ų | 94 | 66 Ų | 66 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24.7 | -167.8 | -177.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 160 | S | 57.3 | Low | 64 | Low | 88 Ų | 88 | 76 Ų | 76 | 62% | 0.615 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -3.5 | -174.8 | 63.5 | 0 | 0 | 0 | 0 | 116.2 | H158 P162 | H158-S160 VanDerWaalsContact C-N 3.26Å; H158-S160 PolarHBondContact CE1-OG 3.04Å; H158-S160 VanDerWaalsContact CE1-OG 3.25Å; H158-S160 PolarHBondContact ND1-OG 2.91Å; H158-S160 PolarHBondContact O-N 2.84Å; S160-P162 WeakPolarHBondContact O-CD 3.35Å |
| 161 | D | 53.6 | Low | 63.6 | Low | 29 Ų | 29 | 79.8 Ų | 79.8 | 16% | 0.155 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -98.1 | 107.9 | 173.9 | -102.3 | -48.6 | 0 | 0 | 0 | 110.1 | H158 L163 K169 | H158-D161 PolarHBondContact O-N 3.27Å; D161-L163 PolarHBondContact O-N 2.89Å; D161-K169 IonicContact OD1-NZ 2.66Å; D161-K169 PolarHBondContact OD1-NZ 2.96Å |
| 162 | P | 50.8 | Low | 63.3 | Low | 108 Ų | 108 | 80.2 Ų | 80.2 | 70% | 0.701 | 46% | 0.455 | S | S | * | . | trans | -69.7 | 117.5 | -179.9 | 27.7 | -33.4 | 0 | 0 | 0 | 110.3 | S160 V164 | S160-P162 WeakPolarHBondContact O-CD 3.35Å; P162-V164 PolarHBondContact O-N 2.88Å | ||
| 163 | L | 52.3 | Low | 63.1 | Low | 76 Ų | 76 | 84 Ų | 84 | 40% | 0.398 | 47% | 0.47 | S | S | . | . | trans | -74.9 | 24.4 | -173.2 | -142.7 | 81.5 | 0 | 0 | 0 | 114.6 | V107 D161 L172 | V107-L163 HydrophobicContact CB-CD2 3.96Å; V107-L163 HydrophobicContact CG1-CD2 4.22Å; V107-L163 WeakPolarHBondContact O-CD2 3.43Å; D161-L163 PolarHBondContact O-N 2.89Å; L163-L172 HydrophobicContact CD1-CD1 3.72Å | ||
| 164 | V | 38.6 | Very low | 63 | Low | 104 Ų | 104 | 83.5 Ų | 83.5 | 63% | 0.63 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -135.9 | 124.5 | -166.9 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | P162 | P162-V164 PolarHBondContact O-N 2.88Š|
| 165 | N | 34.9 | Very low | 62.9 | Low | 152 Ų | 152 | 81.3 Ų | 81.3 | 81% | 0.813 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 57 | 69.6 | 163.9 | -59.8 | -8.1 | 0 | 0 | 0 | 117.9 | ||
| 166 | S | 35.9 | Very low | 62.7 | Low | 113 Ų | 113 | 82.7 Ų | 82.7 | 79% | 0.79 | 46% | 0.462 | S | S | * | . | trans | -157.3 | 133.3 | 148.7 | -86.8 | 0 | 0 | 0 | 0 | 112.2 | S168 | S166-S168 PolarHBondContact O-N 2.97Å; S166-S168 VanDerWaalsContact O-N 3.14Å | ||
| 167 | S | 42.8 | Very low | 62.3 | Low | 138 Ų | 138 | 87.6 Ų | 87.6 | 97% | 0.965 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 11.4 | -174 | 44 | 0 | 0 | 0 | 0 | 115.2 | ||
| 168 | S | 44.6 | Very low | 61.6 | Low | 108 Ų | 108 | 90.2 Ų | 90.2 | 76% | 0.755 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 1.9 | -161 | -163 | 0 | 0 | 0 | 0 | 116.9 | S166 | S166-S168 PolarHBondContact O-N 2.97Å; S166-S168 VanDerWaalsContact O-N 3.14Å |
| 169 | K | 52.2 | Low | 61 | Low | 155 Ų | 155 | 92.1 Ų | 92.1 | 67% | 0.674 | 50% | 0.504 | S | S | * | . | trans | -110.7 | 113.7 | 171.7 | -79.3 | -178.4 | 173.7 | 173.4 | 0 | 110.3 | D161 | D161-K169 IonicContact OD1-NZ 2.66Å; D161-K169 PolarHBondContact OD1-NZ 2.96Å | ||
| 170 | R | 64.7 | Low | 60.5 | Low | 240 Ų | 240 | 91 Ų | 91 | 91% | 0.906 | 50% | 0.501 | S | S | * | . | trans | -89.6 | -6.5 | -179.7 | -81.5 | -176.7 | -87 | 175 | -5.9 | 114.6 | ||||
| 171 | V | 76.4 | Confident | 60.2 | Low | 78 Ų | 78 | 92 Ų | 92 | 47% | 0.473 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -137.7 | 138.3 | -173.9 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | N135 F137 | N135-V171 HydrophobicContact CB-CG2 4.49Å; N135-V171 WeakPolarHBondContact O-CA 3.48Å; F137-V171 HydrophobicContact CB-CG1 3.66Å |
| 172 | L | 80 | Confident | 60.1 | Low | 23 Ų | 23 | 94.8 Ų | 94.8 | 12% | 0.12 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 131.7 | 178.9 | 179.2 | 63.4 | 0 | 0 | 0 | 110.5 | M134 N135 C136 F137 P157 L163 V174 | M134-L172 HydrophobicContact CG-CD2 4.34Å; M134-L172 HydrophobicContact SD-CD2 4.06Å; N135-L172 PolarHBondContact O-N 2.78Å; C136-L172 CarbonylContact C-O 3.57Å; C136-L172 WeakPolarHBondContact CA-O 3.15Å; F137-L172 PolarHBondContact N-O 2.77Å; P157-L172 HydrophobicContact CB-CD2 4.33Å; P157-L172 HydrophobicContact CG-CD2 4.31Å; L163-L172 HydrophobicContact CD1-CD1 3.72Å; L172-V174 HydrophobicContact CD2-CG1 4.39Å; L172-V174 HydrophobicContact CG-CG1 4.27Å |
| 173 | K | 84.5 | Confident | 60.4 | Low | 108 Ų | 108 | 91.2 Ų | 91.2 | 47% | 0.47 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 133.4 | 171.3 | -71.1 | -169.8 | 174.8 | -168.9 | 0 | 111.2 | H158 | H158-K173 HydrophobicContact CB-CB 4.3Å; H158-K173 PolarHBondContact N-O 2.87Å |
| 174 | V | 86.5 | Confident | 61.2 | Low | 1 Ų | 1 | 89 Ų | 89 | 1% | 0.006 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 162 | -178.7 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | C136 F137 L138 P139 F155 T156 L172 | C136-V174 HydrophobicContact CB-CG1 3.87Å; C136-V174 HydrophobicContact CB-CG2 4.03Å; F137-V174 WeakPolarHBondContact O-CG2 3.27Å; F137-V174 PolarHBondContact O-N 2.88Å; L138-V174 HydrophobicContact CB-CG2 3.89Å; L138-V174 HydrophobicContact CD1-CG2 4.24Å; L138-V174 WeakPolarHBondContact CD1-O 3.26Å; P139-V174 WeakPolarHBondContact CD-O 3.42Å; F155-V174 HydrophobicContact CB-CB 4.33Å; F155-V174 HydrophobicContact CB-CG2 4.44Å; F155-V174 HydrophobicContact CD2-CB 3.64Å; F155-V174 HydrophobicContact CD2-CG1 3.49Å; F155-V174 VanDerWaalsContact CD2-CG1 3.49Å; F155-V174 HydrophobicContact CD2-CG2 4.13Å; F155-V174 HydrophobicContact CE2-CB 4.34Å; F155-V174 HydrophobicContact CE2-CG1 3.7Å; F155-V174 HydrophobicContact CG-CB 4.22Å; F155-V174 HydrophobicContact CG-CG1 4.45Å; F155-V174 HydrophobicContact CG-CG2 4.33Å; T156-V174 VanDerWaalsContact O-CA 3.3Å; T156-V174 WeakPolarHBondContact O-CA 3.45Å; T156-V174 WeakPolarHBondContact O-CB 3.47Å; L172-V174 HydrophobicContact CD2-CG1 4.39Å; L172-V174 HydrophobicContact CG-CG1 4.27Å |
| 175 | T | 83.9 | Confident | 62.9 | Low | 12 Ų | 12 | 85.1 Ų | 85.1 | 7% | 0.074 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.3 | 174.7 | 179 | 0 | 0 | 0 | 0 | 111.1 | Q142 F155 T156 R177 | Q142-T175 VanDerWaalsContact OE1-CB 3.29Å; Q142-T175 PolarHBondContact OE1-OG1 3.22Å; F155-T175 WeakPolarHBondContact CA-O 3.01Å; T156-T175 HydrophobicContact CG2-CG2 3.68Å; T156-T175 PolarHBondContact N-O 3.03Å; T156-T175 PolarHBondContact O-N 3.05Å; T175-R177 PolarHBondContact OG1-N 3.19Å |
| 176 | T | 79.4 | Confident | 64.6 | Low | 29 Ų | 29 | 80.2 Ų | 80.2 | 18% | 0.178 | 44% | 0.438 | C | S | . | . | trans | -96.4 | -6.4 | 173.5 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | L138 Q142 I153 F155 L178 | L138-T176 HydrophobicContact CD1-CG2 3.94Å; L138-T176 HydrophobicContact CD2-CG2 3.61Å; L138-T176 HydrophobicContact CG-CG2 4.44Å; Q142-T176 PolarHBondContact O-N 3.48Å; Q142-T176 PolarHBondContact O-OG1 2.95Å; I153-T176 HydrophobicContact CD1-CG2 4.38Å; F155-T176 HydrophobicContact CB-CG2 4.44Å; T176-L178 VanDerWaalsContact C-N 3.28Å; T176-L178 PolarHBondContact O-N 3.23Å | ||
| 177 | R | 74.1 | Confident | 66 | Low | 116 Ų | 116 | 77.2 Ų | 77.2 | 44% | 0.438 | 42% | 0.416 | S | S | . | . | trans | -74.2 | 83 | 174.7 | -69.3 | -163.6 | 179.6 | 118.1 | 12.7 | 110.7 | D141 D144 T175 D179 | D141-R177 PolarHBondContact O-NH1 2.93Å; D141-R177 PolarHBondContact O-NH2 3.45Å; D141-R177 VanDerWaalsContact O-NH2 3.13Å; D144-R177 IonicContact OD1-CZ 2.71Å; D144-R177 IonicContact OD1-NE 2.6Å; D144-R177 PolarHBondContact OD1-NE 3.01Å; D144-R177 IonicContact OD1-NH2 2.86Å; D144-R177 PolarHBondContact OD1-NH2 2.7Å; D144-R177 IonicContact OD2-NE 3.21Å; T175-R177 PolarHBondContact OG1-N 3.19Å; R177-D179 PolarHBondContact O-N 3.16Å; R177-D179 VanDerWaalsContact O-N 3.12Å | ||
| 178 | L | 66.7 | Low | 67 | Low | 60 Ų | 60 | 77.4 Ų | 77.4 | 31% | 0.314 | 41% | 0.406 | S | S | . | . | trans | -79.7 | 88.2 | -179.3 | -70.4 | 169.4 | 0 | 0 | 0 | 110.6 | V112 P154 T156 T176 S180 | V112-L178 HydrophobicContact CB-CD2 4.4Å; V112-L178 HydrophobicContact CG1-CD1 3.98Å; V112-L178 HydrophobicContact CG1-CD2 3.99Å; V112-L178 HydrophobicContact CG2-CD2 3.66Å; P154-L178 HydrophobicContact CB-CD1 3.96Å; P154-L178 HydrophobicContact CG-CD1 4.12Å; T156-L178 HydrophobicContact CG2-CD2 3.95Å; T176-L178 VanDerWaalsContact C-N 3.28Å; T176-L178 PolarHBondContact O-N 3.23Å; L178-S180 PolarHBondContact O-N 3.26Å | ||
| 179 | D | 59.6 | Low | 68.2 | Low | 102 Ų | 102 | 74 Ų | 74 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | trans | -56.5 | 128.5 | 175.8 | -109.1 | -29.9 | 0 | 0 | 0 | 111.6 | R177 T181 L182 S183 | R177-D179 PolarHBondContact O-N 3.16Å; R177-D179 VanDerWaalsContact O-N 3.12Å; D179-T181 PolarHBondContact O-N 3.21Å; D179-T181 VanDerWaalsContact O-N 3.08Å; D179-L182 HydrophobicContact CB-CB 3.92Å; D179-L182 HydrophobicContact CB-CD1 3.79Å; D179-L182 HydrophobicContact CB-CG 3.83Å; D179-L182 PolarHBondContact O-N 2.77Å; D179-L182 VanDerWaalsContact O-N 3.17Å; D179-S183 PolarHBondContact O-N 3.07Å; D179-S183 PolarHBondContact O-OG 3.04Å; D179-S183 VanDerWaalsContact O-OG 3.1Å | ||
| 180 | S | 52.4 | Low | 69 | Low | 71 Ų | 71 | 76.5 Ų | 76.5 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.7 | -171.7 | -85.3 | 0 | 0 | 0 | 0 | 114.6 | L178 P268 | L178-S180 PolarHBondContact O-N 3.26Å; S180-P268 WeakPolarHBondContact OG-CG 3.48Å |
| 181 | T | 50.2 | Low | 69.5 | Low | 110 Ų | 110 | 65.4 Ų | 65.4 | 68% | 0.675 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -23.9 | 179.7 | 50 | 0 | 0 | 0 | 0 | 113.3 | D179 | D179-T181 PolarHBondContact O-N 3.21Å; D179-T181 VanDerWaalsContact O-N 3.08Å |
| 182 | L | 51.7 | Low | 69.8 | Low | 87 Ų | 87 | 64.2 Ų | 64.2 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -25 | -174.3 | -66.3 | -176.6 | 0 | 0 | 0 | 113.2 | H110 D179 V184 | H110-L182 WeakPolarHBondContact CB-O 3.42Å; D179-L182 HydrophobicContact CB-CB 3.92Å; D179-L182 HydrophobicContact CB-CD1 3.79Å; D179-L182 HydrophobicContact CB-CG 3.83Å; D179-L182 PolarHBondContact O-N 2.77Å; D179-L182 VanDerWaalsContact O-N 3.17Å; L182-V184 PolarHBondContact O-N 3Å |
| 183 | S | 58 | Low | 70.1 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -76.4 | 22.5 | -177.9 | 47.1 | 0 | 0 | 0 | 0 | 114.9 | D179 | D179-S183 PolarHBondContact O-N 3.07Å; D179-S183 PolarHBondContact O-OG 3.04Å; D179-S183 VanDerWaalsContact O-OG 3.1Å |
| 184 | V | 67.5 | Low | 70 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.7 | -169.8 | -171.3 | 0 | 0 | 0 | 0 | 110.4 | L182 S186 F244 | L182-V184 PolarHBondContact O-N 3Å; V184-S186 PolarHBondContact O-N 2.91Å; V184-F244 HydrophobicContact CB-CZ 4.16Å; V184-F244 HydrophobicContact CG1-CE1 4.14Å; V184-F244 HydrophobicContact CG1-CE2 3.66Å; V184-F244 HydrophobicContact CG1-CZ 3.44Å; V184-F244 VanDerWaalsContact CG1-CZ 3.44Å; V184-F244 HydrophobicContact CG2-CE1 4.36Å; V184-F244 HydrophobicContact CG2-CE2 4.32Å; V184-F244 HydrophobicContact CG2-CZ 3.56Å |
| 185 | L | 74.8 | Confident | 69.7 | Low | 22 Ų | 22 | 60.6 Ų | 60.6 | 12% | 0.115 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 121.1 | 176.5 | -60 | 179.1 | 0 | 0 | 0 | 111.3 | V191 T200 C201 L202 H203 F218 | L185-V191 HydrophobicContact CD1-CG2 4.07Å; L185-V191 HydrophobicContact CD2-CG2 4Å; L185-T200 HydrophobicContact CD1-CG2 3.71Å; L185-T200 HydrophobicContact CG-CG2 4.08Å; L185-C201 PolarHBondContact N-O 3.05Å; L185-L202 HydrophobicContact CB-CB 3.96Å; L185-H203 PolarHBondContact O-N 2.8Å; L185-H203 VanDerWaalsContact O-N 3.08Å; L185-F218 HydrophobicContact CB-CE2 3.88Å; L185-F218 HydrophobicContact CB-CZ 3.68Å; L185-F218 HydrophobicContact CD1-CE1 4.27Å; L185-F218 HydrophobicContact CD1-CZ 3.96Å; L185-F218 HydrophobicContact CG-CZ 4.47Å |
| 186 | S | 70.8 | Confident | 69.7 | Low | 50 Ų | 50 | 60.1 Ų | 60.1 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | trans | -69.5 | 154.2 | 171.4 | 68.9 | 0 | 0 | 0 | 0 | 111.2 | V184 D188 S189 F218 | V184-S186 PolarHBondContact O-N 2.91Å; S186-D188 PolarHBondContact O-N 3.33Å; S186-D188 VanDerWaalsContact O-N 3.1Å; S186-S189 WeakPolarHBondContact O-CB 3.13Å; S186-S189 PolarHBondContact O-N 3.48Å; S186-S189 PolarHBondContact O-OG 2.97Å; S186-S189 PolarHBondContact OG-OG 3.25Å; S186-F218 WeakPolarHBondContact O-CE2 3.48Å | ||
| 187 | P | 65.4 | Low | 70.1 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -32.5 | -174.9 | -25.5 | 35.4 | 0 | 0 | 0 | 114.3 | S189 H203 | P187-S189 VanDerWaalsContact C-N 3.34Å; P187-H203 HydrophobicContact CG-CB 3.82Å |
| 188 | D | 64.4 | Low | 70.8 | Confident | 141 Ų | 141 | 53.4 Ų | 53.4 | 75% | 0.754 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -3.9 | -176.6 | -44 | -71.6 | 0 | 0 | 0 | 113 | S186 R190 | S186-D188 PolarHBondContact O-N 3.33Å; S186-D188 VanDerWaalsContact O-N 3.1Å; D188-R190 PolarHBondContact O-N 2.86Å |
| 189 | S | 68.6 | Low | 71.6 | Confident | 36 Ų | 36 | 51.4 Ų | 51.4 | 25% | 0.252 | 29% | 0.286 | S | S | . | . | trans | -69.6 | 92 | 179.4 | -73 | 0 | 0 | 0 | 0 | 111.5 | S186 P187 V191 | S186-S189 WeakPolarHBondContact O-CB 3.13Å; S186-S189 PolarHBondContact O-N 3.48Å; S186-S189 PolarHBondContact O-OG 2.97Å; S186-S189 PolarHBondContact OG-OG 3.25Å; P187-S189 VanDerWaalsContact C-N 3.34Å; S189-V191 PolarHBondContact O-N 2.85Å | ||
| 190 | R | 69.6 | Low | 72.7 | Confident | 208 Ų | 208 | 47.4 Ų | 47.4 | 79% | 0.785 | 27% | 0.265 | S | S | * | . | trans | -57.5 | 104.5 | 169.1 | -65.5 | -173.3 | -175.1 | -176.7 | 1.5 | 110.2 | K108 D188 | K108-R190 PolarHBondContact NZ-O 2.87Å; D188-R190 PolarHBondContact O-N 2.86Å | ||
| 191 | V | 75 | Confident | 74.2 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | trans | -123.1 | 127.5 | 178 | 168.4 | 0 | 0 | 0 | 0 | 107.7 | M111 L185 S189 C195 M196 | M111-V191 HydrophobicContact CE-CB 4.22Å; M111-V191 HydrophobicContact CE-CG1 3.63Å; M111-V191 HydrophobicContact CE-CG2 3.7Å; L185-V191 HydrophobicContact CD1-CG2 4.07Å; L185-V191 HydrophobicContact CD2-CG2 4Å; S189-V191 PolarHBondContact O-N 2.85Å; V191-C195 HydrophobicContact CG1-CB 4.19Å; V191-M196 HydrophobicContact CG1-CG 3.8Å | ||
| 192 | N | 82.4 | Confident | 75.9 | Confident | 53 Ų | 53 | 39.2 Ų | 39.2 | 28% | 0.283 | 21% | 0.212 | S | C | . | . | trans | -67 | 137.8 | 172.8 | -179.6 | 8.8 | 0 | 0 | 0 | 109.3 | N106 D194 C195 | N106-N192 PolarHBondContact ND2-ND2 3.37Å; N192-D194 PolarHBondContact ND2-OD2 2.93Å; N192-D194 PolarHBondContact O-N 2.96Å; N192-D194 PolarHBondContact OD1-N 2.92Å; N192-C195 PolarHBondContact O-N 3.2Å | ||
| 193 | F | 85.7 | Confident | 77.6 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -40.6 | -42.6 | 173.3 | -175.6 | -87.4 | 0 | 0 | 0 | 113.7 | C195 M196 Y221 V250 K255 L257 | F193-C195 PolarHBondContact O-N 3.45Å; F193-M196 HydrophobicContact CB-CE 4.48Å; F193-M196 HydrophobicContact CD2-CE 4.09Å; F193-M196 PolarHBondContact O-N 2.74Å; F193-Y221 HydrophobicContact CB-CE1 3.74Å; F193-Y221 AromaticContact CD2-CD1 3.99Å; F193-Y221 HydrophobicContact CD2-CD1 3.99Å; F193-Y221 AromaticContact CD2-CE1 3.77Å; F193-Y221 HydrophobicContact CD2-CE1 3.77Å; F193-Y221 HydrophobicContact CG-CE1 4.22Å; F193-Y221 PolarHBondContact N-OH 2.88Å; F193-V250 HydrophobicContact CE1-CG1 3.99Å; F193-V250 HydrophobicContact CE2-CG1 4.31Å; F193-V250 HydrophobicContact CZ-CG1 3.52Å; F193-K255 HydrophobicContact CD1-CD 4.3Å; F193-K255 HydrophobicContact CD1-CG 4.17Å; F193-K255 HydrophobicContact CD2-CB 4.11Å; F193-K255 HydrophobicContact CD2-CD 4.46Å; F193-K255 HydrophobicContact CD2-CG 4.36Å; F193-K255 HydrophobicContact CE1-CB 4.47Å; F193-K255 HydrophobicContact CE1-CG 4.13Å; F193-K255 HydrophobicContact CE2-CB 3.81Å; F193-K255 HydrophobicContact CE2-CG 4.29Å; F193-K255 WeakPolarHBondContact CE2-O 3.36Å; F193-K255 HydrophobicContact CG-CD 4.18Å; F193-K255 HydrophobicContact CG-CG 4.32Å; F193-K255 HydrophobicContact CZ-CB 4.03Å; F193-K255 HydrophobicContact CZ-CG 4.19Å; F193-L257 HydrophobicContact CE2-CD2 3.86Å; F193-L257 HydrophobicContact CE2-CG 4.26Å; F193-L257 HydrophobicContact CZ-CD2 4.44Å |
| 194 | D | 82.7 | Confident | 79 | Confident | 42 Ų | 42 | 37.3 Ų | 37.3 | 23% | 0.225 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -59.9 | -17.6 | -177.7 | -53.8 | -29.5 | 0 | 0 | 0 | 114.1 | N192 | N192-D194 PolarHBondContact ND2-OD2 2.93Å; N192-D194 PolarHBondContact O-N 2.96Å; N192-D194 PolarHBondContact OD1-N 2.92Å |
| 195 | C | 81.2 | Confident | 80.1 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -104.2 | -1.6 | 177.1 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | N106 M111 V191 N192 F193 L197 | N106-C195 PolarHBondContact O-SG 3.49Å; M111-C195 HydrophobicContact CE-CB 3.77Å; M111-C195 HydrophobicContact SD-CB 3.79Å; V191-C195 HydrophobicContact CG1-CB 4.19Å; N192-C195 PolarHBondContact O-N 3.2Å; F193-C195 PolarHBondContact O-N 3.45Å; C195-L197 PolarHBondContact O-N 2.98Å |
| 196 | M | 84.1 | Confident | 80.9 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | trans | -85.8 | 107.6 | 174.3 | -71.3 | -163.8 | -77.4 | 0 | 0 | 110.1 | V191 F193 F218 Y221 I247 V250 L257 | V191-M196 HydrophobicContact CG1-CG 3.8Å; F193-M196 HydrophobicContact CB-CE 4.48Å; F193-M196 HydrophobicContact CD2-CE 4.09Å; F193-M196 PolarHBondContact O-N 2.74Å; M196-F218 HydrophobicContact SD-CD1 4.3Å; M196-F218 HydrophobicContact SD-CE1 4.21Å; M196-Y221 HydrophobicContact CE-CD1 3.86Å; M196-Y221 HydrophobicContact CE-CD2 3.41Å; M196-Y221 VanDerWaalsContact CE-CD2 3.41Å; M196-Y221 HydrophobicContact CE-CE1 4.07Å; M196-Y221 HydrophobicContact CE-CE2 3.64Å; M196-Y221 HydrophobicContact CE-CG 3.55Å; M196-I247 HydrophobicContact CB-CD1 4.16Å; M196-I247 HydrophobicContact SD-CD1 4.2Å; M196-V250 WeakPolarHBondContact O-CG2 3.28Å; M196-L257 HydrophobicContact CE-CD1 3.81Å; M196-L257 HydrophobicContact SD-CD1 3.99Å | ||
| 197 | L | 87.5 | Confident | 81.8 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | trans | -109.7 | 157.9 | -177.2 | -61.4 | 176.5 | 0 | 0 | 0 | 111.3 | L6 V102 F113 C195 T200 | L6-L197 HydrophobicContact CD1-CD2 3.98Å; V102-L197 HydrophobicContact CG2-CD1 4.41Å; V102-L197 HydrophobicContact CG2-CD2 4.45Å; F113-L197 HydrophobicContact CD1-CD1 3.95Å; F113-L197 HydrophobicContact CE1-CD1 4.22Å; C195-L197 PolarHBondContact O-N 2.98Å; L197-T200 WeakPolarHBondContact O-CB 3.36Å; L197-T200 PolarHBondContact O-N 2.84Å; L197-T200 PolarHBondContact O-OG1 3.24Å | ||
| 198 | P | 88.1 | Confident | 82.9 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 139.8 | 172.2 | -19.2 | 30.2 | 0 | 0 | 0 | 111.9 | L6 A7 L8 R71 I247 V250 | L6-P198 HydrophobicContact CB-CG 3.74Å; A7-P198 VanDerWaalsContact C-CB 3.49Å; L8-P198 HydrophobicContact CB-CB 3.86Å; L8-P198 VanDerWaalsContact N-CB 3.34Å; R71-P198 PolarHBondContact NE-O 2.88Å; P198-I247 CarbonylContact C-O 3.41Å; P198-I247 WeakPolarHBondContact CA-O 3.18Å; P198-V250 HydrophobicContact CG-CG2 4.16Å |
| 199 | G | 83.3 | Confident | 84 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 18% | 0.175 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -5.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I247 I269 | G199-I247 PolarHBondContact N-O 3.24Å; G199-I269 VanDerWaalsContact O-CD1 3.3Å; G199-I269 WeakPolarHBondContact O-CD1 3.37Å |
| 200 | T | 82.9 | Confident | 84.6 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 12% | 0.117 | 19% | 0.19 | C | C | . | . | trans | -72 | 129.9 | 170.3 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | L185 L197 I247 | L185-T200 HydrophobicContact CD1-CG2 3.71Å; L185-T200 HydrophobicContact CG-CG2 4.08Å; L197-T200 WeakPolarHBondContact O-CB 3.36Å; L197-T200 PolarHBondContact O-N 2.84Å; L197-T200 PolarHBondContact O-OG1 3.24Å; T200-I247 PolarHBondContact O-N 3.16Å | ||
| 201 | C | 84.8 | Confident | 85 | Confident | 8 Ų | 8 | 34 Ų | 34 | 5% | 0.054 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 142.9 | 173.6 | -72.4 | 0 | 0 | 0 | 0 | 111.5 | L185 F244 V245 | L185-C201 PolarHBondContact N-O 3.05Å; C201-F244 HydrophobicContact CB-CD1 4.36Å; C201-F244 HydrophobicContact CB-CE1 3.73Å; C201-V245 WeakPolarHBondContact CA-O 3.49Å |
| 202 | L | 85.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 156.5 | -176.7 | 58.3 | 78.1 | 0 | 0 | 0 | 112.9 | L185 A204 F218 V245 I247 | L185-L202 HydrophobicContact CB-CB 3.96Å; L202-A204 HydrophobicContact CD1-CB 3.71Å; L202-F218 HydrophobicContact CB-CD2 3.91Å; L202-F218 HydrophobicContact CB-CE2 3.94Å; L202-F218 HydrophobicContact CB-CG 4.4Å; L202-F218 HydrophobicContact CB-CZ 4.47Å; L202-F218 HydrophobicContact CD1-CB 3.91Å; L202-F218 HydrophobicContact CD1-CD2 3.99Å; L202-F218 HydrophobicContact CD1-CG 3.99Å; L202-F218 HydrophobicContact CD2-CB 4.25Å; L202-F218 HydrophobicContact CD2-CD1 3.88Å; L202-F218 HydrophobicContact CD2-CD2 4.18Å; L202-F218 HydrophobicContact CD2-CE1 4.33Å; L202-F218 HydrophobicContact CD2-CG 3.82Å; L202-F218 HydrophobicContact CG-CD2 4.25Å; L202-F218 HydrophobicContact CG-CG 4.3Å; L202-V245 HydrophobicContact CD1-CB 3.93Å; L202-V245 HydrophobicContact CD1-CG2 4.28Å; L202-V245 PolarHBondContact N-O 3.08Å; L202-V245 PolarHBondContact O-N 2.88Å; L202-I247 HydrophobicContact CD2-CD1 3.81Å; L202-I247 HydrophobicContact CD2-CG1 4.04Å |
| 203 | H | 86.8 | Confident | 85.2 | Confident | 76 Ų | 76 | 35.6 Ų | 35.6 | 35% | 0.352 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 111 | 170.9 | -76.7 | -85.8 | 0 | 0 | 0 | 110.9 | L185 P187 F218 F244 | L185-H203 PolarHBondContact O-N 2.8Å; L185-H203 VanDerWaalsContact O-N 3.08Å; P187-H203 HydrophobicContact CG-CB 3.82Å; H203-F218 WeakPolarHBondContact O-CD2 3.37Å; H203-F244 AromaticContact CE1-CD2 3.44Å; H203-F244 VanDerWaalsContact CE1-CD2 3.44Å; H203-F244 WeakPolarHBondContact CE1-CD2 3.41Å; H203-F244 AromaticContact CE1-CE2 3.72Å; H203-F244 AromaticContact ND1-CD2 3.85Å; H203-F244 AromaticContact NE2-CD2 3.76Å; H203-F244 AromaticContact NE2-CE2 3.58Å |
| 204 | A | 87.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 161.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L202 A216 E217 F218 K242 V243 V245 | L202-A204 HydrophobicContact CD1-CB 3.71Å; A204-A216 HydrophobicContact CB-CB 3.7Å; A204-E217 VanDerWaalsContact CA-O 3.27Å; A204-E217 WeakPolarHBondContact CA-O 3.35Å; A204-E217 WeakPolarHBondContact CB-O 3.46Å; A204-F218 HydrophobicContact CB-CB 4.31Å; A204-K242 WeakPolarHBondContact O-CA 3.26Å; A204-V243 PolarHBondContact N-O 3.42Å; A204-V243 PolarHBondContact O-N 2.85Å; A204-V243 VanDerWaalsContact O-O 3.13Å; A204-V245 HydrophobicContact CB-CG2 3.82Å |
| 205 | S | 90.6 | Very high | 85.8 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 141.6 | 171 | 71.6 | 0 | 0 | 0 | 0 | 111.1 | V207 A216 E217 | S205-V207 PolarHBondContact O-N 2.92Å; S205-A216 CarbonylContact O-C 3.42Å; S205-A216 WeakPolarHBondContact O-CA 3.37Å; S205-A216 WeakPolarHBondContact O-CB 3.36Å; S205-E217 PolarHBondContact N-O 2.99Å; S205-E217 PolarHBondContact O-N 2.74Å |
| 206 | I | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 113.5 | 178.9 | -66.1 | -179.6 | 0 | 0 | 0 | 110.4 | L214 A216 Y237 I239 G240 A241 V243 | I206-L214 HydrophobicContact CD1-CD1 4.34Å; I206-A216 HydrophobicContact CG1-CB 4.49Å; I206-Y237 HydrophobicContact CD1-CD1 3.79Å; I206-Y237 HydrophobicContact CD1-CG 4.1Å; I206-I239 CarbonylContact O-C 3.55Å; I206-I239 WeakPolarHBondContact O-CA 3.28Å; I206-I239 WeakPolarHBondContact O-CG2 3.31Å; I206-G240 PolarHBondContact O-N 3.03Å; I206-A241 PolarHBondContact N-O 2.86Å; I206-V243 HydrophobicContact CD1-CB 4.48Å; I206-V243 HydrophobicContact CD1-CG1 3.68Å; I206-V243 HydrophobicContact CD1-CG2 3.98Å; I206-V243 HydrophobicContact CG1-CG1 4.16Å; I206-V243 HydrophobicContact CG1-CG2 3.71Å |
| 207 | V | 90.5 | Very high | 86.6 | Confident | 42 Ų | 42 | 37.3 Ų | 37.3 | 26% | 0.255 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -44.6 | -175.4 | -166.5 | 0 | 0 | 0 | 0 | 112.4 | S205 V215 E217 | S205-V207 PolarHBondContact O-N 2.92Å; V207-V215 PolarHBondContact N-O 2.98Å; V207-E217 HydrophobicContact CG2-CB 3.38Å; V207-E217 HydrophobicContact CG2-CG 4.32Å; V207-E217 WeakPolarHBondContact CG2-OE2 3.29Å |
| 208 | K | 88.3 | Confident | 86.5 | Confident | 119 Ų | 119 | 37.3 Ų | 37.3 | 52% | 0.517 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 147 | -171.8 | -62.8 | 176 | -175.7 | 164.6 | 0 | 113.5 | V210 V215 | K208-V210 HydrophobicContact CB-CG2 4.39Å; K208-V215 HydrophobicContact CB-CB 4.09Å; K208-V215 HydrophobicContact CB-CG2 4.41Å; K208-V215 PolarHBondContact N-O 3.48Å; K208-V215 PolarHBondContact O-N 3.03Å |
| 209 | K | 86.6 | Confident | 86.2 | Confident | 63 Ų | 63 | 39.8 Ų | 39.8 | 27% | 0.274 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 67.4 | -171.9 | -84 | -166.4 | -178.2 | -164.5 | 0 | 111.5 | T211 L214 K234 E235 Y237 I239 | K209-T211 PolarHBondContact O-N 3.26Å; K209-L214 HydrophobicContact CG-CD2 4.12Å; K209-K234 WeakPolarHBondContact CE-O 3.3Å; K209-K234 PolarHBondContact NZ-O 3.25Å; K209-K234 WeakPolarHBondContact O-CE 3.29Å; K209-K234 PolarHBondContact O-NZ 2.9Å; K209-E235 PolarHBondContact NZ-O 3.45Å; K209-E235 VanDerWaalsContact NZ-O 3.12Å; K209-Y237 WeakPolarHBondContact CE-O 3.5Å; K209-Y237 PolarHBondContact NZ-O 2.86Å; K209-I239 HydrophobicContact CD-CD1 4.39Å; K209-I239 HydrophobicContact CD-CG1 4.25Å; K209-I239 HydrophobicContact CG-CD1 4.4Å; K209-I239 HydrophobicContact CG-CG1 4.28Å |
| 210 | V | 81.1 | Confident | 86.3 | Confident | 82 Ų | 82 | 45.4 Ų | 45.4 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 112.6 | -170.2 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | K208 S212 T213 V215 | K208-V210 HydrophobicContact CB-CG2 4.39Å; V210-S212 PolarHBondContact O-N 3.43Å; V210-T213 PolarHBondContact N-O 3.14Å; V210-T213 PolarHBondContact O-N 3Å; V210-V215 HydrophobicContact CG2-CG2 4.34Å |
| 211 | T | 79.6 | Confident | 86.5 | Confident | 123 Ų | 123 | 45.9 Ų | 45.9 | 76% | 0.755 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | -97.6 | -179.4 | -49.8 | 0 | 0 | 0 | 0 | 113 | K209 K234 | K209-T211 PolarHBondContact O-N 3.26Å; T211-K234 VanDerWaalsContact O-CD 3.23Å; T211-K234 WeakPolarHBondContact O-CD 3.01Å; T211-K234 VanDerWaalsContact O-CE 3.27Å; T211-K234 WeakPolarHBondContact O-CE 3.45Å; T211-K234 PolarHBondContact O-NZ 2.9Å |
| 212 | S | 76.9 | Confident | 86.8 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 20 | 177.3 | 66.1 | 0 | 0 | 0 | 0 | 113 | V210 R227 | V210-S212 PolarHBondContact O-N 3.43Å; S212-R227 VanDerWaalsContact O-CB 3.32Å; S212-R227 WeakPolarHBondContact O-CB 3.32Å; S212-R227 PolarHBondContact O-N 3.39Å |
| 213 | T | 84.7 | Confident | 87.1 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 26% | 0.258 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.8 | -177.8 | -55.9 | 0 | 0 | 0 | 0 | 107.8 | V210 I225 | V210-T213 PolarHBondContact N-O 3.14Å; V210-T213 PolarHBondContact O-N 3Å; T213-I225 WeakPolarHBondContact CA-O 3.29Å; T213-I225 WeakPolarHBondContact CG2-O 3.36Å |
| 214 | L | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.8 | 166.3 | -59.7 | 171.3 | 0 | 0 | 0 | 107.5 | I206 K209 I225 Y230 K234 Y237 L261 | I206-L214 HydrophobicContact CD1-CD1 4.34Å; K209-L214 HydrophobicContact CG-CD2 4.12Å; L214-I225 HydrophobicContact CB-CB 4.21Å; L214-I225 PolarHBondContact N-O 2.74Å; L214-I225 PolarHBondContact O-N 3.31Å; L214-Y230 HydrophobicContact CD1-CD1 3.87Å; L214-Y230 HydrophobicContact CD1-CD2 4.14Å; L214-Y230 HydrophobicContact CD1-CE1 3.84Å; L214-Y230 HydrophobicContact CD1-CE2 4.1Å; L214-Y230 HydrophobicContact CD1-CG 3.99Å; L214-Y230 HydrophobicContact CG-CD1 4.22Å; L214-Y230 HydrophobicContact CG-CE1 3.77Å; L214-K234 HydrophobicContact CD2-CG 4.25Å; L214-Y237 HydrophobicContact CD1-CD1 4.26Å; L214-Y237 HydrophobicContact CD1-CD2 3.79Å; L214-Y237 HydrophobicContact CD1-CE2 4.3Å; L214-Y237 HydrophobicContact CD1-CG 3.76Å; L214-L261 HydrophobicContact CD1-CD1 4.02Å |
| 215 | V | 91.4 | Very high | 87.4 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115.4 | 173 | -177.3 | 0 | 0 | 0 | 0 | 107 | V207 K208 V210 F222 | V207-V215 PolarHBondContact N-O 2.98Å; K208-V215 HydrophobicContact CB-CB 4.09Å; K208-V215 HydrophobicContact CB-CG2 4.41Å; K208-V215 PolarHBondContact N-O 3.48Å; K208-V215 PolarHBondContact O-N 3.03Å; V210-V215 HydrophobicContact CG2-CG2 4.34Å; V215-F222 HydrophobicContact CG1-CB 4.11Å; V215-F222 HydrophobicContact CG1-CD1 4Å; V215-F222 HydrophobicContact CG1-CG 4.37Å |
| 216 | A | 90.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 157 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | A204 S205 I206 F222 V223 I225 | A204-A216 HydrophobicContact CB-CB 3.7Å; S205-A216 CarbonylContact O-C 3.42Å; S205-A216 WeakPolarHBondContact O-CA 3.37Å; S205-A216 WeakPolarHBondContact O-CB 3.36Å; I206-A216 HydrophobicContact CG1-CB 4.49Å; A216-F222 CarbonylContact O-C 3.58Å; A216-F222 WeakPolarHBondContact O-CA 3.21Å; A216-V223 PolarHBondContact N-O 3.01Å; A216-V223 PolarHBondContact O-N 3.48Å; A216-I225 HydrophobicContact CB-CD1 3.95Å |
| 217 | E | 89.6 | Confident | 86.6 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 33% | 0.327 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.2 | -177.8 | 179.9 | 171.9 | -113.3 | 0 | 0 | 109.8 | A204 S205 V207 Y221 F222 | A204-E217 VanDerWaalsContact CA-O 3.27Å; A204-E217 WeakPolarHBondContact CA-O 3.35Å; A204-E217 WeakPolarHBondContact CB-O 3.46Å; S205-E217 PolarHBondContact N-O 2.99Å; S205-E217 PolarHBondContact O-N 2.74Å; V207-E217 HydrophobicContact CG2-CB 3.38Å; V207-E217 HydrophobicContact CG2-CG 4.32Å; V207-E217 WeakPolarHBondContact CG2-OE2 3.29Å; E217-Y221 WeakPolarHBondContact CA-O 3.37Å; E217-F222 HydrophobicContact CB-CD1 4.22Å; E217-F222 HydrophobicContact CB-CE1 4.17Å; E217-F222 HydrophobicContact CG-CD1 4.43Å; E217-F222 HydrophobicContact CG-CE1 4.07Å; E217-F222 WeakPolarHBondContact OE1-CE1 3.36Å; E217-F222 WeakPolarHBondContact OE1-CZ 3.48Å |
| 218 | F | 87 | Confident | 86 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.013 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 117 | 178.4 | 169.7 | -96 | 0 | 0 | 0 | 108.7 | L185 S186 M196 L202 H203 A204 E220 Y221 | L185-F218 HydrophobicContact CB-CE2 3.88Å; L185-F218 HydrophobicContact CB-CZ 3.68Å; L185-F218 HydrophobicContact CD1-CE1 4.27Å; L185-F218 HydrophobicContact CD1-CZ 3.96Å; L185-F218 HydrophobicContact CG-CZ 4.47Å; S186-F218 WeakPolarHBondContact O-CE2 3.48Å; M196-F218 HydrophobicContact SD-CD1 4.3Å; M196-F218 HydrophobicContact SD-CE1 4.21Å; L202-F218 HydrophobicContact CB-CD2 3.91Å; L202-F218 HydrophobicContact CB-CE2 3.94Å; L202-F218 HydrophobicContact CB-CG 4.4Å; L202-F218 HydrophobicContact CB-CZ 4.47Å; L202-F218 HydrophobicContact CD1-CB 3.91Å; L202-F218 HydrophobicContact CD1-CD2 3.99Å; L202-F218 HydrophobicContact CD1-CG 3.99Å; L202-F218 HydrophobicContact CD2-CB 4.25Å; L202-F218 HydrophobicContact CD2-CD1 3.88Å; L202-F218 HydrophobicContact CD2-CD2 4.18Å; L202-F218 HydrophobicContact CD2-CE1 4.33Å; L202-F218 HydrophobicContact CD2-CG 3.82Å; L202-F218 HydrophobicContact CG-CD2 4.25Å; L202-F218 HydrophobicContact CG-CG 4.3Å; H203-F218 WeakPolarHBondContact O-CD2 3.37Å; A204-F218 HydrophobicContact CB-CB 4.31Å; F218-E220 PolarHBondContact O-N 2.92Å; F218-E220 VanDerWaalsContact O-N 3.14Å; F218-Y221 PolarHBondContact N-O 3.25Å; F218-Y221 PolarHBondContact O-N 2.82Å |
| 219 | S | 81.9 | Confident | 85.8 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | -117.9 | -170.2 | -164.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 220 | E | 84.2 | Confident | 85.8 | Confident | 136 Ų | 136 | 42.9 Ų | 42.9 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 7 | 176.9 | 63.9 | -165.6 | 169.7 | 0 | 0 | 114.6 | F218 | F218-E220 PolarHBondContact O-N 2.92Å; F218-E220 VanDerWaalsContact O-N 3.14Å |
| 221 | Y | 87.7 | Confident | 85.7 | Confident | 28 Ų | 28 | 43.6 Ų | 43.6 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.5 | -168.1 | -57.7 | -79.8 | 0 | 0 | 0 | 114.1 | F193 M196 E217 F218 | F193-Y221 HydrophobicContact CB-CE1 3.74Å; F193-Y221 AromaticContact CD2-CD1 3.99Å; F193-Y221 HydrophobicContact CD2-CD1 3.99Å; F193-Y221 AromaticContact CD2-CE1 3.77Å; F193-Y221 HydrophobicContact CD2-CE1 3.77Å; F193-Y221 HydrophobicContact CG-CE1 4.22Å; F193-Y221 PolarHBondContact N-OH 2.88Å; M196-Y221 HydrophobicContact CE-CD1 3.86Å; M196-Y221 HydrophobicContact CE-CD2 3.41Å; M196-Y221 VanDerWaalsContact CE-CD2 3.41Å; M196-Y221 HydrophobicContact CE-CE1 4.07Å; M196-Y221 HydrophobicContact CE-CE2 3.64Å; M196-Y221 HydrophobicContact CE-CG 3.55Å; E217-Y221 WeakPolarHBondContact CA-O 3.37Å; F218-Y221 PolarHBondContact N-O 3.25Å; F218-Y221 PolarHBondContact O-N 2.82Å |
| 222 | F | 90.7 | Very high | 85.4 | Confident | 106 Ų | 106 | 39.7 Ų | 39.7 | 47% | 0.465 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 120.4 | 173.6 | -64.4 | -65.6 | 0 | 0 | 0 | 112.2 | V215 A216 E217 | V215-F222 HydrophobicContact CG1-CB 4.11Å; V215-F222 HydrophobicContact CG1-CD1 4Å; V215-F222 HydrophobicContact CG1-CG 4.37Å; A216-F222 CarbonylContact O-C 3.58Å; A216-F222 WeakPolarHBondContact O-CA 3.21Å; E217-F222 HydrophobicContact CB-CD1 4.22Å; E217-F222 HydrophobicContact CB-CE1 4.17Å; E217-F222 HydrophobicContact CG-CD1 4.43Å; E217-F222 HydrophobicContact CG-CE1 4.07Å; E217-F222 WeakPolarHBondContact OE1-CE1 3.36Å; E217-F222 WeakPolarHBondContact OE1-CZ 3.48Å |
| 223 | V | 91.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 117.2 | 175.6 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | A216 I225 V245 L257 | A216-V223 PolarHBondContact N-O 3.01Å; A216-V223 PolarHBondContact O-N 3.48Å; V223-I225 HydrophobicContact CG1-CG1 4.38Å; V223-V245 HydrophobicContact CG1-CG1 3.98Å; V223-L257 HydrophobicContact CB-CB 4.44Å; V223-L257 HydrophobicContact CG1-CB 4.35Å; V223-L257 HydrophobicContact CG2-CB 4.12Å; V223-L257 HydrophobicContact CG2-CD1 3.92Å |
| 224 | S | 91.4 | Very high | 84.6 | Confident | 38 Ų | 38 | 41.1 Ų | 41.1 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.6 | 177.8 | 65.9 | 0 | 0 | 0 | 0 | 111.6 | L257 T258 G259 | S224-L257 PolarHBondContact N-O 2.93Å; S224-L257 PolarHBondContact OG-O 3.17Å; S224-T258 CarbonylContact O-C 3.58Å; S224-T258 VanDerWaalsContact O-CA 3.23Å; S224-T258 WeakPolarHBondContact O-CA 3.45Å; S224-T258 VanDerWaalsContact O-CG2 3.28Å; S224-T258 WeakPolarHBondContact O-CG2 3.37Å; S224-G259 PolarHBondContact O-N 3.02Å |
| 225 | I | 90.4 | Very high | 84 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 101.8 | -174 | -55 | 167.7 | 0 | 0 | 0 | 108.2 | T213 L214 A216 V223 Y230 V245 L261 | T213-I225 WeakPolarHBondContact CA-O 3.29Å; T213-I225 WeakPolarHBondContact CG2-O 3.36Å; L214-I225 HydrophobicContact CB-CB 4.21Å; L214-I225 PolarHBondContact N-O 2.74Å; L214-I225 PolarHBondContact O-N 3.31Å; A216-I225 HydrophobicContact CB-CD1 3.95Å; V223-I225 HydrophobicContact CG1-CG1 4.38Å; I225-Y230 HydrophobicContact CG2-CD1 4.2Å; I225-V245 HydrophobicContact CD1-CG1 3.97Å; I225-V245 HydrophobicContact CD1-CG2 4.14Å; I225-V245 HydrophobicContact CG1-CG1 4.27Å; I225-L261 HydrophobicContact CD1-CD1 4Å; I225-L261 HydrophobicContact CD1-CD2 4.23Å; I225-L261 HydrophobicContact CD1-CG 3.97Å; I225-L261 HydrophobicContact CG2-CD1 4.08Å; I225-L261 HydrophobicContact CG2-CG 3.98Å |
| 226 | S | 85.4 | Confident | 83.5 | Confident | 35 Ų | 35 | 50.7 Ų | 50.7 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 151.8 | -179.8 | 175 | 0 | 0 | 0 | 0 | 111.8 | T228 H229 | S226-T228 PolarHBondContact O-N 3.44Å; S226-T228 VanDerWaalsContact O-N 3.07Å; S226-H229 WeakPolarHBondContact O-CA 3.5Å; S226-H229 PolarHBondContact O-N 3.22Å |
| 227 | R | 79.9 | Confident | 83.1 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -61.1 | -16.7 | -179.7 | -170.2 | 52.2 | -175.6 | -106.1 | -4.8 | 115.6 | S212 Y230 G232 N233 | S212-R227 VanDerWaalsContact O-CB 3.32Å; S212-R227 WeakPolarHBondContact O-CB 3.32Å; S212-R227 PolarHBondContact O-N 3.39Å; R227-Y230 HydrophobicContact CB-CE1 4.19Å; R227-Y230 WeakPolarHBondContact CD-OH 3.42Å; R227-Y230 HydrophobicContact CG-CE1 4.43Å; R227-Y230 PolarHBondContact NH1-OH 3.35Å; R227-G232 VanDerWaalsContact CZ-O 3.23Å; R227-G232 PolarHBondContact NH2-O 2.84Å; R227-N233 PolarHBondContact NH2-OD1 2.91Å |
| 228 | T | 77.5 | Confident | 82.8 | Confident | 62 Ų | 62 | 56.6 Ų | 56.6 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -77.2 | -11.9 | 171.5 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | S226 E348 | S226-T228 PolarHBondContact O-N 3.44Å; S226-T228 VanDerWaalsContact O-N 3.07Å; T228-E348 WeakPolarHBondContact CB-OE1 3.39Å; T228-E348 PolarHBondContact OG1-OE1 3.43Å |
| 229 | H | 85 | Confident | 82.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -115.4 | 26.7 | -175.4 | -63.1 | -79 | 0 | 0 | 0 | 113.7 | H25 S226 I248 L261 L262 E348 | H25-H229 AromaticContact ND1-NE2 3.83Å; S226-H229 WeakPolarHBondContact O-CA 3.5Å; S226-H229 PolarHBondContact O-N 3.22Å; H229-I248 WeakPolarHBondContact NE2-CD1 3.41Å; H229-L261 WeakPolarHBondContact O-CA 3.35Å; H229-L261 PolarHBondContact O-N 2.98Å; H229-L262 HydrophobicContact CB-CG 4.39Å; H229-E348 IonicContact NE2-OE1 2.6Å |
| 230 | Y | 85.9 | Confident | 82.8 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 4% | 0.039 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -149.2 | 150.8 | 168 | 73 | -103.1 | 0 | 0 | 0 | 112.2 | L214 I225 R227 N233 K234 Y237 | L214-Y230 HydrophobicContact CD1-CD1 3.87Å; L214-Y230 HydrophobicContact CD1-CD2 4.14Å; L214-Y230 HydrophobicContact CD1-CE1 3.84Å; L214-Y230 HydrophobicContact CD1-CE2 4.1Å; L214-Y230 HydrophobicContact CD1-CG 3.99Å; L214-Y230 HydrophobicContact CG-CD1 4.22Å; L214-Y230 HydrophobicContact CG-CE1 3.77Å; I225-Y230 HydrophobicContact CG2-CD1 4.2Å; R227-Y230 HydrophobicContact CB-CE1 4.19Å; R227-Y230 WeakPolarHBondContact CD-OH 3.42Å; R227-Y230 HydrophobicContact CG-CE1 4.43Å; R227-Y230 PolarHBondContact NH1-OH 3.35Å; Y230-N233 WeakPolarHBondContact CE2-O 3.25Å; Y230-K234 WeakPolarHBondContact OH-CB 3.35Å; Y230-Y237 HydrophobicContact CD2-CD2 4.11Å; Y230-Y237 AromaticContact CD2-CE2 3.49Å; Y230-Y237 HydrophobicContact CD2-CE2 3.49Å; Y230-Y237 VanDerWaalsContact CD2-CE2 3.49Å; Y230-Y237 HydrophobicContact CE2-CD2 4.22Å; Y230-Y237 HydrophobicContact CE2-CE2 4.02Å; Y230-Y237 HydrophobicContact CG-CE2 4.26Å |
| 231 | I | 78.2 | Confident | 83 | Confident | 98 Ų | 98 | 56.8 Ų | 56.8 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | trans | -89.1 | 157.2 | -176.2 | -69.2 | -175.7 | 0 | 0 | 0 | 110.5 | Y237 L262 P263 | I231-Y237 PolarHBondContact N-OH 2.98Å; I231-Y237 VanDerWaalsContact O-CE2 3.29Å; I231-Y237 WeakPolarHBondContact O-CE2 3.22Å; I231-Y237 PolarHBondContact O-OH 3.26Å; I231-L262 HydrophobicContact CG1-CD2 4.42Å; I231-P263 VanDerWaalsContact CD1-CD 3.4Å; I231-P263 HydrophobicContact CD1-CG 3.65Å | ||
| 232 | G | 74.6 | Confident | 82.9 | Confident | 40 Ų | 40 | 64 Ų | 64 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 71 | -146.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R227 D236 | R227-G232 VanDerWaalsContact CZ-O 3.23Å; R227-G232 PolarHBondContact NH2-O 2.84Å; G232-D236 WeakPolarHBondContact CA-OD2 3.28Å |
| 233 | N | 70.8 | Confident | 82.7 | Confident | 81 Ų | 81 | 59.8 Ų | 59.8 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | trans | -110.5 | 177.1 | -173.2 | -108.5 | -8.4 | 0 | 0 | 0 | 113.2 | R227 Y230 E235 D236 | R227-N233 PolarHBondContact NH2-OD1 2.91Å; Y230-N233 WeakPolarHBondContact CE2-O 3.25Å; N233-E235 VanDerWaalsContact C-N 3.33Å; N233-E235 WeakPolarHBondContact CB-OE2 3.26Å; N233-D236 WeakPolarHBondContact CA-OD1 3.48Å; N233-D236 WeakPolarHBondContact CB-OD1 3.4Å; N233-D236 VanDerWaalsContact N-CG 3.29Å; N233-D236 PolarHBondContact N-OD1 3.29Å; N233-D236 PolarHBondContact N-OD2 3.4Å | ||
| 234 | K | 72.6 | Confident | 82.5 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -85.5 | -17.8 | -174.5 | -173.1 | -175.3 | 167.3 | -156.9 | 0 | 111.2 | K209 T211 L214 Y230 | K209-K234 WeakPolarHBondContact CE-O 3.3Å; K209-K234 PolarHBondContact NZ-O 3.25Å; K209-K234 WeakPolarHBondContact O-CE 3.29Å; K209-K234 PolarHBondContact O-NZ 2.9Å; T211-K234 VanDerWaalsContact O-CD 3.23Å; T211-K234 WeakPolarHBondContact O-CD 3.01Å; T211-K234 VanDerWaalsContact O-CE 3.27Å; T211-K234 WeakPolarHBondContact O-CE 3.45Å; T211-K234 PolarHBondContact O-NZ 2.9Å; L214-K234 HydrophobicContact CD2-CG 4.25Å; Y230-K234 WeakPolarHBondContact OH-CB 3.35Å |
| 235 | E | 77.5 | Confident | 82.4 | Confident | 125 Ų | 125 | 60.9 Ų | 60.9 | 58% | 0.584 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -71.3 | -48.9 | 178.1 | -63.5 | 60 | -118.2 | 0 | 0 | 108.7 | K209 N233 Y237 | K209-E235 PolarHBondContact NZ-O 3.45Å; K209-E235 VanDerWaalsContact NZ-O 3.12Å; N233-E235 VanDerWaalsContact C-N 3.33Å; N233-E235 WeakPolarHBondContact CB-OE2 3.26Å; E235-Y237 PolarHBondContact O-N 2.81Å |
| 236 | D | 80.4 | Confident | 82.3 | Confident | 102 Ų | 102 | 60.9 Ų | 60.9 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -45.4 | -36 | -175.7 | -46.8 | 18.7 | 0 | 0 | 0 | 114.7 | G232 N233 | G232-D236 WeakPolarHBondContact CA-OD2 3.28Å; N233-D236 WeakPolarHBondContact CA-OD1 3.48Å; N233-D236 WeakPolarHBondContact CB-OD1 3.4Å; N233-D236 VanDerWaalsContact N-CG 3.29Å; N233-D236 PolarHBondContact N-OD1 3.29Å; N233-D236 PolarHBondContact N-OD2 3.4Å |
| 237 | Y | 83.7 | Confident | 82.5 | Confident | 44 Ų | 44 | 59.2 Ų | 59.2 | 17% | 0.173 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -92.5 | 102.1 | 179.3 | -67 | -89 | 0 | 0 | 0 | 110.6 | I206 K209 L214 Y230 I231 E235 V243 L261 | I206-Y237 HydrophobicContact CD1-CD1 3.79Å; I206-Y237 HydrophobicContact CD1-CG 4.1Å; K209-Y237 WeakPolarHBondContact CE-O 3.5Å; K209-Y237 PolarHBondContact NZ-O 2.86Å; L214-Y237 HydrophobicContact CD1-CD1 4.26Å; L214-Y237 HydrophobicContact CD1-CD2 3.79Å; L214-Y237 HydrophobicContact CD1-CE2 4.3Å; L214-Y237 HydrophobicContact CD1-CG 3.76Å; Y230-Y237 HydrophobicContact CD2-CD2 4.11Å; Y230-Y237 AromaticContact CD2-CE2 3.49Å; Y230-Y237 HydrophobicContact CD2-CE2 3.49Å; Y230-Y237 VanDerWaalsContact CD2-CE2 3.49Å; Y230-Y237 HydrophobicContact CE2-CD2 4.22Å; Y230-Y237 HydrophobicContact CE2-CE2 4.02Å; Y230-Y237 HydrophobicContact CG-CE2 4.26Å; I231-Y237 PolarHBondContact N-OH 2.98Å; I231-Y237 VanDerWaalsContact O-CE2 3.29Å; I231-Y237 WeakPolarHBondContact O-CE2 3.22Å; I231-Y237 PolarHBondContact O-OH 3.26Å; E235-Y237 PolarHBondContact O-N 2.81Å; Y237-V243 HydrophobicContact CD1-CG1 4.34Å; Y237-L261 HydrophobicContact CD1-CD1 4.12Å; Y237-L261 HydrophobicContact CE1-CD1 3.66Å |
| 238 | Q | 83.5 | Confident | 83 | Confident | 149 Ų | 149 | 57.5 Ų | 57.5 | 70% | 0.696 | 31% | 0.309 | S | S | * | . | trans | -67 | 152.5 | -179.7 | -63 | -176.2 | 0.6 | 0 | 0 | 112.6 | A241 | Q238-A241 HydrophobicContact CB-CB 4.37Å; Q238-A241 WeakPolarHBondContact O-CB 3.27Å; Q238-A241 PolarHBondContact O-N 2.97Å | ||
| 239 | I | 85.3 | Confident | 83.6 | Confident | 110 Ų | 110 | 55.1 Ų | 55.1 | 56% | 0.564 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 136.7 | 170.7 | -63.5 | 176.5 | 0 | 0 | 0 | 107.6 | I206 K209 A241 | I206-I239 CarbonylContact O-C 3.55Å; I206-I239 WeakPolarHBondContact O-CA 3.28Å; I206-I239 WeakPolarHBondContact O-CG2 3.31Å; K209-I239 HydrophobicContact CD-CD1 4.39Å; K209-I239 HydrophobicContact CD-CG1 4.25Å; K209-I239 HydrophobicContact CG-CD1 4.4Å; K209-I239 HydrophobicContact CG-CG1 4.28Å; I239-A241 VanDerWaalsContact C-N 3.28Å |
| 240 | G | 83.5 | Confident | 83.9 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 56% | 0.557 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -8.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I206 K242 | I206-G240 PolarHBondContact O-N 3.03Å; G240-K242 PolarHBondContact O-N 3.18Å |
| 241 | A | 86.9 | Confident | 84.1 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | trans | -63.5 | 127.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I206 Q238 I239 | I206-A241 PolarHBondContact N-O 2.86Å; Q238-A241 HydrophobicContact CB-CB 4.37Å; Q238-A241 WeakPolarHBondContact O-CB 3.27Å; Q238-A241 PolarHBondContact O-N 2.97Å; I239-A241 VanDerWaalsContact C-N 3.28Å | ||
| 242 | K | 86.8 | Confident | 84.3 | Confident | 178 Ų | 178 | 53.4 Ų | 53.4 | 77% | 0.774 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125.4 | 169.9 | -67.2 | -175 | 178.5 | -175.9 | 0 | 108.8 | A204 G240 | A204-K242 WeakPolarHBondContact O-CA 3.26Å; G240-K242 PolarHBondContact O-N 3.18Å |
| 243 | V | 86.9 | Confident | 84.7 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152 | -179.3 | -66.7 | 0 | 0 | 0 | 0 | 110.9 | A204 I206 Y237 V245 L261 | A204-V243 PolarHBondContact N-O 3.42Å; A204-V243 PolarHBondContact O-N 2.85Å; A204-V243 VanDerWaalsContact O-O 3.13Å; I206-V243 HydrophobicContact CD1-CB 4.48Å; I206-V243 HydrophobicContact CD1-CG1 3.68Å; I206-V243 HydrophobicContact CD1-CG2 3.98Å; I206-V243 HydrophobicContact CG1-CG1 4.16Å; I206-V243 HydrophobicContact CG1-CG2 3.71Å; Y237-V243 HydrophobicContact CD1-CG1 4.34Å; V243-V245 HydrophobicContact CG2-CG2 3.89Å; V243-L261 HydrophobicContact CB-CD2 3.92Å; V243-L261 HydrophobicContact CG2-CD2 4.02Å |
| 244 | F | 86.4 | Confident | 85.4 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 119.6 | 179.9 | -153 | -77.1 | 0 | 0 | 0 | 107.8 | V184 C201 H203 L261 V266 | V184-F244 HydrophobicContact CB-CZ 4.16Å; V184-F244 HydrophobicContact CG1-CE1 4.14Å; V184-F244 HydrophobicContact CG1-CE2 3.66Å; V184-F244 HydrophobicContact CG1-CZ 3.44Å; V184-F244 VanDerWaalsContact CG1-CZ 3.44Å; V184-F244 HydrophobicContact CG2-CE1 4.36Å; V184-F244 HydrophobicContact CG2-CE2 4.32Å; V184-F244 HydrophobicContact CG2-CZ 3.56Å; C201-F244 HydrophobicContact CB-CD1 4.36Å; C201-F244 HydrophobicContact CB-CE1 3.73Å; H203-F244 AromaticContact CE1-CD2 3.44Å; H203-F244 VanDerWaalsContact CE1-CD2 3.44Å; H203-F244 WeakPolarHBondContact CE1-CD2 3.41Å; H203-F244 AromaticContact CE1-CE2 3.72Å; H203-F244 AromaticContact ND1-CD2 3.85Å; H203-F244 AromaticContact NE2-CD2 3.76Å; H203-F244 AromaticContact NE2-CE2 3.58Å; F244-L261 VanDerWaalsContact O-CD2 3.29Å; F244-L261 WeakPolarHBondContact O-CD2 3.46Å; F244-V266 HydrophobicContact CB-CG1 3.79Å; F244-V266 HydrophobicContact CD1-CG1 3.74Å; F244-V266 WeakPolarHBondContact CD1-O 3.42Å; F244-V266 WeakPolarHBondContact CE1-O 3.4Å; F244-V266 HydrophobicContact CG-CG1 4.13Å; F244-V266 WeakPolarHBondContact O-CG1 3.42Å |
| 245 | V | 88.5 | Confident | 86 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130 | -169.9 | -163.8 | 0 | 0 | 0 | 0 | 110.3 | C201 L202 A204 V223 I225 V243 L261 | C201-V245 WeakPolarHBondContact CA-O 3.49Å; L202-V245 HydrophobicContact CD1-CB 3.93Å; L202-V245 HydrophobicContact CD1-CG2 4.28Å; L202-V245 PolarHBondContact N-O 3.08Å; L202-V245 PolarHBondContact O-N 2.88Å; A204-V245 HydrophobicContact CB-CG2 3.82Å; V223-V245 HydrophobicContact CG1-CG1 3.98Å; I225-V245 HydrophobicContact CD1-CG1 3.97Å; I225-V245 HydrophobicContact CD1-CG2 4.14Å; I225-V245 HydrophobicContact CG1-CG1 4.27Å; V243-V245 HydrophobicContact CG2-CG2 3.89Å; V245-L261 HydrophobicContact CG2-CD2 3.9Å |
| 246 | C | 88.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 127.8 | 168.3 | 166.2 | 0 | 0 | 0 | 0 | 110.2 | I248 G259 S260 L265 I269 | C246-I248 PolarHBondContact O-N 2.94Å; C246-G259 CarbonylContact O-C 3.58Å; C246-G259 WeakPolarHBondContact O-CA 3.48Å; C246-S260 PolarHBondContact N-O 2.85Å; C246-S260 VanDerWaalsContact N-O 3.08Å; C246-S260 PolarHBondContact O-N 2.93Å; C246-L265 HydrophobicContact CB-CB 4.46Å; C246-L265 WeakPolarHBondContact CB-O 3.25Å; C246-L265 PolarHBondContact SG-O 3.43Å; C246-L265 VanDerWaalsContact SG-O 3.4Å; C246-I269 VanDerWaalsContact SG-CD1 3.57Å |
| 247 | I | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 121.9 | 174.2 | -62.1 | 179.6 | 0 | 0 | 0 | 109.2 | M196 P198 G199 T200 L202 V250 L257 | M196-I247 HydrophobicContact CB-CD1 4.16Å; M196-I247 HydrophobicContact SD-CD1 4.2Å; P198-I247 CarbonylContact C-O 3.41Å; P198-I247 WeakPolarHBondContact CA-O 3.18Å; G199-I247 PolarHBondContact N-O 3.24Å; T200-I247 PolarHBondContact O-N 3.16Å; L202-I247 HydrophobicContact CD2-CD1 3.81Å; L202-I247 HydrophobicContact CD2-CG1 4.04Å; I247-V250 HydrophobicContact CG2-CG2 3.49Å; I247-V250 VanDerWaalsContact CG2-CG2 3.49Å; I247-L257 HydrophobicContact CD1-CD1 4.28Å; I247-L257 HydrophobicContact CD1-CD2 4.38Å; I247-L257 HydrophobicContact CG2-CD2 4.43Å |
| 248 | I | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -22.1 | 179.4 | 60.1 | 169.4 | 0 | 0 | 0 | 113.6 | L8 H229 C246 T258 L265 | L8-I248 HydrophobicContact CD2-CG2 4.37Å; L8-I248 PolarHBondContact N-O 2.89Å; H229-I248 WeakPolarHBondContact NE2-CD1 3.41Å; C246-I248 PolarHBondContact O-N 2.94Å; I248-T258 HydrophobicContact CD1-CG2 4.14Å; I248-T258 HydrophobicContact CG1-CG2 4.14Å; I248-T258 VanDerWaalsContact CG1-O 3.3Å; I248-T258 WeakPolarHBondContact CG1-O 3.39Å; I248-T258 PolarHBondContact N-O 2.86Å; I248-L265 HydrophobicContact CG2-CD1 4.4Å |
| 249 | L | 90.9 | Very high | 87.6 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.068 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 141.4 | 172.7 | -62.3 | 167.8 | 0 | 0 | 0 | 110.6 | M1 T5 L6 A7 P24 T258 | M1-L249 HydrophobicContact CE-CD2 3.52Å; T5-L249 HydrophobicContact CG2-CD2 4.29Å; L6-L249 WeakPolarHBondContact O-CA 3.38Å; A7-L249 HydrophobicContact CB-CD2 3.53Å; P24-L249 HydrophobicContact CB-CD1 4.17Å; P24-L249 HydrophobicContact CB-CD2 4.35Å; P24-L249 HydrophobicContact CB-CG 4.28Å; P24-L249 HydrophobicContact CG-CD1 4.45Å; P24-L249 HydrophobicContact CG-CD2 3.86Å; P24-L249 HydrophobicContact CG-CG 4.02Å; L249-T258 HydrophobicContact CD1-CG2 4.43Å; L249-T258 PolarHBondContact N-O 3.14Å; L249-T258 VanDerWaalsContact N-O 3.15Å; L249-T258 PolarHBondContact O-N 2.84Å |
| 250 | V | 91 | Very high | 87.8 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 116.6 | 170.3 | -175.9 | 0 | 0 | 0 | 0 | 107 | L6 F193 M196 P198 I247 P252 L257 | L6-V250 HydrophobicContact CB-CB 4.27Å; L6-V250 PolarHBondContact N-O 2.66Å; L6-V250 PolarHBondContact O-N 3.42Å; F193-V250 HydrophobicContact CE1-CG1 3.99Å; F193-V250 HydrophobicContact CE2-CG1 4.31Å; F193-V250 HydrophobicContact CZ-CG1 3.52Å; M196-V250 WeakPolarHBondContact O-CG2 3.28Å; P198-V250 HydrophobicContact CG-CG2 4.16Å; I247-V250 HydrophobicContact CG2-CG2 3.49Å; I247-V250 VanDerWaalsContact CG2-CG2 3.49Å; V250-P252 WeakPolarHBondContact O-CD 3.35Å; V250-L257 HydrophobicContact CB-CD2 4.35Å; V250-L257 HydrophobicContact CG1-CD2 4.04Å; V250-L257 HydrophobicContact CG2-CD2 3.9Å |
| 251 | D | 88.6 | Confident | 88.1 | Confident | 18 Ų | 18 | 38.1 Ų | 38.1 | 10% | 0.096 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 103.3 | 170.6 | -177.6 | -11.9 | 0 | 0 | 0 | 108.5 | Q2 S253 T254 K255 Q256 | Q2-D251 PolarHBondContact NE2-OD2 2.87Å; D251-S253 PolarHBondContact O-N 2.87Å; D251-S253 WeakPolarHBondContact OD1-CB 3.35Å; D251-S253 PolarHBondContact OD1-N 2.84Å; D251-S253 PolarHBondContact OD1-OG 2.83Å; D251-T254 WeakPolarHBondContact CB-OG1 3.3Å; D251-T254 PolarHBondContact O-N 2.8Å; D251-T254 PolarHBondContact OD1-N 3.1Å; D251-T254 WeakPolarHBondContact OD2-CG2 3.33Å; D251-T254 PolarHBondContact OD2-OG1 3.47Å; D251-K255 VanDerWaalsContact O-CA 3.31Å; D251-K255 WeakPolarHBondContact O-CA 3.49Å; D251-K255 PolarHBondContact O-N 3.48Å; D251-Q256 PolarHBondContact N-O 3.19Å; D251-Q256 PolarHBondContact O-N 2.5Å |
| 252 | P | 84 | Confident | 88 | Confident | 51 Ų | 51 | 37.1 Ų | 37.1 | 33% | 0.331 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -21.7 | -178.3 | 28.8 | -34.9 | 0 | 0 | 0 | 112.9 | E4 V250 | E4-P252 WeakPolarHBondContact O-CG 3.32Å; V250-P252 WeakPolarHBondContact O-CD 3.35Å |
| 253 | S | 82.1 | Confident | 87.7 | Confident | 86 Ų | 86 | 31.9 Ų | 31.9 | 60% | 0.601 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -35.4 | -179.5 | 73.6 | 0 | 0 | 0 | 0 | 112.8 | D251 | D251-S253 PolarHBondContact O-N 2.87Å; D251-S253 WeakPolarHBondContact OD1-CB 3.35Å; D251-S253 PolarHBondContact OD1-N 2.84Å; D251-S253 PolarHBondContact OD1-OG 2.83Å |
| 254 | T | 84.9 | Confident | 87.2 | Confident | 60 Ų | 60 | 33.3 Ų | 33.3 | 37% | 0.368 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -2.3 | -178.7 | 62.8 | 0 | 0 | 0 | 0 | 113.7 | D251 Q256 | D251-T254 WeakPolarHBondContact CB-OG1 3.3Å; D251-T254 PolarHBondContact O-N 2.8Å; D251-T254 PolarHBondContact OD1-N 3.1Å; D251-T254 WeakPolarHBondContact OD2-CG2 3.33Å; D251-T254 PolarHBondContact OD2-OG1 3.47Å; T254-Q256 PolarHBondContact O-N 3.49Å; T254-Q256 WeakPolarHBondContact OG1-CB 3.05Å; T254-Q256 WeakPolarHBondContact OG1-CG 3.4Å |
| 255 | K | 85.8 | Confident | 86.9 | Confident | 118 Ų | 118 | 30.4 Ų | 30.4 | 51% | 0.513 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 29 | -169.2 | -62.5 | -162.7 | 174.8 | -164.6 | 0 | 114.4 | F193 D251 | F193-K255 HydrophobicContact CD1-CD 4.3Å; F193-K255 HydrophobicContact CD1-CG 4.17Å; F193-K255 HydrophobicContact CD2-CB 4.11Å; F193-K255 HydrophobicContact CD2-CD 4.46Å; F193-K255 HydrophobicContact CD2-CG 4.36Å; F193-K255 HydrophobicContact CE1-CB 4.47Å; F193-K255 HydrophobicContact CE1-CG 4.13Å; F193-K255 HydrophobicContact CE2-CB 3.81Å; F193-K255 HydrophobicContact CE2-CG 4.29Å; F193-K255 WeakPolarHBondContact CE2-O 3.36Å; F193-K255 HydrophobicContact CG-CD 4.18Å; F193-K255 HydrophobicContact CG-CG 4.32Å; F193-K255 HydrophobicContact CZ-CB 4.03Å; F193-K255 HydrophobicContact CZ-CG 4.19Å; D251-K255 VanDerWaalsContact O-CA 3.31Å; D251-K255 WeakPolarHBondContact O-CA 3.49Å; D251-K255 PolarHBondContact O-N 3.48Å |
| 256 | Q | 86.9 | Confident | 86.1 | Confident | 119 Ų | 119 | 31.1 Ų | 31.1 | 56% | 0.556 | 17% | 0.172 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 130.2 | -179.8 | -68.5 | -178.9 | 18.1 | 0 | 0 | 111.9 | D251 T254 | D251-Q256 PolarHBondContact N-O 3.19Å; D251-Q256 PolarHBondContact O-N 2.5Å; T254-Q256 PolarHBondContact O-N 3.49Å; T254-Q256 WeakPolarHBondContact OG1-CB 3.05Å; T254-Q256 WeakPolarHBondContact OG1-CG 3.4Å |
| 257 | L | 91.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 135.3 | 171.7 | -60.2 | -180 | 0 | 0 | 0 | 110.5 | F193 M196 V223 S224 I247 V250 | F193-L257 HydrophobicContact CE2-CD2 3.86Å; F193-L257 HydrophobicContact CE2-CG 4.26Å; F193-L257 HydrophobicContact CZ-CD2 4.44Å; M196-L257 HydrophobicContact CE-CD1 3.81Å; M196-L257 HydrophobicContact SD-CD1 3.99Å; V223-L257 HydrophobicContact CB-CB 4.44Å; V223-L257 HydrophobicContact CG1-CB 4.35Å; V223-L257 HydrophobicContact CG2-CB 4.12Å; V223-L257 HydrophobicContact CG2-CD1 3.92Å; S224-L257 PolarHBondContact N-O 2.93Å; S224-L257 PolarHBondContact OG-O 3.17Å; I247-L257 HydrophobicContact CD1-CD1 4.28Å; I247-L257 HydrophobicContact CD1-CD2 4.38Å; I247-L257 HydrophobicContact CG2-CD2 4.43Å; V250-L257 HydrophobicContact CB-CD2 4.35Å; V250-L257 HydrophobicContact CG1-CD2 4.04Å; V250-L257 HydrophobicContact CG2-CD2 3.9Å |
| 258 | T | 91.2 | Very high | 83.2 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 14% | 0.135 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.6 | 164.6 | -42.8 | 0 | 0 | 0 | 0 | 109.3 | S224 I248 L249 | S224-T258 CarbonylContact O-C 3.58Å; S224-T258 VanDerWaalsContact O-CA 3.23Å; S224-T258 WeakPolarHBondContact O-CA 3.45Å; S224-T258 VanDerWaalsContact O-CG2 3.28Å; S224-T258 WeakPolarHBondContact O-CG2 3.37Å; I248-T258 HydrophobicContact CD1-CG2 4.14Å; I248-T258 HydrophobicContact CG1-CG2 4.14Å; I248-T258 VanDerWaalsContact CG1-O 3.3Å; I248-T258 WeakPolarHBondContact CG1-O 3.39Å; I248-T258 PolarHBondContact N-O 2.86Å; L249-T258 HydrophobicContact CD1-CG2 4.43Å; L249-T258 PolarHBondContact N-O 3.14Å; L249-T258 VanDerWaalsContact N-O 3.15Å; L249-T258 PolarHBondContact O-N 2.84Å |
| 259 | G | 90.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 171.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S224 C246 | S224-G259 PolarHBondContact O-N 3.02Å; C246-G259 CarbonylContact O-C 3.58Å; C246-G259 WeakPolarHBondContact O-CA 3.48Å |
| 260 | S | 89.6 | Confident | 80 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 140.4 | -179.3 | 180 | 0 | 0 | 0 | 0 | 112.3 | C246 L262 V266 | C246-S260 PolarHBondContact N-O 2.85Å; C246-S260 VanDerWaalsContact N-O 3.08Å; C246-S260 PolarHBondContact O-N 2.93Å; S260-L262 PolarHBondContact OG-N 3.48Å; S260-V266 WeakPolarHBondContact O-CG2 3.31Å |
| 261 | L | 88.6 | Confident | 78.6 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 9% | 0.089 | 27% | 0.271 | C | S | . | . | trans | -111.5 | 14.5 | 172 | -60.2 | 175.3 | 0 | 0 | 0 | 111.8 | L214 I225 H229 Y237 V243 F244 V245 | L214-L261 HydrophobicContact CD1-CD1 4.02Å; I225-L261 HydrophobicContact CD1-CD1 4Å; I225-L261 HydrophobicContact CD1-CD2 4.23Å; I225-L261 HydrophobicContact CD1-CG 3.97Å; I225-L261 HydrophobicContact CG2-CD1 4.08Å; I225-L261 HydrophobicContact CG2-CG 3.98Å; H229-L261 WeakPolarHBondContact O-CA 3.35Å; H229-L261 PolarHBondContact O-N 2.98Å; Y237-L261 HydrophobicContact CD1-CD1 4.12Å; Y237-L261 HydrophobicContact CE1-CD1 3.66Å; V243-L261 HydrophobicContact CB-CD2 3.92Å; V243-L261 HydrophobicContact CG2-CD2 4.02Å; F244-L261 VanDerWaalsContact O-CD2 3.29Å; F244-L261 WeakPolarHBondContact O-CD2 3.46Å; V245-L261 HydrophobicContact CG2-CD2 3.9Å | ||
| 262 | L | 85.7 | Confident | 77.5 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | trans | -73.3 | 127.3 | 176.7 | -60.7 | 178.5 | 0 | 0 | 0 | 110.2 | H229 I231 S260 H264 L265 V266 | H229-L262 HydrophobicContact CB-CG 4.39Å; I231-L262 HydrophobicContact CG1-CD2 4.42Å; S260-L262 PolarHBondContact OG-N 3.48Å; L262-H264 PolarHBondContact O-N 2.99Å; L262-H264 VanDerWaalsContact O-N 3.09Å; L262-L265 HydrophobicContact CD1-CD1 4.33Å; L262-L265 PolarHBondContact O-N 3.4Å; L262-V266 WeakPolarHBondContact O-CB 3.49Å; L262-V266 VanDerWaalsContact O-CG2 3.23Å; L262-V266 WeakPolarHBondContact O-CG2 3.18Å; L262-V266 PolarHBondContact O-N 3.12Å; L262-V266 VanDerWaalsContact O-N 3.15Å | ||
| 263 | P | 79.1 | Confident | 77 | Confident | 68 Ų | 68 | 47.6 Ų | 47.6 | 44% | 0.442 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -53.3 | -36.9 | -173.8 | -29.7 | 35.7 | 0 | 0 | 0 | 114.9 | I231 L265 V266 N267 | I231-P263 VanDerWaalsContact CD1-CD 3.4Å; I231-P263 HydrophobicContact CD1-CG 3.65Å; P263-L265 PolarHBondContact O-N 3.45Å; P263-V266 PolarHBondContact O-N 3.48Å; P263-N267 PolarHBondContact O-N 2.98Å |
| 264 | H | 77.6 | Confident | 76.5 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 22% | 0.222 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.8 | -2.9 | 179.4 | 67.7 | -92 | 0 | 0 | 0 | 115 | L262 L273 L347 | L262-H264 PolarHBondContact O-N 2.99Å; L262-H264 VanDerWaalsContact O-N 3.09Å; H264-L273 WeakPolarHBondContact O-CD2 3.43Å; H264-L347 PolarHBondContact NE2-O 3.23Å |
| 265 | L | 79.2 | Confident | 76 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -119 | -8 | 172.5 | -59.7 | 178.6 | 0 | 0 | 0 | 112.7 | C246 I248 L262 P263 L273 L347 | C246-L265 HydrophobicContact CB-CB 4.46Å; C246-L265 WeakPolarHBondContact CB-O 3.25Å; C246-L265 PolarHBondContact SG-O 3.43Å; C246-L265 VanDerWaalsContact SG-O 3.4Å; I248-L265 HydrophobicContact CG2-CD1 4.4Å; L262-L265 HydrophobicContact CD1-CD1 4.33Å; L262-L265 PolarHBondContact O-N 3.4Å; P263-L265 PolarHBondContact O-N 3.45Å; L265-L273 HydrophobicContact CD2-CD1 4.46Å; L265-L273 HydrophobicContact CD2-CD2 4.39Å; L265-L347 HydrophobicContact CD1-CD1 3.98Å; L265-L347 HydrophobicContact CD2-CD1 4.15Å |
| 266 | V | 72.3 | Confident | 75.3 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -104.4 | -44.6 | -169.8 | 165.8 | 0 | 0 | 0 | 0 | 111.5 | F244 S260 L262 P263 | F244-V266 HydrophobicContact CB-CG1 3.79Å; F244-V266 HydrophobicContact CD1-CG1 3.74Å; F244-V266 WeakPolarHBondContact CD1-O 3.42Å; F244-V266 WeakPolarHBondContact CE1-O 3.4Å; F244-V266 HydrophobicContact CG-CG1 4.13Å; F244-V266 WeakPolarHBondContact O-CG1 3.42Å; S260-V266 WeakPolarHBondContact O-CG2 3.31Å; L262-V266 WeakPolarHBondContact O-CB 3.49Å; L262-V266 VanDerWaalsContact O-CG2 3.23Å; L262-V266 WeakPolarHBondContact O-CG2 3.18Å; L262-V266 PolarHBondContact O-N 3.12Å; L262-V266 VanDerWaalsContact O-N 3.15Å; P263-V266 PolarHBondContact O-N 3.48Å |
| 267 | N | 60.9 | Low | 74.5 | Confident | 113 Ų | 113 | 44.1 Ų | 44.1 | 60% | 0.604 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -62.4 | 147.7 | 161.5 | -71 | 4.5 | 0 | 0 | 0 | 108.1 | P263 I269 | P263-N267 PolarHBondContact O-N 2.98Å; N267-I269 PolarHBondContact O-N 2.93Å |
| 268 | P | 57.1 | Low | 73.8 | Confident | 57 Ų | 57 | 44.2 Ų | 44.2 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -44 | 115.3 | -169.7 | 18.6 | -35.5 | 0 | 0 | 0 | 110.7 | S180 P270 | S180-P268 WeakPolarHBondContact OG-CG 3.48Å; P268-P270 VanDerWaalsContact O-CD 3.24Å; P268-P270 WeakPolarHBondContact O-CD 3.17Å |
| 269 | I | 57 | Low | 73 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 19% | 0.185 | 27% | 0.268 | C | S | . | . | trans | -57.5 | 110.1 | -159.3 | -56.5 | 173.3 | 0 | 0 | 0 | 108.4 | L8 T69 G199 C246 N267 S271 | L8-I269 HydrophobicContact CD2-CD1 4.21Å; T69-I269 HydrophobicContact CG2-CG2 3.79Å; G199-I269 VanDerWaalsContact O-CD1 3.3Å; G199-I269 WeakPolarHBondContact O-CD1 3.37Å; C246-I269 VanDerWaalsContact SG-CD1 3.57Å; N267-I269 PolarHBondContact O-N 2.93Å; I269-S271 PolarHBondContact O-N 3.31Å | ||
| 270 | P | 57.5 | Low | 72.3 | Confident | 60 Ų | 60 | 50.5 Ų | 50.5 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | trans | -67.3 | 131.7 | -177.4 | 27.2 | -32.2 | 0 | 0 | 0 | 107.5 | P268 V272 L273 | P268-P270 VanDerWaalsContact O-CD 3.24Å; P268-P270 WeakPolarHBondContact O-CD 3.17Å; P270-V272 CarbonylContact O-C 3.59Å; P270-V272 PolarHBondContact O-N 2.84Å; P270-L273 HydrophobicContact CG-CD2 4.13Å | ||
| 271 | S | 61.6 | Low | 71.6 | Confident | 88 Ų | 88 | 54.1 Ų | 54.1 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -52.6 | -27.5 | -173 | -46.8 | 0 | 0 | 0 | 0 | 112.5 | Q68 T69 I269 | Q68-S271 CarbonylContact C-O 3.57Å; Q68-S271 WeakPolarHBondContact CA-O 3.5Å; Q68-S271 WeakPolarHBondContact CG-O 3.5Å; T69-S271 PolarHBondContact N-O 3.26Å; I269-S271 PolarHBondContact O-N 3.31Å |
| 272 | V | 65.6 | Low | 71.1 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -126.1 | 128.6 | 168 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | K65 G67 Q68 P270 | K65-V272 HydrophobicContact CB-CG2 4.49Å; G67-V272 WeakPolarHBondContact O-CA 3.17Å; Q68-V272 HydrophobicContact CB-CG2 4.2Å; P270-V272 CarbonylContact O-C 3.59Å; P270-V272 PolarHBondContact O-N 2.84Å |
| 273 | L | 72.3 | Confident | 70.9 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | trans | -75.6 | 139.7 | 174.2 | -62.4 | 179.6 | 0 | 0 | 0 | 111.8 | V10 G67 T69 H264 L265 P270 I275 F346 | V10-L273 HydrophobicContact CG1-CD1 4.16Å; V10-L273 HydrophobicContact CG2-CD1 3.68Å; G67-L273 PolarHBondContact O-N 2.63Å; T69-L273 HydrophobicContact CG2-CD1 4.46Å; T69-L273 HydrophobicContact CG2-CD2 4.45Å; T69-L273 HydrophobicContact CG2-CG 4.15Å; H264-L273 WeakPolarHBondContact O-CD2 3.43Å; L265-L273 HydrophobicContact CD2-CD1 4.46Å; L265-L273 HydrophobicContact CD2-CD2 4.39Å; P270-L273 HydrophobicContact CG-CD2 4.13Å; L273-I275 HydrophobicContact CB-CG2 4.33Å; L273-I275 PolarHBondContact O-N 2.9Å; L273-F346 WeakPolarHBondContact CD1-O 3.32Å | ||
| 274 | N | 71.3 | Confident | 70.9 | Confident | 130 Ų | 130 | 54 Ų | 54 | 70% | 0.695 | 31% | 0.313 | S | S | * | . | trans | -76.2 | 87.8 | 177.5 | -173.4 | -1.1 | 0 | 0 | 0 | 112.1 | ||||
| 275 | I | 75.2 | Confident | 70.8 | Confident | 13 Ų | 13 | 51.9 Ų | 51.9 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | trans | -91.8 | -8.2 | -178.9 | 58.7 | 177.5 | 0 | 0 | 0 | 114.2 | V66 L273 E277 M278 L279 F346 | V66-I275 HydrophobicContact CG1-CD1 3.89Å; L273-I275 HydrophobicContact CB-CG2 4.33Å; L273-I275 PolarHBondContact O-N 2.9Å; I275-E277 PolarHBondContact O-N 3.06Å; I275-M278 PolarHBondContact O-N 2.84Å; I275-L279 HydrophobicContact CB-CD1 4.42Å; I275-L279 HydrophobicContact CD1-CD1 3.94Å; I275-L279 HydrophobicContact CG1-CD1 3.98Å; I275-L279 PolarHBondContact O-N 3.16Å; I275-L279 VanDerWaalsContact O-N 3.15Å; I275-F346 HydrophobicContact CB-CD1 4.02Å; I275-F346 HydrophobicContact CB-CE1 4.2Å; I275-F346 HydrophobicContact CD1-CD1 4.32Å; I275-F346 HydrophobicContact CD1-CE1 4.14Å; I275-F346 HydrophobicContact CD1-CE2 4.41Å; I275-F346 HydrophobicContact CD1-CZ 4.19Å; I275-F346 HydrophobicContact CG2-CB 4.06Å; I275-F346 HydrophobicContact CG2-CD1 3.57Å; I275-F346 HydrophobicContact CG2-CE1 4.25Å; I275-F346 HydrophobicContact CG2-CG 3.95Å | ||
| 276 | S | 70.1 | Confident | 71 | Confident | 78 Ų | 78 | 54 Ų | 54 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.9 | -35.6 | -167.8 | -57.5 | 0 | 0 | 0 | 0 | 114.2 | S280 | S276-S280 WeakPolarHBondContact O-CB 3.44Å; S276-S280 PolarHBondContact O-N 2.68Å; S276-S280 VanDerWaalsContact O-N 3.11Å; S276-S280 PolarHBondContact O-OG 3.2Å |
| 277 | E | 72 | Confident | 71.6 | Confident | 89 Ų | 89 | 59.5 Ų | 59.5 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 177.5 | -175.3 | 174.7 | -169.9 | 0 | 0 | 112.1 | I275 S280 K281 | I275-E277 PolarHBondContact O-N 3.06Å; E277-S280 PolarHBondContact O-OG 3.12Å; E277-K281 HydrophobicContact CG-CD 3.81Å; E277-K281 HydrophobicContact CG-CG 4.43Å; E277-K281 WeakPolarHBondContact O-CB 3.45Å; E277-K281 WeakPolarHBondContact O-CG 3.25Å; E277-K281 PolarHBondContact O-N 2.87Å; E277-K281 WeakPolarHBondContact OE1-CE 3.39Å; E277-K281 IonicContact OE1-NZ 3.81Å; E277-K281 PolarHBondContact OE1-NZ 2.53Å |
| 278 | M | 76.3 | Confident | 72.8 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.1 | -43 | 178.5 | 179.8 | 172.5 | 56 | 0 | 0 | 111.6 | I275 C282 L311 H344 F346 V350 A351 | I275-M278 PolarHBondContact O-N 2.84Å; M278-C282 WeakPolarHBondContact O-CB 3.16Å; M278-C282 PolarHBondContact O-N 3.04Å; M278-L311 HydrophobicContact CB-CD2 4.45Å; M278-H344 HydrophobicContact CE-CB 4.06Å; M278-F346 HydrophobicContact CE-CD1 3.66Å; M278-F346 HydrophobicContact CE-CE1 3.99Å; M278-V350 VanDerWaalsContact SD-C 3.55Å; M278-A351 HydrophobicContact SD-CB 4.44Å |
| 279 | L | 74.1 | Confident | 73.9 | Confident | 66 Ų | 66 | 57 Ų | 57 | 35% | 0.346 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 179.3 | -70.3 | 174.2 | 0 | 0 | 0 | 112.3 | I275 F346 | I275-L279 HydrophobicContact CB-CD1 4.42Å; I275-L279 HydrophobicContact CD1-CD1 3.94Å; I275-L279 HydrophobicContact CG1-CD1 3.98Å; I275-L279 PolarHBondContact O-N 3.16Å; I275-L279 VanDerWaalsContact O-N 3.15Å; L279-F346 HydrophobicContact CD2-CE1 3.97Å; L279-F346 HydrophobicContact CD2-CZ 4.1Å; L279-F346 HydrophobicContact CG-CE1 4.33Å |
| 280 | S | 74.6 | Confident | 75 | Confident | 88 Ų | 88 | 56.7 Ų | 56.7 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -73.6 | -40.5 | -179.5 | 54 | 0 | 0 | 0 | 0 | 113.6 | S276 E277 | S276-S280 WeakPolarHBondContact O-CB 3.44Å; S276-S280 PolarHBondContact O-N 2.68Å; S276-S280 VanDerWaalsContact O-N 3.11Å; S276-S280 PolarHBondContact O-OG 3.2Å; E277-S280 PolarHBondContact O-OG 3.12Å |
| 281 | K | 75.8 | Confident | 76.3 | Confident | 75 Ų | 75 | 53.8 Ų | 53.8 | 33% | 0.326 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -84 | -24.3 | -178.3 | -65.6 | -176.5 | -178.9 | 177.1 | 0 | 114.1 | E277 N309 L311 | E277-K281 HydrophobicContact CG-CD 3.81Å; E277-K281 HydrophobicContact CG-CG 4.43Å; E277-K281 WeakPolarHBondContact O-CB 3.45Å; E277-K281 WeakPolarHBondContact O-CG 3.25Å; E277-K281 PolarHBondContact O-N 2.87Å; E277-K281 WeakPolarHBondContact OE1-CE 3.39Å; E277-K281 IonicContact OE1-NZ 3.81Å; E277-K281 PolarHBondContact OE1-NZ 2.53Å; K281-N309 PolarHBondContact NZ-ND2 2.92Å; K281-N309 VanDerWaalsContact NZ-ND2 3.15Å; K281-L311 HydrophobicContact CB-CD1 3.95Å; K281-L311 HydrophobicContact CD-CD1 4.3Å |
| 282 | C | 78.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -134.3 | 54.7 | -174.6 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | M278 L305 I341 H344 | M278-C282 WeakPolarHBondContact O-CB 3.16Å; M278-C282 PolarHBondContact O-N 3.04Å; C282-L305 HydrophobicContact CB-CD1 4.45Å; C282-L305 VanDerWaalsContact SG-CD1 3.54Å; C282-I341 HydrophobicContact CB-CG1 4.48Å; C282-H344 PolarHBondContact O-CE1 3.4Å; C282-H344 PolarHBondContact O-NE2 3.45Å |
| 283 | P | 80 | Confident | 78.4 | Confident | 59 Ų | 59 | 50 Ų | 50 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | trans | -65.3 | 149.1 | -178.8 | 25.5 | -32.9 | 0 | 0 | 0 | 112.6 | G285 T286 | P283-G285 PolarHBondContact O-N 2.95Å; P283-T286 HydrophobicContact CG-CG2 3.78Å; P283-T286 WeakPolarHBondContact O-CB 3.42Å; P283-T286 PolarHBondContact O-N 3.38Å; P283-T286 VanDerWaalsContact O-N 3.09Å; P283-T286 PolarHBondContact O-OG1 3.05Å | ||
| 284 | V | 81 | Confident | 78.8 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 127.1 | -177.8 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | T342 L365 | V284-T342 WeakPolarHBondContact CG1-O 3.33Å; V284-L365 HydrophobicContact CG1-CD2 4.32Å |
| 285 | G | 75.2 | Confident | 79 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 107.4 | -23 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P283 R287 R340 I341 E369 | P283-G285 PolarHBondContact O-N 2.95Å; G285-R287 PolarHBondContact O-N 2.85Å; G285-R340 WeakPolarHBondContact O-CG 3.31Å; G285-R340 PolarHBondContact O-NE 3.08Å; G285-I341 PolarHBondContact N-O 3.08Å; G285-E369 VanDerWaalsContact CA-CD 3.45Å; G285-E369 VanDerWaalsContact CA-OE1 3.29Å; G285-E369 WeakPolarHBondContact CA-OE1 3.35Å |
| 286 | T | 83 | Confident | 79.1 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 28% | 0.282 | 29% | 0.287 | S | S | . | . | trans | -58.9 | 135.4 | 178.6 | 41.9 | 0 | 0 | 0 | 0 | 112.6 | P283 F288 R340 I341 | P283-T286 HydrophobicContact CG-CG2 3.78Å; P283-T286 WeakPolarHBondContact O-CB 3.42Å; P283-T286 PolarHBondContact O-N 3.38Å; P283-T286 VanDerWaalsContact O-N 3.09Å; P283-T286 PolarHBondContact O-OG1 3.05Å; T286-F288 WeakPolarHBondContact OG1-CE2 3.38Å; T286-R340 CarbonylContact O-C 3.56Å; T286-R340 VanDerWaalsContact O-CA 3.28Å; T286-R340 WeakPolarHBondContact O-CA 3.35Å; T286-R340 WeakPolarHBondContact O-CG 3.32Å; T286-I341 PolarHBondContact O-N 3.14Å; T286-I341 VanDerWaalsContact OG1-CG1 3.3Å; T286-I341 WeakPolarHBondContact OG1-CG1 3.48Å | ||
| 287 | R | 85.7 | Confident | 79.1 | Confident | 130 Ų | 130 | 50.9 Ų | 50.9 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.7 | 178.5 | -61.2 | 175.7 | -178.9 | 164.7 | -4.5 | 109.3 | G285 C339 R340 L360 L362 | G285-R287 PolarHBondContact O-N 2.85Å; R287-C339 CarbonylContact C-O 3.58Å; R287-C339 WeakPolarHBondContact CA-O 3.26Å; R287-R340 HydrophobicContact CG-CG 4.07Å; R287-L360 PolarHBondContact NE-O 2.91Å; R287-L360 PolarHBondContact NH2-O 2.78Å; R287-L362 PolarHBondContact NH2-O 2.75Å |
| 288 | F | 84.9 | Confident | 78.9 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 11% | 0.114 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 102.6 | 176.9 | -70.3 | -86.5 | 0 | 0 | 0 | 110.5 | T286 S291 L305 P306 T308 T338 C339 I341 | T286-F288 WeakPolarHBondContact OG1-CE2 3.38Å; F288-S291 VanDerWaalsContact CB-OG 3.24Å; F288-S291 WeakPolarHBondContact CB-OG 3.25Å; F288-S291 PolarHBondContact O-OG 2.65Å; F288-S291 VanDerWaalsContact O-OG 3.09Å; F288-L305 HydrophobicContact CB-CD2 4.1Å; F288-L305 HydrophobicContact CD2-CD1 4.43Å; F288-L305 HydrophobicContact CD2-CD2 3.92Å; F288-L305 HydrophobicContact CE2-CD1 4.2Å; F288-L305 HydrophobicContact CG-CD2 3.98Å; F288-L305 HydrophobicContact CZ-CD1 4.5Å; F288-P306 HydrophobicContact CB-CG 4.37Å; F288-P306 HydrophobicContact CD1-CG 4.03Å; F288-T308 HydrophobicContact CE1-CG2 3.65Å; F288-T308 HydrophobicContact CZ-CG2 3.82Å; F288-T338 WeakPolarHBondContact O-CA 3.47Å; F288-C339 PolarHBondContact N-O 3.05Å; F288-C339 PolarHBondContact O-N 3.39Å; F288-C339 VanDerWaalsContact O-N 3.15Å; F288-I341 HydrophobicContact CD2-CD1 4.03Å; F288-I341 HydrophobicContact CD2-CG1 3.99Å; F288-I341 HydrophobicContact CE2-CD1 4.06Å; F288-I341 HydrophobicContact CE2-CG1 3.75Å |
| 289 | S | 80.2 | Confident | 78.5 | Confident | 90 Ų | 90 | 65.3 Ų | 65.3 | 63% | 0.629 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 136.2 | 169.4 | 45.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 290 | G | 80.8 | Confident | 78.6 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.6 | 22.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L337 | G290-L337 PolarHBondContact N-O 3.5Å |
| 291 | S | 83.9 | Confident | 79 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 136.1 | 174.6 | -51.8 | 0 | 0 | 0 | 0 | 110.4 | F288 V303 K336 L337 | F288-S291 VanDerWaalsContact CB-OG 3.24Å; F288-S291 WeakPolarHBondContact CB-OG 3.25Å; F288-S291 PolarHBondContact O-OG 2.65Å; F288-S291 VanDerWaalsContact O-OG 3.09Å; S291-V303 VanDerWaalsContact CB-CG1 3.42Å; S291-K336 CarbonylContact O-C 3.53Å; S291-K336 WeakPolarHBondContact O-CA 3.37Å; S291-L337 PolarHBondContact N-O 2.88Å; S291-L337 PolarHBondContact O-N 3.14Å |
| 292 | L | 85.7 | Confident | 79.4 | Confident | 74 Ų | 74 | 57 Ų | 57 | 39% | 0.387 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.9 | -169.9 | -70.7 | 165.6 | 0 | 0 | 0 | 111.5 | E294 V303 K304 K336 | L292-E294 PolarHBondContact O-N 2.92Å; L292-V303 CarbonylContact O-C 3.5Å; L292-V303 VanDerWaalsContact O-CA 3.3Å; L292-V303 WeakPolarHBondContact O-CA 3.27Å; L292-V303 WeakPolarHBondContact O-CG1 3.44Å; L292-K304 PolarHBondContact N-O 2.86Å; L292-K304 PolarHBondContact O-N 2.97Å; L292-K336 HydrophobicContact CD2-CG 3.7Å |
| 293 | V | 85.3 | Confident | 79.8 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 109.2 | 170.8 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | V296 V301 L331 V333 G334 S335 L337 | V293-V296 HydrophobicContact CG1-CG2 3.71Å; V293-V301 HydrophobicContact CG1-CG1 4.05Å; V293-V301 HydrophobicContact CG2-CG1 4.43Å; V293-L331 HydrophobicContact CG2-CD2 4.44Å; V293-V333 HydrophobicContact CG1-CG2 4.46Å; V293-G334 PolarHBondContact O-N 2.76Å; V293-S335 VanDerWaalsContact CG2-OG 3.28Å; V293-S335 WeakPolarHBondContact CG2-OG 3.4Å; V293-S335 PolarHBondContact N-O 2.95Å; V293-L337 HydrophobicContact CG2-CD2 3.45Å; V293-L337 VanDerWaalsContact CG2-CD2 3.45Å |
| 294 | E | 81.3 | Confident | 80.2 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 35% | 0.346 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -37.2 | 170.7 | -168.3 | -175.6 | 135.5 | 0 | 0 | 110.1 | L292 L302 K312 V333 | L292-E294 PolarHBondContact O-N 2.92Å; E294-L302 HydrophobicContact CB-CG 4.44Å; E294-L302 PolarHBondContact N-O 2.96Å; E294-K312 IonicContact OE1-NZ 2.64Å; E294-K312 PolarHBondContact OE1-NZ 3.45Å; E294-K312 WeakPolarHBondContact OE2-CD 3.49Å; E294-K312 WeakPolarHBondContact OE2-CE 3.43Å; E294-K312 IonicContact OE2-NZ 2.87Å; E294-K312 PolarHBondContact OE2-NZ 3.47Å; E294-V333 WeakPolarHBondContact O-CG1 3.47Å |
| 295 | R | 76.6 | Confident | 80.4 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 144.6 | -174.8 | -162.3 | 161.9 | 168.3 | -111.8 | -7.3 | 114.3 | N297 V301 L302 | R295-N297 PolarHBondContact NH1-ND2 3.26Å; R295-N297 PolarHBondContact NH2-OD1 3.42Å; R295-N297 VanDerWaalsContact NH2-OD1 3.16Å; R295-V301 CarbonylContact O-C 3.55Å; R295-V301 WeakPolarHBondContact O-CA 3.42Å; R295-V301 WeakPolarHBondContact O-CG1 3.48Å; R295-L302 HydrophobicContact CB-CB 4.08Å; R295-L302 PolarHBondContact N-O 2.88Å; R295-L302 VanDerWaalsContact N-O 3.11Å; R295-L302 PolarHBondContact O-N 2.96Å |
| 296 | V | 75.6 | Confident | 80.7 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.1 | 173.9 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | V293 V301 L331 | V293-V296 HydrophobicContact CG1-CG2 3.71Å; V296-V301 HydrophobicContact CG1-CG2 4.35Å; V296-V301 HydrophobicContact CG2-CG1 4.2Å; V296-V301 HydrophobicContact CG2-CG2 4.33Å; V296-L331 HydrophobicContact CG2-CB 4.12Å |
| 297 | N | 70.6 | Confident | 80.2 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 33% | 0.326 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 159.5 | 174.1 | -69.3 | -56 | 0 | 0 | 0 | 110.3 | R295 R299 A300 | R295-N297 PolarHBondContact NH1-ND2 3.26Å; R295-N297 PolarHBondContact NH2-OD1 3.42Å; R295-N297 VanDerWaalsContact NH2-OD1 3.16Å; N297-R299 PolarHBondContact O-N 3.1Å; N297-A300 WeakPolarHBondContact CA-O 3.42Å; N297-A300 WeakPolarHBondContact CB-O 3.43Å; N297-A300 PolarHBondContact N-O 3.06Å; N297-A300 PolarHBondContact O-N 2.71Å; N297-A300 VanDerWaalsContact O-O 3.13Å |
| 298 | K | 68.6 | Low | 79.5 | Confident | 216 Ų | 216 | 61.9 Ų | 61.9 | 94% | 0.939 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -5.6 | 177.4 | -64.9 | -176.2 | 179.8 | 178.2 | 0 | 116 | ||
| 299 | R | 67.9 | Low | 78.8 | Confident | 182 Ų | 182 | 67.2 Ų | 67.2 | 69% | 0.687 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.9 | -11.9 | -179.1 | -60.7 | -176.9 | -174.1 | 174.3 | 3.6 | 114.2 | N297 I317 | N297-R299 PolarHBondContact O-N 3.1Å; R299-I317 PolarHBondContact O-N 3.45Å |
| 300 | A | 76.5 | Confident | 78.4 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 151.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N297 V314 I315 | N297-A300 WeakPolarHBondContact CA-O 3.42Å; N297-A300 WeakPolarHBondContact CB-O 3.43Å; N297-A300 PolarHBondContact N-O 3.06Å; N297-A300 PolarHBondContact O-N 2.71Å; N297-A300 VanDerWaalsContact O-O 3.13Å; A300-V314 HydrophobicContact CB-CG1 4.07Å; A300-I315 CarbonylContact C-O 3.56Å; A300-I315 VanDerWaalsContact CA-O 3.22Å; A300-I315 WeakPolarHBondContact CA-O 3.49Å |
| 301 | V | 82.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.7 | 166.3 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | V293 R295 V296 V303 V314 I315 I317 F328 L331 | V293-V301 HydrophobicContact CG1-CG1 4.05Å; V293-V301 HydrophobicContact CG2-CG1 4.43Å; R295-V301 CarbonylContact O-C 3.55Å; R295-V301 WeakPolarHBondContact O-CA 3.42Å; R295-V301 WeakPolarHBondContact O-CG1 3.48Å; V296-V301 HydrophobicContact CG1-CG2 4.35Å; V296-V301 HydrophobicContact CG2-CG1 4.2Å; V296-V301 HydrophobicContact CG2-CG2 4.33Å; V301-V303 HydrophobicContact CG1-CG2 4.19Å; V301-V314 CarbonylContact O-C 3.53Å; V301-V314 WeakPolarHBondContact O-CA 3.33Å; V301-I315 HydrophobicContact CB-CB 4.29Å; V301-I315 HydrophobicContact CB-CD1 4.36Å; V301-I315 PolarHBondContact N-O 2.98Å; V301-I315 PolarHBondContact O-N 2.79Å; V301-I317 HydrophobicContact CG2-CD1 4.26Å; V301-F328 HydrophobicContact CG2-CD1 3.93Å; V301-L331 HydrophobicContact CG2-CD1 4.15Å |
| 302 | L | 84 | Confident | 78.5 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 17% | 0.173 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 131.6 | 172.1 | -174.7 | 67.8 | 0 | 0 | 0 | 109 | E294 R295 K312 V314 | E294-L302 HydrophobicContact CB-CG 4.44Å; E294-L302 PolarHBondContact N-O 2.96Å; R295-L302 HydrophobicContact CB-CB 4.08Å; R295-L302 PolarHBondContact N-O 2.88Å; R295-L302 VanDerWaalsContact N-O 3.11Å; R295-L302 PolarHBondContact O-N 2.96Å; L302-K312 HydrophobicContact CD1-CB 3.92Å; L302-K312 HydrophobicContact CD1-CD 4.16Å; L302-K312 HydrophobicContact CD2-CD 4.1Å; L302-K312 HydrophobicContact CG-CD 4.3Å; L302-V314 HydrophobicContact CD1-CG2 3.61Å |
| 303 | V | 87.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135 | -173.2 | -156.6 | 0 | 0 | 0 | 0 | 109.4 | S291 L292 V301 K312 A313 I315 L337 | S291-V303 VanDerWaalsContact CB-CG1 3.42Å; L292-V303 CarbonylContact O-C 3.5Å; L292-V303 VanDerWaalsContact O-CA 3.3Å; L292-V303 WeakPolarHBondContact O-CA 3.27Å; L292-V303 WeakPolarHBondContact O-CG1 3.44Å; V301-V303 HydrophobicContact CG1-CG2 4.19Å; V303-K312 CarbonylContact O-C 3.57Å; V303-K312 WeakPolarHBondContact O-CA 3.19Å; V303-A313 PolarHBondContact N-O 2.89Å; V303-A313 PolarHBondContact O-N 2.65Å; V303-I315 HydrophobicContact CG2-CD1 3.57Å; V303-I315 HydrophobicContact CG2-CG1 4.16Å; V303-L337 HydrophobicContact CG1-CD1 4.37Å; V303-L337 HydrophobicContact CG1-CD2 3.69Å; V303-L337 HydrophobicContact CG1-CG 4.12Å; V303-L337 HydrophobicContact CG2-CD2 4.01Å |
| 304 | K | 87.2 | Confident | 78.5 | Confident | 107 Ų | 107 | 65.1 Ų | 65.1 | 47% | 0.465 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 122 | 169.3 | -166.7 | 173.9 | -175.1 | 177.4 | 0 | 108.7 | L292 | L292-K304 PolarHBondContact N-O 2.86Å; L292-K304 PolarHBondContact O-N 2.97Å |
| 305 | L | 85.8 | Confident | 78.7 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 142.8 | -179.6 | -64.6 | 176.4 | 0 | 0 | 0 | 110.4 | C282 F288 T308 L311 A313 I341 | C282-L305 HydrophobicContact CB-CD1 4.45Å; C282-L305 VanDerWaalsContact SG-CD1 3.54Å; F288-L305 HydrophobicContact CB-CD2 4.1Å; F288-L305 HydrophobicContact CD2-CD1 4.43Å; F288-L305 HydrophobicContact CD2-CD2 3.92Å; F288-L305 HydrophobicContact CE2-CD1 4.2Å; F288-L305 HydrophobicContact CG-CD2 3.98Å; F288-L305 HydrophobicContact CZ-CD1 4.5Å; L305-T308 HydrophobicContact CB-CG2 4.25Å; L305-T308 VanDerWaalsContact CB-OG1 3.29Å; L305-T308 WeakPolarHBondContact CB-OG1 3.08Å; L305-T308 PolarHBondContact O-OG1 2.98Å; L305-L311 PolarHBondContact N-O 3.15Å; L305-L311 VanDerWaalsContact N-O 3.14Å; L305-A313 HydrophobicContact CD1-CB 4.11Å; L305-A313 HydrophobicContact CD2-CB 3.89Å; L305-A313 HydrophobicContact CG-CB 3.99Å; L305-I341 HydrophobicContact CD1-CD1 3.97Å; L305-I341 HydrophobicContact CD2-CD1 4.26Å |
| 306 | P | 80.7 | Confident | 78.7 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 29% | 0.286 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 145.8 | 177 | 32.2 | -31.5 | 0 | 0 | 0 | 111.1 | F288 T308 | F288-P306 HydrophobicContact CB-CG 4.37Å; F288-P306 HydrophobicContact CD1-CG 4.03Å; P306-T308 VanDerWaalsContact C-N 3.32Å; P306-T308 PolarHBondContact O-N 2.97Å |
| 307 | K | 73.6 | Confident | 78.4 | Confident | 215 Ų | 215 | 61.9 Ų | 61.9 | 94% | 0.935 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 17.5 | 178.1 | -52.9 | -177.4 | 174.8 | -175.8 | 0 | 116.5 | ||
| 308 | T | 69.5 | Low | 78 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -122.6 | 33.5 | -171.8 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | F288 L305 P306 G310 L311 | F288-T308 HydrophobicContact CE1-CG2 3.65Å; F288-T308 HydrophobicContact CZ-CG2 3.82Å; L305-T308 HydrophobicContact CB-CG2 4.25Å; L305-T308 VanDerWaalsContact CB-OG1 3.29Å; L305-T308 WeakPolarHBondContact CB-OG1 3.08Å; L305-T308 PolarHBondContact O-OG1 2.98Å; P306-T308 VanDerWaalsContact C-N 3.32Å; P306-T308 PolarHBondContact O-N 2.97Å; T308-G310 PolarHBondContact O-N 3.24Å; T308-L311 WeakPolarHBondContact O-CB 3.28Å; T308-L311 WeakPolarHBondContact O-CG 3.27Å; T308-L311 PolarHBondContact O-N 3.45Å |
| 309 | N | 71.6 | Confident | 77.3 | Confident | 137 Ų | 137 | 60.7 Ų | 60.7 | 73% | 0.733 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 18.5 | -178.9 | -66.1 | 10.9 | 0 | 0 | 0 | 115.9 | K281 | K281-N309 PolarHBondContact NZ-ND2 2.92Å; K281-N309 VanDerWaalsContact NZ-ND2 3.15Å |
| 310 | G | 72 | Confident | 76.2 | Confident | 27 Ų | 27 | 56 Ų | 56 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | 6.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | T308 K312 | T308-G310 PolarHBondContact O-N 3.24Å; G310-K312 PolarHBondContact O-N 2.82Å |
| 311 | L | 79.9 | Confident | 74.6 | Confident | 32 Ų | 32 | 58.9 Ų | 58.9 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | trans | -50.3 | 138.7 | 167.4 | -73.6 | 172.3 | 0 | 0 | 0 | 111 | M278 K281 L305 T308 | M278-L311 HydrophobicContact CB-CD2 4.45Å; K281-L311 HydrophobicContact CB-CD1 3.95Å; K281-L311 HydrophobicContact CD-CD1 4.3Å; L305-L311 PolarHBondContact N-O 3.15Å; L305-L311 VanDerWaalsContact N-O 3.14Å; T308-L311 WeakPolarHBondContact O-CB 3.28Å; T308-L311 WeakPolarHBondContact O-CG 3.27Å; T308-L311 PolarHBondContact O-N 3.45Å | ||
| 312 | K | 85.8 | Confident | 72.7 | Confident | 74 Ų | 74 | 63.2 Ų | 63.2 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 156.7 | -175.5 | -53.3 | -168 | -176.2 | -166.2 | 0 | 111.1 | E294 L302 V303 G310 V350 A351 | E294-K312 IonicContact OE1-NZ 2.64Å; E294-K312 PolarHBondContact OE1-NZ 3.45Å; E294-K312 WeakPolarHBondContact OE2-CD 3.49Å; E294-K312 WeakPolarHBondContact OE2-CE 3.43Å; E294-K312 IonicContact OE2-NZ 2.87Å; E294-K312 PolarHBondContact OE2-NZ 3.47Å; L302-K312 HydrophobicContact CD1-CB 3.92Å; L302-K312 HydrophobicContact CD1-CD 4.16Å; L302-K312 HydrophobicContact CD2-CD 4.1Å; L302-K312 HydrophobicContact CG-CD 4.3Å; V303-K312 CarbonylContact O-C 3.57Å; V303-K312 WeakPolarHBondContact O-CA 3.19Å; G310-K312 PolarHBondContact O-N 2.82Å; K312-V350 HydrophobicContact CB-CG1 4.39Å; K312-V350 WeakPolarHBondContact O-CG1 3.34Å; K312-A351 PolarHBondContact O-N 3.21Å; K312-A351 VanDerWaalsContact O-N 3.11Å |
| 313 | A | 85.4 | Confident | 70.8 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V303 L305 I341 A351 A353 | V303-A313 PolarHBondContact N-O 2.89Å; V303-A313 PolarHBondContact O-N 2.65Å; L305-A313 HydrophobicContact CD1-CB 4.11Å; L305-A313 HydrophobicContact CD2-CB 3.89Å; L305-A313 HydrophobicContact CG-CB 3.99Å; A313-I341 HydrophobicContact CB-CD1 4.45Å; A313-A351 CarbonylContact C-O 3.59Å; A313-A351 WeakPolarHBondContact CA-O 3.39Å; A313-A351 HydrophobicContact CB-CB 4.27Å; A313-A353 HydrophobicContact CB-CB 3.92Å |
| 314 | V | 85.9 | Confident | 68.6 | Low | 20 Ų | 20 | 77 Ų | 77 | 12% | 0.121 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.9 | 175.8 | 160.8 | 0 | 0 | 0 | 0 | 110.3 | A300 V301 L302 R316 V350 A351 V352 A353 | A300-V314 HydrophobicContact CB-CG1 4.07Å; V301-V314 CarbonylContact O-C 3.53Å; V301-V314 WeakPolarHBondContact O-CA 3.33Å; L302-V314 HydrophobicContact CD1-CG2 3.61Å; V314-R316 HydrophobicContact CG1-CG 3.7Å; V314-V350 HydrophobicContact CB-CG1 4.1Å; V314-V350 HydrophobicContact CG2-CG1 3.74Å; V314-A351 PolarHBondContact N-O 3.33Å; V314-V352 WeakPolarHBondContact O-CA 3.4Å; V314-A353 PolarHBondContact O-N 3.27Å |
| 315 | I | 84.8 | Confident | 66.5 | Low | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 106.4 | 169.1 | -57 | 155.5 | 0 | 0 | 0 | 107.5 | A300 V301 V303 F328 L337 A353 T355 | A300-I315 CarbonylContact C-O 3.56Å; A300-I315 VanDerWaalsContact CA-O 3.22Å; A300-I315 WeakPolarHBondContact CA-O 3.49Å; V301-I315 HydrophobicContact CB-CB 4.29Å; V301-I315 HydrophobicContact CB-CD1 4.36Å; V301-I315 PolarHBondContact N-O 2.98Å; V301-I315 PolarHBondContact O-N 2.79Å; V303-I315 HydrophobicContact CG2-CD1 3.57Å; V303-I315 HydrophobicContact CG2-CG1 4.16Å; I315-F328 HydrophobicContact CG2-CE1 4Å; I315-F328 HydrophobicContact CG2-CZ 4.34Å; I315-L337 HydrophobicContact CD1-CD1 4.02Å; I315-L337 HydrophobicContact CD1-CD2 4.47Å; I315-A353 WeakPolarHBondContact CA-O 3.45Å; I315-A353 HydrophobicContact CG1-CB 4.12Å; I315-T355 HydrophobicContact CD1-CG2 3.79Å |
| 316 | R | 76.9 | Confident | 64.8 | Low | 76 Ų | 76 | 78.4 Ų | 78.4 | 29% | 0.287 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 123.8 | -179.3 | -62 | -175.5 | 166.6 | 144.6 | -0.3 | 109.8 | V314 P318 D345 E348 | V314-R316 HydrophobicContact CG1-CG 3.7Å; R316-P318 WeakPolarHBondContact O-CD 3.4Å; R316-D345 IonicContact CZ-OD2 2.69Å; R316-D345 IonicContact NH1-OD2 3.2Å; R316-D345 PolarHBondContact NH1-OD2 3.47Å; R316-D345 IonicContact NH2-OD2 2.85Å; R316-D345 PolarHBondContact NH2-OD2 3.19Å; R316-E348 IonicContact NH2-OE2 3.87Å |
| 317 | I | 70.6 | Confident | 63.4 | Low | 38 Ų | 38 | 82.1 Ų | 82.1 | 20% | 0.195 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 116.8 | -177.5 | -56.5 | 172.6 | 0 | 0 | 0 | 108.8 | R299 V301 F328 | R299-I317 PolarHBondContact O-N 3.45Å; V301-I317 HydrophobicContact CG2-CD1 4.26Å; I317-F328 HydrophobicContact CD1-CB 3.94Å; I317-F328 HydrophobicContact CD1-CD1 4.29Å; I317-F328 HydrophobicContact CD1-CG 4.01Å; I317-F328 HydrophobicContact CG1-CD1 4.31Å; I317-F328 HydrophobicContact CG1-CD2 4.39Å; I317-F328 HydrophobicContact CG1-CG 4.2Å; I317-F328 HydrophobicContact CG2-CD2 4.31Å |
| 318 | P | 60.4 | Low | 62.7 | Low | 64 Ų | 64 | 73.6 Ų | 73.6 | 42% | 0.416 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 139.8 | -179.2 | 28.6 | -34.2 | 0 | 0 | 0 | 111.7 | R316 T320 | R316-P318 WeakPolarHBondContact O-CD 3.4Å; P318-T320 PolarHBondContact O-N 2.69Å |
| 319 | K | 53.9 | Low | 62 | Low | 189 Ų | 189 | 83.2 Ų | 83.2 | 82% | 0.822 | 44% | 0.44 | S | S | * | . | trans | -72.3 | -11.6 | 177.1 | -75.6 | -173.4 | 174.9 | -176.5 | 0 | 114.3 | ||||
| 320 | T | 45.8 | Very low | 61.5 | Low | 82 Ų | 82 | 81 Ų | 81 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -84.6 | 133.6 | -170.1 | 40 | 0 | 0 | 0 | 0 | 112.3 | P318 T322 | P318-T320 PolarHBondContact O-N 2.69Å; T320-T322 PolarHBondContact O-N 3.36Å |
| 321 | G | 42.5 | Very low | 61.2 | Low | 84 Ų | 84 | 82 Ų | 82 | 87% | 0.866 | 43% | 0.434 | S | S | * | . | trans | -74.1 | 33.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 322 | T | 41.9 | Very low | 60.9 | Low | 90 Ų | 90 | 85.5 Ų | 85.5 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | trans | -71.1 | 127.9 | 175.2 | 45.3 | 0 | 0 | 0 | 0 | 110.8 | T320 N324 | T320-T322 PolarHBondContact O-N 3.36Å; T322-N324 PolarHBondContact O-N 3Å | ||
| 323 | K | 44.7 | Very low | 60.6 | Low | 197 Ų | 197 | 86.5 Ų | 86.5 | 86% | 0.857 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 8.3 | -164.9 | -60 | 173.1 | -176.4 | 164.8 | 0 | 117.1 | ||
| 324 | N | 42.3 | Very low | 60.3 | Low | 125 Ų | 125 | 88.8 Ų | 88.8 | 67% | 0.668 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 12.6 | -170.2 | -67.6 | 10.6 | 0 | 0 | 0 | 113.8 | T322 E326 | T322-N324 PolarHBondContact O-N 3Å; N324-E326 PolarHBondContact O-N 3.16Å |
| 325 | N | 43 | Very low | 60.2 | Low | 71 Ų | 71 | 89.6 Ų | 89.6 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | trans | -73.5 | 122.3 | 174.7 | -68.5 | -10.6 | 0 | 0 | 0 | 109.7 | ||||
| 326 | E | 49.8 | Very low | 60.2 | Low | 72 Ų | 72 | 97.3 Ų | 97.3 | 34% | 0.336 | 53% | 0.532 | S | S | . | . | trans | -57.3 | 150.3 | 163.8 | -59.5 | 179.1 | 128.2 | 0 | 0 | 109.4 | N324 F328 T355 K357 | N324-E326 PolarHBondContact O-N 3.16Å; E326-F328 VanDerWaalsContact C-N 3.29Å; E326-F328 WeakPolarHBondContact O-CD2 3.3Å; E326-F328 PolarHBondContact O-N 3.01Å; E326-T355 WeakPolarHBondContact OE2-CB 3.48Å; E326-T355 PolarHBondContact OE2-OG1 3.3Å; E326-K357 WeakPolarHBondContact OE1-CE 3.4Å; E326-K357 WeakPolarHBondContact OE1-CG 3.44Å | ||
| 327 | N | 50.4 | Low | 60.5 | Low | 123 Ų | 123 | 94.4 Ų | 94.4 | 66% | 0.658 | 52% | 0.522 | S | S | * | . | trans | -72.2 | 80.9 | -175.6 | -85.3 | -32.2 | 0 | 0 | 0 | 111.5 | K329 S330 | N327-K329 PolarHBondContact O-N 3.49Å; N327-S330 PolarHBondContact O-N 3.13Å; N327-S330 PolarHBondContact O-OG 2.94Å | ||
| 328 | F | 59.5 | Low | 61.2 | Low | 35 Ų | 35 | 96 Ų | 96 | 15% | 0.154 | 53% | 0.533 | C | S | . | . | G | 310 helix | trans | -56 | -15.6 | 170.9 | -65.3 | -81.1 | 0 | 0 | 0 | 113.2 | V301 I315 I317 E326 S330 L331 | V301-F328 HydrophobicContact CG2-CD1 3.93Å; I315-F328 HydrophobicContact CG2-CE1 4Å; I315-F328 HydrophobicContact CG2-CZ 4.34Å; I317-F328 HydrophobicContact CD1-CB 3.94Å; I317-F328 HydrophobicContact CD1-CD1 4.29Å; I317-F328 HydrophobicContact CD1-CG 4.01Å; I317-F328 HydrophobicContact CG1-CD1 4.31Å; I317-F328 HydrophobicContact CG1-CD2 4.39Å; I317-F328 HydrophobicContact CG1-CG 4.2Å; I317-F328 HydrophobicContact CG2-CD2 4.31Å; E326-F328 VanDerWaalsContact C-N 3.29Å; E326-F328 WeakPolarHBondContact O-CD2 3.3Å; E326-F328 PolarHBondContact O-N 3.01Å; F328-S330 VanDerWaalsContact C-N 3.3Å; F328-S330 PolarHBondContact O-N 2.86Å; F328-L331 HydrophobicContact CD1-CD1 3.68Å; F328-L331 HydrophobicContact CE1-CD1 4.38Å |
| 329 | K | 55 | Low | 62.5 | Low | 208 Ų | 208 | 92.9 Ų | 92.9 | 90% | 0.904 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -67.3 | -19.6 | 170.1 | -72 | -171.6 | 175.1 | -174.2 | 0 | 114.7 | N327 | N327-K329 PolarHBondContact O-N 3.49Š|
| 330 | S | 60.2 | Low | 64 | Low | 89 Ų | 89 | 83.9 Ų | 83.9 | 62% | 0.622 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -107.8 | 11.9 | -179.3 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | N327 F328 V332 | N327-S330 PolarHBondContact O-N 3.13Å; N327-S330 PolarHBondContact O-OG 2.94Å; F328-S330 VanDerWaalsContact C-N 3.3Å; F328-S330 PolarHBondContact O-N 2.86Å; S330-V332 PolarHBondContact O-N 3.49Å |
| 331 | L | 66 | Low | 66 | Low | 49 Ų | 49 | 80 Ų | 80 | 26% | 0.257 | 45% | 0.45 | S | S | . | . | trans | -81.8 | 110.4 | 171.4 | -73.4 | 170.2 | 0 | 0 | 0 | 109.6 | V293 V296 V301 F328 | V293-L331 HydrophobicContact CG2-CD2 4.44Å; V296-L331 HydrophobicContact CG2-CB 4.12Å; V301-L331 HydrophobicContact CG2-CD1 4.15Å; F328-L331 HydrophobicContact CD1-CD1 3.68Å; F328-L331 HydrophobicContact CE1-CD1 4.38Å | ||
| 332 | V | 73.9 | Confident | 67.9 | Low | 106 Ų | 106 | 78 Ų | 78 | 64% | 0.642 | 42% | 0.421 | S | S | * | . | trans | -83.4 | 143.8 | 174.7 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | S330 G334 S335 | S330-V332 PolarHBondContact O-N 3.49Å; V332-G334 PolarHBondContact O-N 3.41Å; V332-S335 VanDerWaalsContact O-CB 3.25Å; V332-S335 WeakPolarHBondContact O-CB 3.48Å; V332-S335 PolarHBondContact O-N 3.26Å; V332-S335 VanDerWaalsContact O-N 3.07Å; V332-S335 PolarHBondContact O-OG 3.38Å | ||
| 333 | V | 79.9 | Confident | 69.8 | Low | 94 Ų | 94 | 76.3 Ų | 76.3 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 136.7 | 171.3 | 175.8 | 0 | 0 | 0 | 0 | 109.3 | V293 E294 S335 | V293-V333 HydrophobicContact CG1-CG2 4.46Å; E294-V333 WeakPolarHBondContact O-CG1 3.47Å; V333-S335 VanDerWaalsContact C-N 3.33Å |
| 334 | G | 78.7 | Confident | 71.7 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 51% | 0.505 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -10.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V293 V332 | V293-G334 PolarHBondContact O-N 2.76Å; V332-G334 PolarHBondContact O-N 3.41Å |
| 335 | S | 83.6 | Confident | 73.7 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | trans | -66 | 145.3 | 174.8 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | V293 V332 V333 | V293-S335 VanDerWaalsContact CG2-OG 3.28Å; V293-S335 WeakPolarHBondContact CG2-OG 3.4Å; V293-S335 PolarHBondContact N-O 2.95Å; V332-S335 VanDerWaalsContact O-CB 3.25Å; V332-S335 WeakPolarHBondContact O-CB 3.48Å; V332-S335 PolarHBondContact O-N 3.26Å; V332-S335 VanDerWaalsContact O-N 3.07Å; V332-S335 PolarHBondContact O-OG 3.38Å; V333-S335 VanDerWaalsContact C-N 3.33Å | ||
| 336 | K | 84.8 | Confident | 75.7 | Confident | 166 Ų | 166 | 58.6 Ų | 58.6 | 72% | 0.722 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128.7 | 176.9 | -74.4 | 177.7 | -177.9 | 173.9 | 0 | 110 | S291 L292 | S291-K336 CarbonylContact O-C 3.53Å; S291-K336 WeakPolarHBondContact O-CA 3.37Å; L292-K336 HydrophobicContact CD2-CG 3.7Å |
| 337 | L | 84.4 | Confident | 77.3 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 156.2 | 178.2 | 71.9 | 102.1 | 0 | 0 | 0 | 111.9 | G290 S291 V293 V303 I315 C339 T355 | G290-L337 PolarHBondContact N-O 3.5Å; S291-L337 PolarHBondContact N-O 2.88Å; S291-L337 PolarHBondContact O-N 3.14Å; V293-L337 HydrophobicContact CG2-CD2 3.45Å; V293-L337 VanDerWaalsContact CG2-CD2 3.45Å; V303-L337 HydrophobicContact CG1-CD1 4.37Å; V303-L337 HydrophobicContact CG1-CD2 3.69Å; V303-L337 HydrophobicContact CG1-CG 4.12Å; V303-L337 HydrophobicContact CG2-CD2 4.01Å; I315-L337 HydrophobicContact CD1-CD1 4.02Å; I315-L337 HydrophobicContact CD1-CD2 4.47Å; L337-C339 HydrophobicContact CD1-CB 3.54Å; L337-T355 HydrophobicContact CD1-CG2 3.78Å |
| 338 | T | 85.1 | Confident | 78.7 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.5 | 169.8 | -60.4 | 0 | 0 | 0 | 0 | 108.7 | F288 L360 | F288-T338 WeakPolarHBondContact O-CA 3.47Å; T338-L360 HydrophobicContact CG2-CD2 4.36Å |
| 339 | C | 87 | Confident | 79.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 159.4 | 177.5 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | R287 F288 L337 A353 T354 T355 | R287-C339 CarbonylContact C-O 3.58Å; R287-C339 WeakPolarHBondContact CA-O 3.26Å; F288-C339 PolarHBondContact N-O 3.05Å; F288-C339 PolarHBondContact O-N 3.39Å; F288-C339 VanDerWaalsContact O-N 3.15Å; L337-C339 HydrophobicContact CD1-CB 3.54Å; C339-A353 HydrophobicContact CB-CB 4.21Å; C339-T354 CarbonylContact C-O 3.54Å; C339-T354 WeakPolarHBondContact CA-O 3.45Å; C339-T354 WeakPolarHBondContact CB-O 3.23Å; C339-T355 HydrophobicContact CB-CG2 4.48Å |
| 340 | R | 86.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137.7 | 170.8 | -164.2 | -179.8 | -161.3 | 156.5 | 6.1 | 109.9 | G285 T286 R287 A353 T354 L359 L360 L362 P363 E369 | G285-R340 WeakPolarHBondContact O-CG 3.31Å; G285-R340 PolarHBondContact O-NE 3.08Å; T286-R340 CarbonylContact O-C 3.56Å; T286-R340 VanDerWaalsContact O-CA 3.28Å; T286-R340 WeakPolarHBondContact O-CA 3.35Å; T286-R340 WeakPolarHBondContact O-CG 3.32Å; R287-R340 HydrophobicContact CG-CG 4.07Å; R340-A353 CarbonylContact O-C 3.59Å; R340-A353 VanDerWaalsContact O-CA 3.24Å; R340-A353 WeakPolarHBondContact O-CA 3.45Å; R340-A353 WeakPolarHBondContact O-CB 3.27Å; R340-T354 HydrophobicContact CB-CG2 4.36Å; R340-T354 PolarHBondContact N-O 2.96Å; R340-T354 PolarHBondContact O-N 3.03Å; R340-L359 WeakPolarHBondContact CD-O 3.37Å; R340-L359 PolarHBondContact NH1-O 3.31Å; R340-L360 HydrophobicContact CB-CD2 4.03Å; R340-L362 PolarHBondContact NH1-O 3.07Å; R340-P363 PolarHBondContact NH2-O 3.08Å; R340-E369 IonicContact CZ-OE2 2.66Å; R340-E369 IonicContact NE-OE2 3.6Å; R340-E369 IonicContact NH2-OE1 3.36Å; R340-E369 IonicContact NH2-OE2 3.92Å; R340-E369 PolarHBondContact NH2-OE2 3.44Å |
| 341 | I | 87.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 135.4 | 171.3 | -50.6 | -54 | 0 | 0 | 0 | 109 | C282 G285 T286 F288 L305 A313 A351 A353 | C282-I341 HydrophobicContact CB-CG1 4.48Å; G285-I341 PolarHBondContact N-O 3.08Å; T286-I341 PolarHBondContact O-N 3.14Å; T286-I341 VanDerWaalsContact OG1-CG1 3.3Å; T286-I341 WeakPolarHBondContact OG1-CG1 3.48Å; F288-I341 HydrophobicContact CD2-CD1 4.03Å; F288-I341 HydrophobicContact CD2-CG1 3.99Å; F288-I341 HydrophobicContact CE2-CD1 4.06Å; F288-I341 HydrophobicContact CE2-CG1 3.75Å; L305-I341 HydrophobicContact CD1-CD1 3.97Å; L305-I341 HydrophobicContact CD2-CD1 4.26Å; A313-I341 HydrophobicContact CB-CD1 4.45Å; I341-A351 HydrophobicContact CD1-CB 4.19Å; I341-A351 HydrophobicContact CG2-CB 4.36Å; I341-A353 HydrophobicContact CD1-CB 4.18Å |
| 342 | T | 82.2 | Confident | 83.4 | Confident | 42 Ų | 42 | 36.7 Ų | 36.7 | 26% | 0.258 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | -27.6 | -172.4 | 56.1 | 0 | 0 | 0 | 0 | 114.2 | V284 V352 T354 L365 | V284-T342 WeakPolarHBondContact CG1-O 3.33Å; T342-V352 PolarHBondContact N-O 3.38Å; T342-V352 PolarHBondContact OG1-O 3.39Å; T342-T354 HydrophobicContact CG2-CG2 3.49Å; T342-T354 VanDerWaalsContact CG2-CG2 3.49Å; T342-L365 HydrophobicContact CG2-CD2 3.9Å |
| 343 | D | 81.4 | Confident | 84 | Confident | 54 Ų | 54 | 31.9 Ų | 31.9 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 178.8 | 179.9 | -169.9 | 13.4 | 0 | 0 | 0 | 108.3 | K12 V352 | K12-D343 VanDerWaalsContact CE-OD1 3.24Å; K12-D343 WeakPolarHBondContact CE-OD1 3.44Å; K12-D343 IonicContact NZ-OD1 3.53Å; K12-D343 PolarHBondContact NZ-OD1 2.72Å; K12-D343 IonicContact NZ-OD2 3.5Å; K12-D343 PolarHBondContact NZ-OD2 3.05Å; D343-V352 HydrophobicContact CB-CB 4Å; D343-V352 HydrophobicContact CB-CG2 4.32Å; D343-V352 PolarHBondContact N-O 3.19Å; D343-V352 WeakPolarHBondContact O-CA 3.48Å; D343-V352 WeakPolarHBondContact O-CB 3.29Å; D343-V352 PolarHBondContact O-N 3.44Å |
| 344 | H | 84.1 | Confident | 84.2 | Confident | 9 Ų | 9 | 28.5 Ų | 28.5 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 153.5 | 173.3 | -62.1 | 99.1 | 0 | 0 | 0 | 111.8 | K12 Q22 M278 C282 F346 | K12-H344 PolarHBondContact NZ-O 3.26Å; Q22-H344 PolarHBondContact NE2-O 3.36Å; Q22-H344 PolarHBondContact OE1-O 2.91Å; M278-H344 HydrophobicContact CE-CB 4.06Å; C282-H344 PolarHBondContact O-CE1 3.4Å; C282-H344 PolarHBondContact O-NE2 3.45Å; H344-F346 HydrophobicContact CB-CD1 4.22Å; H344-F346 HydrophobicContact CB-CE1 3.7Å; H344-F346 HydrophobicContact CB-CZ 4.21Å |
| 345 | D | 85.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 100.6 | 170.3 | -154.9 | -56.6 | 0 | 0 | 0 | 110.4 | Q22 G26 R316 L347 E348 N349 V350 V352 | Q22-D345 PolarHBondContact NE2-OD1 3.09Å; Q22-D345 PolarHBondContact NE2-OD2 3.16Å; G26-D345 WeakPolarHBondContact CA-OD2 3.42Å; R316-D345 IonicContact CZ-OD2 2.69Å; R316-D345 IonicContact NH1-OD2 3.2Å; R316-D345 PolarHBondContact NH1-OD2 3.47Å; R316-D345 IonicContact NH2-OD2 2.85Å; R316-D345 PolarHBondContact NH2-OD2 3.19Å; D345-L347 PolarHBondContact OD1-N 3.33Å; D345-E348 HydrophobicContact CB-CB 4.44Å; D345-E348 PolarHBondContact OD1-N 2.83Å; D345-E348 VanDerWaalsContact OD1-N 3.12Å; D345-N349 CarbonylContact O-C 3.6Å; D345-N349 WeakPolarHBondContact O-CA 3.42Å; D345-N349 PolarHBondContact O-N 3.16Å; D345-V350 WeakPolarHBondContact CB-O 3.47Å; D345-V350 PolarHBondContact N-O 3.47Å; D345-V350 PolarHBondContact O-N 3.23Å; D345-V352 HydrophobicContact CB-CG2 4.39Å |
| 346 | F | 84.4 | Confident | 84.1 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 5% | 0.048 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -23.6 | -176.3 | -57.3 | -42.1 | 0 | 0 | 0 | 113.5 | V10 K12 V66 L273 I275 M278 L279 H344 | V10-F346 HydrophobicContact CB-CB 4.38Å; V10-F346 HydrophobicContact CG1-CB 3.81Å; K12-F346 HydrophobicContact CB-CD2 4.29Å; K12-F346 HydrophobicContact CB-CE2 4.27Å; K12-F346 HydrophobicContact CG-CD2 3.97Å; K12-F346 HydrophobicContact CG-CE2 3.66Å; V66-F346 HydrophobicContact CG1-CE2 4.24Å; L273-F346 WeakPolarHBondContact CD1-O 3.32Å; I275-F346 HydrophobicContact CB-CD1 4.02Å; I275-F346 HydrophobicContact CB-CE1 4.2Å; I275-F346 HydrophobicContact CD1-CD1 4.32Å; I275-F346 HydrophobicContact CD1-CE1 4.14Å; I275-F346 HydrophobicContact CD1-CE2 4.41Å; I275-F346 HydrophobicContact CD1-CZ 4.19Å; I275-F346 HydrophobicContact CG2-CB 4.06Å; I275-F346 HydrophobicContact CG2-CD1 3.57Å; I275-F346 HydrophobicContact CG2-CE1 4.25Å; I275-F346 HydrophobicContact CG2-CG 3.95Å; M278-F346 HydrophobicContact CE-CD1 3.66Å; M278-F346 HydrophobicContact CE-CE1 3.99Å; L279-F346 HydrophobicContact CD2-CE1 3.97Å; L279-F346 HydrophobicContact CD2-CZ 4.1Å; L279-F346 HydrophobicContact CG-CE1 4.33Å; H344-F346 HydrophobicContact CB-CD1 4.22Å; H344-F346 HydrophobicContact CB-CE1 3.7Å; H344-F346 HydrophobicContact CB-CZ 4.21Å |
| 347 | L | 83.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -44.1 | 179.3 | -179.2 | 72.1 | 0 | 0 | 0 | 111.3 | V10 Q22 P24 H264 L265 D345 N349 | V10-L347 HydrophobicContact CG2-CB 3.97Å; V10-L347 HydrophobicContact CG2-CD1 3.76Å; V10-L347 HydrophobicContact CG2-CG 4.46Å; Q22-L347 HydrophobicContact CG-CB 4.37Å; P24-L347 HydrophobicContact CB-CD2 4.24Å; P24-L347 HydrophobicContact CG-CD2 3.75Å; H264-L347 PolarHBondContact NE2-O 3.23Å; L265-L347 HydrophobicContact CD1-CD1 3.98Å; L265-L347 HydrophobicContact CD2-CD1 4.15Å; D345-L347 PolarHBondContact OD1-N 3.33Å; L347-N349 VanDerWaalsContact C-N 3.28Å |
| 348 | E | 80.4 | Confident | 83.3 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 8% | 0.079 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -15.7 | 172.8 | -63.9 | -174.6 | 159.2 | 0 | 0 | 112 | T228 H229 R316 D345 V350 | T228-E348 WeakPolarHBondContact CB-OE1 3.39Å; T228-E348 PolarHBondContact OG1-OE1 3.43Å; H229-E348 IonicContact NE2-OE1 2.6Å; R316-E348 IonicContact NH2-OE2 3.87Å; D345-E348 HydrophobicContact CB-CB 4.44Å; D345-E348 PolarHBondContact OD1-N 2.83Å; D345-E348 VanDerWaalsContact OD1-N 3.12Å; E348-V350 HydrophobicContact CB-CG2 4.45Å |
| 349 | N | 81.8 | Confident | 82.9 | Confident | 61 Ų | 61 | 32.7 Ų | 32.7 | 33% | 0.326 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 52.3 | -173.5 | -163.9 | 12.5 | 0 | 0 | 0 | 113.5 | D345 L347 | D345-N349 CarbonylContact O-C 3.6Å; D345-N349 WeakPolarHBondContact O-CA 3.42Å; D345-N349 PolarHBondContact O-N 3.16Å; L347-N349 VanDerWaalsContact C-N 3.28Å |
| 350 | V | 85 | Confident | 82.5 | Confident | 23 Ų | 23 | 34.5 Ų | 34.5 | 14% | 0.139 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 139.8 | -173.3 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | M278 K312 V314 D345 E348 | M278-V350 VanDerWaalsContact SD-C 3.55Å; K312-V350 HydrophobicContact CB-CG1 4.39Å; K312-V350 WeakPolarHBondContact O-CG1 3.34Å; V314-V350 HydrophobicContact CB-CG1 4.1Å; V314-V350 HydrophobicContact CG2-CG1 3.74Å; D345-V350 WeakPolarHBondContact CB-O 3.47Å; D345-V350 PolarHBondContact N-O 3.47Å; D345-V350 PolarHBondContact O-N 3.23Å; E348-V350 HydrophobicContact CB-CG2 4.45Å |
| 351 | A | 85.6 | Confident | 82 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 149.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M278 K312 A313 V314 I341 | M278-A351 HydrophobicContact SD-CB 4.44Å; K312-A351 PolarHBondContact O-N 3.21Å; K312-A351 VanDerWaalsContact O-N 3.11Å; A313-A351 CarbonylContact C-O 3.59Å; A313-A351 WeakPolarHBondContact CA-O 3.39Å; A313-A351 HydrophobicContact CB-CB 4.27Å; V314-A351 PolarHBondContact N-O 3.33Å; I341-A351 HydrophobicContact CD1-CB 4.19Å; I341-A351 HydrophobicContact CG2-CB 4.36Å |
| 352 | V | 85.3 | Confident | 81.4 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 9% | 0.085 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.3 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | V314 T342 D343 D345 | V314-V352 WeakPolarHBondContact O-CA 3.4Å; T342-V352 PolarHBondContact N-O 3.38Å; T342-V352 PolarHBondContact OG1-O 3.39Å; D343-V352 HydrophobicContact CB-CB 4Å; D343-V352 HydrophobicContact CB-CG2 4.32Å; D343-V352 PolarHBondContact N-O 3.19Å; D343-V352 WeakPolarHBondContact O-CA 3.48Å; D343-V352 WeakPolarHBondContact O-CB 3.29Å; D343-V352 PolarHBondContact O-N 3.44Å; D345-V352 HydrophobicContact CB-CG2 4.39Å |
| 353 | A | 87 | Confident | 81.1 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 166.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A313 V314 I315 C339 R340 I341 | A313-A353 HydrophobicContact CB-CB 3.92Å; V314-A353 PolarHBondContact O-N 3.27Å; I315-A353 WeakPolarHBondContact CA-O 3.45Å; I315-A353 HydrophobicContact CG1-CB 4.12Å; C339-A353 HydrophobicContact CB-CB 4.21Å; R340-A353 CarbonylContact O-C 3.59Å; R340-A353 VanDerWaalsContact O-CA 3.24Å; R340-A353 WeakPolarHBondContact O-CA 3.45Å; R340-A353 WeakPolarHBondContact O-CB 3.27Å; I341-A353 HydrophobicContact CD1-CB 4.18Å |
| 354 | T | 83.4 | Confident | 80.9 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 148 | 176.9 | -163.5 | 0 | 0 | 0 | 0 | 112.8 | C339 R340 T342 N356 L359 | C339-T354 CarbonylContact C-O 3.54Å; C339-T354 WeakPolarHBondContact CA-O 3.45Å; C339-T354 WeakPolarHBondContact CB-O 3.23Å; R340-T354 HydrophobicContact CB-CG2 4.36Å; R340-T354 PolarHBondContact N-O 2.96Å; R340-T354 PolarHBondContact O-N 3.03Å; T342-T354 HydrophobicContact CG2-CG2 3.49Å; T342-T354 VanDerWaalsContact CG2-CG2 3.49Å; T354-N356 PolarHBondContact OG1-N 2.9Å; T354-L359 HydrophobicContact CG2-CB 3.78Å; T354-L359 HydrophobicContact CG2-CD1 3.83Å; T354-L359 HydrophobicContact CG2-CG 4.45Å |
| 355 | T | 82.1 | Confident | 80.4 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | trans | -103.3 | -4.8 | 168.4 | 64 | 0 | 0 | 0 | 0 | 113 | I315 E326 L337 C339 K357 L360 | I315-T355 HydrophobicContact CD1-CG2 3.79Å; E326-T355 WeakPolarHBondContact OE2-CB 3.48Å; E326-T355 PolarHBondContact OE2-OG1 3.3Å; L337-T355 HydrophobicContact CD1-CG2 3.78Å; C339-T355 HydrophobicContact CB-CG2 4.48Å; T355-K357 PolarHBondContact O-N 2.86Å; T355-L360 WeakPolarHBondContact O-CD1 3.47Å | ||
| 356 | N | 79 | Confident | 79.8 | Confident | 70 Ų | 70 | 41.4 Ų | 41.4 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | trans | -54.5 | 114.9 | -172.8 | 177 | -11.6 | 0 | 0 | 0 | 110.5 | T354 K358 L359 L360 | T354-N356 PolarHBondContact OG1-N 2.9Å; N356-K358 PolarHBondContact O-N 3.49Å; N356-K358 PolarHBondContact OD1-N 3.09Å; N356-K358 VanDerWaalsContact OD1-N 3.09Å; N356-L359 HydrophobicContact CB-CB 4.41Å; N356-L359 HydrophobicContact CB-CD1 4.27Å; N356-L359 HydrophobicContact CB-CG 4.27Å; N356-L359 WeakPolarHBondContact O-CA 3.42Å; N356-L359 PolarHBondContact O-N 2.94Å; N356-L360 PolarHBondContact O-N 3.01Å | ||
| 357 | K | 77.4 | Confident | 79.4 | Confident | 149 Ų | 149 | 41.3 Ų | 41.3 | 65% | 0.648 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -48.4 | -35.6 | -175.9 | -58.2 | -166.4 | -178.5 | -169.5 | 0 | 113.5 | E326 T355 L360 S361 | E326-K357 WeakPolarHBondContact OE1-CE 3.4Å; E326-K357 WeakPolarHBondContact OE1-CG 3.44Å; T355-K357 PolarHBondContact O-N 2.86Å; K357-L360 PolarHBondContact O-N 3.26Å; K357-S361 WeakPolarHBondContact O-CB 3.44Å; K357-S361 PolarHBondContact O-N 2.7Å; K357-S361 PolarHBondContact O-OG 3.39Å |
| 358 | K | 75.4 | Confident | 79.1 | Confident | 139 Ų | 139 | 47 Ų | 47 | 60% | 0.604 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.2 | -45.6 | 175.2 | -64.2 | -165.4 | 174 | -163.4 | 0 | 112.3 | N356 L360 S361 L362 | N356-K358 PolarHBondContact O-N 3.49Å; N356-K358 PolarHBondContact OD1-N 3.09Å; N356-K358 VanDerWaalsContact OD1-N 3.09Å; K358-L360 VanDerWaalsContact C-N 3.32Å; K358-S361 PolarHBondContact O-N 3.5Å; K358-S361 PolarHBondContact O-OG 3.4Å; K358-L362 WeakPolarHBondContact O-CG 3.42Å; K358-L362 PolarHBondContact O-N 3.18Å; K358-L362 VanDerWaalsContact O-N 3.11Å |
| 359 | L | 75.7 | Confident | 78.9 | Confident | 51 Ų | 51 | 48.9 Ų | 48.9 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -76.1 | -21.7 | -179.5 | -58.7 | -179.6 | 0 | 0 | 0 | 112.6 | R340 T354 N356 L362 L365 | R340-L359 WeakPolarHBondContact CD-O 3.37Å; R340-L359 PolarHBondContact NH1-O 3.31Å; T354-L359 HydrophobicContact CG2-CB 3.78Å; T354-L359 HydrophobicContact CG2-CD1 3.83Å; T354-L359 HydrophobicContact CG2-CG 4.45Å; N356-L359 HydrophobicContact CB-CB 4.41Å; N356-L359 HydrophobicContact CB-CD1 4.27Å; N356-L359 HydrophobicContact CB-CG 4.27Å; N356-L359 WeakPolarHBondContact O-CA 3.42Å; N356-L359 PolarHBondContact O-N 2.94Å; L359-L362 HydrophobicContact CD2-CD1 3.78Å; L359-L365 HydrophobicContact CD2-CD1 4.06Å |
| 360 | L | 79.9 | Confident | 78.9 | Confident | 38 Ų | 38 | 46.2 Ų | 46.2 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.1 | -41.7 | 167.9 | -66 | 178.7 | 0 | 0 | 0 | 112 | R287 T338 R340 T355 N356 K357 K358 | R287-L360 PolarHBondContact NE-O 2.91Å; R287-L360 PolarHBondContact NH2-O 2.78Å; T338-L360 HydrophobicContact CG2-CD2 4.36Å; R340-L360 HydrophobicContact CB-CD2 4.03Å; T355-L360 WeakPolarHBondContact O-CD1 3.47Å; N356-L360 PolarHBondContact O-N 3.01Å; K357-L360 PolarHBondContact O-N 3.26Å; K358-L360 VanDerWaalsContact C-N 3.32Å |
| 361 | S | 76.2 | Confident | 78.8 | Confident | 92 Ų | 92 | 51.8 Ų | 51.8 | 64% | 0.643 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -74.9 | -31.2 | -177.7 | 64.6 | 0 | 0 | 0 | 0 | 114.1 | K357 K358 | K357-S361 WeakPolarHBondContact O-CB 3.44Å; K357-S361 PolarHBondContact O-N 2.7Å; K357-S361 PolarHBondContact O-OG 3.39Å; K358-S361 PolarHBondContact O-N 3.5Å; K358-S361 PolarHBondContact O-OG 3.4Å |
| 362 | L | 74.2 | Confident | 78.8 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -48.6 | 132.4 | 174.1 | -76.9 | 179.9 | 0 | 0 | 0 | 110.6 | R287 R340 K358 L359 L365 E393 | R287-L362 PolarHBondContact NH2-O 2.75Å; R340-L362 PolarHBondContact NH1-O 3.07Å; K358-L362 WeakPolarHBondContact O-CG 3.42Å; K358-L362 PolarHBondContact O-N 3.18Å; K358-L362 VanDerWaalsContact O-N 3.11Å; L359-L362 HydrophobicContact CD2-CD1 3.78Å; L362-L365 HydrophobicContact CD1-CD1 4.3Å; L362-E393 HydrophobicContact CD2-CB 3.49Å; L362-E393 VanDerWaalsContact CD2-CB 3.49Å; L362-E393 WeakPolarHBondContact CD2-OE2 3.46Å |
| 363 | P | 75.5 | Confident | 78.8 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -61.5 | -49.4 | 177.3 | 23.8 | -30.6 | 0 | 0 | 0 | 110.6 | R340 E393 | R340-P363 PolarHBondContact NH2-O 3.08Å; P363-E393 WeakPolarHBondContact CD-OE2 3.44Å |
| 364 | F | 78.3 | Confident | 78.8 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | trans | -123.5 | 152.4 | 178.7 | 38.4 | -107 | 0 | 0 | 0 | 110.7 | E369 L370 V376 L392 E393 I396 | F364-E369 HydrophobicContact CB-CB 3.97Å; F364-L370 HydrophobicContact CD1-CD2 3.52Å; F364-L370 HydrophobicContact CD1-CG 4.47Å; F364-L370 HydrophobicContact CE1-CD2 3.93Å; F364-L370 HydrophobicContact CG-CD2 4.07Å; F364-V376 HydrophobicContact CE1-CG1 4.21Å; F364-L392 HydrophobicContact CE1-CD2 4.32Å; F364-L392 HydrophobicContact CE2-CB 3.85Å; F364-L392 HydrophobicContact CE2-CD2 4.24Å; F364-L392 HydrophobicContact CZ-CB 3.91Å; F364-L392 HydrophobicContact CZ-CD2 3.81Å; F364-L392 HydrophobicContact CZ-CG 4.21Å; F364-E393 HydrophobicContact CE2-CB 3.94Å; F364-E393 HydrophobicContact CE2-CG 4.49Å; F364-E393 HydrophobicContact CZ-CB 4.44Å; F364-I396 HydrophobicContact CD2-CD1 3.67Å; F364-I396 HydrophobicContact CE2-CD1 4.3Å; F364-I396 HydrophobicContact CG-CD1 4.37Å | ||
| 365 | L | 73.2 | Confident | 79.1 | Confident | 38 Ų | 38 | 63 Ų | 63 | 20% | 0.199 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -116.7 | -36.7 | 175.3 | -174.7 | 74.3 | 0 | 0 | 0 | 111.5 | V284 T342 L359 L362 E369 | V284-L365 HydrophobicContact CG1-CD2 4.32Å; T342-L365 HydrophobicContact CG2-CD2 3.9Å; L359-L365 HydrophobicContact CD2-CD1 4.06Å; L362-L365 HydrophobicContact CD1-CD1 4.3Å; L365-E369 WeakPolarHBondContact CA-OE1 3.2Å; L365-E369 WeakPolarHBondContact CB-OE1 3.34Å; L365-E369 PolarHBondContact N-OE1 3.18Å |
| 366 | S | 72.2 | Confident | 79.4 | Confident | 18 Ų | 18 | 63 Ų | 63 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -121.5 | 166.2 | 178.9 | 76.4 | 0 | 0 | 0 | 0 | 112.4 | H368 E369 | S366-H368 VanDerWaalsContact C-N 3.27Å; S366-H368 PolarHBondContact O-N 3.06Å; S366-H368 PolarHBondContact OG-CD2 2.79Å; S366-H368 PolarHBondContact OG-N 3.45Å; S366-E369 PolarHBondContact N-OE1 3.06Å; S366-E369 VanDerWaalsContact N-OE1 3.1Å; S366-E369 PolarHBondContact O-N 3.07Å |
| 367 | L | 76.9 | Confident | 79.9 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -63.5 | -32.1 | 173.5 | -81 | -167.5 | 0 | 0 | 0 | 112.6 | E369 L370 I396 L430 N435 L437 | L367-E369 PolarHBondContact O-N 3.02Å; L367-L370 HydrophobicContact CD2-CD1 4.03Å; L367-L370 WeakPolarHBondContact O-CB 3.28Å; L367-L370 PolarHBondContact O-N 3.41Å; L367-I396 HydrophobicContact CD2-CD1 4.39Å; L367-I396 HydrophobicContact CD2-CG1 4.14Å; L367-I396 HydrophobicContact CD2-CG2 3.68Å; L367-L430 HydrophobicContact CB-CD1 4.18Å; L367-L430 HydrophobicContact CD1-CD1 4.19Å; L367-L430 HydrophobicContact CD2-CD1 4.04Å; L367-L430 HydrophobicContact CG-CD1 4.37Å; L367-N435 HydrophobicContact CD1-CB 4.48Å; L367-N435 WeakPolarHBondContact CD1-OD1 3.44Å; L367-L437 HydrophobicContact CD2-CB 4.05Å; L367-L437 HydrophobicContact CD2-CD2 4.23Å |
| 368 | H | 76.2 | Confident | 80.5 | Confident | 119 Ų | 119 | 55.8 Ų | 55.8 | 55% | 0.551 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -63.6 | -10.9 | -179.7 | -43.8 | -74.4 | 0 | 0 | 0 | 113.9 | S366 E432 | S366-H368 VanDerWaalsContact C-N 3.27Å; S366-H368 PolarHBondContact O-N 3.06Å; S366-H368 PolarHBondContact OG-CD2 2.79Å; S366-H368 PolarHBondContact OG-N 3.45Å; H368-E432 IonicContact CE1-OE2 3.36Å; H368-E432 PolarHBondContact CE1-OE2 3.06Å; H368-E432 IonicContact CG-OE2 3.83Å; H368-E432 IonicContact ND1-OE2 2.72Å; H368-E432 PolarHBondContact ND1-OE2 2.99Å |
| 369 | E | 76.7 | Confident | 81.3 | Confident | 57 Ų | 57 | 51.2 Ų | 51.2 | 27% | 0.266 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -89.5 | -11.1 | 173.5 | -66.6 | 178.3 | -92.7 | 0 | 0 | 113.3 | G285 R340 F364 L365 S366 L367 | G285-E369 VanDerWaalsContact CA-CD 3.45Å; G285-E369 VanDerWaalsContact CA-OE1 3.29Å; G285-E369 WeakPolarHBondContact CA-OE1 3.35Å; R340-E369 IonicContact CZ-OE2 2.66Å; R340-E369 IonicContact NE-OE2 3.6Å; R340-E369 IonicContact NH2-OE1 3.36Å; R340-E369 IonicContact NH2-OE2 3.92Å; R340-E369 PolarHBondContact NH2-OE2 3.44Å; F364-E369 HydrophobicContact CB-CB 3.97Å; L365-E369 WeakPolarHBondContact CA-OE1 3.2Å; L365-E369 WeakPolarHBondContact CB-OE1 3.34Å; L365-E369 PolarHBondContact N-OE1 3.18Å; S366-E369 PolarHBondContact N-OE1 3.06Å; S366-E369 VanDerWaalsContact N-OE1 3.1Å; S366-E369 PolarHBondContact O-N 3.07Å; L367-E369 PolarHBondContact O-N 3.02Å |
| 370 | L | 82.3 | Confident | 82 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | trans | -90.1 | 149.5 | 174 | -64.6 | 175.8 | 0 | 0 | 0 | 110.5 | F364 L367 V376 L392 I396 L430 L437 | F364-L370 HydrophobicContact CD1-CD2 3.52Å; F364-L370 HydrophobicContact CD1-CG 4.47Å; F364-L370 HydrophobicContact CE1-CD2 3.93Å; F364-L370 HydrophobicContact CG-CD2 4.07Å; L367-L370 HydrophobicContact CD2-CD1 4.03Å; L367-L370 WeakPolarHBondContact O-CB 3.28Å; L367-L370 PolarHBondContact O-N 3.41Å; L370-V376 HydrophobicContact CD2-CG1 4.13Å; L370-L392 HydrophobicContact CD1-CD2 4.01Å; L370-I396 HydrophobicContact CD1-CG2 4.39Å; L370-L430 WeakPolarHBondContact O-CD2 3.04Å; L370-L437 HydrophobicContact CD1-CD1 3.91Å; L370-L437 HydrophobicContact CD1-CD2 3.7Å; L370-L437 HydrophobicContact CD1-CG 4.46Å | ||
| 371 | K | 83.2 | Confident | 82.4 | Confident | 141 Ų | 141 | 50.9 Ų | 50.9 | 61% | 0.613 | 28% | 0.277 | S | S | * | . | trans | -133 | 148.4 | 172.4 | -65.4 | -175.1 | 178.1 | -177.5 | 0 | 109.9 | G373 N374 V427 | K371-G373 PolarHBondContact O-N 2.72Å; K371-N374 PolarHBondContact N-ND2 3.43Å; K371-N374 VanDerWaalsContact N-ND2 3.18Å; K371-N374 WeakPolarHBondContact O-CB 3.36Å; K371-N374 VanDerWaalsContact O-CG 3.3Å; K371-N374 PolarHBondContact O-N 2.99Å; K371-N374 VanDerWaalsContact O-N 3.09Å; K371-V427 WeakPolarHBondContact O-CB 3.41Å | ||
| 372 | P | 85 | Confident | 83 | Confident | 52 Ų | 52 | 48 Ų | 48 | 34% | 0.338 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 134.5 | 168.8 | -24.3 | 34.1 | 0 | 0 | 0 | 110.9 | L489 D490 | P372-L489 HydrophobicContact CB-CB 4.12Å; P372-D490 HydrophobicContact CG-CB 4.12Å |
| 373 | G | 84.8 | Confident | 83.6 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K371 K375 L426 V427 | K371-G373 PolarHBondContact O-N 2.72Å; G373-K375 PolarHBondContact O-N 3.38Å; G373-L426 WeakPolarHBondContact O-CD1 3.44Å; G373-V427 PolarHBondContact N-O 2.63Å |
| 374 | N | 87.2 | Confident | 83.9 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 33% | 0.326 | 25% | 0.245 | S | C | . | . | trans | -65.2 | 131.1 | 172.6 | -74.1 | 2.7 | 0 | 0 | 0 | 110.8 | K371 V376 V427 | K371-N374 PolarHBondContact N-ND2 3.43Å; K371-N374 VanDerWaalsContact N-ND2 3.18Å; K371-N374 WeakPolarHBondContact O-CB 3.36Å; K371-N374 VanDerWaalsContact O-CG 3.3Å; K371-N374 PolarHBondContact O-N 2.99Å; K371-N374 VanDerWaalsContact O-N 3.09Å; N374-V376 HydrophobicContact CB-CG1 4.41Å; N374-V427 HydrophobicContact CB-CB 4.49Å; N374-V427 HydrophobicContact CB-CG2 4.04Å; N374-V427 PolarHBondContact O-N 3.17Å | ||
| 375 | K | 88.9 | Confident | 84.1 | Confident | 139 Ų | 139 | 49.7 Ų | 49.7 | 60% | 0.604 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 130.5 | 167.2 | -63.3 | -172.7 | -170.7 | -166.6 | 0 | 109.5 | G373 C425 L426 L446 | G373-K375 PolarHBondContact O-N 3.38Å; K375-C425 CarbonylContact C-O 3.54Å; K375-C425 WeakPolarHBondContact CA-O 3.31Å; K375-L426 HydrophobicContact CG-CD1 3.64Å; K375-L446 WeakPolarHBondContact CE-O 3.37Å; K375-L446 PolarHBondContact NZ-O 2.96Å |
| 376 | V | 89.9 | Confident | 84.4 | Confident | 13 Ų | 13 | 50 Ų | 50 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 142.5 | -173 | -65.9 | 0 | 0 | 0 | 0 | 110.8 | F364 L370 N374 L392 C425 V427 L439 | F364-V376 HydrophobicContact CE1-CG1 4.21Å; L370-V376 HydrophobicContact CD2-CG1 4.13Å; N374-V376 HydrophobicContact CB-CG1 4.41Å; V376-L392 HydrophobicContact CB-CD2 4.15Å; V376-L392 HydrophobicContact CG1-CD2 4.29Å; V376-L392 HydrophobicContact CG2-CD2 4.09Å; V376-C425 HydrophobicContact CG2-CB 4.12Å; V376-C425 PolarHBondContact N-O 3.19Å; V376-C425 PolarHBondContact O-N 2.86Å; V376-V427 HydrophobicContact CG1-CG2 4.18Å; V376-V427 HydrophobicContact CG2-CG2 4.16Å; V376-L439 HydrophobicContact CG2-CD2 4.21Å |
| 377 | S | 89.8 | Confident | 85.2 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 47% | 0.469 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 134.7 | 168.4 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 378 | A | 90.2 | Very high | 85.8 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 2% | 0.017 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V390 L392 V423 | A378-V390 HydrophobicContact CB-CB 3.82Å; A378-V390 HydrophobicContact CB-CG2 3.62Å; A378-L392 HydrophobicContact CB-CD1 3.68Å; A378-L392 HydrophobicContact CB-CG 4.23Å; A378-V423 PolarHBondContact N-O 3.24Å; A378-V423 PolarHBondContact O-N 2.85Å |
| 379 | T | 91 | Very high | 86.6 | Confident | 42 Ų | 42 | 43.8 Ų | 43.8 | 26% | 0.258 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.9 | 179.2 | 48.2 | 0 | 0 | 0 | 0 | 111.5 | K381 V390 H391 E421 K422 | T379-K381 PolarHBondContact O-N 2.96Å; T379-V390 CarbonylContact O-C 3.53Å; T379-V390 WeakPolarHBondContact O-CA 3.38Å; T379-V390 WeakPolarHBondContact O-CB 3.26Å; T379-H391 PolarHBondContact N-O 3.16Å; T379-H391 PolarHBondContact O-N 3.17Å; T379-H391 PolarHBondContact OG1-O 3.3Å; T379-E421 CarbonylContact C-O 3.57Å; T379-E421 VanDerWaalsContact CA-O 3.31Å; T379-E421 WeakPolarHBondContact CA-O 3.3Å; T379-K422 HydrophobicContact CG2-CG 3.75Å |
| 380 | V | 91.6 | Very high | 87.3 | Confident | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 117.5 | 178.3 | -179.9 | 0 | 0 | 0 | 0 | 110 | I388 F417 K418 G420 E421 V423 | V380-I388 HydrophobicContact CG1-CG2 3.77Å; V380-I388 HydrophobicContact CG2-CG2 4.4Å; V380-F417 HydrophobicContact CG2-CB 4.45Å; V380-K418 VanDerWaalsContact CB-O 3.28Å; V380-K418 WeakPolarHBondContact CB-O 3.43Å; V380-G420 PolarHBondContact O-N 3.4Å; V380-E421 HydrophobicContact CG2-CB 4.42Å; V380-E421 PolarHBondContact N-O 3.38Å; V380-V423 HydrophobicContact CG2-CG2 3.7Å |
| 381 | K | 87.5 | Confident | 87.7 | Confident | 77 Ų | 77 | 43.8 Ų | 43.8 | 34% | 0.335 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -46.1 | -175.3 | -167.8 | -170.2 | -174.7 | -164.3 | 0 | 113 | T379 V389 H391 H397 N1505 | T379-K381 PolarHBondContact O-N 2.96Å; K381-V389 WeakPolarHBondContact CB-O 3.49Å; K381-V389 PolarHBondContact N-O 3.41Å; K381-H391 HydrophobicContact CB-CB 4.49Å; K381-H397 PolarHBondContact NZ-CE1 3.35Å; K381-H397 PolarHBondContact NZ-NE2 2.65Å; K381-N1505 WeakPolarHBondContact CE-OD1 3.32Å |
| 382 | R | 88.6 | Confident | 87.8 | Confident | 32 Ų | 32 | 37.2 Ų | 37.2 | 12% | 0.121 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 161.7 | 175.5 | 64.3 | 178.4 | -170.8 | 124.1 | -10.2 | 111.3 | V389 N1505 | R382-V389 HydrophobicContact CG-CB 3.72Å; R382-V389 HydrophobicContact CG-CG1 4.28Å; R382-V389 HydrophobicContact CG-CG2 4.02Å; R382-V389 PolarHBondContact N-O 2.93Å; R382-V389 VanDerWaalsContact N-O 3.17Å; R382-V389 WeakPolarHBondContact O-CA 3.4Å; R382-V389 WeakPolarHBondContact O-CB 3.41Å; R382-V389 PolarHBondContact O-N 3.45Å; R382-N1505 HydrophobicContact CB-CB 4.16Å |
| 383 | Y | 86.9 | Confident | 87.3 | Confident | 41 Ų | 41 | 39.4 Ų | 39.4 | 16% | 0.161 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 158.2 | 164.4 | -49.9 | -86.5 | 0 | 0 | 0 | 110.7 | I388 R414 F417 | Y383-I388 HydrophobicContact CD1-CG1 4.08Å; Y383-I388 HydrophobicContact CE1-CD1 4.33Å; Y383-I388 HydrophobicContact CE1-CG1 4.26Å; Y383-R414 HydrophobicContact CE1-CG 4.08Å; Y383-R414 HydrophobicContact CE2-CG 4Å; Y383-F417 PolarHBondContact OH-O 3.45Å |
| 384 | S | 82.6 | Confident | 86.5 | Confident | 29 Ų | 29 | 40.1 Ų | 40.1 | 20% | 0.203 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 163.5 | 175.8 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | T386 G387 Y402 | S384-T386 PolarHBondContact O-N 3.17Å; S384-G387 WeakPolarHBondContact CB-O 3.44Å; S384-G387 PolarHBondContact N-O 3.34Å; S384-G387 PolarHBondContact O-N 2.89Å; S384-Y402 VanDerWaalsContact O-CE2 3.24Å; S384-Y402 WeakPolarHBondContact O-CE2 3.34Å; S384-Y402 PolarHBondContact O-OH 3.24Å |
| 385 | K | 80.7 | Confident | 85.7 | Confident | 68 Ų | 68 | 46.9 Ų | 46.9 | 30% | 0.296 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25.1 | 176.3 | -62.2 | -168.6 | 172.6 | 178.7 | 0 | 113.1 | V1633 | K385-V1633 WeakPolarHBondContact CG-O 3.5Š|
| 386 | T | 80.9 | Confident | 85.4 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 27% | 0.27 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -8.3 | -176.4 | 40.2 | 0 | 0 | 0 | 0 | 115.4 | S384 P401 Y402 S1696 | S384-T386 PolarHBondContact O-N 3.17Å; T386-P401 WeakPolarHBondContact O-CA 3.4Å; T386-Y402 PolarHBondContact O-N 3.06Å; T386-S1696 WeakPolarHBondContact CG2-O 3.39Å; T386-S1696 PolarHBondContact OG1-O 3.44Å |
| 387 | G | 88.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.3 | -168.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S384 I400 | S384-G387 WeakPolarHBondContact CB-O 3.44Å; S384-G387 PolarHBondContact N-O 3.34Å; S384-G387 PolarHBondContact O-N 2.89Å; G387-I400 CarbonylContact C-O 3.46Å; G387-I400 VanDerWaalsContact CA-O 3.28Å; G387-I400 WeakPolarHBondContact CA-O 3.34Å |
| 388 | I | 90.9 | Very high | 85.2 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 120.4 | 177.8 | -49 | -176.5 | 0 | 0 | 0 | 109.3 | V380 Y383 V390 I400 Y402 T405 F417 | V380-I388 HydrophobicContact CG1-CG2 3.77Å; V380-I388 HydrophobicContact CG2-CG2 4.4Å; Y383-I388 HydrophobicContact CD1-CG1 4.08Å; Y383-I388 HydrophobicContact CE1-CD1 4.33Å; Y383-I388 HydrophobicContact CE1-CG1 4.26Å; I388-V390 HydrophobicContact CG2-CG1 3.94Å; I388-I400 HydrophobicContact CB-CB 4.43Å; I388-I400 PolarHBondContact N-O 3.01Å; I388-I400 PolarHBondContact O-N 2.9Å; I388-Y402 HydrophobicContact CG1-CE1 4.48Å; I388-T405 HydrophobicContact CD1-CG2 3.81Å; I388-T405 HydrophobicContact CG1-CG2 4.18Å; I388-F417 HydrophobicContact CD1-CB 3.69Å; I388-F417 HydrophobicContact CD1-CD2 3.91Å; I388-F417 HydrophobicContact CD1-CG 3.82Å |
| 389 | V | 91.4 | Very high | 85.3 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 121.5 | 172 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | K381 R382 G398 L399 | K381-V389 WeakPolarHBondContact CB-O 3.49Å; K381-V389 PolarHBondContact N-O 3.41Å; R382-V389 HydrophobicContact CG-CB 3.72Å; R382-V389 HydrophobicContact CG-CG1 4.28Å; R382-V389 HydrophobicContact CG-CG2 4.02Å; R382-V389 PolarHBondContact N-O 2.93Å; R382-V389 VanDerWaalsContact N-O 3.17Å; R382-V389 WeakPolarHBondContact O-CA 3.4Å; R382-V389 WeakPolarHBondContact O-CB 3.41Å; R382-V389 PolarHBondContact O-N 3.45Å; V389-G398 WeakPolarHBondContact CA-O 3.09Å; V389-L399 HydrophobicContact CG2-CD1 3.96Å |
| 390 | V | 92.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 153.4 | -177.6 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | A378 T379 I388 L392 H397 G398 I400 L439 | A378-V390 HydrophobicContact CB-CB 3.82Å; A378-V390 HydrophobicContact CB-CG2 3.62Å; T379-V390 CarbonylContact O-C 3.53Å; T379-V390 WeakPolarHBondContact O-CA 3.38Å; T379-V390 WeakPolarHBondContact O-CB 3.26Å; I388-V390 HydrophobicContact CG2-CG1 3.94Å; V390-L392 HydrophobicContact CG2-CD1 4.26Å; V390-H397 WeakPolarHBondContact O-CA 3.41Å; V390-G398 PolarHBondContact N-O 3.17Å; V390-G398 PolarHBondContact O-N 3.11Å; V390-I400 HydrophobicContact CG1-CD1 3.61Å; V390-I400 HydrophobicContact CG1-CG1 4.26Å; V390-I400 HydrophobicContact CG2-CD1 4.32Å; V390-I400 HydrophobicContact CG2-CG1 4.32Å; V390-L439 HydrophobicContact CG2-CD1 3.51Å |
| 391 | H | 89.6 | Confident | 85.4 | Confident | 62 Ų | 62 | 41.4 Ų | 41.4 | 29% | 0.287 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 114.1 | 177.4 | 178.7 | 38.9 | 0 | 0 | 0 | 109.7 | T379 K381 I396 H397 | T379-H391 PolarHBondContact N-O 3.16Å; T379-H391 PolarHBondContact O-N 3.17Å; T379-H391 PolarHBondContact OG1-O 3.3Å; K381-H391 HydrophobicContact CB-CB 4.49Å; H391-I396 PolarHBondContact ND1-O 3.42Å; H391-H397 AromaticContact CE1-CE1 3.96Å; H391-H397 AromaticContact CG-CE1 3.65Å; H391-H397 AromaticContact CG-ND1 3.73Å; H391-H397 AromaticContact ND1-CE1 3.26Å; H391-H397 PolarHBondContact ND1-CE1 3.31Å; H391-H397 VanDerWaalsContact ND1-CE1 3.26Å; H391-H397 AromaticContact ND1-ND1 3.29Å; H391-H397 PolarHBondContact ND1-ND1 3.25Å |
| 392 | L | 85.6 | Confident | 85.5 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | trans | -80.1 | 169.5 | 163.7 | -79.6 | 71.8 | 0 | 0 | 0 | 108.3 | F364 L370 V376 A378 V390 I396 L437 L439 | F364-L392 HydrophobicContact CE1-CD2 4.32Å; F364-L392 HydrophobicContact CE2-CB 3.85Å; F364-L392 HydrophobicContact CE2-CD2 4.24Å; F364-L392 HydrophobicContact CZ-CB 3.91Å; F364-L392 HydrophobicContact CZ-CD2 3.81Å; F364-L392 HydrophobicContact CZ-CG 4.21Å; L370-L392 HydrophobicContact CD1-CD2 4.01Å; V376-L392 HydrophobicContact CB-CD2 4.15Å; V376-L392 HydrophobicContact CG1-CD2 4.29Å; V376-L392 HydrophobicContact CG2-CD2 4.09Å; A378-L392 HydrophobicContact CB-CD1 3.68Å; A378-L392 HydrophobicContact CB-CG 4.23Å; V390-L392 HydrophobicContact CG2-CD1 4.26Å; L392-I396 HydrophobicContact CB-CB 4.15Å; L392-I396 HydrophobicContact CB-CG2 3.98Å; L392-I396 HydrophobicContact CD2-CG2 4.16Å; L392-I396 HydrophobicContact CG-CG2 4.5Å; L392-I396 PolarHBondContact N-O 2.94Å; L392-I396 VanDerWaalsContact N-O 3.14Å; L392-L437 HydrophobicContact CD1-CD2 3.97Å; L392-L437 HydrophobicContact CD2-CD2 3.74Å; L392-L437 HydrophobicContact CG-CD2 4.49Å; L392-L439 HydrophobicContact CD1-CD1 3.7Å | ||
| 393 | E | 74.2 | Confident | 85.5 | Confident | 98 Ų | 98 | 41.2 Ų | 41.2 | 46% | 0.458 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -58.9 | 156.1 | -178.1 | -46.5 | -167.2 | 179.3 | 0 | 0 | 114.4 | L362 P363 F364 R395 | L362-E393 HydrophobicContact CD2-CB 3.49Å; L362-E393 VanDerWaalsContact CD2-CB 3.49Å; L362-E393 WeakPolarHBondContact CD2-OE2 3.46Å; P363-E393 WeakPolarHBondContact CD-OE2 3.44Å; F364-E393 HydrophobicContact CE2-CB 3.94Å; F364-E393 HydrophobicContact CE2-CG 4.49Å; F364-E393 HydrophobicContact CZ-CB 4.44Å; E393-R395 PolarHBondContact O-N 3.37Å |
| 394 | G | 68.5 | Low | 85.6 | Confident | 43 Ų | 43 | 39.8 Ų | 39.8 | 44% | 0.443 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -108.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 395 | R | 71.1 | Confident | 85.9 | Confident | 204 Ų | 204 | 38.4 Ų | 38.4 | 77% | 0.77 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | 4.9 | 180 | -71.9 | -175.9 | 175.9 | 169.8 | -0.8 | 113.3 | E393 | E393-R395 PolarHBondContact O-N 3.37Š|
| 396 | I | 81.7 | Confident | 86.3 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 6% | 0.056 | 18% | 0.178 | C | C | . | . | trans | -85.7 | 135.5 | -170.9 | -67.7 | 160.6 | 0 | 0 | 0 | 110.3 | F364 L367 L370 H391 L392 L437 | F364-I396 HydrophobicContact CD2-CD1 3.67Å; F364-I396 HydrophobicContact CE2-CD1 4.3Å; F364-I396 HydrophobicContact CG-CD1 4.37Å; L367-I396 HydrophobicContact CD2-CD1 4.39Å; L367-I396 HydrophobicContact CD2-CG1 4.14Å; L367-I396 HydrophobicContact CD2-CG2 3.68Å; L370-I396 HydrophobicContact CD1-CG2 4.39Å; H391-I396 PolarHBondContact ND1-O 3.42Å; L392-I396 HydrophobicContact CB-CB 4.15Å; L392-I396 HydrophobicContact CB-CG2 3.98Å; L392-I396 HydrophobicContact CD2-CG2 4.16Å; L392-I396 HydrophobicContact CG-CG2 4.5Å; L392-I396 PolarHBondContact N-O 2.94Å; L392-I396 VanDerWaalsContact N-O 3.14Å; I396-L437 HydrophobicContact CG2-CD2 3.59Å | ||
| 397 | H | 86.7 | Confident | 86.4 | Confident | 79 Ų | 79 | 35.5 Ų | 35.5 | 37% | 0.366 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.8 | 173.7 | -68.8 | -30.3 | 0 | 0 | 0 | 108.8 | K381 V390 H391 | K381-H397 PolarHBondContact NZ-CE1 3.35Å; K381-H397 PolarHBondContact NZ-NE2 2.65Å; V390-H397 WeakPolarHBondContact O-CA 3.41Å; H391-H397 AromaticContact CE1-CE1 3.96Å; H391-H397 AromaticContact CG-CE1 3.65Å; H391-H397 AromaticContact CG-ND1 3.73Å; H391-H397 AromaticContact ND1-CE1 3.26Å; H391-H397 PolarHBondContact ND1-CE1 3.31Å; H391-H397 VanDerWaalsContact ND1-CE1 3.26Å; H391-H397 AromaticContact ND1-ND1 3.29Å; H391-H397 PolarHBondContact ND1-ND1 3.25Å |
| 398 | G | 89.3 | Confident | 86.1 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 162.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V389 V390 L437 | V389-G398 WeakPolarHBondContact CA-O 3.09Å; V390-G398 PolarHBondContact N-O 3.17Å; V390-G398 PolarHBondContact O-N 3.11Å; G398-L437 CarbonylContact C-O 3.55Å; G398-L437 VanDerWaalsContact CA-O 3.25Å; G398-L437 WeakPolarHBondContact CA-O 3.5Å |
| 399 | L | 92.5 | Very high | 85.2 | Confident | 31 Ų | 31 | 46 Ų | 46 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129 | 171.4 | -175.8 | 71 | 0 | 0 | 0 | 108.8 | V389 P401 L437 I438 L439 | V389-L399 HydrophobicContact CG2-CD1 3.96Å; L399-P401 WeakPolarHBondContact O-CD 3.26Å; L399-L437 PolarHBondContact N-O 2.87Å; L399-I438 WeakPolarHBondContact O-CA 3.28Å; L399-L439 PolarHBondContact O-N 3.46Å |
| 400 | I | 93.2 | Very high | 84.6 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 104.7 | 162.2 | -54.6 | 162.7 | 0 | 0 | 0 | 106 | G387 I388 V390 H404 T405 L439 A441 | G387-I400 CarbonylContact C-O 3.46Å; G387-I400 VanDerWaalsContact CA-O 3.28Å; G387-I400 WeakPolarHBondContact CA-O 3.34Å; I388-I400 HydrophobicContact CB-CB 4.43Å; I388-I400 PolarHBondContact N-O 3.01Å; I388-I400 PolarHBondContact O-N 2.9Å; V390-I400 HydrophobicContact CG1-CD1 3.61Å; V390-I400 HydrophobicContact CG1-CG1 4.26Å; V390-I400 HydrophobicContact CG2-CD1 4.32Å; V390-I400 HydrophobicContact CG2-CG1 4.32Å; I400-H404 HydrophobicContact CG2-CB 4.27Å; I400-T405 HydrophobicContact CG2-CG2 4.05Å; I400-L439 HydrophobicContact CG1-CB 3.87Å; I400-A441 HydrophobicContact CD1-CB 4.33Å; I400-A441 HydrophobicContact CG2-CB 4.3Å |
| 401 | P | 91.3 | Very high | 83.7 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 151.5 | 176.5 | -23.6 | 33.2 | 0 | 0 | 0 | 111.2 | T386 L399 L403 H404 T405 I438 L439 | T386-P401 WeakPolarHBondContact O-CA 3.4Å; L399-P401 WeakPolarHBondContact O-CD 3.26Å; P401-L403 PolarHBondContact O-N 3.46Å; P401-L403 VanDerWaalsContact O-N 3.14Å; P401-H404 CarbonylContact O-C 3.47Å; P401-H404 WeakPolarHBondContact O-CA 3.49Å; P401-H404 PolarHBondContact O-N 3.31Å; P401-T405 PolarHBondContact O-N 3.47Å; P401-I438 HydrophobicContact CG-CG2 3.81Å; P401-L439 WeakPolarHBondContact CD-O 3.44Å |
| 402 | Y | 89.8 | Confident | 83.2 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -55.4 | -35.7 | 178.5 | -70.6 | -55.3 | 0 | 0 | 0 | 112.8 | S384 T386 I388 H404 T405 H413 | S384-Y402 VanDerWaalsContact O-CE2 3.24Å; S384-Y402 WeakPolarHBondContact O-CE2 3.34Å; S384-Y402 PolarHBondContact O-OH 3.24Å; T386-Y402 PolarHBondContact O-N 3.06Å; I388-Y402 HydrophobicContact CG1-CE1 4.48Å; Y402-H404 PolarHBondContact O-N 3.09Å; Y402-H404 VanDerWaalsContact O-N 3.1Å; Y402-T405 PolarHBondContact O-N 2.79Å; Y402-H413 HydrophobicContact CD1-CB 4.16Å; Y402-H413 AromaticContact CD1-CD2 3.29Å; Y402-H413 WeakPolarHBondContact CD1-CD2 3.44Å; Y402-H413 AromaticContact CD1-CE1 3.78Å; Y402-H413 AromaticContact CD1-CG 3.52Å; Y402-H413 AromaticContact CD1-ND1 3.81Å; Y402-H413 AromaticContact CD1-NE2 3.45Å; Y402-H413 WeakPolarHBondContact CD1-NE2 3.48Å; Y402-H413 HydrophobicContact CE1-CB 4.06Å; Y402-H413 AromaticContact CE1-CD2 3.71Å; Y402-H413 AromaticContact CE1-CG 3.88Å; Y402-H413 AromaticContact CG-NE2 3.81Å; Y402-H413 PolarHBondContact O-CE1 3.42Å |
| 403 | L | 88 | Confident | 83.1 | Confident | 46 Ų | 46 | 56.7 Ų | 56.7 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -64.5 | -8.8 | 173.5 | -157.9 | 71 | 0 | 0 | 0 | 114.7 | P401 K442 R515 | P401-L403 PolarHBondContact O-N 3.46Å; P401-L403 VanDerWaalsContact O-N 3.14Å; L403-K442 WeakPolarHBondContact O-CE 3.37Å; L403-K442 PolarHBondContact O-NZ 3.29Å; L403-R515 HydrophobicContact CD1-CG 4.42Å; L403-R515 HydrophobicContact CD2-CG 4.12Å |
| 404 | H | 89.6 | Confident | 83.4 | Confident | 11 Ų | 11 | 57 Ų | 57 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -123 | 0.9 | -177.1 | -75.9 | -82.7 | 0 | 0 | 0 | 114 | I400 P401 Y402 T440 A441 K442 F475 | I400-H404 HydrophobicContact CG2-CB 4.27Å; P401-H404 CarbonylContact O-C 3.47Å; P401-H404 WeakPolarHBondContact O-CA 3.49Å; P401-H404 PolarHBondContact O-N 3.31Å; Y402-H404 PolarHBondContact O-N 3.09Å; Y402-H404 VanDerWaalsContact O-N 3.1Å; H404-T440 PolarHBondContact ND1-OG1 2.9Å; H404-T440 VanDerWaalsContact ND1-OG1 3.15Å; H404-T440 PolarHBondContact O-OG1 3.12Å; H404-A441 PolarHBondContact O-N 2.91Å; H404-K442 PolarHBondContact O-N 2.78Å; H404-K442 VanDerWaalsContact O-N 3.13Å; H404-F475 AromaticContact CE1-CD2 3.74Å; H404-F475 AromaticContact CE1-CE1 3.89Å; H404-F475 AromaticContact CE1-CE2 3.44Å; H404-F475 VanDerWaalsContact CE1-CE2 3.44Å; H404-F475 WeakPolarHBondContact CE1-CE2 3.25Å; H404-F475 AromaticContact CE1-CZ 3.53Å; H404-F475 AromaticContact NE2-CD2 3.94Å; H404-F475 AromaticContact NE2-CE2 3.4Å; H404-F475 WeakPolarHBondContact NE2-CE2 3.22Å; H404-F475 AromaticContact NE2-CZ 3.77Å |
| 405 | T | 88.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -7.8 | -93.3 | 136.8 | 136.3 | 0 | 0 | 0 | 0 | 119.8 | I388 I400 P401 Y402 H413 F417 A441 | I388-T405 HydrophobicContact CD1-CG2 3.81Å; I388-T405 HydrophobicContact CG1-CG2 4.18Å; I400-T405 HydrophobicContact CG2-CG2 4.05Å; P401-T405 PolarHBondContact O-N 3.47Å; Y402-T405 PolarHBondContact O-N 2.79Å; T405-H413 PolarHBondContact OG1-CE1 2.98Å; T405-H413 PolarHBondContact OG1-ND1 3.12Å; T405-F417 HydrophobicContact CG2-CE2 4.36Å; T405-F417 WeakPolarHBondContact OG1-CE2 3.46Å; T405-A441 CarbonylContact O-C 3.45Å |
| 406 | T | 87.9 | Confident | 84.4 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | trans | -158.5 | 151.5 | -156.4 | 34.6 | 0 | 0 | 0 | 0 | 106.6 | I408 L410 K416 F417 K442 | T406-I408 VanDerWaalsContact C-N 3.27Å; T406-I408 CarbonylContact C-O 3.56Å; T406-I408 WeakPolarHBondContact CB-O 3.29Å; T406-I408 PolarHBondContact O-N 3.47Å; T406-I408 PolarHBondContact OG1-O 2.78Å; T406-L410 HydrophobicContact CG2-CD1 4.04Å; T406-K416 HydrophobicContact CG2-CD 3.86Å; T406-F417 HydrophobicContact CG2-CE2 4.17Å; T406-F417 HydrophobicContact CG2-CZ 4.2Å; T406-K442 VanDerWaalsContact C-CE 3.48Å; T406-K442 WeakPolarHBondContact O-CE 3.21Å | ||
| 407 | D | 84.1 | Confident | 84.7 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -66.7 | -33.2 | -176.9 | -56.7 | -58.7 | 0 | 0 | 0 | 112.2 | K442 P443 G444 Y514 V518 | D407-K442 WeakPolarHBondContact OD1-CB 3.42Å; D407-K442 WeakPolarHBondContact OD1-CG 3.43Å; D407-P443 WeakPolarHBondContact OD2-CB 3.29Å; D407-P443 WeakPolarHBondContact OD2-CD 3.17Å; D407-G444 PolarHBondContact OD1-N 3.33Å; D407-G444 PolarHBondContact OD2-N 2.9Å; D407-Y514 PolarHBondContact O-OH 2.77Å; D407-Y514 VanDerWaalsContact O-OH 3.12Å; D407-V518 WeakPolarHBondContact OD1-CG2 3.31Å |
| 408 | I | 81.9 | Confident | 84.6 | Confident | 130 Ų | 130 | 60.1 Ų | 60.1 | 67% | 0.667 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -85.3 | 136.1 | 166.3 | -54.7 | 172.6 | 0 | 0 | 0 | 109.2 | T406 L410 | T406-I408 VanDerWaalsContact C-N 3.27Å; T406-I408 CarbonylContact C-O 3.56Å; T406-I408 WeakPolarHBondContact CB-O 3.29Å; T406-I408 PolarHBondContact O-N 3.47Å; T406-I408 PolarHBondContact OG1-O 2.78Å; I408-L410 PolarHBondContact O-N 2.94Å |
| 409 | N | 72.5 | Confident | 84.3 | Confident | 92 Ų | 92 | 63.7 Ų | 63.7 | 49% | 0.492 | 31% | 0.313 | S | S | . | . | trans | -70 | 115 | 172 | -68.4 | -25.1 | 0 | 0 | 0 | 109.9 | ||||
| 410 | L | 78.1 | Confident | 83.9 | Confident | 60 Ų | 60 | 65 Ų | 65 | 31% | 0.314 | 33% | 0.334 | S | S | . | . | trans | -82.8 | 152.1 | 176.1 | -61 | 171.9 | 0 | 0 | 0 | 111.1 | T406 I408 D412 K416 | T406-L410 HydrophobicContact CG2-CD1 4.04Å; I408-L410 PolarHBondContact O-N 2.94Å; L410-D412 VanDerWaalsContact CB-O 3.24Å; L410-D412 WeakPolarHBondContact CB-O 3.39Å; L410-K416 HydrophobicContact CD1-CB 4.36Å; L410-K416 HydrophobicContact CD1-CD 4.3Å | ||
| 411 | K | 74.2 | Confident | 83.7 | Confident | 188 Ų | 188 | 68.9 Ų | 68.9 | 82% | 0.817 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -79 | -41.5 | 167.6 | -64.8 | -176.4 | 177.3 | 179 | 0 | 111.6 | ||
| 412 | D | 79.2 | Confident | 83.7 | Confident | 28 Ų | 28 | 75.2 Ų | 75.2 | 15% | 0.15 | 38% | 0.376 | C | S | . | . | trans | -114.5 | 139.8 | 167.1 | -141.4 | -48 | 0 | 0 | 0 | 112.3 | L410 R414 E415 Q1631 | L410-D412 VanDerWaalsContact CB-O 3.24Å; L410-D412 WeakPolarHBondContact CB-O 3.39Å; D412-R414 WeakPolarHBondContact OD1-CB 3.28Å; D412-R414 VanDerWaalsContact OD1-CG 3.25Å; D412-R414 WeakPolarHBondContact OD1-CG 3.34Å; D412-R414 PolarHBondContact OD1-N 3.37Å; D412-E415 HydrophobicContact CB-CG 4.23Å; D412-Q1631 HydrophobicContact CB-CG 3.96Å; D412-Q1631 WeakPolarHBondContact OD2-CG 3.47Å; D412-Q1631 PolarHBondContact OD2-NE2 3.31Å; D412-Q1631 VanDerWaalsContact OD2-NE2 3.07Å | ||
| 413 | H | 82.8 | Confident | 83.7 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 13% | 0.125 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -98.8 | -10.8 | 171.6 | -61.4 | -93.6 | 0 | 0 | 0 | 112.1 | Y402 T405 F417 | Y402-H413 HydrophobicContact CD1-CB 4.16Å; Y402-H413 AromaticContact CD1-CD2 3.29Å; Y402-H413 WeakPolarHBondContact CD1-CD2 3.44Å; Y402-H413 AromaticContact CD1-CE1 3.78Å; Y402-H413 AromaticContact CD1-CG 3.52Å; Y402-H413 AromaticContact CD1-ND1 3.81Å; Y402-H413 AromaticContact CD1-NE2 3.45Å; Y402-H413 WeakPolarHBondContact CD1-NE2 3.48Å; Y402-H413 HydrophobicContact CE1-CB 4.06Å; Y402-H413 AromaticContact CE1-CD2 3.71Å; Y402-H413 AromaticContact CE1-CG 3.88Å; Y402-H413 AromaticContact CG-NE2 3.81Å; Y402-H413 PolarHBondContact O-CE1 3.42Å; T405-H413 PolarHBondContact OG1-CE1 2.98Å; T405-H413 PolarHBondContact OG1-ND1 3.12Å; H413-F417 PolarHBondContact O-N 2.86Å |
| 414 | R | 80.2 | Confident | 83.9 | Confident | 106 Ų | 106 | 74.1 Ų | 74.1 | 40% | 0.4 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -33.8 | -177.1 | -65.3 | 171.7 | 169.3 | -174.9 | -1.9 | 113.2 | Y383 D412 K416 | Y383-R414 HydrophobicContact CE1-CG 4.08Å; Y383-R414 HydrophobicContact CE2-CG 4Å; D412-R414 WeakPolarHBondContact OD1-CB 3.28Å; D412-R414 VanDerWaalsContact OD1-CG 3.25Å; D412-R414 WeakPolarHBondContact OD1-CG 3.34Å; D412-R414 PolarHBondContact OD1-N 3.37Å; R414-K416 VanDerWaalsContact C-N 3.33Å; R414-K416 PolarHBondContact O-N 3.5Å |
| 415 | E | 79.6 | Confident | 84 | Confident | 141 Ų | 141 | 73.6 Ų | 73.6 | 66% | 0.659 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -40 | -179.2 | -66.1 | 168.7 | -174.9 | 0 | 0 | 112.1 | D412 | D412-E415 HydrophobicContact CB-CG 4.23Š|
| 416 | K | 82.1 | Confident | 84.1 | Confident | 112 Ų | 112 | 73.7 Ų | 73.7 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -18.4 | -173.1 | -175.9 | 164.1 | -178.9 | 163.1 | 0 | 115.4 | T406 L410 R414 | T406-K416 HydrophobicContact CG2-CD 3.86Å; L410-K416 HydrophobicContact CD1-CB 4.36Å; L410-K416 HydrophobicContact CD1-CD 4.3Å; R414-K416 VanDerWaalsContact C-N 3.33Å; R414-K416 PolarHBondContact O-N 3.5Å |
| 417 | F | 86.3 | Confident | 84.3 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -135.3 | 80.8 | -174 | -62.1 | -81.3 | 0 | 0 | 0 | 110.4 | V380 Y383 I388 T405 T406 H413 V423 A441 | V380-F417 HydrophobicContact CG2-CB 4.45Å; Y383-F417 PolarHBondContact OH-O 3.45Å; I388-F417 HydrophobicContact CD1-CB 3.69Å; I388-F417 HydrophobicContact CD1-CD2 3.91Å; I388-F417 HydrophobicContact CD1-CG 3.82Å; T405-F417 HydrophobicContact CG2-CE2 4.36Å; T405-F417 WeakPolarHBondContact OG1-CE2 3.46Å; T406-F417 HydrophobicContact CG2-CE2 4.17Å; T406-F417 HydrophobicContact CG2-CZ 4.2Å; H413-F417 PolarHBondContact O-N 2.86Å; F417-V423 HydrophobicContact CD1-CG1 4.13Å; F417-V423 HydrophobicContact CD1-CG2 3.86Å; F417-V423 HydrophobicContact CE1-CG1 3.9Å; F417-V423 HydrophobicContact CE1-CG2 4.45Å; F417-A441 HydrophobicContact CE1-CB 4.27Å; F417-A441 HydrophobicContact CZ-CB 4.45Å |
| 418 | K | 84.7 | Confident | 84.6 | Confident | 135 Ų | 135 | 71.8 Ų | 71.8 | 59% | 0.587 | 37% | 0.368 | S | S | * | . | trans | -73.7 | 149.2 | -170.7 | -65.1 | 175.4 | -177.9 | 174.6 | 0 | 111.4 | V380 G420 E421 | V380-K418 VanDerWaalsContact CB-O 3.28Å; V380-K418 WeakPolarHBondContact CB-O 3.43Å; K418-G420 PolarHBondContact O-N 3.04Å; K418-E421 HydrophobicContact CB-CB 4.43Å; K418-E421 PolarHBondContact N-OE2 3.38Å; K418-E421 WeakPolarHBondContact O-CB 3.35Å; K418-E421 PolarHBondContact O-N 3.23Å | ||
| 419 | A | 84.4 | Confident | 84.9 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 66% | 0.661 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 132.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | E421 | A419-E421 VanDerWaalsContact C-N 3.32Š|
| 420 | G | 84.1 | Confident | 85.5 | Confident | 59 Ų | 59 | 64 Ų | 64 | 61% | 0.608 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -11.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V380 K418 | V380-G420 PolarHBondContact O-N 3.4Å; K418-G420 PolarHBondContact O-N 3.04Å |
| 421 | E | 88.7 | Confident | 85.5 | Confident | 81 Ų | 81 | 63.5 Ų | 63.5 | 38% | 0.379 | 32% | 0.324 | S | S | . | . | trans | -67.4 | 146.8 | -179.7 | -167.3 | 175.1 | 170.3 | 0 | 0 | 112.3 | T379 V380 K418 A419 | T379-E421 CarbonylContact C-O 3.57Å; T379-E421 VanDerWaalsContact CA-O 3.31Å; T379-E421 WeakPolarHBondContact CA-O 3.3Å; V380-E421 HydrophobicContact CG2-CB 4.42Å; V380-E421 PolarHBondContact N-O 3.38Å; K418-E421 HydrophobicContact CB-CB 4.43Å; K418-E421 PolarHBondContact N-OE2 3.38Å; K418-E421 WeakPolarHBondContact O-CB 3.35Å; K418-E421 PolarHBondContact O-N 3.23Å; A419-E421 VanDerWaalsContact C-N 3.32Å | ||
| 422 | K | 90 | Very high | 85.4 | Confident | 160 Ų | 160 | 59.2 Ų | 59.2 | 70% | 0.696 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114.9 | 174.5 | -78.3 | -175.6 | 175.9 | -174.8 | 0 | 110.5 | T379 | T379-K422 HydrophobicContact CG2-CG 3.75Å |
| 423 | V | 90.5 | Very high | 84.5 | Confident | 14 Ų | 14 | 62.8 Ų | 62.8 | 9% | 0.085 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 137.7 | -179.3 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | A378 V380 F417 A441 | A378-V423 PolarHBondContact N-O 3.24Å; A378-V423 PolarHBondContact O-N 2.85Å; V380-V423 HydrophobicContact CG2-CG2 3.7Å; F417-V423 HydrophobicContact CD1-CG1 4.13Å; F417-V423 HydrophobicContact CD1-CG2 3.86Å; F417-V423 HydrophobicContact CE1-CG1 3.9Å; F417-V423 HydrophobicContact CE1-CG2 4.45Å; V423-A441 HydrophobicContact CG1-CB 3.98Å |
| 424 | S | 91.4 | Very high | 83.6 | Confident | 67 Ų | 67 | 63.8 Ų | 63.8 | 47% | 0.469 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.1 | 169.9 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 425 | C | 92.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 156.7 | -171.6 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | K375 V376 L439 T440 | K375-C425 CarbonylContact C-O 3.54Å; K375-C425 WeakPolarHBondContact CA-O 3.31Å; V376-C425 HydrophobicContact CG2-CB 4.12Å; V376-C425 PolarHBondContact N-O 3.19Å; V376-C425 PolarHBondContact O-N 2.86Å; C425-L439 HydrophobicContact CB-CB 4.31Å; C425-L439 HydrophobicContact CB-CD1 4.42Å; C425-T440 WeakPolarHBondContact CA-O 3.44Å |
| 426 | L | 92.1 | Very high | 83.2 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.2 | 168.8 | -168.2 | 80.9 | 0 | 0 | 0 | 109.4 | G373 K375 L428 L439 T440 L446 I452 L489 | G373-L426 WeakPolarHBondContact O-CD1 3.44Å; K375-L426 HydrophobicContact CG-CD1 3.64Å; L426-L428 PolarHBondContact O-N 3.22Å; L426-L439 CarbonylContact O-C 3.59Å; L426-L439 VanDerWaalsContact O-CA 3.32Å; L426-L439 WeakPolarHBondContact O-CA 3.43Å; L426-T440 HydrophobicContact CB-CG2 3.8Å; L426-T440 HydrophobicContact CD2-CG2 4.25Å; L426-T440 PolarHBondContact N-O 3.29Å; L426-T440 PolarHBondContact O-N 2.98Å; L426-L446 HydrophobicContact CB-CD1 4.29Å; L426-I452 HydrophobicContact CD2-CD1 3.48Å; L426-I452 VanDerWaalsContact CD2-CD1 3.48Å; L426-L489 HydrophobicContact CD2-CD2 4.16Å |
| 427 | V | 91.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 115.2 | 171.6 | 180 | 0 | 0 | 0 | 0 | 109.4 | K371 G373 N374 V376 L437 L439 L489 | K371-V427 WeakPolarHBondContact O-CB 3.41Å; G373-V427 PolarHBondContact N-O 2.63Å; N374-V427 HydrophobicContact CB-CB 4.49Å; N374-V427 HydrophobicContact CB-CG2 4.04Å; N374-V427 PolarHBondContact O-N 3.17Å; V376-V427 HydrophobicContact CG1-CG2 4.18Å; V376-V427 HydrophobicContact CG2-CG2 4.16Å; V427-L437 HydrophobicContact CG1-CD1 3.77Å; V427-L437 HydrophobicContact CG2-CD1 4.27Å; V427-L439 HydrophobicContact CB-CD2 4.3Å; V427-L439 HydrophobicContact CG2-CD2 3.87Å; V427-L489 WeakPolarHBondContact O-CD2 3.39Å |
| 428 | L | 90.3 | Very high | 83.8 | Confident | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -49.5 | -176.5 | -170 | 80.5 | 0 | 0 | 0 | 111.7 | L426 I438 T440 F475 L489 D490 | L426-L428 PolarHBondContact O-N 3.22Å; L428-I438 HydrophobicContact CB-CG2 4.41Å; L428-I438 WeakPolarHBondContact CB-O 3.26Å; L428-I438 HydrophobicContact CD2-CG2 4.04Å; L428-I438 PolarHBondContact N-O 3.45Å; L428-T440 HydrophobicContact CB-CG2 4.44Å; L428-T440 HydrophobicContact CD1-CG2 3.95Å; L428-F475 HydrophobicContact CD1-CE1 3.91Å; L428-F475 HydrophobicContact CD1-CZ 4.3Å; L428-F475 HydrophobicContact CD2-CZ 4.23Å; L428-L489 HydrophobicContact CD1-CD2 4.46Å; L428-D490 PolarHBondContact O-N 2.7Å |
| 429 | Q | 87.4 | Confident | 84.2 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 16% | 0.164 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 142.8 | 178.6 | -177.1 | -169.1 | -8 | 0 | 0 | 109.3 | I438 N491 | Q429-I438 HydrophobicContact CB-CB 4.18Å; Q429-I438 PolarHBondContact N-O 2.73Å; Q429-I438 PolarHBondContact O-N 3.07Å; Q429-N491 PolarHBondContact NE2-ND2 3.14Å; Q429-N491 PolarHBondContact OE1-ND2 2.84Å |
| 430 | L | 85.8 | Confident | 84.5 | Confident | 22 Ų | 22 | 46.8 Ų | 46.8 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.8 | 171 | -169.8 | 72.2 | 0 | 0 | 0 | 108.6 | L367 L370 E432 L437 | L367-L430 HydrophobicContact CB-CD1 4.18Å; L367-L430 HydrophobicContact CD1-CD1 4.19Å; L367-L430 HydrophobicContact CD2-CD1 4.04Å; L367-L430 HydrophobicContact CG-CD1 4.37Å; L370-L430 WeakPolarHBondContact O-CD2 3.04Å; L430-E432 HydrophobicContact CD2-CG 3.79Å; L430-E432 HydrophobicContact CG-CG 4.01Å; L430-L437 HydrophobicContact CD1-CD1 3.81Å |
| 431 | D | 77.9 | Confident | 84.9 | Confident | 51 Ų | 51 | 44.4 Ų | 44.4 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 97 | 170.2 | 168 | 3.4 | 0 | 0 | 0 | 107.1 | C433 A434 N435 K436 | D431-C433 VanDerWaalsContact C-N 3.33Å; D431-C433 PolarHBondContact OD1-N 3.4Å; D431-A434 PolarHBondContact OD1-N 3.02Å; D431-A434 WeakPolarHBondContact OD2-CB 3.43Å; D431-N435 CarbonylContact O-C 3.58Å; D431-N435 WeakPolarHBondContact O-CA 3.49Å; D431-N435 PolarHBondContact O-N 3.32Å; D431-N435 VanDerWaalsContact O-N 3.08Å; D431-K436 HydrophobicContact CB-CB 4.15Å; D431-K436 PolarHBondContact N-O 3.48Å; D431-K436 PolarHBondContact O-N 3.48Å |
| 432 | E | 71.2 | Confident | 85 | Confident | 98 Ų | 98 | 40.5 Ų | 40.5 | 46% | 0.458 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -34.8 | -174.8 | -59.8 | -178.2 | -166.9 | 0 | 0 | 111.6 | H368 L430 N435 | H368-E432 IonicContact CE1-OE2 3.36Å; H368-E432 PolarHBondContact CE1-OE2 3.06Å; H368-E432 IonicContact CG-OE2 3.83Å; H368-E432 IonicContact ND1-OE2 2.72Å; H368-E432 PolarHBondContact ND1-OE2 2.99Å; L430-E432 HydrophobicContact CD2-CG 3.79Å; L430-E432 HydrophobicContact CG-CG 4.01Å; E432-N435 PolarHBondContact O-N 2.85Å |
| 433 | C | 62.1 | Low | 85 | Confident | 103 Ų | 103 | 35.5 Ų | 35.5 | 70% | 0.696 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -45.7 | -179.5 | -62 | 0 | 0 | 0 | 0 | 111.7 | D431 N435 | D431-C433 VanDerWaalsContact C-N 3.33Å; D431-C433 PolarHBondContact OD1-N 3.4Å; C433-N435 VanDerWaalsContact C-N 3.28Å |
| 434 | A | 63.8 | Low | 84.8 | Confident | 48 Ų | 48 | 36.1 Ų | 36.1 | 40% | 0.397 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 1.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D431 K436 | D431-A434 PolarHBondContact OD1-N 3.02Å; D431-A434 WeakPolarHBondContact OD2-CB 3.43Å; A434-K436 HydrophobicContact CB-CB 4.42Å; A434-K436 HydrophobicContact CB-CD 3.74Å; A434-K436 HydrophobicContact CB-CG 3.83Å; A434-K436 PolarHBondContact O-N 3.06Å |
| 435 | N | 70.6 | Confident | 84.7 | Confident | 122 Ų | 122 | 33 Ų | 33 | 65% | 0.652 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 37.4 | -173.5 | -169.6 | 41 | 0 | 0 | 0 | 112.6 | L367 D431 E432 C433 | L367-N435 HydrophobicContact CD1-CB 4.48Å; L367-N435 WeakPolarHBondContact CD1-OD1 3.44Å; D431-N435 CarbonylContact O-C 3.58Å; D431-N435 WeakPolarHBondContact O-CA 3.49Å; D431-N435 PolarHBondContact O-N 3.32Å; D431-N435 VanDerWaalsContact O-N 3.08Å; E432-N435 PolarHBondContact O-N 2.85Å; C433-N435 VanDerWaalsContact C-N 3.28Å |
| 436 | K | 80.1 | Confident | 84.5 | Confident | 66 Ų | 66 | 34 Ų | 34 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 124.9 | -177.3 | -73.2 | 173.9 | 177.8 | 177.2 | 0 | 110.6 | D431 A434 L1695 | D431-K436 HydrophobicContact CB-CB 4.15Å; D431-K436 PolarHBondContact N-O 3.48Å; D431-K436 PolarHBondContact O-N 3.48Å; A434-K436 HydrophobicContact CB-CB 4.42Å; A434-K436 HydrophobicContact CB-CD 3.74Å; A434-K436 HydrophobicContact CB-CG 3.83Å; A434-K436 PolarHBondContact O-N 3.06Å; K436-L1695 PolarHBondContact NZ-O 2.95Å |
| 437 | L | 89.9 | Confident | 84.3 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.7 | 171.8 | 175.3 | 66.4 | 0 | 0 | 0 | 109.5 | L367 L370 L392 I396 G398 L399 V427 L430 L439 | L367-L437 HydrophobicContact CD2-CB 4.05Å; L367-L437 HydrophobicContact CD2-CD2 4.23Å; L370-L437 HydrophobicContact CD1-CD1 3.91Å; L370-L437 HydrophobicContact CD1-CD2 3.7Å; L370-L437 HydrophobicContact CD1-CG 4.46Å; L392-L437 HydrophobicContact CD1-CD2 3.97Å; L392-L437 HydrophobicContact CD2-CD2 3.74Å; L392-L437 HydrophobicContact CG-CD2 4.49Å; I396-L437 HydrophobicContact CG2-CD2 3.59Å; G398-L437 CarbonylContact C-O 3.55Å; G398-L437 VanDerWaalsContact CA-O 3.25Å; G398-L437 WeakPolarHBondContact CA-O 3.5Å; L399-L437 PolarHBondContact N-O 2.87Å; V427-L437 HydrophobicContact CG1-CD1 3.77Å; V427-L437 HydrophobicContact CG2-CD1 4.27Å; L430-L437 HydrophobicContact CD1-CD1 3.81Å; L437-L439 HydrophobicContact CD1-CD2 3.86Å; L437-L439 HydrophobicContact CD2-CD2 4.06Å; L437-L439 HydrophobicContact CG-CD2 3.75Å; L437-L439 HydrophobicContact CG-CG 4.16Å |
| 438 | I | 91 | Very high | 83.9 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 20% | 0.2 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.7 | 177.2 | -54.3 | -175.9 | 0 | 0 | 0 | 109.3 | L399 P401 L428 Q429 | L399-I438 WeakPolarHBondContact O-CA 3.28Å; P401-I438 HydrophobicContact CG-CG2 3.81Å; L428-I438 HydrophobicContact CB-CG2 4.41Å; L428-I438 WeakPolarHBondContact CB-O 3.26Å; L428-I438 HydrophobicContact CD2-CG2 4.04Å; L428-I438 PolarHBondContact N-O 3.45Å; Q429-I438 HydrophobicContact CB-CB 4.18Å; Q429-I438 PolarHBondContact N-O 2.73Å; Q429-I438 PolarHBondContact O-N 3.07Å |
| 439 | L | 93.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 160.1 | -172.4 | -55.2 | 175.9 | 0 | 0 | 0 | 111 | V376 V390 L392 L399 I400 P401 C425 L426 V427 L437 | V376-L439 HydrophobicContact CG2-CD2 4.21Å; V390-L439 HydrophobicContact CG2-CD1 3.51Å; L392-L439 HydrophobicContact CD1-CD1 3.7Å; L399-L439 PolarHBondContact O-N 3.46Å; I400-L439 HydrophobicContact CG1-CB 3.87Å; P401-L439 WeakPolarHBondContact CD-O 3.44Å; C425-L439 HydrophobicContact CB-CB 4.31Å; C425-L439 HydrophobicContact CB-CD1 4.42Å; L426-L439 CarbonylContact O-C 3.59Å; L426-L439 VanDerWaalsContact O-CA 3.32Å; L426-L439 WeakPolarHBondContact O-CA 3.43Å; V427-L439 HydrophobicContact CB-CD2 4.3Å; V427-L439 HydrophobicContact CG2-CD2 3.87Å; L437-L439 HydrophobicContact CD1-CD2 3.86Å; L437-L439 HydrophobicContact CD2-CD2 4.06Å; L437-L439 HydrophobicContact CG-CD2 3.75Å; L437-L439 HydrophobicContact CG-CG 4.16Å |
| 440 | T | 91.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.2 | 171.4 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | H404 C425 L426 L428 L445 | H404-T440 PolarHBondContact ND1-OG1 2.9Å; H404-T440 VanDerWaalsContact ND1-OG1 3.15Å; H404-T440 PolarHBondContact O-OG1 3.12Å; C425-T440 WeakPolarHBondContact CA-O 3.44Å; L426-T440 HydrophobicContact CB-CG2 3.8Å; L426-T440 HydrophobicContact CD2-CG2 4.25Å; L426-T440 PolarHBondContact N-O 3.29Å; L426-T440 PolarHBondContact O-N 2.98Å; L428-T440 HydrophobicContact CB-CG2 4.44Å; L428-T440 HydrophobicContact CD1-CG2 3.95Å; T440-L445 HydrophobicContact CG2-CB 4.27Å; T440-L445 HydrophobicContact CG2-CD1 4.14Å |
| 441 | A | 91.5 | Very high | 83.6 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | trans | -107.2 | -1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I400 H404 T405 F417 V423 P443 | I400-A441 HydrophobicContact CD1-CB 4.33Å; I400-A441 HydrophobicContact CG2-CB 4.3Å; H404-A441 PolarHBondContact O-N 2.91Å; T405-A441 CarbonylContact O-C 3.45Å; F417-A441 HydrophobicContact CE1-CB 4.27Å; F417-A441 HydrophobicContact CZ-CB 4.45Å; V423-A441 HydrophobicContact CG1-CB 3.98Å; A441-P443 VanDerWaalsContact O-CD 3.3Å; A441-P443 WeakPolarHBondContact O-CD 3.05Å | ||
| 442 | K | 90.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -49.4 | 116.3 | 174.3 | -87 | -176.7 | 159.2 | 171.9 | 0 | 113 | L403 H404 T406 D407 G444 L445 L446 G516 V518 | L403-K442 WeakPolarHBondContact O-CE 3.37Å; L403-K442 PolarHBondContact O-NZ 3.29Å; H404-K442 PolarHBondContact O-N 2.78Å; H404-K442 VanDerWaalsContact O-N 3.13Å; T406-K442 VanDerWaalsContact C-CE 3.48Å; T406-K442 WeakPolarHBondContact O-CE 3.21Å; D407-K442 WeakPolarHBondContact OD1-CB 3.42Å; D407-K442 WeakPolarHBondContact OD1-CG 3.43Å; K442-G444 VanDerWaalsContact C-N 3.27Å; K442-G444 PolarHBondContact O-N 3.41Å; K442-L445 HydrophobicContact CB-CB 4.33Å; K442-L445 HydrophobicContact CB-CD1 4.34Å; K442-L445 HydrophobicContact CB-CG 4.4Å; K442-L445 HydrophobicContact CD-CD1 4.44Å; K442-L445 PolarHBondContact O-N 3.46Å; K442-L446 WeakPolarHBondContact O-CB 3.25Å; K442-L446 PolarHBondContact O-N 3.02Å; K442-G516 PolarHBondContact NZ-O 2.99Å; K442-V518 HydrophobicContact CD-CG2 3.93Å | ||
| 443 | P | 89.2 | Confident | 85 | Confident | 54 Ų | 54 | 43.4 Ų | 43.4 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -50.6 | -43.3 | 174.2 | -29.4 | 35 | 0 | 0 | 0 | 113.6 | D407 A441 L445 L446 N447 | D407-P443 WeakPolarHBondContact OD2-CB 3.29Å; D407-P443 WeakPolarHBondContact OD2-CD 3.17Å; A441-P443 VanDerWaalsContact O-CD 3.3Å; A441-P443 WeakPolarHBondContact O-CD 3.05Å; P443-L445 PolarHBondContact O-N 2.94Å; P443-L445 VanDerWaalsContact O-N 3.1Å; P443-L446 PolarHBondContact O-N 2.98Å; P443-N447 WeakPolarHBondContact O-CB 3.37Å; P443-N447 PolarHBondContact O-N 3.38Å |
| 444 | G | 87 | Confident | 86 | Confident | 27 Ų | 27 | 39 Ų | 39 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.3 | -11 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | D407 K442 | D407-G444 PolarHBondContact OD1-N 3.33Å; D407-G444 PolarHBondContact OD2-N 2.9Å; K442-G444 VanDerWaalsContact C-N 3.27Å; K442-G444 PolarHBondContact O-N 3.41Å |
| 445 | L | 89.8 | Confident | 87 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -111.9 | -31.8 | 171.2 | -65.5 | 174.9 | 0 | 0 | 0 | 112.4 | T440 K442 P443 I452 V473 F475 V518 | T440-L445 HydrophobicContact CG2-CB 4.27Å; T440-L445 HydrophobicContact CG2-CD1 4.14Å; K442-L445 HydrophobicContact CB-CB 4.33Å; K442-L445 HydrophobicContact CB-CD1 4.34Å; K442-L445 HydrophobicContact CB-CG 4.4Å; K442-L445 HydrophobicContact CD-CD1 4.44Å; K442-L445 PolarHBondContact O-N 3.46Å; P443-L445 PolarHBondContact O-N 2.94Å; P443-L445 VanDerWaalsContact O-N 3.1Å; L445-I452 HydrophobicContact CD2-CG2 4.47Å; L445-I452 VanDerWaalsContact O-CD1 3.31Å; L445-I452 WeakPolarHBondContact O-CD1 3.47Å; L445-V473 HydrophobicContact CD2-CG1 3.81Å; L445-F475 HydrophobicContact CD1-CD1 4.22Å; L445-V518 HydrophobicContact CD1-CG2 4.4Å; L445-V518 HydrophobicContact CD2-CG1 4.07Å; L445-V518 HydrophobicContact CG-CG1 4.38Å; L445-V518 HydrophobicContact CG-CG2 4.09Å |
| 446 | L | 87.4 | Confident | 87.6 | Confident | 19 Ų | 19 | 38.6 Ų | 38.6 | 10% | 0.099 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.8 | -36.6 | 179.1 | -170 | 75 | 0 | 0 | 0 | 112.2 | K375 L426 K442 P443 | K375-L446 WeakPolarHBondContact CE-O 3.37Å; K375-L446 PolarHBondContact NZ-O 2.96Å; L426-L446 HydrophobicContact CB-CD1 4.29Å; K442-L446 WeakPolarHBondContact O-CB 3.25Å; K442-L446 PolarHBondContact O-N 3.02Å; P443-L446 PolarHBondContact O-N 2.98Å |
| 447 | N | 86.9 | Confident | 87.7 | Confident | 116 Ų | 116 | 40.9 Ų | 40.9 | 62% | 0.62 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 25.8 | -174.4 | -57.9 | -6 | 0 | 0 | 0 | 111.6 | P443 E449 | P443-N447 WeakPolarHBondContact O-CB 3.37Å; P443-N447 PolarHBondContact O-N 3.38Å; N447-E449 PolarHBondContact O-N 2.82Å |
| 448 | A | 83.5 | Confident | 87.5 | Confident | 33 Ų | 33 | 40.7 Ų | 40.7 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | trans | -68.2 | 124.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L450 I452 | A448-L450 VanDerWaalsContact C-N 3.29Å; A448-I452 HydrophobicContact CB-CG1 4.24Å | ||
| 449 | E | 83.4 | Confident | 87.1 | Confident | 175 Ų | 175 | 42.7 Ų | 42.7 | 82% | 0.818 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -77.7 | -17 | 171.8 | -58 | 164 | 146.9 | 0 | 0 | 112.5 | N447 | N447-E449 PolarHBondContact O-N 2.82Š|
| 450 | L | 87.3 | Confident | 86.5 | Confident | 45 Ų | 45 | 44.7 Ų | 44.7 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -106.5 | 147.2 | -177.7 | -66.4 | 175.3 | 0 | 0 | 0 | 110.2 | A448 I452 L471 V473 K520 | A448-L450 VanDerWaalsContact C-N 3.29Å; L450-I452 PolarHBondContact O-N 2.98Å; L450-L471 HydrophobicContact CD1-CB 4.12Å; L450-L471 HydrophobicContact CD2-CB 4.28Å; L450-V473 HydrophobicContact CB-CG2 3.89Å; L450-V473 HydrophobicContact CD1-CG2 4.23Å; L450-K520 HydrophobicContact CD1-CD 3.88Å; L450-K520 HydrophobicContact CD1-CG 4.08Å |
| 451 | P | 86.6 | Confident | 86.1 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -50.3 | 128.7 | 176.9 | -29.9 | 36.8 | 0 | 0 | 0 | 113.1 | E457 M458 L470 I472 V473 | P451-E457 HydrophobicContact CB-CB 4.05Å; P451-E457 HydrophobicContact CG-CB 4.17Å; P451-M458 HydrophobicContact CB-CB 4.32Å; P451-L470 HydrophobicContact CG-CD1 4.44Å; P451-I472 HydrophobicContact CB-CG2 4.38Å; P451-I472 CarbonylContact O-C 3.5Å; P451-I472 WeakPolarHBondContact O-CA 3.16Å; P451-I472 WeakPolarHBondContact O-CB 3.21Å; P451-V473 PolarHBondContact O-N 2.89Å |
| 452 | I | 88.8 | Confident | 85.3 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 11% | 0.108 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 139.2 | 177.1 | -56.5 | 174.4 | 0 | 0 | 0 | 108.3 | L426 L445 A448 L450 G454 S455 L489 | L426-I452 HydrophobicContact CD2-CD1 3.48Å; L426-I452 VanDerWaalsContact CD2-CD1 3.48Å; L445-I452 HydrophobicContact CD2-CG2 4.47Å; L445-I452 VanDerWaalsContact O-CD1 3.31Å; L445-I452 WeakPolarHBondContact O-CD1 3.47Å; A448-I452 HydrophobicContact CB-CG1 4.24Å; L450-I452 PolarHBondContact O-N 2.98Å; I452-G454 PolarHBondContact O-N 2.68Å; I452-S455 WeakPolarHBondContact O-CB 3.4Å; I452-S455 PolarHBondContact O-N 3.37Å; I452-S455 PolarHBondContact O-OG 3.06Å; I452-L489 HydrophobicContact CG2-CD1 4.31Å; I452-L489 HydrophobicContact CG2-CG 4.01Å |
| 453 | F | 90.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 123.2 | 177.3 | -177.1 | -134.9 | 0 | 0 | 0 | 110.1 | M458 I472 V473 I486 G488 L489 I492 Y546 L548 | F453-M458 HydrophobicContact CD2-SD 3.6Å; F453-M458 HydrophobicContact CE2-SD 4.19Å; F453-I472 HydrophobicContact CB-CD1 4.08Å; F453-I472 HydrophobicContact CD2-CD1 3.51Å; F453-I472 HydrophobicContact CE2-CD1 4.27Å; F453-I472 HydrophobicContact CG-CD1 4.02Å; F453-V473 WeakPolarHBondContact CB-O 3.37Å; F453-V473 PolarHBondContact N-O 2.84Å; F453-I486 HydrophobicContact CD1-CG2 4.07Å; F453-I486 HydrophobicContact CE1-CG2 4.36Å; F453-G488 CarbonylContact O-C 3.51Å; F453-G488 WeakPolarHBondContact O-CA 3.31Å; F453-L489 PolarHBondContact O-N 3.2Å; F453-I492 HydrophobicContact CE1-CG2 4.12Å; F453-I492 VanDerWaalsContact CE1-O 3.24Å; F453-I492 WeakPolarHBondContact CE1-O 3.39Å; F453-I492 HydrophobicContact CE2-CG2 4.15Å; F453-I492 HydrophobicContact CZ-CG2 3.78Å; F453-Y546 AromaticContact CE2-CD2 3.8Å; F453-Y546 HydrophobicContact CE2-CD2 3.8Å; F453-Y546 HydrophobicContact CE2-CG 4.06Å; F453-Y546 AromaticContact CZ-CD2 3.8Å; F453-Y546 HydrophobicContact CZ-CD2 3.8Å; F453-Y546 HydrophobicContact CZ-CG 4.24Å; F453-L548 HydrophobicContact CD2-CD1 4.37Å; F453-L548 HydrophobicContact CE1-CD1 4.2Å; F453-L548 HydrophobicContact CE2-CD1 4.02Å; F453-L548 HydrophobicContact CE2-CD2 4.47Å; F453-L548 HydrophobicContact CZ-CD1 3.93Å |
| 454 | G | 83.7 | Confident | 83.6 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 11% | 0.113 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 3.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116 | I452 M458 | I452-G454 PolarHBondContact O-N 2.68Å; G454-M458 PolarHBondContact N-SD 2.8Å |
| 455 | S | 84.9 | Confident | 82.5 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -74.7 | 161.3 | 174.9 | 88 | 0 | 0 | 0 | 0 | 112.6 | I452 E457 M458 Y459 | I452-S455 WeakPolarHBondContact O-CB 3.4Å; I452-S455 PolarHBondContact O-N 3.37Å; I452-S455 PolarHBondContact O-OG 3.06Å; S455-E457 VanDerWaalsContact CB-OE2 3.25Å; S455-E457 WeakPolarHBondContact CB-OE2 3.42Å; S455-E457 PolarHBondContact O-N 3.27Å; S455-E457 PolarHBondContact OG-N 2.99Å; S455-E457 VanDerWaalsContact OG-N 3.13Å; S455-E457 PolarHBondContact OG-OE2 2.96Å; S455-M458 WeakPolarHBondContact O-CB 3.21Å; S455-M458 PolarHBondContact O-N 3.22Å; S455-M458 PolarHBondContact OG-N 2.97Å; S455-Y459 VanDerWaalsContact O-CD2 3.22Å; S455-Y459 WeakPolarHBondContact O-CD2 3.22Å; S455-Y459 PolarHBondContact O-N 3.49Å; S455-Y459 VanDerWaalsContact O-N 3.16Å |
| 456 | H | 83 | Confident | 81.1 | Confident | 153 Ų | 153 | 64.1 Ų | 64.1 | 71% | 0.708 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.2 | -34.7 | 170.8 | -173.5 | -77.8 | 0 | 0 | 0 | 111.7 | M458 Y459 S460 | H456-M458 VanDerWaalsContact C-N 3.35Å; H456-M458 PolarHBondContact O-N 2.87Å; H456-Y459 PolarHBondContact O-N 3.14Å; H456-S460 PolarHBondContact CE1-OG 3.27Å; H456-S460 VanDerWaalsContact CE1-OG 3.3Å; H456-S460 PolarHBondContact ND1-OG 3.48Å; H456-S460 WeakPolarHBondContact O-CB 3.17Å; H456-S460 PolarHBondContact O-N 3.39Å; H456-S460 PolarHBondContact O-OG 2.7Å |
| 457 | E | 82.7 | Confident | 79.8 | Confident | 114 Ų | 114 | 66.6 Ų | 66.6 | 53% | 0.533 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 178 | -49.2 | 124.2 | 159.3 | 0 | 0 | 111.2 | P451 S455 S460 A461 | P451-E457 HydrophobicContact CB-CB 4.05Å; P451-E457 HydrophobicContact CG-CB 4.17Å; S455-E457 VanDerWaalsContact CB-OE2 3.25Å; S455-E457 WeakPolarHBondContact CB-OE2 3.42Å; S455-E457 PolarHBondContact O-N 3.27Å; S455-E457 PolarHBondContact OG-N 2.99Å; S455-E457 VanDerWaalsContact OG-N 3.13Å; S455-E457 PolarHBondContact OG-OE2 2.96Å; E457-S460 PolarHBondContact O-N 2.79Å; E457-A461 WeakPolarHBondContact O-CB 3.36Å; E457-A461 PolarHBondContact O-N 3Å |
| 458 | M | 85.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 172.9 | -177.9 | -162.2 | 76.1 | 0 | 0 | 110.7 | P451 F453 G454 S455 H456 S460 A461 L462 L470 I472 | P451-M458 HydrophobicContact CB-CB 4.32Å; F453-M458 HydrophobicContact CD2-SD 3.6Å; F453-M458 HydrophobicContact CE2-SD 4.19Å; G454-M458 PolarHBondContact N-SD 2.8Å; S455-M458 WeakPolarHBondContact O-CB 3.21Å; S455-M458 PolarHBondContact O-N 3.22Å; S455-M458 PolarHBondContact OG-N 2.97Å; H456-M458 VanDerWaalsContact C-N 3.35Å; H456-M458 PolarHBondContact O-N 2.87Å; M458-S460 VanDerWaalsContact C-N 3.34Å; M458-S460 PolarHBondContact O-N 2.86Å; M458-A461 PolarHBondContact O-N 2.89Å; M458-L462 HydrophobicContact CE-CD1 4.18Å; M458-L462 HydrophobicContact CG-CD1 4.1Å; M458-L462 WeakPolarHBondContact O-CG 3.16Å; M458-L462 PolarHBondContact O-N 2.86Å; M458-L470 HydrophobicContact CG-CD2 4.19Å; M458-I472 HydrophobicContact CB-CG2 4.48Å; M458-I472 HydrophobicContact CG-CG2 3.94Å; M458-I472 HydrophobicContact SD-CG2 4.42Å |
| 459 | Y | 82.3 | Confident | 77.7 | Confident | 81 Ų | 81 | 72.8 Ų | 72.8 | 32% | 0.318 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 179.3 | -73.7 | -63.6 | 0 | 0 | 0 | 113 | S455 H456 K463 I492 | S455-Y459 VanDerWaalsContact O-CD2 3.22Å; S455-Y459 WeakPolarHBondContact O-CD2 3.22Å; S455-Y459 PolarHBondContact O-N 3.49Å; S455-Y459 VanDerWaalsContact O-N 3.16Å; H456-Y459 PolarHBondContact O-N 3.14Å; Y459-K463 WeakPolarHBondContact O-CB 3.42Å; Y459-K463 WeakPolarHBondContact O-CG 3.17Å; Y459-K463 PolarHBondContact O-N 3.24Å; Y459-I492 HydrophobicContact CE2-CD1 4.26Å; Y459-I492 WeakPolarHBondContact OH-CD1 3.47Å |
| 460 | S | 81.1 | Confident | 77.7 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 169.8 | -72.6 | 0 | 0 | 0 | 0 | 112.1 | H456 E457 M458 L462 K463 N464 | H456-S460 PolarHBondContact CE1-OG 3.27Å; H456-S460 VanDerWaalsContact CE1-OG 3.3Å; H456-S460 PolarHBondContact ND1-OG 3.48Å; H456-S460 WeakPolarHBondContact O-CB 3.17Å; H456-S460 PolarHBondContact O-N 3.39Å; H456-S460 PolarHBondContact O-OG 2.7Å; E457-S460 PolarHBondContact O-N 2.79Å; M458-S460 VanDerWaalsContact C-N 3.34Å; M458-S460 PolarHBondContact O-N 2.86Å; S460-L462 VanDerWaalsContact C-N 3.35Å; S460-L462 PolarHBondContact O-N 2.94Å; S460-K463 PolarHBondContact O-N 2.81Å; S460-N464 WeakPolarHBondContact O-CB 3.23Å; S460-N464 PolarHBondContact O-N 3.1Å; S460-N464 PolarHBondContact O-OD1 3.46Å |
| 461 | A | 81.8 | Confident | 77.7 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.4 | -34.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E457 M458 N464 N466 L470 | E457-A461 WeakPolarHBondContact O-CB 3.36Å; E457-A461 PolarHBondContact O-N 3Å; M458-A461 PolarHBondContact O-N 2.89Å; A461-N464 PolarHBondContact O-N 3.1Å; A461-N466 PolarHBondContact O-N 3.18Å; A461-L470 HydrophobicContact CB-CD1 3.71Å; A461-L470 HydrophobicContact CB-CD2 3.96Å; A461-L470 HydrophobicContact CB-CG 4.45Å |
| 462 | L | 76.4 | Confident | 77.9 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 15% | 0.147 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 171.6 | -69.3 | 170.8 | 0 | 0 | 0 | 111.7 | M458 S460 N464 G465 N467 L470 F523 | M458-L462 HydrophobicContact CE-CD1 4.18Å; M458-L462 HydrophobicContact CG-CD1 4.1Å; M458-L462 WeakPolarHBondContact O-CG 3.16Å; M458-L462 PolarHBondContact O-N 2.86Å; S460-L462 VanDerWaalsContact C-N 3.35Å; S460-L462 PolarHBondContact O-N 2.94Å; L462-N464 PolarHBondContact O-N 2.83Å; L462-G465 PolarHBondContact O-N 3.23Å; L462-N467 WeakPolarHBondContact CD2-OD1 3.35Å; L462-N467 PolarHBondContact O-OD1 3.1Å; L462-L470 HydrophobicContact CD2-CD2 3.74Å; L462-L470 HydrophobicContact CG-CD2 3.79Å; L462-F523 HydrophobicContact CD1-CE2 4.01Å; L462-F523 HydrophobicContact CD1-CZ 4.2Å; L462-F523 HydrophobicContact CD2-CD1 3.72Å; L462-F523 HydrophobicContact CD2-CD2 4.12Å; L462-F523 HydrophobicContact CD2-CE1 3.58Å; L462-F523 HydrophobicContact CD2-CE2 3.98Å; L462-F523 HydrophobicContact CD2-CG 3.99Å; L462-F523 HydrophobicContact CD2-CZ 3.72Å |
| 463 | K | 72.7 | Confident | 78.1 | Confident | 183 Ų | 183 | 64 Ų | 64 | 80% | 0.796 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.8 | -32.6 | 173.8 | -77.6 | 179.6 | 177.2 | -174.8 | 0 | 112.9 | Y459 S460 G465 | Y459-K463 WeakPolarHBondContact O-CB 3.42Å; Y459-K463 WeakPolarHBondContact O-CG 3.17Å; Y459-K463 PolarHBondContact O-N 3.24Å; S460-K463 PolarHBondContact O-N 2.81Å; K463-G465 PolarHBondContact O-N 3.27Å |
| 464 | N | 71.1 | Confident | 78.1 | Confident | 118 Ų | 118 | 64 Ų | 64 | 63% | 0.631 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 7.4 | 176 | -66.4 | -4.7 | 0 | 0 | 0 | 113.5 | S460 A461 L462 N466 | S460-N464 WeakPolarHBondContact O-CB 3.23Å; S460-N464 PolarHBondContact O-N 3.1Å; S460-N464 PolarHBondContact O-OD1 3.46Å; A461-N464 PolarHBondContact O-N 3.1Å; L462-N464 PolarHBondContact O-N 2.83Å; N464-N466 PolarHBondContact O-N 2.77Å |
| 465 | G | 62.8 | Low | 78.5 | Confident | 51 Ų | 51 | 63.9 Ų | 63.9 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 0.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | L462 K463 N467 | L462-G465 PolarHBondContact O-N 3.23Å; K463-G465 PolarHBondContact O-N 3.27Å; G465-N467 PolarHBondContact O-N 3.03Å |
| 466 | N | 60.8 | Low | 78.9 | Confident | 97 Ų | 97 | 63.5 Ų | 63.5 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | trans | -77 | 28.4 | -173.3 | -96.1 | -18.1 | 0 | 0 | 0 | 115.2 | A461 N464 N468 Q469 L470 | A461-N466 PolarHBondContact O-N 3.18Å; N464-N466 PolarHBondContact O-N 2.77Å; N466-N468 PolarHBondContact O-N 3.36Å; N466-Q469 PolarHBondContact O-N 3.41Å; N466-Q469 VanDerWaalsContact O-N 3.1Å; N466-L470 WeakPolarHBondContact O-CB 3.41Å; N466-L470 PolarHBondContact O-N 3.09Å | ||
| 467 | N | 61.6 | Low | 79.1 | Confident | 72 Ų | 72 | 57.7 Ų | 57.7 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -32.1 | -171 | -64.7 | -14.1 | 0 | 0 | 0 | 114.4 | L462 G465 | L462-N467 WeakPolarHBondContact CD2-OD1 3.35Å; L462-N467 PolarHBondContact O-OD1 3.1Å; G465-N467 PolarHBondContact O-N 3.03Å |
| 468 | N | 57.5 | Low | 79.4 | Confident | 129 Ų | 129 | 58.4 Ų | 58.4 | 69% | 0.69 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -0.9 | -175.7 | -79.2 | -21 | 0 | 0 | 0 | 114.9 | N466 K522 | N466-N468 PolarHBondContact O-N 3.36Å; N468-K522 WeakPolarHBondContact O-CE 3.49Å; N468-K522 PolarHBondContact O-NZ 3.04Å |
| 469 | Q | 67.9 | Low | 79.7 | Confident | 150 Ų | 150 | 59.9 Ų | 59.9 | 70% | 0.701 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.8 | -12.5 | 178.7 | -70.3 | -171.6 | -5 | 0 | 0 | 114.6 | N466 L471 | N466-Q469 PolarHBondContact O-N 3.41Å; N466-Q469 VanDerWaalsContact O-N 3.1Å; Q469-L471 PolarHBondContact O-N 3.22Å; Q469-L471 VanDerWaalsContact O-N 3.12Å |
| 470 | L | 83.3 | Confident | 79.7 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | trans | -55.1 | 116.6 | -179.1 | 179.1 | 58 | 0 | 0 | 0 | 112.6 | P451 M458 A461 L462 N466 I472 F523 | P451-L470 HydrophobicContact CG-CD1 4.44Å; M458-L470 HydrophobicContact CG-CD2 4.19Å; A461-L470 HydrophobicContact CB-CD1 3.71Å; A461-L470 HydrophobicContact CB-CD2 3.96Å; A461-L470 HydrophobicContact CB-CG 4.45Å; L462-L470 HydrophobicContact CD2-CD2 3.74Å; L462-L470 HydrophobicContact CG-CD2 3.79Å; N466-L470 WeakPolarHBondContact O-CB 3.41Å; N466-L470 PolarHBondContact O-N 3.09Å; L470-I472 HydrophobicContact CD1-CG2 4.31Å; L470-I472 HydrophobicContact CD2-CG2 4.32Å; L470-I472 HydrophobicContact CG-CG2 4.04Å; L470-F523 HydrophobicContact CB-CB 4.3Å; L470-F523 HydrophobicContact CG-CB 4.5Å; L470-F523 PolarHBondContact O-N 2.86Å | ||
| 471 | L | 88 | Confident | 79.8 | Confident | 65 Ų | 65 | 61.6 Ų | 61.6 | 34% | 0.34 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 135.2 | 169.4 | -53.5 | -171.3 | 0 | 0 | 0 | 109.5 | L450 Q469 M521 K522 F552 | L450-L471 HydrophobicContact CD1-CB 4.12Å; L450-L471 HydrophobicContact CD2-CB 4.28Å; Q469-L471 PolarHBondContact O-N 3.22Å; Q469-L471 VanDerWaalsContact O-N 3.12Å; L471-M521 WeakPolarHBondContact CA-O 3.41Å; L471-K522 HydrophobicContact CD2-CB 4.02Å; L471-K522 HydrophobicContact CD2-CG 4.31Å; L471-F552 HydrophobicContact CD2-CD1 3.85Å; L471-F552 HydrophobicContact CD2-CE1 3.96Å |
| 472 | I | 91.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 162.4 | -179 | 50.7 | 166.2 | 0 | 0 | 0 | 110.8 | P451 F453 M458 L470 M521 L548 | P451-I472 HydrophobicContact CB-CG2 4.38Å; P451-I472 CarbonylContact O-C 3.5Å; P451-I472 WeakPolarHBondContact O-CA 3.16Å; P451-I472 WeakPolarHBondContact O-CB 3.21Å; F453-I472 HydrophobicContact CB-CD1 4.08Å; F453-I472 HydrophobicContact CD2-CD1 3.51Å; F453-I472 HydrophobicContact CE2-CD1 4.27Å; F453-I472 HydrophobicContact CG-CD1 4.02Å; M458-I472 HydrophobicContact CB-CG2 4.48Å; M458-I472 HydrophobicContact CG-CG2 3.94Å; M458-I472 HydrophobicContact SD-CG2 4.42Å; L470-I472 HydrophobicContact CD1-CG2 4.31Å; L470-I472 HydrophobicContact CD2-CG2 4.32Å; L470-I472 HydrophobicContact CG-CG2 4.04Å; I472-M521 HydrophobicContact CD1-CG 4.05Å; I472-M521 HydrophobicContact CG1-CG 3.7Å; I472-M521 WeakPolarHBondContact CG1-O 3.37Å; I472-M521 PolarHBondContact N-O 2.9Å; I472-M521 PolarHBondContact O-N 2.94Å; I472-L548 HydrophobicContact CD1-CD1 4.13Å; I472-L548 HydrophobicContact CD1-CD2 3.82Å |
| 473 | V | 91.6 | Very high | 80.3 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.036 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.6 | 173.4 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | L445 L450 P451 F453 V518 L519 K520 | L445-V473 HydrophobicContact CD2-CG1 3.81Å; L450-V473 HydrophobicContact CB-CG2 3.89Å; L450-V473 HydrophobicContact CD1-CG2 4.23Å; P451-V473 PolarHBondContact O-N 2.89Å; F453-V473 WeakPolarHBondContact CB-O 3.37Å; F453-V473 PolarHBondContact N-O 2.84Å; V473-V518 HydrophobicContact CG1-CG1 3.4Å; V473-L519 WeakPolarHBondContact CA-O 3.25Å; V473-K520 HydrophobicContact CG2-CG 4.09Å |
| 474 | G | 91.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 177.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V518 L519 | G474-V518 WeakPolarHBondContact O-CA 3.46Å; G474-L519 PolarHBondContact N-O 3.42Å; G474-L519 VanDerWaalsContact N-O 3.1Å; G474-L519 PolarHBondContact O-N 3.2Å |
| 475 | F | 92.1 | Very high | 82.1 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.6 | -177 | 64.8 | -81.3 | 0 | 0 | 0 | 113.1 | H404 L428 L445 V477 I486 S487 Q517 V518 | H404-F475 AromaticContact CE1-CD2 3.74Å; H404-F475 AromaticContact CE1-CE1 3.89Å; H404-F475 AromaticContact CE1-CE2 3.44Å; H404-F475 VanDerWaalsContact CE1-CE2 3.44Å; H404-F475 WeakPolarHBondContact CE1-CE2 3.25Å; H404-F475 AromaticContact CE1-CZ 3.53Å; H404-F475 AromaticContact NE2-CD2 3.94Å; H404-F475 AromaticContact NE2-CE2 3.4Å; H404-F475 WeakPolarHBondContact NE2-CE2 3.22Å; H404-F475 AromaticContact NE2-CZ 3.77Å; L428-F475 HydrophobicContact CD1-CE1 3.91Å; L428-F475 HydrophobicContact CD1-CZ 4.3Å; L428-F475 HydrophobicContact CD2-CZ 4.23Å; L445-F475 HydrophobicContact CD1-CD1 4.22Å; F475-V477 HydrophobicContact CD2-CG2 3.77Å; F475-V477 HydrophobicContact CE2-CG2 3.47Å; F475-V477 VanDerWaalsContact CE2-CG2 3.47Å; F475-V477 HydrophobicContact CZ-CG2 4.37Å; F475-I486 WeakPolarHBondContact O-CA 3.43Å; F475-S487 WeakPolarHBondContact CD1-O 3.47Å; F475-S487 VanDerWaalsContact CE1-O 3.29Å; F475-S487 WeakPolarHBondContact CE1-O 3.46Å; F475-S487 PolarHBondContact N-O 3.22Å; F475-S487 VanDerWaalsContact N-O 3.07Å; F475-S487 PolarHBondContact O-N 2.97Å; F475-Q517 VanDerWaalsContact CA-O 3.28Å; F475-Q517 WeakPolarHBondContact CA-O 3.3Å; F475-V518 HydrophobicContact CB-CG2 4.44Å |
| 476 | I | 91.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 132.1 | -178.9 | -51.5 | -177.4 | 0 | 0 | 0 | 110.5 | V479 L484 I486 F513 G516 Q517 L519 | I476-V479 HydrophobicContact CG2-CG2 3.81Å; I476-L484 HydrophobicContact CD1-CD1 4.32Å; I476-I486 HydrophobicContact CB-CD1 4.43Å; I476-I486 HydrophobicContact CG1-CD1 3.82Å; I476-F513 HydrophobicContact CD1-CB 3.73Å; I476-F513 HydrophobicContact CD1-CD1 3.89Å; I476-F513 HydrophobicContact CD1-CG 4.14Å; I476-G516 WeakPolarHBondContact O-CA 3.31Å; I476-G516 PolarHBondContact O-N 3.24Å; I476-Q517 HydrophobicContact CD1-CB 3.92Å; I476-Q517 HydrophobicContact CG1-CB 4.24Å; I476-Q517 PolarHBondContact N-O 2.94Å; I476-L519 HydrophobicContact CD1-CD1 3.8Å; I476-L519 HydrophobicContact CD1-CG 4.31Å; I476-L519 HydrophobicContact CG1-CD1 3.96Å; I476-L519 HydrophobicContact CG1-CG 4.34Å |
| 477 | V | 89.2 | Confident | 84.9 | Confident | 30 Ų | 30 | 47.8 Ų | 47.8 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | -32.5 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 113.4 | F475 L485 S487 R493 | F475-V477 HydrophobicContact CD2-CG2 3.77Å; F475-V477 HydrophobicContact CE2-CG2 3.47Å; F475-V477 VanDerWaalsContact CE2-CG2 3.47Å; F475-V477 HydrophobicContact CZ-CG2 4.37Å; V477-L485 PolarHBondContact N-O 2.7Å; V477-S487 VanDerWaalsContact CG2-CB 3.43Å; V477-R493 VanDerWaalsContact CG1-NH2 3.3Å |
| 478 | K | 88.4 | Confident | 86.1 | Confident | 129 Ų | 129 | 44.4 Ų | 44.4 | 56% | 0.561 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133.3 | 169.4 | -176.8 | 173.9 | 179.6 | 176.5 | 0 | 110.3 | L485 | K478-L485 HydrophobicContact CB-CB 4.05Å; K478-L485 HydrophobicContact CB-CD2 4.31Å; K478-L485 PolarHBondContact N-O 3.47Å; K478-L485 PolarHBondContact O-N 2.77Å |
| 479 | V | 90.3 | Very high | 87.5 | Confident | 31 Ų | 31 | 38.4 Ų | 38.4 | 19% | 0.188 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 143.3 | 166 | -176.5 | 0 | 0 | 0 | 0 | 107.3 | I476 L484 L509 Q510 F513 | I476-V479 HydrophobicContact CG2-CG2 3.81Å; V479-L484 HydrophobicContact CB-CD2 4.39Å; V479-L484 HydrophobicContact CG1-CD2 3.99Å; V479-L484 HydrophobicContact CG2-CD2 4.15Å; V479-L509 HydrophobicContact CG1-CB 4Å; V479-L509 WeakPolarHBondContact CG1-O 3.17Å; V479-Q510 HydrophobicContact CG1-CG 4.06Å; V479-F513 HydrophobicContact CG2-CB 4.4Å |
| 480 | S | 84 | Confident | 88.2 | Confident | 27 Ų | 27 | 33.9 Ų | 33.9 | 19% | 0.189 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 157.9 | 177.5 | 62.4 | 0 | 0 | 0 | 0 | 110.1 | K482 G483 L509 | S480-K482 PolarHBondContact O-N 2.68Å; S480-K482 VanDerWaalsContact O-N 3.1Å; S480-G483 PolarHBondContact N-O 3.32Å; S480-G483 VanDerWaalsContact N-O 3.17Å; S480-G483 PolarHBondContact O-N 3.17Å; S480-G483 PolarHBondContact OG-O 3.36Å; S480-L509 WeakPolarHBondContact O-CD1 3.29Å |
| 481 | E | 81.3 | Confident | 88 | Confident | 132 Ų | 132 | 35.6 Ų | 35.6 | 62% | 0.617 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.9 | -179.3 | -58.4 | 99.3 | -119.6 | 0 | 0 | 113.6 | G483 R498 L509 | E481-G483 VanDerWaalsContact C-N 3.33Å; E481-R498 PolarHBondContact O-NH1 2.96Å; E481-L509 WeakPolarHBondContact O-CD1 3.4Å |
| 482 | K | 82.1 | Confident | 87.9 | Confident | 170 Ų | 170 | 33.8 Ų | 33.8 | 74% | 0.739 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -20.7 | -178.6 | -61.7 | -177.7 | -179.7 | 179.5 | 0 | 113 | S480 W495 R498 | S480-K482 PolarHBondContact O-N 2.68Å; S480-K482 VanDerWaalsContact O-N 3.1Å; K482-W495 HydrophobicContact CB-CH2 4.31Å; K482-W495 HydrophobicContact CB-CZ2 4.03Å; K482-W495 WeakPolarHBondContact O-CZ2 3.43Å; K482-R498 PolarHBondContact O-N 2.88Å |
| 483 | G | 88 | Confident | 87.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153 | -174.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S480 E481 W495 I496 | S480-G483 PolarHBondContact N-O 3.32Å; S480-G483 VanDerWaalsContact N-O 3.17Å; S480-G483 PolarHBondContact O-N 3.17Å; S480-G483 PolarHBondContact OG-O 3.36Å; E481-G483 VanDerWaalsContact C-N 3.33Å; G483-W495 VanDerWaalsContact C-CH2 3.5Å; G483-I496 CarbonylContact C-O 3.56Å; G483-I496 WeakPolarHBondContact CA-O 3.47Å |
| 484 | L | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.4 | -179.9 | -50.2 | 175.2 | 0 | 0 | 0 | 111 | I476 V479 I486 W495 I496 T501 L509 F513 L519 L550 | I476-L484 HydrophobicContact CD1-CD1 4.32Å; V479-L484 HydrophobicContact CB-CD2 4.39Å; V479-L484 HydrophobicContact CG1-CD2 3.99Å; V479-L484 HydrophobicContact CG2-CD2 4.15Å; L484-I486 HydrophobicContact CB-CD1 4.36Å; L484-W495 VanDerWaalsContact O-CE3 3.27Å; L484-I496 HydrophobicContact CB-CB 4.26Å; L484-I496 PolarHBondContact N-O 3.3Å; L484-I496 PolarHBondContact O-N 2.77Å; L484-T501 HydrophobicContact CD1-CG2 4.12Å; L484-T501 HydrophobicContact CG-CG2 4.15Å; L484-L509 HydrophobicContact CD2-CD2 4.27Å; L484-F513 HydrophobicContact CD1-CB 4.48Å; L484-F513 HydrophobicContact CD1-CD1 3.98Å; L484-F513 HydrophobicContact CD1-CD2 3.74Å; L484-F513 HydrophobicContact CD1-CE1 4.09Å; L484-F513 HydrophobicContact CD1-CE2 3.84Å; L484-F513 HydrophobicContact CD1-CG 3.8Å; L484-F513 HydrophobicContact CD1-CZ 4.02Å; L484-F513 HydrophobicContact CD2-CB 3.98Å; L484-F513 HydrophobicContact CD2-CD2 3.9Å; L484-F513 HydrophobicContact CD2-CG 4.05Å; L484-F513 HydrophobicContact CG-CD2 4.34Å; L484-L519 HydrophobicContact CD1-CD1 4.34Å; L484-L550 HydrophobicContact CD1-CD1 4.33Å |
| 485 | L | 91.2 | Very high | 87.5 | Confident | 39 Ų | 39 | 39.8 Ų | 39.8 | 20% | 0.204 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 107.5 | 171.4 | -174.5 | 61.4 | 0 | 0 | 0 | 109.9 | V477 K478 R493 W495 | V477-L485 PolarHBondContact N-O 2.7Å; K478-L485 HydrophobicContact CB-CB 4.05Å; K478-L485 HydrophobicContact CB-CD2 4.31Å; K478-L485 PolarHBondContact N-O 3.47Å; K478-L485 PolarHBondContact O-N 2.77Å; L485-R493 HydrophobicContact CD1-CB 4.2Å; L485-W495 HydrophobicContact CB-CE3 4.12Å; L485-W495 HydrophobicContact CB-CZ3 4.11Å; L485-W495 HydrophobicContact CD1-CE3 4.25Å |
| 486 | I | 91.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 148 | 177.6 | -54.4 | -54.8 | 0 | 0 | 0 | 110.1 | F453 F475 I476 L484 R493 G494 I496 L519 M521 L548 | F453-I486 HydrophobicContact CD1-CG2 4.07Å; F453-I486 HydrophobicContact CE1-CG2 4.36Å; F475-I486 WeakPolarHBondContact O-CA 3.43Å; I476-I486 HydrophobicContact CB-CD1 4.43Å; I476-I486 HydrophobicContact CG1-CD1 3.82Å; L484-I486 HydrophobicContact CB-CD1 4.36Å; I486-R493 WeakPolarHBondContact O-CA 3.41Å; I486-G494 PolarHBondContact N-O 3.3Å; I486-G494 PolarHBondContact O-N 3.12Å; I486-I496 HydrophobicContact CD1-CD1 3.94Å; I486-I496 HydrophobicContact CG1-CD1 3.62Å; I486-I496 HydrophobicContact CG1-CG1 3.98Å; I486-L519 HydrophobicContact CD1-CD1 4.46Å; I486-M521 HydrophobicContact CB-SD 4.35Å; I486-M521 HydrophobicContact CD1-CE 4.1Å; I486-M521 HydrophobicContact CG1-CE 4.04Å; I486-M521 HydrophobicContact CG1-SD 3.92Å; I486-M521 HydrophobicContact CG2-CE 3.71Å; I486-M521 HydrophobicContact CG2-SD 3.83Å; I486-L548 HydrophobicContact CB-CD1 4.42Å; I486-L548 HydrophobicContact CG2-CD1 4.47Å |
| 487 | S | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 152.7 | 169 | -158.2 | 0 | 0 | 0 | 0 | 110.8 | F475 V477 I492 R493 | F475-S487 WeakPolarHBondContact CD1-O 3.47Å; F475-S487 VanDerWaalsContact CE1-O 3.29Å; F475-S487 WeakPolarHBondContact CE1-O 3.46Å; F475-S487 PolarHBondContact N-O 3.22Å; F475-S487 VanDerWaalsContact N-O 3.07Å; F475-S487 PolarHBondContact O-N 2.97Å; V477-S487 VanDerWaalsContact CG2-CB 3.43Å; S487-I492 WeakPolarHBondContact CA-O 3.3Å; S487-R493 PolarHBondContact OG-NH1 2.98Å |
| 488 | G | 86.9 | Confident | 87.2 | Confident | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | trans | -123.1 | -150.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F453 I492 | F453-G488 CarbonylContact O-C 3.51Å; F453-G488 WeakPolarHBondContact O-CA 3.31Å; G488-I492 PolarHBondContact N-O 2.79Å | ||
| 489 | L | 86.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -62.5 | 150.1 | 167.8 | -63.2 | 175.5 | 0 | 0 | 0 | 110.9 | P372 L426 V427 L428 I452 F453 N491 I492 | P372-L489 HydrophobicContact CB-CB 4.12Å; L426-L489 HydrophobicContact CD2-CD2 4.16Å; V427-L489 WeakPolarHBondContact O-CD2 3.39Å; L428-L489 HydrophobicContact CD1-CD2 4.46Å; I452-L489 HydrophobicContact CG2-CD1 4.31Å; I452-L489 HydrophobicContact CG2-CG 4.01Å; F453-L489 PolarHBondContact O-N 3.2Å; L489-N491 PolarHBondContact O-N 2.58Å; L489-N491 VanDerWaalsContact O-N 3.1Å; L489-I492 WeakPolarHBondContact O-CB 3.39Å; L489-I492 WeakPolarHBondContact O-CD1 3.2Å; L489-I492 WeakPolarHBondContact O-CG1 3.37Å; L489-I492 PolarHBondContact O-N 2.87Å |
| 490 | D | 81.9 | Confident | 87 | Confident | 55 Ų | 55 | 45.5 Ų | 45.5 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | 43.1 | 42.8 | -177.9 | -168.4 | 24.1 | 0 | 0 | 0 | 114.8 | P372 L428 I492 R543 | P372-D490 HydrophobicContact CG-CB 4.12Å; L428-D490 PolarHBondContact O-N 2.7Å; D490-I492 PolarHBondContact O-N 2.92Å; D490-R543 PolarHBondContact O-NH1 3.41Å; D490-R543 IonicContact OD1-CZ 2.77Å; D490-R543 IonicContact OD1-NH1 3.7Å; D490-R543 PolarHBondContact OD1-NH1 2.83Å; D490-R543 IonicContact OD2-NH1 3.61Å; D490-R543 PolarHBondContact OD2-NH1 2.96Å |
| 491 | N | 79.6 | Confident | 87 | Confident | 52 Ų | 52 | 44.6 Ų | 44.6 | 28% | 0.278 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | 50 | 26.1 | -178.2 | -74.5 | -38.8 | 0 | 0 | 0 | 114.9 | Q429 L489 R493 | Q429-N491 PolarHBondContact NE2-ND2 3.14Å; Q429-N491 PolarHBondContact OE1-ND2 2.84Å; L489-N491 PolarHBondContact O-N 2.58Å; L489-N491 VanDerWaalsContact O-N 3.1Å; N491-R493 WeakPolarHBondContact O-CD 3.47Å; N491-R493 VanDerWaalsContact O-CG 3.22Å; N491-R493 WeakPolarHBondContact O-CG 3.12Å; N491-R493 PolarHBondContact O-N 3.27Å |
| 492 | I | 85 | Confident | 87 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 14% | 0.138 | 19% | 0.192 | C | C | . | . | trans | -61.9 | 124.8 | 170.6 | -68.3 | 162.2 | 0 | 0 | 0 | 107.4 | F453 Y459 S487 G488 L489 D490 Y546 | F453-I492 HydrophobicContact CE1-CG2 4.12Å; F453-I492 VanDerWaalsContact CE1-O 3.24Å; F453-I492 WeakPolarHBondContact CE1-O 3.39Å; F453-I492 HydrophobicContact CE2-CG2 4.15Å; F453-I492 HydrophobicContact CZ-CG2 3.78Å; Y459-I492 HydrophobicContact CE2-CD1 4.26Å; Y459-I492 WeakPolarHBondContact OH-CD1 3.47Å; S487-I492 WeakPolarHBondContact CA-O 3.3Å; G488-I492 PolarHBondContact N-O 2.79Å; L489-I492 WeakPolarHBondContact O-CB 3.39Å; L489-I492 WeakPolarHBondContact O-CD1 3.2Å; L489-I492 WeakPolarHBondContact O-CG1 3.37Å; L489-I492 PolarHBondContact O-N 2.87Å; D490-I492 PolarHBondContact O-N 2.92Å; I492-Y546 HydrophobicContact CG2-CD2 3.75Å; I492-Y546 HydrophobicContact CG2-CE2 3.68Å | ||
| 493 | R | 87.3 | Confident | 87.1 | Confident | 49 Ų | 49 | 34.7 Ų | 34.7 | 19% | 0.185 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 138.6 | -172.9 | -45 | -62 | -77.7 | -145.1 | -19.9 | 112 | V477 L485 I486 S487 N491 R543 K545 Y546 | V477-R493 VanDerWaalsContact CG1-NH2 3.3Å; L485-R493 HydrophobicContact CD1-CB 4.2Å; I486-R493 WeakPolarHBondContact O-CA 3.41Å; S487-R493 PolarHBondContact OG-NH1 2.98Å; N491-R493 WeakPolarHBondContact O-CD 3.47Å; N491-R493 VanDerWaalsContact O-CG 3.22Å; N491-R493 WeakPolarHBondContact O-CG 3.12Å; N491-R493 PolarHBondContact O-N 3.27Å; R493-R543 WeakPolarHBondContact CB-O 3.23Å; R493-R543 HydrophobicContact CG-CB 4.35Å; R493-R543 PolarHBondContact N-O 2.54Å; R493-K545 PolarHBondContact O-N 3.09Å; R493-Y546 PolarHBondContact O-N 3.37Å |
| 494 | G | 88.5 | Confident | 86.6 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I486 Y546 | I486-G494 PolarHBondContact N-O 3.3Å; I486-G494 PolarHBondContact O-N 3.12Å; G494-Y546 CarbonylContact C-O 3.43Å; G494-Y546 VanDerWaalsContact CA-O 3.27Å; G494-Y546 WeakPolarHBondContact CA-O 3.38Å |
| 495 | W | 90.8 | Very high | 85.7 | Confident | 80 Ų | 80 | 40.4 Ų | 40.4 | 30% | 0.303 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.8 | 178.8 | -177.8 | -116.1 | 0 | 0 | 0 | 111.1 | K482 G483 L484 L485 Y546 M547 L548 | K482-W495 HydrophobicContact CB-CH2 4.31Å; K482-W495 HydrophobicContact CB-CZ2 4.03Å; K482-W495 WeakPolarHBondContact O-CZ2 3.43Å; G483-W495 VanDerWaalsContact C-CH2 3.5Å; L484-W495 VanDerWaalsContact O-CE3 3.27Å; L485-W495 HydrophobicContact CB-CE3 4.12Å; L485-W495 HydrophobicContact CB-CZ3 4.11Å; L485-W495 HydrophobicContact CD1-CE3 4.25Å; W495-Y546 PolarHBondContact N-O 2.88Å; W495-M547 WeakPolarHBondContact O-CA 2.98Å; W495-L548 PolarHBondContact O-N 3.22Å |
| 496 | I | 91.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 100.3 | 168.5 | -54.4 | 174.1 | 0 | 0 | 0 | 106.9 | G483 L484 I486 E500 T501 M521 L548 L550 | G483-I496 CarbonylContact C-O 3.56Å; G483-I496 WeakPolarHBondContact CA-O 3.47Å; L484-I496 HydrophobicContact CB-CB 4.26Å; L484-I496 PolarHBondContact N-O 3.3Å; L484-I496 PolarHBondContact O-N 2.77Å; I486-I496 HydrophobicContact CD1-CD1 3.94Å; I486-I496 HydrophobicContact CG1-CD1 3.62Å; I486-I496 HydrophobicContact CG1-CG1 3.98Å; I496-E500 HydrophobicContact CG2-CB 3.84Å; I496-T501 HydrophobicContact CG2-CG2 3.74Å; I496-M521 HydrophobicContact CD1-SD 4.12Å; I496-L548 HydrophobicContact CD1-CB 4.49Å; I496-L548 HydrophobicContact CG1-CB 3.82Å; I496-L550 HydrophobicContact CD1-CD1 4.49Å; I496-L550 HydrophobicContact CD1-CD2 3.98Å; I496-L550 HydrophobicContact CD1-CG 4.04Å; I496-L550 HydrophobicContact CG2-CG 4.45Å |
| 497 | P | 89 | Confident | 83.9 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 150.3 | 172.2 | -21.3 | 29.8 | 0 | 0 | 0 | 111.4 | R499 E500 T501 M547 | P497-R499 PolarHBondContact O-N 3.4Å; P497-E500 HydrophobicContact CB-CG 4.31Å; P497-E500 HydrophobicContact CG-CG 4.11Å; P497-E500 WeakPolarHBondContact O-CA 3.3Å; P497-E500 WeakPolarHBondContact O-CB 3.44Å; P497-E500 PolarHBondContact O-N 2.99Å; P497-T501 PolarHBondContact O-N 3.48Å; P497-M547 HydrophobicContact CG-CG 4.48Å |
| 498 | R | 86.8 | Confident | 83.3 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -42.1 | -48.1 | 175 | -173.7 | -176.9 | -172.5 | 87.4 | 2.8 | 112.5 | E481 K482 E500 T501 D505 D507 L509 | E481-R498 PolarHBondContact O-NH1 2.96Å; K482-R498 PolarHBondContact O-N 2.88Å; R498-E500 PolarHBondContact O-N 2.83Å; R498-E500 VanDerWaalsContact O-N 3.09Å; R498-T501 WeakPolarHBondContact O-CB 3.49Å; R498-T501 PolarHBondContact O-N 3.32Å; R498-T501 PolarHBondContact O-OG1 2.81Å; R498-D505 PolarHBondContact NH2-O 3.25Å; R498-D507 PolarHBondContact NH2-O 2.88Å; R498-L509 HydrophobicContact CB-CD1 4.27Å; R498-L509 HydrophobicContact CG-CD1 4.12Å |
| 499 | R | 86.5 | Confident | 83 | Confident | 203 Ų | 203 | 48.9 Ų | 48.9 | 77% | 0.766 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -58.6 | -20.7 | 179.3 | -47.9 | -174.5 | -159.9 | -150.8 | 5 | 115 | P497 K551 | P497-R499 PolarHBondContact O-N 3.4Å; R499-K551 WeakPolarHBondContact O-CE 3.36Å; R499-K551 PolarHBondContact O-NZ 3.47Å |
| 500 | E | 86.9 | Confident | 82.8 | Confident | 31 Ų | 31 | 55 Ų | 55 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -100.5 | -6.2 | 179.8 | -61.6 | -62.7 | 142.6 | 0 | 0 | 113.5 | I496 P497 R498 G502 K524 S549 L550 | I496-E500 HydrophobicContact CG2-CB 3.84Å; P497-E500 HydrophobicContact CB-CG 4.31Å; P497-E500 HydrophobicContact CG-CG 4.11Å; P497-E500 WeakPolarHBondContact O-CA 3.3Å; P497-E500 WeakPolarHBondContact O-CB 3.44Å; P497-E500 PolarHBondContact O-N 2.99Å; R498-E500 PolarHBondContact O-N 2.83Å; R498-E500 VanDerWaalsContact O-N 3.09Å; E500-G502 VanDerWaalsContact C-N 3.28Å; E500-G502 PolarHBondContact O-N 3.03Å; E500-K524 IonicContact OE1-NZ 3Å; E500-K524 PolarHBondContact OE1-NZ 2.91Å; E500-K524 WeakPolarHBondContact OE2-CD 3.49Å; E500-K524 IonicContact OE2-NZ 2.72Å; E500-K524 PolarHBondContact OE2-NZ 2.78Å; E500-S549 PolarHBondContact O-OG 3.22Å; E500-S549 VanDerWaalsContact OE2-CB 3.29Å; E500-S549 WeakPolarHBondContact OE2-CB 3.3Å; E500-S549 PolarHBondContact OE2-OG 2.93Å; E500-L550 PolarHBondContact O-N 3.36Å |
| 501 | T | 85.7 | Confident | 82.8 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -75 | -14.8 | -177.4 | 63 | 0 | 0 | 0 | 0 | 114.2 | L484 I496 P497 R498 L503 L509 L550 | L484-T501 HydrophobicContact CD1-CG2 4.12Å; L484-T501 HydrophobicContact CG-CG2 4.15Å; I496-T501 HydrophobicContact CG2-CG2 3.74Å; P497-T501 PolarHBondContact O-N 3.48Å; R498-T501 WeakPolarHBondContact O-CB 3.49Å; R498-T501 PolarHBondContact O-N 3.32Å; R498-T501 PolarHBondContact O-OG1 2.81Å; T501-L503 VanDerWaalsContact C-N 3.27Å; T501-L503 PolarHBondContact O-N 3.2Å; T501-L509 HydrophobicContact CG2-CD2 3.82Å; T501-L550 WeakPolarHBondContact O-CB 3.03Å |
| 502 | G | 80.5 | Confident | 83 | Confident | 48 Ų | 48 | 58 Ų | 58 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 89.5 | -17.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E500 | E500-G502 VanDerWaalsContact C-N 3.28Å; E500-G502 PolarHBondContact O-N 3.03Å |
| 503 | L | 83 | Confident | 83.2 | Confident | 47 Ų | 47 | 57.8 Ų | 57.8 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -70.6 | 164.6 | 176.5 | -63.1 | -177.4 | 0 | 0 | 0 | 113.3 | T501 D507 L509 N512 F513 | T501-L503 VanDerWaalsContact C-N 3.27Å; T501-L503 PolarHBondContact O-N 3.2Å; L503-D507 HydrophobicContact CB-CB 3.86Å; L503-D507 WeakPolarHBondContact CB-OD2 3.29Å; L503-D507 HydrophobicContact CD1-CB 3.92Å; L503-D507 HydrophobicContact CD2-CB 4.44Å; L503-D507 HydrophobicContact CG-CB 4.3Å; L503-L509 HydrophobicContact CD1-CD2 3.8Å; L503-N512 HydrophobicContact CD1-CB 3.91Å; L503-N512 WeakPolarHBondContact CD1-ND2 3.43Å; L503-N512 HydrophobicContact CD2-CB 4.36Å; L503-N512 WeakPolarHBondContact CD2-ND2 3.04Å; L503-F513 HydrophobicContact CD1-CD2 4.25Å; L503-F513 HydrophobicContact CD1-CE2 3.62Å; L503-F513 HydrophobicContact CG-CE2 4.21Å |
| 504 | A | 78.6 | Confident | 83.2 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | trans | -70.9 | 164.3 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | E506 D507 | A504-E506 PolarHBondContact O-N 2.81Å; A504-D507 WeakPolarHBondContact CB-OD2 3.03Å; A504-D507 PolarHBondContact N-OD2 2.87Å; A504-D507 PolarHBondContact O-N 2.74Å | ||
| 505 | D | 72.3 | Confident | 83.3 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 43% | 0.428 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -68 | -16.4 | 172.4 | -89.6 | -16.6 | 0 | 0 | 0 | 112.3 | R498 K652 | R498-D505 PolarHBondContact NH2-O 3.25Å; D505-K652 HydrophobicContact CB-CD 4.31Å; D505-K652 IonicContact OD2-NZ 3.39Å; D505-K652 PolarHBondContact OD2-NZ 2.98Å |
| 506 | E | 67.9 | Low | 83 | Confident | 70 Ų | 70 | 63.6 Ų | 63.6 | 33% | 0.327 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -86.5 | -23.8 | 179.9 | -67.4 | 144 | -144.1 | 0 | 0 | 112.9 | A504 G651 K652 Q653 T654 | A504-E506 PolarHBondContact O-N 2.81Å; E506-G651 WeakPolarHBondContact OE1-CA 3.31Å; E506-K652 PolarHBondContact OE1-N 2.8Å; E506-Q653 PolarHBondContact OE1-N 2.95Å; E506-Q653 VanDerWaalsContact OE1-N 3.1Å; E506-T654 WeakPolarHBondContact OE2-CB 3.42Å; E506-T654 VanDerWaalsContact OE2-CG2 3.26Å; E506-T654 WeakPolarHBondContact OE2-CG2 3.48Å; E506-T654 PolarHBondContact OE2-OG1 3.43Å |
| 507 | D | 75.9 | Confident | 83 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -68.1 | 133.9 | -176.6 | -77.2 | -62.5 | 0 | 0 | 0 | 113.3 | R498 L503 A504 L509 N512 | R498-D507 PolarHBondContact NH2-O 2.88Å; L503-D507 HydrophobicContact CB-CB 3.86Å; L503-D507 WeakPolarHBondContact CB-OD2 3.29Å; L503-D507 HydrophobicContact CD1-CB 3.92Å; L503-D507 HydrophobicContact CD2-CB 4.44Å; L503-D507 HydrophobicContact CG-CB 4.3Å; A504-D507 WeakPolarHBondContact CB-OD2 3.03Å; A504-D507 PolarHBondContact N-OD2 2.87Å; A504-D507 PolarHBondContact O-N 2.74Å; D507-L509 PolarHBondContact O-N 3.42Å; D507-N512 PolarHBondContact OD1-ND2 2.89Å |
| 508 | I | 78.1 | Confident | 83.1 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | trans | -79.1 | 114.4 | 173.5 | -61.1 | 170.9 | 0 | 0 | 0 | 109.5 | Q510 T511 | I508-Q510 HydrophobicContact CG2-CB 3.96Å; I508-Q510 HydrophobicContact CG2-CG 4.32Å; I508-Q510 PolarHBondContact O-N 3.28Å; I508-T511 HydrophobicContact CB-CG2 4.16Å; I508-T511 HydrophobicContact CG2-CG2 4.29Å; I508-T511 PolarHBondContact O-N 3.46Å; I508-T511 PolarHBondContact O-OG1 3.1Å | ||
| 509 | L | 81.2 | Confident | 83.3 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.2 | -21.4 | -179.7 | -78.3 | 168.6 | 0 | 0 | 0 | 114.1 | V479 S480 E481 L484 R498 T501 L503 D507 F513 | V479-L509 HydrophobicContact CG1-CB 4Å; V479-L509 WeakPolarHBondContact CG1-O 3.17Å; S480-L509 WeakPolarHBondContact O-CD1 3.29Å; E481-L509 WeakPolarHBondContact O-CD1 3.4Å; L484-L509 HydrophobicContact CD2-CD2 4.27Å; R498-L509 HydrophobicContact CB-CD1 4.27Å; R498-L509 HydrophobicContact CG-CD1 4.12Å; T501-L509 HydrophobicContact CG2-CD2 3.82Å; L503-L509 HydrophobicContact CD1-CD2 3.8Å; D507-L509 PolarHBondContact O-N 3.42Å; L509-F513 HydrophobicContact CD2-CD2 3.85Å; L509-F513 HydrophobicContact CD2-CE2 3.91Å; L509-F513 WeakPolarHBondContact O-CB 3.47Å; L509-F513 PolarHBondContact O-N 3.09Å |
| 510 | Q | 81.8 | Confident | 83.6 | Confident | 131 Ų | 131 | 59.8 Ų | 59.8 | 61% | 0.612 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -81.3 | -18.5 | 178.9 | -52 | -179.2 | 18.7 | 0 | 0 | 113.9 | V479 I508 | V479-Q510 HydrophobicContact CG1-CG 4.06Å; I508-Q510 HydrophobicContact CG2-CB 3.96Å; I508-Q510 HydrophobicContact CG2-CG 4.32Å; I508-Q510 PolarHBondContact O-N 3.28Å |
| 511 | T | 81.9 | Confident | 83.8 | Confident | 101 Ų | 101 | 58.3 Ų | 58.3 | 62% | 0.62 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -85.8 | -38.8 | 174.9 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | I508 | I508-T511 HydrophobicContact CB-CG2 4.16Å; I508-T511 HydrophobicContact CG2-CG2 4.29Å; I508-T511 PolarHBondContact O-N 3.46Å; I508-T511 PolarHBondContact O-OG1 3.1Å |
| 512 | N | 84.2 | Confident | 84 | Confident | 68 Ų | 68 | 60.7 Ų | 60.7 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -87.5 | -16.5 | -175.4 | -67.5 | -23.2 | 0 | 0 | 0 | 113.9 | L503 D507 | L503-N512 HydrophobicContact CD1-CB 3.91Å; L503-N512 WeakPolarHBondContact CD1-ND2 3.43Å; L503-N512 HydrophobicContact CD2-CB 4.36Å; L503-N512 WeakPolarHBondContact CD2-ND2 3.04Å; D507-N512 PolarHBondContact OD1-ND2 2.89Å |
| 513 | F | 88.7 | Confident | 84.3 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 10% | 0.096 | 29% | 0.288 | C | S | . | . | trans | -138.1 | 137 | -178.4 | -61.5 | -71.3 | 0 | 0 | 0 | 113.4 | I476 V479 L484 L503 L509 Q517 L519 L550 | I476-F513 HydrophobicContact CD1-CB 3.73Å; I476-F513 HydrophobicContact CD1-CD1 3.89Å; I476-F513 HydrophobicContact CD1-CG 4.14Å; V479-F513 HydrophobicContact CG2-CB 4.4Å; L484-F513 HydrophobicContact CD1-CB 4.48Å; L484-F513 HydrophobicContact CD1-CD1 3.98Å; L484-F513 HydrophobicContact CD1-CD2 3.74Å; L484-F513 HydrophobicContact CD1-CE1 4.09Å; L484-F513 HydrophobicContact CD1-CE2 3.84Å; L484-F513 HydrophobicContact CD1-CG 3.8Å; L484-F513 HydrophobicContact CD1-CZ 4.02Å; L484-F513 HydrophobicContact CD2-CB 3.98Å; L484-F513 HydrophobicContact CD2-CD2 3.9Å; L484-F513 HydrophobicContact CD2-CG 4.05Å; L484-F513 HydrophobicContact CG-CD2 4.34Å; L503-F513 HydrophobicContact CD1-CD2 4.25Å; L503-F513 HydrophobicContact CD1-CE2 3.62Å; L503-F513 HydrophobicContact CG-CE2 4.21Å; L509-F513 HydrophobicContact CD2-CD2 3.85Å; L509-F513 HydrophobicContact CD2-CE2 3.91Å; L509-F513 WeakPolarHBondContact O-CB 3.47Å; L509-F513 PolarHBondContact O-N 3.09Å; F513-Q517 VanDerWaalsContact CA-OE1 3.3Å; F513-L519 HydrophobicContact CD1-CD1 4.1Å; F513-L519 HydrophobicContact CD1-CD2 4.46Å; F513-L519 HydrophobicContact CE1-CD1 3.97Å; F513-L519 HydrophobicContact CE1-CD2 4.26Å; F513-L550 HydrophobicContact CE1-CD1 3.77Å; F513-L550 HydrophobicContact CZ-CD1 3.51Å | ||
| 514 | Y | 88.1 | Confident | 84.4 | Confident | 93 Ų | 93 | 61 Ų | 61 | 37% | 0.365 | 30% | 0.295 | S | S | . | . | trans | -120.3 | 150.6 | 179 | 63.5 | -88.3 | 0 | 0 | 0 | 113.6 | D407 G516 Q517 | D407-Y514 PolarHBondContact O-OH 2.77Å; D407-Y514 VanDerWaalsContact O-OH 3.12Å; Y514-G516 PolarHBondContact O-N 3.29Å; Y514-Q517 HydrophobicContact CD1-CB 4.01Å; Y514-Q517 HydrophobicContact CD1-CG 4.14Å; Y514-Q517 HydrophobicContact CD2-CB 3.9Å; Y514-Q517 HydrophobicContact CE1-CB 3.81Å; Y514-Q517 HydrophobicContact CE1-CG 3.62Å; Y514-Q517 HydrophobicContact CE2-CB 3.69Å; Y514-Q517 HydrophobicContact CE2-CG 4.29Å; Y514-Q517 HydrophobicContact CG-CB 4.05Å; Y514-Q517 VanDerWaalsContact O-CB 3.22Å; Y514-Q517 WeakPolarHBondContact O-CB 3.35Å; Y514-Q517 PolarHBondContact O-N 3.14Å; Y514-Q517 VanDerWaalsContact O-N 3.11Å | ||
| 515 | R | 89.3 | Confident | 84.6 | Confident | 161 Ų | 161 | 66.1 Ų | 66.1 | 61% | 0.608 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 128.2 | 175.6 | -177.9 | 176.3 | 179.1 | -173 | 0.5 | 109.9 | L403 | L403-R515 HydrophobicContact CD1-CG 4.42Å; L403-R515 HydrophobicContact CD2-CG 4.12Å |
| 516 | G | 86.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -16.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | K442 I476 Y514 V518 | K442-G516 PolarHBondContact NZ-O 2.99Å; I476-G516 WeakPolarHBondContact O-CA 3.31Å; I476-G516 PolarHBondContact O-N 3.24Å; Y514-G516 PolarHBondContact O-N 3.29Å; G516-V518 PolarHBondContact O-N 2.78Å |
| 517 | Q | 90 | Very high | 84.8 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | trans | -54.1 | 133.3 | -180 | -172.4 | 175.4 | 7.5 | 0 | 0 | 111.3 | F475 I476 F513 Y514 L519 | F475-Q517 VanDerWaalsContact CA-O 3.28Å; F475-Q517 WeakPolarHBondContact CA-O 3.3Å; I476-Q517 HydrophobicContact CD1-CB 3.92Å; I476-Q517 HydrophobicContact CG1-CB 4.24Å; I476-Q517 PolarHBondContact N-O 2.94Å; F513-Q517 VanDerWaalsContact CA-OE1 3.3Å; Y514-Q517 HydrophobicContact CD1-CB 4.01Å; Y514-Q517 HydrophobicContact CD1-CG 4.14Å; Y514-Q517 HydrophobicContact CD2-CB 3.9Å; Y514-Q517 HydrophobicContact CE1-CB 3.81Å; Y514-Q517 HydrophobicContact CE1-CG 3.62Å; Y514-Q517 HydrophobicContact CE2-CB 3.69Å; Y514-Q517 HydrophobicContact CE2-CG 4.29Å; Y514-Q517 HydrophobicContact CG-CB 4.05Å; Y514-Q517 VanDerWaalsContact O-CB 3.22Å; Y514-Q517 WeakPolarHBondContact O-CB 3.35Å; Y514-Q517 PolarHBondContact O-N 3.14Å; Y514-Q517 VanDerWaalsContact O-N 3.11Å; Q517-L519 HydrophobicContact CG-CD2 4.1Å; Q517-L519 HydrophobicContact CG-CG 4.48Å | ||
| 518 | V | 91.4 | Very high | 83.7 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 19% | 0.194 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 127.5 | 174.6 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | D407 K442 L445 V473 G474 F475 G516 | D407-V518 WeakPolarHBondContact OD1-CG2 3.31Å; K442-V518 HydrophobicContact CD-CG2 3.93Å; L445-V518 HydrophobicContact CD1-CG2 4.4Å; L445-V518 HydrophobicContact CD2-CG1 4.07Å; L445-V518 HydrophobicContact CG-CG1 4.38Å; L445-V518 HydrophobicContact CG-CG2 4.09Å; V473-V518 HydrophobicContact CG1-CG1 3.4Å; G474-V518 WeakPolarHBondContact O-CA 3.46Å; F475-V518 HydrophobicContact CB-CG2 4.44Å; G516-V518 PolarHBondContact O-N 2.78Å |
| 519 | L | 91.3 | Very high | 82.4 | Confident | 20 Ų | 20 | 71.7 Ų | 71.7 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.5 | -179.2 | -67.8 | -177.7 | 0 | 0 | 0 | 110.4 | V473 G474 I476 L484 I486 F513 Q517 M521 L550 | V473-L519 WeakPolarHBondContact CA-O 3.25Å; G474-L519 PolarHBondContact N-O 3.42Å; G474-L519 VanDerWaalsContact N-O 3.1Å; G474-L519 PolarHBondContact O-N 3.2Å; I476-L519 HydrophobicContact CD1-CD1 3.8Å; I476-L519 HydrophobicContact CD1-CG 4.31Å; I476-L519 HydrophobicContact CG1-CD1 3.96Å; I476-L519 HydrophobicContact CG1-CG 4.34Å; L484-L519 HydrophobicContact CD1-CD1 4.34Å; I486-L519 HydrophobicContact CD1-CD1 4.46Å; F513-L519 HydrophobicContact CD1-CD1 4.1Å; F513-L519 HydrophobicContact CD1-CD2 4.46Å; F513-L519 HydrophobicContact CE1-CD1 3.97Å; F513-L519 HydrophobicContact CE1-CD2 4.26Å; Q517-L519 HydrophobicContact CG-CD2 4.1Å; Q517-L519 HydrophobicContact CG-CG 4.48Å; L519-M521 HydrophobicContact CB-CE 3.68Å; L519-M521 VanDerWaalsContact O-CE 3.24Å; L519-M521 WeakPolarHBondContact O-CE 3.47Å; L519-L550 HydrophobicContact CD1-CD1 4.11Å; L519-L550 HydrophobicContact CD1-CD2 4.19Å |
| 520 | K | 91.6 | Very high | 80.5 | Confident | 121 Ų | 121 | 76.4 Ų | 76.4 | 53% | 0.526 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 139.3 | 154.6 | -62.1 | -175.1 | 177.2 | -170.9 | 0 | 107 | L450 V473 F552 | L450-K520 HydrophobicContact CD1-CD 3.88Å; L450-K520 HydrophobicContact CD1-CG 4.08Å; V473-K520 HydrophobicContact CG2-CG 4.09Å; K520-F552 HydrophobicContact CB-CZ 4.39Å; K520-F552 WeakPolarHBondContact O-CZ 3.31Å |
| 521 | M | 91.6 | Very high | 78 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 160.3 | 178.7 | 64.7 | -164.2 | 77.6 | 0 | 0 | 111.9 | L471 I472 I486 I496 L519 L548 L550 | L471-M521 WeakPolarHBondContact CA-O 3.41Å; I472-M521 HydrophobicContact CD1-CG 4.05Å; I472-M521 HydrophobicContact CG1-CG 3.7Å; I472-M521 WeakPolarHBondContact CG1-O 3.37Å; I472-M521 PolarHBondContact N-O 2.9Å; I472-M521 PolarHBondContact O-N 2.94Å; I486-M521 HydrophobicContact CB-SD 4.35Å; I486-M521 HydrophobicContact CD1-CE 4.1Å; I486-M521 HydrophobicContact CG1-CE 4.04Å; I486-M521 HydrophobicContact CG1-SD 3.92Å; I486-M521 HydrophobicContact CG2-CE 3.71Å; I486-M521 HydrophobicContact CG2-SD 3.83Å; I496-M521 HydrophobicContact CD1-SD 4.12Å; L519-M521 HydrophobicContact CB-CE 3.68Å; L519-M521 VanDerWaalsContact O-CE 3.24Å; L519-M521 WeakPolarHBondContact O-CE 3.47Å; M521-L548 HydrophobicContact CG-CD1 4.45Å; M521-L548 HydrophobicContact SD-CB 4.19Å; M521-L548 HydrophobicContact SD-CD1 3.52Å; M521-L548 VanDerWaalsContact SD-CD1 3.52Å; M521-L548 HydrophobicContact SD-CG 4.44Å; M521-L550 HydrophobicContact CB-CD2 3.69Å |
| 522 | K | 89.8 | Confident | 76 | Confident | 56 Ų | 56 | 79.1 Ų | 79.1 | 24% | 0.243 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133.9 | 179.3 | -179.6 | 171.5 | 179.9 | 170.8 | 0 | 110.7 | N468 L471 S549 F552 | N468-K522 WeakPolarHBondContact O-CE 3.49Å; N468-K522 PolarHBondContact O-NZ 3.04Å; L471-K522 HydrophobicContact CD2-CB 4.02Å; L471-K522 HydrophobicContact CD2-CG 4.31Å; K522-S549 PolarHBondContact N-O 2.78Å; K522-S549 PolarHBondContact O-N 3.36Å; K522-F552 HydrophobicContact CB-CD1 4.44Å |
| 523 | F | 88.4 | Confident | 73.5 | Confident | 11 Ų | 11 | 83.7 Ų | 83.7 | 5% | 0.048 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 138.8 | 168.9 | -172.1 | -90.4 | 0 | 0 | 0 | 110.4 | L462 L470 Y546 L548 | L462-F523 HydrophobicContact CD1-CE2 4.01Å; L462-F523 HydrophobicContact CD1-CZ 4.2Å; L462-F523 HydrophobicContact CD2-CD1 3.72Å; L462-F523 HydrophobicContact CD2-CD2 4.12Å; L462-F523 HydrophobicContact CD2-CE1 3.58Å; L462-F523 HydrophobicContact CD2-CE2 3.98Å; L462-F523 HydrophobicContact CD2-CG 3.99Å; L462-F523 HydrophobicContact CD2-CZ 3.72Å; L470-F523 HydrophobicContact CB-CB 4.3Å; L470-F523 HydrophobicContact CG-CB 4.5Å; L470-F523 PolarHBondContact O-N 2.86Å; F523-Y546 AromaticContact CE2-CD1 3.58Å; F523-Y546 HydrophobicContact CE2-CD1 3.58Å; F523-Y546 HydrophobicContact CE2-CE1 4.23Å; F523-Y546 HydrophobicContact CE2-CG 4.25Å; F523-Y546 AromaticContact CZ-CD1 3.95Å; F523-Y546 HydrophobicContact CZ-CD1 3.95Å; F523-Y546 HydrophobicContact CZ-CE1 4.43Å; F523-L548 HydrophobicContact CB-CD2 4.5Å; F523-L548 HydrophobicContact CD2-CD2 3.87Å; F523-L548 HydrophobicContact CG-CD2 4.47Å |
| 524 | K | 84.9 | Confident | 70.6 | Confident | 92 Ų | 92 | 91.8 Ų | 91.8 | 40% | 0.4 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | -46.6 | -179.3 | -173.6 | 163.9 | 179.3 | 168 | 0 | 114.3 | E500 M547 | E500-K524 IonicContact OE1-NZ 3Å; E500-K524 PolarHBondContact OE1-NZ 2.91Å; E500-K524 WeakPolarHBondContact OE2-CD 3.49Å; E500-K524 IonicContact OE2-NZ 2.72Å; E500-K524 PolarHBondContact OE2-NZ 2.78Å; K524-M547 WeakPolarHBondContact CA-O 3.38Å; K524-M547 HydrophobicContact CB-CE 4.48Å; K524-M547 WeakPolarHBondContact CB-O 3.45Å; K524-M547 HydrophobicContact CD-CE 3.66Å; K524-M547 HydrophobicContact CG-CE 3.88Å; K524-M547 PolarHBondContact N-O 3.32Å; K524-M547 VanDerWaalsContact N-O 3.07Å |
| 525 | R | 82.5 | Confident | 68 | Low | 146 Ų | 146 | 93.3 Ų | 93.3 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 162 | 168.6 | 60.9 | 174.9 | 178.7 | 172.8 | 2.8 | 112.5 | M547 | R525-M547 HydrophobicContact CG-CB 3.8Å; R525-M547 HydrophobicContact CG-CE 4.08Å; R525-M547 HydrophobicContact CG-SD 4.35Å; R525-M547 PolarHBondContact N-O 3.08Å; R525-M547 VanDerWaalsContact N-O 3.13Å; R525-M547 PolarHBondContact NE-SD 3.05Å; R525-M547 PolarHBondContact O-N 3.3Å |
| 526 | E | 75.8 | Confident | 65.2 | Low | 89 Ų | 89 | 94.2 Ų | 94.2 | 42% | 0.416 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 150.8 | 156.8 | -165.4 | 150.9 | -148.6 | 0 | 0 | 109.8 | K545 Y546 | E526-K545 CarbonylContact C-O 3.59Å; E526-K545 WeakPolarHBondContact CA-O 3.39Å; E526-K545 WeakPolarHBondContact CG-O 3.45Å; E526-Y546 HydrophobicContact CB-CD1 4.13Å; E526-Y546 HydrophobicContact CB-CE1 4.01Å; E526-Y546 HydrophobicContact CG-CD1 4.04Å; E526-Y546 HydrophobicContact CG-CE1 3.61Å; E526-Y546 WeakPolarHBondContact OE1-CE1 3.36Å; E526-Y546 PolarHBondContact OE1-OH 3.42Å |
| 527 | I | 68.7 | Low | 62.5 | Low | 61 Ų | 61 | 104 Ų | 104 | 31% | 0.313 | 52% | 0.521 | S | S | . | . | trans | -108.3 | 91.7 | -179.1 | -55.9 | 172.3 | 0 | 0 | 0 | 106.5 | I529 K545 M547 | I527-I529 PolarHBondContact O-N 2.82Å; I527-K545 PolarHBondContact N-O 3.35Å; I527-M547 HydrophobicContact CD1-CB 4.02Å; I527-M547 HydrophobicContact CG1-CB 4.01Å | ||
| 528 | N | 51.8 | Low | 59.8 | Low | 142 Ų | 142 | 109 Ų | 109 | 76% | 0.759 | 55% | 0.549 | S | S | * | . | trans | -72 | 113.3 | 172.4 | -66.8 | -2.3 | 0 | 0 | 0 | 108.5 | ||||
| 529 | I | 50.3 | Low | 57 | Low | 121 Ų | 121 | 112.9 Ų | 112.9 | 62% | 0.621 | 58% | 0.577 | S | S | * | * | trans | -77.4 | 130.6 | 162 | -59.2 | 172.4 | 0 | 0 | 0 | 106.1 | I527 I542 | I527-I529 PolarHBondContact O-N 2.82Å; I529-I542 HydrophobicContact CD1-CG2 3.95Å | ||
| 530 | S | 42.5 | Very low | 54.5 | Low | 103 Ų | 103 | 120.6 Ų | 120.6 | 72% | 0.72 | 61% | 0.605 | S | S | * | * | trans | -68.1 | 144.2 | -176.1 | 38.3 | 0 | 0 | 0 | 0 | 112.3 | E532 | S530-E532 PolarHBondContact O-N 2.88Š| ||
| 531 | S | 29.3 | Very low | 51.9 | Low | 114 Ų | 114 | 121.5 Ų | 121.5 | 80% | 0.797 | 62% | 0.616 | S | S | * | * | trans | -86.4 | 102.8 | -178.6 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 532 | E | 39.9 | Very low | 49.4 | Very low | 175 Ų | 175 | 127 Ų | 127 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -148.2 | -8.4 | 174.9 | -121.4 | 152.5 | -143.8 | 0 | 0 | 115.4 | S530 | S530-E532 PolarHBondContact O-N 2.88Š| ||
| 533 | N | 30.8 | Very low | 47.7 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 88% | 0.877 | 65% | 0.652 | S | S | * | * | trans | -110 | 97.4 | 174.1 | -70 | 4.8 | 0 | 0 | 0 | 110.6 | ||||
| 534 | E | 29.1 | Very low | 45.9 | Very low | 192 Ų | 192 | 132.3 Ų | 132.3 | 90% | 0.897 | 67% | 0.673 | S | S | * | * | trans | -107.4 | 62.1 | 176.5 | -68.5 | -162 | 135.5 | 0 | 0 | 112.6 | ||||
| 535 | V | 32.6 | Very low | 45.2 | Very low | 124 Ų | 124 | 133 Ų | 133 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | trans | -134.8 | 146.1 | 168 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 536 | E | 31.3 | Very low | 45.3 | Very low | 181 Ų | 181 | 126.8 Ų | 126.8 | 85% | 0.846 | 65% | 0.652 | S | S | * | * | trans | 65 | 144.5 | 179.9 | -77.8 | 155.6 | -142.2 | 0 | 0 | 118 | ||||
| 537 | K | 28.9 | Very low | 45.8 | Very low | 206 Ų | 206 | 123.7 Ų | 123.7 | 90% | 0.896 | 64% | 0.638 | S | S | * | * | trans | -106.4 | 22.6 | -157.9 | -72.5 | 178.5 | 178.2 | 166.8 | 0 | 115.2 | S539 | K537-S539 VanDerWaalsContact C-N 3.33Å; K537-S539 PolarHBondContact O-N 3.5Å; K537-S539 PolarHBondContact O-OG 3.22Å | ||
| 538 | D | 34.1 | Very low | 46.8 | Very low | 139 Ų | 139 | 120.8 Ų | 120.8 | 74% | 0.743 | 62% | 0.623 | S | S | * | * | trans | -87.4 | 66.6 | -167.6 | -139.2 | -6 | 0 | 0 | 0 | 114.7 | R540 | D538-R540 VanDerWaalsContact C-N 3.32Å; D538-R540 PolarHBondContact O-N 3.11Å | ||
| 539 | S | 31.4 | Very low | 48.6 | Very low | 114 Ų | 114 | 114.2 Ų | 114.2 | 80% | 0.797 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 45.7 | -159.9 | 50.2 | 0 | 0 | 0 | 0 | 116.6 | K537 | K537-S539 VanDerWaalsContact C-N 3.33Å; K537-S539 PolarHBondContact O-N 3.5Å; K537-S539 PolarHBondContact O-OG 3.22Å |
| 540 | R | 39.6 | Very low | 50.4 | Low | 181 Ų | 181 | 109.5 Ų | 109.5 | 68% | 0.683 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | -16.9 | -177.1 | -65.3 | -172.6 | -179.3 | -179.8 | 3.6 | 118.3 | D538 | D538-R540 VanDerWaalsContact C-N 3.32Å; D538-R540 PolarHBondContact O-N 3.11Å |
| 541 | N | 37.3 | Very low | 52.4 | Low | 141 Ų | 141 | 109.6 Ų | 109.6 | 75% | 0.754 | 55% | 0.552 | S | S | * | * | trans | -100.1 | -5.5 | -158.1 | -77.1 | -23.4 | 0 | 0 | 0 | 118.6 | ||||
| 542 | I | 39.2 | Very low | 54.4 | Low | 116 Ų | 116 | 108.5 Ų | 108.5 | 60% | 0.595 | 53% | 0.533 | S | S | * | . | trans | -102.5 | 87.5 | -177.7 | -53.6 | 171.1 | 0 | 0 | 0 | 111.7 | I529 | I529-I542 HydrophobicContact CD1-CG2 3.95Š| ||
| 543 | R | 52.4 | Low | 55.2 | Low | 108 Ų | 108 | 107.5 Ų | 107.5 | 41% | 0.408 | 53% | 0.528 | S | S | . | . | trans | -99.7 | 3.6 | -176.7 | -64.8 | -165 | -177.7 | -148.8 | 0.7 | 116.4 | D490 R493 | D490-R543 PolarHBondContact O-NH1 3.41Å; D490-R543 IonicContact OD1-CZ 2.77Å; D490-R543 IonicContact OD1-NH1 3.7Å; D490-R543 PolarHBondContact OD1-NH1 2.83Å; D490-R543 IonicContact OD2-NH1 3.61Å; D490-R543 PolarHBondContact OD2-NH1 2.96Å; R493-R543 WeakPolarHBondContact CB-O 3.23Å; R493-R543 HydrophobicContact CG-CB 4.35Å; R493-R543 PolarHBondContact N-O 2.54Å | ||
| 544 | S | 52.3 | Low | 55.3 | Low | 69 Ų | 69 | 105.6 Ų | 105.6 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 84.3 | 179.1 | 52 | 0 | 0 | 0 | 0 | 112.7 | ||
| 545 | K | 69.2 | Low | 55.5 | Low | 107 Ų | 107 | 105.3 Ų | 105.3 | 47% | 0.465 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -11.1 | -174.2 | -69.2 | -169 | 174 | -170.3 | 0 | 115.8 | R493 E526 I527 | R493-K545 PolarHBondContact O-N 3.09Å; E526-K545 CarbonylContact C-O 3.59Å; E526-K545 WeakPolarHBondContact CA-O 3.39Å; E526-K545 WeakPolarHBondContact CG-O 3.45Å; I527-K545 PolarHBondContact N-O 3.35Å |
| 546 | Y | 84.4 | Confident | 55.4 | Low | 15 Ų | 15 | 108.8 Ų | 108.8 | 6% | 0.059 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 144.3 | -168.8 | -58.1 | -68.1 | 0 | 0 | 0 | 114.1 | F453 I492 R493 G494 W495 F523 E526 | F453-Y546 AromaticContact CE2-CD2 3.8Å; F453-Y546 HydrophobicContact CE2-CD2 3.8Å; F453-Y546 HydrophobicContact CE2-CG 4.06Å; F453-Y546 AromaticContact CZ-CD2 3.8Å; F453-Y546 HydrophobicContact CZ-CD2 3.8Å; F453-Y546 HydrophobicContact CZ-CG 4.24Å; I492-Y546 HydrophobicContact CG2-CD2 3.75Å; I492-Y546 HydrophobicContact CG2-CE2 3.68Å; R493-Y546 PolarHBondContact O-N 3.37Å; G494-Y546 CarbonylContact C-O 3.43Å; G494-Y546 VanDerWaalsContact CA-O 3.27Å; G494-Y546 WeakPolarHBondContact CA-O 3.38Å; W495-Y546 PolarHBondContact N-O 2.88Å; F523-Y546 AromaticContact CE2-CD1 3.58Å; F523-Y546 HydrophobicContact CE2-CD1 3.58Å; F523-Y546 HydrophobicContact CE2-CE1 4.23Å; F523-Y546 HydrophobicContact CE2-CG 4.25Å; F523-Y546 AromaticContact CZ-CD1 3.95Å; F523-Y546 HydrophobicContact CZ-CD1 3.95Å; F523-Y546 HydrophobicContact CZ-CE1 4.43Å; E526-Y546 HydrophobicContact CB-CD1 4.13Å; E526-Y546 HydrophobicContact CB-CE1 4.01Å; E526-Y546 HydrophobicContact CG-CD1 4.04Å; E526-Y546 HydrophobicContact CG-CE1 3.61Å; E526-Y546 WeakPolarHBondContact OE1-CE1 3.36Å; E526-Y546 PolarHBondContact OE1-OH 3.42Å |
| 547 | M | 86.8 | Confident | 55.2 | Low | 24 Ų | 24 | 106 Ų | 106 | 12% | 0.118 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 127.1 | 172.7 | -157.1 | 178.7 | 87.8 | 0 | 0 | 109.5 | W495 P497 K524 R525 I527 | W495-M547 WeakPolarHBondContact O-CA 2.98Å; P497-M547 HydrophobicContact CG-CG 4.48Å; K524-M547 WeakPolarHBondContact CA-O 3.38Å; K524-M547 HydrophobicContact CB-CE 4.48Å; K524-M547 WeakPolarHBondContact CB-O 3.45Å; K524-M547 HydrophobicContact CD-CE 3.66Å; K524-M547 HydrophobicContact CG-CE 3.88Å; K524-M547 PolarHBondContact N-O 3.32Å; K524-M547 VanDerWaalsContact N-O 3.07Å; R525-M547 HydrophobicContact CG-CB 3.8Å; R525-M547 HydrophobicContact CG-CE 4.08Å; R525-M547 HydrophobicContact CG-SD 4.35Å; R525-M547 PolarHBondContact N-O 3.08Å; R525-M547 VanDerWaalsContact N-O 3.13Å; R525-M547 PolarHBondContact NE-SD 3.05Å; R525-M547 PolarHBondContact O-N 3.3Å; I527-M547 HydrophobicContact CD1-CB 4.02Å; I527-M547 HydrophobicContact CG1-CB 4.01Å |
| 548 | L | 90.1 | Very high | 55.1 | Low | 0 Ų | 0 | 105.2 Ų | 105.2 | 0% | 0 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 164.4 | -167.9 | -54.8 | 178.1 | 0 | 0 | 0 | 110.3 | F453 I472 I486 W495 I496 M521 F523 | F453-L548 HydrophobicContact CD2-CD1 4.37Å; F453-L548 HydrophobicContact CE1-CD1 4.2Å; F453-L548 HydrophobicContact CE2-CD1 4.02Å; F453-L548 HydrophobicContact CE2-CD2 4.47Å; F453-L548 HydrophobicContact CZ-CD1 3.93Å; I472-L548 HydrophobicContact CD1-CD1 4.13Å; I472-L548 HydrophobicContact CD1-CD2 3.82Å; I486-L548 HydrophobicContact CB-CD1 4.42Å; I486-L548 HydrophobicContact CG2-CD1 4.47Å; W495-L548 PolarHBondContact O-N 3.22Å; I496-L548 HydrophobicContact CD1-CB 4.49Å; I496-L548 HydrophobicContact CG1-CB 3.82Å; M521-L548 HydrophobicContact CG-CD1 4.45Å; M521-L548 HydrophobicContact SD-CB 4.19Å; M521-L548 HydrophobicContact SD-CD1 3.52Å; M521-L548 VanDerWaalsContact SD-CD1 3.52Å; M521-L548 HydrophobicContact SD-CG 4.44Å; F523-L548 HydrophobicContact CB-CD2 4.5Å; F523-L548 HydrophobicContact CD2-CD2 3.87Å; F523-L548 HydrophobicContact CG-CD2 4.47Å |
| 549 | S | 89.1 | Confident | 54.8 | Low | 5 Ų | 5 | 105.5 Ų | 105.5 | 4% | 0.035 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 147.3 | -175.6 | -167.7 | 0 | 0 | 0 | 0 | 113 | E500 K522 K551 | E500-S549 PolarHBondContact O-OG 3.22Å; E500-S549 VanDerWaalsContact OE2-CB 3.29Å; E500-S549 WeakPolarHBondContact OE2-CB 3.3Å; E500-S549 PolarHBondContact OE2-OG 2.93Å; K522-S549 PolarHBondContact N-O 2.78Å; K522-S549 PolarHBondContact O-N 3.36Å; S549-K551 PolarHBondContact OG-N 2.87Å |
| 550 | L | 88.2 | Confident | 54.5 | Low | 22 Ų | 22 | 107.2 Ų | 107.2 | 12% | 0.115 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -99.7 | -1.7 | 170.2 | -55.4 | 179.6 | 0 | 0 | 0 | 111.9 | L484 I496 E500 T501 F513 L519 M521 F552 | L484-L550 HydrophobicContact CD1-CD1 4.33Å; I496-L550 HydrophobicContact CD1-CD1 4.49Å; I496-L550 HydrophobicContact CD1-CD2 3.98Å; I496-L550 HydrophobicContact CD1-CG 4.04Å; I496-L550 HydrophobicContact CG2-CG 4.45Å; E500-L550 PolarHBondContact O-N 3.36Å; T501-L550 WeakPolarHBondContact O-CB 3.03Å; F513-L550 HydrophobicContact CE1-CD1 3.77Å; F513-L550 HydrophobicContact CZ-CD1 3.51Å; L519-L550 HydrophobicContact CD1-CD1 4.11Å; L519-L550 HydrophobicContact CD1-CD2 4.19Å; M521-L550 HydrophobicContact CB-CD2 3.69Å; L550-F552 WeakPolarHBondContact O-CD2 3.47Å; L550-F552 WeakPolarHBondContact O-CE2 3.46Å; L550-F552 PolarHBondContact O-N 2.72Å |
| 551 | K | 83.5 | Confident | 54.2 | Low | 104 Ų | 104 | 106.3 Ų | 106.3 | 45% | 0.452 | 52% | 0.523 | S | S | . | . | trans | -80.7 | 83.7 | 176.4 | -72.1 | -178.7 | 169.2 | 173.5 | 0 | 110.8 | R499 S549 H553 | R499-K551 WeakPolarHBondContact O-CE 3.36Å; R499-K551 PolarHBondContact O-NZ 3.47Å; S549-K551 PolarHBondContact OG-N 2.87Å; K551-H553 PolarHBondContact O-N 3.13Å | ||
| 552 | F | 72.6 | Confident | 54 | Low | 92 Ų | 92 | 105.4 Ų | 105.4 | 40% | 0.404 | 53% | 0.527 | S | S | . | . | trans | -69.9 | -26 | -178.8 | -61.2 | -76.9 | 0 | 0 | 0 | 114.7 | L471 K520 K522 L550 | L471-F552 HydrophobicContact CD2-CD1 3.85Å; L471-F552 HydrophobicContact CD2-CE1 3.96Å; K520-F552 HydrophobicContact CB-CZ 4.39Å; K520-F552 WeakPolarHBondContact O-CZ 3.31Å; K522-F552 HydrophobicContact CB-CD1 4.44Å; L550-F552 WeakPolarHBondContact O-CD2 3.47Å; L550-F552 WeakPolarHBondContact O-CE2 3.46Å; L550-F552 PolarHBondContact O-N 2.72Å | ||
| 553 | H | 55.5 | Low | 54 | Low | 154 Ų | 154 | 104.9 Ų | 104.9 | 71% | 0.713 | 52% | 0.524 | S | S | * | . | trans | -121.8 | 126 | -173.5 | -82 | 35.6 | 0 | 0 | 0 | 112.1 | K551 | K551-H553 PolarHBondContact O-N 3.13Š| ||
| 554 | S | 33.6 | Very low | 53.8 | Low | 123 Ų | 123 | 106.3 Ų | 106.3 | 86% | 0.86 | 53% | 0.534 | S | S | * | . | trans | -90.2 | 93.4 | 161.7 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 555 | K | 34.1 | Very low | 53.9 | Low | 187 Ų | 187 | 105.3 Ų | 105.3 | 81% | 0.813 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 120.4 | 164.1 | -82.2 | -172.1 | 173.8 | 179.5 | 0 | 108.2 | ||
| 556 | K | 29.5 | Very low | 53.1 | Low | 197 Ų | 197 | 107.8 Ų | 107.8 | 86% | 0.857 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 152.1 | 172.8 | -70 | -178.2 | 176.6 | -179.3 | 0 | 110.2 | K558 | K556-K558 PolarHBondContact O-N 3.18Š|
| 557 | T | 26.9 | Very low | 52.2 | Low | 122 Ų | 122 | 110.5 Ų | 110.5 | 75% | 0.748 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 132 | 177.4 | 10.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 558 | K | 26.8 | Very low | 51.5 | Low | 189 Ų | 189 | 109.6 Ų | 109.6 | 82% | 0.822 | 56% | 0.559 | S | S | * | * | trans | -107.2 | 117.8 | 136.2 | -81 | -167.2 | 172.4 | -171.6 | 0 | 106.5 | K556 M560 | K556-K558 PolarHBondContact O-N 3.18Å; K558-M560 PolarHBondContact O-N 3.16Å | ||
| 559 | N | 27.5 | Very low | 51 | Low | 146 Ų | 146 | 116 Ų | 116 | 78% | 0.781 | 59% | 0.588 | S | S | * | * | trans | -68 | 112 | 168.8 | -69.7 | 0.7 | 0 | 0 | 0 | 107.2 | ||||
| 560 | M | 26.2 | Very low | 50.8 | Low | 150 Ų | 150 | 117.6 Ų | 117.6 | 74% | 0.739 | 60% | 0.596 | S | S | * | * | trans | -135.8 | 108.7 | 175.9 | -93 | -70.9 | 158.2 | 0 | 0 | 108.7 | K558 | K558-M560 PolarHBondContact O-N 3.16Š| ||
| 561 | Q | 33.1 | Very low | 50.6 | Low | 162 Ų | 162 | 116.8 Ų | 116.8 | 76% | 0.757 | 59% | 0.593 | S | S | * | * | trans | 57.8 | 52.4 | 160.8 | -61.1 | 175 | -21.2 | 0 | 0 | 116.8 | I563 | Q561-I563 HydrophobicContact CG-CD1 4.43Å; Q561-I563 PolarHBondContact O-N 3.38Å | ||
| 562 | S | 34 | Very low | 50.7 | Low | 122 Ų | 122 | 114.8 Ų | 114.8 | 85% | 0.853 | 59% | 0.585 | S | S | * | * | trans | -75.6 | 45.7 | 159.1 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 563 | I | 37.3 | Very low | 51.3 | Low | 104 Ų | 104 | 111.6 Ų | 111.6 | 53% | 0.533 | 57% | 0.572 | S | S | . | * | trans | -105.7 | 128.7 | -163.8 | -68.7 | 174 | 0 | 0 | 0 | 109.7 | Q561 L565 | Q561-I563 HydrophobicContact CG-CD1 4.43Å; Q561-I563 PolarHBondContact O-N 3.38Å; I563-L565 PolarHBondContact O-N 2.71Å | ||
| 564 | F | 50 | Low | 52.8 | Low | 138 Ų | 138 | 104.5 Ų | 104.5 | 61% | 0.605 | 54% | 0.539 | S | S | * | . | S | Bend | trans | 62.2 | 1.9 | 173.2 | -64.3 | -55.6 | 0 | 0 | 0 | 121.7 | N566 S567 L603 | F564-N566 PolarHBondContact O-N 3.33Å; F564-S567 PolarHBondContact O-N 3.35Å; F564-S567 PolarHBondContact O-OG 3.36Å; F564-L603 WeakPolarHBondContact CB-O 3.38Å |
| 565 | L | 53.6 | Low | 55.1 | Low | 48 Ų | 48 | 102.9 Ų | 102.9 | 25% | 0.251 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -57.6 | -18.9 | 171.5 | -80.6 | 176.6 | 0 | 0 | 0 | 115.3 | I563 K650 V655 | I563-L565 PolarHBondContact O-N 2.71Å; L565-K650 WeakPolarHBondContact O-CE 3.45Å; L565-K650 PolarHBondContact O-NZ 3.15Å; L565-V655 HydrophobicContact CD2-CG2 3.45Å; L565-V655 VanDerWaalsContact CD2-CG2 3.45Å |
| 566 | N | 53.5 | Low | 57.4 | Low | 159 Ų | 159 | 94.3 Ų | 94.3 | 85% | 0.85 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -71 | -28.7 | 179.6 | -75.6 | 3.7 | 0 | 0 | 0 | 114 | F564 V568 | F564-N566 PolarHBondContact O-N 3.33Å; N566-V568 VanDerWaalsContact C-N 3.34Å; N566-V568 PolarHBondContact O-N 3Å |
| 567 | S | 64.7 | Low | 60.1 | Low | 73 Ų | 73 | 85.9 Ų | 85.9 | 51% | 0.51 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -80.7 | -11.6 | -177.1 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | F564 | F564-S567 PolarHBondContact O-N 3.35Å; F564-S567 PolarHBondContact O-OG 3.36Å |
| 568 | V | 72.4 | Confident | 62.9 | Low | 5 Ų | 5 | 80.1 Ų | 80.1 | 3% | 0.03 | 41% | 0.408 | C | S | . | . | trans | -78 | 125.6 | -177.6 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | N566 F574 V647 K650 V655 | N566-V568 VanDerWaalsContact C-N 3.34Å; N566-V568 PolarHBondContact O-N 3Å; V568-F574 HydrophobicContact CG1-CE2 4.1Å; V568-F574 HydrophobicContact CG1-CZ 4.24Å; V568-F574 HydrophobicContact CG2-CZ 4.3Å; V568-V647 HydrophobicContact CG1-CG1 4.29Å; V568-V647 HydrophobicContact CG1-CG2 3.7Å; V568-K650 WeakPolarHBondContact O-CD 3.44Å; V568-K650 WeakPolarHBondContact O-CE 3.48Å; V568-K650 PolarHBondContact O-NZ 3.14Å; V568-V655 HydrophobicContact CG1-CG1 4.15Å; V568-V655 HydrophobicContact CG1-CG2 4.33Å | ||
| 569 | Q | 79.6 | Confident | 65.6 | Low | 134 Ų | 134 | 74.6 Ų | 74.6 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | trans | -110.8 | 154.9 | 175.8 | -67.5 | -176.9 | -14.9 | 0 | 0 | 112.3 | Q572 V647 | Q569-Q572 HydrophobicContact CB-CB 4.47Å; Q569-Q572 WeakPolarHBondContact O-CB 3.33Å; Q569-Q572 PolarHBondContact O-N 3.33Å; Q569-V647 WeakPolarHBondContact O-CB 3.47Å | ||
| 570 | I | 84.5 | Confident | 68.4 | Low | 39 Ų | 39 | 72.5 Ų | 72.5 | 20% | 0.2 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 136.5 | 174.3 | -64.6 | 157.4 | 0 | 0 | 0 | 109.2 | Q572 V647 K650 F692 R694 P722 A723 | I570-Q572 VanDerWaalsContact C-N 3.31Å; I570-V647 HydrophobicContact CG1-CG1 4.38Å; I570-K650 HydrophobicContact CD1-CB 4.48Å; I570-K650 HydrophobicContact CG1-CB 4.28Å; I570-F692 HydrophobicContact CG2-CE1 4.12Å; I570-R694 PolarHBondContact O-NH1 2.94Å; I570-P722 HydrophobicContact CG2-CB 4.39Å; I570-A723 HydrophobicContact CD1-CB 3.95Å; I570-A723 HydrophobicContact CG2-CB 4.2Å |
| 571 | G | 83.2 | Confident | 71.1 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 21.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V647 R694 | G571-V647 PolarHBondContact N-O 3.01Å; G571-R694 PolarHBondContact O-NH1 3.41Å; G571-R694 PolarHBondContact O-NH2 3.49Å |
| 572 | Q | 85.8 | Confident | 73.6 | Confident | 62 Ų | 62 | 63 Ų | 63 | 29% | 0.29 | 33% | 0.33 | S | S | . | . | trans | -89 | 143.3 | 168.4 | -169.4 | 174.9 | 7.7 | 0 | 0 | 110.3 | Q569 I570 F574 V646 V647 | Q569-Q572 HydrophobicContact CB-CB 4.47Å; Q569-Q572 WeakPolarHBondContact O-CB 3.33Å; Q569-Q572 PolarHBondContact O-N 3.33Å; I570-Q572 VanDerWaalsContact C-N 3.31Å; Q572-F574 HydrophobicContact CB-CE2 3.86Å; Q572-F574 HydrophobicContact CB-CZ 4.41Å; Q572-F574 HydrophobicContact CG-CD2 4.37Å; Q572-F574 HydrophobicContact CG-CE2 3.61Å; Q572-F574 HydrophobicContact CG-CZ 3.76Å; Q572-V646 WeakPolarHBondContact O-CA 3.48Å; Q572-V647 PolarHBondContact O-N 3.3Å | ||
| 573 | L | 86.2 | Confident | 75.9 | Confident | 26 Ų | 26 | 63.8 Ų | 63.8 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.9 | -176.2 | -72.1 | 166.5 | 0 | 0 | 0 | 111.4 | K593 N644 V645 V646 V664 A667 | L573-K593 HydrophobicContact CB-CD 4.28Å; L573-N644 HydrophobicContact CD2-CB 4.16Å; L573-V645 WeakPolarHBondContact CA-O 3.23Å; L573-V646 HydrophobicContact CD2-CB 3.82Å; L573-V646 HydrophobicContact CD2-CG2 4.25Å; L573-V664 HydrophobicContact CD2-CG1 3.99Å; L573-A667 HydrophobicContact CD2-CB 4.4Å; L573-A667 HydrophobicContact CG-CB 4.37Å |
| 574 | F | 85.5 | Confident | 78 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 2% | 0.022 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.1 | -179.1 | -65.7 | -87.8 | 0 | 0 | 0 | 111.8 | V568 Q572 L590 Y591 L603 N644 V645 V647 | V568-F574 HydrophobicContact CG1-CE2 4.1Å; V568-F574 HydrophobicContact CG1-CZ 4.24Å; V568-F574 HydrophobicContact CG2-CZ 4.3Å; Q572-F574 HydrophobicContact CB-CE2 3.86Å; Q572-F574 HydrophobicContact CB-CZ 4.41Å; Q572-F574 HydrophobicContact CG-CD2 4.37Å; Q572-F574 HydrophobicContact CG-CE2 3.61Å; Q572-F574 HydrophobicContact CG-CZ 3.76Å; F574-L590 HydrophobicContact CB-CB 4.42Å; F574-L590 HydrophobicContact CB-CD2 3.93Å; F574-L590 HydrophobicContact CD1-CB 4.18Å; F574-L590 HydrophobicContact CD2-CD1 4.45Å; F574-L590 HydrophobicContact CG-CB 4.32Å; F574-L590 HydrophobicContact CG-CD2 4.31Å; F574-Y591 WeakPolarHBondContact CA-O 3.22Å; F574-Y591 WeakPolarHBondContact CB-O 3.38Å; F574-Y591 WeakPolarHBondContact CD1-O 3.27Å; F574-L603 HydrophobicContact CD1-CD1 4.26Å; F574-L603 HydrophobicContact CE1-CD1 3.96Å; F574-N644 CarbonylContact O-C 3.26Å; F574-N644 VanDerWaalsContact O-CA 3.32Å; F574-N644 WeakPolarHBondContact O-CA 3.23Å; F574-V645 HydrophobicContact CB-CG2 4.16Å; F574-V645 PolarHBondContact N-O 3.34Å; F574-V645 PolarHBondContact O-N 2.99Å; F574-V647 HydrophobicContact CD2-CG2 4Å; F574-V647 HydrophobicContact CE2-CG2 3.69Å |
| 575 | R | 83.1 | Confident | 79.7 | Confident | 88 Ų | 88 | 56.6 Ų | 56.6 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 151 | 159.1 | -76.2 | 172.9 | 169.6 | 157.5 | -6.2 | 108.9 | Y591 I595 N596 | R575-Y591 PolarHBondContact N-O 2.88Å; R575-Y591 PolarHBondContact O-N 3.33Å; R575-I595 PolarHBondContact NH1-O 3.05Å; R575-N596 PolarHBondContact NH1-OD1 2.85Å; R575-N596 PolarHBondContact NH2-OD1 3.42Å |
| 576 | A | 83.1 | Confident | 81.3 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 141.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L588 N589 L590 V645 | A576-L588 HydrophobicContact CB-CB 4.22Å; A576-L588 HydrophobicContact CB-CD1 3.95Å; A576-N589 VanDerWaalsContact CA-O 3.3Å; A576-N589 WeakPolarHBondContact CA-O 3.46Å; A576-L590 HydrophobicContact CB-CD2 4.48Å; A576-V645 HydrophobicContact CB-CG1 4.25Å; A576-V645 HydrophobicContact CB-CG2 3.9Å |
| 577 | T | 85.5 | Confident | 82.9 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150.3 | 167.7 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | N579 L588 N589 Y591 S634 T635 | T577-N579 PolarHBondContact O-N 3.11Å; T577-L588 CarbonylContact O-C 3.57Å; T577-L588 VanDerWaalsContact O-CA 3.29Å; T577-L588 WeakPolarHBondContact O-CA 3.26Å; T577-N589 PolarHBondContact N-O 2.86Å; T577-N589 VanDerWaalsContact N-O 3.13Å; T577-N589 PolarHBondContact O-N 3.17Å; T577-Y591 HydrophobicContact CG2-CE2 3.87Å; T577-Y591 WeakPolarHBondContact OG1-CE2 3.37Å; T577-Y591 PolarHBondContact OG1-OH 3.39Å; T577-S634 CarbonylContact C-O 3.5Å; T577-S634 VanDerWaalsContact CA-O 3.23Å; T577-S634 WeakPolarHBondContact CA-O 3.3Å; T577-S634 WeakPolarHBondContact CB-O 3.21Å; T577-T635 HydrophobicContact CG2-CG2 3.87Å |
| 578 | V | 84.5 | Confident | 84 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 115.8 | -178.9 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | V581 I586 L588 I630 P632 G633 S634 | V578-V581 HydrophobicContact CG1-CG2 4Å; V578-I586 HydrophobicContact CB-CG2 4.48Å; V578-I586 HydrophobicContact CG1-CG2 3.83Å; V578-I586 HydrophobicContact CG2-CG2 4.22Å; V578-L588 HydrophobicContact CG2-CD2 4.13Å; V578-I630 HydrophobicContact CG2-CG2 4.03Å; V578-P632 CarbonylContact O-C 3.39Å; V578-P632 WeakPolarHBondContact O-CA 3.44Å; V578-G633 PolarHBondContact O-N 3.36Å; V578-S634 PolarHBondContact N-O 3.41Å |
| 579 | N | 84.3 | Confident | 84.6 | Confident | 72 Ų | 72 | 45.4 Ų | 45.4 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -54.7 | 172.5 | -175.6 | -30.3 | 0 | 0 | 0 | 110.1 | T577 S587 N589 | T577-N579 PolarHBondContact O-N 3.11Å; N579-S587 WeakPolarHBondContact CA-O 3.4Å; N579-S587 WeakPolarHBondContact CB-O 3.46Å; N579-S587 PolarHBondContact N-O 3.13Å; N579-N589 PolarHBondContact ND2-OD1 3.12Å |
| 580 | Q | 85.7 | Confident | 84.8 | Confident | 103 Ų | 103 | 39.1 Ų | 39.1 | 48% | 0.481 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 134.1 | -179.9 | -167.4 | -167.7 | 18.1 | 0 | 0 | 110.8 | Q582 S587 | Q580-Q582 HydrophobicContact CG-CG 4.45Å; Q580-S587 PolarHBondContact N-O 2.87Å; Q580-S587 VanDerWaalsContact N-O 3.1Å; Q580-S587 PolarHBondContact O-N 2.87Å |
| 581 | V | 84.2 | Confident | 84.6 | Confident | 40 Ų | 40 | 40 Ų | 40 | 24% | 0.242 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 137.8 | 167.7 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | V578 I586 F610 K628 | V578-V581 HydrophobicContact CG1-CG2 4Å; V581-I586 HydrophobicContact CG2-CG2 4.47Å; V581-F610 HydrophobicContact CG1-CZ 4.45Å; V581-K628 HydrophobicContact CG1-CG 4.29Å |
| 582 | Q | 84.8 | Confident | 84.2 | Confident | 72 Ų | 72 | 42.2 Ų | 42.2 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | trans | -130 | 168.6 | 178.1 | -59.8 | -176.6 | -4 | 0 | 0 | 110.2 | Q580 T584 G585 S587 F610 | Q580-Q582 HydrophobicContact CG-CG 4.45Å; Q582-T584 PolarHBondContact O-N 2.6Å; Q582-G585 CarbonylContact C-O 3.59Å; Q582-G585 WeakPolarHBondContact CA-O 3.22Å; Q582-G585 PolarHBondContact N-O 2.65Å; Q582-G585 PolarHBondContact O-N 2.81Å; Q582-S587 PolarHBondContact NE2-OG 3.48Å; Q582-F610 VanDerWaalsContact O-CE2 3.27Å; Q582-F610 WeakPolarHBondContact O-CE2 3.38Å; Q582-F610 WeakPolarHBondContact O-CZ 3.45Å | ||
| 583 | D | 81.8 | Confident | 83.3 | Confident | 139 Ų | 139 | 43 Ų | 43 | 74% | 0.743 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -64.9 | -24.5 | -175.4 | -75.8 | -50.5 | 0 | 0 | 0 | 114.7 | F610 K628 | D583-F610 WeakPolarHBondContact O-CE2 3.4Å; D583-K628 PolarHBondContact O-NZ 3.41Å |
| 584 | T | 81.4 | Confident | 82.2 | Confident | 91 Ų | 91 | 47 Ų | 47 | 56% | 0.558 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -108.6 | -10.1 | -175.2 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | Q582 S609 F610 | Q582-T584 PolarHBondContact O-N 2.6Å; T584-S609 PolarHBondContact O-OG 2.88Å; T584-F610 PolarHBondContact O-N 2.84Å |
| 585 | G | 85.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.2 | -158.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q582 L608 F610 | Q582-G585 CarbonylContact C-O 3.59Å; Q582-G585 WeakPolarHBondContact CA-O 3.22Å; Q582-G585 PolarHBondContact N-O 2.65Å; Q582-G585 PolarHBondContact O-N 2.81Å; G585-L608 CarbonylContact C-O 3.55Å; G585-L608 VanDerWaalsContact CA-O 3.28Å; G585-L608 WeakPolarHBondContact CA-O 3.47Å; G585-F610 VanDerWaalsContact N-CE2 3.26Å |
| 586 | I | 87.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.4 | -171.2 | -33.6 | 165.8 | 0 | 0 | 0 | 109.4 | V578 V581 L588 F607 L608 F610 L613 I627 L636 | V578-I586 HydrophobicContact CB-CG2 4.48Å; V578-I586 HydrophobicContact CG1-CG2 3.83Å; V578-I586 HydrophobicContact CG2-CG2 4.22Å; V581-I586 HydrophobicContact CG2-CG2 4.47Å; I586-L588 HydrophobicContact CB-CD2 4.06Å; I586-L588 HydrophobicContact CB-CG 4.45Å; I586-L588 HydrophobicContact CG2-CD2 3.59Å; I586-L588 HydrophobicContact CG2-CG 4.43Å; I586-F607 WeakPolarHBondContact O-CA 3.48Å; I586-L608 HydrophobicContact CD1-CD2 4.32Å; I586-L608 PolarHBondContact N-O 3.02Å; I586-L608 PolarHBondContact O-N 2.94Å; I586-F610 HydrophobicContact CG1-CD1 4.43Å; I586-F610 HydrophobicContact CG1-CE1 3.89Å; I586-L613 HydrophobicContact CD1-CD2 4.19Å; I586-I627 HydrophobicContact CD1-CG2 3.51Å; I586-I627 HydrophobicContact CG1-CG2 4.09Å; I586-L636 HydrophobicContact CD1-CD1 4.27Å |
| 587 | S | 87.7 | Confident | 77.6 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 125.6 | 164.2 | -60.4 | 0 | 0 | 0 | 0 | 109 | N579 Q580 Q582 | N579-S587 WeakPolarHBondContact CA-O 3.4Å; N579-S587 WeakPolarHBondContact CB-O 3.46Å; N579-S587 PolarHBondContact N-O 3.13Å; Q580-S587 PolarHBondContact N-O 2.87Å; Q580-S587 VanDerWaalsContact N-O 3.1Å; Q580-S587 PolarHBondContact O-N 2.87Å; Q582-S587 PolarHBondContact NE2-OG 3.48Å |
| 588 | L | 86.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143.8 | -175.1 | -58.7 | -179.1 | 0 | 0 | 0 | 111.3 | A576 T577 V578 I586 T605 G606 L608 L636 V645 L657 | A576-L588 HydrophobicContact CB-CB 4.22Å; A576-L588 HydrophobicContact CB-CD1 3.95Å; T577-L588 CarbonylContact O-C 3.57Å; T577-L588 VanDerWaalsContact O-CA 3.29Å; T577-L588 WeakPolarHBondContact O-CA 3.26Å; V578-L588 HydrophobicContact CG2-CD2 4.13Å; I586-L588 HydrophobicContact CB-CD2 4.06Å; I586-L588 HydrophobicContact CB-CG 4.45Å; I586-L588 HydrophobicContact CG2-CD2 3.59Å; I586-L588 HydrophobicContact CG2-CG 4.43Å; L588-T605 VanDerWaalsContact O-CA 3.24Å; L588-T605 WeakPolarHBondContact O-CA 3.23Å; L588-G606 PolarHBondContact N-O 3.02Å; L588-G606 PolarHBondContact O-N 2.88Å; L588-L608 HydrophobicContact CD1-CB 3.7Å; L588-L608 HydrophobicContact CD1-CD2 3.79Å; L588-L608 HydrophobicContact CD1-CG 4.4Å; L588-L608 HydrophobicContact CG-CB 4.33Å; L588-L636 HydrophobicContact CD1-CD1 3.65Å; L588-L636 HydrophobicContact CD2-CD1 3.72Å; L588-L636 HydrophobicContact CG-CD1 4.37Å; L588-V645 HydrophobicContact CD1-CG1 4.18Å; L588-L657 HydrophobicContact CB-CD1 4.09Å; L588-L657 HydrophobicContact CD1-CD1 3.9Å; L588-L657 HydrophobicContact CG-CD1 4.39Å |
| 589 | N | 85.8 | Confident | 74.3 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 15% | 0.15 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 132.6 | 166.5 | -68.5 | -27.8 | 0 | 0 | 0 | 109.3 | A576 T577 N579 Y591 V602 | A576-N589 VanDerWaalsContact CA-O 3.3Å; A576-N589 WeakPolarHBondContact CA-O 3.46Å; T577-N589 PolarHBondContact N-O 2.86Å; T577-N589 VanDerWaalsContact N-O 3.13Å; T577-N589 PolarHBondContact O-N 3.17Å; N579-N589 PolarHBondContact ND2-OD1 3.12Å; N589-Y591 HydrophobicContact CB-CE2 3.84Å; N589-Y591 WeakPolarHBondContact O-CE2 3.33Å; N589-V602 HydrophobicContact CB-CG1 3.74Å; N589-V602 HydrophobicContact CB-CG2 4Å |
| 590 | L | 83.2 | Confident | 72.8 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.4 | -175.9 | -61.6 | 177.8 | 0 | 0 | 0 | 112.8 | F574 A576 L603 G604 V645 L657 | F574-L590 HydrophobicContact CB-CB 4.42Å; F574-L590 HydrophobicContact CB-CD2 3.93Å; F574-L590 HydrophobicContact CD1-CB 4.18Å; F574-L590 HydrophobicContact CD2-CD1 4.45Å; F574-L590 HydrophobicContact CG-CB 4.32Å; F574-L590 HydrophobicContact CG-CD2 4.31Å; A576-L590 HydrophobicContact CB-CD2 4.48Å; L590-L603 PolarHBondContact O-N 3.2Å; L590-G604 PolarHBondContact N-O 2.77Å; L590-V645 HydrophobicContact CD2-CG2 3.85Å; L590-L657 HydrophobicContact CD1-CD2 4.3Å; L590-L657 HydrophobicContact CD2-CD1 3.84Å; L590-L657 HydrophobicContact CD2-CD2 4.12Å |
| 591 | Y | 81 | Confident | 71.6 | Confident | 58 Ų | 58 | 68.3 Ų | 68.3 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.2 | 178.9 | -55.2 | -99.1 | 0 | 0 | 0 | 109.9 | F574 R575 T577 N589 V602 | F574-Y591 WeakPolarHBondContact CA-O 3.22Å; F574-Y591 WeakPolarHBondContact CB-O 3.38Å; F574-Y591 WeakPolarHBondContact CD1-O 3.27Å; R575-Y591 PolarHBondContact N-O 2.88Å; R575-Y591 PolarHBondContact O-N 3.33Å; T577-Y591 HydrophobicContact CG2-CE2 3.87Å; T577-Y591 WeakPolarHBondContact OG1-CE2 3.37Å; T577-Y591 PolarHBondContact OG1-OH 3.39Å; N589-Y591 HydrophobicContact CB-CE2 3.84Å; N589-Y591 WeakPolarHBondContact O-CE2 3.33Å; Y591-V602 HydrophobicContact CE1-CG2 4.13Å |
| 592 | D | 73.7 | Confident | 70.8 | Confident | 49 Ų | 49 | 69.4 Ų | 69.4 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 141.5 | 177.1 | -163.9 | -20.5 | 0 | 0 | 0 | 110.6 | N594 I595 L603 | D592-N594 VanDerWaalsContact C-N 3.26Å; D592-N594 PolarHBondContact OD1-N 2.98Å; D592-N594 PolarHBondContact OD1-ND2 3.37Å; D592-N594 PolarHBondContact OD2-ND2 3.01Å; D592-I595 HydrophobicContact CB-CD1 3.91Å; D592-I595 HydrophobicContact CB-CG1 4.02Å; D592-L603 HydrophobicContact CB-CD1 4.1Å |
| 593 | K | 67.4 | Low | 70.1 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 34% | 0.339 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -68.6 | -25.8 | 171.5 | -173.5 | 174.3 | -178.4 | 172.7 | 0 | 112.3 | L573 N644 | L573-K593 HydrophobicContact CB-CD 4.28Å; K593-N644 WeakPolarHBondContact CD-OD1 3.32Å; K593-N644 WeakPolarHBondContact CE-OD1 3.26Å; K593-N644 PolarHBondContact NZ-ND2 3.08Å |
| 594 | N | 63.1 | Low | 69.7 | Low | 112 Ų | 112 | 62.3 Ų | 62.3 | 60% | 0.599 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -88.6 | -12.4 | -173.1 | -49.6 | -55 | 0 | 0 | 0 | 114.5 | D592 | D592-N594 VanDerWaalsContact C-N 3.26Å; D592-N594 PolarHBondContact OD1-N 2.98Å; D592-N594 PolarHBondContact OD1-ND2 3.37Å; D592-N594 PolarHBondContact OD2-ND2 3.01Å |
| 595 | I | 59.2 | Low | 69.7 | Low | 72 Ų | 72 | 61.4 Ų | 61.4 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | trans | -104.4 | 129.5 | -176.6 | -52.5 | 171 | 0 | 0 | 0 | 109.3 | R575 D592 D597 T600 | R575-I595 PolarHBondContact NH1-O 3.05Å; D592-I595 HydrophobicContact CB-CD1 3.91Å; D592-I595 HydrophobicContact CB-CG1 4.02Å; I595-D597 HydrophobicContact CG2-CB 4.34Å; I595-T600 HydrophobicContact CB-CG2 4.28Å; I595-T600 HydrophobicContact CD1-CG2 4.32Å; I595-T600 HydrophobicContact CG2-CG2 3.55Å | ||
| 596 | N | 51.7 | Low | 69.7 | Low | 124 Ų | 124 | 61.7 Ų | 61.7 | 66% | 0.663 | 35% | 0.349 | S | S | * | . | trans | -106.2 | -1.5 | -179.3 | -75.1 | -30.9 | 0 | 0 | 0 | 113.8 | R575 | R575-N596 PolarHBondContact NH1-OD1 2.85Å; R575-N596 PolarHBondContact NH2-OD1 3.42Å | ||
| 597 | D | 43.7 | Very low | 69.8 | Low | 124 Ų | 124 | 64 Ų | 64 | 66% | 0.663 | 36% | 0.359 | S | S | * | . | trans | -83.1 | 136.8 | -175.7 | -63.9 | -53.5 | 0 | 0 | 0 | 113.9 | I595 V599 T600 | I595-D597 HydrophobicContact CG2-CB 4.34Å; D597-V599 PolarHBondContact O-N 3.17Å; D597-T600 PolarHBondContact O-OG1 3.26Å | ||
| 598 | T | 49.3 | Very low | 69.9 | Low | 141 Ų | 141 | 62.9 Ų | 62.9 | 87% | 0.865 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 10.9 | -170.2 | 50.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 599 | V | 51.7 | Low | 70 | Confident | 132 Ų | 132 | 64.3 Ų | 64.3 | 80% | 0.8 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132 | 38.8 | -175.2 | -158.3 | 0 | 0 | 0 | 0 | 111.4 | D597 | D597-V599 PolarHBondContact O-N 3.17Š|
| 600 | T | 54.3 | Low | 70.1 | Confident | 50 Ų | 50 | 64 Ų | 64 | 31% | 0.307 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 135.6 | 178.4 | 37.1 | 0 | 0 | 0 | 0 | 112.5 | I595 D597 | I595-T600 HydrophobicContact CB-CG2 4.28Å; I595-T600 HydrophobicContact CD1-CG2 4.32Å; I595-T600 HydrophobicContact CG2-CG2 3.55Å; D597-T600 PolarHBondContact O-OG1 3.26Å |
| 601 | P | 60.3 | Low | 70.2 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 66% | 0.656 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 145.1 | 172.4 | 30.3 | -34.2 | 0 | 0 | 0 | 110.8 | L603 | P601-L603 PolarHBondContact O-N 3.2Š|
| 602 | V | 65.7 | Low | 70.5 | Confident | 62 Ų | 62 | 64 Ų | 64 | 38% | 0.376 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 120.9 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | N589 Y591 G604 | N589-V602 HydrophobicContact CB-CG1 3.74Å; N589-V602 HydrophobicContact CB-CG2 4Å; Y591-V602 HydrophobicContact CE1-CG2 4.13Å; V602-G604 VanDerWaalsContact C-N 3.27Å; V602-G604 VanDerWaalsContact CG1-O 3.25Å; V602-G604 WeakPolarHBondContact CG1-O 3.33Å; V602-G604 PolarHBondContact O-N 3.17Å |
| 603 | L | 70.7 | Confident | 71.2 | Confident | 52 Ų | 52 | 61.8 Ų | 61.8 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | trans | -72.6 | -22.9 | -176.2 | -62.9 | 178 | 0 | 0 | 0 | 113 | F564 F574 L590 D592 P601 | F564-L603 WeakPolarHBondContact CB-O 3.38Å; F574-L603 HydrophobicContact CD1-CD1 4.26Å; F574-L603 HydrophobicContact CE1-CD1 3.96Å; L590-L603 PolarHBondContact O-N 3.2Å; D592-L603 HydrophobicContact CB-CD1 4.1Å; P601-L603 PolarHBondContact O-N 3.2Å | ||
| 604 | G | 74 | Confident | 72.1 | Confident | 11 Ų | 11 | 58 Ų | 58 | 11% | 0.113 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.7 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L590 V602 | L590-G604 PolarHBondContact N-O 2.77Å; V602-G604 VanDerWaalsContact C-N 3.27Å; V602-G604 VanDerWaalsContact CG1-O 3.25Å; V602-G604 WeakPolarHBondContact CG1-O 3.33Å; V602-G604 PolarHBondContact O-N 3.17Å |
| 605 | T | 82 | Confident | 73.1 | Confident | 72 Ų | 72 | 52.9 Ų | 52.9 | 44% | 0.442 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 146.8 | 170.8 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | L588 | L588-T605 VanDerWaalsContact O-CA 3.24Å; L588-T605 WeakPolarHBondContact O-CA 3.23Å |
| 606 | G | 85.1 | Confident | 74.1 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 161.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L588 V655 | L588-G606 PolarHBondContact N-O 3.02Å; L588-G606 PolarHBondContact O-N 2.88Å; G606-V655 CarbonylContact C-O 3.53Å; G606-V655 WeakPolarHBondContact CA-O 3.41Å |
| 607 | F | 90.4 | Very high | 75.5 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 21% | 0.211 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.4 | -175.5 | -177.7 | -99.5 | 0 | 0 | 0 | 110.9 | I586 V655 L657 | I586-F607 WeakPolarHBondContact O-CA 3.48Å; F607-V655 PolarHBondContact N-O 3.4Å; F607-L657 PolarHBondContact O-N 3.17Å |
| 608 | L | 89.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 105.1 | 174.9 | 178.7 | 60.2 | 0 | 0 | 0 | 109 | G585 I586 L588 Q612 L613 L636 V645 L657 A659 | G585-L608 CarbonylContact C-O 3.55Å; G585-L608 VanDerWaalsContact CA-O 3.28Å; G585-L608 WeakPolarHBondContact CA-O 3.47Å; I586-L608 HydrophobicContact CD1-CD2 4.32Å; I586-L608 PolarHBondContact N-O 3.02Å; I586-L608 PolarHBondContact O-N 2.94Å; L588-L608 HydrophobicContact CD1-CB 3.7Å; L588-L608 HydrophobicContact CD1-CD2 3.79Å; L588-L608 HydrophobicContact CD1-CG 4.4Å; L588-L608 HydrophobicContact CG-CB 4.33Å; L608-Q612 HydrophobicContact CD1-CB 3.78Å; L608-L613 HydrophobicContact CD2-CD2 3.94Å; L608-L613 HydrophobicContact CG-CD2 4.39Å; L608-L636 HydrophobicContact CD2-CD1 3.76Å; L608-V645 HydrophobicContact CD2-CG1 4.4Å; L608-L657 HydrophobicContact CB-CB 4.22Å; L608-L657 HydrophobicContact CD1-CB 4.34Å; L608-L657 VanDerWaalsContact CD1-O 3.3Å; L608-L657 WeakPolarHBondContact CD1-O 3.33Å; L608-A659 HydrophobicContact CD1-CB 4.2Å; L608-A659 HydrophobicContact CD2-CB 3.98Å |
| 609 | S | 88.5 | Confident | 78.9 | Confident | 30 Ų | 30 | 35 Ų | 35 | 21% | 0.21 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 148.9 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | T584 S611 Q612 | T584-S609 PolarHBondContact O-OG 2.88Å; S609-S611 PolarHBondContact O-N 3.13Å; S609-S611 PolarHBondContact OG-N 2.92Å; S609-S611 PolarHBondContact OG-OG 3.43Å; S609-S611 VanDerWaalsContact OG-OG 3.13Å; S609-Q612 WeakPolarHBondContact O-CA 3.47Å; S609-Q612 WeakPolarHBondContact O-CB 3.21Å; S609-Q612 PolarHBondContact O-N 2.75Å |
| 610 | F | 88 | Confident | 80.5 | Confident | 20 Ų | 20 | 29.5 Ų | 29.5 | 9% | 0.088 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -59 | -29.9 | 172.8 | -65.8 | -47.8 | 0 | 0 | 0 | 112.7 | V581 Q582 D583 T584 G585 I586 Q612 L613 I627 K628 | V581-F610 HydrophobicContact CG1-CZ 4.45Å; Q582-F610 VanDerWaalsContact O-CE2 3.27Å; Q582-F610 WeakPolarHBondContact O-CE2 3.38Å; Q582-F610 WeakPolarHBondContact O-CZ 3.45Å; D583-F610 WeakPolarHBondContact O-CE2 3.4Å; T584-F610 PolarHBondContact O-N 2.84Å; G585-F610 VanDerWaalsContact N-CE2 3.26Å; I586-F610 HydrophobicContact CG1-CD1 4.43Å; I586-F610 HydrophobicContact CG1-CE1 3.89Å; F610-Q612 PolarHBondContact O-N 2.69Å; F610-L613 HydrophobicContact CB-CD1 4.35Å; F610-L613 HydrophobicContact CD1-CD1 3.83Å; F610-L613 PolarHBondContact O-N 3.3Å; F610-I627 HydrophobicContact CE1-CG2 4.18Å; F610-K628 HydrophobicContact CE2-CD 4.47Å; F610-K628 HydrophobicContact CE2-CG 4.34Å; F610-K628 HydrophobicContact CZ-CD 4.47Å; F610-K628 HydrophobicContact CZ-CG 3.85Å |
| 611 | S | 85.2 | Confident | 81.8 | Confident | 53 Ų | 53 | 31.3 Ų | 31.3 | 37% | 0.371 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -73.7 | 1.2 | 173.1 | 64.6 | 0 | 0 | 0 | 0 | 114.1 | S609 R660 | S609-S611 PolarHBondContact O-N 3.13Å; S609-S611 PolarHBondContact OG-N 2.92Å; S609-S611 PolarHBondContact OG-OG 3.43Å; S609-S611 VanDerWaalsContact OG-OG 3.13Å; S611-R660 PolarHBondContact O-NH2 2.92Å |
| 612 | Q | 87.6 | Confident | 83 | Confident | 9 Ų | 9 | 26.5 Ų | 26.5 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -116.6 | 10.5 | 178.2 | -69.9 | -67.8 | -8.4 | 0 | 0 | 112.8 | L608 S609 F610 I648 S658 A659 R660 W708 | L608-Q612 HydrophobicContact CD1-CB 3.78Å; S609-Q612 WeakPolarHBondContact O-CA 3.47Å; S609-Q612 WeakPolarHBondContact O-CB 3.21Å; S609-Q612 PolarHBondContact O-N 2.75Å; F610-Q612 PolarHBondContact O-N 2.69Å; Q612-I648 HydrophobicContact CG-CD1 4.2Å; Q612-S658 PolarHBondContact O-OG 3.25Å; Q612-S658 PolarHBondContact OE1-OG 3.11Å; Q612-A659 PolarHBondContact O-N 3.21Å; Q612-R660 PolarHBondContact O-N 2.95Å; Q612-R660 VanDerWaalsContact OE1-CD 3.27Å; Q612-W708 VanDerWaalsContact NE2-CE2 3.28Å |
| 613 | L | 87.1 | Confident | 84 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -74.2 | -39.2 | 179.2 | -75.9 | 171.4 | 0 | 0 | 0 | 114.3 | I586 L608 F610 L623 I627 R643 | I586-L613 HydrophobicContact CD1-CD2 4.19Å; L608-L613 HydrophobicContact CD2-CD2 3.94Å; L608-L613 HydrophobicContact CG-CD2 4.39Å; F610-L613 HydrophobicContact CB-CD1 4.35Å; F610-L613 HydrophobicContact CD1-CD1 3.83Å; F610-L613 PolarHBondContact O-N 3.3Å; L613-L623 HydrophobicContact CB-CD1 4.12Å; L613-L623 HydrophobicContact CD1-CB 3.87Å; L613-I627 HydrophobicContact CD1-CD1 3.58Å; L613-I627 HydrophobicContact CD2-CD1 3.68Å; L613-I627 HydrophobicContact CG-CD1 4.28Å; L613-R643 PolarHBondContact O-NH2 3.04Å |
| 614 | S | 86.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -144.9 | 157.9 | -172.1 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | Y616 Q620 E799 | S614-Y616 PolarHBondContact O-N 3.47Å; S614-Y616 PolarHBondContact OG-N 3.46Å; S614-Y616 VanDerWaalsContact OG-N 3.11Å; S614-Q620 PolarHBondContact O-NE2 2.78Å; S614-E799 WeakPolarHBondContact CB-OE1 3.28Å; S614-E799 WeakPolarHBondContact CB-OE2 3.4Å; S614-E799 PolarHBondContact OG-OE1 3.13Å; S614-E799 PolarHBondContact OG-OE2 3.18Å | ||
| 615 | D | 84.1 | Confident | 85.2 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -70.7 | -20 | 170.8 | -74.5 | -40.7 | 0 | 0 | 0 | 113 | R660 P661 T662 T754 | D615-R660 WeakPolarHBondContact OD1-CB 3.44Å; D615-P661 VanDerWaalsContact OD2-CD 3.26Å; D615-P661 WeakPolarHBondContact OD2-CD 3.24Å; D615-T662 PolarHBondContact OD1-OG1 3.04Å; D615-T662 WeakPolarHBondContact OD2-CB 3.38Å; D615-T662 VanDerWaalsContact OD2-CG2 3.27Å; D615-T662 WeakPolarHBondContact OD2-CG2 3.26Å; D615-T662 PolarHBondContact OD2-N 3.28Å; D615-T662 PolarHBondContact OD2-OG1 2.97Å; D615-T754 WeakPolarHBondContact OD1-CB 3.39Å; D615-T754 PolarHBondContact OD1-OG1 2.91Å |
| 616 | Y | 81.4 | Confident | 85.2 | Confident | 14 Ų | 14 | 26.6 Ų | 26.6 | 6% | 0.055 | 13% | 0.131 | C | C | . | . | trans | -106.7 | 127.3 | -174.3 | -67.5 | -92.7 | 0 | 0 | 0 | 112.5 | S614 S618 N619 Q620 S792 Y796 D924 F947 | S614-Y616 PolarHBondContact O-N 3.47Å; S614-Y616 PolarHBondContact OG-N 3.46Å; S614-Y616 VanDerWaalsContact OG-N 3.11Å; Y616-S618 PolarHBondContact O-N 2.66Å; Y616-N619 PolarHBondContact O-N 2.89Å; Y616-Q620 WeakPolarHBondContact O-CG 3.46Å; Y616-Q620 PolarHBondContact O-N 2.77Å; Y616-S792 PolarHBondContact OH-O 3.22Å; Y616-S792 PolarHBondContact OH-OG 3.06Å; Y616-Y796 AromaticContact CD1-CD2 3.81Å; Y616-Y796 HydrophobicContact CD1-CD2 3.81Å; Y616-Y796 HydrophobicContact CD1-CE2 4.26Å; Y616-Y796 AromaticContact CD2-CD2 3.86Å; Y616-Y796 HydrophobicContact CD2-CD2 3.86Å; Y616-Y796 HydrophobicContact CE1-CD2 4.08Å; Y616-Y796 HydrophobicContact CE2-CD2 4.15Å; Y616-Y796 HydrophobicContact CE2-CG 4.46Å; Y616-Y796 AromaticContact CG-CD2 3.69Å; Y616-Y796 HydrophobicContact CG-CD2 3.69Å; Y616-Y796 HydrophobicContact CG-CE2 4.33Å; Y616-D924 HydrophobicContact CD1-CB 4.32Å; Y616-D924 HydrophobicContact CE1-CB 4.37Å; Y616-F947 HydrophobicContact CD1-CE2 4.3Å; Y616-F947 AromaticContact CD1-CZ 3.97Å; Y616-F947 HydrophobicContact CD1-CZ 3.97Å; Y616-F947 HydrophobicContact CE1-CE2 4.36Å; Y616-F947 HydrophobicContact CE1-CZ 4.29Å | ||
| 617 | E | 80.2 | Confident | 85.1 | Confident | 54 Ų | 54 | 26.3 Ų | 26.3 | 25% | 0.252 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -57.4 | -45.2 | 178.9 | -174.9 | -171.2 | -177.2 | 0 | 0 | 112.7 | N619 Q620 Q621 P750 R923 | E617-N619 VanDerWaalsContact C-N 3.27Å; E617-N619 PolarHBondContact O-N 3.02Å; E617-Q620 PolarHBondContact O-N 3.36Å; E617-Q621 PolarHBondContact O-N 3.34Å; E617-Q621 VanDerWaalsContact O-N 3.08Å; E617-P750 WeakPolarHBondContact OE2-CB 3.39Å; E617-R923 IonicContact OE2-NH1 3.55Å; E617-R923 PolarHBondContact OE2-NH1 3.47Å |
| 618 | S | 80.3 | Confident | 84.7 | Confident | 18 Ų | 18 | 28.2 Ų | 28.2 | 13% | 0.126 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.8 | -36.4 | -179.9 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | Y616 L622 R800 D924 | Y616-S618 PolarHBondContact O-N 2.66Å; S618-L622 WeakPolarHBondContact O-CG 3.36Å; S618-R800 VanDerWaalsContact CB-NH2 3.27Å; S618-R800 PolarHBondContact OG-NH2 2.95Å; S618-D924 PolarHBondContact OG-OD2 3.21Å |
| 619 | N | 85.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71 | -55 | 171.3 | -69.4 | 4.7 | 0 | 0 | 0 | 110 | Y616 E617 Q621 L622 L623 Y796 E799 R800 | Y616-N619 PolarHBondContact O-N 2.89Å; E617-N619 VanDerWaalsContact C-N 3.27Å; E617-N619 PolarHBondContact O-N 3.02Å; N619-Q621 PolarHBondContact O-N 3.41Å; N619-L622 CarbonylContact O-C 3.58Å; N619-L622 PolarHBondContact O-N 3.34Å; N619-L623 HydrophobicContact CB-CG 4.44Å; N619-L623 VanDerWaalsContact O-CG 3.25Å; N619-L623 WeakPolarHBondContact O-CG 3.38Å; N619-L623 PolarHBondContact O-N 2.95Å; N619-Y796 WeakPolarHBondContact OD1-CE2 3.45Å; N619-E799 WeakPolarHBondContact ND2-CB 2.96Å; N619-E799 PolarHBondContact ND2-OE2 3.49Å; N619-R800 PolarHBondContact OD1-NE 3.01Å; N619-R800 PolarHBondContact OD1-NH2 3.21Å |
| 620 | Q | 84.9 | Confident | 83.7 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -44.2 | -46.2 | -179.3 | -72.1 | 168.5 | 28.1 | 0 | 0 | 112.9 | S614 Y616 E617 S624 G752 | S614-Q620 PolarHBondContact O-NE2 2.78Å; Y616-Q620 WeakPolarHBondContact O-CG 3.46Å; Y616-Q620 PolarHBondContact O-N 2.77Å; E617-Q620 PolarHBondContact O-N 3.36Å; Q620-S624 WeakPolarHBondContact O-CB 3.48Å; Q620-S624 PolarHBondContact O-N 3.15Å; Q620-G752 PolarHBondContact NE2-O 2.96Å |
| 621 | Q | 81.9 | Confident | 83.2 | Confident | 87 Ų | 87 | 42.4 Ų | 42.4 | 41% | 0.407 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.9 | -51.8 | 177.2 | -66.7 | -168.2 | 34.7 | 0 | 0 | 112.4 | E617 N619 S624 R625 | E617-Q621 PolarHBondContact O-N 3.34Å; E617-Q621 VanDerWaalsContact O-N 3.08Å; N619-Q621 PolarHBondContact O-N 3.41Å; Q621-S624 PolarHBondContact O-N 3.12Å; Q621-S624 PolarHBondContact O-OG 3.34Å; Q621-R625 PolarHBondContact O-N 2.84Å |
| 622 | L | 85.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 178.3 | -69.8 | 168.9 | 0 | 0 | 0 | 112.1 | S618 N619 S624 R625 Y626 R800 I803 H879 E880 | S618-L622 WeakPolarHBondContact O-CG 3.36Å; N619-L622 CarbonylContact O-C 3.58Å; N619-L622 PolarHBondContact O-N 3.34Å; L622-S624 VanDerWaalsContact C-N 3.29Å; L622-S624 PolarHBondContact O-N 2.82Å; L622-R625 WeakPolarHBondContact O-CB 3.42Å; L622-R625 PolarHBondContact O-N 3.15Å; L622-Y626 WeakPolarHBondContact O-CD2 3.23Å; L622-Y626 PolarHBondContact O-N 2.89Å; L622-R800 VanDerWaalsContact CD1-NH1 3.27Å; L622-I803 HydrophobicContact CB-CD1 3.8Å; L622-I803 HydrophobicContact CB-CG1 4.26Å; L622-I803 HydrophobicContact CB-CG2 4.44Å; L622-I803 HydrophobicContact CD1-CD1 4.01Å; L622-I803 HydrophobicContact CD1-CG2 4.4Å; L622-H879 HydrophobicContact CD1-CB 3.93Å; L622-H879 HydrophobicContact CD2-CB 4.1Å; L622-H879 WeakPolarHBondContact CD2-O 3.48Å; L622-E880 HydrophobicContact CD1-CG 4.1Å; L622-E880 HydrophobicContact CD2-CG 3.82Å; L622-E880 HydrophobicContact CG-CG 4.05Å |
| 623 | L | 86 | Confident | 82.2 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58 | -43.6 | 177.4 | -60.1 | -164.4 | 0 | 0 | 0 | 110.5 | L613 N619 R625 Y626 I627 W638 W802 I803 | L613-L623 HydrophobicContact CB-CD1 4.12Å; L613-L623 HydrophobicContact CD1-CB 3.87Å; N619-L623 HydrophobicContact CB-CG 4.44Å; N619-L623 VanDerWaalsContact O-CG 3.25Å; N619-L623 WeakPolarHBondContact O-CG 3.38Å; N619-L623 PolarHBondContact O-N 2.95Å; L623-R625 VanDerWaalsContact C-N 3.28Å; L623-R625 PolarHBondContact O-N 3.31Å; L623-Y626 PolarHBondContact O-N 3Å; L623-I627 HydrophobicContact CB-CD1 3.98Å; L623-I627 WeakPolarHBondContact O-CB 3.42Å; L623-I627 WeakPolarHBondContact O-CD1 3.36Å; L623-I627 WeakPolarHBondContact O-CG1 3.46Å; L623-I627 PolarHBondContact O-N 3.05Å; L623-W638 HydrophobicContact CB-CH2 4.18Å; L623-W638 HydrophobicContact CD1-CH2 3.45Å; L623-W638 VanDerWaalsContact CD1-CH2 3.45Å; L623-W638 HydrophobicContact CD1-CZ2 4.02Å; L623-W638 HydrophobicContact CD1-CZ3 3.8Å; L623-W638 HydrophobicContact CD2-CH2 3.45Å; L623-W638 VanDerWaalsContact CD2-CH2 3.45Å; L623-W638 HydrophobicContact CD2-CZ3 3.37Å; L623-W638 HydrophobicContact CG-CH2 3.81Å; L623-W638 HydrophobicContact CG-CZ3 4.12Å; L623-W802 HydrophobicContact CD2-CE3 4.37Å; L623-W802 HydrophobicContact CD2-CZ3 4.49Å; L623-I803 HydrophobicContact CD2-CD1 3.57Å; L623-I803 HydrophobicContact CD2-CG1 3.41Å; L623-I803 VanDerWaalsContact CD2-CG1 3.41Å |
| 624 | S | 85.3 | Confident | 81.8 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -33.1 | 176.6 | 81 | 0 | 0 | 0 | 0 | 113.6 | Q620 Q621 L622 K628 | Q620-S624 WeakPolarHBondContact O-CB 3.48Å; Q620-S624 PolarHBondContact O-N 3.15Å; Q621-S624 PolarHBondContact O-N 3.12Å; Q621-S624 PolarHBondContact O-OG 3.34Å; L622-S624 VanDerWaalsContact C-N 3.29Å; L622-S624 PolarHBondContact O-N 2.82Å; S624-K628 WeakPolarHBondContact O-CB 3.17Å; S624-K628 VanDerWaalsContact O-CG 3.24Å; S624-K628 WeakPolarHBondContact O-CG 3.33Å; S624-K628 PolarHBondContact O-N 2.86Å |
| 625 | R | 84.3 | Confident | 81.2 | Confident | 124 Ų | 124 | 51.8 Ų | 51.8 | 47% | 0.468 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66 | -48.3 | 177.6 | -63.5 | 178.8 | -170.9 | -177.7 | 3.2 | 111.3 | Q621 L622 L623 | Q621-R625 PolarHBondContact O-N 2.84Å; L622-R625 WeakPolarHBondContact O-CB 3.42Å; L622-R625 PolarHBondContact O-N 3.15Å; L623-R625 VanDerWaalsContact C-N 3.28Å; L623-R625 PolarHBondContact O-N 3.31Å |
| 626 | Y | 81.4 | Confident | 80.6 | Confident | 49 Ų | 49 | 52 Ų | 52 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -77.4 | -36.9 | -178.1 | -64.9 | -71.5 | 0 | 0 | 0 | 112.9 | L622 L623 K628 N629 W802 I803 K806 H807 | L622-Y626 WeakPolarHBondContact O-CD2 3.23Å; L622-Y626 PolarHBondContact O-N 2.89Å; L623-Y626 PolarHBondContact O-N 3Å; Y626-K628 VanDerWaalsContact C-N 3.27Å; Y626-K628 PolarHBondContact O-N 3.26Å; Y626-N629 PolarHBondContact O-N 3.12Å; Y626-N629 VanDerWaalsContact O-N 3.17Å; Y626-W802 HydrophobicContact CG-CZ3 4.44Å; Y626-I803 HydrophobicContact CD2-CG2 4.43Å; Y626-I803 HydrophobicContact CE2-CG2 3.85Å; Y626-K806 HydrophobicContact CD1-CB 3.48Å; Y626-K806 VanDerWaalsContact CD1-CB 3.48Å; Y626-K806 HydrophobicContact CD1-CG 4.44Å; Y626-K806 HydrophobicContact CE1-CB 3.83Å; Y626-K806 VanDerWaalsContact CE1-O 3.31Å; Y626-K806 WeakPolarHBondContact CE1-O 3.29Å; Y626-K806 HydrophobicContact CG-CB 3.92Å; Y626-H807 WeakPolarHBondContact OH-CB 3.38Å; Y626-H807 PolarHBondContact OH-CD2 2.71Å |
| 627 | I | 83.2 | Confident | 80 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.9 | -27.7 | 179.4 | -68 | 168 | 0 | 0 | 0 | 111.8 | I586 F610 L613 L623 N629 I630 W638 W802 | I586-I627 HydrophobicContact CD1-CG2 3.51Å; I586-I627 HydrophobicContact CG1-CG2 4.09Å; F610-I627 HydrophobicContact CE1-CG2 4.18Å; L613-I627 HydrophobicContact CD1-CD1 3.58Å; L613-I627 HydrophobicContact CD2-CD1 3.68Å; L613-I627 HydrophobicContact CG-CD1 4.28Å; L623-I627 HydrophobicContact CB-CD1 3.98Å; L623-I627 WeakPolarHBondContact O-CB 3.42Å; L623-I627 WeakPolarHBondContact O-CD1 3.36Å; L623-I627 WeakPolarHBondContact O-CG1 3.46Å; L623-I627 PolarHBondContact O-N 3.05Å; I627-N629 PolarHBondContact O-N 2.89Å; I627-N629 VanDerWaalsContact O-N 3.09Å; I627-I630 HydrophobicContact CB-CD1 4.16Å; I627-I630 HydrophobicContact CG1-CD1 3.84Å; I627-I630 HydrophobicContact CG2-CD1 4.25Å; I627-I630 WeakPolarHBondContact O-CB 3.46Å; I627-I630 PolarHBondContact O-N 3.47Å; I627-W638 HydrophobicContact CD1-CH2 4.02Å; I627-W638 HydrophobicContact CD1-CZ2 3.91Å; I627-W802 HydrophobicContact CG1-CH2 4.04Å |
| 628 | K | 81.9 | Confident | 79.3 | Confident | 88 Ų | 88 | 51.9 Ų | 51.9 | 38% | 0.383 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.4 | 173.2 | -84.6 | -179.7 | 179.9 | -156.7 | 0 | 114 | V581 D583 F610 S624 Y626 | V581-K628 HydrophobicContact CG1-CG 4.29Å; D583-K628 PolarHBondContact O-NZ 3.41Å; F610-K628 HydrophobicContact CE2-CD 4.47Å; F610-K628 HydrophobicContact CE2-CG 4.34Å; F610-K628 HydrophobicContact CZ-CD 4.47Å; F610-K628 HydrophobicContact CZ-CG 3.85Å; S624-K628 WeakPolarHBondContact O-CB 3.17Å; S624-K628 VanDerWaalsContact O-CG 3.24Å; S624-K628 WeakPolarHBondContact O-CG 3.33Å; S624-K628 PolarHBondContact O-N 2.86Å; Y626-K628 VanDerWaalsContact C-N 3.27Å; Y626-K628 PolarHBondContact O-N 3.26Å |
| 629 | N | 77.7 | Confident | 78.3 | Confident | 140 Ų | 140 | 53.2 Ų | 53.2 | 75% | 0.749 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 5.5 | 178.5 | -62.5 | -13 | 0 | 0 | 0 | 113.6 | Y626 I627 | Y626-N629 PolarHBondContact O-N 3.12Å; Y626-N629 VanDerWaalsContact O-N 3.17Å; I627-N629 PolarHBondContact O-N 2.89Å; I627-N629 VanDerWaalsContact O-N 3.09Å |
| 630 | I | 80.1 | Confident | 77 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 133.3 | -178.7 | -72.7 | -178.9 | 0 | 0 | 0 | 111.2 | V578 I627 S634 W802 | V578-I630 HydrophobicContact CG2-CG2 4.03Å; I627-I630 HydrophobicContact CB-CD1 4.16Å; I627-I630 HydrophobicContact CG1-CD1 3.84Å; I627-I630 HydrophobicContact CG2-CD1 4.25Å; I627-I630 WeakPolarHBondContact O-CB 3.46Å; I627-I630 PolarHBondContact O-N 3.47Å; I630-S634 WeakPolarHBondContact CG2-OG 3.14Å; I630-W802 HydrophobicContact CD1-CH2 4.25Å; I630-W802 HydrophobicContact CD1-CZ2 4.22Å |
| 631 | K | 77.3 | Confident | 75.8 | Confident | 168 Ų | 168 | 63.5 Ų | 63.5 | 73% | 0.73 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -72 | 138.3 | 179.8 | -65.1 | -177.8 | 179.7 | 179.4 | 0 | 111.5 | S634 | K631-S634 WeakPolarHBondContact O-CB 3.18Å; K631-S634 PolarHBondContact O-N 2.82Å; K631-S634 PolarHBondContact O-OG 3.32Å |
| 632 | P | 78 | Confident | 74.7 | Confident | 94 Ų | 94 | 61.6 Ų | 61.6 | 61% | 0.61 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 144.8 | 165.5 | -28.8 | 36.9 | 0 | 0 | 0 | 112.7 | V578 | V578-P632 CarbonylContact O-C 3.39Å; V578-P632 WeakPolarHBondContact O-CA 3.44Å |
| 633 | G | 73.8 | Confident | 74.1 | Confident | 59 Ų | 59 | 63.3 Ų | 63.3 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -11.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V578 | V578-G633 PolarHBondContact O-N 3.36Š|
| 634 | S | 78 | Confident | 73.9 | Confident | 39 Ų | 39 | 65 Ų | 65 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | trans | -82.4 | 157.4 | -179.6 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | T577 V578 I630 K631 | T577-S634 CarbonylContact C-O 3.5Å; T577-S634 VanDerWaalsContact CA-O 3.23Å; T577-S634 WeakPolarHBondContact CA-O 3.3Å; T577-S634 WeakPolarHBondContact CB-O 3.21Å; V578-S634 PolarHBondContact N-O 3.41Å; I630-S634 WeakPolarHBondContact CG2-OG 3.14Å; K631-S634 WeakPolarHBondContact O-CB 3.18Å; K631-S634 PolarHBondContact O-N 2.82Å; K631-S634 PolarHBondContact O-OG 3.32Å | ||
| 635 | T | 73.6 | Confident | 74 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -86.4 | 149.7 | 177.7 | 37.5 | 0 | 0 | 0 | 0 | 112.4 | T577 D637 | T577-T635 HydrophobicContact CG2-CG2 3.87Å; T635-D637 VanDerWaalsContact C-N 3.35Å; T635-D637 VanDerWaalsContact CB-OD1 3.23Å; T635-D637 WeakPolarHBondContact CB-OD1 3.18Å; T635-D637 WeakPolarHBondContact CB-OD2 3.5Å; T635-D637 PolarHBondContact O-N 3.14Å; T635-D637 VanDerWaalsContact O-N 3.11Å; T635-D637 VanDerWaalsContact OG1-CG 3.31Å; T635-D637 PolarHBondContact OG1-OD1 3.11Å; T635-D637 PolarHBondContact OG1-OD2 3.09Å |
| 636 | L | 72.5 | Confident | 74.3 | Confident | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | trans | -86 | 72.6 | -179.7 | -108.9 | 167.7 | 0 | 0 | 0 | 111.3 | I586 L588 L608 W638 R643 | I586-L636 HydrophobicContact CD1-CD1 4.27Å; L588-L636 HydrophobicContact CD1-CD1 3.65Å; L588-L636 HydrophobicContact CD2-CD1 3.72Å; L588-L636 HydrophobicContact CG-CD1 4.37Å; L608-L636 HydrophobicContact CD2-CD1 3.76Å; L636-W638 HydrophobicContact CD2-CZ2 4.38Å; L636-R643 WeakPolarHBondContact O-CB 3.39Å; L636-R643 PolarHBondContact O-N 3.28Å; L636-R643 VanDerWaalsContact O-N 3.16Å | ||
| 637 | D | 69.6 | Low | 74.7 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 137.3 | -167.3 | -56.9 | -26.4 | 0 | 0 | 0 | 113.8 | T635 S641 A642 W802 | T635-D637 VanDerWaalsContact C-N 3.35Å; T635-D637 VanDerWaalsContact CB-OD1 3.23Å; T635-D637 WeakPolarHBondContact CB-OD1 3.18Å; T635-D637 WeakPolarHBondContact CB-OD2 3.5Å; T635-D637 PolarHBondContact O-N 3.14Å; T635-D637 VanDerWaalsContact O-N 3.11Å; T635-D637 VanDerWaalsContact OG1-CG 3.31Å; T635-D637 PolarHBondContact OG1-OD1 3.11Å; T635-D637 PolarHBondContact OG1-OD2 3.09Å; D637-S641 WeakPolarHBondContact CA-O 3.34Å; D637-A642 WeakPolarHBondContact OD1-CA 3.41Å; D637-W802 PolarHBondContact O-NE1 2.86Å |
| 638 | W | 64.4 | Low | 75.1 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 6% | 0.057 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 129.9 | 175.1 | -52.1 | 73.9 | 0 | 0 | 0 | 106.8 | L623 I627 L636 H640 S641 T798 E799 W802 | L623-W638 HydrophobicContact CB-CH2 4.18Å; L623-W638 HydrophobicContact CD1-CH2 3.45Å; L623-W638 VanDerWaalsContact CD1-CH2 3.45Å; L623-W638 HydrophobicContact CD1-CZ2 4.02Å; L623-W638 HydrophobicContact CD1-CZ3 3.8Å; L623-W638 HydrophobicContact CD2-CH2 3.45Å; L623-W638 VanDerWaalsContact CD2-CH2 3.45Å; L623-W638 HydrophobicContact CD2-CZ3 3.37Å; L623-W638 HydrophobicContact CG-CH2 3.81Å; L623-W638 HydrophobicContact CG-CZ3 4.12Å; I627-W638 HydrophobicContact CD1-CH2 4.02Å; I627-W638 HydrophobicContact CD1-CZ2 3.91Å; L636-W638 HydrophobicContact CD2-CZ2 4.38Å; W638-H640 VanDerWaalsContact C-N 3.34Å; W638-H640 PolarHBondContact O-N 3.46Å; W638-S641 PolarHBondContact N-O 3.15Å; W638-S641 PolarHBondContact O-N 2.91Å; W638-S641 VanDerWaalsContact O-N 3.16Å; W638-T798 HydrophobicContact CB-CG2 4.49Å; W638-E799 HydrophobicContact CE3-CB 4.49Å; W638-E799 HydrophobicContact CE3-CG 4.12Å; W638-W802 HydrophobicContact CD2-CG 4.44Å; W638-W802 HydrophobicContact CE3-CB 3.76Å; W638-W802 AromaticContact CE3-CD2 3.79Å; W638-W802 HydrophobicContact CE3-CD2 3.79Å; W638-W802 HydrophobicContact CE3-CE3 4.22Å; W638-W802 AromaticContact CE3-CG 3.59Å; W638-W802 HydrophobicContact CE3-CG 3.59Å; W638-W802 AromaticContact CH2-CD2 3.92Å; W638-W802 HydrophobicContact CH2-CD2 3.92Å; W638-W802 AromaticContact CH2-CE3 3.74Å; W638-W802 HydrophobicContact CH2-CE3 3.74Å; W638-W802 HydrophobicContact CH2-CH2 4.1Å; W638-W802 HydrophobicContact CH2-CZ2 4.26Å; W638-W802 AromaticContact CH2-CZ3 3.83Å; W638-W802 HydrophobicContact CH2-CZ3 3.83Å; W638-W802 HydrophobicContact CZ3-CB 3.98Å; W638-W802 AromaticContact CZ3-CD2 3.37Å; W638-W802 HydrophobicContact CZ3-CD2 3.37Å; W638-W802 AromaticContact CZ3-CE2 3.99Å; W638-W802 AromaticContact CZ3-CE3 3.35Å; W638-W802 HydrophobicContact CZ3-CE3 3.35Å; W638-W802 AromaticContact CZ3-CG 3.68Å; W638-W802 HydrophobicContact CZ3-CG 3.68Å; W638-W802 AromaticContact CZ3-CZ3 3.96Å; W638-W802 HydrophobicContact CZ3-CZ3 3.96Å |
| 639 | N | 58.9 | Low | 75.3 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 42.4 | 58.9 | -167.6 | -67 | 27.1 | 0 | 0 | 0 | 112.4 | S641 T798 E801 | N639-S641 PolarHBondContact O-N 3.13Å; N639-S641 PolarHBondContact O-OG 3.04Å; N639-T798 HydrophobicContact CB-CG2 4.32Å; N639-T798 PolarHBondContact OD1-O 3.19Å; N639-E801 PolarHBondContact ND2-OE2 2.91Å |
| 640 | H | 57.9 | Low | 75.5 | Confident | 156 Ų | 156 | 50.5 Ų | 50.5 | 72% | 0.722 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 15.8 | 177.4 | -62.9 | -78.7 | 0 | 0 | 0 | 116.2 | W638 E973 | W638-H640 VanDerWaalsContact C-N 3.34Å; W638-H640 PolarHBondContact O-N 3.46Å; H640-E973 IonicContact CD2-OE1 3.89Å |
| 641 | S | 59.8 | Low | 75.2 | Confident | 76 Ų | 76 | 49.8 Ų | 49.8 | 53% | 0.531 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130.5 | -173.4 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | D637 W638 N639 R643 | D637-S641 WeakPolarHBondContact CA-O 3.34Å; W638-S641 PolarHBondContact N-O 3.15Å; W638-S641 PolarHBondContact O-N 2.91Å; W638-S641 VanDerWaalsContact O-N 3.16Å; N639-S641 PolarHBondContact O-N 3.13Å; N639-S641 PolarHBondContact O-OG 3.04Å; S641-R643 PolarHBondContact O-N 3.33Å; S641-R643 VanDerWaalsContact O-N 3.13Å |
| 642 | A | 60.2 | Low | 74.9 | Confident | 48 Ų | 48 | 49.3 Ų | 49.3 | 40% | 0.397 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 110.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D637 N644 | D637-A642 WeakPolarHBondContact OD1-CA 3.41Å; A642-N644 PolarHBondContact O-N 3.21Å |
| 643 | R | 71.8 | Confident | 74.4 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 123 | -179.1 | -170.6 | 165.3 | 179 | 160.1 | -2.7 | 109.6 | L613 L636 S641 A659 P661 E799 | L613-R643 PolarHBondContact O-NH2 3.04Å; L636-R643 WeakPolarHBondContact O-CB 3.39Å; L636-R643 PolarHBondContact O-N 3.28Å; L636-R643 VanDerWaalsContact O-N 3.16Å; S641-R643 PolarHBondContact O-N 3.33Å; S641-R643 VanDerWaalsContact O-N 3.13Å; R643-A659 VanDerWaalsContact CZ-O 3.26Å; R643-A659 PolarHBondContact NE-O 3.28Å; R643-A659 PolarHBondContact NH2-O 3.09Å; R643-P661 VanDerWaalsContact NH2-CD 3.31Å; R643-E799 IonicContact CZ-OE1 2.78Å; R643-E799 VanDerWaalsContact CZ-OE1 3.27Å; R643-E799 IonicContact NH1-OE1 3.76Å; R643-E799 PolarHBondContact NH1-OE1 2.87Å; R643-E799 IonicContact NH2-OE1 3.22Å; R643-E799 PolarHBondContact NH2-OE1 3.41Å |
| 644 | N | 83.1 | Confident | 74.5 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 19% | 0.187 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 136 | 172.3 | -53.3 | -83.4 | 0 | 0 | 0 | 108.8 | L573 F574 K593 A642 V664 | L573-N644 HydrophobicContact CD2-CB 4.16Å; F574-N644 CarbonylContact O-C 3.26Å; F574-N644 VanDerWaalsContact O-CA 3.32Å; F574-N644 WeakPolarHBondContact O-CA 3.23Å; K593-N644 WeakPolarHBondContact CD-OD1 3.32Å; K593-N644 WeakPolarHBondContact CE-OD1 3.26Å; K593-N644 PolarHBondContact NZ-ND2 3.08Å; A642-N644 PolarHBondContact O-N 3.21Å; N644-V664 HydrophobicContact CB-CG1 4.09Å; N644-V664 WeakPolarHBondContact O-CG2 3.33Å |
| 645 | V | 87.4 | Confident | 74.8 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 143.3 | 167.4 | -65.9 | 0 | 0 | 0 | 0 | 109.3 | L573 F574 A576 L588 L590 L608 L657 S658 A659 | L573-V645 WeakPolarHBondContact CA-O 3.23Å; F574-V645 HydrophobicContact CB-CG2 4.16Å; F574-V645 PolarHBondContact N-O 3.34Å; F574-V645 PolarHBondContact O-N 2.99Å; A576-V645 HydrophobicContact CB-CG1 4.25Å; A576-V645 HydrophobicContact CB-CG2 3.9Å; L588-V645 HydrophobicContact CD1-CG1 4.18Å; L590-V645 HydrophobicContact CD2-CG2 3.85Å; L608-V645 HydrophobicContact CD2-CG1 4.4Å; V645-L657 HydrophobicContact CB-CB 4.45Å; V645-L657 HydrophobicContact CG2-CD1 4.25Å; V645-L657 HydrophobicContact CG2-CD2 4.16Å; V645-S658 WeakPolarHBondContact CA-O 3.09Å; V645-A659 HydrophobicContact CG1-CB 4.41Å |
| 646 | V | 90.5 | Very high | 75.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 138.8 | 174.5 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | Q572 L573 I648 L657 S658 L663 V664 A667 F692 | Q572-V646 WeakPolarHBondContact O-CA 3.48Å; L573-V646 HydrophobicContact CD2-CB 3.82Å; L573-V646 HydrophobicContact CD2-CG2 4.25Å; V646-I648 HydrophobicContact CG1-CG2 4.05Å; V646-I648 PolarHBondContact O-N 3.2Å; V646-L657 CarbonylContact O-C 3.54Å; V646-L657 WeakPolarHBondContact O-CA 3.47Å; V646-S658 PolarHBondContact N-O 2.96Å; V646-S658 PolarHBondContact O-N 3.17Å; V646-L663 HydrophobicContact CG1-CB 4.09Å; V646-V664 HydrophobicContact CB-CG2 4.33Å; V646-V664 HydrophobicContact CG1-CG2 4.02Å; V646-A667 HydrophobicContact CB-CB 4.45Å; V646-A667 HydrophobicContact CG2-CB 3.59Å; V646-F692 HydrophobicContact CG1-CE2 4.07Å; V646-F692 HydrophobicContact CG2-CD2 4.5Å; V646-F692 HydrophobicContact CG2-CE2 3.66Å; V646-F692 HydrophobicContact CG2-CZ 3.69Å |
| 647 | V | 89.8 | Confident | 76.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 114.8 | 170.6 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | V568 Q569 I570 G571 Q572 F574 V655 L657 | V568-V647 HydrophobicContact CG1-CG1 4.29Å; V568-V647 HydrophobicContact CG1-CG2 3.7Å; Q569-V647 WeakPolarHBondContact O-CB 3.47Å; I570-V647 HydrophobicContact CG1-CG1 4.38Å; G571-V647 PolarHBondContact N-O 3.01Å; Q572-V647 PolarHBondContact O-N 3.3Å; F574-V647 HydrophobicContact CD2-CG2 4Å; F574-V647 HydrophobicContact CE2-CG2 3.69Å; V647-V655 HydrophobicContact CB-CG1 4.32Å; V647-V655 HydrophobicContact CG1-CG1 3.73Å; V647-V655 HydrophobicContact CG2-CG1 3.76Å; V647-L657 HydrophobicContact CG2-CD2 4.02Å |
| 648 | I | 90.1 | Very high | 77.4 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -26.1 | 177.8 | 59.2 | 166.4 | 0 | 0 | 0 | 113.1 | Q612 V646 I656 L663 F692 W708 P722 A723 | Q612-I648 HydrophobicContact CG-CD1 4.2Å; V646-I648 HydrophobicContact CG1-CG2 4.05Å; V646-I648 PolarHBondContact O-N 3.2Å; I648-I656 HydrophobicContact CD1-CG2 3.9Å; I648-I656 HydrophobicContact CG1-CB 4.23Å; I648-I656 HydrophobicContact CG1-CG2 3.89Å; I648-I656 WeakPolarHBondContact CG1-O 3.35Å; I648-I656 PolarHBondContact N-O 3.47Å; I648-L663 HydrophobicContact CG2-CD1 4.07Å; I648-F692 HydrophobicContact CG2-CE2 4.38Å; I648-F692 HydrophobicContact CG2-CZ 4.29Å; I648-W708 HydrophobicContact CB-CH2 4.21Å; I648-W708 HydrophobicContact CD1-CH2 3.72Å; I648-W708 HydrophobicContact CD1-CZ2 3.97Å; I648-W708 HydrophobicContact CD1-CZ3 4.48Å; I648-P722 HydrophobicContact CB-CB 4.4Å; I648-P722 CarbonylContact O-C 3.5Å; I648-P722 WeakPolarHBondContact O-CA 3.41Å; I648-A723 PolarHBondContact O-N 3.33Å |
| 649 | D | 86.9 | Confident | 78.6 | Confident | 45 Ų | 45 | 46.4 Ų | 46.4 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 156.6 | 176.7 | -170.5 | 18.3 | 0 | 0 | 0 | 110.8 | I656 | D649-I656 HydrophobicContact CB-CB 4.09Å; D649-I656 HydrophobicContact CB-CD1 4.21Å; D649-I656 HydrophobicContact CB-CG1 4.38Å; D649-I656 PolarHBondContact N-O 2.92Å; D649-I656 PolarHBondContact O-N 3.38Å |
| 650 | K | 81.7 | Confident | 80 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 30% | 0.304 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 101.2 | -173.6 | -174.7 | 179 | -178 | 177 | 0 | 111 | L565 V568 I570 | L565-K650 WeakPolarHBondContact O-CE 3.45Å; L565-K650 PolarHBondContact O-NZ 3.15Å; V568-K650 WeakPolarHBondContact O-CD 3.44Å; V568-K650 WeakPolarHBondContact O-CE 3.48Å; V568-K650 PolarHBondContact O-NZ 3.14Å; I570-K650 HydrophobicContact CD1-CB 4.48Å; I570-K650 HydrophobicContact CG1-CB 4.28Å |
| 651 | G | 73.9 | Confident | 81.3 | Confident | 25 Ų | 25 | 37.3 Ų | 37.3 | 26% | 0.258 | 20% | 0.201 | S | C | . | . | trans | -74 | -172.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E506 T654 | E506-G651 WeakPolarHBondContact OE1-CA 3.31Å; G651-T654 WeakPolarHBondContact CA-O 3.39Å; G651-T654 PolarHBondContact N-O 2.81Å | ||
| 652 | K | 70.2 | Confident | 82.6 | Confident | 157 Ų | 157 | 34.6 Ų | 34.6 | 68% | 0.683 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -81.5 | -26.2 | 173.8 | -69.6 | 179.6 | -175.5 | 175.2 | 0 | 112.2 | D505 E506 | D505-K652 HydrophobicContact CB-CD 4.31Å; D505-K652 IonicContact OD2-NZ 3.39Å; D505-K652 PolarHBondContact OD2-NZ 2.98Å; E506-K652 PolarHBondContact OE1-N 2.8Å |
| 653 | Q | 67.5 | Low | 83.9 | Confident | 162 Ų | 162 | 32.4 Ų | 32.4 | 76% | 0.757 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -133.5 | -6.8 | -179.3 | -64.5 | -169.7 | -36.7 | 0 | 0 | 113.8 | E506 | E506-Q653 PolarHBondContact OE1-N 2.95Å; E506-Q653 VanDerWaalsContact OE1-N 3.1Å |
| 654 | T | 77.1 | Confident | 84.6 | Confident | 54 Ų | 54 | 31.6 Ų | 31.6 | 33% | 0.331 | 16% | 0.163 | S | C | . | . | trans | -124.8 | 154.9 | 174.4 | 69.9 | 0 | 0 | 0 | 0 | 112.1 | E506 G651 | E506-T654 WeakPolarHBondContact OE2-CB 3.42Å; E506-T654 VanDerWaalsContact OE2-CG2 3.26Å; E506-T654 WeakPolarHBondContact OE2-CG2 3.48Å; E506-T654 PolarHBondContact OE2-OG1 3.43Å; G651-T654 WeakPolarHBondContact CA-O 3.39Å; G651-T654 PolarHBondContact N-O 2.81Å | ||
| 655 | V | 85 | Confident | 84.7 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.5 | 167.1 | 176.7 | 0 | 0 | 0 | 0 | 106.4 | L565 V568 G606 F607 V647 L657 | L565-V655 HydrophobicContact CD2-CG2 3.45Å; L565-V655 VanDerWaalsContact CD2-CG2 3.45Å; V568-V655 HydrophobicContact CG1-CG1 4.15Å; V568-V655 HydrophobicContact CG1-CG2 4.33Å; G606-V655 CarbonylContact C-O 3.53Å; G606-V655 WeakPolarHBondContact CA-O 3.41Å; F607-V655 PolarHBondContact N-O 3.4Å; V647-V655 HydrophobicContact CB-CG1 4.32Å; V647-V655 HydrophobicContact CG1-CG1 3.73Å; V647-V655 HydrophobicContact CG2-CG1 3.76Å; V655-L657 HydrophobicContact CG1-CD2 3.98Å |
| 656 | I | 88.8 | Confident | 84.5 | Confident | 54 Ų | 54 | 32.6 Ų | 32.6 | 28% | 0.277 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 127.4 | 179.6 | -51.5 | -178.6 | 0 | 0 | 0 | 108.4 | I648 D649 | I648-I656 HydrophobicContact CD1-CG2 3.9Å; I648-I656 HydrophobicContact CG1-CB 4.23Å; I648-I656 HydrophobicContact CG1-CG2 3.89Å; I648-I656 WeakPolarHBondContact CG1-O 3.35Å; I648-I656 PolarHBondContact N-O 3.47Å; D649-I656 HydrophobicContact CB-CB 4.09Å; D649-I656 HydrophobicContact CB-CD1 4.21Å; D649-I656 HydrophobicContact CB-CG1 4.38Å; D649-I656 PolarHBondContact N-O 2.92Å; D649-I656 PolarHBondContact O-N 3.38Å |
| 657 | L | 90.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 153 | -173.2 | -59.2 | 171.2 | 0 | 0 | 0 | 110.8 | L588 L590 F607 L608 V645 V646 V647 V655 | L588-L657 HydrophobicContact CB-CD1 4.09Å; L588-L657 HydrophobicContact CD1-CD1 3.9Å; L588-L657 HydrophobicContact CG-CD1 4.39Å; L590-L657 HydrophobicContact CD1-CD2 4.3Å; L590-L657 HydrophobicContact CD2-CD1 3.84Å; L590-L657 HydrophobicContact CD2-CD2 4.12Å; F607-L657 PolarHBondContact O-N 3.17Å; L608-L657 HydrophobicContact CB-CB 4.22Å; L608-L657 HydrophobicContact CD1-CB 4.34Å; L608-L657 VanDerWaalsContact CD1-O 3.3Å; L608-L657 WeakPolarHBondContact CD1-O 3.33Å; V645-L657 HydrophobicContact CB-CB 4.45Å; V645-L657 HydrophobicContact CG2-CD1 4.25Å; V645-L657 HydrophobicContact CG2-CD2 4.16Å; V646-L657 CarbonylContact O-C 3.54Å; V646-L657 WeakPolarHBondContact O-CA 3.47Å; V647-L657 HydrophobicContact CG2-CD2 4.02Å; V655-L657 HydrophobicContact CG1-CD2 3.98Å |
| 658 | S | 89.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.4 | 164.2 | -168 | 0 | 0 | 0 | 0 | 111.9 | Q612 V645 V646 R660 | Q612-S658 PolarHBondContact O-OG 3.25Å; Q612-S658 PolarHBondContact OE1-OG 3.11Å; V645-S658 WeakPolarHBondContact CA-O 3.09Å; V646-S658 PolarHBondContact N-O 2.96Å; V646-S658 PolarHBondContact O-N 3.17Å; S658-R660 WeakPolarHBondContact OG-CB 3.22Å; S658-R660 WeakPolarHBondContact OG-CG 3.25Å; S658-R660 PolarHBondContact OG-N 3.16Å |
| 659 | A | 89.1 | Confident | 82.9 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | trans | -111.4 | 6.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L608 Q612 R643 V645 | L608-A659 HydrophobicContact CD1-CB 4.2Å; L608-A659 HydrophobicContact CD2-CB 3.98Å; Q612-A659 PolarHBondContact O-N 3.21Å; R643-A659 VanDerWaalsContact CZ-O 3.26Å; R643-A659 PolarHBondContact NE-O 3.28Å; R643-A659 PolarHBondContact NH2-O 3.09Å; V645-A659 HydrophobicContact CG1-CB 4.41Å | ||
| 660 | R | 89.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | trans | -52.5 | 121.3 | 175.7 | -78.6 | -180 | -171.5 | -99.1 | -6.2 | 111 | S611 Q612 D615 S658 T662 L663 V664 G752 T754 | S611-R660 PolarHBondContact O-NH2 2.92Å; Q612-R660 PolarHBondContact O-N 2.95Å; Q612-R660 VanDerWaalsContact OE1-CD 3.27Å; D615-R660 WeakPolarHBondContact OD1-CB 3.44Å; S658-R660 WeakPolarHBondContact OG-CB 3.22Å; S658-R660 WeakPolarHBondContact OG-CG 3.25Å; S658-R660 PolarHBondContact OG-N 3.16Å; R660-T662 VanDerWaalsContact C-N 3.34Å; R660-T662 PolarHBondContact O-N 3.37Å; R660-L663 HydrophobicContact CB-CB 4.12Å; R660-L663 HydrophobicContact CB-CD1 4.12Å; R660-L663 HydrophobicContact CB-CG 4.05Å; R660-L663 PolarHBondContact O-N 3.04Å; R660-V664 WeakPolarHBondContact O-CG2 3.46Å; R660-V664 PolarHBondContact O-N 3.4Å; R660-G752 VanDerWaalsContact CZ-O 3.26Å; R660-G752 PolarHBondContact NH1-O 2.89Å; R660-G752 PolarHBondContact NH2-O 2.86Å; R660-T754 PolarHBondContact NH1-OG1 3.04Å | ||
| 661 | P | 85.9 | Confident | 79.8 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 7% | 0.065 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55 | -45.5 | -174.7 | -28.2 | 34.9 | 0 | 0 | 0 | 113.8 | D615 R643 V664 Q665 Y795 | D615-P661 VanDerWaalsContact OD2-CD 3.26Å; D615-P661 WeakPolarHBondContact OD2-CD 3.24Å; R643-P661 VanDerWaalsContact NH2-CD 3.31Å; P661-V664 PolarHBondContact O-N 2.86Å; P661-Q665 WeakPolarHBondContact O-CB 3.46Å; P661-Q665 PolarHBondContact O-N 3.48Å; P661-Y795 HydrophobicContact CB-CD1 3.89Å; P661-Y795 HydrophobicContact CB-CD2 3.29Å; P661-Y795 HydrophobicContact CB-CE1 4.08Å; P661-Y795 HydrophobicContact CB-CE2 3.49Å; P661-Y795 VanDerWaalsContact CB-CE2 3.49Å; P661-Y795 HydrophobicContact CB-CG 3.51Å; P661-Y795 HydrophobicContact CG-CD1 4.32Å; P661-Y795 HydrophobicContact CG-CD2 4.11Å; P661-Y795 HydrophobicContact CG-CG 3.91Å |
| 662 | T | 85.7 | Confident | 78.1 | Confident | 20 Ų | 20 | 49.7 Ų | 49.7 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 177.5 | 49.5 | 0 | 0 | 0 | 0 | 113.4 | D615 R660 Q665 A666 F706 | D615-T662 PolarHBondContact OD1-OG1 3.04Å; D615-T662 WeakPolarHBondContact OD2-CB 3.38Å; D615-T662 VanDerWaalsContact OD2-CG2 3.27Å; D615-T662 WeakPolarHBondContact OD2-CG2 3.26Å; D615-T662 PolarHBondContact OD2-N 3.28Å; D615-T662 PolarHBondContact OD2-OG1 2.97Å; R660-T662 VanDerWaalsContact C-N 3.34Å; R660-T662 PolarHBondContact O-N 3.37Å; T662-Q665 PolarHBondContact O-N 2.66Å; T662-A666 WeakPolarHBondContact O-CB 3.39Å; T662-A666 PolarHBondContact O-N 3.38Å; T662-F706 HydrophobicContact CG2-CE1 4.08Å |
| 663 | L | 88 | Confident | 76.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 178.1 | -65.5 | -174.7 | 0 | 0 | 0 | 112.1 | V646 I648 R660 Q665 A667 F692 F706 W708 | V646-L663 HydrophobicContact CG1-CB 4.09Å; I648-L663 HydrophobicContact CG2-CD1 4.07Å; R660-L663 HydrophobicContact CB-CB 4.12Å; R660-L663 HydrophobicContact CB-CD1 4.12Å; R660-L663 HydrophobicContact CB-CG 4.05Å; R660-L663 PolarHBondContact O-N 3.04Å; L663-Q665 VanDerWaalsContact C-N 3.32Å; L663-A667 WeakPolarHBondContact O-CB 3.4Å; L663-A667 PolarHBondContact O-N 3.02Å; L663-F692 HydrophobicContact CB-CD2 4.35Å; L663-F692 HydrophobicContact CB-CE2 4.17Å; L663-F692 HydrophobicContact CD2-CD2 4.31Å; L663-F692 HydrophobicContact CD2-CE2 4.43Å; L663-F692 WeakPolarHBondContact O-CD2 3.46Å; L663-F706 HydrophobicContact CD2-CB 3.78Å; L663-W708 HydrophobicContact CD1-CE3 3.88Å; L663-W708 HydrophobicContact CD1-CZ3 3.76Å |
| 664 | V | 87.2 | Confident | 74.9 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 13% | 0.127 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | L573 N644 V646 R660 P661 S668 | L573-V664 HydrophobicContact CD2-CG1 3.99Å; N644-V664 HydrophobicContact CB-CG1 4.09Å; N644-V664 WeakPolarHBondContact O-CG2 3.33Å; V646-V664 HydrophobicContact CB-CG2 4.33Å; V646-V664 HydrophobicContact CG1-CG2 4.02Å; R660-V664 WeakPolarHBondContact O-CG2 3.46Å; R660-V664 PolarHBondContact O-N 3.4Å; P661-V664 PolarHBondContact O-N 2.86Å; V664-S668 PolarHBondContact O-N 2.99Å |
| 665 | Q | 83.5 | Confident | 72.7 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.2 | -50.6 | 174 | 179.9 | 178.8 | 4.3 | 0 | 0 | 112.2 | P661 T662 L663 A667 S668 D669 Q791 | P661-Q665 WeakPolarHBondContact O-CB 3.46Å; P661-Q665 PolarHBondContact O-N 3.48Å; T662-Q665 PolarHBondContact O-N 2.66Å; L663-Q665 VanDerWaalsContact C-N 3.32Å; Q665-A667 PolarHBondContact O-N 3Å; Q665-S668 PolarHBondContact O-N 3.3Å; Q665-S668 PolarHBondContact O-OG 2.81Å; Q665-D669 PolarHBondContact O-N 3.43Å; Q665-Q791 VanDerWaalsContact OE1-CD 3.32Å |
| 666 | A | 83.7 | Confident | 70.3 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.4 | -30 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T662 F692 F706 | T662-A666 WeakPolarHBondContact O-CB 3.39Å; T662-A666 PolarHBondContact O-N 3.38Å; A666-F692 HydrophobicContact CB-CB 3.86Å; A666-F706 HydrophobicContact CB-CD2 3.64Å; A666-F706 HydrophobicContact CB-CE2 4Å |
| 667 | A | 84.9 | Confident | 67.6 | Low | 7 Ų | 7 | 65 Ų | 65 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -19.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L573 V646 L663 Q665 F692 | L573-A667 HydrophobicContact CD2-CB 4.4Å; L573-A667 HydrophobicContact CG-CB 4.37Å; V646-A667 HydrophobicContact CB-CB 4.45Å; V646-A667 HydrophobicContact CG2-CB 3.59Å; L663-A667 WeakPolarHBondContact O-CB 3.4Å; L663-A667 PolarHBondContact O-N 3.02Å; Q665-A667 PolarHBondContact O-N 3Å; A667-F692 HydrophobicContact CB-CB 4.46Å; A667-F692 HydrophobicContact CB-CD2 3.9Å; A667-F692 HydrophobicContact CB-CE2 4.27Å; A667-F692 HydrophobicContact CB-CG 4.07Å |
| 668 | S | 81.2 | Confident | 64.7 | Low | 48 Ų | 48 | 71.1 Ų | 71.1 | 34% | 0.336 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -32.6 | 177.6 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | V664 Q665 L670 | V664-S668 PolarHBondContact O-N 2.99Å; Q665-S668 PolarHBondContact O-N 3.3Å; Q665-S668 PolarHBondContact O-OG 2.81Å; S668-L670 PolarHBondContact O-N 3.2Å |
| 669 | D | 71 | Confident | 61.8 | Low | 70 Ų | 70 | 78.1 Ų | 78.1 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -64.9 | -25.4 | -172.1 | -76.4 | 24.2 | 0 | 0 | 0 | 113.1 | Q665 K671 T672 R689 | Q665-D669 PolarHBondContact O-N 3.43Å; D669-K671 PolarHBondContact O-N 2.92Å; D669-T672 PolarHBondContact O-OG1 3.44Å; D669-R689 IonicContact OD2-NH1 3.84Å |
| 670 | L | 56.4 | Low | 59 | Low | 91 Ų | 91 | 85.8 Ų | 85.8 | 48% | 0.476 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -68.8 | -2.5 | -172.1 | -142.3 | 97.2 | 0 | 0 | 0 | 115.8 | S668 T672 | S668-L670 PolarHBondContact O-N 3.2Å; L670-T672 VanDerWaalsContact C-N 3.3Å; L670-T672 PolarHBondContact O-N 3.2Å |
| 671 | K | 46.6 | Very low | 56.1 | Low | 174 Ų | 174 | 91.1 Ų | 91.1 | 76% | 0.757 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -80.5 | 4.4 | -174.1 | -85.1 | -161.9 | 171.8 | -165.8 | 0 | 115.7 | D669 | D669-K671 PolarHBondContact O-N 2.92Š|
| 672 | T | 38.9 | Very low | 53.3 | Low | 113 Ų | 113 | 97.6 Ų | 97.6 | 69% | 0.693 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -111.8 | -18 | -167.1 | 46.3 | 0 | 0 | 0 | 0 | 116.1 | D669 L670 | D669-T672 PolarHBondContact O-OG1 3.44Å; L670-T672 VanDerWaalsContact C-N 3.3Å; L670-T672 PolarHBondContact O-N 3.2Å |
| 673 | N | 36.1 | Very low | 50.7 | Low | 144 Ų | 144 | 102.1 Ų | 102.1 | 77% | 0.77 | 56% | 0.558 | S | S | * | * | trans | -117.6 | 30.8 | -163 | -67.1 | 7.4 | 0 | 0 | 0 | 115.1 | ||||
| 674 | I | 35.3 | Very low | 47.8 | Very low | 137 Ų | 137 | 112.3 Ų | 112.3 | 70% | 0.703 | 61% | 0.605 | S | S | * | * | trans | -93.8 | -9.4 | -171.2 | -68.3 | 175.7 | 0 | 0 | 0 | 114 | ||||
| 675 | N | 30.5 | Very low | 45.1 | Very low | 151 Ų | 151 | 115.5 Ų | 115.5 | 81% | 0.807 | 63% | 0.634 | S | S | * | * | trans | -117.7 | 69 | -175.3 | -68.4 | 23.5 | 0 | 0 | 0 | 113.2 | ||||
| 676 | I | 34.8 | Very low | 42.8 | Very low | 164 Ų | 164 | 118 Ų | 118 | 84% | 0.841 | 66% | 0.657 | S | S | * | * | trans | -137.9 | 123.5 | 156.9 | -59.1 | -177 | 0 | 0 | 0 | 107.7 | ||||
| 677 | D | 31.3 | Very low | 41 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 83% | 0.829 | 69% | 0.694 | S | S | * | * | trans | -79.5 | 172.5 | -179.8 | -78.6 | -66.2 | 0 | 0 | 0 | 113.3 | D679 | D677-D679 PolarHBondContact O-N 3.4Š| ||
| 678 | V | 30.9 | Very low | 39.5 | Very low | 128 Ų | 128 | 132 Ų | 132 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -57.9 | 120.8 | 176.1 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 679 | D | 28.4 | Very low | 38.8 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | 171.8 | 161 | 127.5 | -98.8 | -35.2 | 0 | 0 | 0 | 114 | D677 | D677-D679 PolarHBondContact O-N 3.4Š| |||
| 680 | M | 30.4 | Very low | 39 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | trans | 71.9 | 110.5 | 157 | -63.3 | -104.1 | -69.6 | 0 | 0 | 121.7 | ||||
| 681 | V | 28.8 | Very low | 40.2 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | 52.8 | 123 | 118.4 | -177.1 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 682 | D | 26 | Very low | 42.1 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | trans | 48.3 | 96.9 | 153.7 | -54.8 | -11.2 | 0 | 0 | 0 | 120.5 | ||||
| 683 | S | 30.3 | Very low | 44.4 | Very low | 115 Ų | 115 | 117.1 Ų | 117.1 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | trans | -161 | 109.8 | 155.4 | -84.5 | 0 | 0 | 0 | 0 | 113.3 | A685 | S683-A685 PolarHBondContact O-N 2.95Š| ||
| 684 | E | 29.1 | Very low | 46.8 | Very low | 214 Ų | 214 | 112.9 Ų | 112.9 | 100% | 1 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -76.8 | 31.9 | -178.5 | -60.6 | -166.7 | 127.1 | 0 | 0 | 115.1 | ||
| 685 | A | 29.9 | Very low | 49.2 | Very low | 89 Ų | 89 | 109.2 Ų | 109.2 | 74% | 0.736 | 59% | 0.593 | S | S | * | * | trans | -153.2 | 103.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S683 | S683-A685 PolarHBondContact O-N 2.95Š| ||
| 686 | S | 34 | Very low | 51.8 | Low | 99 Ų | 99 | 103.5 Ų | 103.5 | 69% | 0.692 | 56% | 0.561 | S | S | * | * | trans | -144.7 | 152.1 | 168.8 | 63.2 | 0 | 0 | 0 | 0 | 112.8 | K688 | S686-K688 PolarHBondContact O-N 2.94Å; S686-K688 VanDerWaalsContact O-N 3.09Å | ||
| 687 | D | 45.9 | Very low | 54.1 | Low | 162 Ų | 162 | 102.4 Ų | 102.4 | 87% | 0.866 | 56% | 0.557 | S | S | * | * | trans | -80.4 | 90.6 | -157.8 | -72.7 | -63.1 | 0 | 0 | 0 | 115.5 | R689 | D687-R689 PolarHBondContact O-N 3.4Š| ||
| 688 | K | 54.9 | Low | 56.6 | Low | 149 Ų | 149 | 98.1 Ų | 98.1 | 65% | 0.648 | 53% | 0.532 | S | S | * | . | trans | -79.9 | 80.1 | 174 | -61.1 | -171.5 | -179 | -174.7 | 0 | 112.3 | S686 | S686-K688 PolarHBondContact O-N 2.94Å; S686-K688 VanDerWaalsContact O-N 3.09Å | ||
| 689 | R | 66.7 | Low | 59.1 | Low | 158 Ų | 158 | 92.7 Ų | 92.7 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | trans | -77 | 145.4 | 158 | -63.6 | -176.1 | -177.8 | -177.3 | 3.6 | 109.7 | D669 D687 G691 Y784 | D669-R689 IonicContact OD2-NH1 3.84Å; D687-R689 PolarHBondContact O-N 3.4Å; R689-G691 PolarHBondContact O-N 3.39Å; R689-Y784 HydrophobicContact CB-CE2 4.18Å; R689-Y784 HydrophobicContact CG-CD2 3.88Å; R689-Y784 HydrophobicContact CG-CE2 3.82Å | ||
| 690 | P | 73.5 | Confident | 61.6 | Low | 7 Ų | 7 | 92.4 Ų | 92.4 | 5% | 0.045 | 49% | 0.492 | C | S | . | . | trans | -64.7 | 131.8 | 173.4 | 25 | -33.6 | 0 | 0 | 0 | 112.2 | Q704 F706 I756 Y784 | P690-Q704 VanDerWaalsContact CA-O 3.29Å; P690-Q704 WeakPolarHBondContact CA-O 3.32Å; P690-Q704 HydrophobicContact CB-CB 3.96Å; P690-F706 HydrophobicContact CB-CD2 4.09Å; P690-F706 HydrophobicContact CB-CE2 3.92Å; P690-F706 HydrophobicContact CB-CZ 4.41Å; P690-F706 HydrophobicContact CG-CD2 4.3Å; P690-F706 HydrophobicContact CG-CE2 3.63Å; P690-F706 HydrophobicContact CG-CZ 3.78Å; P690-F706 WeakPolarHBondContact O-CE2 3.27Å; P690-I756 HydrophobicContact CB-CG2 3.68Å; P690-I756 HydrophobicContact CG-CD1 4.4Å; P690-I756 HydrophobicContact CG-CG2 4.02Å; P690-Y784 VanDerWaalsContact CD-CE1 3.48Å; P690-Y784 WeakPolarHBondContact CD-OH 3.37Å; P690-Y784 HydrophobicContact CG-CE1 3.84Å; P690-Y784 WeakPolarHBondContact CG-OH 3.2Å | ||
| 691 | G | 81.5 | Confident | 64.3 | Low | 17 Ų | 17 | 89.4 Ų | 89.4 | 18% | 0.175 | 48% | 0.483 | C | S | . | . | B | Isolated β-bridge | trans | -94.5 | -178.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R689 Q704 W705 F706 | R689-G691 PolarHBondContact O-N 3.39Å; G691-Q704 PolarHBondContact N-O 2.94Å; G691-W705 VanDerWaalsContact C-CE3 3.41Å; G691-F706 PolarHBondContact O-N 2.88Å; G691-F706 VanDerWaalsContact O-N 3.1Å |
| 692 | F | 87.9 | Confident | 66.8 | Low | 2 Ų | 2 | 85.3 Ų | 85.3 | 1% | 0.009 | 46% | 0.464 | C | S | . | . | trans | -104.3 | 114.8 | 165.3 | -176.6 | -74.8 | 0 | 0 | 0 | 109.1 | I570 V646 I648 L663 A666 A667 R694 W705 P722 | I570-F692 HydrophobicContact CG2-CE1 4.12Å; V646-F692 HydrophobicContact CG1-CE2 4.07Å; V646-F692 HydrophobicContact CG2-CD2 4.5Å; V646-F692 HydrophobicContact CG2-CE2 3.66Å; V646-F692 HydrophobicContact CG2-CZ 3.69Å; I648-F692 HydrophobicContact CG2-CE2 4.38Å; I648-F692 HydrophobicContact CG2-CZ 4.29Å; L663-F692 HydrophobicContact CB-CD2 4.35Å; L663-F692 HydrophobicContact CB-CE2 4.17Å; L663-F692 HydrophobicContact CD2-CD2 4.31Å; L663-F692 HydrophobicContact CD2-CE2 4.43Å; L663-F692 WeakPolarHBondContact O-CD2 3.46Å; A666-F692 HydrophobicContact CB-CB 3.86Å; A667-F692 HydrophobicContact CB-CB 4.46Å; A667-F692 HydrophobicContact CB-CD2 3.9Å; A667-F692 HydrophobicContact CB-CE2 4.27Å; A667-F692 HydrophobicContact CB-CG 4.07Å; F692-R694 HydrophobicContact CD1-CG 4.26Å; F692-W705 WeakPolarHBondContact O-CZ3 3.47Å; F692-P722 HydrophobicContact CD1-CB 4.4Å; F692-P722 HydrophobicContact CD1-CG 4.17Å; F692-P722 HydrophobicContact CD2-CG 4.07Å; F692-P722 HydrophobicContact CE1-CB 3.61Å; F692-P722 HydrophobicContact CE1-CG 3.76Å; F692-P722 HydrophobicContact CE2-CB 4.17Å; F692-P722 HydrophobicContact CE2-CG 3.69Å; F692-P722 HydrophobicContact CG-CG 4.3Å; F692-P722 HydrophobicContact CZ-CB 3.48Å; F692-P722 VanDerWaalsContact CZ-CB 3.48Å; F692-P722 HydrophobicContact CZ-CG 3.52Å | ||
| 693 | L | 87 | Confident | 69.6 | Low | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 43% | 0.433 | C | S | . | . | trans | -73.1 | 135.9 | -177.3 | -166.6 | 74.2 | 0 | 0 | 0 | 111.1 | T695 E698 L699 W705 F721 P722 I725 | L693-T695 WeakPolarHBondContact CD1-O 3.44Å; L693-T695 WeakPolarHBondContact CG-O 3.16Å; L693-E698 HydrophobicContact CD1-CB 3.72Å; L693-L699 HydrophobicContact CD1-CD2 3.69Å; L693-L699 HydrophobicContact CD1-CG 4.05Å; L693-L699 HydrophobicContact CD2-CD2 3.76Å; L693-L699 HydrophobicContact CD2-CG 4.18Å; L693-L699 HydrophobicContact CG-CD2 4.41Å; L693-W705 HydrophobicContact CB-CD2 4.2Å; L693-W705 HydrophobicContact CB-CE3 3.83Å; L693-W705 HydrophobicContact CB-CZ3 4.27Å; L693-W705 HydrophobicContact CD1-CD2 3.8Å; L693-W705 HydrophobicContact CD1-CE3 3.98Å; L693-W705 HydrophobicContact CD1-CG 4.41Å; L693-W705 HydrophobicContact CD1-CH2 4.03Å; L693-W705 HydrophobicContact CD1-CZ2 3.86Å; L693-W705 HydrophobicContact CD1-CZ3 4.1Å; L693-F721 HydrophobicContact CD2-CB 3.82Å; L693-F721 HydrophobicContact CD2-CD1 4.04Å; L693-F721 HydrophobicContact CD2-CG 4Å; L693-P722 WeakPolarHBondContact O-CB 3.28Å; L693-I725 HydrophobicContact CD2-CB 4.43Å; L693-I725 HydrophobicContact CD2-CD1 3.65Å; L693-I725 HydrophobicContact CD2-CG2 4.44Å; L693-I725 HydrophobicContact CG-CD1 4.41Å | ||
| 694 | R | 86.3 | Confident | 72.3 | Confident | 54 Ų | 54 | 75.3 Ų | 75.3 | 20% | 0.204 | 40% | 0.402 | C | S | . | . | trans | -117.6 | -31.9 | -178.3 | -58.2 | 178.6 | -178.3 | -90.2 | -4.1 | 113.4 | I570 G571 F692 E698 A723 | I570-R694 PolarHBondContact O-NH1 2.94Å; G571-R694 PolarHBondContact O-NH1 3.41Å; G571-R694 PolarHBondContact O-NH2 3.49Å; F692-R694 HydrophobicContact CD1-CG 4.26Å; R694-E698 PolarHBondContact N-OE2 2.86Å; R694-A723 VanDerWaalsContact O-CB 3.25Å; R694-A723 WeakPolarHBondContact O-CB 3.3Å | ||
| 695 | T | 84.8 | Confident | 75.1 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 37% | 0.368 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -140 | 170.9 | 173.4 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | L693 D697 | L693-T695 WeakPolarHBondContact CD1-O 3.44Å; L693-T695 WeakPolarHBondContact CG-O 3.16Å; T695-D697 VanDerWaalsContact C-N 3.28Å; T695-D697 WeakPolarHBondContact CB-OD2 3.25Å; T695-D697 PolarHBondContact OG1-N 2.88Å; T695-D697 PolarHBondContact OG1-OD2 2.75Å |
| 696 | F | 85.2 | Confident | 78 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -71.2 | -27.6 | 176.4 | -168.8 | -85.4 | 0 | 0 | 0 | 111.8 | E698 L699 I725 V762 P764 C767 | F696-E698 PolarHBondContact O-N 2.55Å; F696-L699 HydrophobicContact CD1-CD1 4.37Å; F696-L699 HydrophobicContact CD2-CD1 3.64Å; F696-L699 HydrophobicContact CE1-CD1 4.35Å; F696-L699 HydrophobicContact CE2-CD1 3.62Å; F696-L699 HydrophobicContact CG-CD1 4.04Å; F696-L699 HydrophobicContact CZ-CD1 3.99Å; F696-L699 VanDerWaalsContact O-CB 3.25Å; F696-L699 WeakPolarHBondContact O-CB 3.31Å; F696-L699 WeakPolarHBondContact O-CG 3.47Å; F696-L699 PolarHBondContact O-N 3.02Å; F696-L699 VanDerWaalsContact O-N 3.07Å; F696-I725 HydrophobicContact CB-CD1 3.92Å; F696-I725 HydrophobicContact CD2-CD1 4.19Å; F696-I725 HydrophobicContact CD2-CG1 4.18Å; F696-I725 HydrophobicContact CD2-CG2 3.91Å; F696-I725 HydrophobicContact CE2-CG2 4.24Å; F696-V762 HydrophobicContact CE1-CG1 3.45Å; F696-V762 VanDerWaalsContact CE1-CG1 3.45Å; F696-V762 HydrophobicContact CZ-CG1 3.58Å; F696-P764 HydrophobicContact CE1-CB 4.16Å; F696-C767 HydrophobicContact CD2-CB 4.36Å; F696-C767 HydrophobicContact CE2-CB 4.19Å; F696-C767 WeakPolarHBondContact CE2-O 3.39Å |
| 697 | D | 83.4 | Confident | 80.7 | Confident | 141 Ų | 141 | 58.5 Ų | 58.5 | 75% | 0.754 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -70.1 | -17.7 | -175.4 | -34.8 | -75 | 0 | 0 | 0 | 113.1 | T695 L699 | T695-D697 VanDerWaalsContact C-N 3.28Å; T695-D697 WeakPolarHBondContact CB-OD2 3.25Å; T695-D697 PolarHBondContact OG1-N 2.88Å; T695-D697 PolarHBondContact OG1-OD2 2.75Å; D697-L699 PolarHBondContact O-N 2.95Å |
| 698 | E | 83.6 | Confident | 82.8 | Confident | 65 Ų | 65 | 51.7 Ų | 51.7 | 30% | 0.304 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -74.2 | -11.5 | 172.5 | -68 | 175.1 | 164 | 0 | 0 | 112.9 | L693 R694 F696 Q700 W705 | L693-E698 HydrophobicContact CD1-CB 3.72Å; R694-E698 PolarHBondContact N-OE2 2.86Å; F696-E698 PolarHBondContact O-N 2.55Å; E698-Q700 PolarHBondContact O-N 3.38Å; E698-Q700 VanDerWaalsContact O-N 3.1Å; E698-W705 HydrophobicContact CB-CH2 4.02Å; E698-W705 HydrophobicContact CB-CZ2 4.06Å; E698-W705 WeakPolarHBondContact O-CZ2 3.38Å |
| 699 | L | 82.9 | Confident | 84.5 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | trans | -76.1 | 96.2 | -178.2 | -66.5 | 175.6 | 0 | 0 | 0 | 112.7 | L693 F696 D697 I725 I759 V762 C769 | L693-L699 HydrophobicContact CD1-CD2 3.69Å; L693-L699 HydrophobicContact CD1-CG 4.05Å; L693-L699 HydrophobicContact CD2-CD2 3.76Å; L693-L699 HydrophobicContact CD2-CG 4.18Å; L693-L699 HydrophobicContact CG-CD2 4.41Å; F696-L699 HydrophobicContact CD1-CD1 4.37Å; F696-L699 HydrophobicContact CD2-CD1 3.64Å; F696-L699 HydrophobicContact CE1-CD1 4.35Å; F696-L699 HydrophobicContact CE2-CD1 3.62Å; F696-L699 HydrophobicContact CG-CD1 4.04Å; F696-L699 HydrophobicContact CZ-CD1 3.99Å; F696-L699 VanDerWaalsContact O-CB 3.25Å; F696-L699 WeakPolarHBondContact O-CB 3.31Å; F696-L699 WeakPolarHBondContact O-CG 3.47Å; F696-L699 PolarHBondContact O-N 3.02Å; F696-L699 VanDerWaalsContact O-N 3.07Å; D697-L699 PolarHBondContact O-N 2.95Å; L699-I725 HydrophobicContact CD1-CG2 4.21Å; L699-I759 HydrophobicContact CD2-CD1 3.69Å; L699-I759 HydrophobicContact CD2-CG1 3.98Å; L699-V762 HydrophobicContact CB-CG1 4.31Å; L699-V762 HydrophobicContact CB-CG2 4.04Å; L699-C769 HydrophobicContact CD1-CB 4.42Å | ||
| 700 | Q | 82.6 | Confident | 85.5 | Confident | 140 Ų | 140 | 38.5 Ų | 38.5 | 65% | 0.654 | 21% | 0.208 | S | C | * | . | trans | -98.9 | 143.1 | 169.5 | -62.7 | -179.3 | -5.5 | 0 | 0 | 111.6 | E698 G702 S703 I759 | E698-Q700 PolarHBondContact O-N 3.38Å; E698-Q700 VanDerWaalsContact O-N 3.1Å; Q700-G702 PolarHBondContact O-N 3.36Å; Q700-S703 VanDerWaalsContact O-CB 3.23Å; Q700-S703 WeakPolarHBondContact O-CB 3.5Å; Q700-S703 PolarHBondContact O-N 3.17Å; Q700-S703 PolarHBondContact O-OG 3.31Å; Q700-I759 WeakPolarHBondContact O-CB 3.33Å | ||
| 701 | V | 85.4 | Confident | 86.3 | Confident | 101 Ų | 101 | 41.4 Ų | 41.4 | 61% | 0.612 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 133.1 | 173.1 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | S703 V760 V762 | V701-S703 VanDerWaalsContact C-N 3.29Å; V701-S703 PolarHBondContact O-N 2.94Å; V701-V760 WeakPolarHBondContact CG1-O 3.47Å; V701-V762 HydrophobicContact CG2-CG2 4.45Å |
| 702 | G | 81.5 | Confident | 86.5 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -4.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q700 I759 | Q700-G702 PolarHBondContact O-N 3.36Å; G702-I759 PolarHBondContact N-O 3.03Å |
| 703 | S | 84.7 | Confident | 86.5 | Confident | 19 Ų | 19 | 47.2 Ų | 47.2 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | trans | -68.8 | 159 | 169.6 | 66.5 | 0 | 0 | 0 | 0 | 111.8 | Q700 V701 W705 K758 I759 | Q700-S703 VanDerWaalsContact O-CB 3.23Å; Q700-S703 WeakPolarHBondContact O-CB 3.5Å; Q700-S703 PolarHBondContact O-N 3.17Å; Q700-S703 PolarHBondContact O-OG 3.31Å; V701-S703 VanDerWaalsContact C-N 3.29Å; V701-S703 PolarHBondContact O-N 2.94Å; S703-W705 PolarHBondContact OG-NE1 3.26Å; S703-K758 WeakPolarHBondContact O-CA 3.2Å; S703-I759 PolarHBondContact O-N 2.96Å; S703-I759 WeakPolarHBondContact OG-CG1 3.4Å | ||
| 704 | Q | 87.2 | Confident | 86.2 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 15% | 0.15 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138 | -178.9 | -60.8 | -173.3 | 2 | 0 | 0 | 111.5 | P690 G691 T757 I778 | P690-Q704 VanDerWaalsContact CA-O 3.29Å; P690-Q704 WeakPolarHBondContact CA-O 3.32Å; P690-Q704 HydrophobicContact CB-CB 3.96Å; G691-Q704 PolarHBondContact N-O 2.94Å; Q704-T757 VanDerWaalsContact CA-O 3.24Å; Q704-T757 WeakPolarHBondContact CA-O 3.39Å; Q704-I778 VanDerWaalsContact CD-CG2 3.42Å; Q704-I778 HydrophobicContact CG-CG2 4.08Å; Q704-I778 PolarHBondContact NE2-O 2.88Å; Q704-I778 VanDerWaalsContact NE2-O 3.14Å |
| 705 | W | 89.3 | Confident | 86.2 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 145.5 | -173.5 | -58.7 | 97.5 | 0 | 0 | 0 | 112.3 | G691 F692 L693 E698 S703 F721 T757 | G691-W705 VanDerWaalsContact C-CE3 3.41Å; F692-W705 WeakPolarHBondContact O-CZ3 3.47Å; L693-W705 HydrophobicContact CB-CD2 4.2Å; L693-W705 HydrophobicContact CB-CE3 3.83Å; L693-W705 HydrophobicContact CB-CZ3 4.27Å; L693-W705 HydrophobicContact CD1-CD2 3.8Å; L693-W705 HydrophobicContact CD1-CE3 3.98Å; L693-W705 HydrophobicContact CD1-CG 4.41Å; L693-W705 HydrophobicContact CD1-CH2 4.03Å; L693-W705 HydrophobicContact CD1-CZ2 3.86Å; L693-W705 HydrophobicContact CD1-CZ3 4.1Å; E698-W705 HydrophobicContact CB-CH2 4.02Å; E698-W705 HydrophobicContact CB-CZ2 4.06Å; E698-W705 WeakPolarHBondContact O-CZ2 3.38Å; S703-W705 PolarHBondContact OG-NE1 3.26Å; W705-F721 HydrophobicContact CB-CD1 4.18Å; W705-F721 HydrophobicContact CB-CE1 3.88Å; W705-T757 PolarHBondContact N-O 3.13Å; W705-T757 VanDerWaalsContact N-O 3.14Å; W705-T757 PolarHBondContact O-N 3.33Å; W705-T757 PolarHBondContact O-OG1 3.35Å |
| 706 | F | 90.1 | Very high | 86.3 | Confident | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 138 | 170.1 | -71.5 | -80.5 | 0 | 0 | 0 | 111.9 | T662 L663 A666 P690 G691 T754 I756 | T662-F706 HydrophobicContact CG2-CE1 4.08Å; L663-F706 HydrophobicContact CD2-CB 3.78Å; A666-F706 HydrophobicContact CB-CD2 3.64Å; A666-F706 HydrophobicContact CB-CE2 4Å; P690-F706 HydrophobicContact CB-CD2 4.09Å; P690-F706 HydrophobicContact CB-CE2 3.92Å; P690-F706 HydrophobicContact CB-CZ 4.41Å; P690-F706 HydrophobicContact CG-CD2 4.3Å; P690-F706 HydrophobicContact CG-CE2 3.63Å; P690-F706 HydrophobicContact CG-CZ 3.78Å; P690-F706 WeakPolarHBondContact O-CE2 3.27Å; G691-F706 PolarHBondContact O-N 2.88Å; G691-F706 VanDerWaalsContact O-N 3.1Å; F706-T754 HydrophobicContact CD1-CG2 4.27Å; F706-I756 HydrophobicContact CD1-CG1 4.08Å; F706-I756 HydrophobicContact CE1-CD1 4.19Å; F706-I756 HydrophobicContact CE1-CG1 3.83Å |
| 707 | A | 90.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 178.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V719 H720 F721 T754 V755 T757 | A707-V719 HydrophobicContact CB-CG1 3.34Å; A707-H720 WeakPolarHBondContact CB-O 3.39Å; A707-F721 HydrophobicContact CB-CD1 3.61Å; A707-F721 HydrophobicContact CB-CE1 3.71Å; A707-F721 HydrophobicContact CB-CG 4.02Å; A707-F721 HydrophobicContact CB-CZ 4.22Å; A707-T754 CarbonylContact O-C 3.56Å; A707-T754 WeakPolarHBondContact O-CA 3.28Å; A707-T754 WeakPolarHBondContact O-CG2 3.49Å; A707-V755 PolarHBondContact N-O 2.78Å; A707-V755 PolarHBondContact O-N 3.41Å; A707-T757 HydrophobicContact CB-CG2 3.98Å |
| 708 | W | 90.9 | Very high | 87 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.3 | 176.9 | 61.7 | 90.8 | 0 | 0 | 0 | 113.4 | Q612 I648 L663 S710 V719 H720 F721 P722 A753 | Q612-W708 VanDerWaalsContact NE2-CE2 3.28Å; I648-W708 HydrophobicContact CB-CH2 4.21Å; I648-W708 HydrophobicContact CD1-CH2 3.72Å; I648-W708 HydrophobicContact CD1-CZ2 3.97Å; I648-W708 HydrophobicContact CD1-CZ3 4.48Å; L663-W708 HydrophobicContact CD1-CE3 3.88Å; L663-W708 HydrophobicContact CD1-CZ3 3.76Å; W708-S710 PolarHBondContact O-N 3.23Å; W708-V719 CarbonylContact O-C 3.59Å; W708-V719 WeakPolarHBondContact O-CA 3.29Å; W708-H720 AromaticContact CE2-CG 3.86Å; W708-H720 AromaticContact CE2-ND1 3.96Å; W708-H720 AromaticContact CH2-ND1 3.76Å; W708-H720 HydrophobicContact CZ2-CB 4.12Å; W708-H720 AromaticContact CZ2-CE1 3.67Å; W708-H720 AromaticContact CZ2-CG 3.64Å; W708-H720 AromaticContact CZ2-ND1 3.28Å; W708-H720 VanDerWaalsContact CZ2-ND1 3.28Å; W708-H720 WeakPolarHBondContact CZ2-ND1 3.36Å; W708-H720 PolarHBondContact N-O 3.02Å; W708-H720 AromaticContact NE1-CG 3.91Å; W708-H720 PolarHBondContact O-N 2.8Å; W708-F721 WeakPolarHBondContact CH2-O 3.38Å; W708-P722 HydrophobicContact CZ3-CG 4.44Å; W708-A753 CarbonylContact C-O 3.52Å; W708-A753 VanDerWaalsContact CA-O 3.24Å; W708-A753 WeakPolarHBondContact CA-O 3.28Å; W708-A753 WeakPolarHBondContact CB-O 3.23Å |
| 709 | V | 90.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 124.8 | 177.4 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | V717 F749 V751 G752 A753 V755 | V709-V717 HydrophobicContact CG1-CG1 3.65Å; V709-V717 HydrophobicContact CG2-CG1 4.38Å; V709-F749 HydrophobicContact CG2-CB 4.18Å; V709-V751 HydrophobicContact CG1-CG2 4.44Å; V709-G752 PolarHBondContact O-N 2.64Å; V709-A753 HydrophobicContact CG2-CB 4.33Å; V709-A753 PolarHBondContact N-O 3.41Å; V709-V755 HydrophobicContact CG2-CG1 4.06Å |
| 710 | S | 88.3 | Confident | 87.8 | Confident | 29 Ų | 29 | 46.2 Ų | 46.2 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -47 | 179.2 | 71.2 | 0 | 0 | 0 | 0 | 112.9 | W708 F718 V751 | W708-S710 PolarHBondContact O-N 3.23Å; S710-F718 PolarHBondContact N-O 2.95Å; S710-F718 WeakPolarHBondContact OG-CB 3.35Å; S710-F718 PolarHBondContact OG-O 3.19Å; S710-V751 VanDerWaalsContact O-CG1 3.28Å; S710-V751 WeakPolarHBondContact O-CG1 3.11Å |
| 711 | H | 88.8 | Confident | 88.2 | Confident | 68 Ų | 68 | 39.6 Ų | 39.6 | 32% | 0.315 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 169.8 | 177.9 | 68.2 | -71.3 | 0 | 0 | 0 | 111.9 | K713 F718 | H711-K713 VanDerWaalsContact NE2-CE 3.32Å; H711-K713 WeakPolarHBondContact NE2-CE 3.44Å; H711-F718 VanDerWaalsContact CE1-CB 3.43Å; H711-F718 WeakPolarHBondContact CE1-CB 3.45Å; H711-F718 AromaticContact CE1-CD2 3.78Å; H711-F718 AromaticContact CE1-CG 3.48Å; H711-F718 VanDerWaalsContact CE1-CG 3.48Å; H711-F718 WeakPolarHBondContact CE1-CG 3.28Å; H711-F718 PolarHBondContact N-O 2.77Å; H711-F718 AromaticContact NE2-CD2 3.68Å; H711-F718 AromaticContact NE2-CG 3.88Å; H711-F718 PolarHBondContact O-N 3.13Å |
| 712 | H | 86.3 | Confident | 88.3 | Confident | 42 Ų | 42 | 34.8 Ų | 34.8 | 19% | 0.194 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 154.5 | 179.3 | -55.4 | -92.1 | 0 | 0 | 0 | 111.8 | W745 T746 F749 | H712-W745 PolarHBondContact CE1-O 3.28Å; H712-T746 PolarHBondContact CD2-OG1 3.02Å; H712-T746 VanDerWaalsContact CD2-OG1 3.25Å; H712-T746 PolarHBondContact NE2-OG1 2.86Å; H712-F749 PolarHBondContact CE1-O 3.02Å; H712-F749 PolarHBondContact NE2-O 2.78Å |
| 713 | K | 88 | Confident | 88.3 | Confident | 100 Ų | 100 | 34.6 Ų | 34.6 | 44% | 0.435 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 165.9 | 166 | -63.1 | -63.4 | -175.5 | -164.6 | 0 | 109.8 | H711 Y715 G716 F718 | H711-K713 VanDerWaalsContact NE2-CE 3.32Å; H711-K713 WeakPolarHBondContact NE2-CE 3.44Å; K713-Y715 HydrophobicContact CB-CD1 3.99Å; K713-Y715 HydrophobicContact CB-CD2 4.39Å; K713-Y715 HydrophobicContact CB-CE1 3.66Å; K713-Y715 HydrophobicContact CB-CE2 4.1Å; K713-Y715 HydrophobicContact CB-CG 4.35Å; K713-Y715 HydrophobicContact CG-CE1 4.08Å; K713-Y715 HydrophobicContact CG-CE2 4.41Å; K713-Y715 PolarHBondContact O-N 2.79Å; K713-G716 PolarHBondContact N-O 2.9Å; K713-G716 PolarHBondContact O-N 2.94Å; K713-F718 HydrophobicContact CB-CE2 4.34Å; K713-F718 HydrophobicContact CG-CD2 3.93Å; K713-F718 HydrophobicContact CG-CE2 3.6Å |
| 714 | D | 80.7 | Confident | 88.2 | Confident | 148 Ų | 148 | 35 Ų | 35 | 79% | 0.791 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.7 | -178.7 | -58.2 | -58.8 | 0 | 0 | 0 | 114.4 | K731 | D714-K731 WeakPolarHBondContact O-CE 3.43Å; D714-K731 PolarHBondContact O-NZ 3.37Å |
| 715 | Y | 86.5 | Confident | 88.1 | Confident | 127 Ų | 127 | 34.2 Ų | 34.2 | 50% | 0.498 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -13.3 | 176.7 | 52.9 | -97.4 | 0 | 0 | 0 | 114.7 | K713 F718 L728 K731 | K713-Y715 HydrophobicContact CB-CD1 3.99Å; K713-Y715 HydrophobicContact CB-CD2 4.39Å; K713-Y715 HydrophobicContact CB-CE1 3.66Å; K713-Y715 HydrophobicContact CB-CE2 4.1Å; K713-Y715 HydrophobicContact CB-CG 4.35Å; K713-Y715 HydrophobicContact CG-CE1 4.08Å; K713-Y715 HydrophobicContact CG-CE2 4.41Å; K713-Y715 PolarHBondContact O-N 2.79Å; Y715-F718 AromaticContact CE2-CE2 3.66Å; Y715-F718 HydrophobicContact CE2-CE2 3.66Å; Y715-F718 AromaticContact CE2-CZ 3.94Å; Y715-F718 HydrophobicContact CE2-CZ 3.94Å; Y715-F718 AromaticContact CZ-CE2 3.88Å; Y715-F718 WeakPolarHBondContact OH-CE2 3.29Å; Y715-F718 WeakPolarHBondContact OH-CZ 3.39Å; Y715-L728 HydrophobicContact CD2-CD1 4.04Å; Y715-L728 HydrophobicContact CD2-CD2 4.07Å; Y715-L728 HydrophobicContact CE2-CD1 3.83Å; Y715-L728 HydrophobicContact CE2-CD2 3.79Å; Y715-L728 HydrophobicContact CE2-CG 4.5Å; Y715-K731 PolarHBondContact O-N 2.87Å |
| 716 | G | 87.3 | Confident | 88.1 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | -176.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K713 A729 | K713-G716 PolarHBondContact N-O 2.9Å; K713-G716 PolarHBondContact O-N 2.94Å; G716-A729 CarbonylContact C-O 3.39Å; G716-A729 WeakPolarHBondContact CA-O 3.38Å |
| 717 | V | 90.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | V709 V719 A729 L734 | V709-V717 HydrophobicContact CG1-CG1 3.65Å; V709-V717 HydrophobicContact CG2-CG1 4.38Å; V717-V719 HydrophobicContact CG1-CG2 4.34Å; V717-A729 PolarHBondContact N-O 3.42Å; V717-A729 PolarHBondContact O-N 3.34Å; V717-L734 HydrophobicContact CB-CD2 3.79Å; V717-L734 HydrophobicContact CG2-CD1 3.81Å; V717-L734 HydrophobicContact CG2-CD2 3.57Å; V717-L734 HydrophobicContact CG2-CG 4.38Å |
| 718 | F | 92.7 | Very high | 88.3 | Confident | 39 Ų | 39 | 38.5 Ų | 38.5 | 17% | 0.171 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.9 | 175 | -80.1 | -94.8 | 0 | 0 | 0 | 110.2 | S710 H711 K713 Y715 L728 | S710-F718 PolarHBondContact N-O 2.95Å; S710-F718 WeakPolarHBondContact OG-CB 3.35Å; S710-F718 PolarHBondContact OG-O 3.19Å; H711-F718 VanDerWaalsContact CE1-CB 3.43Å; H711-F718 WeakPolarHBondContact CE1-CB 3.45Å; H711-F718 AromaticContact CE1-CD2 3.78Å; H711-F718 AromaticContact CE1-CG 3.48Å; H711-F718 VanDerWaalsContact CE1-CG 3.48Å; H711-F718 WeakPolarHBondContact CE1-CG 3.28Å; H711-F718 PolarHBondContact N-O 2.77Å; H711-F718 AromaticContact NE2-CD2 3.68Å; H711-F718 AromaticContact NE2-CG 3.88Å; H711-F718 PolarHBondContact O-N 3.13Å; K713-F718 HydrophobicContact CB-CE2 4.34Å; K713-F718 HydrophobicContact CG-CD2 3.93Å; K713-F718 HydrophobicContact CG-CE2 3.6Å; Y715-F718 AromaticContact CE2-CE2 3.66Å; Y715-F718 HydrophobicContact CE2-CE2 3.66Å; Y715-F718 AromaticContact CE2-CZ 3.94Å; Y715-F718 HydrophobicContact CE2-CZ 3.94Å; Y715-F718 AromaticContact CZ-CE2 3.88Å; Y715-F718 WeakPolarHBondContact OH-CE2 3.29Å; Y715-F718 WeakPolarHBondContact OH-CZ 3.39Å; F718-L728 HydrophobicContact CD2-CD1 4.07Å; F718-L728 HydrophobicContact CE1-CB 4.24Å; F718-L728 HydrophobicContact CE1-CD1 4.4Å; F718-L728 HydrophobicContact CE2-CD1 3.74Å; F718-L728 HydrophobicContact CZ-CB 4.46Å; F718-L728 HydrophobicContact CZ-CD1 3.93Å; F718-L728 HydrophobicContact CZ-CD2 4.4Å; F718-L728 HydrophobicContact CZ-CG 4.5Å |
| 719 | V | 91.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.4 | -176.8 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | A707 W708 V717 Y726 G727 V755 T757 I771 L773 | A707-V719 HydrophobicContact CB-CG1 3.34Å; W708-V719 CarbonylContact O-C 3.59Å; W708-V719 WeakPolarHBondContact O-CA 3.29Å; V717-V719 HydrophobicContact CG1-CG2 4.34Å; V719-Y726 WeakPolarHBondContact O-CA 3.38Å; V719-G727 PolarHBondContact N-O 3.21Å; V719-G727 PolarHBondContact O-N 3.49Å; V719-V755 HydrophobicContact CG1-CG2 3.7Å; V719-V755 HydrophobicContact CG2-CG2 4.16Å; V719-T757 HydrophobicContact CG1-CG2 3.9Å; V719-I771 HydrophobicContact CB-CD1 3.63Å; V719-I771 HydrophobicContact CG1-CD1 4.19Å; V719-I771 HydrophobicContact CG2-CD1 3.79Å; V719-L773 HydrophobicContact CG2-CD1 4.14Å; V719-L773 HydrophobicContact CG2-CD2 4.37Å |
| 720 | H | 91.7 | Very high | 88.4 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 13% | 0.125 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.4 | -174.9 | -172.4 | -35.6 | 0 | 0 | 0 | 108.8 | A707 W708 Y726 | A707-H720 WeakPolarHBondContact CB-O 3.39Å; W708-H720 AromaticContact CE2-CG 3.86Å; W708-H720 AromaticContact CE2-ND1 3.96Å; W708-H720 AromaticContact CH2-ND1 3.76Å; W708-H720 HydrophobicContact CZ2-CB 4.12Å; W708-H720 AromaticContact CZ2-CE1 3.67Å; W708-H720 AromaticContact CZ2-CG 3.64Å; W708-H720 AromaticContact CZ2-ND1 3.28Å; W708-H720 VanDerWaalsContact CZ2-ND1 3.28Å; W708-H720 WeakPolarHBondContact CZ2-ND1 3.36Å; W708-H720 PolarHBondContact N-O 3.02Å; W708-H720 AromaticContact NE1-CG 3.91Å; W708-H720 PolarHBondContact O-N 2.8Å; H720-Y726 HydrophobicContact CB-CD1 4.4Å; H720-Y726 HydrophobicContact CB-CE1 4.26Å; H720-Y726 AromaticContact CD2-CE1 3.56Å; H720-Y726 AromaticContact CD2-CE2 3.96Å; H720-Y726 AromaticContact CD2-CZ 3.29Å; H720-Y726 PolarHBondContact CD2-OH 2.89Å; H720-Y726 AromaticContact NE2-CE2 3.99Å; H720-Y726 AromaticContact NE2-CZ 3.65Å; H720-Y726 PolarHBondContact NE2-OH 2.81Å |
| 721 | F | 90.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -90.5 | 168.4 | 176.3 | -65 | -90.4 | 0 | 0 | 0 | 110.1 | L693 W705 A707 W708 I725 T757 I759 I771 | L693-F721 HydrophobicContact CD2-CB 3.82Å; L693-F721 HydrophobicContact CD2-CD1 4.04Å; L693-F721 HydrophobicContact CD2-CG 4Å; W705-F721 HydrophobicContact CB-CD1 4.18Å; W705-F721 HydrophobicContact CB-CE1 3.88Å; A707-F721 HydrophobicContact CB-CD1 3.61Å; A707-F721 HydrophobicContact CB-CE1 3.71Å; A707-F721 HydrophobicContact CB-CG 4.02Å; A707-F721 HydrophobicContact CB-CZ 4.22Å; W708-F721 WeakPolarHBondContact CH2-O 3.38Å; F721-I725 HydrophobicContact CB-CB 4.13Å; F721-I725 HydrophobicContact CD2-CG2 4.15Å; F721-I725 PolarHBondContact N-O 2.81Å; F721-T757 HydrophobicContact CE1-CG2 4.03Å; F721-T757 VanDerWaalsContact CE1-OG1 3.23Å; F721-T757 WeakPolarHBondContact CE1-OG1 3.34Å; F721-T757 HydrophobicContact CZ-CG2 3.84Å; F721-T757 WeakPolarHBondContact CZ-OG1 3.17Å; F721-I759 HydrophobicContact CZ-CD1 4.25Å; F721-I771 HydrophobicContact CE2-CG2 4.46Å; F721-I771 HydrophobicContact CZ-CD1 4.47Å; F721-I771 HydrophobicContact CZ-CG2 4.08Å | ||
| 722 | P | 86.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -59.4 | 168.6 | 159.4 | -8.6 | 22.8 | 0 | 0 | 0 | 111.2 | I570 I648 F692 L693 W708 G724 | I570-P722 HydrophobicContact CG2-CB 4.39Å; I648-P722 HydrophobicContact CB-CB 4.4Å; I648-P722 CarbonylContact O-C 3.5Å; I648-P722 WeakPolarHBondContact O-CA 3.41Å; F692-P722 HydrophobicContact CD1-CB 4.4Å; F692-P722 HydrophobicContact CD1-CG 4.17Å; F692-P722 HydrophobicContact CD2-CG 4.07Å; F692-P722 HydrophobicContact CE1-CB 3.61Å; F692-P722 HydrophobicContact CE1-CG 3.76Å; F692-P722 HydrophobicContact CE2-CB 4.17Å; F692-P722 HydrophobicContact CE2-CG 3.69Å; F692-P722 HydrophobicContact CG-CG 4.3Å; F692-P722 HydrophobicContact CZ-CB 3.48Å; F692-P722 VanDerWaalsContact CZ-CB 3.48Å; F692-P722 HydrophobicContact CZ-CG 3.52Å; L693-P722 WeakPolarHBondContact O-CB 3.28Å; W708-P722 HydrophobicContact CZ3-CG 4.44Å; P722-G724 VanDerWaalsContact C-N 3.26Å; P722-G724 PolarHBondContact O-N 3.18Å |
| 723 | A | 82.7 | Confident | 88.2 | Confident | 24 Ų | 24 | 42.9 Ų | 42.9 | 20% | 0.198 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | 62.8 | 20.5 | -172 | 0 | 0 | 0 | 0 | 0 | 115.9 | I570 I648 R694 I725 | I570-A723 HydrophobicContact CD1-CB 3.95Å; I570-A723 HydrophobicContact CG2-CB 4.2Å; I648-A723 PolarHBondContact O-N 3.33Å; R694-A723 VanDerWaalsContact O-CB 3.25Å; R694-A723 WeakPolarHBondContact O-CB 3.3Å; A723-I725 VanDerWaalsContact C-N 3.26Å; A723-I725 HydrophobicContact CB-CD1 4.04Å; A723-I725 HydrophobicContact CB-CG1 4.46Å; A723-I725 PolarHBondContact O-N 3.01Å |
| 724 | G | 81.1 | Confident | 88.2 | Confident | 26 Ų | 26 | 38.1 Ų | 38.1 | 27% | 0.268 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | 73.7 | 13 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P722 Y726 | P722-G724 VanDerWaalsContact C-N 3.26Å; P722-G724 PolarHBondContact O-N 3.18Å; G724-Y726 VanDerWaalsContact O-CD2 3.23Å; G724-Y726 WeakPolarHBondContact O-CD2 3.22Å; G724-Y726 VanDerWaalsContact O-CE2 3.3Å; G724-Y726 WeakPolarHBondContact O-CE2 3.38Å |
| 725 | I | 86.9 | Confident | 88.2 | Confident | 17 Ų | 17 | 31.6 Ų | 31.6 | 9% | 0.087 | 15% | 0.153 | C | C | . | . | trans | -86 | 142 | -174.3 | -63.4 | 161.2 | 0 | 0 | 0 | 110.6 | L693 F696 L699 F721 A723 | L693-I725 HydrophobicContact CD2-CB 4.43Å; L693-I725 HydrophobicContact CD2-CD1 3.65Å; L693-I725 HydrophobicContact CD2-CG2 4.44Å; L693-I725 HydrophobicContact CG-CD1 4.41Å; F696-I725 HydrophobicContact CB-CD1 3.92Å; F696-I725 HydrophobicContact CD2-CD1 4.19Å; F696-I725 HydrophobicContact CD2-CG1 4.18Å; F696-I725 HydrophobicContact CD2-CG2 3.91Å; F696-I725 HydrophobicContact CE2-CG2 4.24Å; L699-I725 HydrophobicContact CD1-CG2 4.21Å; F721-I725 HydrophobicContact CB-CB 4.13Å; F721-I725 HydrophobicContact CD2-CG2 4.15Å; F721-I725 PolarHBondContact N-O 2.81Å; A723-I725 VanDerWaalsContact C-N 3.26Å; A723-I725 HydrophobicContact CB-CD1 4.04Å; A723-I725 HydrophobicContact CB-CG1 4.46Å; A723-I725 PolarHBondContact O-N 3.01Å | ||
| 726 | Y | 89.3 | Confident | 87.8 | Confident | 105 Ų | 105 | 27.8 Ų | 27.8 | 41% | 0.412 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.8 | -178.7 | -70 | -103.1 | 0 | 0 | 0 | 111.1 | V719 H720 G724 | V719-Y726 WeakPolarHBondContact O-CA 3.38Å; H720-Y726 HydrophobicContact CB-CD1 4.4Å; H720-Y726 HydrophobicContact CB-CE1 4.26Å; H720-Y726 AromaticContact CD2-CE1 3.56Å; H720-Y726 AromaticContact CD2-CE2 3.96Å; H720-Y726 AromaticContact CD2-CZ 3.29Å; H720-Y726 PolarHBondContact CD2-OH 2.89Å; H720-Y726 AromaticContact NE2-CE2 3.99Å; H720-Y726 AromaticContact NE2-CZ 3.65Å; H720-Y726 PolarHBondContact NE2-OH 2.81Å; G724-Y726 VanDerWaalsContact O-CD2 3.23Å; G724-Y726 WeakPolarHBondContact O-CD2 3.22Å; G724-Y726 VanDerWaalsContact O-CE2 3.3Å; G724-Y726 WeakPolarHBondContact O-CE2 3.38Å |
| 727 | G | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 146.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V719 C769 | V719-G727 PolarHBondContact N-O 3.21Å; V719-G727 PolarHBondContact O-N 3.49Å; G727-C769 WeakPolarHBondContact CA-O 3.3Å; G727-C769 VanDerWaalsContact CA-SG 3.53Å |
| 728 | L | 93.2 | Very high | 86.2 | Confident | 33 Ų | 33 | 42.6 Ų | 42.6 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.4 | 171.8 | 171.9 | 60.5 | 0 | 0 | 0 | 109.9 | Y715 F718 P730 C769 L770 I771 | Y715-L728 HydrophobicContact CD2-CD1 4.04Å; Y715-L728 HydrophobicContact CD2-CD2 4.07Å; Y715-L728 HydrophobicContact CE2-CD1 3.83Å; Y715-L728 HydrophobicContact CE2-CD2 3.79Å; Y715-L728 HydrophobicContact CE2-CG 4.5Å; F718-L728 HydrophobicContact CD2-CD1 4.07Å; F718-L728 HydrophobicContact CE1-CB 4.24Å; F718-L728 HydrophobicContact CE1-CD1 4.4Å; F718-L728 HydrophobicContact CE2-CD1 3.74Å; F718-L728 HydrophobicContact CZ-CB 4.46Å; F718-L728 HydrophobicContact CZ-CD1 3.93Å; F718-L728 HydrophobicContact CZ-CD2 4.4Å; F718-L728 HydrophobicContact CZ-CG 4.5Å; L728-P730 HydrophobicContact CG-CG 4.48Å; L728-P730 WeakPolarHBondContact O-CD 3.41Å; L728-C769 PolarHBondContact N-O 3.49Å; L728-L770 HydrophobicContact CB-CD2 4.12Å; L728-L770 HydrophobicContact CD2-CD2 4.18Å; L728-L770 HydrophobicContact CG-CD2 4.24Å; L728-L770 WeakPolarHBondContact O-CA 3.36Å; L728-I771 VanDerWaalsContact C-CG1 3.46Å; L728-I771 VanDerWaalsContact O-CG1 3.26Å; L728-I771 WeakPolarHBondContact O-CG1 3.33Å; L728-I771 PolarHBondContact O-N 2.87Å |
| 729 | A | 92.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 100.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G716 V717 L734 I771 L773 | G716-A729 CarbonylContact C-O 3.39Å; G716-A729 WeakPolarHBondContact CA-O 3.38Å; V717-A729 PolarHBondContact N-O 3.42Å; V717-A729 PolarHBondContact O-N 3.34Å; A729-L734 HydrophobicContact CB-CD2 3.56Å; A729-I771 WeakPolarHBondContact CA-O 3.43Å; A729-I771 HydrophobicContact CB-CD1 4.19Å; A729-I771 HydrophobicContact CB-CG1 3.99Å; A729-L773 HydrophobicContact CB-CD1 3.92Å; A729-L773 HydrophobicContact CB-CG 3.84Å |
| 730 | P | 90.5 | Very high | 83.6 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 152.6 | 173.1 | -23.9 | 33.8 | 0 | 0 | 0 | 112 | L728 H732 L733 L734 L770 | L728-P730 HydrophobicContact CG-CG 4.48Å; L728-P730 WeakPolarHBondContact O-CD 3.41Å; P730-H732 PolarHBondContact O-N 3.16Å; P730-L733 WeakPolarHBondContact O-CA 3.48Å; P730-L733 PolarHBondContact O-N 3.23Å; P730-L734 PolarHBondContact O-N 3.02Å; P730-L770 HydrophobicContact CG-CD2 4.14Å |
| 731 | K | 86.5 | Confident | 82.1 | Confident | 92 Ų | 92 | 52 Ų | 52 | 40% | 0.4 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -47.1 | -35.1 | 179.4 | -89.8 | 174.6 | 167.7 | 173.3 | 0 | 114.9 | D714 Y715 L733 L734 W745 | D714-K731 WeakPolarHBondContact O-CE 3.43Å; D714-K731 PolarHBondContact O-NZ 3.37Å; Y715-K731 PolarHBondContact O-N 2.87Å; K731-L733 VanDerWaalsContact C-N 3.29Å; K731-L733 PolarHBondContact O-N 2.84Å; K731-L734 HydrophobicContact CG-CD1 4.29Å; K731-W745 HydrophobicContact CG-CZ2 4.41Å |
| 732 | H | 84.9 | Confident | 80.9 | Confident | 123 Ų | 123 | 57.5 Ų | 57.5 | 57% | 0.569 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -79.9 | -4.6 | -179.9 | 69.2 | -101.2 | 0 | 0 | 0 | 114.6 | P730 K774 | P730-H732 PolarHBondContact O-N 3.16Å; H732-K774 WeakPolarHBondContact O-CE 3.3Å; H732-K774 PolarHBondContact O-NZ 2.99Å |
| 733 | L | 88.8 | Confident | 80.1 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -115.6 | 7.5 | 175.3 | -61 | -175.2 | 0 | 0 | 0 | 113.3 | P730 K731 V760 S772 L773 K774 | P730-L733 WeakPolarHBondContact O-CA 3.48Å; P730-L733 PolarHBondContact O-N 3.23Å; K731-L733 VanDerWaalsContact C-N 3.29Å; K731-L733 PolarHBondContact O-N 2.84Å; L733-V760 HydrophobicContact CD1-CB 4.48Å; L733-V760 HydrophobicContact CD1-CG1 4.4Å; L733-V760 HydrophobicContact CD1-CG2 4.1Å; L733-S772 PolarHBondContact O-OG 3.29Å; L733-L773 PolarHBondContact O-N 3.39Å; L733-K774 HydrophobicContact CD2-CD 4.4Å; L733-K774 PolarHBondContact O-N 2.94Å |
| 734 | L | 86.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -82.2 | -28.1 | 178.7 | -65.5 | 177.9 | 0 | 0 | 0 | 114 | V717 A729 P730 K731 W745 F749 L773 | V717-L734 HydrophobicContact CB-CD2 3.79Å; V717-L734 HydrophobicContact CG2-CD1 3.81Å; V717-L734 HydrophobicContact CG2-CD2 3.57Å; V717-L734 HydrophobicContact CG2-CG 4.38Å; A729-L734 HydrophobicContact CB-CD2 3.56Å; P730-L734 PolarHBondContact O-N 3.02Å; K731-L734 HydrophobicContact CG-CD1 4.29Å; L734-W745 HydrophobicContact CB-CE3 3.99Å; L734-W745 HydrophobicContact CB-CH2 3.68Å; L734-W745 HydrophobicContact CB-CZ3 3.39Å; L734-W745 HydrophobicContact CD1-CD2 3.53Å; L734-W745 HydrophobicContact CD1-CE3 3.48Å; L734-W745 VanDerWaalsContact CD1-CE3 3.48Å; L734-W745 HydrophobicContact CD1-CG 4.16Å; L734-W745 HydrophobicContact CD1-CH2 3.89Å; L734-W745 HydrophobicContact CD1-CZ2 3.97Å; L734-W745 HydrophobicContact CD1-CZ3 3.67Å; L734-W745 HydrophobicContact CG-CE3 4.35Å; L734-W745 HydrophobicContact CG-CH2 4.41Å; L734-W745 HydrophobicContact CG-CZ3 4.17Å; L734-F749 HydrophobicContact CB-CE2 4.26Å; L734-F749 WeakPolarHBondContact O-CE2 3.24Å; L734-F749 WeakPolarHBondContact O-CZ 3.48Å; L734-L773 HydrophobicContact CD2-CD1 3.89Å |
| 735 | S | 81.4 | Confident | 79.9 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | trans | -151.2 | 148.1 | -173.4 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | F737 K774 | S735-F737 PolarHBondContact O-N 3.19Å; S735-F737 PolarHBondContact OG-O 3.22Å; S735-K774 WeakPolarHBondContact O-CE 3.37Å | ||
| 736 | D | 77.8 | Confident | 79.7 | Confident | 47 Ų | 47 | 64.8 Ų | 64.8 | 25% | 0.251 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -62.7 | -25.5 | 177.7 | -62 | -15.8 | 0 | 0 | 0 | 112.9 | K774 M775 F776 | D736-K774 VanDerWaalsContact OD1-C 3.31Å; D736-K774 WeakPolarHBondContact OD1-CA 3.33Å; D736-K774 VanDerWaalsContact OD1-CB 3.23Å; D736-K774 WeakPolarHBondContact OD1-CB 3.43Å; D736-M775 PolarHBondContact OD1-N 3.28Å; D736-M775 WeakPolarHBondContact OD2-CB 3.27Å; D736-F776 HydrophobicContact CB-CD2 3.54Å; D736-F776 HydrophobicContact CB-CE2 3.98Å; D736-F776 HydrophobicContact CB-CG 4.41Å; D736-F776 VanDerWaalsContact CG-N 3.33Å; D736-F776 PolarHBondContact OD1-N 2.76Å; D736-F776 WeakPolarHBondContact OD2-CD2 3.35Å; D736-F776 PolarHBondContact OD2-N 3.49Å; D736-F776 VanDerWaalsContact OD2-N 3.12Å |
| 737 | F | 75.3 | Confident | 79.1 | Confident | 61 Ų | 61 | 65 Ų | 65 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -111.9 | 147 | -175.3 | -55.9 | -97.3 | 0 | 0 | 0 | 109.9 | S735 T739 V951 R1186 | S735-F737 PolarHBondContact O-N 3.19Å; S735-F737 PolarHBondContact OG-O 3.22Å; F737-T739 PolarHBondContact O-N 3.02Å; F737-T739 VanDerWaalsContact O-N 3.15Å; F737-V951 HydrophobicContact CD2-CB 3.84Å; F737-V951 HydrophobicContact CD2-CG1 4.06Å; F737-V951 HydrophobicContact CD2-CG2 3.46Å; F737-V951 VanDerWaalsContact CD2-CG2 3.46Å; F737-V951 HydrophobicContact CE2-CB 3.7Å; F737-V951 HydrophobicContact CE2-CG1 3.73Å; F737-V951 HydrophobicContact CE2-CG2 3.89Å; F737-V951 HydrophobicContact CG-CG2 4.18Å; F737-V951 HydrophobicContact CZ-CG1 4.06Å; F737-R1186 HydrophobicContact CE1-CB 3.76Å; F737-R1186 HydrophobicContact CE1-CG 4.38Å; F737-R1186 HydrophobicContact CZ-CB 4.48Å |
| 738 | R | 68.3 | Low | 78.6 | Confident | 254 Ų | 254 | 66.7 Ų | 66.7 | 96% | 0.958 | 33% | 0.334 | S | S | * | . | trans | -72.5 | 104.1 | 174.7 | -170.9 | 173.5 | -173.9 | 145 | 0.7 | 109.5 | ||||
| 739 | T | 64.1 | Low | 78.1 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | trans | -70.2 | 161.3 | 177.6 | 48.6 | 0 | 0 | 0 | 0 | 112.1 | F737 T743 W745 | F737-T739 PolarHBondContact O-N 3.02Å; F737-T739 VanDerWaalsContact O-N 3.15Å; T739-T743 HydrophobicContact CG2-CG2 4.1Å; T739-W745 HydrophobicContact CG2-CH2 3.69Å; T739-W745 HydrophobicContact CG2-CZ2 4.26Å; T739-W745 HydrophobicContact CG2-CZ3 4.2Å; T739-W745 WeakPolarHBondContact OG1-CH2 3.34Å; T739-W745 WeakPolarHBondContact OG1-CZ2 3.42Å | ||
| 740 | Q | 65.5 | Low | 77.6 | Confident | 91 Ų | 91 | 65.3 Ų | 65.3 | 43% | 0.425 | 33% | 0.327 | S | S | . | . | trans | -71.7 | 152.5 | 175.3 | -63.1 | -176.8 | 2.1 | 0 | 0 | 110.3 | N742 T743 | Q740-N742 WeakPolarHBondContact CB-OD1 3.37Å; Q740-N742 PolarHBondContact O-N 2.67Å; Q740-N742 VanDerWaalsContact O-N 3.08Å; Q740-N742 PolarHBondContact OE1-OD1 2.81Å; Q740-T743 PolarHBondContact N-OG1 2.78Å; Q740-T743 VanDerWaalsContact O-CB 3.29Å; Q740-T743 WeakPolarHBondContact O-CB 3.45Å; Q740-T743 PolarHBondContact O-N 3.09Å; Q740-T743 PolarHBondContact O-OG1 2.89Å; Q740-T743 VanDerWaalsContact O-OG1 3.04Å | ||
| 741 | S | 60.4 | Low | 77.3 | Confident | 126 Ų | 126 | 68 Ų | 68 | 88% | 0.881 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -10.6 | -176.4 | 51.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 742 | N | 65.3 | Low | 77.1 | Confident | 117 Ų | 117 | 63.9 Ų | 63.9 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -1.4 | 173.6 | 63.1 | -10.7 | 0 | 0 | 0 | 113.5 | Q740 N744 | Q740-N742 WeakPolarHBondContact CB-OD1 3.37Å; Q740-N742 PolarHBondContact O-N 2.67Å; Q740-N742 VanDerWaalsContact O-N 3.08Å; Q740-N742 PolarHBondContact OE1-OD1 2.81Å; N742-N744 PolarHBondContact O-N 3.37Å |
| 743 | T | 71.1 | Confident | 76.9 | Confident | 37 Ų | 37 | 58 Ų | 58 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | trans | -62.2 | 124.3 | -173.2 | -66.2 | 0 | 0 | 0 | 0 | 112 | T739 Q740 W745 L748 | T739-T743 HydrophobicContact CG2-CG2 4.1Å; Q740-T743 PolarHBondContact N-OG1 2.78Å; Q740-T743 VanDerWaalsContact O-CB 3.29Å; Q740-T743 WeakPolarHBondContact O-CB 3.45Å; Q740-T743 PolarHBondContact O-N 3.09Å; Q740-T743 PolarHBondContact O-OG1 2.89Å; Q740-T743 VanDerWaalsContact O-OG1 3.04Å; T743-W745 PolarHBondContact O-N 3.42Å; T743-W745 VanDerWaalsContact O-N 3.09Å; T743-L748 HydrophobicContact CG2-CD1 3.46Å; T743-L748 VanDerWaalsContact CG2-CD1 3.46Å | ||
| 744 | N | 77.3 | Confident | 76.9 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | trans | -78.4 | 90.6 | -177.8 | -174.4 | 6.5 | 0 | 0 | 0 | 111.6 | N742 T746 E747 L748 | N742-N744 PolarHBondContact O-N 3.37Å; N744-T746 PolarHBondContact O-N 3.24Å; N744-T746 VanDerWaalsContact O-N 3.16Å; N744-T746 PolarHBondContact OD1-N 3.32Å; N744-E747 HydrophobicContact CB-CB 4.07Å; N744-E747 PolarHBondContact ND2-OE2 3.13Å; N744-E747 WeakPolarHBondContact O-CB 3.28Å; N744-E747 PolarHBondContact O-N 2.81Å; N744-L748 PolarHBondContact O-N 3.48Å | ||
| 745 | W | 81.5 | Confident | 77 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 12% | 0.121 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.7 | -27.7 | -179.7 | -62.9 | 104.2 | 0 | 0 | 0 | 114.1 | H712 K731 L734 T739 T743 E747 L748 F749 | H712-W745 PolarHBondContact CE1-O 3.28Å; K731-W745 HydrophobicContact CG-CZ2 4.41Å; L734-W745 HydrophobicContact CB-CE3 3.99Å; L734-W745 HydrophobicContact CB-CH2 3.68Å; L734-W745 HydrophobicContact CB-CZ3 3.39Å; L734-W745 HydrophobicContact CD1-CD2 3.53Å; L734-W745 HydrophobicContact CD1-CE3 3.48Å; L734-W745 VanDerWaalsContact CD1-CE3 3.48Å; L734-W745 HydrophobicContact CD1-CG 4.16Å; L734-W745 HydrophobicContact CD1-CH2 3.89Å; L734-W745 HydrophobicContact CD1-CZ2 3.97Å; L734-W745 HydrophobicContact CD1-CZ3 3.67Å; L734-W745 HydrophobicContact CG-CE3 4.35Å; L734-W745 HydrophobicContact CG-CH2 4.41Å; L734-W745 HydrophobicContact CG-CZ3 4.17Å; T739-W745 HydrophobicContact CG2-CH2 3.69Å; T739-W745 HydrophobicContact CG2-CZ2 4.26Å; T739-W745 HydrophobicContact CG2-CZ3 4.2Å; T739-W745 WeakPolarHBondContact OG1-CH2 3.34Å; T739-W745 WeakPolarHBondContact OG1-CZ2 3.42Å; T743-W745 PolarHBondContact O-N 3.42Å; T743-W745 VanDerWaalsContact O-N 3.09Å; W745-E747 PolarHBondContact O-N 2.96Å; W745-L748 HydrophobicContact CE3-CD1 4.18Å; W745-L748 HydrophobicContact CZ3-CD1 4.38Å; W745-L748 PolarHBondContact O-N 2.52Å; W745-F749 HydrophobicContact CE3-CD2 4.35Å; W745-F749 PolarHBondContact O-N 2.95Å |
| 746 | T | 82 | Confident | 77.4 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 41% | 0.405 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.8 | -18.3 | 175.6 | -51.5 | 0 | 0 | 0 | 0 | 112.9 | H712 N744 P750 | H712-T746 PolarHBondContact CD2-OG1 3.02Å; H712-T746 VanDerWaalsContact CD2-OG1 3.25Å; H712-T746 PolarHBondContact NE2-OG1 2.86Å; N744-T746 PolarHBondContact O-N 3.24Å; N744-T746 VanDerWaalsContact O-N 3.16Å; N744-T746 PolarHBondContact OD1-N 3.32Å; T746-P750 WeakPolarHBondContact O-CA 3.22Å |
| 747 | E | 78 | Confident | 78 | Confident | 110 Ų | 110 | 55.4 Ų | 55.4 | 51% | 0.514 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -89.9 | -28.7 | 175.9 | -164.1 | -178.7 | 153.9 | 0 | 0 | 112.9 | N744 W745 R923 | N744-E747 HydrophobicContact CB-CB 4.07Å; N744-E747 PolarHBondContact ND2-OE2 3.13Å; N744-E747 WeakPolarHBondContact O-CB 3.28Å; N744-E747 PolarHBondContact O-N 2.81Å; W745-E747 PolarHBondContact O-N 2.96Å; E747-R923 PolarHBondContact O-NE 2.88Å; E747-R923 PolarHBondContact O-NH2 3.1Å; E747-R923 VanDerWaalsContact O-NH2 3.14Å |
| 748 | L | 78.5 | Confident | 78.7 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 18% | 0.183 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -82.3 | -44.9 | 177.8 | -63.2 | 177.1 | 0 | 0 | 0 | 111.8 | T743 N744 W745 P750 R944 V950 | T743-L748 HydrophobicContact CG2-CD1 3.46Å; T743-L748 VanDerWaalsContact CG2-CD1 3.46Å; N744-L748 PolarHBondContact O-N 3.48Å; W745-L748 HydrophobicContact CE3-CD1 4.18Å; W745-L748 HydrophobicContact CZ3-CD1 4.38Å; W745-L748 PolarHBondContact O-N 2.52Å; L748-P750 WeakPolarHBondContact O-CD 3.48Å; L748-R944 PolarHBondContact O-NH1 3.26Å; L748-V950 HydrophobicContact CD1-CG1 3.87Å; L748-V950 HydrophobicContact CD2-CG1 4.27Å |
| 749 | F | 83.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -121.9 | 70.8 | -179.7 | -71.2 | -75.7 | 0 | 0 | 0 | 110.1 | V709 H712 L734 W745 V755 L773 F947 V950 | V709-F749 HydrophobicContact CG2-CB 4.18Å; H712-F749 PolarHBondContact CE1-O 3.02Å; H712-F749 PolarHBondContact NE2-O 2.78Å; L734-F749 HydrophobicContact CB-CE2 4.26Å; L734-F749 WeakPolarHBondContact O-CE2 3.24Å; L734-F749 WeakPolarHBondContact O-CZ 3.48Å; W745-F749 HydrophobicContact CE3-CD2 4.35Å; W745-F749 PolarHBondContact O-N 2.95Å; F749-V755 HydrophobicContact CD1-CG1 3.85Å; F749-V755 HydrophobicContact CE1-CG1 4.02Å; F749-L773 HydrophobicContact CD1-CD1 4.29Å; F749-L773 HydrophobicContact CE1-CB 4.25Å; F749-L773 HydrophobicContact CE1-CD1 3.99Å; F749-L773 HydrophobicContact CZ-CB 3.98Å; F749-L773 HydrophobicContact CZ-CD1 4.14Å; F749-F947 WeakPolarHBondContact CE1-O 3.47Å; F749-V950 HydrophobicContact CD2-CG2 4.44Å; F749-V950 HydrophobicContact CE1-CG2 4.4Å; F749-V950 HydrophobicContact CE2-CG2 3.54Å; F749-V950 HydrophobicContact CZ-CG2 3.52Å |
| 750 | P | 81.8 | Confident | 81 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | trans | -60.8 | 148.8 | -176.1 | 24.1 | -32.3 | 0 | 0 | 0 | 112.3 | E617 T746 L748 G752 A753 | E617-P750 WeakPolarHBondContact OE2-CB 3.39Å; T746-P750 WeakPolarHBondContact O-CA 3.22Å; L748-P750 WeakPolarHBondContact O-CD 3.48Å; P750-G752 PolarHBondContact O-N 3.08Å; P750-A753 HydrophobicContact CG-CB 4.17Å; P750-A753 VanDerWaalsContact O-CB 3.23Å; P750-A753 WeakPolarHBondContact O-CB 3.5Å; P750-A753 PolarHBondContact O-N 2.81Å | ||
| 751 | V | 84.8 | Confident | 82 | Confident | 74 Ų | 74 | 44 Ų | 44 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 126.3 | 178.5 | 174.7 | 0 | 0 | 0 | 0 | 109.6 | V709 S710 | V709-V751 HydrophobicContact CG1-CG2 4.44Å; S710-V751 VanDerWaalsContact O-CG1 3.28Å; S710-V751 WeakPolarHBondContact O-CG1 3.11Å |
| 752 | G | 81.1 | Confident | 83.3 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 6.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q620 R660 V709 P750 | Q620-G752 PolarHBondContact NE2-O 2.96Å; R660-G752 VanDerWaalsContact CZ-O 3.26Å; R660-G752 PolarHBondContact NH1-O 2.89Å; R660-G752 PolarHBondContact NH2-O 2.86Å; V709-G752 PolarHBondContact O-N 2.64Å; P750-G752 PolarHBondContact O-N 3.08Å |
| 753 | A | 82 | Confident | 84.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | trans | -70.5 | 137.8 | 164 | 0 | 0 | 0 | 0 | 0 | 111.1 | W708 V709 P750 F947 | W708-A753 CarbonylContact C-O 3.52Å; W708-A753 VanDerWaalsContact CA-O 3.24Å; W708-A753 WeakPolarHBondContact CA-O 3.28Å; W708-A753 WeakPolarHBondContact CB-O 3.23Å; V709-A753 HydrophobicContact CG2-CB 4.33Å; V709-A753 PolarHBondContact N-O 3.41Å; P750-A753 HydrophobicContact CG-CB 4.17Å; P750-A753 VanDerWaalsContact O-CB 3.23Å; P750-A753 WeakPolarHBondContact O-CB 3.5Å; P750-A753 PolarHBondContact O-N 2.81Å; A753-F947 HydrophobicContact CB-CD1 3.78Å; A753-F947 HydrophobicContact CB-CD2 4.38Å; A753-F947 HydrophobicContact CB-CE1 4.04Å; A753-F947 HydrophobicContact CB-CG 3.97Å; A753-F947 HydrophobicContact CB-CZ 4.45Å | ||
| 754 | T | 87.7 | Confident | 84.5 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 125.7 | 169.5 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | D615 R660 F706 A707 F947 | D615-T754 WeakPolarHBondContact OD1-CB 3.39Å; D615-T754 PolarHBondContact OD1-OG1 2.91Å; R660-T754 PolarHBondContact NH1-OG1 3.04Å; F706-T754 HydrophobicContact CD1-CG2 4.27Å; A707-T754 CarbonylContact O-C 3.56Å; A707-T754 WeakPolarHBondContact O-CA 3.28Å; A707-T754 WeakPolarHBondContact O-CG2 3.49Å; T754-F947 WeakPolarHBondContact O-CB 3.23Å; T754-F947 WeakPolarHBondContact O-CD2 3.49Å |
| 755 | V | 89.3 | Confident | 84.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 149.1 | 176.3 | -67.8 | 0 | 0 | 0 | 0 | 110.2 | A707 V709 V719 F749 T757 L773 F947 | A707-V755 PolarHBondContact N-O 2.78Å; A707-V755 PolarHBondContact O-N 3.41Å; V709-V755 HydrophobicContact CG2-CG1 4.06Å; V719-V755 HydrophobicContact CG1-CG2 3.7Å; V719-V755 HydrophobicContact CG2-CG2 4.16Å; F749-V755 HydrophobicContact CD1-CG1 3.85Å; F749-V755 HydrophobicContact CE1-CG1 4.02Å; V755-T757 HydrophobicContact CG2-CG2 4.2Å; V755-L773 HydrophobicContact CB-CD2 4.13Å; V755-L773 HydrophobicContact CG2-CD2 3.92Å; V755-F947 HydrophobicContact CG1-CB 4.15Å |
| 756 | I | 89.3 | Confident | 84 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 5% | 0.046 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 144 | 161.4 | -45.7 | 176.2 | 0 | 0 | 0 | 106.5 | P690 F706 I778 Y785 T946 N948 | P690-I756 HydrophobicContact CB-CG2 3.68Å; P690-I756 HydrophobicContact CG-CD1 4.4Å; P690-I756 HydrophobicContact CG-CG2 4.02Å; F706-I756 HydrophobicContact CD1-CG1 4.08Å; F706-I756 HydrophobicContact CE1-CD1 4.19Å; F706-I756 HydrophobicContact CE1-CG1 3.83Å; I756-I778 HydrophobicContact CB-CG2 4.18Å; I756-I778 HydrophobicContact CG2-CG2 3.59Å; I756-I778 WeakPolarHBondContact O-CD1 3.23Å; I756-Y785 HydrophobicContact CD1-CE1 4.03Å; I756-T946 HydrophobicContact CD1-CG2 4.01Å; I756-N948 PolarHBondContact N-OD1 3.48Å; I756-N948 PolarHBondContact O-ND2 3.17Å; I756-N948 PolarHBondContact O-OD1 2.83Å |
| 757 | T | 90.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 154.4 | 177.5 | 67.3 | 0 | 0 | 0 | 0 | 109.8 | Q704 W705 A707 V719 F721 V755 I771 L773 | Q704-T757 VanDerWaalsContact CA-O 3.24Å; Q704-T757 WeakPolarHBondContact CA-O 3.39Å; W705-T757 PolarHBondContact N-O 3.13Å; W705-T757 VanDerWaalsContact N-O 3.14Å; W705-T757 PolarHBondContact O-N 3.33Å; W705-T757 PolarHBondContact O-OG1 3.35Å; A707-T757 HydrophobicContact CB-CG2 3.98Å; V719-T757 HydrophobicContact CG1-CG2 3.9Å; F721-T757 HydrophobicContact CE1-CG2 4.03Å; F721-T757 VanDerWaalsContact CE1-OG1 3.23Å; F721-T757 WeakPolarHBondContact CE1-OG1 3.34Å; F721-T757 HydrophobicContact CZ-CG2 3.84Å; F721-T757 WeakPolarHBondContact CZ-OG1 3.17Å; V755-T757 HydrophobicContact CG2-CG2 4.2Å; T757-I771 HydrophobicContact CG2-CD1 3.89Å; T757-L773 HydrophobicContact CG2-CD2 3.86Å |
| 758 | K | 90 | Very high | 83.6 | Confident | 58 Ų | 58 | 48 Ų | 48 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.4 | 161.4 | -178.6 | -173.3 | -164.7 | 168.2 | 0 | 108.8 | S703 I771 S772 D777 I778 | S703-K758 WeakPolarHBondContact O-CA 3.2Å; K758-I771 CarbonylContact O-C 3.57Å; K758-I771 VanDerWaalsContact O-CA 3.29Å; K758-I771 WeakPolarHBondContact O-CA 3.32Å; K758-S772 PolarHBondContact N-O 2.57Å; K758-S772 PolarHBondContact O-N 3.05Å; K758-D777 HydrophobicContact CD-CB 3.87Å; K758-D777 WeakPolarHBondContact CD-O 3.46Å; K758-D777 PolarHBondContact NZ-O 3.37Å; K758-I778 HydrophobicContact CB-CG1 4.1Å |
| 759 | I | 90.4 | Very high | 84 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 129.2 | 176.7 | -50.6 | -49.8 | 0 | 0 | 0 | 109.3 | L699 Q700 G702 S703 F721 V762 I771 | L699-I759 HydrophobicContact CD2-CD1 3.69Å; L699-I759 HydrophobicContact CD2-CG1 3.98Å; Q700-I759 WeakPolarHBondContact O-CB 3.33Å; G702-I759 PolarHBondContact N-O 3.03Å; S703-I759 PolarHBondContact O-N 2.96Å; S703-I759 WeakPolarHBondContact OG-CG1 3.4Å; F721-I759 HydrophobicContact CZ-CD1 4.25Å; I759-V762 HydrophobicContact CG2-CG2 3.34Å; I759-I771 HydrophobicContact CD1-CG2 3.7Å |
| 760 | V | 90 | Very high | 84.3 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 38% | 0.382 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -43.2 | 179.6 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | V701 L733 L770 | V701-V760 WeakPolarHBondContact CG1-O 3.47Å; L733-V760 HydrophobicContact CD1-CB 4.48Å; L733-V760 HydrophobicContact CD1-CG1 4.4Å; L733-V760 HydrophobicContact CD1-CG2 4.1Å; V760-L770 PolarHBondContact N-O 3.22Å |
| 761 | E | 88.2 | Confident | 84.9 | Confident | 88 Ų | 88 | 48.7 Ų | 48.7 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 149.1 | 175.5 | -160.3 | -153.8 | 118.9 | 0 | 0 | 109.5 | T763 C769 L770 | E761-T763 PolarHBondContact OE1-OG1 3.42Å; E761-C769 CarbonylContact O-C 3.5Å; E761-C769 VanDerWaalsContact O-CA 3.24Å; E761-C769 WeakPolarHBondContact O-CA 3.49Å; E761-C769 VanDerWaalsContact O-CB 3.3Å; E761-C769 WeakPolarHBondContact O-CB 3.49Å; E761-L770 HydrophobicContact CB-CB 3.91Å; E761-L770 HydrophobicContact CB-CD1 4.28Å; E761-L770 HydrophobicContact CB-CG 4.27Å; E761-L770 PolarHBondContact N-O 2.95Å; E761-L770 VanDerWaalsContact N-O 3.13Å; E761-L770 PolarHBondContact O-N 3.01Å; E761-L770 WeakPolarHBondContact OE2-CD1 3.48Å |
| 762 | V | 86.2 | Confident | 85.2 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 120.5 | 174.3 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | F696 L699 V701 I759 P764 C769 | F696-V762 HydrophobicContact CE1-CG1 3.45Å; F696-V762 VanDerWaalsContact CE1-CG1 3.45Å; F696-V762 HydrophobicContact CZ-CG1 3.58Å; L699-V762 HydrophobicContact CB-CG1 4.31Å; L699-V762 HydrophobicContact CB-CG2 4.04Å; V701-V762 HydrophobicContact CG2-CG2 4.45Å; I759-V762 HydrophobicContact CG2-CG2 3.34Å; V762-P764 WeakPolarHBondContact O-CD 3.45Å; V762-C769 HydrophobicContact CG2-CB 4.46Å |
| 763 | T | 83.5 | Confident | 85.6 | Confident | 32 Ų | 32 | 45 Ų | 45 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 83.5 | 178.3 | -28 | 0 | 0 | 0 | 0 | 108.7 | E761 E765 K766 C767 H768 | E761-T763 PolarHBondContact OE1-OG1 3.42Å; T763-E765 VanDerWaalsContact C-N 3.33Å; T763-E765 PolarHBondContact O-N 3.2Å; T763-K766 HydrophobicContact CG2-CD 4.05Å; T763-K766 PolarHBondContact O-N 3.03Å; T763-K766 VanDerWaalsContact O-N 3.11Å; T763-C767 PolarHBondContact O-N 3.2Å; T763-H768 PolarHBondContact N-O 3.07Å; T763-H768 PolarHBondContact O-N 3.09Å |
| 764 | P | 78.4 | Confident | 85.9 | Confident | 86 Ų | 86 | 47.3 Ų | 47.3 | 56% | 0.558 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -61.6 | -36.8 | -168 | 23.1 | -33.9 | 0 | 0 | 0 | 113.6 | F696 V762 K766 C767 | F696-P764 HydrophobicContact CE1-CB 4.16Å; V762-P764 WeakPolarHBondContact O-CD 3.45Å; P764-K766 PolarHBondContact O-N 3.36Å; P764-C767 PolarHBondContact O-N 2.85Å; P764-C767 VanDerWaalsContact O-N 3.08Å |
| 765 | E | 75.2 | Confident | 85.6 | Confident | 177 Ų | 177 | 47 Ų | 47 | 83% | 0.827 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -54 | -27.3 | 176.7 | -57.5 | -177.4 | 157 | 0 | 0 | 114.5 | T763 | T763-E765 VanDerWaalsContact C-N 3.33Å; T763-E765 PolarHBondContact O-N 3.2Å |
| 766 | K | 72.3 | Confident | 85.1 | Confident | 129 Ų | 129 | 51.7 Ų | 51.7 | 56% | 0.561 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -110.7 | -1.6 | -174.6 | -62.8 | 169.2 | -168.3 | 159.5 | 0 | 112 | T763 P764 H768 | T763-K766 HydrophobicContact CG2-CD 4.05Å; T763-K766 PolarHBondContact O-N 3.03Å; T763-K766 VanDerWaalsContact O-N 3.11Å; P764-K766 PolarHBondContact O-N 3.36Å; K766-H768 HydrophobicContact CB-CB 4.22Å; K766-H768 PolarHBondContact O-CD2 2.87Å; K766-H768 PolarHBondContact O-N 3.48Å |
| 767 | C | 72.2 | Confident | 84.7 | Confident | 82 Ų | 82 | 53.9 Ų | 53.9 | 55% | 0.554 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 36.1 | -166.8 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | F696 T763 P764 | F696-C767 HydrophobicContact CD2-CB 4.36Å; F696-C767 HydrophobicContact CE2-CB 4.19Å; F696-C767 WeakPolarHBondContact CE2-O 3.39Å; T763-C767 PolarHBondContact O-N 3.2Å; P764-C767 PolarHBondContact O-N 2.85Å; P764-C767 VanDerWaalsContact O-N 3.08Å |
| 768 | H | 79.7 | Confident | 83.9 | Confident | 116 Ų | 116 | 54 Ų | 54 | 54% | 0.537 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 149.3 | -180 | -73.1 | -176 | 0 | 0 | 0 | 110.5 | T763 K766 | T763-H768 PolarHBondContact N-O 3.07Å; T763-H768 PolarHBondContact O-N 3.09Å; K766-H768 HydrophobicContact CB-CB 4.22Å; K766-H768 PolarHBondContact O-CD2 2.87Å; K766-H768 PolarHBondContact O-N 3.48Å |
| 769 | C | 87.2 | Confident | 82.9 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 144.3 | 166.2 | 59.1 | 0 | 0 | 0 | 0 | 111.7 | L699 G727 L728 E761 V762 | L699-C769 HydrophobicContact CD1-CB 4.42Å; G727-C769 WeakPolarHBondContact CA-O 3.3Å; G727-C769 VanDerWaalsContact CA-SG 3.53Å; L728-C769 PolarHBondContact N-O 3.49Å; E761-C769 CarbonylContact O-C 3.5Å; E761-C769 VanDerWaalsContact O-CA 3.24Å; E761-C769 WeakPolarHBondContact O-CA 3.49Å; E761-C769 VanDerWaalsContact O-CB 3.3Å; E761-C769 WeakPolarHBondContact O-CB 3.49Å; V762-C769 HydrophobicContact CG2-CB 4.46Å |
| 770 | L | 91.1 | Very high | 81.7 | Confident | 51 Ų | 51 | 57.5 Ų | 57.5 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.9 | 166.2 | -65.6 | -178.2 | 0 | 0 | 0 | 109 | L728 P730 V760 E761 | L728-L770 HydrophobicContact CB-CD2 4.12Å; L728-L770 HydrophobicContact CD2-CD2 4.18Å; L728-L770 HydrophobicContact CG-CD2 4.24Å; L728-L770 WeakPolarHBondContact O-CA 3.36Å; P730-L770 HydrophobicContact CG-CD2 4.14Å; V760-L770 PolarHBondContact N-O 3.22Å; E761-L770 HydrophobicContact CB-CB 3.91Å; E761-L770 HydrophobicContact CB-CD1 4.28Å; E761-L770 HydrophobicContact CB-CG 4.27Å; E761-L770 PolarHBondContact N-O 2.95Å; E761-L770 VanDerWaalsContact N-O 3.13Å; E761-L770 PolarHBondContact O-N 3.01Å; E761-L770 WeakPolarHBondContact OE2-CD1 3.48Å |
| 771 | I | 93 | Very high | 80.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 152.3 | -173.1 | 54.7 | 157.4 | 0 | 0 | 0 | 111.5 | V719 F721 L728 A729 T757 K758 I759 L773 | V719-I771 HydrophobicContact CB-CD1 3.63Å; V719-I771 HydrophobicContact CG1-CD1 4.19Å; V719-I771 HydrophobicContact CG2-CD1 3.79Å; F721-I771 HydrophobicContact CE2-CG2 4.46Å; F721-I771 HydrophobicContact CZ-CD1 4.47Å; F721-I771 HydrophobicContact CZ-CG2 4.08Å; L728-I771 VanDerWaalsContact C-CG1 3.46Å; L728-I771 VanDerWaalsContact O-CG1 3.26Å; L728-I771 WeakPolarHBondContact O-CG1 3.33Å; L728-I771 PolarHBondContact O-N 2.87Å; A729-I771 WeakPolarHBondContact CA-O 3.43Å; A729-I771 HydrophobicContact CB-CD1 4.19Å; A729-I771 HydrophobicContact CB-CG1 3.99Å; T757-I771 HydrophobicContact CG2-CD1 3.89Å; K758-I771 CarbonylContact O-C 3.57Å; K758-I771 VanDerWaalsContact O-CA 3.29Å; K758-I771 WeakPolarHBondContact O-CA 3.32Å; I759-I771 HydrophobicContact CD1-CG2 3.7Å; I771-L773 HydrophobicContact CD1-CD2 4.31Å |
| 772 | S | 91.4 | Very high | 78.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138 | 169.9 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | L733 K758 K774 D777 | L733-S772 PolarHBondContact O-OG 3.29Å; K758-S772 PolarHBondContact N-O 2.57Å; K758-S772 PolarHBondContact O-N 3.05Å; S772-K774 WeakPolarHBondContact OG-CB 3.46Å; S772-K774 PolarHBondContact OG-N 3.36Å; S772-D777 VanDerWaalsContact CB-OD2 3.25Å; S772-D777 WeakPolarHBondContact CB-OD2 3.48Å; S772-D777 PolarHBondContact OG-OD2 3.49Å |
| 773 | L | 90.6 | Very high | 77.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -108.2 | -2.3 | 170.8 | -58.3 | -176 | 0 | 0 | 0 | 112.2 | V719 A729 L733 L734 F749 V755 T757 I771 M775 N948 | V719-L773 HydrophobicContact CG2-CD1 4.14Å; V719-L773 HydrophobicContact CG2-CD2 4.37Å; A729-L773 HydrophobicContact CB-CD1 3.92Å; A729-L773 HydrophobicContact CB-CG 3.84Å; L733-L773 PolarHBondContact O-N 3.39Å; L734-L773 HydrophobicContact CD2-CD1 3.89Å; F749-L773 HydrophobicContact CD1-CD1 4.29Å; F749-L773 HydrophobicContact CE1-CB 4.25Å; F749-L773 HydrophobicContact CE1-CD1 3.99Å; F749-L773 HydrophobicContact CZ-CB 3.98Å; F749-L773 HydrophobicContact CZ-CD1 4.14Å; V755-L773 HydrophobicContact CB-CD2 4.13Å; V755-L773 HydrophobicContact CG2-CD2 3.92Å; T757-L773 HydrophobicContact CG2-CD2 3.86Å; I771-L773 HydrophobicContact CD1-CD2 4.31Å; L773-M775 PolarHBondContact O-N 3.47Å; L773-N948 WeakPolarHBondContact O-CB 3.42Å; L773-N948 PolarHBondContact O-ND2 3.02Å | ||
| 774 | K | 87.9 | Confident | 76.5 | Confident | 50 Ų | 50 | 65 Ų | 65 | 22% | 0.217 | 32% | 0.321 | C | S | . | . | trans | -49.2 | 130.1 | 174.4 | -81.9 | 170.1 | 170.5 | 169.2 | 0 | 111.4 | H732 L733 S735 D736 S772 F776 D777 I778 | H732-K774 WeakPolarHBondContact O-CE 3.3Å; H732-K774 PolarHBondContact O-NZ 2.99Å; L733-K774 HydrophobicContact CD2-CD 4.4Å; L733-K774 PolarHBondContact O-N 2.94Å; S735-K774 WeakPolarHBondContact O-CE 3.37Å; D736-K774 VanDerWaalsContact OD1-C 3.31Å; D736-K774 WeakPolarHBondContact OD1-CA 3.33Å; D736-K774 VanDerWaalsContact OD1-CB 3.23Å; D736-K774 WeakPolarHBondContact OD1-CB 3.43Å; S772-K774 WeakPolarHBondContact OG-CB 3.46Å; S772-K774 PolarHBondContact OG-N 3.36Å; K774-F776 PolarHBondContact O-N 3.22Å; K774-D777 HydrophobicContact CB-CB 3.89Å; K774-D777 WeakPolarHBondContact CB-OD2 3.44Å; K774-D777 VanDerWaalsContact CD-OD2 3.22Å; K774-D777 WeakPolarHBondContact CD-OD2 3.29Å; K774-D777 PolarHBondContact O-N 2.68Å; K774-I778 WeakPolarHBondContact O-CD1 3.28Å; K774-I778 VanDerWaalsContact O-CG1 3.26Å; K774-I778 WeakPolarHBondContact O-CG1 3.42Å | ||
| 775 | M | 82.1 | Confident | 76 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 179.5 | -171.3 | 61.6 | 173.7 | 0 | 0 | 111 | D736 L773 D777 I778 Y779 Y785 R945 N948 D949 | D736-M775 PolarHBondContact OD1-N 3.28Å; D736-M775 WeakPolarHBondContact OD2-CB 3.27Å; L773-M775 PolarHBondContact O-N 3.47Å; M775-D777 VanDerWaalsContact C-N 3.34Å; M775-D777 PolarHBondContact O-N 3.43Å; M775-I778 PolarHBondContact O-N 2.86Å; M775-Y779 HydrophobicContact CE-CD2 4Å; M775-Y779 WeakPolarHBondContact O-CA 3.46Å; M775-Y779 WeakPolarHBondContact O-CB 3.41Å; M775-Y779 PolarHBondContact O-N 3.35Å; M775-Y785 HydrophobicContact CE-CD1 3.64Å; M775-Y785 HydrophobicContact CE-CE1 3.65Å; M775-Y785 HydrophobicContact SD-CE1 4.15Å; M775-R945 HydrophobicContact CE-CB 3.65Å; M775-R945 HydrophobicContact CE-CG 4.33Å; M775-N948 HydrophobicContact SD-CB 3.96Å; M775-D949 HydrophobicContact CE-CB 4.11Å; M775-D949 HydrophobicContact CG-CB 4.22Å; M775-D949 HydrophobicContact SD-CB 4.09Å |
| 776 | F | 79 | Confident | 75.9 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.6 | -31.8 | 175.2 | -77.6 | -47.1 | 0 | 0 | 0 | 114.3 | D736 K774 I778 | D736-F776 HydrophobicContact CB-CD2 3.54Å; D736-F776 HydrophobicContact CB-CE2 3.98Å; D736-F776 HydrophobicContact CB-CG 4.41Å; D736-F776 VanDerWaalsContact CG-N 3.33Å; D736-F776 PolarHBondContact OD1-N 2.76Å; D736-F776 WeakPolarHBondContact OD2-CD2 3.35Å; D736-F776 PolarHBondContact OD2-N 3.49Å; D736-F776 VanDerWaalsContact OD2-N 3.12Å; K774-F776 PolarHBondContact O-N 3.22Å; F776-I778 PolarHBondContact O-N 3.02Å |
| 777 | D | 79.4 | Confident | 76.1 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 29% | 0.289 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.5 | -27.4 | -179.1 | -80.2 | -17.9 | 0 | 0 | 0 | 112.3 | K758 S772 K774 M775 | K758-D777 HydrophobicContact CD-CB 3.87Å; K758-D777 WeakPolarHBondContact CD-O 3.46Å; K758-D777 PolarHBondContact NZ-O 3.37Å; S772-D777 VanDerWaalsContact CB-OD2 3.25Å; S772-D777 WeakPolarHBondContact CB-OD2 3.48Å; S772-D777 PolarHBondContact OG-OD2 3.49Å; K774-D777 HydrophobicContact CB-CB 3.89Å; K774-D777 WeakPolarHBondContact CB-OD2 3.44Å; K774-D777 VanDerWaalsContact CD-OD2 3.22Å; K774-D777 WeakPolarHBondContact CD-OD2 3.29Å; K774-D777 PolarHBondContact O-N 2.68Å; M775-D777 VanDerWaalsContact C-N 3.34Å; M775-D777 PolarHBondContact O-N 3.43Å |
| 778 | I | 75.1 | Confident | 76.3 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -111.9 | -28.5 | -169.3 | -38.1 | 162.3 | 0 | 0 | 0 | 111.7 | Q704 I756 K758 K774 M775 F776 N780 Y785 N948 | Q704-I778 VanDerWaalsContact CD-CG2 3.42Å; Q704-I778 HydrophobicContact CG-CG2 4.08Å; Q704-I778 PolarHBondContact NE2-O 2.88Å; Q704-I778 VanDerWaalsContact NE2-O 3.14Å; I756-I778 HydrophobicContact CB-CG2 4.18Å; I756-I778 HydrophobicContact CG2-CG2 3.59Å; I756-I778 WeakPolarHBondContact O-CD1 3.23Å; K758-I778 HydrophobicContact CB-CG1 4.1Å; K774-I778 WeakPolarHBondContact O-CD1 3.28Å; K774-I778 VanDerWaalsContact O-CG1 3.26Å; K774-I778 WeakPolarHBondContact O-CG1 3.42Å; M775-I778 PolarHBondContact O-N 2.86Å; F776-I778 PolarHBondContact O-N 3.02Å; I778-N780 PolarHBondContact O-N 2.85Å; I778-Y785 WeakPolarHBondContact CB-OH 3.42Å; I778-Y785 WeakPolarHBondContact CG2-OH 3.45Å; I778-Y785 VanDerWaalsContact O-CE2 3.3Å; I778-Y785 WeakPolarHBondContact O-CE2 3.11Å; I778-Y785 PolarHBondContact O-OH 2.87Å; I778-Y785 VanDerWaalsContact O-OH 3.11Å; I778-N948 WeakPolarHBondContact CD1-ND2 3.47Å |
| 779 | Y | 69 | Low | 76.3 | Confident | 56 Ų | 56 | 41.3 Ų | 41.3 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | trans | -68.1 | 116.6 | -174.3 | 175.5 | -111.1 | 0 | 0 | 0 | 113.4 | M775 A781 Y785 R945 | M775-Y779 HydrophobicContact CE-CD2 4Å; M775-Y779 WeakPolarHBondContact O-CA 3.46Å; M775-Y779 WeakPolarHBondContact O-CB 3.41Å; M775-Y779 PolarHBondContact O-N 3.35Å; Y779-A781 HydrophobicContact CE1-CB 3.9Å; Y779-Y785 AromaticContact CD2-CD1 3.83Å; Y779-Y785 HydrophobicContact CD2-CD1 3.83Å; Y779-Y785 AromaticContact CD2-CD2 3.91Å; Y779-Y785 HydrophobicContact CD2-CD2 3.91Å; Y779-Y785 HydrophobicContact CD2-CE1 4.4Å; Y779-Y785 HydrophobicContact CD2-CE2 4.5Å; Y779-Y785 AromaticContact CD2-CG 3.53Å; Y779-Y785 HydrophobicContact CD2-CG 3.53Å; Y779-Y785 HydrophobicContact CE2-CD1 4.48Å; Y779-Y785 AromaticContact CE2-CG 3.99Å; Y779-Y785 HydrophobicContact CE2-CG 3.99Å; Y779-R945 PolarHBondContact OH-NH2 2.99Å | ||
| 780 | N | 63.4 | Low | 76.2 | Confident | 79 Ų | 79 | 41.7 Ų | 41.7 | 42% | 0.422 | 22% | 0.218 | S | C | . | . | trans | -109.7 | 120.5 | 167.2 | -174 | -12.6 | 0 | 0 | 0 | 109.5 | I778 K782 Y785 | I778-N780 PolarHBondContact O-N 2.85Å; N780-K782 VanDerWaalsContact C-N 3.28Å; N780-K782 PolarHBondContact O-N 2.86Å; N780-K782 PolarHBondContact OD1-N 3.38Å; N780-Y785 WeakPolarHBondContact O-CD2 3.49Å | ||
| 781 | A | 56.2 | Low | 75.8 | Confident | 39 Ų | 39 | 42.3 Ų | 42.3 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -14.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y779 E783 | Y779-A781 HydrophobicContact CE1-CB 3.9Å; A781-E783 PolarHBondContact O-N 3.36Å |
| 782 | K | 57.6 | Low | 75.2 | Confident | 173 Ų | 173 | 43.6 Ų | 43.6 | 75% | 0.752 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 69.9 | -176.7 | -66.9 | -176.4 | 174.7 | -176.1 | 0 | 112.8 | N780 Y784 | N780-K782 VanDerWaalsContact C-N 3.28Å; N780-K782 PolarHBondContact O-N 2.86Å; N780-K782 PolarHBondContact OD1-N 3.38Å; K782-Y784 PolarHBondContact O-N 3.11Å |
| 783 | E | 60.5 | Low | 75 | Confident | 101 Ų | 101 | 43.6 Ų | 43.6 | 47% | 0.472 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | -30.2 | 178.6 | -57.9 | -158.9 | 134 | 0 | 0 | 118 | A781 Y785 V786 G787 K910 | A781-E783 PolarHBondContact O-N 3.36Å; E783-Y785 PolarHBondContact O-N 3.43Å; E783-V786 WeakPolarHBondContact O-CB 3.43Å; E783-V786 PolarHBondContact O-N 2.91Å; E783-G787 PolarHBondContact O-N 2.89Å; E783-K910 WeakPolarHBondContact OE1-CE 3.2Å; E783-K910 IonicContact OE1-NZ 2.99Å; E783-K910 PolarHBondContact OE1-NZ 3.5Å |
| 784 | Y | 64.5 | Low | 74.8 | Confident | 62 Ų | 62 | 46 Ų | 46 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -52.3 | -49.7 | -174.3 | 179.6 | -100.4 | 0 | 0 | 0 | 113.7 | R689 P690 K782 V786 G787 G788 | R689-Y784 HydrophobicContact CB-CE2 4.18Å; R689-Y784 HydrophobicContact CG-CD2 3.88Å; R689-Y784 HydrophobicContact CG-CE2 3.82Å; P690-Y784 VanDerWaalsContact CD-CE1 3.48Å; P690-Y784 WeakPolarHBondContact CD-OH 3.37Å; P690-Y784 HydrophobicContact CG-CE1 3.84Å; P690-Y784 WeakPolarHBondContact CG-OH 3.2Å; K782-Y784 PolarHBondContact O-N 3.11Å; Y784-V786 VanDerWaalsContact C-N 3.29Å; Y784-V786 PolarHBondContact O-N 2.89Å; Y784-G787 PolarHBondContact O-N 3.35Å; Y784-G788 PolarHBondContact O-N 3.5Å |
| 785 | Y | 68.6 | Low | 74.7 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.9 | -26.5 | 179.4 | -90.9 | -93.7 | 0 | 0 | 0 | 114.1 | I756 M775 I778 Y779 N780 E783 A789 T946 | I756-Y785 HydrophobicContact CD1-CE1 4.03Å; M775-Y785 HydrophobicContact CE-CD1 3.64Å; M775-Y785 HydrophobicContact CE-CE1 3.65Å; M775-Y785 HydrophobicContact SD-CE1 4.15Å; I778-Y785 WeakPolarHBondContact CB-OH 3.42Å; I778-Y785 WeakPolarHBondContact CG2-OH 3.45Å; I778-Y785 VanDerWaalsContact O-CE2 3.3Å; I778-Y785 WeakPolarHBondContact O-CE2 3.11Å; I778-Y785 PolarHBondContact O-OH 2.87Å; I778-Y785 VanDerWaalsContact O-OH 3.11Å; Y779-Y785 AromaticContact CD2-CD1 3.83Å; Y779-Y785 HydrophobicContact CD2-CD1 3.83Å; Y779-Y785 AromaticContact CD2-CD2 3.91Å; Y779-Y785 HydrophobicContact CD2-CD2 3.91Å; Y779-Y785 HydrophobicContact CD2-CE1 4.4Å; Y779-Y785 HydrophobicContact CD2-CE2 4.5Å; Y779-Y785 AromaticContact CD2-CG 3.53Å; Y779-Y785 HydrophobicContact CD2-CG 3.53Å; Y779-Y785 HydrophobicContact CE2-CD1 4.48Å; Y779-Y785 AromaticContact CE2-CG 3.99Å; Y779-Y785 HydrophobicContact CE2-CG 3.99Å; N780-Y785 WeakPolarHBondContact O-CD2 3.49Å; E783-Y785 PolarHBondContact O-N 3.43Å; Y785-A789 VanDerWaalsContact O-CB 3.27Å; Y785-A789 WeakPolarHBondContact O-CB 3.41Å; Y785-A789 PolarHBondContact O-N 3.25Å; Y785-A789 VanDerWaalsContact O-N 3.12Å; Y785-T946 HydrophobicContact CD1-CG2 4.07Å; Y785-T946 HydrophobicContact CE1-CG2 3.89Å |
| 786 | V | 74.1 | Confident | 75 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.5 | -43 | 175.2 | 169.8 | 0 | 0 | 0 | 0 | 110 | E783 Y784 I790 R967 T983 Y987 | E783-V786 WeakPolarHBondContact O-CB 3.43Å; E783-V786 PolarHBondContact O-N 2.91Å; Y784-V786 VanDerWaalsContact C-N 3.29Å; Y784-V786 PolarHBondContact O-N 2.89Å; V786-I790 WeakPolarHBondContact O-CG1 3.29Å; V786-I790 PolarHBondContact O-N 2.77Å; V786-R967 VanDerWaalsContact CG1-CZ 3.45Å; V786-T983 HydrophobicContact CG1-CG2 4.07Å; V786-Y987 WeakPolarHBondContact CG2-O 3.36Å |
| 787 | G | 75.2 | Confident | 75.4 | Confident | 38 Ų | 38 | 42.4 Ų | 42.4 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -52.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E783 Y784 A789 I790 Q791 | E783-G787 PolarHBondContact O-N 2.89Å; Y784-G787 PolarHBondContact O-N 3.35Å; G787-A789 VanDerWaalsContact C-N 3.34Å; G787-A789 PolarHBondContact O-N 3.08Å; G787-I790 PolarHBondContact O-N 3.12Å; G787-Q791 VanDerWaalsContact O-CB 3.3Å; G787-Q791 WeakPolarHBondContact O-CB 3.44Å; G787-Q791 PolarHBondContact O-N 3.1Å |
| 788 | G | 76.8 | Confident | 75.8 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.3 | -41 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y784 Q791 S792 | Y784-G788 PolarHBondContact O-N 3.5Å; G788-Q791 PolarHBondContact O-N 3.28Å; G788-S792 WeakPolarHBondContact O-CB 3.4Å; G788-S792 PolarHBondContact O-N 2.98Å |
| 789 | A | 79.1 | Confident | 76.4 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -47.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y785 G787 S792 I793 P942 R945 | Y785-A789 VanDerWaalsContact O-CB 3.27Å; Y785-A789 WeakPolarHBondContact O-CB 3.41Å; Y785-A789 PolarHBondContact O-N 3.25Å; Y785-A789 VanDerWaalsContact O-N 3.12Å; G787-A789 VanDerWaalsContact C-N 3.34Å; G787-A789 PolarHBondContact O-N 3.08Å; A789-S792 PolarHBondContact O-N 3.4Å; A789-I793 WeakPolarHBondContact O-CG1 3.31Å; A789-I793 PolarHBondContact O-N 3.06Å; A789-P942 HydrophobicContact CB-CG 4.12Å; A789-R945 WeakPolarHBondContact CB-O 3.45Å |
| 790 | I | 85.3 | Confident | 77.2 | Confident | 13 Ų | 13 | 39.5 Ų | 39.5 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 177.1 | -67.4 | -66.5 | 0 | 0 | 0 | 111.5 | V786 G787 S792 I793 N794 R967 L981 T983 | V786-I790 WeakPolarHBondContact O-CG1 3.29Å; V786-I790 PolarHBondContact O-N 2.77Å; G787-I790 PolarHBondContact O-N 3.12Å; I790-S792 VanDerWaalsContact C-N 3.32Å; I790-S792 PolarHBondContact O-N 3.19Å; I790-I793 HydrophobicContact CD1-CD1 4Å; I790-I793 PolarHBondContact O-N 2.6Å; I790-N794 PolarHBondContact O-N 2.98Å; I790-R967 HydrophobicContact CD1-CB 3.78Å; I790-R967 HydrophobicContact CD1-CG 3.84Å; I790-R967 HydrophobicContact CG1-CB 3.92Å; I790-R967 HydrophobicContact CG1-CG 3.97Å; I790-L981 HydrophobicContact CD1-CB 4.21Å; I790-L981 HydrophobicContact CG2-CB 4.46Å; I790-L981 HydrophobicContact CG2-CD1 4.21Å; I790-T983 HydrophobicContact CD1-CG2 4.09Å; I790-T983 HydrophobicContact CG1-CG2 4.22Å |
| 791 | Q | 82.4 | Confident | 78.3 | Confident | 64 Ų | 64 | 36.3 Ų | 36.3 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.6 | -37.6 | 177.1 | -173.8 | 168.6 | 8.9 | 0 | 0 | 111.8 | Q665 G787 G788 N794 Y795 | Q665-Q791 VanDerWaalsContact OE1-CD 3.32Å; G787-Q791 VanDerWaalsContact O-CB 3.3Å; G787-Q791 WeakPolarHBondContact O-CB 3.44Å; G787-Q791 PolarHBondContact O-N 3.1Å; G788-Q791 PolarHBondContact O-N 3.28Å; Q791-N794 WeakPolarHBondContact O-CB 3.4Å; Q791-N794 PolarHBondContact O-N 2.93Å; Q791-Y795 HydrophobicContact CG-CD2 4.2Å; Q791-Y795 HydrophobicContact CG-CE2 3.57Å; Q791-Y795 PolarHBondContact NE2-OH 3.23Å; Q791-Y795 VanDerWaalsContact O-CD2 3.26Å; Q791-Y795 WeakPolarHBondContact O-CD2 3.49Å; Q791-Y795 PolarHBondContact O-N 3.44Å |
| 792 | S | 81.4 | Confident | 79.7 | Confident | 27 Ų | 27 | 35.5 Ų | 35.5 | 19% | 0.189 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.4 | -38.4 | 175.8 | -159.4 | 0 | 0 | 0 | 0 | 113 | Y616 G788 A789 I790 N794 Y795 Y796 | Y616-S792 PolarHBondContact OH-O 3.22Å; Y616-S792 PolarHBondContact OH-OG 3.06Å; G788-S792 WeakPolarHBondContact O-CB 3.4Å; G788-S792 PolarHBondContact O-N 2.98Å; A789-S792 PolarHBondContact O-N 3.4Å; I790-S792 VanDerWaalsContact C-N 3.32Å; I790-S792 PolarHBondContact O-N 3.19Å; S792-N794 VanDerWaalsContact C-N 3.33Å; S792-Y795 PolarHBondContact O-N 3.02Å; S792-Y796 PolarHBondContact O-N 3.47Å |
| 793 | I | 86.7 | Confident | 81 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 170.8 | -55.3 | 160.6 | 0 | 0 | 0 | 110.5 | A789 I790 Y795 Y796 L797 I925 V940 P942 L981 | A789-I793 WeakPolarHBondContact O-CG1 3.31Å; A789-I793 PolarHBondContact O-N 3.06Å; I790-I793 HydrophobicContact CD1-CD1 4Å; I790-I793 PolarHBondContact O-N 2.6Å; I793-Y795 VanDerWaalsContact C-N 3.31Å; I793-Y795 PolarHBondContact O-N 2.92Å; I793-Y796 WeakPolarHBondContact O-CB 3.28Å; I793-Y796 PolarHBondContact O-N 3.5Å; I793-Y796 VanDerWaalsContact O-N 3.12Å; I793-L797 HydrophobicContact CG2-CD1 3.79Å; I793-L797 HydrophobicContact CG2-CG 4.05Å; I793-L797 WeakPolarHBondContact O-CG 3.45Å; I793-L797 PolarHBondContact O-N 3.14Å; I793-I925 HydrophobicContact CG2-CG2 4.23Å; I793-V940 HydrophobicContact CG2-CG1 3.84Å; I793-P942 HydrophobicContact CD1-CB 3.83Å; I793-P942 HydrophobicContact CD1-CG 3.72Å; I793-P942 HydrophobicContact CG1-CB 3.67Å; I793-P942 HydrophobicContact CG1-CG 4.12Å; I793-L981 HydrophobicContact CG2-CD2 3.9Å |
| 794 | N | 87.6 | Confident | 82.2 | Confident | 51 Ų | 51 | 22.6 Ų | 22.6 | 27% | 0.273 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -60.6 | -43.1 | -177.9 | -163.8 | -4.6 | 0 | 0 | 0 | 110.7 | I790 Q791 S792 T798 F970 L981 | I790-N794 PolarHBondContact O-N 2.98Å; Q791-N794 WeakPolarHBondContact O-CB 3.4Å; Q791-N794 PolarHBondContact O-N 2.93Å; S792-N794 VanDerWaalsContact C-N 3.33Å; N794-T798 VanDerWaalsContact O-CB 3.27Å; N794-T798 WeakPolarHBondContact O-CB 3.47Å; N794-T798 PolarHBondContact O-N 3.06Å; N794-T798 PolarHBondContact O-OG1 3.21Å; N794-F970 WeakPolarHBondContact OD1-CD2 3.39Å; N794-F970 VanDerWaalsContact OD1-CE2 3.32Å; N794-F970 WeakPolarHBondContact OD1-CE2 3.5Å; N794-L981 HydrophobicContact CB-CD1 4.48Å |
| 795 | Y | 85.9 | Confident | 83.1 | Confident | 67 Ų | 67 | 22.8 Ų | 22.8 | 26% | 0.263 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 170.9 | -64.6 | -43.8 | 0 | 0 | 0 | 113.4 | P661 Q791 S792 I793 L797 T798 E799 | P661-Y795 HydrophobicContact CB-CD1 3.89Å; P661-Y795 HydrophobicContact CB-CD2 3.29Å; P661-Y795 HydrophobicContact CB-CE1 4.08Å; P661-Y795 HydrophobicContact CB-CE2 3.49Å; P661-Y795 VanDerWaalsContact CB-CE2 3.49Å; P661-Y795 HydrophobicContact CB-CG 3.51Å; P661-Y795 HydrophobicContact CG-CD1 4.32Å; P661-Y795 HydrophobicContact CG-CD2 4.11Å; P661-Y795 HydrophobicContact CG-CG 3.91Å; Q791-Y795 HydrophobicContact CG-CD2 4.2Å; Q791-Y795 HydrophobicContact CG-CE2 3.57Å; Q791-Y795 PolarHBondContact NE2-OH 3.23Å; Q791-Y795 VanDerWaalsContact O-CD2 3.26Å; Q791-Y795 WeakPolarHBondContact O-CD2 3.49Å; Q791-Y795 PolarHBondContact O-N 3.44Å; S792-Y795 PolarHBondContact O-N 3.02Å; I793-Y795 VanDerWaalsContact C-N 3.31Å; I793-Y795 PolarHBondContact O-N 2.92Å; Y795-L797 PolarHBondContact O-N 2.96Å; Y795-T798 PolarHBondContact O-N 3.48Å; Y795-E799 WeakPolarHBondContact O-CG 3.33Å; Y795-E799 PolarHBondContact O-N 3.25Å; Y795-E799 VanDerWaalsContact O-N 3.07Å |
| 796 | Y | 86.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.5 | -46 | 177.2 | 178 | -91.6 | 0 | 0 | 0 | 112.5 | Y616 N619 S792 I793 E799 R800 D924 I925 | Y616-Y796 AromaticContact CD1-CD2 3.81Å; Y616-Y796 HydrophobicContact CD1-CD2 3.81Å; Y616-Y796 HydrophobicContact CD1-CE2 4.26Å; Y616-Y796 AromaticContact CD2-CD2 3.86Å; Y616-Y796 HydrophobicContact CD2-CD2 3.86Å; Y616-Y796 HydrophobicContact CE1-CD2 4.08Å; Y616-Y796 HydrophobicContact CE2-CD2 4.15Å; Y616-Y796 HydrophobicContact CE2-CG 4.46Å; Y616-Y796 AromaticContact CG-CD2 3.69Å; Y616-Y796 HydrophobicContact CG-CD2 3.69Å; Y616-Y796 HydrophobicContact CG-CE2 4.33Å; N619-Y796 WeakPolarHBondContact OD1-CE2 3.45Å; S792-Y796 PolarHBondContact O-N 3.47Å; I793-Y796 WeakPolarHBondContact O-CB 3.28Å; I793-Y796 PolarHBondContact O-N 3.5Å; I793-Y796 VanDerWaalsContact O-N 3.12Å; Y796-E799 PolarHBondContact O-N 3.03Å; Y796-R800 HydrophobicContact CD1-CG 4.16Å; Y796-R800 HydrophobicContact CE1-CG 3.76Å; Y796-R800 HydrophobicContact CE2-CG 4.48Å; Y796-R800 VanDerWaalsContact O-CG 3.29Å; Y796-R800 WeakPolarHBondContact O-CG 3.5Å; Y796-R800 PolarHBondContact O-N 3.28Å; Y796-R800 PolarHBondContact OH-NE 2.93Å; Y796-D924 HydrophobicContact CD2-CB 4.3Å; Y796-D924 HydrophobicContact CE2-CB 3.65Å; Y796-D924 WeakPolarHBondContact CE2-OD2 3.46Å; Y796-D924 PolarHBondContact OH-OD2 2.99Å; Y796-I925 HydrophobicContact CD1-CD1 4.09Å; Y796-I925 HydrophobicContact CD1-CG1 4.25Å; Y796-I925 HydrophobicContact CD1-CG2 3.7Å; Y796-I925 HydrophobicContact CE1-CB 4.47Å; Y796-I925 HydrophobicContact CE1-CD1 3.62Å; Y796-I925 HydrophobicContact CE1-CG1 3.68Å; Y796-I925 HydrophobicContact CE1-CG2 3.98Å; Y796-I925 HydrophobicContact CG-CG2 4.25Å |
| 797 | L | 87.9 | Confident | 84.2 | Confident | 11 Ų | 11 | 27.2 Ų | 27.2 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.8 | -44.6 | 179.4 | -68.3 | 177 | 0 | 0 | 0 | 111.4 | I793 Y795 E799 R800 E801 I925 F970 L981 | I793-L797 HydrophobicContact CG2-CD1 3.79Å; I793-L797 HydrophobicContact CG2-CG 4.05Å; I793-L797 WeakPolarHBondContact O-CG 3.45Å; I793-L797 PolarHBondContact O-N 3.14Å; Y795-L797 PolarHBondContact O-N 2.96Å; L797-E799 VanDerWaalsContact C-N 3.3Å; L797-E799 PolarHBondContact O-N 2.84Å; L797-R800 CarbonylContact O-C 3.56Å; L797-R800 WeakPolarHBondContact O-CA 3.27Å; L797-R800 PolarHBondContact O-N 2.96Å; L797-E801 PolarHBondContact O-N 2.86Å; L797-I925 HydrophobicContact CD2-CD1 4.11Å; L797-F970 HydrophobicContact CB-CD1 4.45Å; L797-F970 HydrophobicContact CB-CD2 4.19Å; L797-F970 HydrophobicContact CB-CE1 3.98Å; L797-F970 HydrophobicContact CB-CE2 3.68Å; L797-F970 HydrophobicContact CB-CZ 3.58Å; L797-F970 HydrophobicContact CD1-CB 4.34Å; L797-F970 HydrophobicContact CD1-CD1 4.07Å; L797-F970 HydrophobicContact CD1-CD2 4.05Å; L797-F970 HydrophobicContact CD1-CE1 4.42Å; L797-F970 HydrophobicContact CD1-CE2 4.39Å; L797-F970 HydrophobicContact CD1-CG 3.88Å; L797-L981 HydrophobicContact CD1-CD2 3.75Å |
| 798 | T | 87 | Confident | 84.5 | Confident | 27 Ų | 27 | 34.7 Ų | 34.7 | 17% | 0.166 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -50.4 | -48.2 | 173.1 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | W638 N639 N794 Y795 E801 W802 | W638-T798 HydrophobicContact CB-CG2 4.49Å; N639-T798 HydrophobicContact CB-CG2 4.32Å; N639-T798 PolarHBondContact OD1-O 3.19Å; N794-T798 VanDerWaalsContact O-CB 3.27Å; N794-T798 WeakPolarHBondContact O-CB 3.47Å; N794-T798 PolarHBondContact O-N 3.06Å; N794-T798 PolarHBondContact O-OG1 3.21Å; Y795-T798 PolarHBondContact O-N 3.48Å; T798-E801 PolarHBondContact O-N 2.96Å; T798-W802 PolarHBondContact O-N 3.32Å |
| 799 | E | 87.5 | Confident | 84.7 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.7 | -35.1 | 177.7 | -70 | 179.7 | 158.9 | 0 | 0 | 112.7 | S614 N619 W638 R643 Y795 Y796 L797 W802 I803 | S614-E799 WeakPolarHBondContact CB-OE1 3.28Å; S614-E799 WeakPolarHBondContact CB-OE2 3.4Å; S614-E799 PolarHBondContact OG-OE1 3.13Å; S614-E799 PolarHBondContact OG-OE2 3.18Å; N619-E799 WeakPolarHBondContact ND2-CB 2.96Å; N619-E799 PolarHBondContact ND2-OE2 3.49Å; W638-E799 HydrophobicContact CE3-CB 4.49Å; W638-E799 HydrophobicContact CE3-CG 4.12Å; R643-E799 IonicContact CZ-OE1 2.78Å; R643-E799 VanDerWaalsContact CZ-OE1 3.27Å; R643-E799 IonicContact NH1-OE1 3.76Å; R643-E799 PolarHBondContact NH1-OE1 2.87Å; R643-E799 IonicContact NH2-OE1 3.22Å; R643-E799 PolarHBondContact NH2-OE1 3.41Å; Y795-E799 WeakPolarHBondContact O-CG 3.33Å; Y795-E799 PolarHBondContact O-N 3.25Å; Y795-E799 VanDerWaalsContact O-N 3.07Å; Y796-E799 PolarHBondContact O-N 3.03Å; L797-E799 VanDerWaalsContact C-N 3.3Å; L797-E799 PolarHBondContact O-N 2.84Å; E799-W802 PolarHBondContact O-N 3.5Å; E799-I803 WeakPolarHBondContact O-CD1 3.4Å; E799-I803 VanDerWaalsContact O-CG1 3.23Å; E799-I803 WeakPolarHBondContact O-CG1 3.38Å; E799-I803 PolarHBondContact O-N 2.8Å |
| 800 | R | 87 | Confident | 85 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.1 | -32.7 | 176.6 | -74 | -78 | 173.6 | 164.5 | -2.8 | 113.2 | S618 N619 L622 Y796 L797 I803 S804 E880 | S618-R800 VanDerWaalsContact CB-NH2 3.27Å; S618-R800 PolarHBondContact OG-NH2 2.95Å; N619-R800 PolarHBondContact OD1-NE 3.01Å; N619-R800 PolarHBondContact OD1-NH2 3.21Å; L622-R800 VanDerWaalsContact CD1-NH1 3.27Å; Y796-R800 HydrophobicContact CD1-CG 4.16Å; Y796-R800 HydrophobicContact CE1-CG 3.76Å; Y796-R800 HydrophobicContact CE2-CG 4.48Å; Y796-R800 VanDerWaalsContact O-CG 3.29Å; Y796-R800 WeakPolarHBondContact O-CG 3.5Å; Y796-R800 PolarHBondContact O-N 3.28Å; Y796-R800 PolarHBondContact OH-NE 2.93Å; L797-R800 CarbonylContact O-C 3.56Å; L797-R800 WeakPolarHBondContact O-CA 3.27Å; L797-R800 PolarHBondContact O-N 2.96Å; R800-I803 PolarHBondContact O-N 2.88Å; R800-S804 WeakPolarHBondContact O-CB 3.44Å; R800-S804 PolarHBondContact O-N 3.27Å; R800-E880 IonicContact NH2-OE1 2.64Å |
| 801 | E | 85.3 | Confident | 84.8 | Confident | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -47 | 171.5 | -70.6 | -162.4 | 112.9 | 0 | 0 | 111.5 | N639 L797 T798 I803 S804 Q805 F970 Q972 E973 | N639-E801 PolarHBondContact ND2-OE2 2.91Å; L797-E801 PolarHBondContact O-N 2.86Å; T798-E801 PolarHBondContact O-N 2.96Å; E801-I803 VanDerWaalsContact C-N 3.34Å; E801-I803 PolarHBondContact O-N 3.46Å; E801-S804 WeakPolarHBondContact O-CA 3.4Å; E801-S804 WeakPolarHBondContact O-CB 3.42Å; E801-S804 PolarHBondContact O-N 3.28Å; E801-Q805 WeakPolarHBondContact O-CG 3.4Å; E801-Q805 PolarHBondContact O-N 2.85Å; E801-F970 HydrophobicContact CG-CE1 4.3Å; E801-F970 HydrophobicContact CG-CZ 4.34Å; E801-F970 WeakPolarHBondContact OE2-CZ 3.34Å; E801-Q972 VanDerWaalsContact OE1-CA 3.26Å; E801-Q972 WeakPolarHBondContact OE1-CA 3.16Å; E801-E973 PolarHBondContact OE1-N 2.87Å |
| 802 | W | 85.5 | Confident | 84.9 | Confident | 22 Ų | 22 | 38 Ų | 38 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | 175.4 | -172.6 | 102.8 | 0 | 0 | 0 | 111.9 | L623 Y626 I627 I630 D637 W638 T798 E799 S804 Q805 K806 | L623-W802 HydrophobicContact CD2-CE3 4.37Å; L623-W802 HydrophobicContact CD2-CZ3 4.49Å; Y626-W802 HydrophobicContact CG-CZ3 4.44Å; I627-W802 HydrophobicContact CG1-CH2 4.04Å; I630-W802 HydrophobicContact CD1-CH2 4.25Å; I630-W802 HydrophobicContact CD1-CZ2 4.22Å; D637-W802 PolarHBondContact O-NE1 2.86Å; W638-W802 HydrophobicContact CD2-CG 4.44Å; W638-W802 HydrophobicContact CE3-CB 3.76Å; W638-W802 AromaticContact CE3-CD2 3.79Å; W638-W802 HydrophobicContact CE3-CD2 3.79Å; W638-W802 HydrophobicContact CE3-CE3 4.22Å; W638-W802 AromaticContact CE3-CG 3.59Å; W638-W802 HydrophobicContact CE3-CG 3.59Å; W638-W802 AromaticContact CH2-CD2 3.92Å; W638-W802 HydrophobicContact CH2-CD2 3.92Å; W638-W802 AromaticContact CH2-CE3 3.74Å; W638-W802 HydrophobicContact CH2-CE3 3.74Å; W638-W802 HydrophobicContact CH2-CH2 4.1Å; W638-W802 HydrophobicContact CH2-CZ2 4.26Å; W638-W802 AromaticContact CH2-CZ3 3.83Å; W638-W802 HydrophobicContact CH2-CZ3 3.83Å; W638-W802 HydrophobicContact CZ3-CB 3.98Å; W638-W802 AromaticContact CZ3-CD2 3.37Å; W638-W802 HydrophobicContact CZ3-CD2 3.37Å; W638-W802 AromaticContact CZ3-CE2 3.99Å; W638-W802 AromaticContact CZ3-CE3 3.35Å; W638-W802 HydrophobicContact CZ3-CE3 3.35Å; W638-W802 AromaticContact CZ3-CG 3.68Å; W638-W802 HydrophobicContact CZ3-CG 3.68Å; W638-W802 AromaticContact CZ3-CZ3 3.96Å; W638-W802 HydrophobicContact CZ3-CZ3 3.96Å; T798-W802 PolarHBondContact O-N 3.32Å; E799-W802 PolarHBondContact O-N 3.5Å; W802-S804 VanDerWaalsContact C-N 3.31Å; W802-S804 PolarHBondContact O-N 3Å; W802-Q805 PolarHBondContact O-N 2.87Å; W802-K806 HydrophobicContact CD2-CG 4.45Å; W802-K806 HydrophobicContact CE3-CG 4.16Å; W802-K806 HydrophobicContact CH2-CG 4.25Å; W802-K806 HydrophobicContact CZ3-CG 4.06Å; W802-K806 WeakPolarHBondContact O-CG 3.39Å; W802-K806 PolarHBondContact O-N 3.04Å |
| 803 | I | 86.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57 | -46.9 | 172.3 | -69.3 | 160.9 | 0 | 0 | 0 | 110.1 | L622 L623 Y626 E799 R800 E801 Q805 K806 H807 H879 | L622-I803 HydrophobicContact CB-CD1 3.8Å; L622-I803 HydrophobicContact CB-CG1 4.26Å; L622-I803 HydrophobicContact CB-CG2 4.44Å; L622-I803 HydrophobicContact CD1-CD1 4.01Å; L622-I803 HydrophobicContact CD1-CG2 4.4Å; L623-I803 HydrophobicContact CD2-CD1 3.57Å; L623-I803 HydrophobicContact CD2-CG1 3.41Å; L623-I803 VanDerWaalsContact CD2-CG1 3.41Å; Y626-I803 HydrophobicContact CD2-CG2 4.43Å; Y626-I803 HydrophobicContact CE2-CG2 3.85Å; E799-I803 WeakPolarHBondContact O-CD1 3.4Å; E799-I803 VanDerWaalsContact O-CG1 3.23Å; E799-I803 WeakPolarHBondContact O-CG1 3.38Å; E799-I803 PolarHBondContact O-N 2.8Å; R800-I803 PolarHBondContact O-N 2.88Å; E801-I803 VanDerWaalsContact C-N 3.34Å; E801-I803 PolarHBondContact O-N 3.46Å; I803-Q805 PolarHBondContact O-N 2.69Å; I803-K806 PolarHBondContact O-N 3.31Å; I803-K806 VanDerWaalsContact O-N 3.08Å; I803-H807 PolarHBondContact O-N 2.9Å; I803-H807 VanDerWaalsContact O-N 3.14Å; I803-H879 HydrophobicContact CG2-CB 4.06Å |
| 804 | S | 85.9 | Confident | 85.2 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | -178.9 | -163.2 | 0 | 0 | 0 | 0 | 111.9 | R800 E801 W802 K806 H807 G811 R814 H879 | R800-S804 WeakPolarHBondContact O-CB 3.44Å; R800-S804 PolarHBondContact O-N 3.27Å; E801-S804 WeakPolarHBondContact O-CA 3.4Å; E801-S804 WeakPolarHBondContact O-CB 3.42Å; E801-S804 PolarHBondContact O-N 3.28Å; W802-S804 VanDerWaalsContact C-N 3.31Å; W802-S804 PolarHBondContact O-N 3Å; S804-K806 PolarHBondContact O-N 3.29Å; S804-K806 VanDerWaalsContact O-N 3.08Å; S804-H807 PolarHBondContact O-N 3.34Å; S804-G811 WeakPolarHBondContact O-CA 3.24Å; S804-R814 PolarHBondContact OG-NH1 3.47Å; S804-H879 WeakPolarHBondContact CA-NE2 3.27Å; S804-H879 WeakPolarHBondContact CB-NE2 3.4Å |
| 805 | Q | 82.7 | Confident | 85.2 | Confident | 67 Ų | 67 | 35.7 Ų | 35.7 | 31% | 0.313 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -54 | -28.3 | 173.6 | -70.1 | -179.7 | -2.9 | 0 | 0 | 113.5 | E801 W802 I803 E973 | E801-Q805 WeakPolarHBondContact O-CG 3.4Å; E801-Q805 PolarHBondContact O-N 2.85Å; W802-Q805 PolarHBondContact O-N 2.87Å; I803-Q805 PolarHBondContact O-N 2.69Å; Q805-E973 PolarHBondContact NE2-OE2 3.25Å |
| 806 | K | 82.7 | Confident | 85.3 | Confident | 100 Ų | 100 | 32.7 Ų | 32.7 | 44% | 0.435 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -96.3 | -9.3 | 179.8 | -54.3 | -51.1 | 178 | -164.3 | 0 | 114.2 | Y626 W802 I803 S804 E808 | Y626-K806 HydrophobicContact CD1-CB 3.48Å; Y626-K806 VanDerWaalsContact CD1-CB 3.48Å; Y626-K806 HydrophobicContact CD1-CG 4.44Å; Y626-K806 HydrophobicContact CE1-CB 3.83Å; Y626-K806 VanDerWaalsContact CE1-O 3.31Å; Y626-K806 WeakPolarHBondContact CE1-O 3.29Å; Y626-K806 HydrophobicContact CG-CB 3.92Å; W802-K806 HydrophobicContact CD2-CG 4.45Å; W802-K806 HydrophobicContact CE3-CG 4.16Å; W802-K806 HydrophobicContact CH2-CG 4.25Å; W802-K806 HydrophobicContact CZ3-CG 4.06Å; W802-K806 WeakPolarHBondContact O-CG 3.39Å; W802-K806 PolarHBondContact O-N 3.04Å; I803-K806 PolarHBondContact O-N 3.31Å; I803-K806 VanDerWaalsContact O-N 3.08Å; S804-K806 PolarHBondContact O-N 3.29Å; S804-K806 VanDerWaalsContact O-N 3.08Å; K806-E808 PolarHBondContact O-N 3.36Å |
| 807 | H | 83.3 | Confident | 85.4 | Confident | 14 Ų | 14 | 33.1 Ų | 33.1 | 7% | 0.065 | 17% | 0.171 | C | C | . | . | trans | -91.2 | 102.6 | -175.5 | -169 | -44.8 | 0 | 0 | 0 | 111.9 | Y626 I803 S804 L809 L810 G811 H879 S882 | Y626-H807 WeakPolarHBondContact OH-CB 3.38Å; Y626-H807 PolarHBondContact OH-CD2 2.71Å; I803-H807 PolarHBondContact O-N 2.9Å; I803-H807 VanDerWaalsContact O-N 3.14Å; S804-H807 PolarHBondContact O-N 3.34Å; H807-L809 PolarHBondContact ND1-N 3.03Å; H807-L809 PolarHBondContact O-N 3.47Å; H807-L809 VanDerWaalsContact O-N 3.16Å; H807-L810 HydrophobicContact CB-CB 4.39Å; H807-L810 PolarHBondContact ND1-N 2.9Å; H807-L810 PolarHBondContact O-N 3.45Å; H807-L810 VanDerWaalsContact O-N 3.08Å; H807-G811 PolarHBondContact O-N 3.3Å; H807-H879 AromaticContact CD2-CD2 3.82Å; H807-S882 PolarHBondContact CE1-OG 3.45Å; H807-S882 PolarHBondContact NE2-OG 2.91Å | ||
| 808 | E | 80.4 | Confident | 85.4 | Confident | 195 Ų | 195 | 34.9 Ų | 34.9 | 91% | 0.911 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -43.7 | -53 | -174.8 | -61.5 | 177.3 | 174.9 | 0 | 0 | 114.9 | K806 | K806-E808 PolarHBondContact O-N 3.36Š|
| 809 | L | 82.7 | Confident | 85.5 | Confident | 91 Ų | 91 | 33.6 Ų | 33.6 | 48% | 0.476 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -33 | -178.6 | -61.5 | 173.5 | 0 | 0 | 0 | 115 | H807 | H807-L809 PolarHBondContact ND1-N 3.03Å; H807-L809 PolarHBondContact O-N 3.47Å; H807-L809 VanDerWaalsContact O-N 3.16Å |
| 810 | L | 85.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -14.9 | -166.7 | -73 | 173.7 | 0 | 0 | 0 | 114.2 | H807 S812 F813 V850 I877 L884 | H807-L810 HydrophobicContact CB-CB 4.39Å; H807-L810 PolarHBondContact ND1-N 2.9Å; H807-L810 PolarHBondContact O-N 3.45Å; H807-L810 VanDerWaalsContact O-N 3.08Å; L810-S812 PolarHBondContact O-N 3.32Å; L810-F813 PolarHBondContact O-N 3Å; L810-V850 HydrophobicContact CD2-CG1 3.73Å; L810-I877 HydrophobicContact CB-CG2 4.14Å; L810-I877 HydrophobicContact CD1-CG2 3.84Å; L810-I877 HydrophobicContact CD2-CG2 4.2Å; L810-I877 HydrophobicContact CG-CG2 4.31Å; L810-L884 HydrophobicContact CD2-CD2 3.67Å; L810-L884 HydrophobicContact CD2-CG 3.83Å |
| 811 | G | 80.8 | Confident | 85.8 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 24% | 0.237 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -12.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | S804 H807 R814 | S804-G811 WeakPolarHBondContact O-CA 3.24Å; H807-G811 PolarHBondContact O-N 3.3Å; G811-R814 PolarHBondContact O-NH1 3.26Å |
| 812 | S | 83.1 | Confident | 86.1 | Confident | 63 Ų | 63 | 38.5 Ų | 38.5 | 44% | 0.441 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6.2 | 176 | 62.9 | 0 | 0 | 0 | 0 | 114.7 | L810 K837 | L810-S812 PolarHBondContact O-N 3.32Å; S812-K837 WeakPolarHBondContact O-CD 3.29Å; S812-K837 PolarHBondContact O-NZ 3.33Å |
| 813 | F | 87.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | trans | -105.8 | 149.8 | -178.9 | -59.7 | -93.2 | 0 | 0 | 0 | 112 | L810 D817 V819 K837 V850 V874 I877 L884 | L810-F813 PolarHBondContact O-N 3Å; F813-D817 WeakPolarHBondContact CA-OD2 3.46Å; F813-V819 HydrophobicContact CD1-CG1 4.05Å; F813-V819 HydrophobicContact CE1-CG1 3.85Å; F813-K837 HydrophobicContact CD1-CB 4.43Å; F813-K837 HydrophobicContact CE1-CB 3.88Å; F813-K837 HydrophobicContact CZ-CB 4.43Å; F813-V850 HydrophobicContact CE2-CB 4.42Å; F813-V850 HydrophobicContact CE2-CG2 3.78Å; F813-V850 HydrophobicContact CZ-CG2 4.08Å; F813-V874 HydrophobicContact CD1-CG2 4.35Å; F813-I877 HydrophobicContact CB-CD1 4.13Å; F813-I877 VanDerWaalsContact O-CD1 3.26Å; F813-I877 WeakPolarHBondContact O-CD1 3.43Å; F813-L884 HydrophobicContact CB-CD2 3.89Å; F813-L884 HydrophobicContact CD1-CD1 3.59Å; F813-L884 HydrophobicContact CD1-CD2 4.33Å; F813-L884 HydrophobicContact CD2-CD1 4.18Å; F813-L884 HydrophobicContact CD2-CD2 4.4Å; F813-L884 HydrophobicContact CE1-CD1 3.58Å; F813-L884 HydrophobicContact CE2-CD1 4.2Å; F813-L884 HydrophobicContact CG-CD1 3.9Å; F813-L884 HydrophobicContact CG-CD2 3.97Å; F813-L884 HydrophobicContact CZ-CD1 3.9Å | ||
| 814 | R | 87.6 | Confident | 86.3 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | trans | -138.5 | 162.4 | 175.4 | -67.3 | -62.4 | -177.3 | -84.3 | -0.6 | 110.6 | S804 G811 G816 D817 E973 | S804-R814 PolarHBondContact OG-NH1 3.47Å; G811-R814 PolarHBondContact O-NH1 3.26Å; R814-G816 PolarHBondContact O-N 2.95Å; R814-D817 PolarHBondContact N-OD2 3.15Å; R814-D817 WeakPolarHBondContact O-CB 3.5Å; R814-D817 PolarHBondContact O-N 3.23Å; R814-E973 PolarHBondContact NE-O 3.03Å; R814-E973 PolarHBondContact NH2-O 2.94Å | ||
| 815 | I | 88.6 | Confident | 86.1 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 121.3 | -180 | -61.4 | 176.4 | 0 | 0 | 0 | 108.2 | V927 L938 Q972 T977 L979 | I815-V927 HydrophobicContact CD1-CG2 4.47Å; I815-V927 HydrophobicContact CG2-CG1 4.08Å; I815-L938 HydrophobicContact CG2-CD1 3.89Å; I815-Q972 PolarHBondContact O-NE2 3.22Å; I815-Q972 PolarHBondContact O-OE1 2.89Å; I815-T977 PolarHBondContact O-OG1 3.05Å; I815-T977 VanDerWaalsContact O-OG1 3.12Å; I815-L979 HydrophobicContact CB-CD1 4.41Å; I815-L979 HydrophobicContact CB-CD2 4.16Å; I815-L979 HydrophobicContact CG2-CD2 3.87Å |
| 816 | G | 87.3 | Confident | 85.8 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.2 | -8.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R814 V874 | R814-G816 PolarHBondContact O-N 2.95Å; G816-V874 PolarHBondContact N-O 2.86Å |
| 817 | D | 88 | Confident | 85.5 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | trans | -66.5 | 140.1 | 176.9 | -74.6 | -8.4 | 0 | 0 | 0 | 112.2 | F813 R814 K837 V874 S975 | F813-D817 WeakPolarHBondContact CA-OD2 3.46Å; R814-D817 PolarHBondContact N-OD2 3.15Å; R814-D817 WeakPolarHBondContact O-CB 3.5Å; R814-D817 PolarHBondContact O-N 3.23Å; D817-K837 IonicContact OD1-NZ 2.85Å; D817-K837 WeakPolarHBondContact OD2-CE 3.3Å; D817-K837 IonicContact OD2-NZ 3.72Å; D817-K837 PolarHBondContact OD2-NZ 3.31Å; D817-V874 HydrophobicContact CB-CG2 4.46Å; D817-V874 PolarHBondContact O-N 3.03Å; D817-S975 PolarHBondContact OD1-OG 3.26Å | ||
| 818 | H | 88.2 | Confident | 85 | Confident | 49 Ų | 49 | 44 Ų | 44 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 131.6 | 177.2 | -177 | -85.5 | 0 | 0 | 0 | 111.7 | L838 S871 | H818-L838 PolarHBondContact O-N 2.91Å; H818-S871 PolarHBondContact NE2-OG 3.38Å |
| 819 | V | 89.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 148.8 | -172.4 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | F813 A835 S836 G872 V874 I886 | F813-V819 HydrophobicContact CD1-CG1 4.05Å; F813-V819 HydrophobicContact CE1-CG1 3.85Å; V819-A835 HydrophobicContact CB-CB 4.39Å; V819-A835 HydrophobicContact CG2-CB 4.48Å; V819-S836 CarbonylContact C-O 3.12Å; V819-S836 VanDerWaalsContact CA-O 3.28Å; V819-S836 WeakPolarHBondContact CA-O 3.43Å; V819-S836 WeakPolarHBondContact CB-O 3.14Å; V819-G872 WeakPolarHBondContact CG2-O 3.36Å; V819-G872 PolarHBondContact N-O 3.49Å; V819-G872 PolarHBondContact O-N 2.85Å; V819-V874 HydrophobicContact CG1-CG2 3.78Å; V819-V874 HydrophobicContact CG2-CG2 4.15Å; V819-I886 HydrophobicContact CG2-CD1 3.7Å; V819-I886 HydrophobicContact CG2-CG1 4.13Å; V819-I886 HydrophobicContact CG2-CG2 4.4Å |
| 820 | H | 90.5 | Very high | 84.8 | Confident | 65 Ų | 65 | 32.9 Ų | 32.9 | 30% | 0.301 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 129.6 | 159.4 | -71.5 | -46.9 | 0 | 0 | 0 | 108.8 | A835 S836 L838 W849 Y870 | H820-A835 CarbonylContact O-C 3.38Å; H820-A835 WeakPolarHBondContact O-CA 3.16Å; H820-S836 PolarHBondContact N-O 2.81Å; H820-S836 PolarHBondContact O-N 3.2Å; H820-L838 VanDerWaalsContact NE2-CD1 3.3Å; H820-L838 WeakPolarHBondContact NE2-CD1 3.49Å; H820-W849 HydrophobicContact CB-CH2 4.18Å; H820-Y870 CarbonylContact C-O 3.57Å; H820-Y870 WeakPolarHBondContact CA-O 3.32Å |
| 821 | F | 91.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 117.7 | 175.1 | 175.8 | -113.3 | 0 | 0 | 0 | 109.7 | V823 I831 A835 A852 V854 T869 Y870 I886 L888 | F821-V823 HydrophobicContact CD1-CG2 4.23Å; F821-V823 HydrophobicContact CE1-CG2 3.88Å; F821-I831 HydrophobicContact CE1-CG2 3.91Å; F821-I831 HydrophobicContact CZ-CG2 4.14Å; F821-A835 HydrophobicContact CD2-CB 4.42Å; F821-A852 HydrophobicContact CD2-CB 3.96Å; F821-A852 HydrophobicContact CE2-CB 3.88Å; F821-V854 HydrophobicContact CD1-CG2 4.12Å; F821-V854 HydrophobicContact CE1-CG2 3.78Å; F821-V854 HydrophobicContact CE2-CG2 4.42Å; F821-V854 HydrophobicContact CZ-CG2 3.94Å; F821-T869 CarbonylContact O-C 3.56Å; F821-T869 WeakPolarHBondContact O-CA 3.22Å; F821-Y870 PolarHBondContact N-O 2.92Å; F821-Y870 PolarHBondContact O-N 3.1Å; F821-I886 HydrophobicContact CB-CD1 4.31Å; F821-I886 HydrophobicContact CD2-CD1 3.94Å; F821-I886 HydrophobicContact CG-CD1 4.39Å; F821-L888 HydrophobicContact CB-CD2 4.32Å; F821-L888 HydrophobicContact CD1-CD1 3.9Å; F821-L888 HydrophobicContact CD1-CD2 4.17Å; F821-L888 HydrophobicContact CE1-CD1 4.15Å |
| 822 | K | 90.5 | Very high | 85.3 | Confident | 73 Ų | 73 | 34.9 Ų | 34.9 | 32% | 0.317 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.5 | 173.1 | -173.7 | -177.1 | 177.5 | -173.4 | 0 | 108.8 | G833 K834 W849 S867 Q868 T869 | K822-G833 CarbonylContact O-C 3.53Å; K822-G833 WeakPolarHBondContact O-CA 3.4Å; K822-K834 PolarHBondContact N-O 2.89Å; K822-K834 PolarHBondContact O-N 2.91Å; K822-W849 HydrophobicContact CB-CE3 4.44Å; K822-W849 HydrophobicContact CB-CH2 4.22Å; K822-W849 HydrophobicContact CB-CZ3 3.72Å; K822-S867 VanDerWaalsContact CE-O 3.28Å; K822-S867 WeakPolarHBondContact CE-O 3.35Å; K822-Q868 WeakPolarHBondContact CA-O 3.47Å; K822-T869 HydrophobicContact CB-CG2 3.83Å; K822-T869 HydrophobicContact CG-CG2 4.12Å |
| 823 | V | 88.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 132.1 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | F821 I831 V866 S867 Q868 Y870 | F821-V823 HydrophobicContact CD1-CG2 4.23Å; F821-V823 HydrophobicContact CE1-CG2 3.88Å; V823-I831 HydrophobicContact CG1-CG2 3.82Å; V823-I831 HydrophobicContact CG2-CG2 4.1Å; V823-V866 HydrophobicContact CG1-CG2 4.34Å; V823-S867 VanDerWaalsContact O-CA 3.32Å; V823-S867 WeakPolarHBondContact O-CA 3.41Å; V823-S867 PolarHBondContact O-N 3.16Å; V823-Q868 PolarHBondContact N-O 3.34Å; V823-Q868 VanDerWaalsContact N-O 3.11Å; V823-Y870 HydrophobicContact CG2-CD2 3.86Å; V823-Y870 HydrophobicContact CG2-CE2 3.77Å |
| 824 | E | 87.3 | Confident | 85.8 | Confident | 91 Ų | 91 | 35.7 Ų | 35.7 | 43% | 0.425 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | -21.9 | 173.9 | -63.1 | -171.3 | 149.9 | 0 | 0 | 112.6 | F832 K834 | E824-F832 PolarHBondContact N-O 2.9Å; E824-K834 IonicContact OE1-NZ 2.7Å; E824-K834 PolarHBondContact OE1-NZ 3.26Å; E824-K834 IonicContact OE2-NZ 2.77Å; E824-K834 PolarHBondContact OE2-NZ 2.88Å |
| 825 | G | 82.4 | Confident | 85.9 | Confident | 23 Ų | 23 | 35 Ų | 35 | 24% | 0.237 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 161.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F832 | G825-F832 PolarHBondContact N-O 2.94Å; G825-F832 VanDerWaalsContact N-O 3.07Å; G825-F832 PolarHBondContact O-N 3.05Å; G825-F832 VanDerWaalsContact O-O 3.09Å |
| 826 | L | 77.2 | Confident | 85.9 | Confident | 107 Ų | 107 | 34.4 Ų | 34.4 | 56% | 0.56 | 18% | 0.179 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.2 | -180 | -155.1 | 109.8 | 0 | 0 | 0 | 108.6 | I831 | L826-I831 HydrophobicContact CD1-CB 4.42Å; L826-I831 HydrophobicContact CD1-CD1 4.06Å; L826-I831 HydrophobicContact CD1-CG1 3.77Å; L826-I831 HydrophobicContact CD1-CG2 4.08Å; L826-I831 HydrophobicContact CG-CG1 4.35Å |
| 827 | D | 75.3 | Confident | 85.6 | Confident | 20 Ų | 20 | 37.7 Ų | 37.7 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | trans | -123.4 | 164.8 | 172.4 | -155.7 | -7 | 0 | 0 | 0 | 108.9 | S829 V830 F832 | D827-S829 PolarHBondContact O-N 3.22Å; D827-S829 VanDerWaalsContact O-N 3.11Å; D827-V830 WeakPolarHBondContact CA-O 3.32Å; D827-V830 WeakPolarHBondContact CB-O 3.48Å; D827-V830 PolarHBondContact N-O 2.89Å; D827-V830 PolarHBondContact O-N 3.13Å; D827-F832 HydrophobicContact CB-CD2 4.34Å; D827-F832 HydrophobicContact CB-CE2 3.84Å | ||
| 828 | N | 72.1 | Confident | 84.7 | Confident | 80 Ų | 80 | 40.4 Ų | 40.4 | 43% | 0.428 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -66.5 | -24.3 | -165.9 | -46.9 | -73.3 | 0 | 0 | 0 | 113.1 | E1566 R1570 | N828-E1566 WeakPolarHBondContact CB-OE2 3.23Å; N828-E1566 PolarHBondContact ND2-OE2 3.45Å; N828-R1570 VanDerWaalsContact CG-NH2 3.28Å; N828-R1570 PolarHBondContact ND2-NH1 2.86Å; N828-R1570 PolarHBondContact OD1-NH1 2.84Å; N828-R1570 PolarHBondContact OD1-NH2 2.89Å |
| 829 | S | 76.5 | Confident | 83.3 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 34% | 0.343 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -105.7 | -26.3 | -179.7 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | D827 V856 E1566 | D827-S829 PolarHBondContact O-N 3.22Å; D827-S829 VanDerWaalsContact O-N 3.11Å; S829-V856 PolarHBondContact O-N 2.84Å; S829-E1566 PolarHBondContact OG-OE1 2.74Å |
| 830 | V | 84.1 | Confident | 81.5 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 134.8 | -167 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | D827 F832 M853 V854 Y855 | D827-V830 WeakPolarHBondContact CA-O 3.32Å; D827-V830 WeakPolarHBondContact CB-O 3.48Å; D827-V830 PolarHBondContact N-O 2.89Å; D827-V830 PolarHBondContact O-N 3.13Å; V830-F832 HydrophobicContact CB-CE1 4.43Å; V830-F832 HydrophobicContact CB-CE2 4.04Å; V830-F832 HydrophobicContact CB-CZ 3.92Å; V830-F832 HydrophobicContact CG1-CD1 3.99Å; V830-F832 HydrophobicContact CG1-CD2 4.27Å; V830-F832 HydrophobicContact CG1-CE1 3.64Å; V830-F832 HydrophobicContact CG1-CE2 3.95Å; V830-F832 HydrophobicContact CG1-CG 4.29Å; V830-F832 HydrophobicContact CG1-CZ 3.62Å; V830-M853 HydrophobicContact CG1-CB 3.76Å; V830-M853 HydrophobicContact CG1-CE 3.97Å; V830-M853 HydrophobicContact CG2-CE 4.04Å; V830-V854 WeakPolarHBondContact CA-O 3.49Å; V830-Y855 HydrophobicContact CG2-CD1 3.89Å; V830-Y855 HydrophobicContact CG2-CE1 4.07Å |
| 831 | I | 87.1 | Confident | 79.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.2 | 166.9 | -48.9 | 176.9 | 0 | 0 | 0 | 108.4 | F821 V823 L826 M853 V854 V856 Y864 | F821-I831 HydrophobicContact CE1-CG2 3.91Å; F821-I831 HydrophobicContact CZ-CG2 4.14Å; V823-I831 HydrophobicContact CG1-CG2 3.82Å; V823-I831 HydrophobicContact CG2-CG2 4.1Å; L826-I831 HydrophobicContact CD1-CB 4.42Å; L826-I831 HydrophobicContact CD1-CD1 4.06Å; L826-I831 HydrophobicContact CD1-CG1 3.77Å; L826-I831 HydrophobicContact CD1-CG2 4.08Å; L826-I831 HydrophobicContact CG-CG1 4.35Å; I831-M853 CarbonylContact O-C 3.56Å; I831-M853 WeakPolarHBondContact O-CA 3.46Å; I831-V854 HydrophobicContact CB-CB 4.26Å; I831-V854 PolarHBondContact N-O 3.05Å; I831-V854 PolarHBondContact O-N 2.89Å; I831-V856 HydrophobicContact CG1-CG2 4.35Å; I831-Y864 HydrophobicContact CD1-CD2 3.49Å; I831-Y864 VanDerWaalsContact CD1-CD2 3.49Å; I831-Y864 HydrophobicContact CD1-CE2 3.97Å; I831-Y864 HydrophobicContact CD1-CG 3.87Å |
| 832 | F | 88.9 | Confident | 77.6 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 28% | 0.281 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147 | -179.3 | -64.8 | -77 | 0 | 0 | 0 | 111.6 | E824 G825 D827 V830 M853 | E824-F832 PolarHBondContact N-O 2.9Å; G825-F832 PolarHBondContact N-O 2.94Å; G825-F832 VanDerWaalsContact N-O 3.07Å; G825-F832 PolarHBondContact O-N 3.05Å; G825-F832 VanDerWaalsContact O-O 3.09Å; D827-F832 HydrophobicContact CB-CD2 4.34Å; D827-F832 HydrophobicContact CB-CE2 3.84Å; V830-F832 HydrophobicContact CB-CE1 4.43Å; V830-F832 HydrophobicContact CB-CE2 4.04Å; V830-F832 HydrophobicContact CB-CZ 3.92Å; V830-F832 HydrophobicContact CG1-CD1 3.99Å; V830-F832 HydrophobicContact CG1-CD2 4.27Å; V830-F832 HydrophobicContact CG1-CE1 3.64Å; V830-F832 HydrophobicContact CG1-CE2 3.95Å; V830-F832 HydrophobicContact CG1-CG 4.29Å; V830-F832 HydrophobicContact CG1-CZ 3.62Å; F832-M853 HydrophobicContact CD1-CB 4.31Å; F832-M853 HydrophobicContact CE1-CB 4.5Å |
| 833 | G | 89.7 | Confident | 75.8 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | -161 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K822 A852 | K822-G833 CarbonylContact O-C 3.53Å; K822-G833 WeakPolarHBondContact O-CA 3.4Å; G833-A852 PolarHBondContact N-O 2.92Å; G833-A852 PolarHBondContact O-N 2.87Å; G833-A852 VanDerWaalsContact O-O 3.07Å |
| 834 | K | 91 | Very high | 73.8 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 33% | 0.326 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 148.2 | 173.1 | -64.9 | -176.3 | 179.2 | 76.7 | 0 | 110.4 | K822 E824 W849 V850 | K822-K834 PolarHBondContact N-O 2.89Å; K822-K834 PolarHBondContact O-N 2.91Å; E824-K834 IonicContact OE1-NZ 2.7Å; E824-K834 PolarHBondContact OE1-NZ 3.26Å; E824-K834 IonicContact OE2-NZ 2.77Å; E824-K834 PolarHBondContact OE2-NZ 2.88Å; K834-W849 HydrophobicContact CB-CB 4.24Å; K834-W849 HydrophobicContact CB-CE3 3.95Å; K834-W849 HydrophobicContact CD-CB 4.29Å; K834-W849 WeakPolarHBondContact O-CZ3 3.3Å; K834-V850 CarbonylContact C-O 3.57Å; K834-V850 VanDerWaalsContact CA-O 3.3Å; K834-V850 WeakPolarHBondContact CA-O 3.3Å |
| 835 | A | 90.3 | Very high | 72.2 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | V819 H820 F821 W849 V850 A852 L884 I886 | V819-A835 HydrophobicContact CB-CB 4.39Å; V819-A835 HydrophobicContact CG2-CB 4.48Å; H820-A835 CarbonylContact O-C 3.38Å; H820-A835 WeakPolarHBondContact O-CA 3.16Å; F821-A835 HydrophobicContact CD2-CB 4.42Å; A835-W849 WeakPolarHBondContact O-CA 3.35Å; A835-V850 PolarHBondContact N-O 3.03Å; A835-V850 PolarHBondContact O-N 3.07Å; A835-A852 HydrophobicContact CB-CB 3.74Å; A835-L884 HydrophobicContact CB-CD1 4.23Å; A835-I886 HydrophobicContact CB-CD1 3.49Å; A835-I886 VanDerWaalsContact CB-CD1 3.49Å |
| 836 | S | 88.7 | Confident | 70.7 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.007 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.9 | 173.4 | 60 | 0 | 0 | 0 | 0 | 110.9 | V819 H820 I848 W849 | V819-S836 CarbonylContact C-O 3.12Å; V819-S836 VanDerWaalsContact CA-O 3.28Å; V819-S836 WeakPolarHBondContact CA-O 3.43Å; V819-S836 WeakPolarHBondContact CB-O 3.14Å; H820-S836 PolarHBondContact N-O 2.81Å; H820-S836 PolarHBondContact O-N 3.2Å; S836-I848 WeakPolarHBondContact CB-O 3.04Å; S836-W849 WeakPolarHBondContact OG-CH2 3.13Å; S836-W849 VanDerWaalsContact OG-CZ2 3.29Å; S836-W849 WeakPolarHBondContact OG-CZ2 3.44Å |
| 837 | K | 81.1 | Confident | 70 | Confident | 74 Ų | 74 | 79 Ų | 79 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 137.9 | -176.9 | -172.3 | 161 | 173.7 | 166 | 0 | 111.4 | S812 F813 D817 S839 | S812-K837 WeakPolarHBondContact O-CD 3.29Å; S812-K837 PolarHBondContact O-NZ 3.33Å; F813-K837 HydrophobicContact CD1-CB 4.43Å; F813-K837 HydrophobicContact CE1-CB 3.88Å; F813-K837 HydrophobicContact CZ-CB 4.43Å; D817-K837 IonicContact OD1-NZ 2.85Å; D817-K837 WeakPolarHBondContact OD2-CE 3.3Å; D817-K837 IonicContact OD2-NZ 3.72Å; D817-K837 PolarHBondContact OD2-NZ 3.31Å; K837-S839 PolarHBondContact O-N 2.82Å |
| 838 | L | 67.8 | Low | 70.1 | Confident | 65 Ų | 65 | 83.4 Ų | 83.4 | 34% | 0.34 | 43% | 0.425 | S | S | . | . | trans | -69.4 | 114.3 | 179.6 | -158.1 | 82.8 | 0 | 0 | 0 | 110.4 | H818 H820 E840 | H818-L838 PolarHBondContact O-N 2.91Å; H820-L838 VanDerWaalsContact NE2-CD1 3.3Å; H820-L838 WeakPolarHBondContact NE2-CD1 3.49Å; L838-E840 PolarHBondContact O-N 3.49Å | ||
| 839 | S | 58.3 | Low | 70.8 | Confident | 69 Ų | 69 | 83.9 Ų | 83.9 | 48% | 0.483 | 42% | 0.421 | S | S | . | . | trans | -93 | 87.8 | -179.6 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | K837 K841 N842 | K837-S839 PolarHBondContact O-N 2.82Å; S839-K841 PolarHBondContact O-N 2.94Å; S839-N842 PolarHBondContact OG-N 2.87Å; S839-N842 PolarHBondContact OG-O 3.21Å | ||
| 840 | E | 53.7 | Low | 71.4 | Confident | 169 Ų | 169 | 81.7 Ų | 81.7 | 79% | 0.79 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.5 | 177.6 | -62.9 | -175 | 149.2 | 0 | 0 | 114.3 | L838 | L838-E840 PolarHBondContact O-N 3.49Š|
| 841 | K | 52 | Low | 71.7 | Confident | 183 Ų | 183 | 84.6 Ų | 84.6 | 80% | 0.796 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -4 | -165.6 | -67.1 | -174.5 | 179.1 | 177.9 | 0 | 116.1 | S839 | S839-K841 PolarHBondContact O-N 2.94Š|
| 842 | N | 46.5 | Very low | 71.9 | Confident | 89 Ų | 89 | 84.9 Ų | 84.9 | 48% | 0.476 | 43% | 0.427 | S | S | . | . | trans | -163.8 | 112.2 | 170.6 | -98 | -63.9 | 0 | 0 | 0 | 110.7 | S839 T844 | S839-N842 PolarHBondContact OG-N 2.87Å; S839-N842 PolarHBondContact OG-O 3.21Å; N842-T844 VanDerWaalsContact C-N 3.32Å | ||
| 843 | P | 53.3 | Low | 72.1 | Confident | 125 Ų | 125 | 82 Ų | 82 | 81% | 0.812 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -6.4 | 178 | 32.7 | -35 | 0 | 0 | 0 | 114 | ||
| 844 | T | 46.5 | Very low | 72.1 | Confident | 121 Ų | 121 | 81.7 Ų | 81.7 | 74% | 0.742 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -3.5 | -171 | 48.9 | 0 | 0 | 0 | 0 | 115.2 | N842 | N842-T844 VanDerWaalsContact C-N 3.32Š|
| 845 | K | 52.9 | Low | 71.8 | Confident | 165 Ų | 165 | 81.4 Ų | 81.4 | 72% | 0.717 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -86.6 | 137.7 | 172.5 | -74.9 | -171.2 | 173.9 | -175.2 | 0 | 110.4 | Q847 | K845-Q847 PolarHBondContact O-N 3.1Š|
| 846 | Q | 50.9 | Low | 71.5 | Confident | 191 Ų | 191 | 83.6 Ų | 83.6 | 89% | 0.893 | 42% | 0.422 | S | S | * | . | trans | -52.6 | 123.5 | 175.1 | -72.9 | 175.4 | -36.6 | 0 | 0 | 110.6 | I848 | Q846-I848 PolarHBondContact O-N 2.86Š| ||
| 847 | Q | 63.2 | Low | 71 | Confident | 108 Ų | 108 | 86.4 Ų | 86.4 | 51% | 0.505 | 45% | 0.445 | S | S | . | . | trans | -69.7 | 115.8 | 175.1 | -73.4 | 178.8 | -17.7 | 0 | 0 | 109.5 | K845 W849 | K845-Q847 PolarHBondContact O-N 3.1Å; Q847-W849 VanDerWaalsContact O-CD1 3.24Å; Q847-W849 PolarHBondContact O-N 3.13Å | ||
| 848 | I | 77.3 | Confident | 71.2 | Confident | 112 Ų | 112 | 83 Ų | 83 | 57% | 0.574 | 43% | 0.431 | S | S | * | . | trans | -76.3 | 117.9 | 171.1 | -56 | 177.5 | 0 | 0 | 0 | 107.6 | S836 Q846 V850 | S836-I848 WeakPolarHBondContact CB-O 3.04Å; Q846-I848 PolarHBondContact O-N 2.86Å; I848-V850 HydrophobicContact CG2-CG2 3.89Å | ||
| 849 | W | 86.6 | Confident | 71.5 | Confident | 90 Ų | 90 | 80 Ų | 80 | 34% | 0.341 | 42% | 0.415 | S | S | . | . | trans | -100 | 115 | 176.7 | -73.1 | 88.8 | 0 | 0 | 0 | 109.6 | H820 K822 K834 A835 S836 Q847 T869 | H820-W849 HydrophobicContact CB-CH2 4.18Å; K822-W849 HydrophobicContact CB-CE3 4.44Å; K822-W849 HydrophobicContact CB-CH2 4.22Å; K822-W849 HydrophobicContact CB-CZ3 3.72Å; K834-W849 HydrophobicContact CB-CB 4.24Å; K834-W849 HydrophobicContact CB-CE3 3.95Å; K834-W849 HydrophobicContact CD-CB 4.29Å; K834-W849 WeakPolarHBondContact O-CZ3 3.3Å; A835-W849 WeakPolarHBondContact O-CA 3.35Å; S836-W849 WeakPolarHBondContact OG-CH2 3.13Å; S836-W849 VanDerWaalsContact OG-CZ2 3.29Å; S836-W849 WeakPolarHBondContact OG-CZ2 3.44Å; Q847-W849 VanDerWaalsContact O-CD1 3.24Å; Q847-W849 PolarHBondContact O-N 3.13Å; W849-T869 HydrophobicContact CH2-CG2 4.11Å | ||
| 850 | V | 89 | Confident | 72 | Confident | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.012 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 143.6 | -174.5 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | L810 F813 K834 A835 I848 A852 | L810-V850 HydrophobicContact CD2-CG1 3.73Å; F813-V850 HydrophobicContact CE2-CB 4.42Å; F813-V850 HydrophobicContact CE2-CG2 3.78Å; F813-V850 HydrophobicContact CZ-CG2 4.08Å; K834-V850 CarbonylContact C-O 3.57Å; K834-V850 VanDerWaalsContact CA-O 3.3Å; K834-V850 WeakPolarHBondContact CA-O 3.3Å; A835-V850 PolarHBondContact N-O 3.03Å; A835-V850 PolarHBondContact O-N 3.07Å; I848-V850 HydrophobicContact CG2-CG2 3.89Å; V850-A852 PolarHBondContact O-N 3.32Å |
| 851 | P | 91.1 | Very high | 72.4 | Confident | 66 Ų | 66 | 78.5 Ų | 78.5 | 43% | 0.429 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 138.2 | 176.3 | -27.8 | 36.6 | 0 | 0 | 0 | 112.8 | R883 L884 | P851-R883 HydrophobicContact CB-CB 4.16Å; P851-R883 CarbonylContact O-C 3.53Å; P851-R883 WeakPolarHBondContact O-CA 3.23Å; P851-R883 WeakPolarHBondContact O-CB 3.49Å; P851-L884 PolarHBondContact O-N 3.45Å |
| 852 | A | 92 | Very high | 73.1 | Confident | 6 Ų | 6 | 75.7 Ų | 75.7 | 5% | 0.05 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 158.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F821 G833 A835 V850 L884 I886 | F821-A852 HydrophobicContact CD2-CB 3.96Å; F821-A852 HydrophobicContact CE2-CB 3.88Å; G833-A852 PolarHBondContact N-O 2.92Å; G833-A852 PolarHBondContact O-N 2.87Å; G833-A852 VanDerWaalsContact O-O 3.07Å; A835-A852 HydrophobicContact CB-CB 3.74Å; V850-A852 PolarHBondContact O-N 3.32Å; A852-L884 CarbonylContact C-O 3.5Å; A852-L884 VanDerWaalsContact CA-O 3.25Å; A852-L884 WeakPolarHBondContact CA-O 3.25Å; A852-L884 HydrophobicContact CB-CB 4.04Å; A852-I886 HydrophobicContact CB-CD1 3.61Å; A852-I886 HydrophobicContact CB-CG1 4.45Å |
| 853 | M | 91.8 | Very high | 74.1 | Confident | 5 Ų | 5 | 78.9 Ų | 78.9 | 3% | 0.025 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 150.8 | -178.8 | 59.3 | 171.1 | -77.3 | 0 | 0 | 112.4 | V830 I831 F832 Y855 R883 L884 E885 I886 | V830-M853 HydrophobicContact CG1-CB 3.76Å; V830-M853 HydrophobicContact CG1-CE 3.97Å; V830-M853 HydrophobicContact CG2-CE 4.04Å; I831-M853 CarbonylContact O-C 3.56Å; I831-M853 WeakPolarHBondContact O-CA 3.46Å; F832-M853 HydrophobicContact CD1-CB 4.31Å; F832-M853 HydrophobicContact CE1-CB 4.5Å; M853-Y855 HydrophobicContact CE-CD1 4.31Å; M853-Y855 HydrophobicContact CE-CD2 4.33Å; M853-Y855 HydrophobicContact CE-CE1 3.73Å; M853-Y855 HydrophobicContact CE-CE2 3.73Å; M853-Y855 WeakPolarHBondContact CE-OH 3.31Å; M853-R883 PolarHBondContact SD-NH1 2.92Å; M853-L884 PolarHBondContact N-O 3.39Å; M853-E885 HydrophobicContact CE-CG 4.48Å; M853-E885 HydrophobicContact CG-CG 4.05Å; M853-E885 WeakPolarHBondContact O-CA 3.29Å; M853-E885 HydrophobicContact SD-CG 4.18Å; M853-I886 PolarHBondContact O-N 2.85Å |
| 854 | V | 89.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 120.7 | 177.5 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | F821 V830 I831 N858 I886 L888 | F821-V854 HydrophobicContact CD1-CG2 4.12Å; F821-V854 HydrophobicContact CE1-CG2 3.78Å; F821-V854 HydrophobicContact CE2-CG2 4.42Å; F821-V854 HydrophobicContact CZ-CG2 3.94Å; V830-V854 WeakPolarHBondContact CA-O 3.49Å; I831-V854 HydrophobicContact CB-CB 4.26Å; I831-V854 PolarHBondContact N-O 3.05Å; I831-V854 PolarHBondContact O-N 2.89Å; V854-N858 HydrophobicContact CG1-CB 4.41Å; V854-I886 HydrophobicContact CG2-CB 3.72Å; V854-I886 HydrophobicContact CG2-CG2 3.88Å; V854-L888 HydrophobicContact CB-CD1 4.36Å; V854-L888 HydrophobicContact CB-CG 4.46Å; V854-L888 HydrophobicContact CG1-CB 4.46Å; V854-L888 HydrophobicContact CG1-CD1 4Å; V854-L888 HydrophobicContact CG1-CG 3.89Å; V854-L888 HydrophobicContact CG2-CD1 3.91Å; V854-L888 HydrophobicContact CG2-CD2 4.38Å; V854-L888 HydrophobicContact CG2-CG 3.82Å |
| 855 | Y | 86.5 | Confident | 76.7 | Confident | 68 Ų | 68 | 72.7 Ų | 72.7 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 138.7 | 169.5 | -65.5 | -77 | 0 | 0 | 0 | 110.1 | V830 M853 A857 N858 E885 V958 | V830-Y855 HydrophobicContact CG2-CD1 3.89Å; V830-Y855 HydrophobicContact CG2-CE1 4.07Å; M853-Y855 HydrophobicContact CE-CD1 4.31Å; M853-Y855 HydrophobicContact CE-CD2 4.33Å; M853-Y855 HydrophobicContact CE-CE1 3.73Å; M853-Y855 HydrophobicContact CE-CE2 3.73Å; M853-Y855 WeakPolarHBondContact CE-OH 3.31Å; Y855-A857 PolarHBondContact O-N 3.31Å; Y855-N858 WeakPolarHBondContact O-CA 3.42Å; Y855-N858 WeakPolarHBondContact O-CB 3.41Å; Y855-N858 PolarHBondContact O-N 2.87Å; Y855-E885 PolarHBondContact OH-OE1 3.03Å; Y855-V958 HydrophobicContact CD2-CG2 4.46Å |
| 856 | V | 83.3 | Confident | 78.1 | Confident | 47 Ų | 47 | 68.5 Ų | 68.5 | 29% | 0.285 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -59.3 | -32.4 | -179.8 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | S829 I831 N858 S859 | S829-V856 PolarHBondContact O-N 2.84Å; I831-V856 HydrophobicContact CG1-CG2 4.35Å; V856-N858 PolarHBondContact O-N 2.85Å; V856-N858 VanDerWaalsContact O-N 3.09Å; V856-S859 PolarHBondContact O-N 3.09Å; V856-S859 PolarHBondContact O-OG 3.16Å |
| 857 | A | 79.1 | Confident | 79.4 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 50% | 0.496 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -59.8 | -19.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y855 V958 | Y855-A857 PolarHBondContact O-N 3.31Å; A857-V958 HydrophobicContact CB-CB 4.28Å; A857-V958 HydrophobicContact CB-CG1 3.87Å |
| 858 | N | 84 | Confident | 80.5 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -97.9 | 4.2 | 175.6 | -73.2 | -28.7 | 0 | 0 | 0 | 113.5 | V854 Y855 V856 V887 L888 S889 L918 V958 | V854-N858 HydrophobicContact CG1-CB 4.41Å; Y855-N858 WeakPolarHBondContact O-CA 3.42Å; Y855-N858 WeakPolarHBondContact O-CB 3.41Å; Y855-N858 PolarHBondContact O-N 2.87Å; V856-N858 PolarHBondContact O-N 2.85Å; V856-N858 VanDerWaalsContact O-N 3.09Å; N858-V887 HydrophobicContact CB-CB 4.44Å; N858-V887 HydrophobicContact CB-CG1 4.27Å; N858-V887 HydrophobicContact CB-CG2 4.18Å; N858-L888 CarbonylContact O-C 3.6Å; N858-L888 PolarHBondContact O-N 2.66Å; N858-S889 VanDerWaalsContact C-OG 3.3Å; N858-S889 PolarHBondContact O-N 3.06Å; N858-S889 PolarHBondContact O-OG 3.48Å; N858-L918 PolarHBondContact ND2-O 2.97Å; N858-V958 WeakPolarHBondContact OD1-CG1 3.15Å |
| 859 | S | 74.7 | Confident | 80.9 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 11.8 | -174 | 81.8 | 0 | 0 | 0 | 0 | 114.7 | V856 N861 M862 Y864 | V856-S859 PolarHBondContact O-N 3.09Å; V856-S859 PolarHBondContact O-OG 3.16Å; S859-N861 PolarHBondContact O-N 2.93Å; S859-N861 VanDerWaalsContact O-N 3.09Å; S859-M862 PolarHBondContact O-N 2.95Å; S859-Y864 VanDerWaalsContact CB-CE2 3.47Å; S859-Y864 PolarHBondContact O-OH 3.36Å |
| 860 | N | 68.1 | Low | 81 | Confident | 65 Ų | 65 | 58.9 Ų | 58.9 | 35% | 0.348 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 21 | 176.3 | -79.9 | 4.4 | 0 | 0 | 0 | 115.5 | M862 S889 S890 | N860-M862 PolarHBondContact O-N 3.2Å; N860-S889 PolarHBondContact OD1-OG 3.15Å; N860-S890 PolarHBondContact ND2-N 2.83Å; N860-S890 PolarHBondContact ND2-OG 2.88Å |
| 861 | N | 62.7 | Low | 81 | Confident | 140 Ų | 140 | 60.9 Ų | 60.9 | 75% | 0.749 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 31.3 | -175 | -59 | 12.5 | 0 | 0 | 0 | 114 | S859 | S859-N861 PolarHBondContact O-N 2.93Å; S859-N861 VanDerWaalsContact O-N 3.09Å |
| 862 | M | 65.6 | Low | 80.9 | Confident | 124 Ų | 124 | 57.8 Ų | 57.8 | 61% | 0.611 | 32% | 0.322 | S | S | * | . | trans | -79.2 | 146 | 166.1 | -65.4 | -64.3 | -57.7 | 0 | 0 | 110.2 | S859 N860 Y864 | S859-M862 PolarHBondContact O-N 2.95Å; N860-M862 PolarHBondContact O-N 3.2Å; M862-Y864 HydrophobicContact CB-CD2 4.39Å; M862-Y864 HydrophobicContact CB-CE2 3.69Å; M862-Y864 WeakPolarHBondContact O-CD2 3.36Å; M862-Y864 WeakPolarHBondContact O-CE2 3.28Å | ||
| 863 | D | 69.1 | Low | 80.8 | Confident | 157 Ų | 157 | 57.6 Ų | 57.6 | 84% | 0.84 | 32% | 0.321 | S | S | * | . | trans | -77.8 | 130.6 | 167.3 | -66.4 | -49.8 | 0 | 0 | 0 | 110.2 | ||||
| 864 | Y | 75.1 | Confident | 80.8 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | trans | -111 | 124.4 | -175.5 | -72.9 | -91 | 0 | 0 | 0 | 111.4 | I831 S859 M862 Y870 L888 | I831-Y864 HydrophobicContact CD1-CD2 3.49Å; I831-Y864 VanDerWaalsContact CD1-CD2 3.49Å; I831-Y864 HydrophobicContact CD1-CE2 3.97Å; I831-Y864 HydrophobicContact CD1-CG 3.87Å; S859-Y864 VanDerWaalsContact CB-CE2 3.47Å; S859-Y864 PolarHBondContact O-OH 3.36Å; M862-Y864 HydrophobicContact CB-CD2 4.39Å; M862-Y864 HydrophobicContact CB-CE2 3.69Å; M862-Y864 WeakPolarHBondContact O-CD2 3.36Å; M862-Y864 WeakPolarHBondContact O-CE2 3.28Å; Y864-Y870 AromaticContact CD1-CD1 3.86Å; Y864-Y870 HydrophobicContact CD1-CD1 3.86Å; Y864-Y870 AromaticContact CD1-CD2 3.83Å; Y864-Y870 HydrophobicContact CD1-CD2 3.83Å; Y864-Y870 AromaticContact CD1-CE1 3.67Å; Y864-Y870 HydrophobicContact CD1-CE1 3.67Å; Y864-Y870 AromaticContact CD1-CE2 3.64Å; Y864-Y870 HydrophobicContact CD1-CE2 3.64Å; Y864-Y870 AromaticContact CD1-CG 3.93Å; Y864-Y870 HydrophobicContact CD1-CG 3.93Å; Y864-Y870 AromaticContact CD1-CZ 3.55Å; Y864-Y870 AromaticContact CE1-CD1 3.69Å; Y864-Y870 HydrophobicContact CE1-CD1 3.69Å; Y864-Y870 HydrophobicContact CE1-CD2 4.28Å; Y864-Y870 AromaticContact CE1-CE1 3.85Å; Y864-Y870 HydrophobicContact CE1-CE1 3.85Å; Y864-Y870 HydrophobicContact CE1-CE2 4.43Å; Y864-Y870 AromaticContact CE1-CG 3.92Å; Y864-Y870 HydrophobicContact CE1-CG 3.92Å; Y864-L888 HydrophobicContact CD1-CD1 4.03Å; Y864-L888 HydrophobicContact CE1-CB 4.4Å; Y864-L888 HydrophobicContact CE1-CD1 3.42Å; Y864-L888 VanDerWaalsContact CE1-CD1 3.42Å; Y864-L888 WeakPolarHBondContact OH-CB 3.44Å | ||
| 865 | V | 78.9 | Confident | 80.9 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 53% | 0.527 | 32% | 0.32 | S | S | . | . | trans | -83.8 | 127.1 | -178.4 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | Q868 Y870 | V865-Q868 HydrophobicContact CB-CB 4.13Å; V865-Q868 WeakPolarHBondContact O-CB 3.41Å; V865-Q868 PolarHBondContact O-N 3.44Å; V865-Q868 VanDerWaalsContact O-N 3.13Å; V865-Y870 PolarHBondContact N-OH 2.97Å | ||
| 866 | V | 81.5 | Confident | 81.1 | Confident | 78 Ų | 78 | 54.7 Ų | 54.7 | 47% | 0.473 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 141.3 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | V823 Q868 | V823-V866 HydrophobicContact CG1-CG2 4.34Å; V866-Q868 PolarHBondContact O-N 3.18Å |
| 867 | S | 79.5 | Confident | 81.4 | Confident | 77 Ų | 77 | 53 Ų | 53 | 54% | 0.538 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | -9.8 | -169.9 | -60.7 | 0 | 0 | 0 | 0 | 117.5 | K822 V823 | K822-S867 VanDerWaalsContact CE-O 3.28Å; K822-S867 WeakPolarHBondContact CE-O 3.35Å; V823-S867 VanDerWaalsContact O-CA 3.32Å; V823-S867 WeakPolarHBondContact O-CA 3.41Å; V823-S867 PolarHBondContact O-N 3.16Å |
| 868 | Q | 85 | Confident | 81.9 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 44% | 0.444 | 28% | 0.278 | S | S | . | . | trans | -76.9 | 148.8 | 174.7 | -174.5 | 169.5 | -4.6 | 0 | 0 | 111.9 | K822 V823 V865 V866 Y870 | K822-Q868 WeakPolarHBondContact CA-O 3.47Å; V823-Q868 PolarHBondContact N-O 3.34Å; V823-Q868 VanDerWaalsContact N-O 3.11Å; V865-Q868 HydrophobicContact CB-CB 4.13Å; V865-Q868 WeakPolarHBondContact O-CB 3.41Å; V865-Q868 PolarHBondContact O-N 3.44Å; V865-Q868 VanDerWaalsContact O-N 3.13Å; V866-Q868 PolarHBondContact O-N 3.18Å; Q868-Y870 HydrophobicContact CB-CE2 3.7Å; Q868-Y870 HydrophobicContact CG-CD2 4.48Å; Q868-Y870 HydrophobicContact CG-CE1 4.46Å; Q868-Y870 HydrophobicContact CG-CE2 3.78Å; Q868-Y870 PolarHBondContact OE1-OH 3.42Å | ||
| 869 | T | 86.6 | Confident | 82.1 | Confident | 79 Ų | 79 | 50.9 Ų | 50.9 | 49% | 0.485 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.4 | 175.6 | 41.9 | 0 | 0 | 0 | 0 | 112.2 | F821 K822 W849 | F821-T869 CarbonylContact O-C 3.56Å; F821-T869 WeakPolarHBondContact O-CA 3.22Å; K822-T869 HydrophobicContact CB-CG2 3.83Å; K822-T869 HydrophobicContact CG-CG2 4.12Å; W849-T869 HydrophobicContact CH2-CG2 4.11Å |
| 870 | Y | 88.6 | Confident | 82.5 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 19% | 0.188 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 158.7 | -179.6 | -61.2 | -91.7 | 0 | 0 | 0 | 110.6 | H820 F821 V823 Y864 V865 Q868 | H820-Y870 CarbonylContact C-O 3.57Å; H820-Y870 WeakPolarHBondContact CA-O 3.32Å; F821-Y870 PolarHBondContact N-O 2.92Å; F821-Y870 PolarHBondContact O-N 3.1Å; V823-Y870 HydrophobicContact CG2-CD2 3.86Å; V823-Y870 HydrophobicContact CG2-CE2 3.77Å; Y864-Y870 AromaticContact CD1-CD1 3.86Å; Y864-Y870 HydrophobicContact CD1-CD1 3.86Å; Y864-Y870 AromaticContact CD1-CD2 3.83Å; Y864-Y870 HydrophobicContact CD1-CD2 3.83Å; Y864-Y870 AromaticContact CD1-CE1 3.67Å; Y864-Y870 HydrophobicContact CD1-CE1 3.67Å; Y864-Y870 AromaticContact CD1-CE2 3.64Å; Y864-Y870 HydrophobicContact CD1-CE2 3.64Å; Y864-Y870 AromaticContact CD1-CG 3.93Å; Y864-Y870 HydrophobicContact CD1-CG 3.93Å; Y864-Y870 AromaticContact CD1-CZ 3.55Å; Y864-Y870 AromaticContact CE1-CD1 3.69Å; Y864-Y870 HydrophobicContact CE1-CD1 3.69Å; Y864-Y870 HydrophobicContact CE1-CD2 4.28Å; Y864-Y870 AromaticContact CE1-CE1 3.85Å; Y864-Y870 HydrophobicContact CE1-CE1 3.85Å; Y864-Y870 HydrophobicContact CE1-CE2 4.43Å; Y864-Y870 AromaticContact CE1-CG 3.92Å; Y864-Y870 HydrophobicContact CE1-CG 3.92Å; V865-Y870 PolarHBondContact N-OH 2.97Å; Q868-Y870 HydrophobicContact CB-CE2 3.7Å; Q868-Y870 HydrophobicContact CG-CD2 4.48Å; Q868-Y870 HydrophobicContact CG-CE1 4.46Å; Q868-Y870 HydrophobicContact CG-CE2 3.78Å; Q868-Y870 PolarHBondContact OE1-OH 3.42Å |
| 871 | S | 88.1 | Confident | 83.3 | Confident | 44 Ų | 44 | 57.2 Ų | 57.2 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 135.6 | 170.4 | 161.1 | 0 | 0 | 0 | 0 | 109.8 | H818 L888 V893 | H818-S871 PolarHBondContact NE2-OG 3.38Å; S871-L888 VanDerWaalsContact O-CD2 3.3Å; S871-L888 WeakPolarHBondContact O-CD2 3.28Å; S871-V893 WeakPolarHBondContact OG-CG1 3.24Å |
| 872 | G | 88.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 169.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V819 V887 | V819-G872 WeakPolarHBondContact CG2-O 3.36Å; V819-G872 PolarHBondContact N-O 3.49Å; V819-G872 PolarHBondContact O-N 2.85Å; G872-V887 VanDerWaalsContact CA-O 3.26Å; G872-V887 WeakPolarHBondContact CA-O 3.17Å |
| 873 | I | 91 | Very high | 85.7 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.5 | 178.5 | -60.7 | 154 | 0 | 0 | 0 | 108.9 | C875 I886 V887 L892 V893 I896 L938 | I873-C875 PolarHBondContact O-N 2.88Å; I873-I886 CarbonylContact O-C 3.59Å; I873-I886 VanDerWaalsContact O-CA 3.32Å; I873-I886 WeakPolarHBondContact O-CA 3.48Å; I873-V887 PolarHBondContact N-O 3.04Å; I873-V887 PolarHBondContact O-N 3.4Å; I873-L892 HydrophobicContact CD1-CB 4.25Å; I873-L892 HydrophobicContact CD1-CD2 3.76Å; I873-L892 HydrophobicContact CD1-CG 3.67Å; I873-V893 HydrophobicContact CD1-CB 4.44Å; I873-V893 HydrophobicContact CD1-CG2 3.9Å; I873-V893 HydrophobicContact CG1-CG2 4.28Å; I873-I896 HydrophobicContact CD1-CD1 3.52Å; I873-I896 HydrophobicContact CD1-CG1 4.14Å; I873-I896 HydrophobicContact CG1-CD1 4.08Å; I873-I896 HydrophobicContact CG2-CD1 4.19Å; I873-L938 HydrophobicContact CG2-CD1 4.37Å |
| 874 | V | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 118.1 | 173.6 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | F813 G816 D817 V819 I877 L884 E885 | F813-V874 HydrophobicContact CD1-CG2 4.35Å; G816-V874 PolarHBondContact N-O 2.86Å; D817-V874 HydrophobicContact CB-CG2 4.46Å; D817-V874 PolarHBondContact O-N 3.03Å; V819-V874 HydrophobicContact CG1-CG2 3.78Å; V819-V874 HydrophobicContact CG2-CG2 4.15Å; V874-I877 HydrophobicContact CG1-CD1 4.48Å; V874-I877 HydrophobicContact CG1-CG1 3.89Å; V874-L884 HydrophobicContact CG1-CD2 4.05Å; V874-L884 HydrophobicContact CG2-CD1 4.37Å; V874-L884 HydrophobicContact CG2-CD2 4.4Å; V874-E885 WeakPolarHBondContact CA-O 3.12Å |
| 875 | C | 90.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -25 | 176.6 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | I873 E885 V887 L918 A919 | I873-C875 PolarHBondContact O-N 2.88Å; C875-E885 PolarHBondContact N-O 2.83Å; C875-E885 PolarHBondContact SG-O 3.45Å; C875-E885 VanDerWaalsContact SG-O 3.33Å; C875-V887 HydrophobicContact CB-CG2 3.79Å; C875-L918 HydrophobicContact CB-CB 4.21Å; C875-A919 HydrophobicContact CB-CB 4.29Å |
| 876 | F | 90.8 | Very high | 88.2 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 4% | 0.044 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157.8 | 173.2 | -167.9 | -94.9 | 0 | 0 | 0 | 111.2 | E885 A919 R921 I925 | F876-E885 HydrophobicContact CB-CB 4.02Å; F876-E885 HydrophobicContact CB-CG 4.26Å; F876-E885 WeakPolarHBondContact CB-OE2 3.2Å; F876-E885 PolarHBondContact N-O 3.42Å; F876-E885 PolarHBondContact O-N 2.87Å; F876-A919 HydrophobicContact CB-CB 4.12Å; F876-R921 HydrophobicContact CD2-CG 4.46Å; F876-R921 HydrophobicContact CE1-CG 4.24Å; F876-R921 HydrophobicContact CE2-CG 3.85Å; F876-R921 HydrophobicContact CZ-CG 3.74Å; F876-I925 HydrophobicContact CE2-CD1 4.22Å; F876-I925 HydrophobicContact CE2-CG1 4.39Å |
| 877 | I | 90.8 | Very high | 88.6 | Confident | 11 Ų | 11 | 31.9 Ų | 31.9 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 103.4 | -179.4 | -54.7 | 179.9 | 0 | 0 | 0 | 109 | L810 F813 V874 H879 L884 | L810-I877 HydrophobicContact CB-CG2 4.14Å; L810-I877 HydrophobicContact CD1-CG2 3.84Å; L810-I877 HydrophobicContact CD2-CG2 4.2Å; L810-I877 HydrophobicContact CG-CG2 4.31Å; F813-I877 HydrophobicContact CB-CD1 4.13Å; F813-I877 VanDerWaalsContact O-CD1 3.26Å; F813-I877 WeakPolarHBondContact O-CD1 3.43Å; V874-I877 HydrophobicContact CG1-CD1 4.48Å; V874-I877 HydrophobicContact CG1-CG1 3.89Å; I877-H879 WeakPolarHBondContact CG2-CE1 3.44Å; I877-H879 PolarHBondContact O-N 3.13Å; I877-H879 VanDerWaalsContact O-N 3.16Å; I877-H879 PolarHBondContact O-ND1 3.29Å; I877-L884 HydrophobicContact CG1-CD2 4Å; I877-L884 HydrophobicContact CG2-CD2 4.21Å |
| 878 | D | 88.5 | Confident | 89 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 6% | 0.059 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 87.7 | -178.6 | -176.7 | -9.4 | 0 | 0 | 0 | 109.8 | E880 Q881 S882 R883 | D878-E880 PolarHBondContact O-N 3.28Å; D878-E880 PolarHBondContact OD1-N 3.49Å; D878-E880 VanDerWaalsContact OD1-N 3.13Å; D878-Q881 PolarHBondContact OD1-N 3.36Å; D878-S882 WeakPolarHBondContact O-CA 3.48Å; D878-S882 PolarHBondContact O-N 3.47Å; D878-R883 WeakPolarHBondContact CA-O 3.49Å; D878-R883 HydrophobicContact CB-CG 3.75Å; D878-R883 WeakPolarHBondContact CB-O 3.36Å; D878-R883 PolarHBondContact N-O 3.49Å; D878-R883 PolarHBondContact O-N 3.48Å; D878-R883 IonicContact OD2-CZ 3.99Å; D878-R883 IonicContact OD2-NE 2.63Å; D878-R883 PolarHBondContact OD2-NE 3.15Å; D878-R883 IonicContact OD2-NH2 3.79Å; D878-R883 PolarHBondContact OD2-NH2 3.43Å |
| 879 | H | 87.7 | Confident | 89.1 | Confident | 8 Ų | 8 | 24.3 Ų | 24.3 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -8.7 | 177.8 | -62 | 85.3 | 0 | 0 | 0 | 113.5 | L622 I803 S804 H807 I877 | L622-H879 HydrophobicContact CD1-CB 3.93Å; L622-H879 HydrophobicContact CD2-CB 4.1Å; L622-H879 WeakPolarHBondContact CD2-O 3.48Å; I803-H879 HydrophobicContact CG2-CB 4.06Å; S804-H879 WeakPolarHBondContact CA-NE2 3.27Å; S804-H879 WeakPolarHBondContact CB-NE2 3.4Å; H807-H879 AromaticContact CD2-CD2 3.82Å; I877-H879 WeakPolarHBondContact CG2-CE1 3.44Å; I877-H879 PolarHBondContact O-N 3.13Å; I877-H879 VanDerWaalsContact O-N 3.16Å; I877-H879 PolarHBondContact O-ND1 3.29Å |
| 880 | E | 84.1 | Confident | 89 | Confident | 80 Ų | 80 | 23.6 Ų | 23.6 | 37% | 0.374 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -35.9 | 177.7 | -71.5 | 170.6 | -138.8 | 0 | 0 | 111.2 | L622 R800 D878 | L622-E880 HydrophobicContact CD1-CG 4.1Å; L622-E880 HydrophobicContact CD2-CG 3.82Å; L622-E880 HydrophobicContact CG-CG 4.05Å; R800-E880 IonicContact NH2-OE1 2.64Å; D878-E880 PolarHBondContact O-N 3.28Å; D878-E880 PolarHBondContact OD1-N 3.49Å; D878-E880 VanDerWaalsContact OD1-N 3.13Å |
| 881 | Q | 84.3 | Confident | 89 | Confident | 120 Ų | 120 | 23.8 Ų | 23.8 | 56% | 0.561 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 11.5 | 176.4 | -51.2 | -168.3 | 21.3 | 0 | 0 | 113.5 | D878 R883 | D878-Q881 PolarHBondContact OD1-N 3.36Å; Q881-R883 VanDerWaalsContact C-N 3.32Å; Q881-R883 HydrophobicContact CB-CG 4.09Å; Q881-R883 PolarHBondContact O-N 2.96Å |
| 882 | S | 87.4 | Confident | 88.9 | Confident | 40 Ų | 40 | 21.7 Ų | 21.7 | 28% | 0.28 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 42.8 | 178.8 | -60.3 | 0 | 0 | 0 | 0 | 115 | H807 D878 | H807-S882 PolarHBondContact CE1-OG 3.45Å; H807-S882 PolarHBondContact NE2-OG 2.91Å; D878-S882 WeakPolarHBondContact O-CA 3.48Å; D878-S882 PolarHBondContact O-N 3.47Å |
| 883 | R | 91 | Very high | 88.8 | Confident | 40 Ų | 40 | 22.2 Ų | 22.2 | 15% | 0.151 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 163.2 | -174.3 | 68 | -173.9 | 178.9 | 165.2 | 4.8 | 113.9 | P851 M853 D878 Q881 | P851-R883 HydrophobicContact CB-CB 4.16Å; P851-R883 CarbonylContact O-C 3.53Å; P851-R883 WeakPolarHBondContact O-CA 3.23Å; P851-R883 WeakPolarHBondContact O-CB 3.49Å; M853-R883 PolarHBondContact SD-NH1 2.92Å; D878-R883 WeakPolarHBondContact CA-O 3.49Å; D878-R883 HydrophobicContact CB-CG 3.75Å; D878-R883 WeakPolarHBondContact CB-O 3.36Å; D878-R883 PolarHBondContact N-O 3.49Å; D878-R883 PolarHBondContact O-N 3.48Å; D878-R883 IonicContact OD2-CZ 3.99Å; D878-R883 IonicContact OD2-NE 2.63Å; D878-R883 PolarHBondContact OD2-NE 3.15Å; D878-R883 IonicContact OD2-NH2 3.79Å; D878-R883 PolarHBondContact OD2-NH2 3.43Å; Q881-R883 VanDerWaalsContact C-N 3.32Å; Q881-R883 HydrophobicContact CB-CG 4.09Å; Q881-R883 PolarHBondContact O-N 2.96Å |
| 884 | L | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.4 | 176.4 | -61.8 | 168.5 | 0 | 0 | 0 | 111.6 | L810 F813 A835 P851 A852 M853 V874 I877 I886 | L810-L884 HydrophobicContact CD2-CD2 3.67Å; L810-L884 HydrophobicContact CD2-CG 3.83Å; F813-L884 HydrophobicContact CB-CD2 3.89Å; F813-L884 HydrophobicContact CD1-CD1 3.59Å; F813-L884 HydrophobicContact CD1-CD2 4.33Å; F813-L884 HydrophobicContact CD2-CD1 4.18Å; F813-L884 HydrophobicContact CD2-CD2 4.4Å; F813-L884 HydrophobicContact CE1-CD1 3.58Å; F813-L884 HydrophobicContact CE2-CD1 4.2Å; F813-L884 HydrophobicContact CG-CD1 3.9Å; F813-L884 HydrophobicContact CG-CD2 3.97Å; F813-L884 HydrophobicContact CZ-CD1 3.9Å; A835-L884 HydrophobicContact CB-CD1 4.23Å; P851-L884 PolarHBondContact O-N 3.45Å; A852-L884 CarbonylContact C-O 3.5Å; A852-L884 VanDerWaalsContact CA-O 3.25Å; A852-L884 WeakPolarHBondContact CA-O 3.25Å; A852-L884 HydrophobicContact CB-CB 4.04Å; M853-L884 PolarHBondContact N-O 3.39Å; V874-L884 HydrophobicContact CG1-CD2 4.05Å; V874-L884 HydrophobicContact CG2-CD1 4.37Å; V874-L884 HydrophobicContact CG2-CD2 4.4Å; I877-L884 HydrophobicContact CG1-CD2 4Å; I877-L884 HydrophobicContact CG2-CD2 4.21Å; L884-I886 HydrophobicContact CB-CD1 4.48Å; L884-I886 HydrophobicContact CB-CG1 4.34Å |
| 885 | E | 91.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.2 | 162.3 | -60.9 | -169.6 | 157.7 | 0 | 0 | 109.3 | M853 Y855 V874 C875 F876 R921 | M853-E885 HydrophobicContact CE-CG 4.48Å; M853-E885 HydrophobicContact CG-CG 4.05Å; M853-E885 WeakPolarHBondContact O-CA 3.29Å; M853-E885 HydrophobicContact SD-CG 4.18Å; Y855-E885 PolarHBondContact OH-OE1 3.03Å; V874-E885 WeakPolarHBondContact CA-O 3.12Å; C875-E885 PolarHBondContact N-O 2.83Å; C875-E885 PolarHBondContact SG-O 3.45Å; C875-E885 VanDerWaalsContact SG-O 3.33Å; F876-E885 HydrophobicContact CB-CB 4.02Å; F876-E885 HydrophobicContact CB-CG 4.26Å; F876-E885 WeakPolarHBondContact CB-OE2 3.2Å; F876-E885 PolarHBondContact N-O 3.42Å; F876-E885 PolarHBondContact O-N 2.87Å; E885-R921 VanDerWaalsContact CD-NH1 3.3Å; E885-R921 IonicContact OE1-CZ 3.66Å; E885-R921 IonicContact OE1-NH1 3.35Å; E885-R921 PolarHBondContact OE1-NH1 3.37Å; E885-R921 IonicContact OE1-NH2 3.45Å; E885-R921 PolarHBondContact OE1-NH2 3.45Å; E885-R921 IonicContact OE2-CZ 2.68Å; E885-R921 IonicContact OE2-NH1 3.17Å; E885-R921 PolarHBondContact OE2-NH1 3.01Å; E885-R921 IonicContact OE2-NH2 3.23Å |
| 886 | I | 92.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 149.7 | -172.2 | -66.7 | 172.4 | 0 | 0 | 0 | 111 | V819 F821 A835 A852 M853 V854 I873 L884 L888 | V819-I886 HydrophobicContact CG2-CD1 3.7Å; V819-I886 HydrophobicContact CG2-CG1 4.13Å; V819-I886 HydrophobicContact CG2-CG2 4.4Å; F821-I886 HydrophobicContact CB-CD1 4.31Å; F821-I886 HydrophobicContact CD2-CD1 3.94Å; F821-I886 HydrophobicContact CG-CD1 4.39Å; A835-I886 HydrophobicContact CB-CD1 3.49Å; A835-I886 VanDerWaalsContact CB-CD1 3.49Å; A852-I886 HydrophobicContact CB-CD1 3.61Å; A852-I886 HydrophobicContact CB-CG1 4.45Å; M853-I886 PolarHBondContact O-N 2.85Å; V854-I886 HydrophobicContact CG2-CB 3.72Å; V854-I886 HydrophobicContact CG2-CG2 3.88Å; I873-I886 CarbonylContact O-C 3.59Å; I873-I886 VanDerWaalsContact O-CA 3.32Å; I873-I886 WeakPolarHBondContact O-CA 3.48Å; L884-I886 HydrophobicContact CB-CD1 4.48Å; L884-I886 HydrophobicContact CB-CG1 4.34Å; I886-L888 HydrophobicContact CG2-CD2 3.91Å; I886-L888 HydrophobicContact CG2-CG 4.49Å |
| 887 | V | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.7 | 169.4 | 175.5 | 0 | 0 | 0 | 0 | 109.6 | N858 G872 I873 C875 L892 L918 | N858-V887 HydrophobicContact CB-CB 4.44Å; N858-V887 HydrophobicContact CB-CG1 4.27Å; N858-V887 HydrophobicContact CB-CG2 4.18Å; G872-V887 VanDerWaalsContact CA-O 3.26Å; G872-V887 WeakPolarHBondContact CA-O 3.17Å; I873-V887 PolarHBondContact N-O 3.04Å; I873-V887 PolarHBondContact O-N 3.4Å; C875-V887 HydrophobicContact CB-CG2 3.79Å; V887-L892 HydrophobicContact CB-CD2 4.23Å; V887-L892 HydrophobicContact CG1-CD2 3.79Å; V887-L918 HydrophobicContact CG1-CD2 4.41Å; V887-L918 HydrophobicContact CG2-CB 3.99Å; V887-L918 HydrophobicContact CG2-CD1 4.33Å; V887-L918 HydrophobicContact CG2-CD2 4.1Å; V887-L918 HydrophobicContact CG2-CG 4.36Å |
| 888 | L | 88.5 | Confident | 87.1 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | trans | -106 | 3.9 | 175 | -57.3 | 179.4 | 0 | 0 | 0 | 112.7 | F821 V854 N858 Y864 S871 I886 S890 | F821-L888 HydrophobicContact CB-CD2 4.32Å; F821-L888 HydrophobicContact CD1-CD1 3.9Å; F821-L888 HydrophobicContact CD1-CD2 4.17Å; F821-L888 HydrophobicContact CE1-CD1 4.15Å; V854-L888 HydrophobicContact CB-CD1 4.36Å; V854-L888 HydrophobicContact CB-CG 4.46Å; V854-L888 HydrophobicContact CG1-CB 4.46Å; V854-L888 HydrophobicContact CG1-CD1 4Å; V854-L888 HydrophobicContact CG1-CG 3.89Å; V854-L888 HydrophobicContact CG2-CD1 3.91Å; V854-L888 HydrophobicContact CG2-CD2 4.38Å; V854-L888 HydrophobicContact CG2-CG 3.82Å; N858-L888 CarbonylContact O-C 3.6Å; N858-L888 PolarHBondContact O-N 2.66Å; Y864-L888 HydrophobicContact CD1-CD1 4.03Å; Y864-L888 HydrophobicContact CE1-CB 4.4Å; Y864-L888 HydrophobicContact CE1-CD1 3.42Å; Y864-L888 VanDerWaalsContact CE1-CD1 3.42Å; Y864-L888 WeakPolarHBondContact OH-CB 3.44Å; S871-L888 VanDerWaalsContact O-CD2 3.3Å; S871-L888 WeakPolarHBondContact O-CD2 3.28Å; I886-L888 HydrophobicContact CG2-CD2 3.91Å; I886-L888 HydrophobicContact CG2-CG 4.49Å; L888-S890 PolarHBondContact O-N 2.86Å; L888-S890 VanDerWaalsContact O-N 3.09Å | ||
| 889 | S | 86.7 | Confident | 86.5 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | trans | -59 | 111.1 | -179.2 | -69.5 | 0 | 0 | 0 | 0 | 111.8 | N858 N860 W891 L892 V893 | N858-S889 VanDerWaalsContact C-OG 3.3Å; N858-S889 PolarHBondContact O-N 3.06Å; N858-S889 PolarHBondContact O-OG 3.48Å; N860-S889 PolarHBondContact OD1-OG 3.15Å; S889-W891 PolarHBondContact O-N 3.18Å; S889-W891 VanDerWaalsContact O-N 3.09Å; S889-L892 PolarHBondContact O-N 2.96Å; S889-V893 PolarHBondContact O-N 3.29Å; S889-V893 VanDerWaalsContact O-N 3.16Å | ||
| 890 | S | 84.3 | Confident | 85.8 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 44% | 0.441 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55 | -32.4 | -177.6 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | N860 L888 L892 N894 | N860-S890 PolarHBondContact ND2-N 2.83Å; N860-S890 PolarHBondContact ND2-OG 2.88Å; L888-S890 PolarHBondContact O-N 2.86Å; L888-S890 VanDerWaalsContact O-N 3.09Å; S890-L892 VanDerWaalsContact C-N 3.28Å; S890-L892 PolarHBondContact O-N 3.49Å; S890-N894 WeakPolarHBondContact O-CB 3.25Å; S890-N894 PolarHBondContact O-N 3.4Å; S890-N894 PolarHBondContact O-OD1 3.04Å |
| 891 | W | 88.2 | Confident | 85 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 20% | 0.197 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -36.2 | 176.2 | 78.7 | -94.9 | 0 | 0 | 0 | 112.5 | S889 S895 V916 L918 R931 | S889-W891 PolarHBondContact O-N 3.18Å; S889-W891 VanDerWaalsContact O-N 3.09Å; W891-S895 VanDerWaalsContact O-CB 3.25Å; W891-S895 WeakPolarHBondContact O-CB 3.5Å; W891-S895 PolarHBondContact O-N 3.46Å; W891-S895 PolarHBondContact O-OG 3.21Å; W891-V916 HydrophobicContact CH2-CB 4.38Å; W891-V916 HydrophobicContact CH2-CG2 4.17Å; W891-V916 HydrophobicContact CZ2-CB 4.08Å; W891-V916 HydrophobicContact CZ2-CG2 4.03Å; W891-L918 HydrophobicContact CZ2-CD2 4.42Å; W891-R931 VanDerWaalsContact CD2-NH2 3.31Å; W891-R931 HydrophobicContact CE3-CG 4.37Å; W891-R931 HydrophobicContact CH2-CG 3.86Å; W891-R931 HydrophobicContact CZ3-CG 3.58Å |
| 892 | L | 87.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -82.4 | -46.6 | -178.9 | -172.5 | 71.7 | 0 | 0 | 0 | 110.6 | I873 V887 S889 S890 N894 S895 I896 L918 L938 | I873-L892 HydrophobicContact CD1-CB 4.25Å; I873-L892 HydrophobicContact CD1-CD2 3.76Å; I873-L892 HydrophobicContact CD1-CG 3.67Å; V887-L892 HydrophobicContact CB-CD2 4.23Å; V887-L892 HydrophobicContact CG1-CD2 3.79Å; S889-L892 PolarHBondContact O-N 2.96Å; S890-L892 VanDerWaalsContact C-N 3.28Å; S890-L892 PolarHBondContact O-N 3.49Å; L892-N894 PolarHBondContact O-N 3.28Å; L892-S895 PolarHBondContact O-N 3.08Å; L892-S895 VanDerWaalsContact O-N 3.11Å; L892-I896 PolarHBondContact O-N 3.01Å; L892-L918 HydrophobicContact CD2-CD1 3.62Å; L892-L918 HydrophobicContact CD2-CD2 4.22Å; L892-L938 HydrophobicContact CD1-CD2 4.28Å; L892-L938 HydrophobicContact CD2-CD2 4.27Å |
| 893 | V | 85.5 | Confident | 83.2 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.4 | -50.3 | 175.8 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | S871 I873 S889 S895 I896 N897 | S871-V893 WeakPolarHBondContact OG-CG1 3.24Å; I873-V893 HydrophobicContact CD1-CB 4.44Å; I873-V893 HydrophobicContact CD1-CG2 3.9Å; I873-V893 HydrophobicContact CG1-CG2 4.28Å; S889-V893 PolarHBondContact O-N 3.29Å; S889-V893 VanDerWaalsContact O-N 3.16Å; V893-S895 VanDerWaalsContact C-N 3.34Å; V893-S895 PolarHBondContact O-N 3.34Å; V893-I896 PolarHBondContact O-N 3.08Å; V893-N897 WeakPolarHBondContact O-CB 3.24Å; V893-N897 PolarHBondContact O-N 3.27Å; V893-N897 PolarHBondContact O-OD1 2.97Å |
| 894 | N | 85.5 | Confident | 81.8 | Confident | 96 Ų | 96 | 61.2 Ų | 61.2 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 177.5 | -64.7 | -3.6 | 0 | 0 | 0 | 111.9 | S890 L892 N897 T898 | S890-N894 WeakPolarHBondContact O-CB 3.25Å; S890-N894 PolarHBondContact O-N 3.4Å; S890-N894 PolarHBondContact O-OD1 3.04Å; L892-N894 PolarHBondContact O-N 3.28Å; N894-N897 PolarHBondContact O-N 2.77Å; N894-T898 WeakPolarHBondContact O-CB 3.41Å; N894-T898 WeakPolarHBondContact O-CG2 3.39Å; N894-T898 PolarHBondContact O-N 2.7Å; N894-T898 PolarHBondContact O-OG1 2.84Å |
| 895 | S | 84.7 | Confident | 80.6 | Confident | 25 Ų | 25 | 62 Ų | 62 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 177.8 | -64.7 | 0 | 0 | 0 | 0 | 112.7 | W891 L892 V893 R899 | W891-S895 VanDerWaalsContact O-CB 3.25Å; W891-S895 WeakPolarHBondContact O-CB 3.5Å; W891-S895 PolarHBondContact O-N 3.46Å; W891-S895 PolarHBondContact O-OG 3.21Å; L892-S895 PolarHBondContact O-N 3.08Å; L892-S895 VanDerWaalsContact O-N 3.11Å; V893-S895 VanDerWaalsContact C-N 3.34Å; V893-S895 PolarHBondContact O-N 3.34Å; S895-R899 WeakPolarHBondContact O-CB 3.21Å; S895-R899 PolarHBondContact O-N 2.99Å |
| 896 | I | 83.8 | Confident | 79.7 | Confident | 45 Ų | 45 | 65 Ų | 65 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.5 | -50.3 | 173.6 | -64.8 | -167.6 | 0 | 0 | 0 | 109.6 | I873 L892 V893 T898 R899 | I873-I896 HydrophobicContact CD1-CD1 3.52Å; I873-I896 HydrophobicContact CD1-CG1 4.14Å; I873-I896 HydrophobicContact CG1-CD1 4.08Å; I873-I896 HydrophobicContact CG2-CD1 4.19Å; L892-I896 PolarHBondContact O-N 3.01Å; V893-I896 PolarHBondContact O-N 3.08Å; I896-T898 PolarHBondContact O-N 2.98Å; I896-T898 VanDerWaalsContact O-N 3.16Å; I896-R899 PolarHBondContact O-N 2.74Å |
| 897 | N | 82 | Confident | 79.1 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 54% | 0.54 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -22.2 | -176.2 | -65.8 | -5.5 | 0 | 0 | 0 | 114.3 | V893 N894 | V893-N897 WeakPolarHBondContact O-CB 3.24Å; V893-N897 PolarHBondContact O-N 3.27Å; V893-N897 PolarHBondContact O-OD1 2.97Å; N894-N897 PolarHBondContact O-N 2.77Å |
| 898 | T | 82.8 | Confident | 78.7 | Confident | 108 Ų | 108 | 73.7 Ų | 73.7 | 66% | 0.663 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -102.2 | -5.6 | -179.9 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | N894 I896 K900 | N894-T898 WeakPolarHBondContact O-CB 3.41Å; N894-T898 WeakPolarHBondContact O-CG2 3.39Å; N894-T898 PolarHBondContact O-N 2.7Å; N894-T898 PolarHBondContact O-OG1 2.84Å; I896-T898 PolarHBondContact O-N 2.98Å; I896-T898 VanDerWaalsContact O-N 3.16Å; T898-K900 PolarHBondContact O-N 2.9Å |
| 899 | R | 77.4 | Confident | 78.4 | Confident | 63 Ų | 63 | 80 Ų | 80 | 24% | 0.238 | 42% | 0.417 | C | S | . | . | trans | -69.6 | 126.8 | -173.5 | -172.2 | 172.7 | 175.6 | 99.4 | 7.8 | 111.6 | S895 I896 S905 A934 A935 | S895-R899 WeakPolarHBondContact O-CB 3.21Å; S895-R899 PolarHBondContact O-N 2.99Å; I896-R899 PolarHBondContact O-N 2.74Å; R899-S905 PolarHBondContact NH2-O 3.16Å; R899-A934 PolarHBondContact NH1-O 2.87Å; R899-A935 PolarHBondContact NH1-O 3Å | ||
| 900 | K | 71.9 | Confident | 78.1 | Confident | 166 Ų | 166 | 84.4 Ų | 84.4 | 72% | 0.722 | 44% | 0.436 | S | S | * | . | trans | -116.1 | 135.5 | 167.2 | -64 | -175 | 179.3 | -176.7 | 0 | 109.3 | T898 N902 | T898-K900 PolarHBondContact O-N 2.9Å; K900-N902 PolarHBondContact O-N 3.04Å | ||
| 901 | E | 67.3 | Low | 78.2 | Confident | 181 Ų | 181 | 83.9 Ų | 83.9 | 85% | 0.846 | 43% | 0.426 | S | S | * | . | trans | -76.8 | 90.8 | -179.1 | -62.9 | -158.5 | 134.1 | 0 | 0 | 111.4 | ||||
| 902 | N | 68.9 | Low | 78.2 | Confident | 99 Ų | 99 | 86.4 Ų | 86.4 | 53% | 0.529 | 44% | 0.44 | S | S | . | . | trans | -104.2 | 155.9 | 173.4 | -68.5 | -27.5 | 0 | 0 | 0 | 110.6 | K900 S904 S905 | K900-N902 PolarHBondContact O-N 3.04Å; N902-S904 PolarHBondContact O-N 3.14Å; N902-S904 VanDerWaalsContact O-N 3.14Å; N902-S905 PolarHBondContact N-OG 3Å; N902-S905 VanDerWaalsContact N-OG 3.13Å; N902-S905 WeakPolarHBondContact O-CA 3.36Å; N902-S905 WeakPolarHBondContact O-CB 3.26Å; N902-S905 PolarHBondContact O-N 3.04Å; N902-S905 PolarHBondContact O-OG 3.38Å | ||
| 903 | I | 65.4 | Low | 78.3 | Confident | 160 Ų | 160 | 86.7 Ų | 86.7 | 82% | 0.821 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -52.5 | -39.3 | 177.1 | -61 | 171.1 | 0 | 0 | 0 | 111.5 | S905 S906 | I903-S905 PolarHBondContact O-N 2.85Å; I903-S906 WeakPolarHBondContact O-CB 3.28Å; I903-S906 PolarHBondContact O-N 3.06Å; I903-S906 PolarHBondContact O-OG 3.45Å |
| 904 | S | 61.5 | Low | 78.5 | Confident | 99 Ų | 99 | 89 Ų | 89 | 69% | 0.692 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -68.7 | -10.4 | 176.8 | 51.1 | 0 | 0 | 0 | 0 | 115.5 | N902 | N902-S904 PolarHBondContact O-N 3.14Å; N902-S904 VanDerWaalsContact O-N 3.14Å |
| 905 | S | 67.7 | Low | 78.8 | Confident | 18 Ų | 18 | 84.4 Ų | 84.4 | 13% | 0.126 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -102.8 | -0.7 | 176.7 | 74.4 | 0 | 0 | 0 | 0 | 113.8 | R899 N902 I903 | R899-S905 PolarHBondContact NH2-O 3.16Å; N902-S905 PolarHBondContact N-OG 3Å; N902-S905 VanDerWaalsContact N-OG 3.13Å; N902-S905 WeakPolarHBondContact O-CA 3.36Å; N902-S905 WeakPolarHBondContact O-CB 3.26Å; N902-S905 PolarHBondContact O-N 3.04Å; N902-S905 PolarHBondContact O-OG 3.38Å; I903-S905 PolarHBondContact O-N 2.85Å |
| 906 | S | 71.4 | Confident | 79.1 | Confident | 62 Ų | 62 | 83.7 Ų | 83.7 | 43% | 0.434 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 147 | 178.2 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | I903 | I903-S906 WeakPolarHBondContact O-CB 3.28Å; I903-S906 PolarHBondContact O-N 3.06Å; I903-S906 PolarHBondContact O-OG 3.45Å |
| 907 | L | 79.2 | Confident | 79.4 | Confident | 31 Ų | 31 | 81.5 Ų | 81.5 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -100.9 | 132.6 | 179.7 | -56.1 | -174.3 | 0 | 0 | 0 | 110.6 | I913 L930 A934 L937 F966 Q980 | L907-I913 HydrophobicContact CD1-CD1 3.81Å; L907-I913 HydrophobicContact CD2-CD1 3.7Å; L907-I913 HydrophobicContact CG-CD1 4.29Å; L907-L930 HydrophobicContact CD1-CD1 4.02Å; L907-A934 HydrophobicContact CD2-CB 3.87Å; L907-L937 HydrophobicContact CD1-CD1 4.07Å; L907-L937 HydrophobicContact CG-CD1 4.45Å; L907-F966 HydrophobicContact CB-CD1 3.69Å; L907-F966 HydrophobicContact CB-CE1 3.88Å; L907-F966 HydrophobicContact CB-CG 4.13Å; L907-F966 HydrophobicContact CB-CZ 4.48Å; L907-F966 HydrophobicContact CD1-CD2 4.22Å; L907-F966 HydrophobicContact CD1-CG 4.25Å; L907-Q980 HydrophobicContact CD1-CB 4.48Å; L907-Q980 HydrophobicContact CD1-CG 3.98Å |
| 908 | K | 82.5 | Confident | 79.8 | Confident | 154 Ų | 154 | 76.8 Ų | 76.8 | 67% | 0.67 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -97.7 | 141.8 | 175.9 | -61 | -175.2 | 180 | -175.3 | 0 | 110.5 | Q911 F966 | K908-Q911 HydrophobicContact CB-CB 4.31Å; K908-Q911 WeakPolarHBondContact O-CB 3.49Å; K908-Q911 PolarHBondContact O-N 2.77Å; K908-F966 WeakPolarHBondContact O-CD1 3.26Å |
| 909 | Q | 81.4 | Confident | 80 | Confident | 143 Ų | 143 | 71.7 Ų | 71.7 | 67% | 0.668 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 143.6 | 177.2 | -163.7 | 173.1 | 43 | 0 | 0 | 111 | Q911 R967 | Q909-Q911 PolarHBondContact O-N 3.16Å; Q909-R967 WeakPolarHBondContact CG-O 3.3Å; Q909-R967 PolarHBondContact NE2-O 3.36Å |
| 910 | K | 80.9 | Confident | 80.4 | Confident | 96 Ų | 96 | 70 Ų | 70 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 8.3 | -170 | -58 | -172.4 | 174.9 | -170.9 | 0 | 115.2 | E783 T965 F966 | E783-K910 WeakPolarHBondContact OE1-CE 3.2Å; E783-K910 IonicContact OE1-NZ 2.99Å; E783-K910 PolarHBondContact OE1-NZ 3.5Å; K910-T965 WeakPolarHBondContact O-CG2 3.18Å; K910-F966 PolarHBondContact N-O 3.45Å |
| 911 | Q | 86.1 | Confident | 81.1 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 24% | 0.238 | 33% | 0.333 | C | S | . | . | trans | -74.6 | 134.9 | 176.1 | -174.7 | 178.2 | -2.8 | 0 | 0 | 112.7 | K908 Q909 H933 T965 F966 | K908-Q911 HydrophobicContact CB-CB 4.31Å; K908-Q911 WeakPolarHBondContact O-CB 3.49Å; K908-Q911 PolarHBondContact O-N 2.77Å; Q909-Q911 PolarHBondContact O-N 3.16Å; Q911-H933 PolarHBondContact NE2-CE1 3.05Å; Q911-H933 PolarHBondContact NE2-NE2 2.98Å; Q911-T965 WeakPolarHBondContact O-CA 3.47Å; Q911-F966 PolarHBondContact O-N 3.08Å | ||
| 912 | Q | 88.2 | Confident | 81.3 | Confident | 105 Ų | 105 | 60 Ų | 60 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 136.2 | 175.1 | -62.5 | 179.9 | 10.6 | 0 | 0 | 112.1 | I964 T985 | Q912-I964 CarbonylContact C-O 3.58Å; Q912-I964 WeakPolarHBondContact CA-O 3.34Å; Q912-T985 HydrophobicContact CG-CG2 3.85Å; Q912-T985 VanDerWaalsContact NE2-CG2 3.33Å |
| 913 | I | 89.6 | Confident | 81.5 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 146.6 | -173.1 | -48.2 | 172.6 | 0 | 0 | 0 | 109 | L907 L930 A934 K963 I964 F966 | L907-I913 HydrophobicContact CD1-CD1 3.81Å; L907-I913 HydrophobicContact CD2-CD1 3.7Å; L907-I913 HydrophobicContact CG-CD1 4.29Å; I913-L930 HydrophobicContact CD1-CD1 4.3Å; I913-L930 HydrophobicContact CG2-CB 4.41Å; I913-L930 HydrophobicContact CG2-CD2 4.09Å; I913-A934 HydrophobicContact CD1-CB 4.5Å; I913-A934 HydrophobicContact CG2-CB 3.64Å; I913-K963 WeakPolarHBondContact O-CA 3.39Å; I913-I964 HydrophobicContact CB-CG1 4.46Å; I913-I964 PolarHBondContact N-O 3.23Å; I913-I964 PolarHBondContact O-N 2.87Å; I913-F966 HydrophobicContact CD1-CB 4.02Å |
| 914 | S | 90.6 | Very high | 82.2 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 137.5 | 170.7 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | R931 | S914-R931 PolarHBondContact O-N 2.91Å |
| 915 | S | 91.7 | Very high | 83.4 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 165.2 | -176.5 | 62.4 | 0 | 0 | 0 | 0 | 112.8 | G929 R961 N962 | S915-G929 CarbonylContact C-O 3.47Å; S915-G929 VanDerWaalsContact CA-O 3.31Å; S915-G929 WeakPolarHBondContact CA-O 3.37Å; S915-R961 WeakPolarHBondContact O-CA 3.34Å; S915-N962 PolarHBondContact N-O 2.91Å; S915-N962 PolarHBondContact O-N 2.94Å; S915-N962 PolarHBondContact OG-O 2.77Å |
| 916 | V | 90.1 | Very high | 84.5 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.3 | 175.2 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | W891 L918 L928 G929 R931 Q960 R961 | W891-V916 HydrophobicContact CH2-CB 4.38Å; W891-V916 HydrophobicContact CH2-CG2 4.17Å; W891-V916 HydrophobicContact CZ2-CB 4.08Å; W891-V916 HydrophobicContact CZ2-CG2 4.03Å; V916-L918 PolarHBondContact O-N 2.72Å; V916-L928 CarbonylContact O-C 3.51Å; V916-L928 WeakPolarHBondContact O-CA 3.22Å; V916-L928 WeakPolarHBondContact O-CB 3.33Å; V916-G929 PolarHBondContact N-O 3.43Å; V916-G929 PolarHBondContact O-N 3.2Å; V916-R931 HydrophobicContact CG2-CG 4.36Å; V916-R931 VanDerWaalsContact CG2-NE 3.34Å; V916-Q960 CarbonylContact C-O 3.55Å; V916-Q960 WeakPolarHBondContact CA-O 3.27Å; V916-R961 HydrophobicContact CG2-CG 4.39Å |
| 917 | V | 90.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 126.3 | 173.6 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | V926 L928 W956 V957 G959 Q960 | V917-V926 HydrophobicContact CG1-CG1 3.73Å; V917-V926 HydrophobicContact CG2-CG1 4.34Å; V917-L928 HydrophobicContact CB-CD2 4.02Å; V917-L928 HydrophobicContact CG1-CD2 4.33Å; V917-L928 HydrophobicContact CG2-CD2 3.59Å; V917-W956 HydrophobicContact CG2-CE3 3.71Å; V917-W956 HydrophobicContact CG2-CZ3 4.09Å; V917-V957 VanDerWaalsContact CB-O 3.3Å; V917-V957 WeakPolarHBondContact CB-O 3.3Å; V917-G959 PolarHBondContact O-N 3.24Å; V917-Q960 HydrophobicContact CB-CB 4.48Å; V917-Q960 HydrophobicContact CG2-CB 3.91Å; V917-Q960 PolarHBondContact N-O 3.12Å |
| 918 | L | 90.2 | Very high | 86 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -42.2 | 176.4 | -57.8 | 177.8 | 0 | 0 | 0 | 111.7 | N858 C875 V887 W891 L892 V916 V927 L938 | N858-L918 PolarHBondContact ND2-O 2.97Å; C875-L918 HydrophobicContact CB-CB 4.21Å; V887-L918 HydrophobicContact CG1-CD2 4.41Å; V887-L918 HydrophobicContact CG2-CB 3.99Å; V887-L918 HydrophobicContact CG2-CD1 4.33Å; V887-L918 HydrophobicContact CG2-CD2 4.1Å; V887-L918 HydrophobicContact CG2-CG 4.36Å; W891-L918 HydrophobicContact CZ2-CD2 4.42Å; L892-L918 HydrophobicContact CD2-CD1 3.62Å; L892-L918 HydrophobicContact CD2-CD2 4.22Å; V916-L918 PolarHBondContact O-N 2.72Å; L918-V927 PolarHBondContact N-O 3.32Å; L918-L938 HydrophobicContact CD1-CD2 3.57Å |
| 919 | A | 88.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 148.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | C875 F876 V926 V927 | C875-A919 HydrophobicContact CB-CB 4.29Å; F876-A919 HydrophobicContact CB-CB 4.12Å; A919-V926 VanDerWaalsContact O-CG1 3.27Å; A919-V926 WeakPolarHBondContact O-CG1 3.49Å; A919-V927 HydrophobicContact CB-CB 4.37Å; A919-V927 PolarHBondContact N-O 3.14Å; A919-V927 PolarHBondContact O-N 2.86Å |
| 920 | C | 85 | Confident | 86.9 | Confident | 27 Ų | 27 | 27.7 Ų | 27.7 | 18% | 0.182 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.8 | -179.8 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | V926 W956 | C920-V926 HydrophobicContact CB-CG1 4.29Å; C920-W956 HydrophobicContact CB-CB 4.38Å; C920-W956 VanDerWaalsContact SG-CB 3.56Å |
| 921 | R | 85.7 | Confident | 87.3 | Confident | 52 Ų | 52 | 26.3 Ų | 26.3 | 20% | 0.196 | 14% | 0.135 | C | C | . | . | trans | -127.4 | 102.6 | 158.7 | -65.9 | -60.7 | -176.9 | -91.6 | 12.2 | 107.3 | F876 E885 R923 D924 I925 A943 | F876-R921 HydrophobicContact CD2-CG 4.46Å; F876-R921 HydrophobicContact CE1-CG 4.24Å; F876-R921 HydrophobicContact CE2-CG 3.85Å; F876-R921 HydrophobicContact CZ-CG 3.74Å; E885-R921 VanDerWaalsContact CD-NH1 3.3Å; E885-R921 IonicContact OE1-CZ 3.66Å; E885-R921 IonicContact OE1-NH1 3.35Å; E885-R921 PolarHBondContact OE1-NH1 3.37Å; E885-R921 IonicContact OE1-NH2 3.45Å; E885-R921 PolarHBondContact OE1-NH2 3.45Å; E885-R921 IonicContact OE2-CZ 2.68Å; E885-R921 IonicContact OE2-NH1 3.17Å; E885-R921 PolarHBondContact OE2-NH1 3.01Å; E885-R921 IonicContact OE2-NH2 3.23Å; R921-R923 PolarHBondContact O-N 3.48Å; R921-D924 HydrophobicContact CB-CB 4.2Å; R921-D924 PolarHBondContact O-N 3.37Å; R921-I925 PolarHBondContact N-O 3.28Å; R921-I925 PolarHBondContact O-N 3.1Å; R921-A943 VanDerWaalsContact O-CB 3.3Å; R921-A943 WeakPolarHBondContact O-CB 3.39Å | ||
| 922 | S | 71.6 | Confident | 87.2 | Confident | 85 Ų | 85 | 26.9 Ų | 26.9 | 59% | 0.594 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -6.8 | -162.7 | 56.7 | 0 | 0 | 0 | 0 | 117.2 | R944 | S922-R944 PolarHBondContact O-NE 3.04Š|
| 923 | R | 73.4 | Confident | 86.9 | Confident | 70 Ų | 70 | 25.9 Ų | 25.9 | 26% | 0.264 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -24.5 | 171.4 | -63.4 | -175.8 | -179.2 | 165.6 | 7.7 | 113.5 | E617 E747 R921 | E617-R923 IonicContact OE2-NH1 3.55Å; E617-R923 PolarHBondContact OE2-NH1 3.47Å; E747-R923 PolarHBondContact O-NE 2.88Å; E747-R923 PolarHBondContact O-NH2 3.1Å; E747-R923 VanDerWaalsContact O-NH2 3.14Å; R921-R923 PolarHBondContact O-N 3.48Å |
| 924 | D | 79.7 | Confident | 86.6 | Confident | 15 Ų | 15 | 25.6 Ų | 25.6 | 8% | 0.08 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -113.6 | -85.6 | -162 | -57.9 | -8.7 | 0 | 0 | 0 | 111.1 | Y616 S618 Y796 R921 A943 | Y616-D924 HydrophobicContact CD1-CB 4.32Å; Y616-D924 HydrophobicContact CE1-CB 4.37Å; S618-D924 PolarHBondContact OG-OD2 3.21Å; Y796-D924 HydrophobicContact CD2-CB 4.3Å; Y796-D924 HydrophobicContact CE2-CB 3.65Å; Y796-D924 WeakPolarHBondContact CE2-OD2 3.46Å; Y796-D924 PolarHBondContact OH-OD2 2.99Å; R921-D924 HydrophobicContact CB-CB 4.2Å; R921-D924 PolarHBondContact O-N 3.37Å; D924-A943 WeakPolarHBondContact O-CB 3.42Å; D924-A943 PolarHBondContact O-N 3.25Å |
| 925 | I | 88.5 | Confident | 86.4 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 160.6 | -174.1 | 63.7 | 161.3 | 0 | 0 | 0 | 112.5 | I793 Y796 L797 F876 R921 V927 V940 | I793-I925 HydrophobicContact CG2-CG2 4.23Å; Y796-I925 HydrophobicContact CD1-CD1 4.09Å; Y796-I925 HydrophobicContact CD1-CG1 4.25Å; Y796-I925 HydrophobicContact CD1-CG2 3.7Å; Y796-I925 HydrophobicContact CE1-CB 4.47Å; Y796-I925 HydrophobicContact CE1-CD1 3.62Å; Y796-I925 HydrophobicContact CE1-CG1 3.68Å; Y796-I925 HydrophobicContact CE1-CG2 3.98Å; Y796-I925 HydrophobicContact CG-CG2 4.25Å; L797-I925 HydrophobicContact CD2-CD1 4.11Å; F876-I925 HydrophobicContact CE2-CD1 4.22Å; F876-I925 HydrophobicContact CE2-CG1 4.39Å; R921-I925 PolarHBondContact N-O 3.28Å; R921-I925 PolarHBondContact O-N 3.1Å; I925-V927 HydrophobicContact CD1-CG2 4.4Å; I925-V940 HydrophobicContact CB-CG1 3.83Å; I925-V940 HydrophobicContact CD1-CG1 3.85Å; I925-V940 HydrophobicContact CG1-CG1 4.43Å; I925-V940 HydrophobicContact CG2-CG1 4.07Å |
| 926 | V | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.5 | 174.1 | -167.7 | 0 | 0 | 0 | 0 | 109.2 | V917 A919 C920 L928 V941 A943 W956 | V917-V926 HydrophobicContact CG1-CG1 3.73Å; V917-V926 HydrophobicContact CG2-CG1 4.34Å; A919-V926 VanDerWaalsContact O-CG1 3.27Å; A919-V926 WeakPolarHBondContact O-CG1 3.49Å; C920-V926 HydrophobicContact CB-CG1 4.29Å; V926-L928 HydrophobicContact CB-CD2 4.32Å; V926-L928 HydrophobicContact CG1-CD2 3.59Å; V926-V941 PolarHBondContact N-O 2.99Å; V926-V941 PolarHBondContact O-N 3.2Å; V926-A943 HydrophobicContact CG2-CB 3.91Å; V926-W956 HydrophobicContact CB-CD2 4.21Å; V926-W956 HydrophobicContact CB-CE3 4.33Å; V926-W956 HydrophobicContact CG1-CB 4.41Å; V926-W956 HydrophobicContact CG1-CD2 4.01Å; V926-W956 HydrophobicContact CG1-CE3 3.81Å; V926-W956 HydrophobicContact CG1-CG 4.33Å; V926-W956 HydrophobicContact CG1-CZ3 4.2Å; V926-W956 HydrophobicContact CG2-CB 4.25Å; V926-W956 HydrophobicContact CG2-CD2 3.73Å; V926-W956 HydrophobicContact CG2-CE3 4.34Å; V926-W956 HydrophobicContact CG2-CG 3.72Å; V926-W956 HydrophobicContact CG2-CZ2 4.28Å |
| 927 | V | 91.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.9 | -176.7 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | I815 L918 A919 I925 S939 | I815-V927 HydrophobicContact CD1-CG2 4.47Å; I815-V927 HydrophobicContact CG2-CG1 4.08Å; L918-V927 PolarHBondContact N-O 3.32Å; A919-V927 HydrophobicContact CB-CB 4.37Å; A919-V927 PolarHBondContact N-O 3.14Å; A919-V927 PolarHBondContact O-N 2.86Å; I925-V927 HydrophobicContact CD1-CG2 4.4Å; V927-S939 WeakPolarHBondContact CA-O 3.45Å |
| 928 | L | 91.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.9 | -173 | -35.1 | 174 | 0 | 0 | 0 | 111.5 | V916 V917 V926 S939 V941 W956 I964 | V916-L928 CarbonylContact O-C 3.51Å; V916-L928 WeakPolarHBondContact O-CA 3.22Å; V916-L928 WeakPolarHBondContact O-CB 3.33Å; V917-L928 HydrophobicContact CB-CD2 4.02Å; V917-L928 HydrophobicContact CG1-CD2 4.33Å; V917-L928 HydrophobicContact CG2-CD2 3.59Å; V926-L928 HydrophobicContact CB-CD2 4.32Å; V926-L928 HydrophobicContact CG1-CD2 3.59Å; L928-S939 WeakPolarHBondContact CB-OG 3.38Å; L928-S939 PolarHBondContact N-O 3.41Å; L928-S939 PolarHBondContact O-N 3.29Å; L928-S939 PolarHBondContact O-OG 3.44Å; L928-V941 HydrophobicContact CD1-CB 4.16Å; L928-V941 HydrophobicContact CD1-CG2 3.44Å; L928-V941 VanDerWaalsContact CD1-CG2 3.44Å; L928-V941 HydrophobicContact CG-CG2 4.23Å; L928-W956 HydrophobicContact CD1-CZ3 4.34Å; L928-W956 HydrophobicContact CD2-CZ3 3.96Å; L928-I964 HydrophobicContact CD1-CD1 3.95Å; L928-I964 HydrophobicContact CD1-CG2 3.72Å |
| 929 | G | 91 | Very high | 85.9 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 127.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.7 | S915 V916 | S915-G929 CarbonylContact C-O 3.47Å; S915-G929 VanDerWaalsContact CA-O 3.31Å; S915-G929 WeakPolarHBondContact CA-O 3.37Å; V916-G929 PolarHBondContact N-O 3.43Å; V916-G929 PolarHBondContact O-N 3.2Å |
| 930 | L | 91.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 155.1 | 179.6 | -60.3 | -172.1 | 0 | 0 | 0 | 112.2 | L907 I913 A934 L937 S939 I964 Q980 | L907-L930 HydrophobicContact CD1-CD1 4.02Å; I913-L930 HydrophobicContact CD1-CD1 4.3Å; I913-L930 HydrophobicContact CG2-CB 4.41Å; I913-L930 HydrophobicContact CG2-CD2 4.09Å; L930-A934 HydrophobicContact CB-CB 3.75Å; L930-A934 WeakPolarHBondContact CB-O 3.23Å; L930-A934 HydrophobicContact CD1-CB 3.89Å; L930-A934 HydrophobicContact CG-CB 4.43Å; L930-L937 HydrophobicContact CB-CB 4.46Å; L930-L937 WeakPolarHBondContact CB-O 3.39Å; L930-L937 HydrophobicContact CD1-CB 3.82Å; L930-L937 HydrophobicContact CG-CB 4.32Å; L930-L937 PolarHBondContact N-O 2.68Å; L930-S939 VanDerWaalsContact CD2-OG 3.24Å; L930-S939 WeakPolarHBondContact CD2-OG 3.44Å; L930-I964 HydrophobicContact CD2-CD1 3.6Å; L930-I964 HydrophobicContact CD2-CG1 4.39Å; L930-Q980 HydrophobicContact CD1-CG 4.3Å |
| 931 | R | 88.3 | Confident | 86.3 | Confident | 66 Ų | 66 | 24.4 Ų | 24.4 | 25% | 0.249 | 14% | 0.141 | C | C | . | . | trans | -134.5 | 168.3 | 179.8 | -73.1 | -170 | 166 | -173.3 | -2.9 | 112.7 | W891 S914 V916 | W891-R931 VanDerWaalsContact CD2-NH2 3.31Å; W891-R931 HydrophobicContact CE3-CG 4.37Å; W891-R931 HydrophobicContact CH2-CG 3.86Å; W891-R931 HydrophobicContact CZ3-CG 3.58Å; S914-R931 PolarHBondContact O-N 2.91Å; V916-R931 HydrophobicContact CG2-CG 4.36Å; V916-R931 VanDerWaalsContact CG2-NE 3.34Å | ||
| 932 | G | 84.3 | Confident | 86.3 | Confident | 63 Ų | 63 | 22.2 Ų | 22.2 | 65% | 0.649 | 13% | 0.134 | S | C | * | . | G | 310 helix | trans | 74.4 | -141.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A934 A935 | G932-A934 PolarHBondContact O-N 2.88Å; G932-A935 VanDerWaalsContact O-CB 3.3Å; G932-A935 WeakPolarHBondContact O-CB 3.25Å; G932-A935 PolarHBondContact O-N 3.17Å |
| 933 | H | 82.6 | Confident | 86.7 | Confident | 84 Ų | 84 | 18.1 Ų | 18.1 | 39% | 0.389 | 11% | 0.105 | S | C | . | . | G | 310 helix | trans | -55.4 | -20.9 | 175.3 | 65 | -88.7 | 0 | 0 | 0 | 113.8 | Q911 | Q911-H933 PolarHBondContact NE2-CE1 3.05Å; Q911-H933 PolarHBondContact NE2-NE2 2.98Å |
| 934 | A | 83.9 | Confident | 87 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -92.6 | 2.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R899 L907 I913 L930 G932 L937 | R899-A934 PolarHBondContact NH1-O 2.87Å; L907-A934 HydrophobicContact CD2-CB 3.87Å; I913-A934 HydrophobicContact CD1-CB 4.5Å; I913-A934 HydrophobicContact CG2-CB 3.64Å; L930-A934 HydrophobicContact CB-CB 3.75Å; L930-A934 WeakPolarHBondContact CB-O 3.23Å; L930-A934 HydrophobicContact CD1-CB 3.89Å; L930-A934 HydrophobicContact CG-CB 4.43Å; G932-A934 PolarHBondContact O-N 2.88Å; A934-L937 PolarHBondContact O-N 3.33Å |
| 935 | A | 85.2 | Confident | 86.8 | Confident | 30 Ų | 30 | 17.2 Ų | 17.2 | 25% | 0.248 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 141 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R899 G932 | R899-A935 PolarHBondContact NH1-O 3Å; G932-A935 VanDerWaalsContact O-CB 3.3Å; G932-A935 WeakPolarHBondContact O-CB 3.25Å; G932-A935 PolarHBondContact O-N 3.17Å |
| 936 | G | 83 | Confident | 86.2 | Confident | 9 Ų | 9 | 18.7 Ų | 18.7 | 9% | 0.093 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 9.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 937 | L | 87.7 | Confident | 85.6 | Confident | 27 Ų | 27 | 19.7 Ų | 19.7 | 14% | 0.141 | 11% | 0.114 | C | C | . | . | trans | -106.9 | 148.8 | 164.1 | -85.8 | 171.8 | 0 | 0 | 0 | 111.4 | L907 L930 A934 Q980 | L907-L937 HydrophobicContact CD1-CD1 4.07Å; L907-L937 HydrophobicContact CG-CD1 4.45Å; L930-L937 HydrophobicContact CB-CB 4.46Å; L930-L937 WeakPolarHBondContact CB-O 3.39Å; L930-L937 HydrophobicContact CD1-CB 3.82Å; L930-L937 HydrophobicContact CG-CB 4.32Å; L930-L937 PolarHBondContact N-O 2.68Å; A934-L937 PolarHBondContact O-N 3.33Å; L937-Q980 HydrophobicContact CB-CG 4.43Å; L937-Q980 HydrophobicContact CD1-CG 4.13Å; L937-Q980 HydrophobicContact CD2-CG 4.35Å | ||
| 938 | L | 90.9 | Very high | 85.2 | Confident | 9 Ų | 9 | 19.7 Ų | 19.7 | 5% | 0.047 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 146.8 | 169.4 | -62 | -172.9 | 0 | 0 | 0 | 110.8 | I815 I873 L892 L918 L979 Q980 | I815-L938 HydrophobicContact CG2-CD1 3.89Å; I873-L938 HydrophobicContact CG2-CD1 4.37Å; L892-L938 HydrophobicContact CD1-CD2 4.28Å; L892-L938 HydrophobicContact CD2-CD2 4.27Å; L918-L938 HydrophobicContact CD1-CD2 3.57Å; L938-L979 HydrophobicContact CB-CD2 4.08Å; L938-Q980 WeakPolarHBondContact O-CG 3.38Å; L938-Q980 PolarHBondContact O-N 2.93Å |
| 939 | S | 91.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 153.3 | -179.2 | 58 | 0 | 0 | 0 | 0 | 111.1 | V927 L928 L930 I964 Q980 | V927-S939 WeakPolarHBondContact CA-O 3.45Å; L928-S939 WeakPolarHBondContact CB-OG 3.38Å; L928-S939 PolarHBondContact N-O 3.41Å; L928-S939 PolarHBondContact O-N 3.29Å; L928-S939 PolarHBondContact O-OG 3.44Å; L930-S939 VanDerWaalsContact CD2-OG 3.24Å; L930-S939 WeakPolarHBondContact CD2-OG 3.44Å; S939-I964 WeakPolarHBondContact OG-CD1 3.34Å; S939-Q980 CarbonylContact C-O 3.46Å; S939-Q980 WeakPolarHBondContact CA-O 3.48Å; S939-Q980 WeakPolarHBondContact CB-O 3.49Å |
| 940 | V | 91.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.4 | 177.3 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | I793 I925 L979 Q980 L981 C982 | I793-V940 HydrophobicContact CG2-CG1 3.84Å; I925-V940 HydrophobicContact CB-CG1 3.83Å; I925-V940 HydrophobicContact CD1-CG1 3.85Å; I925-V940 HydrophobicContact CG1-CG1 4.43Å; I925-V940 HydrophobicContact CG2-CG1 4.07Å; V940-L979 HydrophobicContact CG2-CB 4.37Å; V940-L979 HydrophobicContact CG2-CD1 4.15Å; V940-L979 HydrophobicContact CG2-CD2 4.41Å; V940-Q980 PolarHBondContact N-O 3.48Å; V940-L981 HydrophobicContact CB-CD2 4.24Å; V940-C982 PolarHBondContact O-N 2.8Å |
| 941 | V | 89.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.3 | 179.7 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | V926 L928 W956 I964 C982 L984 | V926-V941 PolarHBondContact N-O 2.99Å; V926-V941 PolarHBondContact O-N 3.2Å; L928-V941 HydrophobicContact CD1-CB 4.16Å; L928-V941 HydrophobicContact CD1-CG2 3.44Å; L928-V941 VanDerWaalsContact CD1-CG2 3.44Å; L928-V941 HydrophobicContact CG-CG2 4.23Å; V941-W956 HydrophobicContact CB-CH2 4.23Å; V941-W956 HydrophobicContact CG1-CH2 3.75Å; V941-W956 HydrophobicContact CG1-CZ2 3.9Å; V941-I964 HydrophobicContact CG2-CD1 4.3Å; V941-I964 HydrophobicContact CG2-CG2 4.16Å; V941-C982 HydrophobicContact CG2-CB 3.81Å; V941-L984 HydrophobicContact CG1-CG 4.26Å |
| 942 | P | 85.7 | Confident | 81 | Confident | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 138.2 | 179.8 | 27.9 | -23.5 | 0 | 0 | 0 | 108.3 | A789 I793 R944 | A789-P942 HydrophobicContact CB-CG 4.12Å; I793-P942 HydrophobicContact CD1-CB 3.83Å; I793-P942 HydrophobicContact CD1-CG 3.72Å; I793-P942 HydrophobicContact CG1-CB 3.67Å; I793-P942 HydrophobicContact CG1-CG 4.12Å; P942-R944 PolarHBondContact O-N 3.2Å |
| 943 | A | 81.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -64.1 | -32.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R921 D924 V926 G953 W956 | R921-A943 VanDerWaalsContact O-CB 3.3Å; R921-A943 WeakPolarHBondContact O-CB 3.39Å; D924-A943 WeakPolarHBondContact O-CB 3.42Å; D924-A943 PolarHBondContact O-N 3.25Å; V926-A943 HydrophobicContact CG2-CB 3.91Å; A943-G953 WeakPolarHBondContact O-CA 3.46Å; A943-W956 PolarHBondContact O-NE1 2.93Å |
| 944 | R | 78.5 | Confident | 78.1 | Confident | 27 Ų | 27 | 18.3 Ų | 18.3 | 10% | 0.102 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -136.2 | 149.7 | 176 | -54.4 | -178.1 | -173.9 | -175.7 | 0.9 | 108.3 | L748 S922 P942 T946 D949 | L748-R944 PolarHBondContact O-NH1 3.26Å; S922-R944 PolarHBondContact O-NE 3.04Å; P942-R944 PolarHBondContact O-N 3.2Å; R944-T946 VanDerWaalsContact C-N 3.32Å; R944-T946 WeakPolarHBondContact CB-O 3.33Å; R944-T946 PolarHBondContact O-N 3.21Å; R944-D949 HydrophobicContact CB-CB 4.21Å |
| 945 | R | 75.6 | Confident | 77.2 | Confident | 39 Ų | 39 | 22.5 Ų | 22.5 | 15% | 0.147 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -62.1 | -39.8 | 178.6 | -66.3 | 162.5 | 169.6 | -161.6 | -8.4 | 112.8 | M775 Y779 A789 D949 Y987 | M775-R945 HydrophobicContact CE-CB 3.65Å; M775-R945 HydrophobicContact CE-CG 4.33Å; Y779-R945 PolarHBondContact OH-NH2 2.99Å; A789-R945 WeakPolarHBondContact CB-O 3.45Å; R945-D949 HydrophobicContact CB-CB 4.1Å; R945-D949 VanDerWaalsContact CB-OD2 3.29Å; R945-D949 WeakPolarHBondContact CB-OD2 3.4Å; R945-D949 VanDerWaalsContact CD-OD2 3.29Å; R945-D949 WeakPolarHBondContact CD-OD2 3.39Å; R945-D949 WeakPolarHBondContact CG-OD2 3.23Å; R945-D949 PolarHBondContact N-OD2 3.35Å; R945-Y987 HydrophobicContact CG-CD2 3.62Å; R945-Y987 HydrophobicContact CG-CE2 3.67Å; R945-Y987 HydrophobicContact CG-CG 4.28Å; R945-Y987 VanDerWaalsContact NE-CD1 3.31Å; R945-Y987 VanDerWaalsContact NE-CG 3.27Å |
| 946 | T | 76.4 | Confident | 76.9 | Confident | 33 Ų | 33 | 22.1 Ų | 22.1 | 20% | 0.202 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -152 | 173.6 | 172.9 | 60.2 | 0 | 0 | 0 | 0 | 107.6 | I756 Y785 R944 N948 D949 | I756-T946 HydrophobicContact CD1-CG2 4.01Å; Y785-T946 HydrophobicContact CD1-CG2 4.07Å; Y785-T946 HydrophobicContact CE1-CG2 3.89Å; R944-T946 VanDerWaalsContact C-N 3.32Å; R944-T946 WeakPolarHBondContact CB-O 3.33Å; R944-T946 PolarHBondContact O-N 3.21Å; T946-N948 PolarHBondContact O-N 3.44Å; T946-D949 VanDerWaalsContact O-CB 3.31Å; T946-D949 WeakPolarHBondContact O-CB 3.4Å; T946-D949 PolarHBondContact O-N 3.26Å |
| 947 | F | 77.8 | Confident | 76.8 | Confident | 20 Ų | 20 | 26.2 Ų | 26.2 | 9% | 0.088 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.2 | 175.2 | -80.3 | -81.4 | 0 | 0 | 0 | 113.9 | Y616 F749 A753 T754 V755 D949 | Y616-F947 HydrophobicContact CD1-CE2 4.3Å; Y616-F947 AromaticContact CD1-CZ 3.97Å; Y616-F947 HydrophobicContact CD1-CZ 3.97Å; Y616-F947 HydrophobicContact CE1-CE2 4.36Å; Y616-F947 HydrophobicContact CE1-CZ 4.29Å; F749-F947 WeakPolarHBondContact CE1-O 3.47Å; A753-F947 HydrophobicContact CB-CD1 3.78Å; A753-F947 HydrophobicContact CB-CD2 4.38Å; A753-F947 HydrophobicContact CB-CE1 4.04Å; A753-F947 HydrophobicContact CB-CG 3.97Å; A753-F947 HydrophobicContact CB-CZ 4.45Å; T754-F947 WeakPolarHBondContact O-CB 3.23Å; T754-F947 WeakPolarHBondContact O-CD2 3.49Å; V755-F947 HydrophobicContact CG1-CB 4.15Å; F947-D949 PolarHBondContact O-N 2.99Å |
| 948 | N | 82.7 | Confident | 76.6 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.3 | 171.4 | -62.2 | 86.7 | 0 | 0 | 0 | 113.8 | I756 L773 M775 I778 T946 V950 | I756-N948 PolarHBondContact N-OD1 3.48Å; I756-N948 PolarHBondContact O-ND2 3.17Å; I756-N948 PolarHBondContact O-OD1 2.83Å; L773-N948 WeakPolarHBondContact O-CB 3.42Å; L773-N948 PolarHBondContact O-ND2 3.02Å; M775-N948 HydrophobicContact SD-CB 3.96Å; I778-N948 WeakPolarHBondContact CD1-ND2 3.47Å; T946-N948 PolarHBondContact O-N 3.44Å; N948-V950 PolarHBondContact O-N 3.27Å |
| 949 | D | 77.4 | Confident | 76.3 | Confident | 10 Ų | 10 | 27.6 Ų | 27.6 | 5% | 0.053 | 18% | 0.178 | C | C | . | . | trans | -82.8 | 65.9 | -173.1 | -169.8 | 22.6 | 0 | 0 | 0 | 111.5 | M775 R944 R945 T946 F947 V951 G952 G953 | M775-D949 HydrophobicContact CE-CB 4.11Å; M775-D949 HydrophobicContact CG-CB 4.22Å; M775-D949 HydrophobicContact SD-CB 4.09Å; R944-D949 HydrophobicContact CB-CB 4.21Å; R945-D949 HydrophobicContact CB-CB 4.1Å; R945-D949 VanDerWaalsContact CB-OD2 3.29Å; R945-D949 WeakPolarHBondContact CB-OD2 3.4Å; R945-D949 VanDerWaalsContact CD-OD2 3.29Å; R945-D949 WeakPolarHBondContact CD-OD2 3.39Å; R945-D949 WeakPolarHBondContact CG-OD2 3.23Å; R945-D949 PolarHBondContact N-OD2 3.35Å; T946-D949 VanDerWaalsContact O-CB 3.31Å; T946-D949 WeakPolarHBondContact O-CB 3.4Å; T946-D949 PolarHBondContact O-N 3.26Å; F947-D949 PolarHBondContact O-N 2.99Å; D949-V951 PolarHBondContact O-N 2.87Å; D949-V951 VanDerWaalsContact O-N 3.14Å; D949-G952 VanDerWaalsContact CG-CA 3.42Å; D949-G952 WeakPolarHBondContact OD1-CA 3.35Å; D949-G952 PolarHBondContact OD1-N 3.22Å; D949-G952 VanDerWaalsContact OD2-CA 3.28Å; D949-G952 WeakPolarHBondContact OD2-CA 3.44Å; D949-G953 PolarHBondContact O-N 3.24Å | ||
| 950 | V | 74.1 | Confident | 76 | Confident | 23 Ų | 23 | 30.2 Ų | 30.2 | 14% | 0.139 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.1 | -177.6 | 173.8 | 0 | 0 | 0 | 0 | 112.9 | L748 F749 N948 | L748-V950 HydrophobicContact CD1-CG1 3.87Å; L748-V950 HydrophobicContact CD2-CG1 4.27Å; F749-V950 HydrophobicContact CD2-CG2 4.44Å; F749-V950 HydrophobicContact CE1-CG2 4.4Å; F749-V950 HydrophobicContact CE2-CG2 3.54Å; F749-V950 HydrophobicContact CZ-CG2 3.52Å; N948-V950 PolarHBondContact O-N 3.27Å |
| 951 | V | 65.7 | Low | 75.8 | Confident | 69 Ų | 69 | 38.8 Ų | 38.8 | 42% | 0.418 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -24.9 | -173.5 | 179.5 | 0 | 0 | 0 | 0 | 113.5 | F737 D949 G953 | F737-V951 HydrophobicContact CD2-CB 3.84Å; F737-V951 HydrophobicContact CD2-CG1 4.06Å; F737-V951 HydrophobicContact CD2-CG2 3.46Å; F737-V951 VanDerWaalsContact CD2-CG2 3.46Å; F737-V951 HydrophobicContact CE2-CB 3.7Å; F737-V951 HydrophobicContact CE2-CG1 3.73Å; F737-V951 HydrophobicContact CE2-CG2 3.89Å; F737-V951 HydrophobicContact CG-CG2 4.18Å; F737-V951 HydrophobicContact CZ-CG1 4.06Å; D949-V951 PolarHBondContact O-N 2.87Å; D949-V951 VanDerWaalsContact O-N 3.14Å; V951-G953 CarbonylContact O-C 3.59Å; V951-G953 VanDerWaalsContact O-C 3.28Å; V951-G953 PolarHBondContact O-N 2.85Å |
| 952 | G | 55.9 | Low | 75.7 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 0.4 | 165 | 0 | 0 | 0 | 0 | 0 | 113.4 | D949 N954 Y987 | D949-G952 VanDerWaalsContact CG-CA 3.42Å; D949-G952 WeakPolarHBondContact OD1-CA 3.35Å; D949-G952 PolarHBondContact OD1-N 3.22Å; D949-G952 VanDerWaalsContact OD2-CA 3.28Å; D949-G952 WeakPolarHBondContact OD2-CA 3.44Å; G952-N954 PolarHBondContact O-N 3.38Å; G952-Y987 PolarHBondContact O-OH 3.2Å |
| 953 | G | 53.2 | Low | 75.8 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 26% | 0.258 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -58.9 | 72.8 | 135.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A943 D949 V951 A955 | A943-G953 WeakPolarHBondContact O-CA 3.46Å; D949-G953 PolarHBondContact O-N 3.24Å; V951-G953 CarbonylContact O-C 3.59Å; V951-G953 VanDerWaalsContact O-C 3.28Å; V951-G953 PolarHBondContact O-N 2.85Å; G953-A955 PolarHBondContact O-N 2.68Å |
| 954 | N | 54.5 | Low | 76.2 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | trans | -44.1 | 141.1 | 165.1 | -87.2 | -2 | 0 | 0 | 0 | 108.4 | G952 W956 L984 | G952-N954 PolarHBondContact O-N 3.38Å; N954-W956 HydrophobicContact CB-CD2 4.4Å; N954-W956 VanDerWaalsContact O-CG 3.32Å; N954-W956 PolarHBondContact O-N 3.35Å; N954-L984 VanDerWaalsContact ND2-CD1 3.29Å; N954-L984 WeakPolarHBondContact ND2-CD1 3.34Å | ||
| 955 | A | 63.4 | Low | 76.7 | Confident | 88 Ų | 88 | 45.1 Ų | 45.1 | 73% | 0.727 | 25% | 0.252 | S | S | * | . | trans | -68.6 | 83.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110 | G953 V957 Q960 | G953-A955 PolarHBondContact O-N 2.68Å; A955-V957 PolarHBondContact O-N 2.92Å; A955-V957 VanDerWaalsContact O-N 3.1Å; A955-Q960 PolarHBondContact O-OE1 3.25Å | ||
| 956 | W | 78.7 | Confident | 77.4 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 8% | 0.08 | 25% | 0.249 | C | C | . | . | trans | -74.9 | 94.7 | -169.8 | -71.1 | 109.3 | 0 | 0 | 0 | 111.1 | V917 C920 V926 L928 V941 A943 N954 N962 L984 | V917-W956 HydrophobicContact CG2-CE3 3.71Å; V917-W956 HydrophobicContact CG2-CZ3 4.09Å; C920-W956 HydrophobicContact CB-CB 4.38Å; C920-W956 VanDerWaalsContact SG-CB 3.56Å; V926-W956 HydrophobicContact CB-CD2 4.21Å; V926-W956 HydrophobicContact CB-CE3 4.33Å; V926-W956 HydrophobicContact CG1-CB 4.41Å; V926-W956 HydrophobicContact CG1-CD2 4.01Å; V926-W956 HydrophobicContact CG1-CE3 3.81Å; V926-W956 HydrophobicContact CG1-CG 4.33Å; V926-W956 HydrophobicContact CG1-CZ3 4.2Å; V926-W956 HydrophobicContact CG2-CB 4.25Å; V926-W956 HydrophobicContact CG2-CD2 3.73Å; V926-W956 HydrophobicContact CG2-CE3 4.34Å; V926-W956 HydrophobicContact CG2-CG 3.72Å; V926-W956 HydrophobicContact CG2-CZ2 4.28Å; L928-W956 HydrophobicContact CD1-CZ3 4.34Å; L928-W956 HydrophobicContact CD2-CZ3 3.96Å; V941-W956 HydrophobicContact CB-CH2 4.23Å; V941-W956 HydrophobicContact CG1-CH2 3.75Å; V941-W956 HydrophobicContact CG1-CZ2 3.9Å; A943-W956 PolarHBondContact O-NE1 2.93Å; N954-W956 HydrophobicContact CB-CD2 4.4Å; N954-W956 VanDerWaalsContact O-CG 3.32Å; N954-W956 PolarHBondContact O-N 3.35Å; W956-N962 WeakPolarHBondContact CZ3-ND2 3.45Å; W956-L984 HydrophobicContact CH2-CD1 3.65Å; W956-L984 HydrophobicContact CH2-CD2 3.73Å; W956-L984 HydrophobicContact CH2-CG 3.67Å; W956-L984 HydrophobicContact CZ2-CD1 3.45Å; W956-L984 VanDerWaalsContact CZ2-CD1 3.45Å; W956-L984 HydrophobicContact CZ2-CD2 4.41Å; W956-L984 HydrophobicContact CZ2-CG 3.95Å; W956-L984 HydrophobicContact CZ3-CD2 4.3Å | ||
| 957 | V | 81.5 | Confident | 77.9 | Confident | 95 Ų | 95 | 43.9 Ų | 43.9 | 58% | 0.576 | 24% | 0.244 | S | C | * | . | trans | -95.6 | 138 | 178.8 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | V917 A955 G959 Q960 | V917-V957 VanDerWaalsContact CB-O 3.3Å; V917-V957 WeakPolarHBondContact CB-O 3.3Å; A955-V957 PolarHBondContact O-N 2.92Å; A955-V957 VanDerWaalsContact O-N 3.1Å; V957-G959 PolarHBondContact O-N 2.74Å; V957-Q960 WeakPolarHBondContact O-CB 3.39Å; V957-Q960 PolarHBondContact O-N 3.06Å | ||
| 958 | V | 84.6 | Confident | 78.4 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 132.7 | 173.6 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | Y855 A857 N858 | Y855-V958 HydrophobicContact CD2-CG2 4.46Å; A857-V958 HydrophobicContact CB-CB 4.28Å; A857-V958 HydrophobicContact CB-CG1 3.87Å; N858-V958 WeakPolarHBondContact OD1-CG1 3.15Å |
| 959 | G | 83.3 | Confident | 78.6 | Confident | 35 Ų | 35 | 49.9 Ų | 49.9 | 36% | 0.361 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -12 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V917 V957 R961 | V917-G959 PolarHBondContact O-N 3.24Å; V957-G959 PolarHBondContact O-N 2.74Å; G959-R961 PolarHBondContact O-N 3.26Å |
| 960 | Q | 85.7 | Confident | 79.1 | Confident | 55 Ų | 55 | 50.2 Ų | 50.2 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | trans | -59.2 | 137.5 | 175.4 | -179.2 | -172 | -3.4 | 0 | 0 | 111.1 | V916 V917 A955 V957 N962 | V916-Q960 CarbonylContact C-O 3.55Å; V916-Q960 WeakPolarHBondContact CA-O 3.27Å; V917-Q960 HydrophobicContact CB-CB 4.48Å; V917-Q960 HydrophobicContact CG2-CB 3.91Å; V917-Q960 PolarHBondContact N-O 3.12Å; A955-Q960 PolarHBondContact O-OE1 3.25Å; V957-Q960 WeakPolarHBondContact O-CB 3.39Å; V957-Q960 PolarHBondContact O-N 3.06Å; Q960-N962 PolarHBondContact NE2-ND2 3.48Å; Q960-N962 PolarHBondContact NE2-OD1 3.25Å | ||
| 961 | R | 87.5 | Confident | 79.5 | Confident | 181 Ų | 181 | 54.7 Ų | 54.7 | 68% | 0.683 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.6 | 176.9 | -56.4 | -173.6 | -173.3 | -179.1 | 4.5 | 110.7 | S915 V916 G959 | S915-R961 WeakPolarHBondContact O-CA 3.34Å; V916-R961 HydrophobicContact CG2-CG 4.39Å; G959-R961 PolarHBondContact O-N 3.26Å |
| 962 | N | 85.4 | Confident | 80.2 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 161.5 | 179.9 | -75.8 | -52.8 | 0 | 0 | 0 | 111.6 | S915 W956 Q960 I964 L984 | S915-N962 PolarHBondContact N-O 2.91Å; S915-N962 PolarHBondContact O-N 2.94Å; S915-N962 PolarHBondContact OG-O 2.77Å; W956-N962 WeakPolarHBondContact CZ3-ND2 3.45Å; Q960-N962 PolarHBondContact NE2-ND2 3.48Å; Q960-N962 PolarHBondContact NE2-OD1 3.25Å; N962-I964 HydrophobicContact CB-CG2 4.48Å; N962-L984 HydrophobicContact CB-CD2 3.94Å |
| 963 | K | 88.1 | Confident | 80.9 | Confident | 137 Ų | 137 | 54.5 Ų | 54.5 | 60% | 0.596 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.4 | 160.8 | -73.8 | -171 | 178.1 | -174.9 | 0 | 108.8 | I913 T985 | I913-K963 WeakPolarHBondContact O-CA 3.39Å; K963-T985 VanDerWaalsContact C-OG1 3.3Å; K963-T985 PolarHBondContact O-N 2.84Å; K963-T985 VanDerWaalsContact O-N 3.11Å; K963-T985 PolarHBondContact O-OG1 3.43Å |
| 964 | I | 89.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 156.7 | 178 | 67.4 | 172.5 | 0 | 0 | 0 | 110.3 | Q912 I913 L928 L930 S939 V941 N962 C982 T983 L984 T985 | Q912-I964 CarbonylContact C-O 3.58Å; Q912-I964 WeakPolarHBondContact CA-O 3.34Å; I913-I964 HydrophobicContact CB-CG1 4.46Å; I913-I964 PolarHBondContact N-O 3.23Å; I913-I964 PolarHBondContact O-N 2.87Å; L928-I964 HydrophobicContact CD1-CD1 3.95Å; L928-I964 HydrophobicContact CD1-CG2 3.72Å; L930-I964 HydrophobicContact CD2-CD1 3.6Å; L930-I964 HydrophobicContact CD2-CG1 4.39Å; S939-I964 WeakPolarHBondContact OG-CD1 3.34Å; V941-I964 HydrophobicContact CG2-CD1 4.3Å; V941-I964 HydrophobicContact CG2-CG2 4.16Å; N962-I964 HydrophobicContact CB-CG2 4.48Å; I964-C982 HydrophobicContact CB-CB 4.18Å; I964-C982 HydrophobicContact CD1-CB 3.7Å; I964-C982 HydrophobicContact CG1-CB 4.21Å; I964-T983 CarbonylContact C-O 3.56Å; I964-T983 WeakPolarHBondContact CA-O 3.29Å; I964-T983 VanDerWaalsContact CB-O 3.29Å; I964-T983 WeakPolarHBondContact CB-O 3.33Å; I964-L984 HydrophobicContact CG2-CD2 4.26Å; I964-T985 VanDerWaalsContact C-OG1 3.25Å; I964-T985 WeakPolarHBondContact CA-OG1 3.44Å; I964-T985 PolarHBondContact N-OG1 3.32Å |
| 965 | T | 89 | Confident | 82.3 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.4 | -175.6 | -57.8 | 0 | 0 | 0 | 0 | 109 | K910 Q911 C982 T983 T985 D988 | K910-T965 WeakPolarHBondContact O-CG2 3.18Å; Q911-T965 WeakPolarHBondContact O-CA 3.47Å; T965-C982 CarbonylContact O-C 3.58Å; T965-C982 VanDerWaalsContact O-CA 3.26Å; T965-C982 WeakPolarHBondContact O-CA 3.43Å; T965-C982 WeakPolarHBondContact O-CB 3.29Å; T965-T983 PolarHBondContact N-O 2.86Å; T965-T983 PolarHBondContact O-N 2.93Å; T965-T985 WeakPolarHBondContact OG1-CA 3.48Å; T965-T985 PolarHBondContact OG1-OG1 2.79Å; T965-D988 WeakPolarHBondContact CB-OD2 3.45Å; T965-D988 WeakPolarHBondContact CG2-OD2 3.45Å; T965-D988 PolarHBondContact OG1-OD2 3.23Å |
| 966 | F | 90.6 | Very high | 82.4 | Confident | 19 Ų | 19 | 60.8 Ų | 60.8 | 8% | 0.083 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 132.9 | -177.1 | 174.8 | -117.1 | 0 | 0 | 0 | 111.9 | L907 K908 K910 Q911 I913 Q968 Q980 | L907-F966 HydrophobicContact CB-CD1 3.69Å; L907-F966 HydrophobicContact CB-CE1 3.88Å; L907-F966 HydrophobicContact CB-CG 4.13Å; L907-F966 HydrophobicContact CB-CZ 4.48Å; L907-F966 HydrophobicContact CD1-CD2 4.22Å; L907-F966 HydrophobicContact CD1-CG 4.25Å; K908-F966 WeakPolarHBondContact O-CD1 3.26Å; K910-F966 PolarHBondContact N-O 3.45Å; Q911-F966 PolarHBondContact O-N 3.08Å; I913-F966 HydrophobicContact CD1-CB 4.02Å; F966-Q968 VanDerWaalsContact CE2-C 3.45Å; F966-Q968 VanDerWaalsContact CE2-O 3.27Å; F966-Q968 WeakPolarHBondContact CE2-O 3.33Å; F966-Q980 HydrophobicContact CD2-CB 4.01Å; F966-Q980 HydrophobicContact CE2-CB 3.96Å; F966-Q980 HydrophobicContact CE2-CG 4.48Å |
| 967 | R | 87.8 | Confident | 82.1 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -47.7 | -175.1 | -61.2 | -58 | -173.2 | 156 | -7.7 | 113.4 | V786 I790 Q909 L981 T983 D988 | V786-R967 VanDerWaalsContact CG1-CZ 3.45Å; I790-R967 HydrophobicContact CD1-CB 3.78Å; I790-R967 HydrophobicContact CD1-CG 3.84Å; I790-R967 HydrophobicContact CG1-CB 3.92Å; I790-R967 HydrophobicContact CG1-CG 3.97Å; Q909-R967 WeakPolarHBondContact CG-O 3.3Å; Q909-R967 PolarHBondContact NE2-O 3.36Å; R967-L981 PolarHBondContact N-O 2.82Å; R967-T983 HydrophobicContact CG-CG2 4.25Å; R967-T983 PolarHBondContact NE-OG1 3.44Å; R967-D988 IonicContact CZ-OD1 2.93Å; R967-D988 IonicContact NE-OD1 2.92Å; R967-D988 IonicContact NH2-OD1 2.74Å; R967-D988 PolarHBondContact NH2-OD1 3.24Å |
| 968 | Q | 88.4 | Confident | 82.1 | Confident | 99 Ų | 99 | 62.1 Ų | 62.1 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 156.9 | -178.5 | -169.1 | 172.8 | -1.3 | 0 | 0 | 110.6 | F966 L981 | F966-Q968 VanDerWaalsContact CE2-C 3.45Å; F966-Q968 VanDerWaalsContact CE2-O 3.27Å; F966-Q968 WeakPolarHBondContact CE2-O 3.33Å; Q968-L981 PolarHBondContact N-O 2.8Å; Q968-L981 WeakPolarHBondContact O-CA 3.4Å; Q968-L981 VanDerWaalsContact O-CB 3.24Å; Q968-L981 WeakPolarHBondContact O-CB 3.26Å; Q968-L981 PolarHBondContact O-N 2.84Å |
| 969 | S | 86.9 | Confident | 82.2 | Confident | 50 Ų | 50 | 60.8 Ų | 60.8 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 140.4 | 168.5 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | L979 | S969-L979 CarbonylContact C-O 3.54Å; S969-L979 WeakPolarHBondContact CA-O 3.34Å |
| 970 | F | 87.2 | Confident | 82.6 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.7 | 167.8 | -175.8 | -83.8 | 0 | 0 | 0 | 109 | N794 L797 E801 Q972 L979 L981 | N794-F970 WeakPolarHBondContact OD1-CD2 3.39Å; N794-F970 VanDerWaalsContact OD1-CE2 3.32Å; N794-F970 WeakPolarHBondContact OD1-CE2 3.5Å; L797-F970 HydrophobicContact CB-CD1 4.45Å; L797-F970 HydrophobicContact CB-CD2 4.19Å; L797-F970 HydrophobicContact CB-CE1 3.98Å; L797-F970 HydrophobicContact CB-CE2 3.68Å; L797-F970 HydrophobicContact CB-CZ 3.58Å; L797-F970 HydrophobicContact CD1-CB 4.34Å; L797-F970 HydrophobicContact CD1-CD1 4.07Å; L797-F970 HydrophobicContact CD1-CD2 4.05Å; L797-F970 HydrophobicContact CD1-CE1 4.42Å; L797-F970 HydrophobicContact CD1-CE2 4.39Å; L797-F970 HydrophobicContact CD1-CG 3.88Å; E801-F970 HydrophobicContact CG-CE1 4.3Å; E801-F970 HydrophobicContact CG-CZ 4.34Å; E801-F970 WeakPolarHBondContact OE2-CZ 3.34Å; F970-Q972 HydrophobicContact CD1-CG 4.31Å; F970-Q972 HydrophobicContact CE1-CG 4.36Å; F970-L979 HydrophobicContact CB-CB 4.37Å; F970-L979 HydrophobicContact CD1-CD1 4.49Å; F970-L979 PolarHBondContact N-O 2.86Å; F970-L979 PolarHBondContact O-N 2.9Å; F970-L981 HydrophobicContact CB-CD1 4.15Å; F970-L981 HydrophobicContact CB-CD2 3.87Å; F970-L981 HydrophobicContact CB-CG 3.96Å |
| 971 | E | 83.2 | Confident | 82.8 | Confident | 118 Ų | 118 | 57.2 Ų | 57.2 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 124.2 | -178.4 | -53.7 | -161.9 | 145.5 | 0 | 0 | 109.1 | K978 | E971-K978 HydrophobicContact CG-CD 4.25Å; E971-K978 VanDerWaalsContact OE1-CE 3.24Å; E971-K978 WeakPolarHBondContact OE1-CE 3.36Å; E971-K978 IonicContact OE1-NZ 2.63Å; E971-K978 PolarHBondContact OE1-NZ 2.92Å |
| 972 | Q | 78.8 | Confident | 82.9 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 130.5 | -179.3 | -69.5 | 178.2 | 106.7 | 0 | 0 | 110.8 | E801 I815 F970 N974 S975 T977 L979 | E801-Q972 VanDerWaalsContact OE1-CA 3.26Å; E801-Q972 WeakPolarHBondContact OE1-CA 3.16Å; I815-Q972 PolarHBondContact O-NE2 3.22Å; I815-Q972 PolarHBondContact O-OE1 2.89Å; F970-Q972 HydrophobicContact CD1-CG 4.31Å; F970-Q972 HydrophobicContact CE1-CG 4.36Å; Q972-N974 PolarHBondContact O-N 3.16Å; Q972-S975 PolarHBondContact O-N 3.29Å; Q972-T977 PolarHBondContact NE2-O 2.87Å; Q972-T977 PolarHBondContact NE2-OG1 3.28Å; Q972-L979 HydrophobicContact CG-CD1 3.86Å; Q972-L979 HydrophobicContact CG-CG 4.11Å |
| 973 | E | 70.5 | Confident | 83 | Confident | 56 Ų | 56 | 47.5 Ų | 47.5 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 128.1 | 172.5 | -77.6 | -170.3 | -175.9 | 0 | 0 | 111.1 | H640 E801 Q805 R814 S975 | H640-E973 IonicContact CD2-OE1 3.89Å; E801-E973 PolarHBondContact OE1-N 2.87Å; Q805-E973 PolarHBondContact NE2-OE2 3.25Å; R814-E973 PolarHBondContact NE-O 3.03Å; R814-E973 PolarHBondContact NH2-O 2.94Å; E973-S975 VanDerWaalsContact C-N 3.32Å; E973-S975 PolarHBondContact O-N 2.92Å |
| 974 | N | 67.6 | Low | 82.8 | Confident | 143 Ų | 143 | 41 Ų | 41 | 77% | 0.765 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | 23.4 | 177.2 | -57.4 | -69.9 | 0 | 0 | 0 | 116.2 | Q972 | Q972-N974 PolarHBondContact O-N 3.16Š|
| 975 | S | 70 | Confident | 82.5 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 19% | 0.189 | 23% | 0.225 | C | C | . | . | trans | -119.3 | 152.8 | 162.1 | -167.5 | 0 | 0 | 0 | 0 | 111.5 | D817 Q972 E973 T977 | D817-S975 PolarHBondContact OD1-OG 3.26Å; Q972-S975 PolarHBondContact O-N 3.29Å; E973-S975 VanDerWaalsContact C-N 3.32Å; E973-S975 PolarHBondContact O-N 2.92Å; S975-T977 PolarHBondContact OG-N 3.35Å; S975-T977 PolarHBondContact OG-OG1 3.21Å | ||
| 976 | S | 66 | Low | 81.9 | Confident | 121 Ų | 121 | 47.9 Ų | 47.9 | 85% | 0.846 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -78 | -7.4 | 169 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 977 | T | 71.5 | Confident | 81 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -101.6 | 117.1 | -171.9 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | I815 Q972 S975 | I815-T977 PolarHBondContact O-OG1 3.05Å; I815-T977 VanDerWaalsContact O-OG1 3.12Å; Q972-T977 PolarHBondContact NE2-O 2.87Å; Q972-T977 PolarHBondContact NE2-OG1 3.28Å; S975-T977 PolarHBondContact OG-N 3.35Å; S975-T977 PolarHBondContact OG-OG1 3.21Å |
| 978 | K | 81.6 | Confident | 80.3 | Confident | 107 Ų | 107 | 47.8 Ų | 47.8 | 47% | 0.465 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.9 | 173.2 | -58.3 | -168.4 | -174.7 | -166 | 0 | 110.3 | E971 Q980 | E971-K978 HydrophobicContact CG-CD 4.25Å; E971-K978 VanDerWaalsContact OE1-CE 3.24Å; E971-K978 WeakPolarHBondContact OE1-CE 3.36Å; E971-K978 IonicContact OE1-NZ 2.63Å; E971-K978 PolarHBondContact OE1-NZ 2.92Å; K978-Q980 PolarHBondContact O-NE2 2.83Å |
| 979 | L | 88 | Confident | 79.2 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 134.9 | 177.7 | -66 | 175 | 0 | 0 | 0 | 110.2 | I815 L938 V940 S969 F970 Q972 | I815-L979 HydrophobicContact CB-CD1 4.41Å; I815-L979 HydrophobicContact CB-CD2 4.16Å; I815-L979 HydrophobicContact CG2-CD2 3.87Å; L938-L979 HydrophobicContact CB-CD2 4.08Å; V940-L979 HydrophobicContact CG2-CB 4.37Å; V940-L979 HydrophobicContact CG2-CD1 4.15Å; V940-L979 HydrophobicContact CG2-CD2 4.41Å; S969-L979 CarbonylContact C-O 3.54Å; S969-L979 WeakPolarHBondContact CA-O 3.34Å; F970-L979 HydrophobicContact CB-CB 4.37Å; F970-L979 HydrophobicContact CD1-CD1 4.49Å; F970-L979 PolarHBondContact N-O 2.86Å; F970-L979 PolarHBondContact O-N 2.9Å; Q972-L979 HydrophobicContact CG-CD1 3.86Å; Q972-L979 HydrophobicContact CG-CG 4.11Å |
| 980 | Q | 90.2 | Very high | 78 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 107.1 | -179.1 | -50.3 | -53.5 | -54.3 | 0 | 0 | 110.4 | L907 L930 L937 L938 S939 V940 F966 K978 C982 | L907-Q980 HydrophobicContact CD1-CB 4.48Å; L907-Q980 HydrophobicContact CD1-CG 3.98Å; L930-Q980 HydrophobicContact CD1-CG 4.3Å; L937-Q980 HydrophobicContact CB-CG 4.43Å; L937-Q980 HydrophobicContact CD1-CG 4.13Å; L937-Q980 HydrophobicContact CD2-CG 4.35Å; L938-Q980 WeakPolarHBondContact O-CG 3.38Å; L938-Q980 PolarHBondContact O-N 2.93Å; S939-Q980 CarbonylContact C-O 3.46Å; S939-Q980 WeakPolarHBondContact CA-O 3.48Å; S939-Q980 WeakPolarHBondContact CB-O 3.49Å; V940-Q980 PolarHBondContact N-O 3.48Å; F966-Q980 HydrophobicContact CD2-CB 4.01Å; F966-Q980 HydrophobicContact CE2-CB 3.96Å; F966-Q980 HydrophobicContact CE2-CG 4.48Å; K978-Q980 PolarHBondContact O-NE2 2.83Å; Q980-C982 PolarHBondContact O-N 2.88Å; Q980-C982 PolarHBondContact O-SG 3Å; Q980-C982 VanDerWaalsContact O-SG 3.37Å |
| 981 | L | 91.1 | Very high | 76.4 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123.4 | 175.7 | -51.4 | -173.4 | 0 | 0 | 0 | 109.9 | I790 I793 N794 L797 V940 R967 Q968 F970 | I790-L981 HydrophobicContact CD1-CB 4.21Å; I790-L981 HydrophobicContact CG2-CB 4.46Å; I790-L981 HydrophobicContact CG2-CD1 4.21Å; I793-L981 HydrophobicContact CG2-CD2 3.9Å; N794-L981 HydrophobicContact CB-CD1 4.48Å; L797-L981 HydrophobicContact CD1-CD2 3.75Å; V940-L981 HydrophobicContact CB-CD2 4.24Å; R967-L981 PolarHBondContact N-O 2.82Å; Q968-L981 PolarHBondContact N-O 2.8Å; Q968-L981 WeakPolarHBondContact O-CA 3.4Å; Q968-L981 VanDerWaalsContact O-CB 3.24Å; Q968-L981 WeakPolarHBondContact O-CB 3.26Å; Q968-L981 PolarHBondContact O-N 2.84Å; F970-L981 HydrophobicContact CB-CD1 4.15Å; F970-L981 HydrophobicContact CB-CD2 3.87Å; F970-L981 HydrophobicContact CB-CG 3.96Å |
| 982 | C | 89.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 156.8 | -172.1 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | V940 V941 I964 T965 Q980 | V940-C982 PolarHBondContact O-N 2.8Å; V941-C982 HydrophobicContact CG2-CB 3.81Å; I964-C982 HydrophobicContact CB-CB 4.18Å; I964-C982 HydrophobicContact CD1-CB 3.7Å; I964-C982 HydrophobicContact CG1-CB 4.21Å; T965-C982 CarbonylContact O-C 3.58Å; T965-C982 VanDerWaalsContact O-CA 3.26Å; T965-C982 WeakPolarHBondContact O-CA 3.43Å; T965-C982 WeakPolarHBondContact O-CB 3.29Å; Q980-C982 PolarHBondContact O-N 2.88Å; Q980-C982 PolarHBondContact O-SG 3Å; Q980-C982 VanDerWaalsContact O-SG 3.37Å |
| 983 | T | 86.7 | Confident | 72 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 156.8 | 164.6 | 45.9 | 0 | 0 | 0 | 0 | 110.8 | V786 I790 I964 T965 R967 D988 | V786-T983 HydrophobicContact CG1-CG2 4.07Å; I790-T983 HydrophobicContact CD1-CG2 4.09Å; I790-T983 HydrophobicContact CG1-CG2 4.22Å; I964-T983 CarbonylContact C-O 3.56Å; I964-T983 WeakPolarHBondContact CA-O 3.29Å; I964-T983 VanDerWaalsContact CB-O 3.29Å; I964-T983 WeakPolarHBondContact CB-O 3.33Å; T965-T983 PolarHBondContact N-O 2.86Å; T965-T983 PolarHBondContact O-N 2.93Å; R967-T983 HydrophobicContact CG-CG2 4.25Å; R967-T983 PolarHBondContact NE-OG1 3.44Å; T983-D988 PolarHBondContact OG1-OD1 2.76Å |
| 984 | L | 84.9 | Confident | 70.3 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 134.5 | 161 | -82.2 | 163.2 | 0 | 0 | 0 | 109 | V941 N954 W956 N962 I964 I986 Y987 | V941-L984 HydrophobicContact CG1-CG 4.26Å; N954-L984 VanDerWaalsContact ND2-CD1 3.29Å; N954-L984 WeakPolarHBondContact ND2-CD1 3.34Å; W956-L984 HydrophobicContact CH2-CD1 3.65Å; W956-L984 HydrophobicContact CH2-CD2 3.73Å; W956-L984 HydrophobicContact CH2-CG 3.67Å; W956-L984 HydrophobicContact CZ2-CD1 3.45Å; W956-L984 VanDerWaalsContact CZ2-CD1 3.45Å; W956-L984 HydrophobicContact CZ2-CD2 4.41Å; W956-L984 HydrophobicContact CZ2-CG 3.95Å; W956-L984 HydrophobicContact CZ3-CD2 4.3Å; N962-L984 HydrophobicContact CB-CD2 3.94Å; I964-L984 HydrophobicContact CG2-CD2 4.26Å; L984-I986 HydrophobicContact CB-CG1 3.91Å; L984-I986 PolarHBondContact O-N 3.24Å; L984-I986 VanDerWaalsContact O-N 3.16Å; L984-Y987 HydrophobicContact CB-CD1 4.38Å; L984-Y987 HydrophobicContact CB-CD2 3.94Å; L984-Y987 HydrophobicContact CB-CE1 4.42Å; L984-Y987 HydrophobicContact CB-CE2 4.01Å; L984-Y987 HydrophobicContact CB-CG 4.12Å; L984-Y987 HydrophobicContact CD1-CD2 4.48Å; L984-Y987 HydrophobicContact CD1-CE1 4.29Å; L984-Y987 HydrophobicContact CD1-CE2 3.71Å; L984-Y987 WeakPolarHBondContact CD1-OH 3.43Å; L984-Y987 HydrophobicContact CG-CE2 4.4Å; L984-Y987 WeakPolarHBondContact O-CB 3.5Å; L984-Y987 PolarHBondContact O-N 3.35Å |
| 985 | T | 83.4 | Confident | 68.5 | Low | 24 Ų | 24 | 68 Ų | 68 | 15% | 0.147 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -61.3 | -27.8 | -176.7 | -60.5 | 0 | 0 | 0 | 0 | 112.8 | Q912 K963 I964 T965 Y987 D988 | Q912-T985 HydrophobicContact CG-CG2 3.85Å; Q912-T985 VanDerWaalsContact NE2-CG2 3.33Å; K963-T985 VanDerWaalsContact C-OG1 3.3Å; K963-T985 PolarHBondContact O-N 2.84Å; K963-T985 VanDerWaalsContact O-N 3.11Å; K963-T985 PolarHBondContact O-OG1 3.43Å; I964-T985 VanDerWaalsContact C-OG1 3.25Å; I964-T985 WeakPolarHBondContact CA-OG1 3.44Å; I964-T985 PolarHBondContact N-OG1 3.32Å; T965-T985 WeakPolarHBondContact OG1-CA 3.48Å; T965-T985 PolarHBondContact OG1-OG1 2.79Å; T985-Y987 PolarHBondContact O-N 2.8Å; T985-Y987 VanDerWaalsContact O-N 3.12Å; T985-D988 WeakPolarHBondContact O-CB 3.36Å; T985-D988 PolarHBondContact O-N 2.92Å |
| 986 | I | 76.8 | Confident | 66.5 | Low | 120 Ų | 120 | 76.4 Ų | 76.4 | 62% | 0.615 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -66.7 | -4.7 | 172.4 | 54.7 | 159.8 | 0 | 0 | 0 | 114.2 | L984 | L984-I986 HydrophobicContact CB-CG1 3.91Å; L984-I986 PolarHBondContact O-N 3.24Å; L984-I986 VanDerWaalsContact O-N 3.16Å |
| 987 | Y | 71.7 | Confident | 64.7 | Low | 15 Ų | 15 | 75.9 Ų | 75.9 | 6% | 0.059 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -108.2 | -3.3 | 177 | -56 | -10.7 | 0 | 0 | 0 | 113.1 | V786 R945 G952 L984 T985 | V786-Y987 WeakPolarHBondContact CG2-O 3.36Å; R945-Y987 HydrophobicContact CG-CD2 3.62Å; R945-Y987 HydrophobicContact CG-CE2 3.67Å; R945-Y987 HydrophobicContact CG-CG 4.28Å; R945-Y987 VanDerWaalsContact NE-CD1 3.31Å; R945-Y987 VanDerWaalsContact NE-CG 3.27Å; G952-Y987 PolarHBondContact O-OH 3.2Å; L984-Y987 HydrophobicContact CB-CD1 4.38Å; L984-Y987 HydrophobicContact CB-CD2 3.94Å; L984-Y987 HydrophobicContact CB-CE1 4.42Å; L984-Y987 HydrophobicContact CB-CE2 4.01Å; L984-Y987 HydrophobicContact CB-CG 4.12Å; L984-Y987 HydrophobicContact CD1-CD2 4.48Å; L984-Y987 HydrophobicContact CD1-CE1 4.29Å; L984-Y987 HydrophobicContact CD1-CE2 3.71Å; L984-Y987 WeakPolarHBondContact CD1-OH 3.43Å; L984-Y987 HydrophobicContact CG-CE2 4.4Å; L984-Y987 WeakPolarHBondContact O-CB 3.5Å; L984-Y987 PolarHBondContact O-N 3.35Å; T985-Y987 PolarHBondContact O-N 2.8Å; T985-Y987 VanDerWaalsContact O-N 3.12Å |
| 988 | D | 73.2 | Confident | 62.6 | Low | 29 Ų | 29 | 79.6 Ų | 79.6 | 16% | 0.155 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -67.3 | 143.9 | 171 | -55.8 | -23.7 | 0 | 0 | 0 | 108.8 | T965 R967 T983 T985 I990 | T965-D988 WeakPolarHBondContact CB-OD2 3.45Å; T965-D988 WeakPolarHBondContact CG2-OD2 3.45Å; T965-D988 PolarHBondContact OG1-OD2 3.23Å; R967-D988 IonicContact CZ-OD1 2.93Å; R967-D988 IonicContact NE-OD1 2.92Å; R967-D988 IonicContact NH2-OD1 2.74Å; R967-D988 PolarHBondContact NH2-OD1 3.24Å; T983-D988 PolarHBondContact OG1-OD1 2.76Å; T985-D988 WeakPolarHBondContact O-CB 3.36Å; T985-D988 PolarHBondContact O-N 2.92Å; D988-I990 PolarHBondContact O-N 3.14Å |
| 989 | P | 65.3 | Low | 60.1 | Low | 31 Ų | 31 | 79.7 Ų | 79.7 | 20% | 0.201 | 42% | 0.42 | C | S | . | . | trans | -57.6 | 139.8 | 173.5 | 22.9 | -31.9 | 0 | 0 | 0 | 110.3 | E991 | P989-E991 PolarHBondContact O-N 2.94Š| ||
| 990 | I | 60.5 | Low | 57.3 | Low | 155 Ų | 155 | 85.5 Ų | 85.5 | 80% | 0.795 | 45% | 0.452 | S | S | * | . | trans | -69.9 | 104.8 | 163.3 | -59.2 | 174.1 | 0 | 0 | 0 | 105.6 | D988 D992 | D988-I990 PolarHBondContact O-N 3.14Å; I990-D992 PolarHBondContact O-N 3.35Å | ||
| 991 | E | 53.5 | Low | 54.4 | Low | 140 Ų | 140 | 92.5 Ų | 92.5 | 65% | 0.654 | 48% | 0.482 | S | S | * | . | trans | -65.8 | 104.2 | 167.2 | -69.9 | 176.8 | -180 | 0 | 0 | 107.2 | P989 N993 | P989-E991 PolarHBondContact O-N 2.94Å; E991-N993 PolarHBondContact O-N 3.18Å | ||
| 992 | D | 39.7 | Very low | 51.3 | Low | 127 Ų | 127 | 100.5 Ų | 100.5 | 68% | 0.679 | 52% | 0.519 | S | S | * | . | trans | -52.6 | 135.1 | 166.5 | -85 | -41 | 0 | 0 | 0 | 108.2 | I990 Q994 | I990-D992 PolarHBondContact O-N 3.35Å; D992-Q994 HydrophobicContact CB-CG 4.24Å; D992-Q994 PolarHBondContact O-N 3.48Å | ||
| 993 | N | 30.6 | Very low | 48.3 | Very low | 168 Ų | 168 | 107.3 Ų | 107.3 | 90% | 0.898 | 56% | 0.556 | S | S | * | * | trans | -76 | 65.3 | 179.4 | -83.5 | -96.9 | 0 | 0 | 0 | 110.5 | E991 I995 | E991-N993 PolarHBondContact O-N 3.18Å; N993-I995 PolarHBondContact O-N 2.87Å; N993-I995 VanDerWaalsContact O-N 3.08Å | ||
| 994 | Q | 33.6 | Very low | 45.5 | Very low | 161 Ų | 161 | 114 Ų | 114 | 75% | 0.752 | 59% | 0.591 | S | S | * | * | trans | -70.9 | 100.3 | 169 | -64.6 | -168.5 | 1.3 | 0 | 0 | 109 | D992 | D992-Q994 HydrophobicContact CB-CG 4.24Å; D992-Q994 PolarHBondContact O-N 3.48Å | ||
| 995 | I | 31.5 | Very low | 42.7 | Very low | 144 Ų | 144 | 118.9 Ų | 118.9 | 74% | 0.738 | 63% | 0.626 | S | S | * | * | trans | 40.7 | 102 | 132.1 | -55.9 | 166.3 | 0 | 0 | 0 | 114.7 | N993 T997 | N993-I995 PolarHBondContact O-N 2.87Å; N993-I995 VanDerWaalsContact O-N 3.08Å; I995-T997 PolarHBondContact O-N 3.41Å | ||
| 996 | K | 26.7 | Very low | 40.1 | Very low | 203 Ų | 203 | 122.5 Ų | 122.5 | 88% | 0.883 | 65% | 0.652 | S | S | * | * | trans | -74.4 | 99.9 | 169.4 | -73.6 | -178 | 175.1 | -179 | 0 | 111.6 | ||||
| 997 | T | 28.3 | Very low | 37.8 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | trans | -147.4 | 93 | 156.8 | 45.5 | 0 | 0 | 0 | 0 | 108 | I995 | I995-T997 PolarHBondContact O-N 3.41Š| ||
| 998 | T | 28.8 | Very low | 35.7 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | 51.4 | 114.3 | 81.4 | 66.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 999 | S | 28.6 | Very low | 33.5 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | trans | 59.7 | 145 | 161 | 46.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1000 | D | 28.4 | Very low | 31.7 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | cis | -158.3 | -169.2 | -16.1 | -136.5 | -64.1 | 0 | 0 | 0 | 109.1 | ||||
| 1001 | K | 29.1 | Very low | 30.1 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 70% | 0.7 | 74% | 0.74 | S | S | * | * | trans | -29.9 | 139.9 | 172.4 | -54.6 | 127.1 | -165.7 | 159.3 | 0 | 117.3 | ||||
| 1002 | Q | 27.2 | Very low | 28.8 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | 54.9 | 120 | 137.8 | -65.8 | 176 | -35.9 | 0 | 0 | 120.2 | ||||
| 1003 | N | 27.1 | Very low | 28.3 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | 74.7 | 146.4 | 148 | -59.2 | -8.3 | 0 | 0 | 0 | 119.9 | ||||
| 1004 | N | 27.1 | Very low | 28.2 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 72.3 | 97.3 | 150.7 | -62.8 | -1.2 | 0 | 0 | 0 | 120.8 | ||||
| 1005 | S | 26.8 | Very low | 27.8 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | 76 | 148.9 | 122.4 | 62.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1006 | S | 28.8 | Very low | 27.7 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | 68.1 | 94.8 | 152.6 | 47.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1007 | S | 27.8 | Very low | 27.9 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | 77.8 | 118.7 | 111.4 | 72.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1008 | I | 26.8 | Very low | 27.9 | Very low | 144 Ų | 144 | 132 Ų | 132 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | 82.6 | 98 | 120.4 | -67.9 | 173.5 | 0 | 0 | 0 | 119.6 | |||||
| 1009 | T | 26.5 | Very low | 27.9 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 73.1 | 164.7 | 135.3 | 64.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1010 | N | 28.6 | Very low | 27.9 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | 83.4 | 86.3 | 165.3 | -60.5 | -2.4 | 0 | 0 | 0 | 118.3 | ||||
| 1011 | E | 26.4 | Very low | 28 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | 51.1 | 139 | 110.7 | -67.8 | -174.9 | 151.7 | 0 | 0 | 122.1 | |||||
| 1012 | E | 26.8 | Very low | 28.1 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 49.2 | 106.6 | 154.5 | -60.1 | -166.4 | 159.2 | 0 | 0 | 119.4 | ||||
| 1013 | N | 28.2 | Very low | 28.9 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | -167.5 | 147.1 | 107.3 | -103.7 | -69.9 | 0 | 0 | 0 | 115.2 | |||||
| 1014 | I | 28.3 | Very low | 30.3 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 82% | 0.821 | 75% | 0.749 | S | S | * | * | trans | 6.8 | 137.6 | 142.3 | -53.3 | 167.1 | 0 | 0 | 0 | 117.2 | ||||
| 1015 | G | 26.7 | Very low | 31.8 | Very low | 72 Ų | 72 | 130.3 Ų | 130.3 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | cis | 154.1 | 167 | 2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1016 | G | 28.7 | Very low | 34 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | trans | 95.9 | 149 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1017 | I | 31.6 | Very low | 36.2 | Very low | 172 Ų | 172 | 128.4 Ų | 128.4 | 88% | 0.882 | 70% | 0.703 | S | S | * | * | cis | -115.2 | 125 | 9.3 | -66.5 | 167.8 | 0 | 0 | 0 | 110.1 | ||||
| 1018 | L | 26.8 | Very low | 38.3 | Very low | 144 Ų | 144 | 126.4 Ų | 126.4 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | trans | -126 | 95.4 | -179 | -143.9 | 175.3 | 0 | 0 | 0 | 109.6 | K1020 | L1018-K1020 HydrophobicContact CD2-CG 4.23Å; L1018-K1020 PolarHBondContact O-N 2.92Å | ||
| 1019 | K | 30.1 | Very low | 40.8 | Very low | 203 Ų | 203 | 122.1 Ų | 122.1 | 88% | 0.883 | 68% | 0.683 | S | S | * | * | trans | -85.6 | 96.9 | 167.3 | -87.2 | -167.3 | 172.2 | -176.7 | 0 | 109.3 | S1021 | K1019-S1021 PolarHBondContact O-N 2.98Š| ||
| 1020 | K | 28.4 | Very low | 43.5 | Very low | 179 Ų | 179 | 120.3 Ų | 120.3 | 78% | 0.778 | 67% | 0.667 | S | S | * | * | trans | -53.4 | 128.6 | 179.2 | -62.1 | 171.1 | 177.7 | 177.8 | 0 | 111.4 | L1018 | L1018-K1020 HydrophobicContact CD2-CG 4.23Å; L1018-K1020 PolarHBondContact O-N 2.92Å | ||
| 1021 | S | 30 | Very low | 46.2 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 72% | 0.72 | 66% | 0.663 | S | S | * | * | trans | -106.1 | 147.9 | 141.8 | 53.2 | 0 | 0 | 0 | 0 | 107.6 | K1019 L1023 | K1019-S1021 PolarHBondContact O-N 2.98Å; S1021-L1023 PolarHBondContact O-N 3.28Å | ||
| 1022 | N | 30.8 | Very low | 49 | Very low | 143 Ų | 143 | 112.4 Ų | 112.4 | 77% | 0.765 | 63% | 0.626 | S | S | * | * | trans | -75.5 | 92.6 | -163 | -65.6 | -10.2 | 0 | 0 | 0 | 112.3 | I1024 | N1022-I1024 PolarHBondContact O-N 3.37Å; N1022-I1024 VanDerWaalsContact O-N 3.11Å | ||
| 1023 | L | 45.1 | Very low | 51.8 | Low | 139 Ų | 139 | 108 Ų | 108 | 73% | 0.728 | 61% | 0.614 | S | S | * | * | trans | -69.3 | 96.1 | 159.7 | -84.4 | 143.7 | 0 | 0 | 0 | 108.7 | S1021 T1025 | S1021-L1023 PolarHBondContact O-N 3.28Å; L1023-T1025 PolarHBondContact O-N 2.87Å | ||
| 1024 | I | 56.8 | Low | 54.6 | Low | 89 Ų | 89 | 104.6 Ų | 104.6 | 46% | 0.456 | 60% | 0.596 | S | S | . | * | trans | -68.8 | 120.7 | 170.1 | -60.5 | -175.8 | 0 | 0 | 0 | 107.7 | N1022 F1026 P1055 | N1022-I1024 PolarHBondContact O-N 3.37Å; N1022-I1024 VanDerWaalsContact O-N 3.11Å; I1024-F1026 HydrophobicContact CB-CZ 4.36Å; I1024-F1026 HydrophobicContact CG2-CD1 4.21Å; I1024-F1026 HydrophobicContact CG2-CE1 3.71Å; I1024-F1026 HydrophobicContact CG2-CE2 4.46Å; I1024-F1026 HydrophobicContact CG2-CZ 3.85Å; I1024-P1055 HydrophobicContact CB-CB 4.47Å; I1024-P1055 HydrophobicContact CB-CG 4.04Å; I1024-P1055 HydrophobicContact CD1-CG 4.03Å; I1024-P1055 HydrophobicContact CG1-CG 4.22Å | ||
| 1025 | T | 57.1 | Low | 57.4 | Low | 75 Ų | 75 | 97 Ų | 97 | 46% | 0.46 | 56% | 0.557 | S | S | . | * | trans | -82.9 | 130.9 | 171.2 | 14.2 | 0 | 0 | 0 | 0 | 108.3 | L1023 Y1095 L1096 | L1023-T1025 PolarHBondContact O-N 2.87Å; T1025-Y1095 HydrophobicContact CG2-CE1 3.54Å; T1025-Y1095 VanDerWaalsContact CG2-OH 3.28Å; T1025-Y1095 WeakPolarHBondContact CG2-OH 3.34Å; T1025-L1096 HydrophobicContact CG2-CD1 4.07Å | ||
| 1026 | F | 74.1 | Confident | 60.5 | Low | 12 Ų | 12 | 96.2 Ų | 96.2 | 5% | 0.053 | 53% | 0.532 | C | S | . | . | trans | -108.8 | 143.2 | 169.8 | -54.3 | -74.1 | 0 | 0 | 0 | 110 | I1024 E1030 I1032 V1049 P1055 V1057 V1091 S1094 | I1024-F1026 HydrophobicContact CB-CZ 4.36Å; I1024-F1026 HydrophobicContact CG2-CD1 4.21Å; I1024-F1026 HydrophobicContact CG2-CE1 3.71Å; I1024-F1026 HydrophobicContact CG2-CE2 4.46Å; I1024-F1026 HydrophobicContact CG2-CZ 3.85Å; F1026-E1030 WeakPolarHBondContact CA-OE2 3.27Å; F1026-I1032 HydrophobicContact CD1-CD1 3.58Å; F1026-I1032 HydrophobicContact CD1-CG1 4.07Å; F1026-I1032 HydrophobicContact CD2-CD1 4.24Å; F1026-I1032 HydrophobicContact CE1-CD1 3.66Å; F1026-I1032 HydrophobicContact CE1-CG1 4.15Å; F1026-I1032 HydrophobicContact CE2-CD1 4.32Å; F1026-I1032 HydrophobicContact CG-CD1 3.88Å; F1026-I1032 HydrophobicContact CZ-CD1 4.05Å; F1026-V1049 HydrophobicContact CE1-CG2 4.49Å; F1026-V1049 HydrophobicContact CE2-CG2 4.42Å; F1026-V1049 HydrophobicContact CZ-CB 4.23Å; F1026-V1049 HydrophobicContact CZ-CG1 4.39Å; F1026-V1049 HydrophobicContact CZ-CG2 3.75Å; F1026-P1055 HydrophobicContact CE2-CB 4.49Å; F1026-P1055 HydrophobicContact CE2-CG 4.45Å; F1026-P1055 HydrophobicContact CZ-CG 4.11Å; F1026-V1057 HydrophobicContact CD2-CG1 4.04Å; F1026-V1057 HydrophobicContact CE2-CG1 3.62Å; F1026-V1057 HydrophobicContact CZ-CG1 4.28Å; F1026-V1091 HydrophobicContact CB-CG1 4.48Å; F1026-V1091 HydrophobicContact CB-CG2 3.99Å; F1026-S1094 VanDerWaalsContact O-CB 3.26Å; F1026-S1094 WeakPolarHBondContact O-CB 3.42Å; F1026-S1094 PolarHBondContact O-OG 3.45Å | ||
| 1027 | Q | 74.4 | Confident | 63.5 | Low | 153 Ų | 153 | 92.9 Ų | 92.9 | 72% | 0.715 | 50% | 0.495 | S | S | * | . | trans | -91.7 | 151.6 | 174.2 | -63.7 | -169.6 | -8.5 | 0 | 0 | 111.5 | G1029 E1030 V1091 | Q1027-G1029 PolarHBondContact O-N 2.76Å; Q1027-E1030 HydrophobicContact CB-CB 4.47Å; Q1027-E1030 PolarHBondContact N-OE2 2.93Å; Q1027-E1030 WeakPolarHBondContact O-CB 3.5Å; Q1027-E1030 PolarHBondContact O-N 3.08Å; Q1027-E1030 VanDerWaalsContact O-N 3.14Å; Q1027-V1091 VanDerWaalsContact O-CB 3.28Å; Q1027-V1091 WeakPolarHBondContact O-CB 3.28Å; Q1027-V1091 WeakPolarHBondContact O-CG1 3.38Å | ||
| 1028 | A | 72.3 | Confident | 66.2 | Low | 57 Ų | 57 | 86.1 Ų | 86.1 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 130.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1029 | G | 78.6 | Confident | 69.1 | Low | 54 Ų | 54 | 81.7 Ų | 81.7 | 56% | 0.557 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89 | -8.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q1027 V1091 | Q1027-G1029 PolarHBondContact O-N 2.76Å; G1029-V1091 PolarHBondContact N-O 2.96Å |
| 1030 | E | 83.2 | Confident | 71.7 | Confident | 78 Ų | 78 | 74.4 Ų | 74.4 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | trans | -65.8 | 141.7 | 177.6 | -169 | 177.5 | 166.8 | 0 | 0 | 111.7 | F1026 Q1027 T1090 V1091 | F1026-E1030 WeakPolarHBondContact CA-OE2 3.27Å; Q1027-E1030 HydrophobicContact CB-CB 4.47Å; Q1027-E1030 PolarHBondContact N-OE2 2.93Å; Q1027-E1030 WeakPolarHBondContact O-CB 3.5Å; Q1027-E1030 PolarHBondContact O-N 3.08Å; Q1027-E1030 VanDerWaalsContact O-N 3.14Å; E1030-T1090 CarbonylContact O-C 3.51Å; E1030-T1090 WeakPolarHBondContact O-CA 3.49Å; E1030-V1091 HydrophobicContact CB-CG2 4.28Å; E1030-V1091 PolarHBondContact O-N 3.29Å | ||
| 1031 | Q | 86.5 | Confident | 74.1 | Confident | 135 Ų | 135 | 68.5 Ų | 68.5 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 121.4 | 177.2 | -76.7 | -173.3 | -2.8 | 0 | 0 | 111.2 | I1088 A1089 T1090 | Q1031-I1088 HydrophobicContact CB-CG2 3.83Å; Q1031-I1088 HydrophobicContact CG-CG2 4.01Å; Q1031-A1089 WeakPolarHBondContact CA-O 3.05Å; Q1031-T1090 HydrophobicContact CG-CG2 3.64Å |
| 1032 | I | 83.9 | Confident | 76.1 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 4% | 0.036 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.3 | 179.8 | -56.7 | 179.6 | 0 | 0 | 0 | 109.8 | F1026 L1035 V1049 V1057 A1089 V1091 I1116 | F1026-I1032 HydrophobicContact CD1-CD1 3.58Å; F1026-I1032 HydrophobicContact CD1-CG1 4.07Å; F1026-I1032 HydrophobicContact CD2-CD1 4.24Å; F1026-I1032 HydrophobicContact CE1-CD1 3.66Å; F1026-I1032 HydrophobicContact CE1-CG1 4.15Å; F1026-I1032 HydrophobicContact CE2-CD1 4.32Å; F1026-I1032 HydrophobicContact CG-CD1 3.88Å; F1026-I1032 HydrophobicContact CZ-CD1 4.05Å; I1032-L1035 HydrophobicContact CG2-CD1 4.43Å; I1032-L1035 HydrophobicContact CG2-CD2 3.82Å; I1032-L1035 HydrophobicContact CG2-CG 4.01Å; I1032-V1049 HydrophobicContact CG2-CB 4.39Å; I1032-V1049 HydrophobicContact CG2-CG1 3.64Å; I1032-V1049 HydrophobicContact CG2-CG2 3.81Å; I1032-V1057 HydrophobicContact CD1-CG1 4.11Å; I1032-A1089 PolarHBondContact N-O 2.88Å; I1032-A1089 PolarHBondContact O-N 3.41Å; I1032-V1091 HydrophobicContact CD1-CG2 3.5Å; I1032-V1091 HydrophobicContact CG1-CG2 3.95Å; I1032-I1116 HydrophobicContact CD1-CG2 4.14Å |
| 1033 | S | 85.4 | Confident | 78.5 | Confident | 75 Ų | 75 | 61.5 Ų | 61.5 | 52% | 0.524 | 35% | 0.353 | S | S | . | . | trans | -114.9 | -179.7 | 169.2 | 56 | 0 | 0 | 0 | 0 | 110.3 | L1035 | S1033-L1035 VanDerWaalsContact C-N 3.33Å; S1033-L1035 PolarHBondContact O-N 2.84Å | ||
| 1034 | D | 87.2 | Confident | 80.4 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | trans | 52.1 | 46.8 | -178.3 | -70.8 | -4.2 | 0 | 0 | 0 | 114 | Y1036 G1050 K1084 | D1034-Y1036 HydrophobicContact CB-CE2 4.5Å; D1034-Y1036 WeakPolarHBondContact O-CD2 3.27Å; D1034-G1050 PolarHBondContact O-N 3.04Å; D1034-K1084 WeakPolarHBondContact OD1-CE 3.43Å; D1034-K1084 IonicContact OD1-NZ 2.99Å; D1034-K1084 PolarHBondContact OD1-NZ 3.46Å; D1034-K1084 IonicContact OD2-NZ 3.15Å | ||
| 1035 | L | 88.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 121.5 | 174.8 | -71.5 | 163.1 | 0 | 0 | 0 | 110.6 | I1032 S1033 F1047 V1049 V1057 I1085 A1089 I1116 F1118 | I1032-L1035 HydrophobicContact CG2-CD1 4.43Å; I1032-L1035 HydrophobicContact CG2-CD2 3.82Å; I1032-L1035 HydrophobicContact CG2-CG 4.01Å; S1033-L1035 VanDerWaalsContact C-N 3.33Å; S1033-L1035 PolarHBondContact O-N 2.84Å; L1035-F1047 HydrophobicContact CB-CB 4.35Å; L1035-F1047 HydrophobicContact CD2-CB 3.82Å; L1035-V1049 HydrophobicContact CD2-CG2 3.96Å; L1035-V1057 HydrophobicContact CD2-CG2 3.58Å; L1035-I1085 HydrophobicContact CB-CB 4.21Å; L1035-I1085 PolarHBondContact O-N 3.46Å; L1035-A1089 HydrophobicContact CD1-CB 3.64Å; L1035-I1116 HydrophobicContact CD1-CD1 4.32Å; L1035-I1116 HydrophobicContact CD2-CD1 4.49Å; L1035-F1118 HydrophobicContact CD1-CE1 4.1Å; L1035-F1118 HydrophobicContact CD1-CZ 4.09Å |
| 1036 | Y | 90.7 | Very high | 83.5 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 22% | 0.22 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.1 | 173.4 | -67.2 | -92.8 | 0 | 0 | 0 | 109.8 | D1034 F1047 A1048 G1050 I1052 G1082 A1083 K1084 | D1034-Y1036 HydrophobicContact CB-CE2 4.5Å; D1034-Y1036 WeakPolarHBondContact O-CD2 3.27Å; Y1036-F1047 CarbonylContact O-C 3.57Å; Y1036-F1047 WeakPolarHBondContact O-CA 3.5Å; Y1036-A1048 PolarHBondContact N-O 3.42Å; Y1036-A1048 PolarHBondContact O-N 2.79Å; Y1036-G1050 WeakPolarHBondContact CE2-O 3.25Å; Y1036-I1052 HydrophobicContact CD1-CG1 4.36Å; Y1036-I1052 HydrophobicContact CG-CG1 4.43Å; Y1036-G1082 WeakPolarHBondContact CD1-O 3.36Å; Y1036-A1083 WeakPolarHBondContact CA-O 3.42Å; Y1036-K1084 HydrophobicContact CD1-CB 4.41Å; Y1036-K1084 HydrophobicContact CE1-CB 4.14Å |
| 1037 | F | 91.7 | Very high | 84.3 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 131.4 | 179 | 178.3 | -101.9 | 0 | 0 | 0 | 111.8 | I1040 F1047 F1074 P1078 P1079 G1082 A1083 I1085 | F1037-I1040 HydrophobicContact CE2-CD1 4.34Å; F1037-I1040 HydrophobicContact CE2-CG1 3.84Å; F1037-I1040 HydrophobicContact CZ-CD1 4.26Å; F1037-I1040 HydrophobicContact CZ-CG1 3.86Å; F1037-F1047 HydrophobicContact CB-CD1 4.31Å; F1037-F1047 HydrophobicContact CB-CE1 4.42Å; F1037-F1047 HydrophobicContact CD2-CD1 4.24Å; F1037-F1047 AromaticContact CD2-CE1 3.82Å; F1037-F1047 HydrophobicContact CD2-CE1 3.82Å; F1037-F1047 HydrophobicContact CD2-CZ 4.42Å; F1037-F1074 HydrophobicContact CD2-CZ 4.41Å; F1037-F1074 HydrophobicContact CE2-CZ 4.06Å; F1037-P1078 HydrophobicContact CE1-CB 4.26Å; F1037-P1078 HydrophobicContact CZ-CB 3.89Å; F1037-P1079 HydrophobicContact CB-CB 4.2Å; F1037-P1079 HydrophobicContact CD1-CB 4.11Å; F1037-P1079 WeakPolarHBondContact CD1-O 3.32Å; F1037-P1079 WeakPolarHBondContact CE1-O 3.07Å; F1037-P1079 HydrophobicContact CG-CB 4.13Å; F1037-P1079 HydrophobicContact CG-CG 4.35Å; F1037-G1082 PolarHBondContact O-N 2.9Å; F1037-A1083 PolarHBondContact N-O 3.25Å; F1037-I1085 HydrophobicContact CB-CD1 4.4Å |
| 1038 | V | 87.7 | Confident | 84.9 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -52.9 | -177.1 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | F1046 A1048 | V1038-F1046 HydrophobicContact CB-CB 4.26Å; V1038-F1046 WeakPolarHBondContact CB-O 3.48Å; V1038-F1046 PolarHBondContact N-O 2.94Å; V1038-A1048 HydrophobicContact CG2-CB 3.75Å |
| 1039 | S | 88.4 | Confident | 85.6 | Confident | 51 Ų | 51 | 41 Ų | 41 | 36% | 0.357 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.9 | 167.9 | 176.2 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | F1046 | S1039-F1046 PolarHBondContact N-O 3.5Å; S1039-F1046 PolarHBondContact O-N 2.92Å |
| 1040 | I | 85 | Confident | 85.8 | Confident | 49 Ų | 49 | 40.6 Ų | 40.6 | 25% | 0.251 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.8 | 161.5 | -65.3 | 167 | 0 | 0 | 0 | 108.3 | F1037 T1044 A1045 F1074 P1078 | F1037-I1040 HydrophobicContact CE2-CD1 4.34Å; F1037-I1040 HydrophobicContact CE2-CG1 3.84Å; F1037-I1040 HydrophobicContact CZ-CD1 4.26Å; F1037-I1040 HydrophobicContact CZ-CG1 3.86Å; I1040-T1044 WeakPolarHBondContact CA-O 3.43Å; I1040-A1045 HydrophobicContact CG1-CB 4.05Å; I1040-F1074 HydrophobicContact CD1-CD1 4Å; I1040-F1074 HydrophobicContact CD1-CE1 3.55Å; I1040-F1074 HydrophobicContact CD1-CZ 4.3Å; I1040-F1074 HydrophobicContact CG1-CE1 4.16Å; I1040-P1078 HydrophobicContact CD1-CB 3.93Å |
| 1041 | S | 78 | Confident | 85.7 | Confident | 55 Ų | 55 | 39.4 Ų | 39.4 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 118.6 | 166 | -171.4 | 0 | 0 | 0 | 0 | 110 | Q1043 T1044 | S1041-Q1043 PolarHBondContact O-N 3.47Å; S1041-T1044 PolarHBondContact N-O 3.15Å; S1041-T1044 PolarHBondContact O-N 3Å |
| 1042 | S | 73.3 | Confident | 85.4 | Confident | 64 Ų | 64 | 37.6 Ų | 37.6 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -90.1 | -171.5 | -179.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1043 | Q | 79.8 | Confident | 85 | Confident | 35 Ų | 35 | 46.8 Ų | 46.8 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | 26.5 | -175.5 | -64.6 | -171.8 | -3 | 0 | 0 | 112.2 | S1041 L1061 H1200 F1202 | S1041-Q1043 PolarHBondContact O-N 3.47Å; Q1043-L1061 HydrophobicContact CB-CD1 4.24Å; Q1043-L1061 HydrophobicContact CG-CD1 4.41Å; Q1043-L1061 PolarHBondContact O-N 2.98Å; Q1043-H1200 PolarHBondContact NE2-O 3.28Å; Q1043-H1200 PolarHBondContact OE1-O 3.46Å; Q1043-F1202 HydrophobicContact CB-CZ 4.04Å; Q1043-F1202 HydrophobicContact CG-CE2 4.12Å; Q1043-F1202 HydrophobicContact CG-CZ 3.84Å |
| 1044 | T | 85 | Confident | 84.7 | Confident | 22 Ų | 22 | 44 Ų | 44 | 14% | 0.135 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.6 | 176.6 | -53.3 | 0 | 0 | 0 | 0 | 109.1 | I1040 S1041 F1046 Y1058 C1059 H1060 | I1040-T1044 WeakPolarHBondContact CA-O 3.43Å; S1041-T1044 PolarHBondContact N-O 3.15Å; S1041-T1044 PolarHBondContact O-N 3Å; T1044-F1046 HydrophobicContact CG2-CE1 4.44Å; T1044-F1046 HydrophobicContact CG2-CE2 4.21Å; T1044-F1046 HydrophobicContact CG2-CZ 4.04Å; T1044-Y1058 HydrophobicContact CG2-CD2 3.58Å; T1044-Y1058 HydrophobicContact CG2-CG 4.03Å; T1044-C1059 CarbonylContact C-O 3.57Å; T1044-C1059 WeakPolarHBondContact CA-O 3.37Å; T1044-H1060 PolarHBondContact OG1-CE1 3.18Å; T1044-H1060 VanDerWaalsContact OG1-CE1 3.31Å; T1044-H1060 PolarHBondContact OG1-ND1 2.58Å |
| 1045 | A | 88.5 | Confident | 84.4 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I1040 F1047 Y1058 C1059 F1074 | I1040-A1045 HydrophobicContact CG1-CB 4.05Å; A1045-F1047 HydrophobicContact CB-CE2 3.62Å; A1045-F1047 HydrophobicContact CB-CZ 3.76Å; A1045-Y1058 CarbonylContact O-C 3.48Å; A1045-Y1058 WeakPolarHBondContact O-CA 3.38Å; A1045-C1059 PolarHBondContact N-O 2.83Å; A1045-C1059 PolarHBondContact O-N 2.85Å; A1045-F1074 HydrophobicContact CB-CE1 3.99Å; A1045-F1074 HydrophobicContact CB-CZ 4.25Å |
| 1046 | F | 90.4 | Very high | 84.2 | Confident | 48 Ų | 48 | 45.9 Ų | 45.9 | 21% | 0.211 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136.5 | 177.3 | -65.2 | -85.2 | 0 | 0 | 0 | 110.2 | V1038 S1039 T1044 I1113 | V1038-F1046 HydrophobicContact CB-CB 4.26Å; V1038-F1046 WeakPolarHBondContact CB-O 3.48Å; V1038-F1046 PolarHBondContact N-O 2.94Å; S1039-F1046 PolarHBondContact N-O 3.5Å; S1039-F1046 PolarHBondContact O-N 2.92Å; T1044-F1046 HydrophobicContact CG2-CE1 4.44Å; T1044-F1046 HydrophobicContact CG2-CE2 4.21Å; T1044-F1046 HydrophobicContact CG2-CZ 4.04Å; F1046-I1113 HydrophobicContact CE1-CD1 4.47Å |
| 1047 | F | 91.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 153 | 177.6 | -51.7 | -93.3 | 0 | 0 | 0 | 109.5 | L1035 Y1036 F1037 A1045 H1056 V1057 C1059 F1074 I1085 I1116 F1118 | L1035-F1047 HydrophobicContact CB-CB 4.35Å; L1035-F1047 HydrophobicContact CD2-CB 3.82Å; Y1036-F1047 CarbonylContact O-C 3.57Å; Y1036-F1047 WeakPolarHBondContact O-CA 3.5Å; F1037-F1047 HydrophobicContact CB-CD1 4.31Å; F1037-F1047 HydrophobicContact CB-CE1 4.42Å; F1037-F1047 HydrophobicContact CD2-CD1 4.24Å; F1037-F1047 AromaticContact CD2-CE1 3.82Å; F1037-F1047 HydrophobicContact CD2-CE1 3.82Å; F1037-F1047 HydrophobicContact CD2-CZ 4.42Å; A1045-F1047 HydrophobicContact CB-CE2 3.62Å; A1045-F1047 HydrophobicContact CB-CZ 3.76Å; F1047-H1056 CarbonylContact O-C 3.46Å; F1047-H1056 VanDerWaalsContact O-CA 3.25Å; F1047-H1056 WeakPolarHBondContact O-CA 3.23Å; F1047-V1057 HydrophobicContact CB-CG2 4.06Å; F1047-V1057 PolarHBondContact N-O 3.01Å; F1047-V1057 PolarHBondContact O-N 3.35Å; F1047-C1059 HydrophobicContact CE2-CB 3.87Å; F1047-F1074 HydrophobicContact CZ-CZ 4.35Å; F1047-I1085 HydrophobicContact CD1-CG1 3.97Å; F1047-I1085 HydrophobicContact CE1-CD1 4.32Å; F1047-I1085 HydrophobicContact CE1-CG1 3.81Å; F1047-I1116 HydrophobicContact CD2-CD1 3.97Å; F1047-I1116 HydrophobicContact CE2-CD1 4.34Å; F1047-F1118 HydrophobicContact CE1-CZ 4.5Å; F1047-F1118 HydrophobicContact CE2-CE2 4Å; F1047-F1118 HydrophobicContact CE2-CZ 4.24Å; F1047-F1118 HydrophobicContact CZ-CE2 4.04Å; F1047-F1118 HydrophobicContact CZ-CZ 4.1Å |
| 1048 | A | 87.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y1036 V1038 S1051 P1055 | Y1036-A1048 PolarHBondContact N-O 3.42Å; Y1036-A1048 PolarHBondContact O-N 2.79Å; V1038-A1048 HydrophobicContact CG2-CB 3.75Å; A1048-S1051 WeakPolarHBondContact CB-O 3.33Å; A1048-P1055 WeakPolarHBondContact CA-O 3.44Å |
| 1049 | V | 86.7 | Confident | 84.1 | Confident | 23 Ų | 23 | 42.5 Ų | 42.5 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 131.4 | -173.2 | -171.5 | 0 | 0 | 0 | 0 | 110.8 | F1026 I1032 L1035 S1051 P1055 V1057 | F1026-V1049 HydrophobicContact CE1-CG2 4.49Å; F1026-V1049 HydrophobicContact CE2-CG2 4.42Å; F1026-V1049 HydrophobicContact CZ-CB 4.23Å; F1026-V1049 HydrophobicContact CZ-CG1 4.39Å; F1026-V1049 HydrophobicContact CZ-CG2 3.75Å; I1032-V1049 HydrophobicContact CG2-CB 4.39Å; I1032-V1049 HydrophobicContact CG2-CG1 3.64Å; I1032-V1049 HydrophobicContact CG2-CG2 3.81Å; L1035-V1049 HydrophobicContact CD2-CG2 3.96Å; V1049-S1051 PolarHBondContact O-N 3Å; V1049-P1055 HydrophobicContact CB-CG 4.15Å; V1049-P1055 PolarHBondContact N-O 2.8Å; V1049-V1057 HydrophobicContact CG2-CG1 4.02Å; V1049-V1057 HydrophobicContact CG2-CG2 4.1Å |
| 1050 | G | 82.1 | Confident | 83.9 | Confident | 45 Ų | 45 | 42.7 Ų | 42.7 | 46% | 0.464 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 73.3 | -28 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1034 Y1036 | D1034-G1050 PolarHBondContact O-N 3.04Å; Y1036-G1050 WeakPolarHBondContact CE2-O 3.25Å |
| 1051 | S | 80.9 | Confident | 84 | Confident | 54 Ų | 54 | 40.5 Ų | 40.5 | 38% | 0.378 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -162 | 166.8 | 165.7 | 72.9 | 0 | 0 | 0 | 0 | 111.4 | A1048 V1049 K1053 G1054 | A1048-S1051 WeakPolarHBondContact CB-O 3.33Å; V1049-S1051 PolarHBondContact O-N 3Å; S1051-K1053 PolarHBondContact O-N 3.05Å; S1051-K1053 PolarHBondContact OG-N 2.87Å; S1051-G1054 PolarHBondContact O-N 3.23Å; S1051-G1054 PolarHBondContact OG-N 3.12Å |
| 1052 | I | 80.1 | Confident | 84.4 | Confident | 96 Ų | 96 | 38.1 Ų | 38.1 | 49% | 0.492 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.3 | 171.7 | -61.7 | 168.4 | 0 | 0 | 0 | 112.9 | Y1036 G1082 | Y1036-I1052 HydrophobicContact CD1-CG1 4.36Å; Y1036-I1052 HydrophobicContact CG-CG1 4.43Å; I1052-G1082 VanDerWaalsContact CD1-CA 3.48Å |
| 1053 | K | 76.7 | Confident | 85.1 | Confident | 200 Ų | 200 | 35.2 Ų | 35.2 | 87% | 0.87 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 5.6 | 176.7 | -64.3 | 179.8 | -179.6 | 174.5 | 0 | 113.4 | S1051 | S1051-K1053 PolarHBondContact O-N 3.05Å; S1051-K1053 PolarHBondContact OG-N 2.87Å |
| 1054 | G | 79.1 | Confident | 85.5 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 19% | 0.186 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -76.7 | 179.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1051 H1056 | S1051-G1054 PolarHBondContact O-N 3.23Å; S1051-G1054 PolarHBondContact OG-N 3.12Å; G1054-H1056 PolarHBondContact O-N 3.14Å; G1054-H1056 PolarHBondContact O-ND1 3.43Å |
| 1055 | P | 80.8 | Confident | 85.5 | Confident | 33 Ų | 33 | 36.7 Ų | 36.7 | 21% | 0.214 | 20% | 0.197 | C | C | . | . | trans | -59.6 | 139.4 | 171 | 31.3 | -37.2 | 0 | 0 | 0 | 109.1 | I1024 F1026 A1048 V1049 | I1024-P1055 HydrophobicContact CB-CB 4.47Å; I1024-P1055 HydrophobicContact CB-CG 4.04Å; I1024-P1055 HydrophobicContact CD1-CG 4.03Å; I1024-P1055 HydrophobicContact CG1-CG 4.22Å; F1026-P1055 HydrophobicContact CE2-CB 4.49Å; F1026-P1055 HydrophobicContact CE2-CG 4.45Å; F1026-P1055 HydrophobicContact CZ-CG 4.11Å; A1048-P1055 WeakPolarHBondContact CA-O 3.44Å; V1049-P1055 HydrophobicContact CB-CG 4.15Å; V1049-P1055 PolarHBondContact N-O 2.8Å | ||
| 1056 | H | 84.6 | Confident | 85.3 | Confident | 75 Ų | 75 | 39.8 Ų | 39.8 | 35% | 0.347 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 151.9 | 178.9 | -68.2 | 30.3 | 0 | 0 | 0 | 110.5 | F1047 G1054 I1113 | F1047-H1056 CarbonylContact O-C 3.46Å; F1047-H1056 VanDerWaalsContact O-CA 3.25Å; F1047-H1056 WeakPolarHBondContact O-CA 3.23Å; G1054-H1056 PolarHBondContact O-N 3.14Å; G1054-H1056 PolarHBondContact O-ND1 3.43Å; H1056-I1113 WeakPolarHBondContact O-CG2 3.47Å |
| 1057 | V | 89.2 | Confident | 85 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 158.9 | 169.6 | -64.9 | 0 | 0 | 0 | 0 | 109.1 | F1026 I1032 L1035 F1047 V1049 I1116 | F1026-V1057 HydrophobicContact CD2-CG1 4.04Å; F1026-V1057 HydrophobicContact CE2-CG1 3.62Å; F1026-V1057 HydrophobicContact CZ-CG1 4.28Å; I1032-V1057 HydrophobicContact CD1-CG1 4.11Å; L1035-V1057 HydrophobicContact CD2-CG2 3.58Å; F1047-V1057 HydrophobicContact CB-CG2 4.06Å; F1047-V1057 PolarHBondContact N-O 3.01Å; F1047-V1057 PolarHBondContact O-N 3.35Å; V1049-V1057 HydrophobicContact CG2-CG1 4.02Å; V1049-V1057 HydrophobicContact CG2-CG2 4.1Å; V1057-I1116 HydrophobicContact CB-CG1 4.46Å; V1057-I1116 HydrophobicContact CB-CG2 4.14Å; V1057-I1116 HydrophobicContact CG2-CD1 3.82Å; V1057-I1116 HydrophobicContact CG2-CG1 4.27Å; V1057-I1116 HydrophobicContact CG2-CG2 4.32Å |
| 1058 | Y | 89.7 | Confident | 84.5 | Confident | 21 Ų | 21 | 40.7 Ų | 40.7 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142.8 | -179.4 | 79.2 | -93.6 | 0 | 0 | 0 | 113.6 | T1044 A1045 H1060 I1113 S1114 E1115 I1116 R1149 | T1044-Y1058 HydrophobicContact CG2-CD2 3.58Å; T1044-Y1058 HydrophobicContact CG2-CG 4.03Å; A1045-Y1058 CarbonylContact O-C 3.48Å; A1045-Y1058 WeakPolarHBondContact O-CA 3.38Å; Y1058-H1060 AromaticContact CE2-CD2 3.98Å; Y1058-H1060 AromaticContact CE2-NE2 3.78Å; Y1058-I1113 HydrophobicContact CD1-CB 4.05Å; Y1058-I1113 HydrophobicContact CD1-CG2 3.73Å; Y1058-I1113 WeakPolarHBondContact CE1-O 3.43Å; Y1058-S1114 WeakPolarHBondContact CD1-O 3.28Å; Y1058-S1114 PolarHBondContact N-O 3.13Å; Y1058-E1115 HydrophobicContact CD2-CG 4.2Å; Y1058-E1115 HydrophobicContact CE1-CB 4.05Å; Y1058-E1115 HydrophobicContact CE2-CB 3.93Å; Y1058-E1115 HydrophobicContact CE2-CG 3.64Å; Y1058-E1115 CarbonylContact O-C 3.52Å; Y1058-E1115 WeakPolarHBondContact O-CA 3.33Å; Y1058-E1115 PolarHBondContact OH-OE2 3.34Å; Y1058-I1116 VanDerWaalsContact O-CG1 3.29Å; Y1058-I1116 WeakPolarHBondContact O-CG1 3.48Å; Y1058-I1116 PolarHBondContact O-N 3.41Å; Y1058-R1149 PolarHBondContact OH-NH2 3.45Å |
| 1059 | C | 88.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.5 | 172.7 | -170.1 | 0 | 0 | 0 | 0 | 109 | T1044 A1045 F1047 I1116 F1118 | T1044-C1059 CarbonylContact C-O 3.57Å; T1044-C1059 WeakPolarHBondContact CA-O 3.37Å; A1045-C1059 PolarHBondContact N-O 2.83Å; A1045-C1059 PolarHBondContact O-N 2.85Å; F1047-C1059 HydrophobicContact CE2-CB 3.87Å; C1059-I1116 HydrophobicContact CB-CD1 4.29Å; C1059-I1116 HydrophobicContact CB-CG1 3.95Å; C1059-F1118 HydrophobicContact CB-CD2 4.5Å; C1059-F1118 HydrophobicContact CB-CE2 4.1Å |
| 1060 | H | 84.7 | Confident | 84.1 | Confident | 55 Ų | 55 | 49 Ų | 49 | 26% | 0.255 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 141.1 | 160.9 | -77.5 | -51.2 | 0 | 0 | 0 | 109.5 | T1044 Y1058 I1062 N1063 E1115 | T1044-H1060 PolarHBondContact OG1-CE1 3.18Å; T1044-H1060 VanDerWaalsContact OG1-CE1 3.31Å; T1044-H1060 PolarHBondContact OG1-ND1 2.58Å; Y1058-H1060 AromaticContact CE2-CD2 3.98Å; Y1058-H1060 AromaticContact CE2-NE2 3.78Å; H1060-I1062 PolarHBondContact O-N 3.38Å; H1060-I1062 VanDerWaalsContact O-N 3.09Å; H1060-N1063 WeakPolarHBondContact O-CB 3.19Å; H1060-N1063 PolarHBondContact O-N 2.76Å; H1060-E1115 IonicContact CD2-OE1 3.61Å |
| 1061 | L | 86.4 | Confident | 84.2 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -60.3 | -23.8 | -176.6 | -72.1 | 179.8 | 0 | 0 | 0 | 113.6 | Q1043 N1063 W1064 I1071 F1074 F1202 | Q1043-L1061 HydrophobicContact CB-CD1 4.24Å; Q1043-L1061 HydrophobicContact CG-CD1 4.41Å; Q1043-L1061 PolarHBondContact O-N 2.98Å; L1061-N1063 PolarHBondContact O-N 3.26Å; L1061-W1064 WeakPolarHBondContact O-CB 3.42Å; L1061-W1064 PolarHBondContact O-N 3.2Å; L1061-W1064 VanDerWaalsContact O-N 3.17Å; L1061-I1071 HydrophobicContact CB-CG2 3.97Å; L1061-I1071 HydrophobicContact CD1-CG2 4.26Å; L1061-I1071 WeakPolarHBondContact O-CD1 3.42Å; L1061-I1071 WeakPolarHBondContact O-CG1 3.26Å; L1061-F1074 HydrophobicContact CD2-CD1 3.67Å; L1061-F1074 HydrophobicContact CD2-CE1 3.85Å; L1061-F1202 HydrophobicContact CB-CE2 4.35Å; L1061-F1202 HydrophobicContact CB-CZ 3.8Å; L1061-F1202 HydrophobicContact CD1-CE2 4.11Å; L1061-F1202 HydrophobicContact CD1-CZ 4.19Å |
| 1062 | I | 86.6 | Confident | 84.2 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -58.6 | -32.8 | 172.9 | -54.1 | 170.1 | 0 | 0 | 0 | 111.3 | H1060 W1064 Q1133 F1145 P1147 F1202 | H1060-I1062 PolarHBondContact O-N 3.38Å; H1060-I1062 VanDerWaalsContact O-N 3.09Å; I1062-W1064 VanDerWaalsContact C-N 3.34Å; I1062-Q1133 HydrophobicContact CD1-CB 3.48Å; I1062-Q1133 VanDerWaalsContact CD1-CB 3.48Å; I1062-Q1133 HydrophobicContact CD1-CG 4.34Å; I1062-Q1133 HydrophobicContact CG1-CB 4.03Å; I1062-F1145 HydrophobicContact CD1-CB 4.31Å; I1062-F1145 HydrophobicContact CD1-CD1 3.61Å; I1062-F1145 HydrophobicContact CD1-CE1 4.42Å; I1062-F1145 HydrophobicContact CD1-CG 4.4Å; I1062-P1147 HydrophobicContact CG2-CB 4.42Å; I1062-P1147 HydrophobicContact CG2-CG 3.95Å; I1062-F1202 HydrophobicContact CG1-CD1 4.38Å; I1062-F1202 HydrophobicContact CG1-CE1 3.75Å |
| 1063 | N | 88 | Confident | 84.5 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -91.8 | 11.9 | -177.9 | -54.6 | -28.1 | 0 | 0 | 0 | 112.7 | H1060 L1061 L1092 E1115 T1117 F1118 | H1060-N1063 WeakPolarHBondContact O-CB 3.19Å; H1060-N1063 PolarHBondContact O-N 2.76Å; L1061-N1063 PolarHBondContact O-N 3.26Å; N1063-L1092 HydrophobicContact CB-CD1 4.48Å; N1063-L1092 WeakPolarHBondContact ND2-CD1 3.43Å; N1063-E1115 PolarHBondContact ND2-OE1 2.86Å; N1063-T1117 PolarHBondContact O-OG1 3.16Å; N1063-F1118 PolarHBondContact O-N 2.77Å |
| 1064 | W | 87.4 | Confident | 84.9 | Confident | 35 Ų | 35 | 40.5 Ų | 40.5 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -44.9 | 179.7 | 173.5 | -103 | 0 | 0 | 0 | 113.1 | L1061 I1062 I1071 F1074 R1087 F1118 | L1061-W1064 WeakPolarHBondContact O-CB 3.42Å; L1061-W1064 PolarHBondContact O-N 3.2Å; L1061-W1064 VanDerWaalsContact O-N 3.17Å; I1062-W1064 VanDerWaalsContact C-N 3.34Å; W1064-I1071 HydrophobicContact CB-CG1 4.47Å; W1064-F1074 HydrophobicContact CD2-CD2 4.35Å; W1064-F1074 HydrophobicContact CD2-CG 4.36Å; W1064-F1074 AromaticContact CE2-CD2 3.75Å; W1064-F1074 AromaticContact CE2-CG 3.93Å; W1064-F1074 AromaticContact CH2-CD2 3.98Å; W1064-F1074 HydrophobicContact CH2-CD2 3.98Å; W1064-F1074 AromaticContact CH2-CE2 3.86Å; W1064-F1074 HydrophobicContact CH2-CE2 3.86Å; W1064-F1074 AromaticContact CZ2-CD2 3.55Å; W1064-F1074 HydrophobicContact CZ2-CD2 3.55Å; W1064-F1074 AromaticContact CZ2-CE2 3.94Å; W1064-F1074 HydrophobicContact CZ2-CE2 3.94Å; W1064-F1074 HydrophobicContact CZ2-CG 4.22Å; W1064-F1074 HydrophobicContact CZ3-CE2 4.17Å; W1064-F1074 AromaticContact NE1-CG 3.99Å; W1064-R1087 PolarHBondContact O-NH1 3Å; W1064-R1087 PolarHBondContact O-NH2 2.88Å; W1064-F1118 HydrophobicContact CE3-CB 4.47Å; W1064-F1118 AromaticContact CE3-CD2 3.51Å; W1064-F1118 HydrophobicContact CE3-CD2 3.51Å; W1064-F1118 AromaticContact CE3-CE2 3.77Å; W1064-F1118 HydrophobicContact CE3-CE2 3.77Å; W1064-F1118 HydrophobicContact CE3-CG 4.01Å; W1064-F1118 HydrophobicContact CE3-CZ 4.44Å; W1064-F1118 HydrophobicContact CZ3-CD1 4.34Å; W1064-F1118 AromaticContact CZ3-CD2 3.84Å; W1064-F1118 HydrophobicContact CZ3-CD2 3.84Å; W1064-F1118 HydrophobicContact CZ3-CE1 4.28Å; W1064-F1118 AromaticContact CZ3-CE2 3.79Å; W1064-F1118 HydrophobicContact CZ3-CE2 3.79Å; W1064-F1118 HydrophobicContact CZ3-CG 4.11Å; W1064-F1118 HydrophobicContact CZ3-CZ 4.01Å |
| 1065 | D | 86.1 | Confident | 85.1 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | trans | -164.1 | 156.7 | -178.8 | -166.7 | 3 | 0 | 0 | 0 | 110.8 | T1067 S1070 I1071 L1119 | D1065-T1067 PolarHBondContact O-N 2.95Å; D1065-S1070 WeakPolarHBondContact OD2-CB 3.45Å; D1065-S1070 PolarHBondContact OD2-OG 2.9Å; D1065-I1071 WeakPolarHBondContact O-CD1 3.3Å; D1065-L1119 VanDerWaalsContact CA-CD2 3.47Å | ||
| 1066 | N | 84.6 | Confident | 85.1 | Confident | 67 Ų | 67 | 44.4 Ų | 44.4 | 36% | 0.358 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -71.7 | -6.8 | -173.3 | -72.1 | -37.7 | 0 | 0 | 0 | 114.7 | V1130 C1131 | N1066-V1130 CarbonylContact O-C 3.47Å; N1066-C1131 PolarHBondContact O-N 3.02Å |
| 1067 | T | 82.8 | Confident | 85.1 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 34% | 0.337 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -124.6 | 144 | -176.3 | 89.2 | 0 | 0 | 0 | 0 | 113.8 | D1065 K1069 S1070 I1071 | D1065-T1067 PolarHBondContact O-N 2.95Å; T1067-K1069 PolarHBondContact O-N 3.48Å; T1067-K1069 PolarHBondContact OG1-N 3.29Å; T1067-S1070 PolarHBondContact O-N 2.96Å; T1067-S1070 PolarHBondContact O-OG 2.85Å; T1067-S1070 PolarHBondContact OG1-N 3.09Å; T1067-S1070 PolarHBondContact OG1-OG 3.1Å; T1067-I1071 PolarHBondContact O-N 3.04Å |
| 1068 | V | 82.3 | Confident | 84.9 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -28.2 | 173 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | R1072 F1202 I1203 T1204 | V1068-R1072 HydrophobicContact CG1-CG 4.26Å; V1068-R1072 VanDerWaalsContact CG1-CZ 3.49Å; V1068-R1072 WeakPolarHBondContact O-CB 3.16Å; V1068-R1072 VanDerWaalsContact O-CG 3.25Å; V1068-R1072 WeakPolarHBondContact O-CG 3.45Å; V1068-R1072 PolarHBondContact O-N 2.93Å; V1068-F1202 HydrophobicContact CG1-CB 4.14Å; V1068-F1202 HydrophobicContact CG2-CB 3.95Å; V1068-I1203 WeakPolarHBondContact CG2-O 3.45Å; V1068-T1204 WeakPolarHBondContact CG2-OG1 3.31Å |
| 1069 | K | 82.2 | Confident | 84.7 | Confident | 170 Ų | 170 | 51.8 Ų | 51.8 | 74% | 0.739 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -68.2 | -48.5 | -175.6 | -171 | -176.3 | 179.3 | -172.4 | 0 | 111.6 | T1067 R1072 T1073 | T1067-K1069 PolarHBondContact O-N 3.48Å; T1067-K1069 PolarHBondContact OG1-N 3.29Å; K1069-R1072 PolarHBondContact O-N 2.93Å; K1069-T1073 PolarHBondContact O-N 2.83Å; K1069-T1073 PolarHBondContact O-OG1 3.46Å |
| 1070 | S | 82.6 | Confident | 84.6 | Confident | 27 Ų | 27 | 59.7 Ų | 59.7 | 19% | 0.189 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.6 | -35.6 | 179.2 | 36.9 | 0 | 0 | 0 | 0 | 112.3 | D1065 T1067 R1072 T1073 F1074 | D1065-S1070 WeakPolarHBondContact OD2-CB 3.45Å; D1065-S1070 PolarHBondContact OD2-OG 2.9Å; T1067-S1070 PolarHBondContact O-N 2.96Å; T1067-S1070 PolarHBondContact O-OG 2.85Å; T1067-S1070 PolarHBondContact OG1-N 3.09Å; T1067-S1070 PolarHBondContact OG1-OG 3.1Å; S1070-R1072 PolarHBondContact O-N 3.31Å; S1070-T1073 WeakPolarHBondContact O-CB 3.35Å; S1070-T1073 PolarHBondContact O-N 3.28Å; S1070-T1073 VanDerWaalsContact O-N 3.12Å; S1070-F1074 PolarHBondContact O-N 3Å |
| 1071 | I | 84.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 169.7 | -71.2 | 165.4 | 0 | 0 | 0 | 111.4 | L1061 W1064 D1065 T1067 T1073 F1074 S1075 C1131 F1202 | L1061-I1071 HydrophobicContact CB-CG2 3.97Å; L1061-I1071 HydrophobicContact CD1-CG2 4.26Å; L1061-I1071 WeakPolarHBondContact O-CD1 3.42Å; L1061-I1071 WeakPolarHBondContact O-CG1 3.26Å; W1064-I1071 HydrophobicContact CB-CG1 4.47Å; D1065-I1071 WeakPolarHBondContact O-CD1 3.3Å; T1067-I1071 PolarHBondContact O-N 3.04Å; I1071-T1073 VanDerWaalsContact C-N 3.3Å; I1071-T1073 PolarHBondContact O-N 2.94Å; I1071-F1074 PolarHBondContact O-N 2.84Å; I1071-S1075 VanDerWaalsContact O-CB 3.29Å; I1071-S1075 WeakPolarHBondContact O-CB 3.29Å; I1071-S1075 PolarHBondContact O-N 3.46Å; I1071-C1131 HydrophobicContact CD1-CB 3.76Å; I1071-C1131 WeakPolarHBondContact CD1-SG 3.36Å; I1071-F1202 HydrophobicContact CG2-CD2 3.9Å; I1071-F1202 HydrophobicContact CG2-CE2 3.79Å; I1071-F1202 HydrophobicContact CG2-CZ 4.33Å |
| 1072 | R | 81.9 | Confident | 84.4 | Confident | 121 Ų | 121 | 63.1 Ų | 63.1 | 46% | 0.457 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.9 | -31.5 | 173.7 | -74 | 177.4 | -168.3 | -176 | 8.6 | 112.8 | V1068 K1069 S1070 S1076 Y1201 | V1068-R1072 HydrophobicContact CG1-CG 4.26Å; V1068-R1072 VanDerWaalsContact CG1-CZ 3.49Å; V1068-R1072 WeakPolarHBondContact O-CB 3.16Å; V1068-R1072 VanDerWaalsContact O-CG 3.25Å; V1068-R1072 WeakPolarHBondContact O-CG 3.45Å; V1068-R1072 PolarHBondContact O-N 2.93Å; K1069-R1072 PolarHBondContact O-N 2.93Å; S1070-R1072 PolarHBondContact O-N 3.31Å; R1072-S1076 WeakPolarHBondContact O-CB 3.36Å; R1072-S1076 PolarHBondContact O-N 3.11Å; R1072-S1076 VanDerWaalsContact O-N 3.09Å; R1072-S1076 PolarHBondContact O-OG 2.86Å; R1072-Y1201 PolarHBondContact NH2-OH 2.83Å |
| 1073 | T | 85.2 | Confident | 84.5 | Confident | 79 Ų | 79 | 64.3 Ų | 64.3 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.4 | -52.3 | 175.3 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | K1069 S1070 I1071 S1075 S1076 H1077 | K1069-T1073 PolarHBondContact O-N 2.83Å; K1069-T1073 PolarHBondContact O-OG1 3.46Å; S1070-T1073 WeakPolarHBondContact O-CB 3.35Å; S1070-T1073 PolarHBondContact O-N 3.28Å; S1070-T1073 VanDerWaalsContact O-N 3.12Å; I1071-T1073 VanDerWaalsContact C-N 3.3Å; I1071-T1073 PolarHBondContact O-N 2.94Å; T1073-S1075 VanDerWaalsContact C-N 3.33Å; T1073-S1075 PolarHBondContact O-N 3.41Å; T1073-S1076 PolarHBondContact O-N 2.82Å; T1073-S1076 VanDerWaalsContact O-N 3.17Å; T1073-S1076 PolarHBondContact O-OG 3.3Å; T1073-H1077 PolarHBondContact O-N 2.93Å |
| 1074 | F | 86.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 7% | 0.07 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61 | -38.8 | 176.3 | -179.2 | -96.6 | 0 | 0 | 0 | 112.9 | F1037 I1040 A1045 F1047 L1061 W1064 S1070 I1071 S1076 H1077 P1078 P1079 | F1037-F1074 HydrophobicContact CD2-CZ 4.41Å; F1037-F1074 HydrophobicContact CE2-CZ 4.06Å; I1040-F1074 HydrophobicContact CD1-CD1 4Å; I1040-F1074 HydrophobicContact CD1-CE1 3.55Å; I1040-F1074 HydrophobicContact CD1-CZ 4.3Å; I1040-F1074 HydrophobicContact CG1-CE1 4.16Å; A1045-F1074 HydrophobicContact CB-CE1 3.99Å; A1045-F1074 HydrophobicContact CB-CZ 4.25Å; F1047-F1074 HydrophobicContact CZ-CZ 4.35Å; L1061-F1074 HydrophobicContact CD2-CD1 3.67Å; L1061-F1074 HydrophobicContact CD2-CE1 3.85Å; W1064-F1074 HydrophobicContact CD2-CD2 4.35Å; W1064-F1074 HydrophobicContact CD2-CG 4.36Å; W1064-F1074 AromaticContact CE2-CD2 3.75Å; W1064-F1074 AromaticContact CE2-CG 3.93Å; W1064-F1074 AromaticContact CH2-CD2 3.98Å; W1064-F1074 HydrophobicContact CH2-CD2 3.98Å; W1064-F1074 AromaticContact CH2-CE2 3.86Å; W1064-F1074 HydrophobicContact CH2-CE2 3.86Å; W1064-F1074 AromaticContact CZ2-CD2 3.55Å; W1064-F1074 HydrophobicContact CZ2-CD2 3.55Å; W1064-F1074 AromaticContact CZ2-CE2 3.94Å; W1064-F1074 HydrophobicContact CZ2-CE2 3.94Å; W1064-F1074 HydrophobicContact CZ2-CG 4.22Å; W1064-F1074 HydrophobicContact CZ3-CE2 4.17Å; W1064-F1074 AromaticContact NE1-CG 3.99Å; S1070-F1074 PolarHBondContact O-N 3Å; I1071-F1074 PolarHBondContact O-N 2.84Å; F1074-S1076 VanDerWaalsContact C-N 3.31Å; F1074-S1076 PolarHBondContact O-N 3.5Å; F1074-H1077 CarbonylContact O-C 3.52Å; F1074-P1078 WeakPolarHBondContact O-CA 3.28Å; F1074-P1079 HydrophobicContact CE2-CG 4.12Å |
| 1075 | S | 82 | Confident | 84.6 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 43% | 0.427 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -75.5 | -13.3 | 178.2 | -174.2 | 0 | 0 | 0 | 0 | 114.6 | I1071 T1073 | I1071-S1075 VanDerWaalsContact O-CB 3.29Å; I1071-S1075 WeakPolarHBondContact O-CB 3.29Å; I1071-S1075 PolarHBondContact O-N 3.46Å; T1073-S1075 VanDerWaalsContact C-N 3.33Å; T1073-S1075 PolarHBondContact O-N 3.41Å |
| 1076 | S | 81.7 | Confident | 84.5 | Confident | 72 Ų | 72 | 74.9 Ų | 74.9 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -101.4 | -29 | 175.5 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | R1072 T1073 F1074 P1078 | R1072-S1076 WeakPolarHBondContact O-CB 3.36Å; R1072-S1076 PolarHBondContact O-N 3.11Å; R1072-S1076 VanDerWaalsContact O-N 3.09Å; R1072-S1076 PolarHBondContact O-OG 2.86Å; T1073-S1076 PolarHBondContact O-N 2.82Å; T1073-S1076 VanDerWaalsContact O-N 3.17Å; T1073-S1076 PolarHBondContact O-OG 3.3Å; F1074-S1076 VanDerWaalsContact C-N 3.31Å; F1074-S1076 PolarHBondContact O-N 3.5Å; S1076-P1078 VanDerWaalsContact C-CD 3.49Å |
| 1077 | H | 84.5 | Confident | 84.6 | Confident | 146 Ų | 146 | 76.4 Ų | 76.4 | 68% | 0.676 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -128.9 | 69.2 | 178.6 | -57.6 | 77.8 | 0 | 0 | 0 | 109.3 | T1073 F1074 | T1073-H1077 PolarHBondContact O-N 2.93Å; F1074-H1077 CarbonylContact O-C 3.52Å |
| 1078 | P | 84.7 | Confident | 84.8 | Confident | 65 Ų | 65 | 78.6 Ų | 78.6 | 42% | 0.422 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 151.9 | 176.2 | 29.4 | -35.2 | 0 | 0 | 0 | 111 | F1037 I1040 F1074 S1076 | F1037-P1078 HydrophobicContact CE1-CB 4.26Å; F1037-P1078 HydrophobicContact CZ-CB 3.89Å; I1040-P1078 HydrophobicContact CD1-CB 3.93Å; F1074-P1078 WeakPolarHBondContact O-CA 3.28Å; S1076-P1078 VanDerWaalsContact C-CD 3.49Å |
| 1079 | P | 86.4 | Confident | 85 | Confident | 39 Ų | 39 | 78 Ų | 78 | 25% | 0.253 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 159.5 | 171.6 | -22.1 | 33.8 | 0 | 0 | 0 | 112.6 | F1037 F1074 A1083 I1085 | F1037-P1079 HydrophobicContact CB-CB 4.2Å; F1037-P1079 HydrophobicContact CD1-CB 4.11Å; F1037-P1079 WeakPolarHBondContact CD1-O 3.32Å; F1037-P1079 WeakPolarHBondContact CE1-O 3.07Å; F1037-P1079 HydrophobicContact CG-CB 4.13Å; F1037-P1079 HydrophobicContact CG-CG 4.35Å; F1074-P1079 HydrophobicContact CE2-CG 4.12Å; P1079-A1083 HydrophobicContact CB-CB 3.76Å; P1079-I1085 HydrophobicContact CG-CD1 4.01Å |
| 1080 | E | 85 | Confident | 85.3 | Confident | 168 Ų | 168 | 71.7 Ų | 71.7 | 79% | 0.785 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -65 | 151 | 171.9 | -63.6 | -169.7 | 161.8 | 0 | 0 | 111.5 | G1082 A1083 | E1080-G1082 PolarHBondContact O-N 2.64Å; E1080-G1082 VanDerWaalsContact O-N 3.12Å; E1080-A1083 WeakPolarHBondContact O-CB 3.49Å; E1080-A1083 PolarHBondContact O-N 2.9Å |
| 1081 | V | 84.9 | Confident | 85.4 | Confident | 108 Ų | 108 | 70.6 Ų | 70.6 | 66% | 0.655 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 113.9 | 179.5 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1082 | G | 82.7 | Confident | 85.1 | Confident | 22 Ų | 22 | 71.8 Ų | 71.8 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | 0.8 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y1036 F1037 I1052 E1080 | Y1036-G1082 WeakPolarHBondContact CD1-O 3.36Å; F1037-G1082 PolarHBondContact O-N 2.9Å; I1052-G1082 VanDerWaalsContact CD1-CA 3.48Å; E1080-G1082 PolarHBondContact O-N 2.64Å; E1080-G1082 VanDerWaalsContact O-N 3.12Å |
| 1083 | A | 88 | Confident | 84.7 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 26% | 0.256 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 135.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y1036 F1037 P1079 E1080 | Y1036-A1083 WeakPolarHBondContact CA-O 3.42Å; F1037-A1083 PolarHBondContact N-O 3.25Å; P1079-A1083 HydrophobicContact CB-CB 3.76Å; E1080-A1083 WeakPolarHBondContact O-CB 3.49Å; E1080-A1083 PolarHBondContact O-N 2.9Å |
| 1084 | K | 89.5 | Confident | 83.8 | Confident | 107 Ų | 107 | 65.2 Ų | 65.2 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 135.2 | 175 | -176.9 | 175.2 | 179.5 | 169 | 0 | 110.2 | D1034 Y1036 | D1034-K1084 WeakPolarHBondContact OD1-CE 3.43Å; D1034-K1084 IonicContact OD1-NZ 2.99Å; D1034-K1084 PolarHBondContact OD1-NZ 3.46Å; D1034-K1084 IonicContact OD2-NZ 3.15Å; Y1036-K1084 HydrophobicContact CD1-CB 4.41Å; Y1036-K1084 HydrophobicContact CE1-CB 4.14Å |
| 1085 | I | 88.5 | Confident | 82.6 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 10% | 0.097 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.2 | 175.3 | -54.1 | -60.2 | 0 | 0 | 0 | 108.9 | L1035 F1037 F1047 P1079 R1087 F1118 | L1035-I1085 HydrophobicContact CB-CB 4.21Å; L1035-I1085 PolarHBondContact O-N 3.46Å; F1037-I1085 HydrophobicContact CB-CD1 4.4Å; F1047-I1085 HydrophobicContact CD1-CG1 3.97Å; F1047-I1085 HydrophobicContact CE1-CD1 4.32Å; F1047-I1085 HydrophobicContact CE1-CG1 3.81Å; P1079-I1085 HydrophobicContact CG-CD1 4.01Å; I1085-R1087 HydrophobicContact CG2-CB 4.14Å; I1085-F1118 HydrophobicContact CG2-CE1 4.16Å; I1085-F1118 HydrophobicContact CG2-CZ 4.5Å |
| 1086 | E | 85.2 | Confident | 81.4 | Confident | 187 Ų | 187 | 70 Ų | 70 | 87% | 0.874 | 36% | 0.361 | S | S | * | . | trans | -86.8 | -10.7 | -178.2 | -59.2 | -173.9 | 149.1 | 0 | 0 | 113.5 | ||||
| 1087 | R | 86.1 | Confident | 80.2 | Confident | 99 Ų | 99 | 70.3 Ų | 70.3 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -75 | 128.6 | 172.9 | -60.8 | -179.3 | 76.8 | -165.6 | 3.5 | 110.1 | W1064 I1085 F1118 | W1064-R1087 PolarHBondContact O-NH1 3Å; W1064-R1087 PolarHBondContact O-NH2 2.88Å; I1085-R1087 HydrophobicContact CG2-CB 4.14Å; R1087-F1118 HydrophobicContact CB-CD1 3.7Å; R1087-F1118 HydrophobicContact CB-CE1 3.94Å; R1087-F1118 PolarHBondContact NH2-O 3.35Å |
| 1088 | I | 86.7 | Confident | 78.3 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | trans | -65.7 | 139.9 | 166.5 | -59 | 170.4 | 0 | 0 | 0 | 108.4 | Q1031 | Q1031-I1088 HydrophobicContact CB-CG2 3.83Å; Q1031-I1088 HydrophobicContact CG-CG2 4.01Å | ||
| 1089 | A | 86.8 | Confident | 76.4 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 140.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q1031 I1032 L1035 I1116 T1117 F1118 | Q1031-A1089 WeakPolarHBondContact CA-O 3.05Å; I1032-A1089 PolarHBondContact N-O 2.88Å; I1032-A1089 PolarHBondContact O-N 3.41Å; L1035-A1089 HydrophobicContact CD1-CB 3.64Å; A1089-I1116 HydrophobicContact CB-CB 4.09Å; A1089-I1116 HydrophobicContact CB-CD1 3.77Å; A1089-I1116 HydrophobicContact CB-CG1 4.49Å; A1089-T1117 CarbonylContact C-O 3.57Å; A1089-T1117 WeakPolarHBondContact CA-O 2.98Å; A1089-F1118 HydrophobicContact CB-CD1 3.91Å; A1089-F1118 HydrophobicContact CB-CE1 3.65Å; A1089-F1118 HydrophobicContact CB-CE2 4.43Å; A1089-F1118 HydrophobicContact CB-CG 4.43Å; A1089-F1118 HydrophobicContact CB-CZ 3.94Å |
| 1090 | T | 87.1 | Confident | 74.3 | Confident | 38 Ų | 38 | 73.4 Ų | 73.4 | 23% | 0.233 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 141.7 | 169.9 | 36.1 | 0 | 0 | 0 | 0 | 111.2 | E1030 Q1031 L1092 I1116 T1117 | E1030-T1090 CarbonylContact O-C 3.51Å; E1030-T1090 WeakPolarHBondContact O-CA 3.49Å; Q1031-T1090 HydrophobicContact CG-CG2 3.64Å; T1090-L1092 PolarHBondContact O-N 2.87Å; T1090-I1116 CarbonylContact O-C 3.48Å; T1090-I1116 VanDerWaalsContact O-CA 3.3Å; T1090-I1116 WeakPolarHBondContact O-CA 3.42Å; T1090-T1117 PolarHBondContact N-O 2.71Å; T1090-T1117 PolarHBondContact O-N 3.29Å; T1090-T1117 WeakPolarHBondContact OG1-CG2 3.33Å |
| 1091 | V | 85.4 | Confident | 72.2 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.024 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 121.1 | 175.5 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | F1026 Q1027 G1029 E1030 I1032 E1115 I1116 | F1026-V1091 HydrophobicContact CB-CG1 4.48Å; F1026-V1091 HydrophobicContact CB-CG2 3.99Å; Q1027-V1091 VanDerWaalsContact O-CB 3.28Å; Q1027-V1091 WeakPolarHBondContact O-CB 3.28Å; Q1027-V1091 WeakPolarHBondContact O-CG1 3.38Å; G1029-V1091 PolarHBondContact N-O 2.96Å; E1030-V1091 HydrophobicContact CB-CG2 4.28Å; E1030-V1091 PolarHBondContact O-N 3.29Å; I1032-V1091 HydrophobicContact CD1-CG2 3.5Å; I1032-V1091 HydrophobicContact CG1-CG2 3.95Å; V1091-E1115 CarbonylContact C-O 3.59Å; V1091-E1115 WeakPolarHBondContact CA-O 3.35Å; V1091-I1116 HydrophobicContact CG2-CG2 4.05Å |
| 1092 | L | 78.7 | Confident | 69.7 | Low | 26 Ų | 26 | 71.2 Ų | 71.2 | 14% | 0.136 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -45.7 | 175 | -83.5 | 171.7 | 0 | 0 | 0 | 112.1 | N1063 T1090 E1115 T1117 P1122 | N1063-L1092 HydrophobicContact CB-CD1 4.48Å; N1063-L1092 WeakPolarHBondContact ND2-CD1 3.43Å; T1090-L1092 PolarHBondContact O-N 2.87Å; L1092-E1115 HydrophobicContact CB-CB 4.34Å; L1092-E1115 HydrophobicContact CB-CG 4.3Å; L1092-E1115 HydrophobicContact CD1-CG 4.12Å; L1092-E1115 PolarHBondContact N-O 3.45Å; L1092-T1117 HydrophobicContact CD1-CG2 4.33Å; L1092-T1117 HydrophobicContact CD2-CG2 4.11Å; L1092-T1117 HydrophobicContact CG-CG2 3.84Å; L1092-P1122 HydrophobicContact CD2-CB 3.55Å; L1092-P1122 HydrophobicContact CD2-CG 4.38Å |
| 1093 | F | 72.7 | Confident | 67.4 | Low | 55 Ų | 55 | 78 Ų | 78 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 130.2 | -175.3 | -62.7 | -79.6 | 0 | 0 | 0 | 110.7 | E1115 R1149 | F1093-E1115 HydrophobicContact CB-CB 4.46Å; F1093-E1115 HydrophobicContact CD2-CB 4.39Å; F1093-E1115 PolarHBondContact N-O 3.05Å; F1093-E1115 PolarHBondContact O-N 3.45Å; F1093-R1149 HydrophobicContact CE2-CG 3.74Å; F1093-R1149 VanDerWaalsContact CE2-NE 3.28Å; F1093-R1149 HydrophobicContact CZ-CG 4.23Å |
| 1094 | S | 67.5 | Low | 64.7 | Low | 6 Ų | 6 | 82.7 Ų | 82.7 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | trans | -79.2 | 154.8 | 168.5 | -167.1 | 0 | 0 | 0 | 0 | 110.6 | F1026 L1096 D1097 | F1026-S1094 VanDerWaalsContact O-CB 3.26Å; F1026-S1094 WeakPolarHBondContact O-CB 3.42Å; F1026-S1094 PolarHBondContact O-OG 3.45Å; S1094-L1096 PolarHBondContact O-N 2.89Å; S1094-L1096 VanDerWaalsContact O-N 3.16Å; S1094-D1097 WeakPolarHBondContact CB-OD2 3.17Å; S1094-D1097 PolarHBondContact N-OD2 3.46Å; S1094-D1097 PolarHBondContact O-N 2.89Å | ||
| 1095 | Y | 61.7 | Low | 61.8 | Low | 94 Ų | 94 | 86.5 Ų | 86.5 | 37% | 0.369 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.1 | 172 | 80.4 | -99.8 | 0 | 0 | 0 | 112.8 | T1025 | T1025-Y1095 HydrophobicContact CG2-CE1 3.54Å; T1025-Y1095 VanDerWaalsContact CG2-OH 3.28Å; T1025-Y1095 WeakPolarHBondContact CG2-OH 3.34Å |
| 1096 | L | 55.8 | Low | 59 | Low | 85 Ų | 85 | 88.8 Ų | 88.8 | 45% | 0.445 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -45.3 | 179 | -68.8 | 170.6 | 0 | 0 | 0 | 112.2 | T1025 S1094 D1098 K1099 | T1025-L1096 HydrophobicContact CG2-CD1 4.07Å; S1094-L1096 PolarHBondContact O-N 2.89Å; S1094-L1096 VanDerWaalsContact O-N 3.16Å; L1096-D1098 VanDerWaalsContact C-N 3.27Å; L1096-D1098 PolarHBondContact O-N 3.45Å; L1096-K1099 WeakPolarHBondContact O-CB 3.45Å; L1096-K1099 PolarHBondContact O-N 3.23Å |
| 1097 | D | 55.5 | Low | 56.4 | Low | 78 Ų | 78 | 87.4 Ų | 87.4 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -63.2 | -35.2 | -176.2 | -51.7 | -49.3 | 0 | 0 | 0 | 111.9 | S1094 K1099 V1100 | S1094-D1097 WeakPolarHBondContact CB-OD2 3.17Å; S1094-D1097 PolarHBondContact N-OD2 3.46Å; S1094-D1097 PolarHBondContact O-N 2.89Å; D1097-K1099 PolarHBondContact O-N 3.46Å; D1097-V1100 PolarHBondContact O-N 2.97Å |
| 1098 | D | 46.2 | Very low | 53.9 | Low | 30 Ų | 30 | 85.2 Ų | 85.2 | 16% | 0.16 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -63.5 | -8.5 | -179.5 | -108.6 | 11.6 | 0 | 0 | 0 | 113.6 | L1096 R1110 R1149 | L1096-D1098 VanDerWaalsContact C-N 3.27Å; L1096-D1098 PolarHBondContact O-N 3.45Å; D1098-R1110 PolarHBondContact O-NH1 3.36Å; D1098-R1110 IonicContact OD1-CZ 2.84Å; D1098-R1110 IonicContact OD1-NE 2.82Å; D1098-R1110 IonicContact OD1-NH1 3.75Å; D1098-R1110 PolarHBondContact OD1-NH1 2.86Å; D1098-R1110 IonicContact OD1-NH2 3.68Å; D1098-R1110 PolarHBondContact OD1-NH2 3.48Å; D1098-R1110 WeakPolarHBondContact OD2-CD 3.38Å; D1098-R1110 IonicContact OD2-CZ 3.37Å; D1098-R1110 IonicContact OD2-NE 3.76Å; D1098-R1110 PolarHBondContact OD2-NE 3.32Å; D1098-R1110 IonicContact OD2-NH1 2.68Å; D1098-R1110 PolarHBondContact OD2-NH1 2.95Å; D1098-R1110 IonicContact OD2-NH2 3.92Å; D1098-R1110 PolarHBondContact OD2-NH2 3.23Å; D1098-R1149 IonicContact OD1-NH1 2.92Å |
| 1099 | K | 43.2 | Very low | 51.3 | Low | 155 Ų | 155 | 89.5 Ų | 89.5 | 67% | 0.674 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -73.3 | -26 | 170.4 | -77.6 | -169.4 | 171.9 | -172.8 | 0 | 114.5 | L1096 D1097 L1102 | L1096-K1099 WeakPolarHBondContact O-CB 3.45Å; L1096-K1099 PolarHBondContact O-N 3.23Å; D1097-K1099 PolarHBondContact O-N 3.46Å; K1099-L1102 WeakPolarHBondContact O-CD1 3.17Å; K1099-L1102 WeakPolarHBondContact O-CG 3.41Å |
| 1100 | V | 43 | Very low | 48.9 | Very low | 129 Ų | 129 | 95.9 Ų | 95.9 | 78% | 0.782 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -27.2 | -172.8 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | D1097 L1102 | D1097-V1100 PolarHBondContact O-N 2.97Å; V1100-L1102 PolarHBondContact O-N 2.94Å |
| 1101 | I | 41 | Very low | 46.9 | Very low | 79 Ų | 79 | 96.5 Ų | 96.5 | 41% | 0.405 | 47% | 0.471 | S | S | . | . | trans | -86 | 41.4 | -172.5 | -38 | -179.5 | 0 | 0 | 0 | 111.8 | K1103 | I1101-K1103 VanDerWaalsContact C-N 3.3Å; I1101-K1103 PolarHBondContact O-N 3.04Å; I1101-K1103 VanDerWaalsContact O-N 3.17Å | ||
| 1102 | L | 31.5 | Very low | 45.7 | Very low | 151 Ų | 151 | 105.4 Ų | 105.4 | 79% | 0.791 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -0.1 | -161.6 | -112.9 | 172.4 | 0 | 0 | 0 | 116.4 | K1099 V1100 | K1099-L1102 WeakPolarHBondContact O-CD1 3.17Å; K1099-L1102 WeakPolarHBondContact O-CG 3.41Å; V1100-L1102 PolarHBondContact O-N 2.94Å |
| 1103 | K | 34.7 | Very low | 45.5 | Very low | 166 Ų | 166 | 106.3 Ų | 106.3 | 72% | 0.722 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -23.8 | 179.7 | -76.7 | -170.8 | -177.1 | 179.7 | 0 | 115.5 | I1101 K1105 D1226 | I1101-K1103 VanDerWaalsContact C-N 3.3Å; I1101-K1103 PolarHBondContact O-N 3.04Å; I1101-K1103 VanDerWaalsContact O-N 3.17Å; K1103-K1105 PolarHBondContact O-N 2.83Å; K1103-D1226 IonicContact NZ-OD2 2.76Å; K1103-D1226 PolarHBondContact NZ-OD2 2.91Å |
| 1104 | R | 32.4 | Very low | 46 | Very low | 129 Ų | 129 | 104 Ų | 104 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | trans | -79.6 | 80.4 | -174.1 | -70.4 | -174.4 | -179.7 | 178.3 | -2.8 | 111.8 | D1226 T1227 E1229 | R1104-D1226 PolarHBondContact NH2-O 3.17Å; R1104-T1227 PolarHBondContact NH2-O 3.43Å; R1104-E1229 IonicContact CZ-OE1 3.65Å; R1104-E1229 IonicContact NH1-OE1 3Å; R1104-E1229 PolarHBondContact NH1-OE1 2.9Å; R1104-E1229 IonicContact NH2-OE1 3.24Å | ||
| 1105 | K | 29.1 | Very low | 46.8 | Very low | 186 Ų | 186 | 103.8 Ų | 103.8 | 81% | 0.809 | 50% | 0.502 | S | S | * | . | trans | -54.3 | 141.2 | 162.3 | -69.3 | 175.5 | 178.3 | 173 | 0 | 108.5 | K1103 | K1103-K1105 PolarHBondContact O-N 2.83Š| ||
| 1106 | N | 29.2 | Very low | 48.1 | Very low | 68 Ų | 68 | 99.3 Ų | 99.3 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | trans | 96.7 | 38.9 | 165.2 | -48.4 | -41.9 | 0 | 0 | 0 | 121.1 | S1183 S1184 | N1106-S1183 VanDerWaalsContact CG-CA 3.41Å; N1106-S1183 PolarHBondContact ND2-OG 3.28Å; N1106-S1183 VanDerWaalsContact ND2-OG 3.13Å; N1106-S1183 WeakPolarHBondContact OD1-CA 3.04Å; N1106-S1183 WeakPolarHBondContact OD1-CB 2.99Å; N1106-S1183 PolarHBondContact OD1-OG 2.8Å; N1106-S1184 VanDerWaalsContact O-CB 3.29Å; N1106-S1184 WeakPolarHBondContact O-CB 3.46Å; N1106-S1184 PolarHBondContact O-OG 3.01Å | ||
| 1107 | M | 30.4 | Very low | 49.7 | Very low | 158 Ų | 158 | 95.3 Ų | 95.3 | 78% | 0.778 | 46% | 0.464 | S | S | * | . | trans | -130.9 | 143 | 143.3 | -73.3 | -157.1 | 76.7 | 0 | 0 | 111.5 | ||||
| 1108 | G | 32.3 | Very low | 51.2 | Low | 52 Ų | 52 | 92 Ų | 92 | 54% | 0.536 | 45% | 0.446 | S | S | . | . | trans | -92.1 | 163.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1109 | F | 33.9 | Very low | 53.1 | Low | 190 Ų | 190 | 91 Ų | 91 | 83% | 0.833 | 44% | 0.44 | S | S | * | . | trans | 65.3 | 48.1 | 177.1 | -75.8 | -77.1 | 0 | 0 | 0 | 117.3 | S1111 | F1109-S1111 PolarHBondContact O-N 2.8Š| ||
| 1110 | R | 35.8 | Very low | 54.8 | Low | 134 Ų | 134 | 91.4 Ų | 91.4 | 51% | 0.506 | 45% | 0.45 | S | S | . | . | trans | -73.4 | 105.6 | 151.3 | -74.5 | -175 | 173.5 | -144.7 | -20.1 | 109.5 | D1098 | D1098-R1110 PolarHBondContact O-NH1 3.36Å; D1098-R1110 IonicContact OD1-CZ 2.84Å; D1098-R1110 IonicContact OD1-NE 2.82Å; D1098-R1110 IonicContact OD1-NH1 3.75Å; D1098-R1110 PolarHBondContact OD1-NH1 2.86Å; D1098-R1110 IonicContact OD1-NH2 3.68Å; D1098-R1110 PolarHBondContact OD1-NH2 3.48Å; D1098-R1110 WeakPolarHBondContact OD2-CD 3.38Å; D1098-R1110 IonicContact OD2-CZ 3.37Å; D1098-R1110 IonicContact OD2-NE 3.76Å; D1098-R1110 PolarHBondContact OD2-NE 3.32Å; D1098-R1110 IonicContact OD2-NH1 2.68Å; D1098-R1110 PolarHBondContact OD2-NH1 2.95Å; D1098-R1110 IonicContact OD2-NH2 3.92Å; D1098-R1110 PolarHBondContact OD2-NH2 3.23Å | ||
| 1111 | S | 45.8 | Very low | 56.4 | Low | 52 Ų | 52 | 91.6 Ų | 91.6 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | trans | -103.1 | 166.5 | 178.2 | 68.9 | 0 | 0 | 0 | 0 | 111.2 | F1109 I1113 | F1109-S1111 PolarHBondContact O-N 2.8Å; S1111-I1113 PolarHBondContact O-N 3.29Å; S1111-I1113 WeakPolarHBondContact OG-CB 3.26Å | ||
| 1112 | K | 59.8 | Low | 57.7 | Low | 191 Ų | 191 | 90 Ų | 90 | 83% | 0.83 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -79.2 | 44.6 | 179.7 | -62.3 | -179.5 | 178.3 | 179.4 | 0 | 112.2 | ||
| 1113 | I | 74.9 | Confident | 59.9 | Low | 44 Ų | 44 | 91.5 Ų | 91.5 | 23% | 0.226 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -140.9 | 134.2 | -165 | -53.9 | -177.4 | 0 | 0 | 0 | 107.2 | F1046 H1056 Y1058 S1111 | F1046-I1113 HydrophobicContact CE1-CD1 4.47Å; H1056-I1113 WeakPolarHBondContact O-CG2 3.47Å; Y1058-I1113 HydrophobicContact CD1-CB 4.05Å; Y1058-I1113 HydrophobicContact CD1-CG2 3.73Å; Y1058-I1113 WeakPolarHBondContact CE1-O 3.43Å; S1111-I1113 PolarHBondContact O-N 3.29Å; S1111-I1113 WeakPolarHBondContact OG-CB 3.26Å |
| 1114 | S | 82.5 | Confident | 62 | Low | 6 Ų | 6 | 84.4 Ų | 84.4 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 147.6 | 178.9 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | Y1058 | Y1058-S1114 WeakPolarHBondContact CD1-O 3.28Å; Y1058-S1114 PolarHBondContact N-O 3.13Å |
| 1115 | E | 84.6 | Confident | 64.2 | Low | 2 Ų | 2 | 80.9 Ų | 80.9 | 1% | 0.009 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135.8 | 174.5 | -169.4 | 176.8 | 164.6 | 0 | 0 | 110.5 | Y1058 H1060 N1063 V1091 L1092 F1093 R1149 | Y1058-E1115 HydrophobicContact CD2-CG 4.2Å; Y1058-E1115 HydrophobicContact CE1-CB 4.05Å; Y1058-E1115 HydrophobicContact CE2-CB 3.93Å; Y1058-E1115 HydrophobicContact CE2-CG 3.64Å; Y1058-E1115 CarbonylContact O-C 3.52Å; Y1058-E1115 WeakPolarHBondContact O-CA 3.33Å; Y1058-E1115 PolarHBondContact OH-OE2 3.34Å; H1060-E1115 IonicContact CD2-OE1 3.61Å; N1063-E1115 PolarHBondContact ND2-OE1 2.86Å; V1091-E1115 CarbonylContact C-O 3.59Å; V1091-E1115 WeakPolarHBondContact CA-O 3.35Å; L1092-E1115 HydrophobicContact CB-CB 4.34Å; L1092-E1115 HydrophobicContact CB-CG 4.3Å; L1092-E1115 HydrophobicContact CD1-CG 4.12Å; L1092-E1115 PolarHBondContact N-O 3.45Å; F1093-E1115 HydrophobicContact CB-CB 4.46Å; F1093-E1115 HydrophobicContact CD2-CB 4.39Å; F1093-E1115 PolarHBondContact N-O 3.05Å; F1093-E1115 PolarHBondContact O-N 3.45Å; E1115-R1149 IonicContact OE2-CZ 2.64Å; E1115-R1149 IonicContact OE2-NE 3.16Å; E1115-R1149 PolarHBondContact OE2-NE 2.86Å; E1115-R1149 IonicContact OE2-NH2 2.8Å; E1115-R1149 PolarHBondContact OE2-NH2 2.94Å |
| 1116 | I | 89.1 | Confident | 66.5 | Low | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 161.3 | 177.5 | 56.3 | 158.1 | 0 | 0 | 0 | 112.5 | I1032 L1035 F1047 V1057 Y1058 C1059 A1089 T1090 V1091 F1118 | I1032-I1116 HydrophobicContact CD1-CG2 4.14Å; L1035-I1116 HydrophobicContact CD1-CD1 4.32Å; L1035-I1116 HydrophobicContact CD2-CD1 4.49Å; F1047-I1116 HydrophobicContact CD2-CD1 3.97Å; F1047-I1116 HydrophobicContact CE2-CD1 4.34Å; V1057-I1116 HydrophobicContact CB-CG1 4.46Å; V1057-I1116 HydrophobicContact CB-CG2 4.14Å; V1057-I1116 HydrophobicContact CG2-CD1 3.82Å; V1057-I1116 HydrophobicContact CG2-CG1 4.27Å; V1057-I1116 HydrophobicContact CG2-CG2 4.32Å; Y1058-I1116 VanDerWaalsContact O-CG1 3.29Å; Y1058-I1116 WeakPolarHBondContact O-CG1 3.48Å; Y1058-I1116 PolarHBondContact O-N 3.41Å; C1059-I1116 HydrophobicContact CB-CD1 4.29Å; C1059-I1116 HydrophobicContact CB-CG1 3.95Å; A1089-I1116 HydrophobicContact CB-CB 4.09Å; A1089-I1116 HydrophobicContact CB-CD1 3.77Å; A1089-I1116 HydrophobicContact CB-CG1 4.49Å; T1090-I1116 CarbonylContact O-C 3.48Å; T1090-I1116 VanDerWaalsContact O-CA 3.3Å; T1090-I1116 WeakPolarHBondContact O-CA 3.42Å; V1091-I1116 HydrophobicContact CG2-CG2 4.05Å; I1116-F1118 HydrophobicContact CD1-CE2 3.97Å; I1116-F1118 HydrophobicContact CD1-CZ 4.04Å |
| 1117 | T | 87.9 | Confident | 68.6 | Low | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 149.7 | 173.9 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | N1063 A1089 T1090 L1092 L1119 P1122 | N1063-T1117 PolarHBondContact O-OG1 3.16Å; A1089-T1117 CarbonylContact C-O 3.57Å; A1089-T1117 WeakPolarHBondContact CA-O 2.98Å; T1090-T1117 PolarHBondContact N-O 2.71Å; T1090-T1117 PolarHBondContact O-N 3.29Å; T1090-T1117 WeakPolarHBondContact OG1-CG2 3.33Å; L1092-T1117 HydrophobicContact CD1-CG2 4.33Å; L1092-T1117 HydrophobicContact CD2-CG2 4.11Å; L1092-T1117 HydrophobicContact CG-CG2 3.84Å; T1117-L1119 PolarHBondContact OG1-N 2.65Å; T1117-L1119 VanDerWaalsContact OG1-N 3.1Å; T1117-P1122 HydrophobicContact CG2-CB 4.32Å |
| 1118 | F | 88.5 | Confident | 70.9 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 4% | 0.044 | 35% | 0.352 | C | S | . | . | trans | -112 | 15 | 170.5 | -60.2 | -90.3 | 0 | 0 | 0 | 112 | L1035 F1047 C1059 N1063 W1064 I1085 R1087 A1089 I1116 | L1035-F1118 HydrophobicContact CD1-CE1 4.1Å; L1035-F1118 HydrophobicContact CD1-CZ 4.09Å; F1047-F1118 HydrophobicContact CE1-CZ 4.5Å; F1047-F1118 HydrophobicContact CE2-CE2 4Å; F1047-F1118 HydrophobicContact CE2-CZ 4.24Å; F1047-F1118 HydrophobicContact CZ-CE2 4.04Å; F1047-F1118 HydrophobicContact CZ-CZ 4.1Å; C1059-F1118 HydrophobicContact CB-CD2 4.5Å; C1059-F1118 HydrophobicContact CB-CE2 4.1Å; N1063-F1118 PolarHBondContact O-N 2.77Å; W1064-F1118 HydrophobicContact CE3-CB 4.47Å; W1064-F1118 AromaticContact CE3-CD2 3.51Å; W1064-F1118 HydrophobicContact CE3-CD2 3.51Å; W1064-F1118 AromaticContact CE3-CE2 3.77Å; W1064-F1118 HydrophobicContact CE3-CE2 3.77Å; W1064-F1118 HydrophobicContact CE3-CG 4.01Å; W1064-F1118 HydrophobicContact CE3-CZ 4.44Å; W1064-F1118 HydrophobicContact CZ3-CD1 4.34Å; W1064-F1118 AromaticContact CZ3-CD2 3.84Å; W1064-F1118 HydrophobicContact CZ3-CD2 3.84Å; W1064-F1118 HydrophobicContact CZ3-CE1 4.28Å; W1064-F1118 AromaticContact CZ3-CE2 3.79Å; W1064-F1118 HydrophobicContact CZ3-CE2 3.79Å; W1064-F1118 HydrophobicContact CZ3-CG 4.11Å; W1064-F1118 HydrophobicContact CZ3-CZ 4.01Å; I1085-F1118 HydrophobicContact CG2-CE1 4.16Å; I1085-F1118 HydrophobicContact CG2-CZ 4.5Å; R1087-F1118 HydrophobicContact CB-CD1 3.7Å; R1087-F1118 HydrophobicContact CB-CE1 3.94Å; R1087-F1118 PolarHBondContact NH2-O 3.35Å; A1089-F1118 HydrophobicContact CB-CD1 3.91Å; A1089-F1118 HydrophobicContact CB-CE1 3.65Å; A1089-F1118 HydrophobicContact CB-CE2 4.43Å; A1089-F1118 HydrophobicContact CB-CG 4.43Å; A1089-F1118 HydrophobicContact CB-CZ 3.94Å; I1116-F1118 HydrophobicContact CD1-CE2 3.97Å; I1116-F1118 HydrophobicContact CD1-CZ 4.04Å | ||
| 1119 | L | 85.1 | Confident | 73.3 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | trans | -92 | 132.7 | 173.7 | -56.2 | 179.2 | 0 | 0 | 0 | 111.1 | D1065 T1117 K1121 P1147 | D1065-L1119 VanDerWaalsContact CA-CD2 3.47Å; T1117-L1119 PolarHBondContact OG1-N 2.65Å; T1117-L1119 VanDerWaalsContact OG1-N 3.1Å; L1119-K1121 PolarHBondContact O-N 3.05Å; L1119-P1147 HydrophobicContact CD1-CB 3.7Å; L1119-P1147 HydrophobicContact CD1-CG 3.99Å | ||
| 1120 | D | 79.6 | Confident | 75.7 | Confident | 163 Ų | 163 | 60.4 Ų | 60.4 | 87% | 0.872 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -61.3 | -29.4 | 178.4 | -50.8 | -47.3 | 0 | 0 | 0 | 113 | ||
| 1121 | K | 76.9 | Confident | 78.1 | Confident | 134 Ų | 134 | 54 Ų | 54 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | trans | -123.9 | 107.2 | 172.7 | -66.9 | -172.7 | -168.6 | 175 | 0 | 110.3 | L1119 E1128 | L1119-K1121 PolarHBondContact O-N 3.05Å; K1121-E1128 WeakPolarHBondContact CD-OE1 3.3Å; K1121-E1128 IonicContact NZ-OE1 3.5Å; K1121-E1128 PolarHBondContact NZ-OE1 2.88Å | ||
| 1122 | P | 68.5 | Low | 79.9 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 29% | 0.292 | 27% | 0.266 | S | S | . | . | trans | -80.2 | -15.4 | 173 | 28.6 | -33.2 | 0 | 0 | 0 | 114.1 | L1092 T1117 G1148 | L1092-P1122 HydrophobicContact CD2-CB 3.55Å; L1092-P1122 HydrophobicContact CD2-CG 4.38Å; T1117-P1122 HydrophobicContact CG2-CB 4.32Å; P1122-G1148 WeakPolarHBondContact O-CA 3.47Å | ||
| 1123 | K | 76.2 | Confident | 81.1 | Confident | 183 Ų | 183 | 43.7 Ų | 43.7 | 80% | 0.796 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -93.5 | 130.1 | 174.1 | -67.5 | -175.8 | 179.8 | -179.7 | 0 | 109.4 | ||
| 1124 | V | 79.7 | Confident | 81.3 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | trans | -93 | 147.1 | 178.9 | -113.1 | 0 | 0 | 0 | 0 | 111.8 | V1130 L1146 A1150 I1207 | V1124-V1130 HydrophobicContact CG1-CB 4.38Å; V1124-V1130 HydrophobicContact CG1-CG1 3.49Å; V1124-V1130 VanDerWaalsContact CG1-CG1 3.49Å; V1124-V1130 HydrophobicContact CG1-CG2 4.12Å; V1124-L1146 HydrophobicContact CG2-CB 4.27Å; V1124-A1150 HydrophobicContact CG2-CB 3.82Å; V1124-I1207 HydrophobicContact CB-CD1 3.56Å; V1124-I1207 HydrophobicContact CG1-CD1 3.57Å; V1124-I1207 HydrophobicContact CG2-CD1 4.41Å | ||
| 1125 | S | 78.1 | Confident | 80.8 | Confident | 55 Ų | 55 | 43.4 Ų | 43.4 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | trans | -135 | 160.4 | 177.9 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | G1127 E1128 | S1125-G1127 PolarHBondContact O-N 3.13Å; S1125-E1128 PolarHBondContact N-OE2 2.65Å; S1125-E1128 PolarHBondContact O-N 2.61Å; S1125-E1128 PolarHBondContact OG-OE2 3.42Å | ||
| 1126 | V | 77.5 | Confident | 80 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 129.5 | -179.6 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | I1207 V1208 Q1210 | V1126-I1207 HydrophobicContact CB-CG2 4.32Å; V1126-I1207 HydrophobicContact CG2-CG2 4.04Å; V1126-V1208 WeakPolarHBondContact CG1-O 3.39Å; V1126-Q1210 HydrophobicContact CG2-CB 4.12Å; V1126-Q1210 HydrophobicContact CG2-CG 3.98Å |
| 1127 | G | 73.7 | Confident | 79 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -17.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1125 R1206 I1207 | S1125-G1127 PolarHBondContact O-N 3.13Å; G1127-R1206 PolarHBondContact O-NE 2.86Å; G1127-R1206 PolarHBondContact O-NH2 3.43Å; G1127-I1207 PolarHBondContact N-O 2.87Å |
| 1128 | E | 79.3 | Confident | 77.4 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | trans | -72.5 | 150.7 | 176.4 | -76.1 | 175.8 | 144.6 | 0 | 0 | 112.2 | K1121 S1125 R1206 I1207 | K1121-E1128 WeakPolarHBondContact CD-OE1 3.3Å; K1121-E1128 IonicContact NZ-OE1 3.5Å; K1121-E1128 PolarHBondContact NZ-OE1 2.88Å; S1125-E1128 PolarHBondContact N-OE2 2.65Å; S1125-E1128 PolarHBondContact O-N 2.61Å; S1125-E1128 PolarHBondContact OG-OE2 3.42Å; E1128-R1206 WeakPolarHBondContact O-CA 3.43Å; E1128-I1207 PolarHBondContact O-N 2.94Å; E1128-I1207 VanDerWaalsContact O-N 3.12Å | ||
| 1129 | I | 82.7 | Confident | 75.5 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.3 | 176.1 | -59.1 | 175.5 | 0 | 0 | 0 | 108.2 | T1204 R1206 L1241 | I1129-T1204 HydrophobicContact CG2-CG2 3.68Å; I1129-R1206 HydrophobicContact CG1-CB 4.46Å; I1129-R1206 HydrophobicContact CG1-CG 4.16Å; I1129-L1241 HydrophobicContact CD1-CD2 4.32Å; I1129-L1241 HydrophobicContact CG1-CD2 4.24Å; I1129-L1241 HydrophobicContact CG2-CD2 4.07Å |
| 1130 | V | 83.5 | Confident | 73.8 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 160.5 | -178.9 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | N1066 V1124 L1146 P1147 C1205 | N1066-V1130 CarbonylContact O-C 3.47Å; V1124-V1130 HydrophobicContact CG1-CB 4.38Å; V1124-V1130 HydrophobicContact CG1-CG1 3.49Å; V1124-V1130 VanDerWaalsContact CG1-CG1 3.49Å; V1124-V1130 HydrophobicContact CG1-CG2 4.12Å; V1130-L1146 HydrophobicContact CG2-CD2 3.83Å; V1130-P1147 HydrophobicContact CB-CG 4.05Å; V1130-P1147 HydrophobicContact CG1-CG 4.07Å; V1130-C1205 PolarHBondContact N-O 3.49Å; V1130-C1205 PolarHBondContact O-N 3.43Å |
| 1131 | C | 85.7 | Confident | 73 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 129.9 | 163.1 | -177 | 0 | 0 | 0 | 0 | 109.4 | N1066 I1071 I1203 | N1066-C1131 PolarHBondContact O-N 3.02Å; I1071-C1131 HydrophobicContact CD1-CB 3.76Å; I1071-C1131 WeakPolarHBondContact CD1-SG 3.36Å; C1131-I1203 CarbonylContact C-O 3.56Å; C1131-I1203 WeakPolarHBondContact CA-O 3.45Å |
| 1132 | A | 84.8 | Confident | 72.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 147.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1144 F1145 L1146 F1202 I1203 C1205 | A1132-V1144 HydrophobicContact CB-CB 3.96Å; A1132-V1144 HydrophobicContact CB-CG2 3.93Å; A1132-F1145 CarbonylContact C-O 3.57Å; A1132-F1145 VanDerWaalsContact CA-O 3.28Å; A1132-F1145 WeakPolarHBondContact CA-O 3.47Å; A1132-L1146 HydrophobicContact CB-CD2 3.71Å; A1132-F1202 CarbonylContact O-C 3.54Å; A1132-F1202 WeakPolarHBondContact O-CA 3.31Å; A1132-I1203 HydrophobicContact CB-CG1 4.03Å; A1132-I1203 PolarHBondContact N-O 3.45Å; A1132-I1203 PolarHBondContact O-N 3.47Å; A1132-C1205 WeakPolarHBondContact CB-SG 3.49Å |
| 1133 | Q | 83.2 | Confident | 73.4 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.9 | 178.8 | 178.5 | -156.7 | 53.1 | 0 | 0 | 110 | I1062 S1135 V1144 F1145 H1200 F1202 | I1062-Q1133 HydrophobicContact CD1-CB 3.48Å; I1062-Q1133 VanDerWaalsContact CD1-CB 3.48Å; I1062-Q1133 HydrophobicContact CD1-CG 4.34Å; I1062-Q1133 HydrophobicContact CG1-CB 4.03Å; Q1133-S1135 PolarHBondContact O-N 2.84Å; Q1133-S1135 VanDerWaalsContact O-N 3.17Å; Q1133-V1144 CarbonylContact O-C 3.51Å; Q1133-V1144 VanDerWaalsContact O-CA 3.31Å; Q1133-V1144 WeakPolarHBondContact O-CA 3.44Å; Q1133-F1145 HydrophobicContact CB-CB 4.3Å; Q1133-F1145 PolarHBondContact N-O 3.36Å; Q1133-F1145 PolarHBondContact O-N 2.77Å; Q1133-H1200 HydrophobicContact CG-CB 4.11Å; Q1133-H1200 PolarHBondContact NE2-ND1 3.19Å; Q1133-F1202 HydrophobicContact CB-CD1 3.95Å; Q1133-F1202 HydrophobicContact CB-CE1 3.96Å; Q1133-F1202 HydrophobicContact CG-CD1 4.33Å; Q1133-F1202 HydrophobicContact CG-CE1 4.11Å |
| 1134 | V | 80.3 | Confident | 73.7 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 114.1 | 178.4 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | L1137 W1142 V1144 H1200 Y1201 I1203 | V1134-L1137 HydrophobicContact CG1-CD2 3.58Å; V1134-W1142 HydrophobicContact CG1-CB 4.35Å; V1134-W1142 HydrophobicContact CG1-CD2 4.29Å; V1134-W1142 HydrophobicContact CG1-CE3 3.77Å; V1134-W1142 HydrophobicContact CG1-CZ3 4.43Å; V1134-W1142 HydrophobicContact CG2-CE3 3.84Å; V1134-W1142 HydrophobicContact CG2-CZ3 4.16Å; V1134-V1144 HydrophobicContact CG2-CG1 4.2Å; V1134-H1200 WeakPolarHBondContact O-CA 3.34Å; V1134-H1200 PolarHBondContact O-N 3.33Å; V1134-Y1201 PolarHBondContact N-O 2.9Å; V1134-I1203 HydrophobicContact CG2-CG2 4.19Å |
| 1135 | S | 71.3 | Confident | 73.9 | Confident | 42 Ų | 42 | 44.7 Ų | 44.7 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -39.8 | -169.9 | 54 | 0 | 0 | 0 | 0 | 114.4 | Q1133 T1143 | Q1133-S1135 PolarHBondContact O-N 2.84Å; Q1133-S1135 VanDerWaalsContact O-N 3.17Å; S1135-T1143 PolarHBondContact N-O 3.42Å; S1135-T1143 VanDerWaalsContact OG-C 3.27Å; S1135-T1143 PolarHBondContact OG-O 3.04Å; S1135-T1143 PolarHBondContact OG-OG1 3.38Å |
| 1136 | R | 68.6 | Low | 74.2 | Confident | 154 Ų | 154 | 42.1 Ų | 42.1 | 58% | 0.581 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 141.9 | 171.1 | -52.5 | -178 | 178.7 | 178.5 | 1.8 | 110 | W1142 T1143 | R1136-W1142 CarbonylContact O-C 3.58Å; R1136-W1142 WeakPolarHBondContact O-CA 3.42Å; R1136-T1143 WeakPolarHBondContact CA-OG1 3.49Å; R1136-T1143 VanDerWaalsContact CB-OG1 3.23Å; R1136-T1143 WeakPolarHBondContact CB-OG1 3.32Å; R1136-T1143 PolarHBondContact N-O 2.8Å; R1136-T1143 PolarHBondContact N-OG1 2.62Å; R1136-T1143 PolarHBondContact O-N 3.46Å; R1136-T1143 PolarHBondContact O-OG1 2.83Å |
| 1137 | L | 67.1 | Low | 74.5 | Confident | 81 Ų | 81 | 39 Ų | 39 | 42% | 0.424 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114.6 | 172.3 | -51.9 | 170.7 | 0 | 0 | 0 | 107.9 | V1134 W1142 I1197 | V1134-L1137 HydrophobicContact CG1-CD2 3.58Å; L1137-W1142 HydrophobicContact CD2-CB 4.38Å; L1137-W1142 HydrophobicContact CD2-CD2 3.4Å; L1137-W1142 VanDerWaalsContact CD2-CD2 3.4Å; L1137-W1142 VanDerWaalsContact CD2-CE2 3.47Å; L1137-W1142 HydrophobicContact CD2-CE3 3.9Å; L1137-W1142 HydrophobicContact CD2-CG 3.61Å; L1137-W1142 HydrophobicContact CD2-CH2 4.42Å; L1137-W1142 HydrophobicContact CD2-CZ2 4.02Å; L1137-W1142 HydrophobicContact CD2-CZ3 4.37Å; L1137-I1197 HydrophobicContact CD1-CB 4.41Å; L1137-I1197 HydrophobicContact CD1-CD1 4.37Å |
| 1138 | K | 54.5 | Low | 74.6 | Confident | 105 Ų | 105 | 38.7 Ų | 38.7 | 46% | 0.457 | 20% | 0.196 | S | C | . | . | trans | -97.9 | 173.5 | 160.4 | -62.3 | -166.8 | 176.9 | -175.4 | 0 | 109.5 | D1140 Y1141 | K1138-D1140 VanDerWaalsContact C-N 3.29Å; K1138-D1140 PolarHBondContact O-N 3.19Å; K1138-Y1141 WeakPolarHBondContact CA-O 3.3Å; K1138-Y1141 VanDerWaalsContact CB-O 3.29Å; K1138-Y1141 WeakPolarHBondContact CB-O 3.38Å; K1138-Y1141 HydrophobicContact CD-CE1 4.16Å; K1138-Y1141 HydrophobicContact CD-CE2 4Å; K1138-Y1141 PolarHBondContact N-O 3.15Å; K1138-Y1141 PolarHBondContact NZ-OH 3.35Å | ||
| 1139 | S | 48.8 | Very low | 74.4 | Confident | 53 Ų | 53 | 39.8 Ų | 39.8 | 37% | 0.371 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -57.2 | -39.3 | 176.4 | 40.3 | 0 | 0 | 0 | 0 | 113.2 | V1156 | S1139-V1156 WeakPolarHBondContact O-CG2 3.48Š|
| 1140 | D | 50.5 | Low | 74.2 | Confident | 66 Ų | 66 | 37.3 Ų | 37.3 | 35% | 0.353 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -109.6 | -35.3 | -167.1 | -8.7 | -71.1 | 0 | 0 | 0 | 111.1 | K1138 H1155 V1156 | K1138-D1140 VanDerWaalsContact C-N 3.29Å; K1138-D1140 PolarHBondContact O-N 3.19Å; D1140-H1155 PolarHBondContact O-CD2 3.26Å; D1140-H1155 PolarHBondContact O-NE2 3.01Å; D1140-H1155 VanDerWaalsContact O-NE2 3.15Å; D1140-V1156 WeakPolarHBondContact O-CB 3.48Å; D1140-V1156 WeakPolarHBondContact O-CG2 3.24Å; D1140-V1156 PolarHBondContact O-N 3.48Å |
| 1141 | Y | 61.9 | Low | 74 | Confident | 40 Ų | 40 | 38.9 Ų | 38.9 | 16% | 0.157 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 151.5 | 174.9 | 61.6 | -89.5 | 0 | 0 | 0 | 113.9 | K1138 T1143 R1153 L1154 | K1138-Y1141 WeakPolarHBondContact CA-O 3.3Å; K1138-Y1141 VanDerWaalsContact CB-O 3.29Å; K1138-Y1141 WeakPolarHBondContact CB-O 3.38Å; K1138-Y1141 HydrophobicContact CD-CE1 4.16Å; K1138-Y1141 HydrophobicContact CD-CE2 4Å; K1138-Y1141 PolarHBondContact N-O 3.15Å; K1138-Y1141 PolarHBondContact NZ-OH 3.35Å; Y1141-T1143 HydrophobicContact CD2-CG2 4.18Å; Y1141-T1143 HydrophobicContact CE2-CG2 3.92Å; Y1141-R1153 HydrophobicContact CD2-CB 4.15Å; Y1141-R1153 HydrophobicContact CD2-CG 3.77Å; Y1141-R1153 HydrophobicContact CE2-CG 3.97Å; Y1141-L1154 CarbonylContact C-O 3.57Å; Y1141-L1154 WeakPolarHBondContact CA-O 3.01Å; Y1141-L1154 WeakPolarHBondContact CB-O 3.48Å |
| 1142 | W | 74.1 | Confident | 73.6 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 5% | 0.045 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 130 | 167.8 | -60.8 | 4.2 | 0 | 0 | 0 | 108.4 | V1134 R1136 L1137 R1153 L1154 M1159 I1197 | V1134-W1142 HydrophobicContact CG1-CB 4.35Å; V1134-W1142 HydrophobicContact CG1-CD2 4.29Å; V1134-W1142 HydrophobicContact CG1-CE3 3.77Å; V1134-W1142 HydrophobicContact CG1-CZ3 4.43Å; V1134-W1142 HydrophobicContact CG2-CE3 3.84Å; V1134-W1142 HydrophobicContact CG2-CZ3 4.16Å; R1136-W1142 CarbonylContact O-C 3.58Å; R1136-W1142 WeakPolarHBondContact O-CA 3.42Å; L1137-W1142 HydrophobicContact CD2-CB 4.38Å; L1137-W1142 HydrophobicContact CD2-CD2 3.4Å; L1137-W1142 VanDerWaalsContact CD2-CD2 3.4Å; L1137-W1142 VanDerWaalsContact CD2-CE2 3.47Å; L1137-W1142 HydrophobicContact CD2-CE3 3.9Å; L1137-W1142 HydrophobicContact CD2-CG 3.61Å; L1137-W1142 HydrophobicContact CD2-CH2 4.42Å; L1137-W1142 HydrophobicContact CD2-CZ2 4.02Å; L1137-W1142 HydrophobicContact CD2-CZ3 4.37Å; W1142-R1153 WeakPolarHBondContact O-CA 3.45Å; W1142-L1154 HydrophobicContact CE3-CD2 4.25Å; W1142-L1154 PolarHBondContact N-O 2.79Å; W1142-L1154 PolarHBondContact O-N 3.35Å; W1142-M1159 HydrophobicContact CE3-SD 4.26Å; W1142-M1159 HydrophobicContact CH2-CE 3.26Å; W1142-M1159 HydrophobicContact CH2-SD 3.41Å; W1142-M1159 WeakPolarHBondContact CH2-SD 3.34Å; W1142-M1159 HydrophobicContact CZ2-CE 3.67Å; W1142-M1159 HydrophobicContact CZ2-CG 4.43Å; W1142-M1159 HydrophobicContact CZ2-SD 3.86Å; W1142-M1159 HydrophobicContact CZ3-CE 4.06Å; W1142-M1159 HydrophobicContact CZ3-SD 3.63Å; W1142-I1197 HydrophobicContact CH2-CB 4.49Å; W1142-I1197 HydrophobicContact CH2-CD1 3.56Å; W1142-I1197 HydrophobicContact CH2-CG1 3.7Å; W1142-I1197 HydrophobicContact CH2-CG2 4.23Å; W1142-I1197 HydrophobicContact CZ2-CD1 3.46Å; W1142-I1197 VanDerWaalsContact CZ2-CD1 3.46Å; W1142-I1197 HydrophobicContact CZ2-CG1 4.16Å; W1142-I1197 HydrophobicContact CZ3-CG2 4.32Å |
| 1143 | T | 79.1 | Confident | 73.3 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 137.8 | 164.5 | 60.6 | 0 | 0 | 0 | 0 | 108.9 | S1135 R1136 Y1141 G1152 | S1135-T1143 PolarHBondContact N-O 3.42Å; S1135-T1143 VanDerWaalsContact OG-C 3.27Å; S1135-T1143 PolarHBondContact OG-O 3.04Å; S1135-T1143 PolarHBondContact OG-OG1 3.38Å; R1136-T1143 WeakPolarHBondContact CA-OG1 3.49Å; R1136-T1143 VanDerWaalsContact CB-OG1 3.23Å; R1136-T1143 WeakPolarHBondContact CB-OG1 3.32Å; R1136-T1143 PolarHBondContact N-O 2.8Å; R1136-T1143 PolarHBondContact N-OG1 2.62Å; R1136-T1143 PolarHBondContact O-N 3.46Å; R1136-T1143 PolarHBondContact O-OG1 2.83Å; Y1141-T1143 HydrophobicContact CD2-CG2 4.18Å; Y1141-T1143 HydrophobicContact CE2-CG2 3.92Å; T1143-G1152 CarbonylContact C-O 3.57Å; T1143-G1152 VanDerWaalsContact CA-O 3.3Å; T1143-G1152 WeakPolarHBondContact CA-O 3.33Å |
| 1144 | V | 82.6 | Confident | 72.9 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.5 | 178.3 | -54.9 | 0 | 0 | 0 | 0 | 109.7 | A1132 Q1133 V1134 L1146 G1152 L1154 I1203 V1234 | A1132-V1144 HydrophobicContact CB-CB 3.96Å; A1132-V1144 HydrophobicContact CB-CG2 3.93Å; Q1133-V1144 CarbonylContact O-C 3.51Å; Q1133-V1144 VanDerWaalsContact O-CA 3.31Å; Q1133-V1144 WeakPolarHBondContact O-CA 3.44Å; V1134-V1144 HydrophobicContact CG2-CG1 4.2Å; V1144-L1146 HydrophobicContact CG2-CD2 4.29Å; V1144-G1152 PolarHBondContact N-O 3.37Å; V1144-G1152 PolarHBondContact O-N 2.8Å; V1144-L1154 HydrophobicContact CG1-CB 4.37Å; V1144-I1203 HydrophobicContact CG1-CD1 4.07Å; V1144-V1234 HydrophobicContact CG2-CG2 3.74Å |
| 1145 | F | 84.2 | Confident | 72.3 | Confident | 46 Ų | 46 | 43 Ų | 43 | 20% | 0.202 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.2 | 175.5 | -157.9 | -92 | 0 | 0 | 0 | 108.4 | I1062 A1132 Q1133 R1149 | I1062-F1145 HydrophobicContact CD1-CB 4.31Å; I1062-F1145 HydrophobicContact CD1-CD1 3.61Å; I1062-F1145 HydrophobicContact CD1-CE1 4.42Å; I1062-F1145 HydrophobicContact CD1-CG 4.4Å; A1132-F1145 CarbonylContact C-O 3.57Å; A1132-F1145 VanDerWaalsContact CA-O 3.28Å; A1132-F1145 WeakPolarHBondContact CA-O 3.47Å; Q1133-F1145 HydrophobicContact CB-CB 4.3Å; Q1133-F1145 PolarHBondContact N-O 3.36Å; Q1133-F1145 PolarHBondContact O-N 2.77Å; F1145-R1149 HydrophobicContact CE1-CB 4.22Å; F1145-R1149 HydrophobicContact CE1-CG 4.23Å; F1145-R1149 HydrophobicContact CZ-CB 3.74Å; F1145-R1149 HydrophobicContact CZ-CG 3.86Å |
| 1146 | L | 85.2 | Confident | 71.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -98.9 | 168.6 | -177.8 | -61.2 | 167.5 | 0 | 0 | 0 | 109.8 | V1124 V1130 A1132 V1144 A1150 I1207 Y1232 V1234 | V1124-L1146 HydrophobicContact CG2-CB 4.27Å; V1130-L1146 HydrophobicContact CG2-CD2 3.83Å; A1132-L1146 HydrophobicContact CB-CD2 3.71Å; V1144-L1146 HydrophobicContact CG2-CD2 4.29Å; L1146-A1150 HydrophobicContact CB-CB 3.98Å; L1146-A1150 WeakPolarHBondContact CB-O 3.37Å; L1146-A1150 HydrophobicContact CD1-CB 4.37Å; L1146-A1150 PolarHBondContact N-O 2.95Å; L1146-I1207 HydrophobicContact CD1-CD1 4.31Å; L1146-Y1232 HydrophobicContact CD1-CD2 3.88Å; L1146-Y1232 HydrophobicContact CD1-CG 4.09Å; L1146-V1234 HydrophobicContact CD2-CG1 4.38Å |
| 1147 | P | 83.5 | Confident | 70.9 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -53.5 | 152.8 | 172.8 | -26.8 | 36.1 | 0 | 0 | 0 | 113.1 | I1062 L1119 V1130 R1149 A1150 | I1062-P1147 HydrophobicContact CG2-CB 4.42Å; I1062-P1147 HydrophobicContact CG2-CG 3.95Å; L1119-P1147 HydrophobicContact CD1-CB 3.7Å; L1119-P1147 HydrophobicContact CD1-CG 3.99Å; V1130-P1147 HydrophobicContact CB-CG 4.05Å; V1130-P1147 HydrophobicContact CG1-CG 4.07Å; P1147-R1149 PolarHBondContact O-N 2.64Å; P1147-A1150 PolarHBondContact O-N 3.23Å |
| 1148 | G | 76.5 | Confident | 70.3 | Confident | 24 Ų | 24 | 33.2 Ų | 33.2 | 25% | 0.247 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | 67.5 | 19.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1122 A1150 | P1122-G1148 WeakPolarHBondContact O-CA 3.47Å; G1148-A1150 VanDerWaalsContact C-N 3.32Å; G1148-A1150 PolarHBondContact O-N 2.97Å |
| 1149 | R | 74.2 | Confident | 70.4 | Confident | 70 Ų | 70 | 28.8 Ų | 28.8 | 26% | 0.264 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | 67.1 | 19.2 | -175.2 | -50.1 | -177.7 | 178.5 | 172.6 | -4.5 | 115.5 | Y1058 F1093 D1098 E1115 F1145 P1147 | Y1058-R1149 PolarHBondContact OH-NH2 3.45Å; F1093-R1149 HydrophobicContact CE2-CG 3.74Å; F1093-R1149 VanDerWaalsContact CE2-NE 3.28Å; F1093-R1149 HydrophobicContact CZ-CG 4.23Å; D1098-R1149 IonicContact OD1-NH1 2.92Å; E1115-R1149 IonicContact OE2-CZ 2.64Å; E1115-R1149 IonicContact OE2-NE 3.16Å; E1115-R1149 PolarHBondContact OE2-NE 2.86Å; E1115-R1149 IonicContact OE2-NH2 2.8Å; E1115-R1149 PolarHBondContact OE2-NH2 2.94Å; F1145-R1149 HydrophobicContact CE1-CB 4.22Å; F1145-R1149 HydrophobicContact CE1-CG 4.23Å; F1145-R1149 HydrophobicContact CZ-CB 3.74Å; F1145-R1149 HydrophobicContact CZ-CG 3.86Å; P1147-R1149 PolarHBondContact O-N 2.64Å |
| 1150 | A | 79.2 | Confident | 70.4 | Confident | 22 Ų | 22 | 28.6 Ų | 28.6 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | trans | -72.2 | 154.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1124 L1146 P1147 G1148 Y1232 | V1124-A1150 HydrophobicContact CG2-CB 3.82Å; L1146-A1150 HydrophobicContact CB-CB 3.98Å; L1146-A1150 WeakPolarHBondContact CB-O 3.37Å; L1146-A1150 HydrophobicContact CD1-CB 4.37Å; L1146-A1150 PolarHBondContact N-O 2.95Å; P1147-A1150 PolarHBondContact O-N 3.23Å; G1148-A1150 VanDerWaalsContact C-N 3.32Å; G1148-A1150 PolarHBondContact O-N 2.97Å; A1150-Y1232 HydrophobicContact CB-CD2 4.24Å; A1150-Y1232 HydrophobicContact CB-CE2 3.95Å | ||
| 1151 | S | 78.7 | Confident | 70.1 | Confident | 38 Ų | 38 | 29.5 Ų | 29.5 | 27% | 0.266 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 135.7 | -177.7 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | Y1232 | S1151-Y1232 WeakPolarHBondContact O-CD2 3.38Å; S1151-Y1232 PolarHBondContact O-N 2.95Å; S1151-Y1232 VanDerWaalsContact O-N 3.08Å |
| 1152 | G | 77.7 | Confident | 68.9 | Low | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 158.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1143 V1144 Y1232 | T1143-G1152 CarbonylContact C-O 3.57Å; T1143-G1152 VanDerWaalsContact CA-O 3.3Å; T1143-G1152 WeakPolarHBondContact CA-O 3.33Å; V1144-G1152 PolarHBondContact N-O 3.37Å; V1144-G1152 PolarHBondContact O-N 2.8Å; G1152-Y1232 CarbonylContact C-O 3.58Å; G1152-Y1232 WeakPolarHBondContact CA-O 3.36Å |
| 1153 | R | 77.4 | Confident | 67.4 | Low | 79 Ų | 79 | 39 Ų | 39 | 30% | 0.298 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 122.4 | 170.5 | -65.7 | -176.5 | -175.7 | -176.1 | 3.3 | 110.5 | Y1141 W1142 I1231 Y1232 F1233 V1234 | Y1141-R1153 HydrophobicContact CD2-CB 4.15Å; Y1141-R1153 HydrophobicContact CD2-CG 3.77Å; Y1141-R1153 HydrophobicContact CE2-CG 3.97Å; W1142-R1153 WeakPolarHBondContact O-CA 3.45Å; R1153-I1231 HydrophobicContact CG-CG2 3.75Å; R1153-Y1232 PolarHBondContact N-O 3.45Å; R1153-F1233 HydrophobicContact CB-CD1 4.07Å; R1153-F1233 HydrophobicContact CB-CE1 4.17Å; R1153-V1234 PolarHBondContact O-N 2.79Å |
| 1154 | L | 75.9 | Confident | 65.7 | Low | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 118.5 | 171.8 | 169.9 | 69.5 | 0 | 0 | 0 | 108.1 | Y1141 W1142 V1144 D1158 I1203 V1234 N1236 | Y1141-L1154 CarbonylContact C-O 3.57Å; Y1141-L1154 WeakPolarHBondContact CA-O 3.01Å; Y1141-L1154 WeakPolarHBondContact CB-O 3.48Å; W1142-L1154 HydrophobicContact CE3-CD2 4.25Å; W1142-L1154 PolarHBondContact N-O 2.79Å; W1142-L1154 PolarHBondContact O-N 3.35Å; V1144-L1154 HydrophobicContact CG1-CB 4.37Å; L1154-D1158 HydrophobicContact CD1-CB 3.97Å; L1154-I1203 HydrophobicContact CD2-CD1 3.76Å; L1154-V1234 WeakPolarHBondContact CD1-O 3.39Å; L1154-N1236 HydrophobicContact CD1-CB 4.17Å |
| 1155 | H | 66.4 | Low | 63.4 | Low | 34 Ų | 34 | 42 Ų | 42 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 143.8 | 178 | -165 | -100.7 | 0 | 0 | 0 | 111.2 | D1140 T1157 D1158 I1286 P1315 | D1140-H1155 PolarHBondContact O-CD2 3.26Å; D1140-H1155 PolarHBondContact O-NE2 3.01Å; D1140-H1155 VanDerWaalsContact O-NE2 3.15Å; H1155-T1157 PolarHBondContact CE1-OG1 2.81Å; H1155-T1157 PolarHBondContact ND1-N 2.91Å; H1155-T1157 PolarHBondContact ND1-OG1 3.33Å; H1155-T1157 PolarHBondContact O-N 2.93Å; H1155-T1157 VanDerWaalsContact O-N 3.16Å; H1155-D1158 WeakPolarHBondContact O-CB 3.25Å; H1155-D1158 PolarHBondContact O-N 3.03Å; H1155-I1286 HydrophobicContact CB-CD1 3.62Å; H1155-I1286 WeakPolarHBondContact ND1-CD1 3.37Å; H1155-P1315 VanDerWaalsContact NE2-CG 3.28Å; H1155-P1315 WeakPolarHBondContact NE2-CG 3.35Å |
| 1156 | V | 58.7 | Low | 61 | Low | 30 Ų | 30 | 41.6 Ų | 41.6 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -59.8 | -30.3 | -175.8 | 166.9 | 0 | 0 | 0 | 0 | 112.2 | S1139 D1140 D1158 M1159 | S1139-V1156 WeakPolarHBondContact O-CG2 3.48Å; D1140-V1156 WeakPolarHBondContact O-CB 3.48Å; D1140-V1156 WeakPolarHBondContact O-CG2 3.24Å; D1140-V1156 PolarHBondContact O-N 3.48Å; V1156-D1158 VanDerWaalsContact C-N 3.31Å; V1156-D1158 PolarHBondContact O-N 2.8Å; V1156-M1159 WeakPolarHBondContact O-CB 3.33Å; V1156-M1159 WeakPolarHBondContact O-CG 3.38Å; V1156-M1159 PolarHBondContact O-N 2.83Å |
| 1157 | T | 52.2 | Low | 58.5 | Low | 21 Ų | 21 | 50 Ų | 50 | 13% | 0.129 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -87.8 | 4.2 | 178.8 | 65.6 | 0 | 0 | 0 | 0 | 114.7 | H1155 M1159 T1283 | H1155-T1157 PolarHBondContact CE1-OG1 2.81Å; H1155-T1157 PolarHBondContact ND1-N 2.91Å; H1155-T1157 PolarHBondContact ND1-OG1 3.33Å; H1155-T1157 PolarHBondContact O-N 2.93Å; H1155-T1157 VanDerWaalsContact O-N 3.16Å; T1157-M1159 VanDerWaalsContact C-N 3.32Å; T1157-T1283 WeakPolarHBondContact CB-O 3.2Å; T1157-T1283 WeakPolarHBondContact CG2-O 3.3Å; T1157-T1283 PolarHBondContact OG1-O 3.31Å |
| 1158 | D | 55.4 | Low | 56 | Low | 21 Ų | 21 | 54.4 Ų | 54.4 | 11% | 0.112 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -92 | 2.8 | 166.5 | -134.7 | 60.3 | 0 | 0 | 0 | 112.5 | L1154 H1155 V1156 S1235 K1237 | L1154-D1158 HydrophobicContact CD1-CB 3.97Å; H1155-D1158 WeakPolarHBondContact O-CB 3.25Å; H1155-D1158 PolarHBondContact O-N 3.03Å; V1156-D1158 VanDerWaalsContact C-N 3.31Å; V1156-D1158 PolarHBondContact O-N 2.8Å; D1158-S1235 WeakPolarHBondContact OD2-CA 3.45Å; D1158-S1235 WeakPolarHBondContact OD2-CB 3.45Å; D1158-S1235 PolarHBondContact OD2-OG 2.84Å; D1158-K1237 VanDerWaalsContact OD1-CD 3.23Å; D1158-K1237 WeakPolarHBondContact OD1-CD 3.41Å; D1158-K1237 WeakPolarHBondContact OD1-CE 3.17Å; D1158-K1237 IonicContact OD1-NZ 3.92Å; D1158-K1237 PolarHBondContact OD1-NZ 3.04Å |
| 1159 | M | 55.2 | Low | 54 | Low | 11 Ų | 11 | 59.3 Ų | 59.3 | 5% | 0.054 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -73.1 | 132.1 | 175 | -78 | -82.1 | -69.9 | 0 | 0 | 113.5 | W1142 V1156 T1157 H1161 L1164 V1166 | W1142-M1159 HydrophobicContact CE3-SD 4.26Å; W1142-M1159 HydrophobicContact CH2-CE 3.26Å; W1142-M1159 HydrophobicContact CH2-SD 3.41Å; W1142-M1159 WeakPolarHBondContact CH2-SD 3.34Å; W1142-M1159 HydrophobicContact CZ2-CE 3.67Å; W1142-M1159 HydrophobicContact CZ2-CG 4.43Å; W1142-M1159 HydrophobicContact CZ2-SD 3.86Å; W1142-M1159 HydrophobicContact CZ3-CE 4.06Å; W1142-M1159 HydrophobicContact CZ3-SD 3.63Å; V1156-M1159 WeakPolarHBondContact O-CB 3.33Å; V1156-M1159 WeakPolarHBondContact O-CG 3.38Å; V1156-M1159 PolarHBondContact O-N 2.83Å; T1157-M1159 VanDerWaalsContact C-N 3.32Å; M1159-H1161 PolarHBondContact O-N 2.89Å; M1159-L1164 HydrophobicContact CE-CB 3.66Å; M1159-L1164 HydrophobicContact CE-CD1 3.64Å; M1159-L1164 HydrophobicContact CE-CG 4.12Å; M1159-L1164 HydrophobicContact SD-CD1 3.93Å; M1159-V1166 HydrophobicContact CE-CB 4.36Å; M1159-V1166 HydrophobicContact CE-CG1 4.5Å; M1159-V1166 HydrophobicContact CE-CG2 4.22Å |
| 1160 | N | 49.3 | Very low | 52.1 | Low | 49 Ų | 49 | 63.3 Ų | 63.3 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | trans | -77.1 | 85.4 | 165.6 | -127 | 35.6 | 0 | 0 | 0 | 109.7 | L1162 D1163 L1164 | N1160-L1162 PolarHBondContact O-N 3.24Å; N1160-D1163 PolarHBondContact ND2-OD2 3.39Å; N1160-D1163 PolarHBondContact O-N 3.22Å; N1160-D1163 VanDerWaalsContact O-N 3.13Å; N1160-L1164 PolarHBondContact O-N 2.88Å | ||
| 1161 | H | 43.8 | Very low | 49.7 | Very low | 85 Ų | 85 | 67.1 Ų | 67.1 | 39% | 0.394 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -7.5 | 178.3 | -69.7 | -83.9 | 0 | 0 | 0 | 115 | M1159 V1166 | M1159-H1161 PolarHBondContact O-N 2.89Å; H1161-V1166 PolarHBondContact ND1-O 2.66Å |
| 1162 | L | 38.4 | Very low | 47.5 | Very low | 128 Ų | 128 | 69.8 Ų | 69.8 | 67% | 0.67 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -36.2 | 175.8 | -72.5 | 163.4 | 0 | 0 | 0 | 112.6 | N1160 | N1160-L1162 PolarHBondContact O-N 3.24Š|
| 1163 | D | 42.3 | Very low | 45.3 | Very low | 125 Ų | 125 | 78.3 Ų | 78.3 | 67% | 0.668 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -17.9 | -176.1 | -57.6 | -60.4 | 0 | 0 | 0 | 112.9 | N1160 | N1160-D1163 PolarHBondContact ND2-OD2 3.39Å; N1160-D1163 PolarHBondContact O-N 3.22Å; N1160-D1163 VanDerWaalsContact O-N 3.13Å |
| 1164 | L | 42.2 | Very low | 43 | Very low | 24 Ų | 24 | 80.9 Ų | 80.9 | 13% | 0.126 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -121.7 | 107.8 | -178.3 | -77.6 | 147.8 | 0 | 0 | 0 | 108.3 | M1159 N1160 V1166 | M1159-L1164 HydrophobicContact CE-CB 3.66Å; M1159-L1164 HydrophobicContact CE-CD1 3.64Å; M1159-L1164 HydrophobicContact CE-CG 4.12Å; M1159-L1164 HydrophobicContact SD-CD1 3.93Å; N1160-L1164 PolarHBondContact O-N 2.88Å; L1164-V1166 HydrophobicContact CB-CG2 3.97Å; L1164-V1166 PolarHBondContact O-N 3.22Å |
| 1165 | D | 34.8 | Very low | 40.6 | Very low | 72 Ų | 72 | 86 Ų | 86 | 39% | 0.385 | 47% | 0.474 | S | S | . | . | trans | -73.7 | 59.5 | -173.7 | -157.9 | 47.4 | 0 | 0 | 0 | 111.7 | N1195 R1653 | D1165-N1195 PolarHBondContact OD2-ND2 3.4Å; D1165-R1653 IonicContact OD1-CZ 3.49Å; D1165-R1653 VanDerWaalsContact OD1-CZ 3.32Å; D1165-R1653 IonicContact OD1-NH1 3.33Å; D1165-R1653 PolarHBondContact OD1-NH1 2.93Å; D1165-R1653 IonicContact OD1-NH2 2.77Å; D1165-R1653 PolarHBondContact OD1-NH2 3.09Å | ||
| 1166 | V | 34.3 | Very low | 38.9 | Very low | 36 Ų | 36 | 91.8 Ų | 91.8 | 22% | 0.218 | 51% | 0.506 | C | S | . | . | trans | -116.7 | 114 | -163.9 | 174.2 | 0 | 0 | 0 | 0 | 109.3 | M1159 H1161 L1164 I1197 | M1159-V1166 HydrophobicContact CE-CB 4.36Å; M1159-V1166 HydrophobicContact CE-CG1 4.5Å; M1159-V1166 HydrophobicContact CE-CG2 4.22Å; H1161-V1166 PolarHBondContact ND1-O 2.66Å; L1164-V1166 HydrophobicContact CB-CG2 3.97Å; L1164-V1166 PolarHBondContact O-N 3.22Å; V1166-I1197 HydrophobicContact CB-CD1 4.41Å; V1166-I1197 HydrophobicContact CG1-CD1 3.82Å; V1166-I1197 HydrophobicContact CG2-CD1 3.61Å; V1166-I1197 HydrophobicContact CG2-CG1 3.61Å | ||
| 1167 | K | 31.8 | Very low | 37.3 | Very low | 178 Ų | 178 | 95.3 Ų | 95.3 | 77% | 0.774 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 145.8 | 165.7 | -68.1 | -174.4 | 174.6 | -173.6 | 0 | 110 | ||
| 1168 | P | 32.7 | Very low | 36.1 | Very low | 93 Ų | 93 | 100.1 Ų | 100.1 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 157.6 | 160 | -21.6 | 33.6 | 0 | 0 | 0 | 111.1 | ||
| 1169 | L | 33.8 | Very low | 34.9 | Very low | 127 Ų | 127 | 103 Ų | 103 | 67% | 0.665 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 127.9 | 165.5 | -145.7 | 75.2 | 0 | 0 | 0 | 107.8 | L1171 | L1169-L1171 PolarHBondContact O-N 3.13Å; L1169-L1171 VanDerWaalsContact O-N 3.08Å |
| 1170 | D | 34.4 | Very low | 33.4 | Very low | 155 Ų | 155 | 110.6 Ų | 110.6 | 83% | 0.829 | 64% | 0.64 | S | S | * | * | trans | -68.5 | 105.6 | 172.9 | -81.7 | -49.7 | 0 | 0 | 0 | 108.9 | A1172 | D1170-A1172 PolarHBondContact O-N 3.32Š| ||
| 1171 | L | 29.1 | Very low | 32.2 | Very low | 102 Ų | 102 | 110.3 Ų | 110.3 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | 20.8 | -173.2 | -77.3 | 159.8 | 0 | 0 | 0 | 114.2 | L1169 L1318 | L1169-L1171 PolarHBondContact O-N 3.13Å; L1169-L1171 VanDerWaalsContact O-N 3.08Å; L1171-L1318 HydrophobicContact CD1-CB 3.94Å; L1171-L1318 HydrophobicContact CD1-CD1 3.57Å; L1171-L1318 HydrophobicContact CD1-CG 4.37Å |
| 1172 | A | 32.4 | Very low | 31.4 | Very low | 94 Ų | 94 | 111.4 Ų | 111.4 | 78% | 0.777 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -10.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1170 | D1170-A1172 PolarHBondContact O-N 3.32Š|
| 1173 | E | 29.9 | Very low | 30.8 | Very low | 179 Ų | 179 | 109.1 Ų | 109.1 | 84% | 0.836 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -129.5 | 65.4 | -174.7 | -66.8 | -170.9 | 169.2 | 0 | 0 | 112.7 | ||
| 1174 | T | 29.7 | Very low | 30 | Very low | 134 Ų | 134 | 105.7 Ų | 105.7 | 82% | 0.822 | 64% | 0.639 | S | S | * | * | trans | -172.7 | 86.7 | 148.4 | 14.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1175 | S | 26.3 | Very low | 29.2 | Very low | 109 Ų | 109 | 108.6 Ų | 108.6 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | trans | -87.8 | 118.4 | 142.9 | 54.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1176 | D | 30.4 | Very low | 28.9 | Very low | 155 Ų | 155 | 113.1 Ų | 113.1 | 83% | 0.829 | 67% | 0.673 | S | S | * | * | trans | 156.5 | 110.6 | 156.7 | -81.5 | -12.6 | 0 | 0 | 0 | 108.4 | ||||
| 1177 | A | 25.4 | Very low | 28.4 | Very low | 104 Ų | 104 | 116 Ų | 116 | 86% | 0.86 | 69% | 0.686 | S | S | * | * | trans | -108.1 | 115.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1178 | S | 26.6 | Very low | 28.1 | Very low | 122 Ų | 122 | 113.3 Ų | 113.3 | 85% | 0.853 | 68% | 0.675 | S | S | * | * | trans | -174.5 | 25.7 | 168.8 | 49.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1179 | A | 29.3 | Very low | 27.8 | Very low | 80 Ų | 80 | 116.4 Ų | 116.4 | 66% | 0.661 | 69% | 0.686 | S | S | * | * | trans | -146.3 | 38.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1180 | L | 24.3 | Very low | 27.4 | Very low | 172 Ų | 172 | 115.6 Ų | 115.6 | 90% | 0.901 | 68% | 0.681 | S | S | * | * | trans | -128.8 | 34.6 | -178.7 | -84.3 | 176.3 | 0 | 0 | 0 | 116.1 | ||||
| 1181 | S | 24.1 | Very low | 27.1 | Very low | 43 Ų | 43 | 115.5 Ų | 115.5 | 30% | 0.301 | 68% | 0.675 | S | S | . | * | trans | -131.8 | 49.6 | -175.4 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | F1222 | S1181-F1222 VanDerWaalsContact CB-CB 3.42Å; S1181-F1222 WeakPolarHBondContact CB-O 3.46Å; S1181-F1222 WeakPolarHBondContact OG-CB 3.3Å | ||
| 1182 | S | 27.3 | Very low | 26.9 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | -160.6 | 121.7 | 163.5 | 26.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1183 | S | 25.9 | Very low | 26.5 | Very low | 80 Ų | 80 | 120.5 Ų | 120.5 | 56% | 0.559 | 69% | 0.685 | S | S | * | * | 71.8 | 99.7 | 125.2 | -49.6 | 0 | 0 | 0 | 0 | 122.5 | N1106 | N1106-S1183 VanDerWaalsContact CG-CA 3.41Å; N1106-S1183 PolarHBondContact ND2-OG 3.28Å; N1106-S1183 VanDerWaalsContact ND2-OG 3.13Å; N1106-S1183 WeakPolarHBondContact OD1-CA 3.04Å; N1106-S1183 WeakPolarHBondContact OD1-CB 2.99Å; N1106-S1183 PolarHBondContact OD1-OG 2.8Å | |||
| 1184 | S | 25 | Very low | 26.4 | Very low | 52 Ų | 52 | 116.1 Ų | 116.1 | 36% | 0.364 | 67% | 0.674 | S | S | . | * | trans | -56.5 | 131 | 162.8 | -58.4 | 0 | 0 | 0 | 0 | 114.4 | N1106 | N1106-S1184 VanDerWaalsContact O-CB 3.29Å; N1106-S1184 WeakPolarHBondContact O-CB 3.46Å; N1106-S1184 PolarHBondContact O-OG 3.01Å | ||
| 1185 | S | 26.7 | Very low | 26.3 | Very low | 85 Ų | 85 | 115.7 Ų | 115.7 | 59% | 0.594 | 67% | 0.667 | S | S | * | * | 176.3 | 117.8 | 112.3 | 47.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1186 | R | 27.5 | Very low | 26.9 | Very low | 167 Ų | 167 | 117.7 Ų | 117.7 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | trans | 166.7 | 111 | 139.7 | -92.2 | 163.9 | -164.6 | -170.3 | 8.7 | 110.1 | F737 | F737-R1186 HydrophobicContact CE1-CB 3.76Å; F737-R1186 HydrophobicContact CE1-CG 4.38Å; F737-R1186 HydrophobicContact CZ-CB 4.48Å | ||
| 1187 | I | 24.8 | Very low | 27.5 | Very low | 98 Ų | 98 | 112 Ų | 112 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | trans | -92.8 | 166.9 | 163.3 | -65.7 | 163.3 | 0 | 0 | 0 | 107.1 | H1200 | I1187-H1200 WeakPolarHBondContact CD1-NE2 3.27Š| ||
| 1188 | F | 25.2 | Very low | 28.5 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 53% | 0.526 | 62% | 0.622 | S | S | . | * | trans | 73 | 121.6 | -173.7 | -51.5 | -85.5 | 0 | 0 | 0 | 112.4 | ||||
| 1189 | N | 25.7 | Very low | 29.7 | Very low | 158 Ų | 158 | 110.6 Ų | 110.6 | 85% | 0.845 | 60% | 0.604 | S | S | * | * | cis | -135.5 | 175.7 | 26.5 | -89.7 | -27.5 | 0 | 0 | 0 | 114.5 | ||||
| 1190 | I | 25.6 | Very low | 31.3 | Very low | 111 Ų | 111 | 109.3 Ų | 109.3 | 57% | 0.569 | 58% | 0.584 | S | S | * | * | trans | -121.9 | 132.9 | -177 | -64.8 | 164.4 | 0 | 0 | 0 | 110.2 | ||||
| 1191 | H | 27.5 | Very low | 33.6 | Very low | 152 Ų | 152 | 105.2 Ų | 105.2 | 70% | 0.704 | 56% | 0.557 | S | S | * | * | trans | -149.7 | 99.5 | 140.3 | -83.8 | -76.8 | 0 | 0 | 0 | 105 | ||||
| 1192 | E | 25.5 | Very low | 36.4 | Very low | 138 Ų | 138 | 104 Ų | 104 | 65% | 0.645 | 55% | 0.546 | S | S | * | . | 93.6 | 145.9 | 90.8 | -81.7 | 175 | 148.5 | 0 | 0 | 112.7 | |||||
| 1193 | N | 23.8 | Very low | 39.1 | Very low | 163 Ų | 163 | 99.3 Ų | 99.3 | 87% | 0.872 | 51% | 0.512 | S | S | * | . | trans | 64.7 | 68 | 179.1 | -60 | -17.4 | 0 | 0 | 0 | 119.3 | ||||
| 1194 | S | 28.7 | Very low | 41.9 | Very low | 87 Ų | 87 | 97.5 Ų | 97.5 | 61% | 0.608 | 50% | 0.498 | S | S | * | . | trans | -164.9 | 145.8 | 143.3 | 43.5 | 0 | 0 | 0 | 0 | 113.3 | Q1196 | S1194-Q1196 PolarHBondContact O-N 2.74Š| ||
| 1195 | N | 26.5 | Very low | 44.5 | Very low | 126 Ų | 126 | 95 Ų | 95 | 67% | 0.674 | 48% | 0.481 | S | S | * | . | trans | -79.1 | 77 | -179.9 | -73.2 | 15.6 | 0 | 0 | 0 | 111.6 | D1165 | D1165-N1195 PolarHBondContact OD2-ND2 3.4Š| ||
| 1196 | Q | 38.4 | Very low | 47.1 | Very low | 151 Ų | 151 | 94.3 Ų | 94.3 | 71% | 0.706 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -129.2 | 148.6 | 166.9 | -67.1 | -172.4 | -5.8 | 0 | 0 | 110.1 | S1194 K1198 | S1194-Q1196 PolarHBondContact O-N 2.74Å; Q1196-K1198 PolarHBondContact O-N 3.46Å; Q1196-K1198 VanDerWaalsContact O-N 3.1Å |
| 1197 | I | 43.4 | Very low | 49.7 | Very low | 35 Ų | 35 | 86.5 Ų | 86.5 | 18% | 0.179 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 117.1 | 179.8 | -51.4 | 115.2 | 0 | 0 | 0 | 108.4 | L1137 W1142 V1166 A1199 | L1137-I1197 HydrophobicContact CD1-CB 4.41Å; L1137-I1197 HydrophobicContact CD1-CD1 4.37Å; W1142-I1197 HydrophobicContact CH2-CB 4.49Å; W1142-I1197 HydrophobicContact CH2-CD1 3.56Å; W1142-I1197 HydrophobicContact CH2-CG1 3.7Å; W1142-I1197 HydrophobicContact CH2-CG2 4.23Å; W1142-I1197 HydrophobicContact CZ2-CD1 3.46Å; W1142-I1197 VanDerWaalsContact CZ2-CD1 3.46Å; W1142-I1197 HydrophobicContact CZ2-CG1 4.16Å; W1142-I1197 HydrophobicContact CZ3-CG2 4.32Å; V1166-I1197 HydrophobicContact CB-CD1 4.41Å; V1166-I1197 HydrophobicContact CG1-CD1 3.82Å; V1166-I1197 HydrophobicContact CG2-CD1 3.61Å; V1166-I1197 HydrophobicContact CG2-CG1 3.61Å; I1197-A1199 PolarHBondContact O-N 2.92Å |
| 1198 | K | 46.3 | Very low | 52.1 | Low | 140 Ų | 140 | 85.4 Ų | 85.4 | 61% | 0.609 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 122.5 | 169.3 | -65.6 | -176.3 | 179.9 | -179.1 | 0 | 107.8 | Q1196 Y1201 | Q1196-K1198 PolarHBondContact O-N 3.46Å; Q1196-K1198 VanDerWaalsContact O-N 3.1Å; K1198-Y1201 WeakPolarHBondContact O-CB 3.08Å; K1198-Y1201 PolarHBondContact O-N 3.17Å; K1198-Y1201 VanDerWaalsContact O-N 3.14Å |
| 1199 | A | 51.4 | Low | 54.2 | Low | 57 Ų | 57 | 81.8 Ų | 81.8 | 47% | 0.471 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 146.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | I1197 | I1197-A1199 PolarHBondContact O-N 2.92Š|
| 1200 | H | 63.7 | Low | 56.4 | Low | 52 Ų | 52 | 78.6 Ų | 78.6 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 18.6 | -167.7 | -42.1 | -77.6 | 0 | 0 | 0 | 116 | Q1043 Q1133 V1134 I1187 | Q1043-H1200 PolarHBondContact NE2-O 3.28Å; Q1043-H1200 PolarHBondContact OE1-O 3.46Å; Q1133-H1200 HydrophobicContact CG-CB 4.11Å; Q1133-H1200 PolarHBondContact NE2-ND1 3.19Å; V1134-H1200 WeakPolarHBondContact O-CA 3.34Å; V1134-H1200 PolarHBondContact O-N 3.33Å; I1187-H1200 WeakPolarHBondContact CD1-NE2 3.27Å |
| 1201 | Y | 73.7 | Confident | 58 | Low | 86 Ų | 86 | 75.5 Ų | 75.5 | 34% | 0.337 | 39% | 0.388 | S | S | . | . | trans | -68.1 | 136.8 | 170.7 | -165.9 | -88.3 | 0 | 0 | 0 | 111.6 | R1072 V1134 K1198 I1203 | R1072-Y1201 PolarHBondContact NH2-OH 2.83Å; V1134-Y1201 PolarHBondContact N-O 2.9Å; K1198-Y1201 WeakPolarHBondContact O-CB 3.08Å; K1198-Y1201 PolarHBondContact O-N 3.17Å; K1198-Y1201 VanDerWaalsContact O-N 3.14Å; Y1201-I1203 HydrophobicContact CD1-CG2 3.98Å; Y1201-I1203 HydrophobicContact CE1-CG2 4.33Å | ||
| 1202 | F | 82.6 | Confident | 59.4 | Low | 19 Ų | 19 | 75.2 Ų | 75.2 | 8% | 0.083 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 127.4 | 176.4 | -61.2 | -62.1 | 0 | 0 | 0 | 112.3 | Q1043 L1061 I1062 V1068 I1071 A1132 Q1133 | Q1043-F1202 HydrophobicContact CB-CZ 4.04Å; Q1043-F1202 HydrophobicContact CG-CE2 4.12Å; Q1043-F1202 HydrophobicContact CG-CZ 3.84Å; L1061-F1202 HydrophobicContact CB-CE2 4.35Å; L1061-F1202 HydrophobicContact CB-CZ 3.8Å; L1061-F1202 HydrophobicContact CD1-CE2 4.11Å; L1061-F1202 HydrophobicContact CD1-CZ 4.19Å; I1062-F1202 HydrophobicContact CG1-CD1 4.38Å; I1062-F1202 HydrophobicContact CG1-CE1 3.75Å; V1068-F1202 HydrophobicContact CG1-CB 4.14Å; V1068-F1202 HydrophobicContact CG2-CB 3.95Å; I1071-F1202 HydrophobicContact CG2-CD2 3.9Å; I1071-F1202 HydrophobicContact CG2-CE2 3.79Å; I1071-F1202 HydrophobicContact CG2-CZ 4.33Å; A1132-F1202 CarbonylContact O-C 3.54Å; A1132-F1202 WeakPolarHBondContact O-CA 3.31Å; Q1133-F1202 HydrophobicContact CB-CD1 3.95Å; Q1133-F1202 HydrophobicContact CB-CE1 3.96Å; Q1133-F1202 HydrophobicContact CG-CD1 4.33Å; Q1133-F1202 HydrophobicContact CG-CE1 4.11Å |
| 1203 | I | 83.2 | Confident | 60.1 | Low | 8 Ų | 8 | 72.8 Ų | 72.8 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 153.5 | 174.1 | 64 | 170.9 | 0 | 0 | 0 | 110.7 | V1068 C1131 A1132 V1134 V1144 L1154 Y1201 C1205 | V1068-I1203 WeakPolarHBondContact CG2-O 3.45Å; C1131-I1203 CarbonylContact C-O 3.56Å; C1131-I1203 WeakPolarHBondContact CA-O 3.45Å; A1132-I1203 HydrophobicContact CB-CG1 4.03Å; A1132-I1203 PolarHBondContact N-O 3.45Å; A1132-I1203 PolarHBondContact O-N 3.47Å; V1134-I1203 HydrophobicContact CG2-CG2 4.19Å; V1144-I1203 HydrophobicContact CG1-CD1 4.07Å; L1154-I1203 HydrophobicContact CD2-CD1 3.76Å; Y1201-I1203 HydrophobicContact CD1-CG2 3.98Å; Y1201-I1203 HydrophobicContact CE1-CG2 4.33Å; I1203-C1205 HydrophobicContact CD1-CB 4.25Å |
| 1204 | T | 84 | Confident | 60.4 | Low | 43 Ų | 43 | 70.9 Ų | 70.9 | 26% | 0.264 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.4 | 168.1 | -53.1 | 0 | 0 | 0 | 0 | 107 | V1068 I1129 N1236 | V1068-T1204 WeakPolarHBondContact CG2-OG1 3.31Å; I1129-T1204 HydrophobicContact CG2-CG2 3.68Å; T1204-N1236 PolarHBondContact O-OD1 2.88Å |
| 1205 | C | 80.3 | Confident | 60.4 | Low | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 156.3 | -173.4 | 52.7 | 0 | 0 | 0 | 0 | 111.8 | V1130 A1132 I1203 V1234 S1235 | V1130-C1205 PolarHBondContact N-O 3.49Å; V1130-C1205 PolarHBondContact O-N 3.43Å; A1132-C1205 WeakPolarHBondContact CB-SG 3.49Å; I1203-C1205 HydrophobicContact CD1-CB 4.25Å; C1205-V1234 HydrophobicContact CB-CB 4.38Å; C1205-V1234 HydrophobicContact CB-CG1 3.81Å; C1205-V1234 VanDerWaalsContact SG-CG1 3.51Å; C1205-S1235 WeakPolarHBondContact CA-O 3.24Å; C1205-S1235 WeakPolarHBondContact CB-O 3.33Å |
| 1206 | R | 81.5 | Confident | 60.5 | Low | 69 Ų | 69 | 74.3 Ų | 74.3 | 26% | 0.26 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.8 | 177.1 | -162.3 | 172.5 | -168.5 | 174.3 | 0.5 | 109.4 | G1127 E1128 I1129 V1208 V1234 S1235 L1240 L1241 D1243 | G1127-R1206 PolarHBondContact O-NE 2.86Å; G1127-R1206 PolarHBondContact O-NH2 3.43Å; E1128-R1206 WeakPolarHBondContact O-CA 3.43Å; I1129-R1206 HydrophobicContact CG1-CB 4.46Å; I1129-R1206 HydrophobicContact CG1-CG 4.16Å; R1206-V1208 PolarHBondContact O-N 3.06Å; R1206-V1234 WeakPolarHBondContact O-CA 3.44Å; R1206-V1234 WeakPolarHBondContact O-CG1 3.42Å; R1206-S1235 PolarHBondContact N-O 3.38Å; R1206-S1235 PolarHBondContact O-N 2.82Å; R1206-L1240 WeakPolarHBondContact CD-O 3.49Å; R1206-L1240 PolarHBondContact NH1-O 3.07Å; R1206-L1241 HydrophobicContact CB-CD2 3.99Å; R1206-D1243 PolarHBondContact NH1-O 3.24Å; R1206-D1243 VanDerWaalsContact NH1-O 3.13Å |
| 1207 | I | 82 | Confident | 60 | Low | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.015 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 127.2 | 174.5 | -60.9 | -179.7 | 0 | 0 | 0 | 108.9 | V1124 V1126 G1127 E1128 L1146 Y1232 V1234 | V1124-I1207 HydrophobicContact CB-CD1 3.56Å; V1124-I1207 HydrophobicContact CG1-CD1 3.57Å; V1124-I1207 HydrophobicContact CG2-CD1 4.41Å; V1126-I1207 HydrophobicContact CB-CG2 4.32Å; V1126-I1207 HydrophobicContact CG2-CG2 4.04Å; G1127-I1207 PolarHBondContact N-O 2.87Å; E1128-I1207 PolarHBondContact O-N 2.94Å; E1128-I1207 VanDerWaalsContact O-N 3.12Å; L1146-I1207 HydrophobicContact CD1-CD1 4.31Å; I1207-Y1232 HydrophobicContact CD1-CD1 4.25Å; I1207-Y1232 HydrophobicContact CD1-CG 4.4Å; I1207-Y1232 HydrophobicContact CG2-CD1 3.72Å; I1207-Y1232 HydrophobicContact CG2-CG 4.32Å; I1207-V1234 HydrophobicContact CG1-CG1 4.03Å |
| 1208 | V | 75.8 | Confident | 59.2 | Low | 75 Ų | 75 | 77.7 Ų | 77.7 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -42.4 | -173.3 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | V1126 R1206 F1233 | V1126-V1208 WeakPolarHBondContact CG1-O 3.39Å; R1206-V1208 PolarHBondContact O-N 3.06Å; V1208-F1233 PolarHBondContact N-O 3.22Å |
| 1209 | D | 68.1 | Low | 58.3 | Low | 44 Ų | 44 | 78.5 Ų | 78.5 | 24% | 0.235 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 166.4 | -175.8 | -176.2 | 29.1 | 0 | 0 | 0 | 110.3 | Y1232 F1233 | D1209-Y1232 CarbonylContact O-C 3.6Å; D1209-Y1232 WeakPolarHBondContact O-CA 3.39Å; D1209-F1233 HydrophobicContact CB-CB 4.23Å; D1209-F1233 HydrophobicContact CB-CD2 4.15Å; D1209-F1233 PolarHBondContact O-N 3.32Å |
| 1210 | Q | 73.1 | Confident | 57.3 | Low | 92 Ų | 92 | 83.7 Ų | 83.7 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 123 | 174.4 | 61.3 | 179.7 | 3.4 | 0 | 0 | 110.4 | V1126 V1230 Y1232 | V1126-Q1210 HydrophobicContact CG2-CB 4.12Å; V1126-Q1210 HydrophobicContact CG2-CG 3.98Å; Q1210-V1230 HydrophobicContact CB-CG1 3.94Å; Q1210-Y1232 HydrophobicContact CB-CD1 3.92Å; Q1210-Y1232 HydrophobicContact CB-CE1 3.95Å |
| 1211 | C | 58.5 | Low | 55.7 | Low | 46 Ų | 46 | 88.1 Ų | 88.1 | 31% | 0.311 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125 | 179.3 | -160.9 | 0 | 0 | 0 | 0 | 111.1 | I1231 F1233 | C1211-I1231 PolarHBondContact N-O 2.79Å; C1211-I1231 PolarHBondContact O-N 3.43Å; C1211-I1231 VanDerWaalsContact O-N 3.09Å; C1211-F1233 HydrophobicContact CB-CE2 3.95Å |
| 1212 | Q | 56.9 | Low | 53.5 | Low | 145 Ų | 145 | 91.5 Ų | 91.5 | 68% | 0.678 | 50% | 0.498 | S | S | * | . | trans | -99.4 | 123.2 | 167.3 | -63.1 | -179.7 | 2.4 | 0 | 0 | 107.8 | V1230 | Q1212-V1230 HydrophobicContact CG-CG2 4.4Š| ||
| 1213 | S | 39.6 | Very low | 51 | Low | 87 Ų | 87 | 97.2 Ų | 97.2 | 61% | 0.608 | 53% | 0.529 | S | S | * | . | trans | -81.2 | 133 | -175.2 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1214 | V | 30.3 | Very low | 48.4 | Very low | 124 Ų | 124 | 102.4 Ų | 102.4 | 75% | 0.752 | 56% | 0.561 | S | S | * | * | trans | -118.7 | 143 | 171 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1215 | N | 29.3 | Very low | 45.7 | Very low | 155 Ų | 155 | 107.1 Ų | 107.1 | 83% | 0.829 | 59% | 0.585 | S | S | * | * | trans | -81.7 | 124.9 | -171.1 | -70.4 | -13.6 | 0 | 0 | 0 | 113.6 | ||||
| 1216 | T | 28.9 | Very low | 43.3 | Very low | 130 Ų | 130 | 111 Ų | 111 | 80% | 0.798 | 61% | 0.606 | S | S | * | * | trans | -153.6 | 109.9 | 153.1 | 47.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1217 | N | 27.2 | Very low | 41 | Very low | 156 Ų | 156 | 112.8 Ų | 112.8 | 83% | 0.834 | 63% | 0.625 | S | S | * | * | trans | 37.9 | 151.2 | 147 | -59.4 | -4.7 | 0 | 0 | 0 | 124.4 | ||||
| 1218 | S | 26.8 | Very low | 39.1 | Very low | 100 Ų | 100 | 120.2 Ų | 120.2 | 70% | 0.699 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 77.8 | 133.2 | 168.8 | 18.6 | 0 | 0 | 0 | 0 | 119.8 | D1220 | S1218-D1220 PolarHBondContact O-N 3.08Š|
| 1219 | D | 28.5 | Very low | 37.9 | Very low | 158 Ų | 158 | 121.5 Ų | 121.5 | 85% | 0.845 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 71.1 | -4.1 | 152.8 | -55.3 | -2.8 | 0 | 0 | 0 | 122.6 | ||
| 1220 | D | 30.2 | Very low | 37.8 | Very low | 165 Ų | 165 | 121.5 Ų | 121.5 | 88% | 0.882 | 67% | 0.667 | S | S | * | * | trans | -116.9 | 65.2 | 175.6 | -118.2 | -20.9 | 0 | 0 | 0 | 113 | S1218 F1222 | S1218-D1220 PolarHBondContact O-N 3.08Å; D1220-F1222 PolarHBondContact O-N 3.33Å | ||
| 1221 | I | 28.9 | Very low | 37.7 | Very low | 145 Ų | 145 | 118.9 Ų | 118.9 | 74% | 0.744 | 66% | 0.655 | S | S | * | * | trans | -87.2 | 94 | 178.4 | -56.6 | 176.5 | 0 | 0 | 0 | 110.7 | ||||
| 1222 | F | 28 | Very low | 38.7 | Very low | 157 Ų | 157 | 118.3 Ų | 118.3 | 69% | 0.689 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 169.1 | 74.3 | 138.3 | -88.9 | -61.3 | 0 | 0 | 0 | 112.8 | S1181 D1220 | S1181-F1222 VanDerWaalsContact CB-CB 3.42Å; S1181-F1222 WeakPolarHBondContact CB-O 3.46Å; S1181-F1222 WeakPolarHBondContact OG-CB 3.3Å; D1220-F1222 PolarHBondContact O-N 3.33Å |
| 1223 | D | 30.4 | Very low | 39.7 | Very low | 139 Ų | 139 | 115.1 Ų | 115.1 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | trans | -167.3 | 89.8 | 144.5 | -113.5 | -11.2 | 0 | 0 | 0 | 107.3 | ||||
| 1224 | T | 28.4 | Very low | 41.4 | Very low | 117 Ų | 117 | 111.3 Ų | 111.3 | 72% | 0.718 | 60% | 0.604 | S | S | * | * | trans | -97.1 | 143.9 | -167.5 | 42.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1225 | N | 28.1 | Very low | 43.5 | Very low | 142 Ų | 142 | 105.6 Ų | 105.6 | 76% | 0.759 | 57% | 0.57 | S | S | * | * | trans | 82.6 | 141.9 | 158.5 | -57 | -13 | 0 | 0 | 0 | 120.4 | ||||
| 1226 | D | 29.5 | Very low | 45.5 | Very low | 81 Ų | 81 | 99.5 Ų | 99.5 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | trans | 84.6 | 95.9 | 156.4 | -58.4 | -10.5 | 0 | 0 | 0 | 120.1 | K1103 R1104 | K1103-D1226 IonicContact NZ-OD2 2.76Å; K1103-D1226 PolarHBondContact NZ-OD2 2.91Å; R1104-D1226 PolarHBondContact NH2-O 3.17Å | ||
| 1227 | T | 33.5 | Very low | 47.1 | Very low | 108 Ų | 108 | 96.8 Ų | 96.8 | 66% | 0.663 | 51% | 0.514 | S | S | * | . | trans | 80.6 | 105.1 | 145.6 | 62.2 | 0 | 0 | 0 | 0 | 120.8 | R1104 E1229 | R1104-T1227 PolarHBondContact NH2-O 3.43Å; T1227-E1229 PolarHBondContact O-N 2.78Å | ||
| 1228 | N | 40.5 | Very low | 48.2 | Very low | 159 Ų | 159 | 92.4 Ų | 92.4 | 85% | 0.85 | 49% | 0.493 | S | S | * | . | trans | 31.6 | 52.3 | 146.1 | -62.7 | 12.8 | 0 | 0 | 0 | 118.8 | V1230 | N1228-V1230 PolarHBondContact O-N 2.81Š| ||
| 1229 | E | 51.5 | Low | 49.4 | Very low | 101 Ų | 101 | 98.5 Ų | 98.5 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | trans | -76.3 | 108.8 | 164.7 | -66.8 | -156.7 | 165.7 | 0 | 0 | 110.6 | R1104 T1227 I1231 | R1104-E1229 IonicContact CZ-OE1 3.65Å; R1104-E1229 IonicContact NH1-OE1 3Å; R1104-E1229 PolarHBondContact NH1-OE1 2.9Å; R1104-E1229 IonicContact NH2-OE1 3.24Å; T1227-E1229 PolarHBondContact O-N 2.78Å; E1229-I1231 PolarHBondContact O-N 3.11Å | ||
| 1230 | V | 66 | Low | 50.4 | Low | 44 Ų | 44 | 95 Ų | 95 | 27% | 0.267 | 48% | 0.481 | S | S | . | . | trans | -69 | 116.7 | 169.9 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | Q1210 Q1212 N1228 Y1232 | Q1210-V1230 HydrophobicContact CB-CG1 3.94Å; Q1212-V1230 HydrophobicContact CG-CG2 4.4Å; N1228-V1230 PolarHBondContact O-N 2.81Å; V1230-Y1232 HydrophobicContact CB-CE2 4.45Å; V1230-Y1232 HydrophobicContact CG1-CE1 4.17Å; V1230-Y1232 HydrophobicContact CG1-CE2 4.14Å | ||
| 1231 | I | 70.4 | Confident | 51.4 | Low | 37 Ų | 37 | 89 Ų | 89 | 19% | 0.19 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 115.4 | 179.8 | -57 | -175.7 | 0 | 0 | 0 | 108.8 | R1153 C1211 E1229 | R1153-I1231 HydrophobicContact CG-CG2 3.75Å; C1211-I1231 PolarHBondContact N-O 2.79Å; C1211-I1231 PolarHBondContact O-N 3.43Å; C1211-I1231 VanDerWaalsContact O-N 3.09Å; E1229-I1231 PolarHBondContact O-N 3.11Å |
| 1232 | Y | 79.4 | Confident | 52.1 | Low | 34 Ų | 34 | 91.4 Ų | 91.4 | 13% | 0.133 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 138.1 | 175.8 | -63.6 | -80.4 | 0 | 0 | 0 | 111 | L1146 A1150 S1151 G1152 R1153 I1207 D1209 Q1210 V1230 | L1146-Y1232 HydrophobicContact CD1-CD2 3.88Å; L1146-Y1232 HydrophobicContact CD1-CG 4.09Å; A1150-Y1232 HydrophobicContact CB-CD2 4.24Å; A1150-Y1232 HydrophobicContact CB-CE2 3.95Å; S1151-Y1232 WeakPolarHBondContact O-CD2 3.38Å; S1151-Y1232 PolarHBondContact O-N 2.95Å; S1151-Y1232 VanDerWaalsContact O-N 3.08Å; G1152-Y1232 CarbonylContact C-O 3.58Å; G1152-Y1232 WeakPolarHBondContact CA-O 3.36Å; R1153-Y1232 PolarHBondContact N-O 3.45Å; I1207-Y1232 HydrophobicContact CD1-CD1 4.25Å; I1207-Y1232 HydrophobicContact CD1-CG 4.4Å; I1207-Y1232 HydrophobicContact CG2-CD1 3.72Å; I1207-Y1232 HydrophobicContact CG2-CG 4.32Å; D1209-Y1232 CarbonylContact O-C 3.6Å; D1209-Y1232 WeakPolarHBondContact O-CA 3.39Å; Q1210-Y1232 HydrophobicContact CB-CD1 3.92Å; Q1210-Y1232 HydrophobicContact CB-CE1 3.95Å; V1230-Y1232 HydrophobicContact CB-CE2 4.45Å; V1230-Y1232 HydrophobicContact CG1-CE1 4.17Å; V1230-Y1232 HydrophobicContact CG1-CE2 4.14Å |
| 1233 | F | 77.6 | Confident | 52.3 | Low | 78 Ų | 78 | 89.2 Ų | 89.2 | 34% | 0.342 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 138.8 | 165 | -71.4 | -75 | 0 | 0 | 0 | 109.6 | R1153 V1208 D1209 C1211 | R1153-F1233 HydrophobicContact CB-CD1 4.07Å; R1153-F1233 HydrophobicContact CB-CE1 4.17Å; V1208-F1233 PolarHBondContact N-O 3.22Å; D1209-F1233 HydrophobicContact CB-CB 4.23Å; D1209-F1233 HydrophobicContact CB-CD2 4.15Å; D1209-F1233 PolarHBondContact O-N 3.32Å; C1211-F1233 HydrophobicContact CB-CE2 3.95Å |
| 1234 | V | 76.8 | Confident | 52.3 | Low | 7 Ų | 7 | 87.8 Ų | 87.8 | 4% | 0.042 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.6 | -168.8 | -127 | 0 | 0 | 0 | 0 | 111.1 | V1144 L1146 R1153 L1154 C1205 R1206 I1207 | V1144-V1234 HydrophobicContact CG2-CG2 3.74Å; L1146-V1234 HydrophobicContact CD2-CG1 4.38Å; R1153-V1234 PolarHBondContact O-N 2.79Å; L1154-V1234 WeakPolarHBondContact CD1-O 3.39Å; C1205-V1234 HydrophobicContact CB-CB 4.38Å; C1205-V1234 HydrophobicContact CB-CG1 3.81Å; C1205-V1234 VanDerWaalsContact SG-CG1 3.51Å; R1206-V1234 WeakPolarHBondContact O-CA 3.44Å; R1206-V1234 WeakPolarHBondContact O-CG1 3.42Å; I1207-V1234 HydrophobicContact CG1-CG1 4.03Å |
| 1235 | S | 72.9 | Confident | 52.4 | Low | 4 Ų | 4 | 88.9 Ų | 88.9 | 3% | 0.028 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 143.3 | -179.8 | 179.8 | 0 | 0 | 0 | 0 | 112.7 | D1158 C1205 R1206 K1237 | D1158-S1235 WeakPolarHBondContact OD2-CA 3.45Å; D1158-S1235 WeakPolarHBondContact OD2-CB 3.45Å; D1158-S1235 PolarHBondContact OD2-OG 2.84Å; C1205-S1235 WeakPolarHBondContact CA-O 3.24Å; C1205-S1235 WeakPolarHBondContact CB-O 3.33Å; R1206-S1235 PolarHBondContact N-O 3.38Å; R1206-S1235 PolarHBondContact O-N 2.82Å; S1235-K1237 PolarHBondContact OG-N 3.45Å; S1235-K1237 VanDerWaalsContact OG-N 3.13Å |
| 1236 | N | 71.7 | Confident | 52.5 | Low | 27 Ų | 27 | 90.7 Ų | 90.7 | 14% | 0.144 | 45% | 0.453 | C | S | . | . | trans | -110 | 7.8 | 173 | -168.1 | 25.3 | 0 | 0 | 0 | 112 | L1154 T1204 V1238 | L1154-N1236 HydrophobicContact CD1-CB 4.17Å; T1204-N1236 PolarHBondContact O-OD1 2.88Å; N1236-V1238 PolarHBondContact O-N 2.91Å | ||
| 1237 | K | 63.1 | Low | 52.3 | Low | 73 Ų | 73 | 92.2 Ų | 92.2 | 32% | 0.317 | 47% | 0.47 | S | S | . | . | trans | -72.3 | 116.5 | -179.5 | -80.3 | 175.9 | 174.3 | 148.5 | 0 | 110.4 | D1158 S1235 R1239 L1240 | D1158-K1237 VanDerWaalsContact OD1-CD 3.23Å; D1158-K1237 WeakPolarHBondContact OD1-CD 3.41Å; D1158-K1237 WeakPolarHBondContact OD1-CE 3.17Å; D1158-K1237 IonicContact OD1-NZ 3.92Å; D1158-K1237 PolarHBondContact OD1-NZ 3.04Å; S1235-K1237 PolarHBondContact OG-N 3.45Å; S1235-K1237 VanDerWaalsContact OG-N 3.13Å; K1237-R1239 PolarHBondContact O-N 3.38Å; K1237-L1240 PolarHBondContact O-N 2.84Å | ||
| 1238 | V | 50.8 | Low | 52.1 | Low | 64 Ų | 64 | 92.2 Ų | 92.2 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -27 | -176.6 | -178.7 | 0 | 0 | 0 | 0 | 113.8 | N1236 L1241 | N1236-V1238 PolarHBondContact O-N 2.91Å; V1238-L1241 PolarHBondContact O-N 3.45Å |
| 1239 | R | 50.9 | Low | 51.6 | Low | 228 Ų | 228 | 90.5 Ų | 90.5 | 86% | 0.86 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -32.9 | 174.7 | -69.3 | -176.4 | 178.1 | 175.8 | -1.9 | 113.6 | K1237 L1241 | K1237-R1239 PolarHBondContact O-N 3.38Å; R1239-L1241 VanDerWaalsContact C-N 3.33Å |
| 1240 | L | 50.5 | Low | 50.5 | Low | 85 Ų | 85 | 91 Ų | 91 | 45% | 0.445 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -14.4 | 176.1 | -68.1 | 171 | 0 | 0 | 0 | 112.9 | R1206 K1237 | R1206-L1240 WeakPolarHBondContact CD-O 3.49Å; R1206-L1240 PolarHBondContact NH1-O 3.07Å; K1237-L1240 PolarHBondContact O-N 2.84Å |
| 1241 | L | 50.9 | Low | 48.8 | Very low | 40 Ų | 40 | 96.6 Ų | 96.6 | 21% | 0.209 | 50% | 0.503 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 0 | -177.4 | -74.3 | 165.9 | 0 | 0 | 0 | 114.4 | I1129 R1206 V1238 R1239 | I1129-L1241 HydrophobicContact CD1-CD2 4.32Å; I1129-L1241 HydrophobicContact CG1-CD2 4.24Å; I1129-L1241 HydrophobicContact CG2-CD2 4.07Å; R1206-L1241 HydrophobicContact CB-CD2 3.99Å; V1238-L1241 PolarHBondContact O-N 3.45Å; R1239-L1241 VanDerWaalsContact C-N 3.33Å |
| 1242 | R | 42.4 | Very low | 46.9 | Very low | 194 Ų | 194 | 102.5 Ų | 102.5 | 73% | 0.732 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -26.8 | -172.8 | -80.1 | -170.6 | 173.9 | -161.3 | -2 | 116.7 | P1244 | R1242-P1244 WeakPolarHBondContact O-CD 3.45Š|
| 1243 | D | 32.8 | Very low | 44.5 | Very low | 112 Ų | 112 | 106.2 Ų | 106.2 | 60% | 0.599 | 56% | 0.56 | S | S | * | * | trans | -108.1 | 116.9 | -170.7 | -59.5 | -30.1 | 0 | 0 | 0 | 112.2 | R1206 | R1206-D1243 PolarHBondContact NH1-O 3.24Å; R1206-D1243 VanDerWaalsContact NH1-O 3.13Å | ||
| 1244 | P | 31.3 | Very low | 42.2 | Very low | 109 Ų | 109 | 108.8 Ų | 108.8 | 71% | 0.708 | 58% | 0.582 | S | S | * | * | trans | -99.2 | 109.6 | 158.2 | 33.8 | -24.8 | 0 | 0 | 0 | 109.3 | R1242 | R1242-P1244 WeakPolarHBondContact O-CD 3.45Š| ||
| 1245 | V | 29.9 | Very low | 39.8 | Very low | 139 Ų | 139 | 115.8 Ų | 115.8 | 84% | 0.842 | 62% | 0.619 | S | S | * | * | trans | -104.5 | 76.3 | 170.2 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1246 | E | 29.8 | Very low | 37.7 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 85% | 0.846 | 66% | 0.66 | S | S | * | * | trans | -73.8 | 161.4 | 157.9 | -73.1 | -167.7 | 145.4 | 0 | 0 | 110 | ||||
| 1247 | S | 25.5 | Very low | 35.6 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -71.5 | 139.4 | -168.3 | 54.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1248 | S | 29.5 | Very low | 33.8 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | trans | 135.1 | 123.3 | 144.9 | 66.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1249 | T | 29.4 | Very low | 32.9 | Very low | 124 Ų | 124 | 135 Ų | 135 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | trans | 57.8 | 110.2 | 147.8 | 48.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1250 | V | 29.7 | Very low | 31.9 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 68% | 0.679 | 70% | 0.7 | S | S | * | * | 88.1 | 121.1 | 123.7 | 175.3 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1251 | Q | 29.4 | Very low | 31.3 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | 69.4 | 142.5 | 156.7 | -74.6 | 162.1 | 6.9 | 0 | 0 | 119 | ||||
| 1252 | Q | 30.8 | Very low | 30.6 | Very low | 160 Ų | 160 | 132 Ų | 132 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | cis | -165.2 | 141.1 | -19.1 | -130.8 | 171.4 | 7.2 | 0 | 0 | 110.8 | ||||
| 1253 | S | 29.1 | Very low | 30.4 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | trans | 66.4 | 149.7 | 166.2 | 84.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1254 | V | 30 | Very low | 30.8 | Very low | 133 Ų | 133 | 120.8 Ų | 120.8 | 81% | 0.806 | 67% | 0.674 | S | S | * | * | cis | -124.2 | 140.6 | -5.9 | 174.9 | 0 | 0 | 0 | 0 | 108.8 | K1256 | V1254-K1256 PolarHBondContact O-N 3.45Š| ||
| 1255 | N | 26.3 | Very low | 31.5 | Very low | 153 Ų | 153 | 117 Ų | 117 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | trans | -60.4 | 118.6 | -176.7 | -57.5 | -15.5 | 0 | 0 | 0 | 113 | ||||
| 1256 | K | 27 | Very low | 32.3 | Very low | 201 Ų | 201 | 111.1 Ų | 111.1 | 87% | 0.874 | 62% | 0.616 | S | S | * | * | trans | -118.3 | 123.5 | 144 | -78.7 | -167.1 | 171.7 | -167.8 | 0 | 108 | V1254 | V1254-K1256 PolarHBondContact O-N 3.45Š| ||
| 1257 | L | 27.6 | Very low | 33.4 | Very low | 131 Ų | 131 | 106.9 Ų | 106.9 | 69% | 0.686 | 60% | 0.595 | S | S | * | * | trans | -63.2 | 160.1 | 164.6 | -76.3 | 76.5 | 0 | 0 | 0 | 108.7 | ||||
| 1258 | P | 26.6 | Very low | 34.7 | Very low | 88 Ų | 88 | 103.7 Ų | 103.7 | 57% | 0.571 | 57% | 0.571 | S | S | * | * | trans | -49.2 | 142.4 | 156.4 | -22.6 | 32.8 | 0 | 0 | 0 | 110.2 | F1260 | P1258-F1260 HydrophobicContact CB-CD2 4.12Å; P1258-F1260 HydrophobicContact CB-CE1 4.35Å; P1258-F1260 HydrophobicContact CB-CE2 3.82Å; P1258-F1260 HydrophobicContact CB-CZ 3.95Å; P1258-F1260 HydrophobicContact CG-CE2 3.81Å; P1258-F1260 HydrophobicContact CG-CZ 3.88Å; P1258-F1260 WeakPolarHBondContact O-CD2 3.18Å; P1258-F1260 PolarHBondContact O-N 2.97Å | ||
| 1259 | D | 31 | Very low | 35.7 | Very low | 151 Ų | 151 | 104.2 Ų | 104.2 | 81% | 0.807 | 56% | 0.559 | S | S | * | * | trans | -70.1 | 76.5 | 174.4 | -78 | -42.4 | 0 | 0 | 0 | 110.1 | D1261 | D1259-D1261 PolarHBondContact O-N 3.16Š| ||
| 1260 | F | 31.4 | Very low | 36.8 | Very low | 111 Ų | 111 | 101.6 Ų | 101.6 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -2.7 | 172.3 | -65.9 | -69.8 | 0 | 0 | 0 | 113 | P1258 V1262 P1289 | P1258-F1260 HydrophobicContact CB-CD2 4.12Å; P1258-F1260 HydrophobicContact CB-CE1 4.35Å; P1258-F1260 HydrophobicContact CB-CE2 3.82Å; P1258-F1260 HydrophobicContact CB-CZ 3.95Å; P1258-F1260 HydrophobicContact CG-CE2 3.81Å; P1258-F1260 HydrophobicContact CG-CZ 3.88Å; P1258-F1260 WeakPolarHBondContact O-CD2 3.18Å; P1258-F1260 PolarHBondContact O-N 2.97Å; F1260-V1262 PolarHBondContact O-N 3.05Å; F1260-P1289 HydrophobicContact CD1-CB 3.78Å; F1260-P1289 HydrophobicContact CD1-CG 4.3Å; F1260-P1289 HydrophobicContact CE1-CB 3.91Å |
| 1261 | D | 36.8 | Very low | 37.8 | Very low | 109 Ų | 109 | 99.4 Ų | 99.4 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 9.3 | -171.1 | -100.6 | -42.7 | 0 | 0 | 0 | 115.2 | D1259 P1263 K1365 | D1259-D1261 PolarHBondContact O-N 3.16Å; D1261-P1263 WeakPolarHBondContact O-CD 3.46Å; D1261-K1365 WeakPolarHBondContact OD1-CE 3.46Å; D1261-K1365 IonicContact OD1-NZ 2.88Å; D1261-K1365 PolarHBondContact OD1-NZ 2.84Å |
| 1262 | V | 37.5 | Very low | 38.1 | Very low | 71 Ų | 71 | 101 Ų | 101 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | trans | -100.5 | 97.2 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | F1260 V1264 | F1260-V1262 PolarHBondContact O-N 3.05Å; V1262-V1264 PolarHBondContact O-N 3.14Å | ||
| 1263 | P | 37.3 | Very low | 38.5 | Very low | 46 Ų | 46 | 98.5 Ų | 98.5 | 30% | 0.299 | 53% | 0.526 | S | S | . | . | trans | -63 | 132.3 | 173.8 | 26 | -33.4 | 0 | 0 | 0 | 110.2 | D1261 D1265 | D1261-P1263 WeakPolarHBondContact O-CD 3.46Å; P1263-D1265 PolarHBondContact O-N 3.3Å | ||
| 1264 | V | 42 | Very low | 39.2 | Very low | 24 Ų | 24 | 100 Ų | 100 | 15% | 0.145 | 52% | 0.521 | C | S | . | . | trans | -89.7 | 96.6 | 169 | -169.5 | 0 | 0 | 0 | 0 | 106.5 | V1262 G1266 L1280 D1285 | V1262-V1264 PolarHBondContact O-N 3.14Å; V1264-G1266 PolarHBondContact O-N 3.12Å; V1264-L1280 HydrophobicContact CG1-CB 3.81Å; V1264-L1280 HydrophobicContact CG1-CD2 3.92Å; V1264-L1280 HydrophobicContact CG1-CG 4.28Å; V1264-D1285 HydrophobicContact CG1-CB 4.34Å; V1264-D1285 HydrophobicContact CG2-CB 4.32Å; V1264-D1285 WeakPolarHBondContact CG2-OD2 3.28Å | ||
| 1265 | D | 44.8 | Very low | 40.3 | Very low | 31 Ų | 31 | 94 Ų | 94 | 17% | 0.166 | 49% | 0.486 | C | S | . | . | trans | -59.3 | 134.5 | 175.7 | -41.8 | -40.7 | 0 | 0 | 0 | 107.9 | P1263 S1281 R1366 | P1263-D1265 PolarHBondContact O-N 3.3Å; D1265-S1281 WeakPolarHBondContact CB-OG 3.22Å; D1265-S1281 PolarHBondContact N-OG 2.92Å; D1265-S1281 WeakPolarHBondContact O-CB 3.48Å; D1265-S1281 PolarHBondContact O-N 2.91Å; D1265-S1281 PolarHBondContact O-OG 3.28Å; D1265-R1366 VanDerWaalsContact CG-CD 3.43Å; D1265-R1366 WeakPolarHBondContact OD1-CB 3.4Å; D1265-R1366 WeakPolarHBondContact OD1-CD 3.39Å; D1265-R1366 WeakPolarHBondContact OD2-CD 3.41Å; D1265-R1366 IonicContact OD2-CZ 2.59Å; D1265-R1366 IonicContact OD2-NE 3.91Å; D1265-R1366 IonicContact OD2-NH1 3.86Å; D1265-R1366 PolarHBondContact OD2-NH1 2.7Å | ||
| 1266 | G | 47.1 | Very low | 41.6 | Very low | 15 Ų | 15 | 88.3 Ų | 88.3 | 16% | 0.155 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174 | 169.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | V1264 C1279 L1368 | V1264-G1266 PolarHBondContact O-N 3.12Å; G1266-C1279 CarbonylContact C-O 3.49Å; G1266-C1279 WeakPolarHBondContact CA-O 3.4Å; G1266-L1368 WeakPolarHBondContact O-CG 3.44Å |
| 1267 | F | 53.5 | Low | 43.3 | Very low | 92 Ų | 92 | 79.5 Ų | 79.5 | 40% | 0.404 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 152.4 | 174.6 | 60.1 | -102.7 | 0 | 0 | 0 | 111.1 | L1278 C1279 | F1267-L1278 CarbonylContact O-C 3.57Å; F1267-L1278 WeakPolarHBondContact O-CA 3.4Å; F1267-C1279 HydrophobicContact CD1-CB 3.68Å; F1267-C1279 HydrophobicContact CD2-CB 3.51Å; F1267-C1279 HydrophobicContact CE1-CB 3.43Å; F1267-C1279 VanDerWaalsContact CE1-CB 3.43Å; F1267-C1279 WeakPolarHBondContact CE1-SG 3.12Å; F1267-C1279 HydrophobicContact CE2-CB 3.24Å; F1267-C1279 HydrophobicContact CG-CB 3.74Å; F1267-C1279 HydrophobicContact CZ-CB 3.21Å; F1267-C1279 WeakPolarHBondContact CZ-SG 3.35Å; F1267-C1279 PolarHBondContact N-O 3.29Å; F1267-C1279 PolarHBondContact O-N 2.92Å |
| 1268 | V | 51.3 | Low | 45 | Very low | 46 Ų | 46 | 74.3 Ų | 74.3 | 28% | 0.279 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120.7 | 174.9 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | L1276 V1277 L1278 F1370 | V1268-L1276 HydrophobicContact CG1-CD2 3.85Å; V1268-V1277 CarbonylContact C-O 3.59Å; V1268-V1277 WeakPolarHBondContact CA-O 3.41Å; V1268-L1278 HydrophobicContact CG2-CD2 3.71Å; V1268-L1278 HydrophobicContact CG2-CG 4.34Å; V1268-F1370 HydrophobicContact CB-CE1 4.39Å |
| 1269 | K | 51 | Low | 46.7 | Very low | 118 Ų | 118 | 70.1 Ų | 70.1 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.8 | 170.3 | -170.2 | 167.6 | -174.7 | 171.6 | 0 | 109.2 | V1271 V1277 | K1269-V1271 PolarHBondContact O-N 2.91Å; K1269-V1277 PolarHBondContact N-O 2.97Å; K1269-V1277 PolarHBondContact O-N 3.43Å |
| 1270 | T | 52.2 | Low | 48.1 | Very low | 68 Ų | 68 | 63.1 Ų | 63.1 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 124.9 | 168.3 | 39.7 | 0 | 0 | 0 | 0 | 109.3 | L1276 M1343 V1347 | T1270-L1276 HydrophobicContact CG2-CD2 3.83Å; T1270-M1343 HydrophobicContact CG2-CE 4.03Å; T1270-V1347 HydrophobicContact CG2-CG2 4.36Å |
| 1271 | V | 52.1 | Low | 49.3 | Very low | 66 Ų | 66 | 59.5 Ų | 59.5 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 99.3 | 169.6 | 175.7 | 0 | 0 | 0 | 0 | 106.6 | K1269 H1274 G1275 V1277 | K1269-V1271 PolarHBondContact O-N 2.91Å; V1271-H1274 PolarHBondContact O-N 3.05Å; V1271-H1274 VanDerWaalsContact O-N 3.15Å; V1271-G1275 PolarHBondContact N-O 3.26Å; V1271-G1275 PolarHBondContact O-N 3.22Å; V1271-V1277 HydrophobicContact CG2-CB 4.04Å; V1271-V1277 HydrophobicContact CG2-CG2 3.46Å; V1271-V1277 VanDerWaalsContact CG2-CG2 3.46Å |
| 1272 | R | 34.6 | Very low | 50.2 | Low | 195 Ų | 195 | 58.8 Ų | 58.8 | 74% | 0.736 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 135.9 | 171.1 | -77.9 | -177.4 | 167.7 | 126.4 | -9.5 | 108.7 | E1340 | R1272-E1340 IonicContact CZ-OE1 2.69Å; R1272-E1340 IonicContact NE-OE1 3.87Å; R1272-E1340 PolarHBondContact NE-OE1 3.13Å; R1272-E1340 IonicContact NH2-OE1 3.42Å; R1272-E1340 PolarHBondContact NH2-OE1 2.9Å; R1272-E1340 IonicContact NH2-OE2 2.68Å |
| 1273 | P | 39 | Very low | 51 | Low | 107 Ų | 107 | 57.5 Ų | 57.5 | 70% | 0.695 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93.2 | -18.1 | 3.1 | 32.4 | -29.5 | 0 | 0 | 0 | 115.4 | ||
| 1274 | H | 44.2 | Very low | 51.6 | Low | 144 Ų | 144 | 58.7 Ų | 58.7 | 67% | 0.667 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.1 | 8.7 | -161.1 | -59.4 | -38.5 | 0 | 0 | 0 | 117 | V1271 | V1271-H1274 PolarHBondContact O-N 3.05Å; V1271-H1274 VanDerWaalsContact O-N 3.15Å |
| 1275 | G | 52.8 | Low | 52.2 | Low | 7 Ų | 7 | 59.1 Ų | 59.1 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1271 | V1271-G1275 PolarHBondContact N-O 3.26Å; V1271-G1275 PolarHBondContact O-N 3.22Å |
| 1276 | L | 55 | Low | 52.7 | Low | 33 Ų | 33 | 58.9 Ų | 58.9 | 17% | 0.173 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 108.1 | 159.9 | -81 | 169.4 | 0 | 0 | 0 | 108.5 | V1268 T1270 L1327 | V1268-L1276 HydrophobicContact CG1-CD2 3.85Å; T1270-L1276 HydrophobicContact CG2-CD2 3.83Å; L1276-L1327 HydrophobicContact CB-CB 4.06Å; L1276-L1327 HydrophobicContact CB-CD2 4.48Å; L1276-L1327 HydrophobicContact CD1-CD2 4.06Å; L1276-L1327 PolarHBondContact O-N 3.3Å |
| 1277 | V | 62.5 | Low | 53.2 | Low | 16 Ų | 16 | 61.8 Ų | 61.8 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 110.4 | 174.9 | 167.9 | 0 | 0 | 0 | 0 | 109.4 | V1268 K1269 V1271 V1324 G1325 | V1268-V1277 CarbonylContact C-O 3.59Å; V1268-V1277 WeakPolarHBondContact CA-O 3.41Å; K1269-V1277 PolarHBondContact N-O 2.97Å; K1269-V1277 PolarHBondContact O-N 3.43Å; V1271-V1277 HydrophobicContact CG2-CB 4.04Å; V1271-V1277 HydrophobicContact CG2-CG2 3.46Å; V1271-V1277 VanDerWaalsContact CG2-CG2 3.46Å; V1277-V1324 HydrophobicContact CG1-CG1 3.39Å; V1277-G1325 CarbonylContact C-O 3.56Å; V1277-G1325 VanDerWaalsContact CA-O 3.3Å; V1277-G1325 WeakPolarHBondContact CA-O 3.28Å |
| 1278 | L | 62.4 | Low | 53.3 | Low | 23 Ų | 23 | 58.4 Ų | 58.4 | 12% | 0.12 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 146.1 | 167.6 | -82.3 | 145.3 | 0 | 0 | 0 | 109.4 | F1267 V1268 L1280 V1313 V1324 G1325 L1327 | F1267-L1278 CarbonylContact O-C 3.57Å; F1267-L1278 WeakPolarHBondContact O-CA 3.4Å; V1268-L1278 HydrophobicContact CG2-CD2 3.71Å; V1268-L1278 HydrophobicContact CG2-CG 4.34Å; L1278-L1280 HydrophobicContact CB-CD2 4.34Å; L1278-L1280 HydrophobicContact CD2-CD2 4.24Å; L1278-V1313 HydrophobicContact CB-CG1 4.29Å; L1278-V1313 HydrophobicContact CB-CG2 4.4Å; L1278-V1313 HydrophobicContact CD1-CG2 3.75Å; L1278-V1324 CarbonylContact O-C 3.57Å; L1278-V1324 WeakPolarHBondContact O-CA 2.84Å; L1278-G1325 PolarHBondContact N-O 3.01Å; L1278-G1325 PolarHBondContact O-N 2.62Å; L1278-L1327 HydrophobicContact CD1-CB 4.4Å; L1278-L1327 HydrophobicContact CD1-CD1 3.82Å |
| 1279 | C | 62.4 | Low | 53.2 | Low | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 122.7 | 166.5 | -172.8 | 0 | 0 | 0 | 0 | 110 | G1266 F1267 H1322 L1323 V1324 | G1266-C1279 CarbonylContact C-O 3.49Å; G1266-C1279 WeakPolarHBondContact CA-O 3.4Å; F1267-C1279 HydrophobicContact CD1-CB 3.68Å; F1267-C1279 HydrophobicContact CD2-CB 3.51Å; F1267-C1279 HydrophobicContact CE1-CB 3.43Å; F1267-C1279 VanDerWaalsContact CE1-CB 3.43Å; F1267-C1279 WeakPolarHBondContact CE1-SG 3.12Å; F1267-C1279 HydrophobicContact CE2-CB 3.24Å; F1267-C1279 HydrophobicContact CG-CB 3.74Å; F1267-C1279 HydrophobicContact CZ-CB 3.21Å; F1267-C1279 WeakPolarHBondContact CZ-SG 3.35Å; F1267-C1279 PolarHBondContact N-O 3.29Å; F1267-C1279 PolarHBondContact O-N 2.92Å; C1279-H1322 WeakPolarHBondContact SG-CB 3.5Å; C1279-L1323 CarbonylContact C-O 3.56Å; C1279-L1323 VanDerWaalsContact CA-O 3.28Å; C1279-L1323 WeakPolarHBondContact CA-O 3.36Å; C1279-V1324 HydrophobicContact CB-CG2 4.11Å; C1279-V1324 WeakPolarHBondContact SG-CG2 3.4Å |
| 1280 | L | 60 | Low | 53.5 | Low | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.1 | -168.8 | -49.7 | 179.7 | 0 | 0 | 0 | 110.3 | V1264 L1278 R1282 D1285 V1288 V1313 H1322 L1323 | V1264-L1280 HydrophobicContact CG1-CB 3.81Å; V1264-L1280 HydrophobicContact CG1-CD2 3.92Å; V1264-L1280 HydrophobicContact CG1-CG 4.28Å; L1278-L1280 HydrophobicContact CB-CD2 4.34Å; L1278-L1280 HydrophobicContact CD2-CD2 4.24Å; L1280-R1282 PolarHBondContact O-N 2.88Å; L1280-D1285 HydrophobicContact CD1-CB 4.26Å; L1280-D1285 WeakPolarHBondContact CD1-O 3.45Å; L1280-V1288 HydrophobicContact CD1-CG2 3.64Å; L1280-V1288 HydrophobicContact CD2-CG2 4.04Å; L1280-V1313 HydrophobicContact CD1-CG2 4.39Å; L1280-H1322 CarbonylContact O-C 3.58Å; L1280-H1322 WeakPolarHBondContact O-CA 3.44Å; L1280-L1323 HydrophobicContact CB-CB 4.46Å; L1280-L1323 PolarHBondContact N-O 3.1Å; L1280-L1323 PolarHBondContact O-N 3.28Å |
| 1281 | S | 57.6 | Low | 53.5 | Low | 35 Ų | 35 | 53.6 Ų | 53.6 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -61.3 | -1 | 173.2 | 58.4 | 0 | 0 | 0 | 0 | 115.4 | D1265 H1322 | D1265-S1281 WeakPolarHBondContact CB-OG 3.22Å; D1265-S1281 PolarHBondContact N-OG 2.92Å; D1265-S1281 WeakPolarHBondContact O-CB 3.48Å; D1265-S1281 PolarHBondContact O-N 2.91Å; D1265-S1281 PolarHBondContact O-OG 3.28Å; S1281-H1322 WeakPolarHBondContact CA-ND1 3.31Å |
| 1282 | R | 54.9 | Low | 53.6 | Low | 93 Ų | 93 | 55.3 Ų | 55.3 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | trans | -135.5 | 117.7 | -178.3 | -66 | 170.7 | -176.5 | -123.4 | 9.1 | 108.4 | L1280 T1284 D1285 | L1280-R1282 PolarHBondContact O-N 2.88Å; R1282-T1284 PolarHBondContact O-N 3.37Å; R1282-D1285 HydrophobicContact CB-CB 4.41Å; R1282-D1285 VanDerWaalsContact CB-OD2 3.26Å; R1282-D1285 WeakPolarHBondContact CB-OD2 3.46Å; R1282-D1285 WeakPolarHBondContact CD-OD2 3.19Å; R1282-D1285 PolarHBondContact O-N 3.23Å | ||
| 1283 | T | 54.6 | Low | 54.9 | Low | 45 Ų | 45 | 47.5 Ų | 47.5 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.3 | 176.4 | 55 | 0 | 0 | 0 | 0 | 113.3 | T1157 L1318 L1323 | T1157-T1283 WeakPolarHBondContact CB-O 3.2Å; T1157-T1283 WeakPolarHBondContact CG2-O 3.3Å; T1157-T1283 PolarHBondContact OG1-O 3.31Å; T1283-L1318 HydrophobicContact CG2-CD1 3.89Å; T1283-L1318 HydrophobicContact CG2-CD2 3.85Å; T1283-L1318 HydrophobicContact CG2-CG 4.22Å; T1283-L1323 HydrophobicContact CG2-CB 4.35Å |
| 1284 | T | 50.4 | Low | 55.8 | Low | 70 Ų | 70 | 43.6 Ų | 43.6 | 43% | 0.429 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -16.2 | -178.7 | 45.6 | 0 | 0 | 0 | 0 | 115.2 | R1282 I1286 | R1282-T1284 PolarHBondContact O-N 3.37Å; T1284-I1286 PolarHBondContact O-N 2.79Å |
| 1285 | D | 54.3 | Low | 56.5 | Low | 33 Ų | 33 | 40.2 Ų | 40.2 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | trans | -106.1 | 49.2 | -153.8 | -60.9 | -2.4 | 0 | 0 | 0 | 112.9 | V1264 L1280 R1282 L1287 V1288 | V1264-D1285 HydrophobicContact CG1-CB 4.34Å; V1264-D1285 HydrophobicContact CG2-CB 4.32Å; V1264-D1285 WeakPolarHBondContact CG2-OD2 3.28Å; L1280-D1285 HydrophobicContact CD1-CB 4.26Å; L1280-D1285 WeakPolarHBondContact CD1-O 3.45Å; R1282-D1285 HydrophobicContact CB-CB 4.41Å; R1282-D1285 VanDerWaalsContact CB-OD2 3.26Å; R1282-D1285 WeakPolarHBondContact CB-OD2 3.46Å; R1282-D1285 WeakPolarHBondContact CD-OD2 3.19Å; R1282-D1285 PolarHBondContact O-N 3.23Å; D1285-L1287 PolarHBondContact O-N 3.27Å; D1285-L1287 VanDerWaalsContact O-N 3.14Å; D1285-V1288 WeakPolarHBondContact O-CG2 3.36Å | ||
| 1286 | I | 55.4 | Low | 56.9 | Low | 26 Ų | 26 | 45 Ų | 45 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -53.8 | -32 | 177.6 | -52.8 | 171.1 | 0 | 0 | 0 | 112.4 | H1155 T1284 L1312 V1313 | H1155-I1286 HydrophobicContact CB-CD1 3.62Å; H1155-I1286 WeakPolarHBondContact ND1-CD1 3.37Å; T1284-I1286 PolarHBondContact O-N 2.79Å; I1286-L1312 HydrophobicContact CG2-CD1 4.05Å; I1286-V1313 PolarHBondContact O-N 3.39Å |
| 1287 | L | 56.6 | Low | 57 | Low | 77 Ų | 77 | 48.4 Ų | 48.4 | 40% | 0.403 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 96.2 | 178 | -70.9 | 172.5 | 0 | 0 | 0 | 109 | D1285 P1289 A1307 H1310 L1311 L1312 | D1285-L1287 PolarHBondContact O-N 3.27Å; D1285-L1287 VanDerWaalsContact O-N 3.14Å; L1287-P1289 WeakPolarHBondContact O-CD 3.33Å; L1287-A1307 HydrophobicContact CD2-CB 3.71Å; L1287-H1310 HydrophobicContact CB-CB 3.98Å; L1287-H1310 HydrophobicContact CD2-CB 3.91Å; L1287-H1310 HydrophobicContact CG-CB 4.47Å; L1287-L1311 WeakPolarHBondContact CA-O 3.39Å; L1287-L1312 HydrophobicContact CD2-CD1 3.87Å |
| 1288 | V | 55.5 | Low | 56.8 | Low | 21 Ų | 21 | 48.4 Ų | 48.4 | 13% | 0.127 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 115.5 | -179.6 | -176.1 | 0 | 0 | 0 | 0 | 109 | L1280 D1285 H1310 L1311 V1313 | L1280-V1288 HydrophobicContact CD1-CG2 3.64Å; L1280-V1288 HydrophobicContact CD2-CG2 4.04Å; D1285-V1288 WeakPolarHBondContact O-CG2 3.36Å; V1288-H1310 WeakPolarHBondContact O-CA 3.43Å; V1288-L1311 HydrophobicContact CB-CB 4.23Å; V1288-L1311 PolarHBondContact N-O 3.36Å; V1288-L1311 PolarHBondContact O-N 3.37Å; V1288-V1313 HydrophobicContact CG2-CG2 3.9Å |
| 1289 | P | 50.8 | Low | 56.8 | Low | 52 Ų | 52 | 50.5 Ų | 50.5 | 34% | 0.338 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 145.5 | 177.1 | 30.5 | -34.5 | 0 | 0 | 0 | 111.2 | F1260 L1287 | F1260-P1289 HydrophobicContact CD1-CB 3.78Å; F1260-P1289 HydrophobicContact CD1-CG 4.3Å; F1260-P1289 HydrophobicContact CE1-CB 3.91Å; L1287-P1289 WeakPolarHBondContact O-CD 3.33Å |
| 1290 | F | 55.3 | Low | 56.7 | Low | 19 Ų | 19 | 56.3 Ų | 56.3 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | trans | -132.8 | 149.5 | 178 | 59.3 | -82.4 | 0 | 0 | 0 | 111.8 | L1294 K1295 F1305 D1309 L1311 | F1290-L1294 HydrophobicContact CB-CD2 4.04Å; F1290-K1295 HydrophobicContact CD2-CB 4.15Å; F1290-K1295 HydrophobicContact CE2-CB 3.56Å; F1290-K1295 HydrophobicContact CE2-CD 4.28Å; F1290-K1295 HydrophobicContact CE2-CG 3.81Å; F1290-K1295 HydrophobicContact CZ-CG 4.44Å; F1290-F1305 HydrophobicContact CE1-CD2 4.23Å; F1290-F1305 HydrophobicContact CE1-CE2 4.4Å; F1290-F1305 HydrophobicContact CE1-CG 4.31Å; F1290-F1305 HydrophobicContact CE2-CD2 4.13Å; F1290-F1305 AromaticContact CE2-CE2 3.69Å; F1290-F1305 HydrophobicContact CE2-CE2 3.69Å; F1290-F1305 HydrophobicContact CE2-CZ 4.13Å; F1290-F1305 HydrophobicContact CZ-CD1 4.44Å; F1290-F1305 AromaticContact CZ-CD2 3.43Å; F1290-F1305 HydrophobicContact CZ-CD2 3.43Å; F1290-F1305 VanDerWaalsContact CZ-CD2 3.43Å; F1290-F1305 HydrophobicContact CZ-CE1 4.46Å; F1290-F1305 AromaticContact CZ-CE2 3.46Å; F1290-F1305 HydrophobicContact CZ-CE2 3.46Å; F1290-F1305 VanDerWaalsContact CZ-CE2 3.46Å; F1290-F1305 AromaticContact CZ-CG 3.95Å; F1290-F1305 HydrophobicContact CZ-CG 3.95Å; F1290-F1305 AromaticContact CZ-CZ 3.99Å; F1290-F1305 HydrophobicContact CZ-CZ 3.99Å; F1290-D1309 VanDerWaalsContact CD1-O 3.28Å; F1290-D1309 WeakPolarHBondContact CD1-O 3.41Å; F1290-D1309 WeakPolarHBondContact CE1-O 2.92Å; F1290-D1309 PolarHBondContact N-O 2.82Å; F1290-L1311 HydrophobicContact CD1-CD2 3.59Å; F1290-L1311 HydrophobicContact CD1-CG 3.63Å; F1290-L1311 HydrophobicContact CE1-CD2 3.63Å; F1290-L1311 HydrophobicContact CE1-CG 4.07Å; F1290-L1311 HydrophobicContact CG-CD2 4.23Å; F1290-L1311 HydrophobicContact CG-CG 4.36Å; F1290-L1311 HydrophobicContact CZ-CD2 4.33Å | ||
| 1291 | P | 52.8 | Low | 56.2 | Low | 60 Ų | 60 | 57.7 Ų | 57.7 | 39% | 0.39 | 33% | 0.331 | S | S | . | . | trans | -71.8 | 148.7 | -177.3 | 28.8 | -34.3 | 0 | 0 | 0 | 111.6 | G1293 L1294 K1295 | P1291-G1293 PolarHBondContact O-N 2.84Å; P1291-G1293 VanDerWaalsContact O-N 3.1Å; P1291-L1294 HydrophobicContact CG-CB 4.04Å; P1291-L1294 WeakPolarHBondContact O-CB 3.39Å; P1291-L1294 PolarHBondContact O-N 3.24Å; P1291-K1295 PolarHBondContact O-N 3.46Å | ||
| 1292 | P | 55.6 | Low | 55.9 | Low | 101 Ų | 101 | 58.8 Ų | 58.8 | 66% | 0.656 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.9 | -19.8 | -176.1 | 23.5 | -33.8 | 0 | 0 | 0 | 114.6 | K1295 N1296 | P1292-K1295 WeakPolarHBondContact O-CB 3.41Å; P1292-K1295 PolarHBondContact O-N 3.46Å; P1292-N1296 PolarHBondContact O-N 3.1Å |
| 1293 | G | 60.2 | Low | 55.7 | Low | 32 Ų | 32 | 55.3 Ų | 55.3 | 33% | 0.33 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1291 N1296 H1297 | P1291-G1293 PolarHBondContact O-N 2.84Å; P1291-G1293 VanDerWaalsContact O-N 3.1Å; G1293-N1296 PolarHBondContact O-N 3.25Å; G1293-H1297 PolarHBondContact O-N 2.85Å; G1293-H1297 PolarHBondContact O-ND1 2.92Å |
| 1294 | L | 57.9 | Low | 55.5 | Low | 25 Ų | 25 | 60.9 Ų | 60.9 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.9 | -33.5 | 175.5 | -164.9 | 78 | 0 | 0 | 0 | 110.9 | F1290 P1291 N1296 H1297 L1298 L1350 E1353 | F1290-L1294 HydrophobicContact CB-CD2 4.04Å; P1291-L1294 HydrophobicContact CG-CB 4.04Å; P1291-L1294 WeakPolarHBondContact O-CB 3.39Å; P1291-L1294 PolarHBondContact O-N 3.24Å; L1294-N1296 VanDerWaalsContact C-N 3.33Å; L1294-N1296 PolarHBondContact O-N 2.83Å; L1294-H1297 PolarHBondContact O-N 2.81Å; L1294-L1298 HydrophobicContact CD2-CD1 3.78Å; L1294-L1298 HydrophobicContact CG-CD1 3.69Å; L1294-L1298 HydrophobicContact CG-CG 4.11Å; L1294-L1298 WeakPolarHBondContact O-CB 3.38Å; L1294-L1298 WeakPolarHBondContact O-CG 3.48Å; L1294-L1298 PolarHBondContact O-N 3.43Å; L1294-L1350 HydrophobicContact CD1-CD2 3.76Å; L1294-L1350 HydrophobicContact CD2-CD2 4.37Å; L1294-E1353 VanDerWaalsContact CD1-OE2 3.32Å; L1294-E1353 WeakPolarHBondContact CD1-OE2 3.46Å |
| 1295 | K | 59.8 | Low | 55.5 | Low | 72 Ų | 72 | 59 Ų | 59 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -54.5 | -48.4 | 173.4 | -169.5 | 169.4 | -175.7 | 172.7 | 0 | 112 | F1290 P1291 P1292 S1299 D1309 | F1290-K1295 HydrophobicContact CD2-CB 4.15Å; F1290-K1295 HydrophobicContact CE2-CB 3.56Å; F1290-K1295 HydrophobicContact CE2-CD 4.28Å; F1290-K1295 HydrophobicContact CE2-CG 3.81Å; F1290-K1295 HydrophobicContact CZ-CG 4.44Å; P1291-K1295 PolarHBondContact O-N 3.46Å; P1292-K1295 WeakPolarHBondContact O-CB 3.41Å; P1292-K1295 PolarHBondContact O-N 3.46Å; K1295-S1299 WeakPolarHBondContact O-CB 3.3Å; K1295-S1299 PolarHBondContact O-N 2.97Å; K1295-S1299 PolarHBondContact O-OG 2.93Å; K1295-D1309 WeakPolarHBondContact CD-OD1 3.08Å; K1295-D1309 WeakPolarHBondContact CE-OD1 3.42Å; K1295-D1309 IonicContact NZ-OD1 2.69Å; K1295-D1309 PolarHBondContact NZ-OD1 3.14Å |
| 1296 | N | 61 | Low | 55.3 | Low | 107 Ų | 107 | 62.2 Ų | 62.2 | 57% | 0.572 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.3 | -48.7 | 179 | -68.8 | -4 | 0 | 0 | 0 | 110.9 | P1292 G1293 L1294 S1299 V1300 | P1292-N1296 PolarHBondContact O-N 3.1Å; G1293-N1296 PolarHBondContact O-N 3.25Å; L1294-N1296 VanDerWaalsContact C-N 3.33Å; L1294-N1296 PolarHBondContact O-N 2.83Å; N1296-S1299 PolarHBondContact O-N 3Å; N1296-S1299 PolarHBondContact O-OG 3.03Å; N1296-V1300 WeakPolarHBondContact O-CG2 3.12Å; N1296-V1300 PolarHBondContact O-N 3.4Å |
| 1297 | H | 57.6 | Low | 54.9 | Low | 105 Ų | 105 | 62.5 Ų | 62.5 | 49% | 0.486 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | -180 | -70.6 | 101.7 | 0 | 0 | 0 | 113.5 | G1293 L1294 S1299 V1300 C1301 E1353 | G1293-H1297 PolarHBondContact O-N 2.85Å; G1293-H1297 PolarHBondContact O-ND1 2.92Å; L1294-H1297 PolarHBondContact O-N 2.81Å; H1297-S1299 VanDerWaalsContact C-N 3.32Å; H1297-S1299 PolarHBondContact O-N 2.81Å; H1297-V1300 WeakPolarHBondContact O-CB 3.47Å; H1297-V1300 PolarHBondContact O-N 3.23Å; H1297-C1301 PolarHBondContact O-N 2.74Å; H1297-E1353 IonicContact ND1-OE1 2.99Å |
| 1298 | L | 57.7 | Low | 54.9 | Low | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.089 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.1 | -35 | 177 | -68.9 | 171.6 | 0 | 0 | 0 | 111.8 | L1294 V1300 C1301 G1302 I1303 F1305 L1346 | L1294-L1298 HydrophobicContact CD2-CD1 3.78Å; L1294-L1298 HydrophobicContact CG-CD1 3.69Å; L1294-L1298 HydrophobicContact CG-CG 4.11Å; L1294-L1298 WeakPolarHBondContact O-CB 3.38Å; L1294-L1298 WeakPolarHBondContact O-CG 3.48Å; L1294-L1298 PolarHBondContact O-N 3.43Å; L1298-V1300 VanDerWaalsContact C-N 3.34Å; L1298-V1300 PolarHBondContact O-N 2.77Å; L1298-C1301 CarbonylContact O-C 3.57Å; L1298-C1301 WeakPolarHBondContact O-CA 3.15Å; L1298-C1301 PolarHBondContact O-N 2.81Å; L1298-G1302 PolarHBondContact O-N 3.5Å; L1298-I1303 CarbonylContact C-O 3.47Å; L1298-I1303 HydrophobicContact CB-CB 4.34Å; L1298-I1303 HydrophobicContact CD2-CD1 4.05Å; L1298-I1303 PolarHBondContact O-N 3.24Å; L1298-F1305 HydrophobicContact CB-CE2 4.33Å; L1298-F1305 HydrophobicContact CB-CZ 3.66Å; L1298-F1305 HydrophobicContact CD1-CE1 4.21Å; L1298-F1305 HydrophobicContact CD1-CZ 3.63Å; L1298-F1305 HydrophobicContact CG-CZ 4.27Å; L1298-L1346 HydrophobicContact CD2-CD2 3.92Å |
| 1299 | S | 62.4 | Low | 54.8 | Low | 66 Ų | 66 | 63.9 Ų | 63.9 | 46% | 0.462 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67 | -32.2 | 172.7 | 76.6 | 0 | 0 | 0 | 0 | 113.3 | K1295 N1296 H1297 C1301 G1302 | K1295-S1299 WeakPolarHBondContact O-CB 3.3Å; K1295-S1299 PolarHBondContact O-N 2.97Å; K1295-S1299 PolarHBondContact O-OG 2.93Å; N1296-S1299 PolarHBondContact O-N 3Å; N1296-S1299 PolarHBondContact O-OG 3.03Å; H1297-S1299 VanDerWaalsContact C-N 3.32Å; H1297-S1299 PolarHBondContact O-N 2.81Å; S1299-C1301 VanDerWaalsContact C-N 3.34Å; S1299-G1302 PolarHBondContact O-N 3.3Å; S1299-G1302 VanDerWaalsContact O-N 3.17Å |
| 1300 | V | 60.6 | Low | 55 | Low | 123 Ų | 123 | 64.6 Ų | 64.6 | 75% | 0.745 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.1 | -34.8 | 171.3 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | N1296 H1297 L1298 G1302 | N1296-V1300 WeakPolarHBondContact O-CG2 3.12Å; N1296-V1300 PolarHBondContact O-N 3.4Å; H1297-V1300 WeakPolarHBondContact O-CB 3.47Å; H1297-V1300 PolarHBondContact O-N 3.23Å; L1298-V1300 VanDerWaalsContact C-N 3.34Å; L1298-V1300 PolarHBondContact O-N 2.77Å; V1300-G1302 PolarHBondContact O-N 2.89Å |
| 1301 | C | 50.3 | Low | 55.1 | Low | 33 Ų | 33 | 64.8 Ų | 64.8 | 22% | 0.223 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 12.5 | 170.8 | -63 | 0 | 0 | 0 | 0 | 114 | H1297 L1298 S1299 I1303 L1346 | H1297-C1301 PolarHBondContact O-N 2.74Å; L1298-C1301 CarbonylContact O-C 3.57Å; L1298-C1301 WeakPolarHBondContact O-CA 3.15Å; L1298-C1301 PolarHBondContact O-N 2.81Å; S1299-C1301 VanDerWaalsContact C-N 3.34Å; C1301-I1303 PolarHBondContact O-N 3Å; C1301-L1346 HydrophobicContact CB-CD1 3.69Å; C1301-L1346 HydrophobicContact CB-CG 4.34Å |
| 1302 | G | 49.9 | Very low | 55.4 | Low | 58 Ų | 58 | 63.9 Ų | 63.9 | 60% | 0.598 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | -3.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1298 S1299 V1300 | L1298-G1302 PolarHBondContact O-N 3.5Å; S1299-G1302 PolarHBondContact O-N 3.3Å; S1299-G1302 VanDerWaalsContact O-N 3.17Å; V1300-G1302 PolarHBondContact O-N 2.89Å |
| 1303 | I | 51.2 | Low | 55.7 | Low | 19 Ų | 19 | 59.2 Ų | 59.2 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | trans | -81.7 | 120.1 | -178.9 | -59 | 172.3 | 0 | 0 | 0 | 109.3 | L1298 C1301 F1305 L1346 | L1298-I1303 CarbonylContact C-O 3.47Å; L1298-I1303 HydrophobicContact CB-CB 4.34Å; L1298-I1303 HydrophobicContact CD2-CD1 4.05Å; L1298-I1303 PolarHBondContact O-N 3.24Å; C1301-I1303 PolarHBondContact O-N 3Å; I1303-F1305 HydrophobicContact CG2-CD1 4.33Å; I1303-F1305 HydrophobicContact CG2-CE1 3.61Å; I1303-F1305 HydrophobicContact CG2-CZ 4Å; I1303-L1346 HydrophobicContact CD1-CD1 3.89Å | ||
| 1304 | R | 50 | Low | 55.7 | Low | 163 Ų | 163 | 60.8 Ų | 60.8 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | trans | -120.4 | 159.4 | 174.6 | -52.4 | -179.8 | -168.4 | 172.5 | 3.1 | 110.5 | D1330 | R1304-D1330 VanDerWaalsContact C-CG 3.45Å; R1304-D1330 HydrophobicContact CB-CB 3.95Å; R1304-D1330 WeakPolarHBondContact CB-OD2 3.3Å; R1304-D1330 PolarHBondContact O-N 2.72Å; R1304-D1330 VanDerWaalsContact O-N 3.15Å | ||
| 1305 | F | 51.5 | Low | 55.6 | Low | 29 Ų | 29 | 61.3 Ų | 61.3 | 13% | 0.127 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -128.8 | 130.9 | -164.4 | -43 | -76.7 | 0 | 0 | 0 | 113.5 | F1290 L1298 I1303 A1307 L1311 D1330 | F1290-F1305 HydrophobicContact CE1-CD2 4.23Å; F1290-F1305 HydrophobicContact CE1-CE2 4.4Å; F1290-F1305 HydrophobicContact CE1-CG 4.31Å; F1290-F1305 HydrophobicContact CE2-CD2 4.13Å; F1290-F1305 AromaticContact CE2-CE2 3.69Å; F1290-F1305 HydrophobicContact CE2-CE2 3.69Å; F1290-F1305 HydrophobicContact CE2-CZ 4.13Å; F1290-F1305 HydrophobicContact CZ-CD1 4.44Å; F1290-F1305 AromaticContact CZ-CD2 3.43Å; F1290-F1305 HydrophobicContact CZ-CD2 3.43Å; F1290-F1305 VanDerWaalsContact CZ-CD2 3.43Å; F1290-F1305 HydrophobicContact CZ-CE1 4.46Å; F1290-F1305 AromaticContact CZ-CE2 3.46Å; F1290-F1305 HydrophobicContact CZ-CE2 3.46Å; F1290-F1305 VanDerWaalsContact CZ-CE2 3.46Å; F1290-F1305 AromaticContact CZ-CG 3.95Å; F1290-F1305 HydrophobicContact CZ-CG 3.95Å; F1290-F1305 AromaticContact CZ-CZ 3.99Å; F1290-F1305 HydrophobicContact CZ-CZ 3.99Å; L1298-F1305 HydrophobicContact CB-CE2 4.33Å; L1298-F1305 HydrophobicContact CB-CZ 3.66Å; L1298-F1305 HydrophobicContact CD1-CE1 4.21Å; L1298-F1305 HydrophobicContact CD1-CZ 3.63Å; L1298-F1305 HydrophobicContact CG-CZ 4.27Å; I1303-F1305 HydrophobicContact CG2-CD1 4.33Å; I1303-F1305 HydrophobicContact CG2-CE1 3.61Å; I1303-F1305 HydrophobicContact CG2-CZ 4Å; F1305-A1307 VanDerWaalsContact C-N 3.26Å; F1305-A1307 PolarHBondContact O-N 2.74Å; F1305-L1311 HydrophobicContact CD1-CD2 3.53Å; F1305-L1311 HydrophobicContact CE1-CD2 3.27Å; F1305-L1311 HydrophobicContact CG-CD2 4.43Å; F1305-L1311 HydrophobicContact CZ-CD2 4.03Å; F1305-D1330 PolarHBondContact N-OD2 3.31Å |
| 1306 | K | 50.3 | Low | 55.7 | Low | 102 Ų | 102 | 65.9 Ų | 65.9 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -18.8 | -179.1 | -64.2 | -170.1 | 175.9 | -174.1 | 0 | 115.7 | V1328 D1330 | K1306-V1328 HydrophobicContact CD-CG1 3.94Å; K1306-D1330 WeakPolarHBondContact CA-OD1 3.02Å; K1306-D1330 WeakPolarHBondContact CG-OD1 3.41Å; K1306-D1330 PolarHBondContact N-OD1 2.67Å |
| 1307 | A | 46.6 | Very low | 55.4 | Low | 32 Ų | 32 | 68.8 Ų | 68.8 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -126.2 | 41 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1287 F1305 D1309 H1310 | L1287-A1307 HydrophobicContact CD2-CB 3.71Å; F1305-A1307 VanDerWaalsContact C-N 3.26Å; F1305-A1307 PolarHBondContact O-N 2.74Å; A1307-D1309 PolarHBondContact O-N 2.82Å; A1307-H1310 HydrophobicContact CB-CB 4.35Å; A1307-H1310 PolarHBondContact O-N 2.78Å |
| 1308 | G | 55.4 | Low | 55.1 | Low | 48 Ų | 48 | 67 Ų | 67 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -106.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1309 | D | 53.3 | Low | 54.7 | Low | 79 Ų | 79 | 68.4 Ų | 68.4 | 42% | 0.422 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 21.9 | 176.6 | -67 | -30.3 | 0 | 0 | 0 | 112.2 | F1290 K1295 A1307 | F1290-D1309 VanDerWaalsContact CD1-O 3.28Å; F1290-D1309 WeakPolarHBondContact CD1-O 3.41Å; F1290-D1309 WeakPolarHBondContact CE1-O 2.92Å; F1290-D1309 PolarHBondContact N-O 2.82Å; K1295-D1309 WeakPolarHBondContact CD-OD1 3.08Å; K1295-D1309 WeakPolarHBondContact CE-OD1 3.42Å; K1295-D1309 IonicContact NZ-OD1 2.69Å; K1295-D1309 PolarHBondContact NZ-OD1 3.14Å; A1307-D1309 PolarHBondContact O-N 2.82Å |
| 1310 | H | 55 | Low | 54.1 | Low | 67 Ų | 67 | 72.2 Ų | 72.2 | 31% | 0.31 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.9 | 179.8 | -56.3 | -68.2 | 0 | 0 | 0 | 112.5 | L1287 V1288 A1307 | L1287-H1310 HydrophobicContact CB-CB 3.98Å; L1287-H1310 HydrophobicContact CD2-CB 3.91Å; L1287-H1310 HydrophobicContact CG-CB 4.47Å; V1288-H1310 WeakPolarHBondContact O-CA 3.43Å; A1307-H1310 HydrophobicContact CB-CB 4.35Å; A1307-H1310 PolarHBondContact O-N 2.78Å |
| 1311 | L | 58.6 | Low | 53.8 | Low | 22 Ų | 22 | 72.9 Ų | 72.9 | 12% | 0.115 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 125.3 | 167.5 | -55 | -177.5 | 0 | 0 | 0 | 108.4 | L1287 V1288 F1290 F1305 L1327 | L1287-L1311 WeakPolarHBondContact CA-O 3.39Å; V1288-L1311 HydrophobicContact CB-CB 4.23Å; V1288-L1311 PolarHBondContact N-O 3.36Å; V1288-L1311 PolarHBondContact O-N 3.37Å; F1290-L1311 HydrophobicContact CD1-CD2 3.59Å; F1290-L1311 HydrophobicContact CD1-CG 3.63Å; F1290-L1311 HydrophobicContact CE1-CD2 3.63Å; F1290-L1311 HydrophobicContact CE1-CG 4.07Å; F1290-L1311 HydrophobicContact CG-CD2 4.23Å; F1290-L1311 HydrophobicContact CG-CG 4.36Å; F1290-L1311 HydrophobicContact CZ-CD2 4.33Å; F1305-L1311 HydrophobicContact CD1-CD2 3.53Å; F1305-L1311 HydrophobicContact CE1-CD2 3.27Å; F1305-L1311 HydrophobicContact CG-CD2 4.43Å; F1305-L1311 HydrophobicContact CZ-CD2 4.03Å; L1311-L1327 HydrophobicContact CB-CD1 3.77Å; L1311-L1327 HydrophobicContact CD1-CD1 4.06Å; L1311-L1327 HydrophobicContact CD2-CD1 4.21Å; L1311-L1327 HydrophobicContact CG-CD1 4.22Å |
| 1312 | L | 58.6 | Low | 53.9 | Low | 42 Ų | 42 | 74.9 Ų | 74.9 | 22% | 0.22 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 114.3 | 172.1 | -176.2 | 69.2 | 0 | 0 | 0 | 109.2 | I1286 L1287 V1328 | I1286-L1312 HydrophobicContact CG2-CD1 4.05Å; L1287-L1312 HydrophobicContact CD2-CD1 3.87Å; L1312-V1328 HydrophobicContact CB-CB 4.26Å; L1312-V1328 HydrophobicContact CD2-CB 4.08Å; L1312-V1328 HydrophobicContact CD2-CG1 4.31Å; L1312-V1328 HydrophobicContact CD2-CG2 4.09Å; L1312-V1328 HydrophobicContact CG-CB 4.33Å; L1312-V1328 HydrophobicContact CG-CG2 4.19Å; L1312-V1328 PolarHBondContact O-N 3.19Å |
| 1313 | V | 62.2 | Low | 54.2 | Low | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.5 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 109 | L1278 L1280 I1286 V1288 P1315 | L1278-V1313 HydrophobicContact CB-CG1 4.29Å; L1278-V1313 HydrophobicContact CB-CG2 4.4Å; L1278-V1313 HydrophobicContact CD1-CG2 3.75Å; L1280-V1313 HydrophobicContact CD1-CG2 4.39Å; I1286-V1313 PolarHBondContact O-N 3.39Å; V1288-V1313 HydrophobicContact CG2-CG2 3.9Å; V1313-P1315 VanDerWaalsContact O-CD 3.26Å; V1313-P1315 WeakPolarHBondContact O-CD 3.45Å |
| 1314 | C | 59.5 | Low | 54.8 | Low | 66 Ų | 66 | 72 Ų | 72 | 45% | 0.446 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 104.8 | 176.8 | -168.4 | 0 | 0 | 0 | 0 | 109.7 | R1316 G1325 E1326 V1328 | C1314-R1316 PolarHBondContact O-N 3.3Å; C1314-G1325 CarbonylContact O-C 3.59Å; C1314-G1325 WeakPolarHBondContact O-CA 3.46Å; C1314-E1326 WeakPolarHBondContact CB-O 3.21Å; C1314-E1326 PolarHBondContact N-O 3.17Å; C1314-E1326 PolarHBondContact O-N 3.11Å; C1314-V1328 HydrophobicContact CB-CG2 3.73Å |
| 1315 | P | 56.8 | Low | 55.3 | Low | 36 Ų | 36 | 64.2 Ų | 64.2 | 23% | 0.234 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 127.4 | -173 | 26 | -31.3 | 0 | 0 | 0 | 111.7 | H1155 V1313 L1323 | H1155-P1315 VanDerWaalsContact NE2-CG 3.28Å; H1155-P1315 WeakPolarHBondContact NE2-CG 3.35Å; V1313-P1315 VanDerWaalsContact O-CD 3.26Å; V1313-P1315 WeakPolarHBondContact O-CD 3.45Å; P1315-L1323 HydrophobicContact CB-CD1 3.74Å; P1315-L1323 HydrophobicContact CB-CD2 4.26Å; P1315-L1323 HydrophobicContact CB-CG 4.05Å |
| 1316 | R | 60.5 | Low | 55.9 | Low | 167 Ų | 167 | 65.1 Ų | 65.1 | 63% | 0.63 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -39.7 | 177.3 | -81.5 | -170.1 | 172.8 | -129 | 11.4 | 112.9 | C1314 V1324 E1326 | C1314-R1316 PolarHBondContact O-N 3.3Å; R1316-V1324 PolarHBondContact N-O 2.97Å; R1316-E1326 IonicContact CZ-OE1 3.42Å; R1316-E1326 IonicContact CZ-OE2 2.67Å; R1316-E1326 IonicContact NE-OE1 3.87Å; R1316-E1326 IonicContact NE-OE2 3.64Å; R1316-E1326 PolarHBondContact NE-OE2 3.25Å; R1316-E1326 IonicContact NH2-OE1 2.76Å; R1316-E1326 PolarHBondContact NH2-OE1 2.96Å; R1316-E1326 IonicContact NH2-OE2 3.56Å; R1316-E1326 PolarHBondContact NH2-OE2 2.87Å |
| 1317 | R | 55.9 | Low | 56.5 | Low | 168 Ų | 168 | 61.5 Ų | 61.5 | 63% | 0.634 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 165.3 | 179.3 | 63 | 178.4 | -177.1 | -177.4 | 1.2 | 112.8 | V1319 V1324 | R1317-V1319 HydrophobicContact CG-CG2 4.04Å; R1317-V1324 HydrophobicContact CG-CB 3.75Å; R1317-V1324 HydrophobicContact CG-CG1 4.2Å; R1317-V1324 HydrophobicContact CG-CG2 4.06Å; R1317-V1324 PolarHBondContact N-O 3.19Å; R1317-V1324 WeakPolarHBondContact O-CA 3.36Å; R1317-V1324 WeakPolarHBondContact O-CB 3.39Å; R1317-V1324 PolarHBondContact O-N 3.28Å; R1317-V1324 VanDerWaalsContact O-O 3.08Å |
| 1318 | L | 51.3 | Low | 56.9 | Low | 67 Ų | 67 | 61.8 Ų | 61.8 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.2 | 171.9 | -120.3 | 154.8 | 0 | 0 | 0 | 109.3 | L1171 T1283 D1321 H1322 L1323 | L1171-L1318 HydrophobicContact CD1-CB 3.94Å; L1171-L1318 HydrophobicContact CD1-CD1 3.57Å; L1171-L1318 HydrophobicContact CD1-CG 4.37Å; T1283-L1318 HydrophobicContact CG2-CD1 3.89Å; T1283-L1318 HydrophobicContact CG2-CD2 3.85Å; T1283-L1318 HydrophobicContact CG2-CG 4.22Å; L1318-D1321 VanDerWaalsContact CD2-C 3.41Å; L1318-H1322 WeakPolarHBondContact CA-O 3.34Å; L1318-H1322 WeakPolarHBondContact CD2-O 3.23Å; L1318-L1323 HydrophobicContact CD1-CD1 4.44Å; L1318-L1323 HydrophobicContact CG-CD1 4.37Å |
| 1319 | V | 49.4 | Very low | 56.9 | Low | 48 Ų | 48 | 61.7 Ų | 61.7 | 29% | 0.291 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 116.2 | -178.3 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | R1317 D1321 H1322 V1324 | R1317-V1319 HydrophobicContact CG-CG2 4.04Å; V1319-D1321 VanDerWaalsContact C-N 3.33Å; V1319-D1321 PolarHBondContact O-N 2.99Å; V1319-H1322 PolarHBondContact N-O 3.4Å; V1319-H1322 WeakPolarHBondContact O-CA 3.49Å; V1319-H1322 WeakPolarHBondContact O-CB 3.45Å; V1319-H1322 PolarHBondContact O-N 2.96Å; V1319-V1324 HydrophobicContact CB-CG2 4.11Å; V1319-V1324 HydrophobicContact CG2-CG2 3.75Å |
| 1320 | N | 50 | Low | 56.8 | Low | 145 Ų | 145 | 60.5 Ų | 60.5 | 78% | 0.775 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 44.6 | 179.6 | -56.7 | -19.6 | 0 | 0 | 0 | 113.7 | H1322 | N1320-H1322 PolarHBondContact O-CD2 3.42Å; N1320-H1322 PolarHBondContact O-N 3.32Å |
| 1321 | D | 52.9 | Low | 56.6 | Low | 138 Ų | 138 | 61.8 Ų | 61.8 | 74% | 0.738 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 0.6 | -171 | -64.8 | -20.9 | 0 | 0 | 0 | 116.5 | L1318 V1319 | L1318-D1321 VanDerWaalsContact CD2-C 3.41Å; V1319-D1321 VanDerWaalsContact C-N 3.33Å; V1319-D1321 PolarHBondContact O-N 2.99Å |
| 1322 | H | 52.7 | Low | 55.8 | Low | 74 Ų | 74 | 65.5 Ų | 65.5 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 138 | 172.3 | -54.6 | -108.6 | 0 | 0 | 0 | 112.2 | C1279 L1280 S1281 L1318 V1319 N1320 V1324 | C1279-H1322 WeakPolarHBondContact SG-CB 3.5Å; L1280-H1322 CarbonylContact O-C 3.58Å; L1280-H1322 WeakPolarHBondContact O-CA 3.44Å; S1281-H1322 WeakPolarHBondContact CA-ND1 3.31Å; L1318-H1322 WeakPolarHBondContact CA-O 3.34Å; L1318-H1322 WeakPolarHBondContact CD2-O 3.23Å; V1319-H1322 PolarHBondContact N-O 3.4Å; V1319-H1322 WeakPolarHBondContact O-CA 3.49Å; V1319-H1322 WeakPolarHBondContact O-CB 3.45Å; V1319-H1322 PolarHBondContact O-N 2.96Å; N1320-H1322 PolarHBondContact O-CD2 3.42Å; N1320-H1322 PolarHBondContact O-N 3.32Å; H1322-V1324 PolarHBondContact O-N 2.75Å |
| 1323 | L | 57.1 | Low | 54.9 | Low | 7 Ų | 7 | 69.1 Ų | 69.1 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 101.1 | -178.4 | -173.7 | 77 | 0 | 0 | 0 | 111.3 | C1279 L1280 T1283 P1315 L1318 | C1279-L1323 CarbonylContact C-O 3.56Å; C1279-L1323 VanDerWaalsContact CA-O 3.28Å; C1279-L1323 WeakPolarHBondContact CA-O 3.36Å; L1280-L1323 HydrophobicContact CB-CB 4.46Å; L1280-L1323 PolarHBondContact N-O 3.1Å; L1280-L1323 PolarHBondContact O-N 3.28Å; T1283-L1323 HydrophobicContact CG2-CB 4.35Å; P1315-L1323 HydrophobicContact CB-CD1 3.74Å; P1315-L1323 HydrophobicContact CB-CD2 4.26Å; P1315-L1323 HydrophobicContact CB-CG 4.05Å; L1318-L1323 HydrophobicContact CD1-CD1 4.44Å; L1318-L1323 HydrophobicContact CG-CD1 4.37Å |
| 1324 | V | 63.3 | Low | 53.7 | Low | 9 Ų | 9 | 75.3 Ų | 75.3 | 6% | 0.055 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 125.2 | 173.9 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | V1277 L1278 C1279 R1316 R1317 V1319 H1322 | V1277-V1324 HydrophobicContact CG1-CG1 3.39Å; L1278-V1324 CarbonylContact O-C 3.57Å; L1278-V1324 WeakPolarHBondContact O-CA 2.84Å; C1279-V1324 HydrophobicContact CB-CG2 4.11Å; C1279-V1324 WeakPolarHBondContact SG-CG2 3.4Å; R1316-V1324 PolarHBondContact N-O 2.97Å; R1317-V1324 HydrophobicContact CG-CB 3.75Å; R1317-V1324 HydrophobicContact CG-CG1 4.2Å; R1317-V1324 HydrophobicContact CG-CG2 4.06Å; R1317-V1324 PolarHBondContact N-O 3.19Å; R1317-V1324 WeakPolarHBondContact O-CA 3.36Å; R1317-V1324 WeakPolarHBondContact O-CB 3.39Å; R1317-V1324 PolarHBondContact O-N 3.28Å; R1317-V1324 VanDerWaalsContact O-O 3.08Å; V1319-V1324 HydrophobicContact CB-CG2 4.11Å; V1319-V1324 HydrophobicContact CG2-CG2 3.75Å; H1322-V1324 PolarHBondContact O-N 2.75Å |
| 1325 | G | 59.6 | Low | 53 | Low | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 166.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1277 L1278 C1314 | V1277-G1325 CarbonylContact C-O 3.56Å; V1277-G1325 VanDerWaalsContact CA-O 3.3Å; V1277-G1325 WeakPolarHBondContact CA-O 3.28Å; L1278-G1325 PolarHBondContact N-O 3.01Å; L1278-G1325 PolarHBondContact O-N 2.62Å; C1314-G1325 CarbonylContact O-C 3.59Å; C1314-G1325 WeakPolarHBondContact O-CA 3.46Å |
| 1326 | E | 65.6 | Low | 52.2 | Low | 48 Ų | 48 | 80 Ų | 80 | 22% | 0.224 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136.7 | -171.9 | -171.1 | 165.9 | -140.9 | 0 | 0 | 110.9 | C1314 R1316 V1328 | C1314-E1326 WeakPolarHBondContact CB-O 3.21Å; C1314-E1326 PolarHBondContact N-O 3.17Å; C1314-E1326 PolarHBondContact O-N 3.11Å; R1316-E1326 IonicContact CZ-OE1 3.42Å; R1316-E1326 IonicContact CZ-OE2 2.67Å; R1316-E1326 IonicContact NE-OE1 3.87Å; R1316-E1326 IonicContact NE-OE2 3.64Å; R1316-E1326 PolarHBondContact NE-OE2 3.25Å; R1316-E1326 IonicContact NH2-OE1 2.76Å; R1316-E1326 PolarHBondContact NH2-OE1 2.96Å; R1316-E1326 IonicContact NH2-OE2 3.56Å; R1316-E1326 PolarHBondContact NH2-OE2 2.87Å; E1326-V1328 PolarHBondContact O-N 3.1Å |
| 1327 | L | 62.2 | Low | 51.4 | Low | 27 Ų | 27 | 80.2 Ų | 80.2 | 14% | 0.141 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 125 | -178.1 | -171.8 | 77.5 | 0 | 0 | 0 | 111.5 | L1276 L1278 L1311 C1329 | L1276-L1327 HydrophobicContact CB-CB 4.06Å; L1276-L1327 HydrophobicContact CB-CD2 4.48Å; L1276-L1327 HydrophobicContact CD1-CD2 4.06Å; L1276-L1327 PolarHBondContact O-N 3.3Å; L1278-L1327 HydrophobicContact CD1-CB 4.4Å; L1278-L1327 HydrophobicContact CD1-CD1 3.82Å; L1311-L1327 HydrophobicContact CB-CD1 3.77Å; L1311-L1327 HydrophobicContact CD1-CD1 4.06Å; L1311-L1327 HydrophobicContact CD2-CD1 4.21Å; L1311-L1327 HydrophobicContact CG-CD1 4.22Å; L1327-C1329 PolarHBondContact O-N 2.8Å |
| 1328 | V | 55 | Low | 51.1 | Low | 37 Ų | 37 | 75.2 Ų | 75.2 | 22% | 0.224 | 40% | 0.403 | C | S | . | . | trans | -88.5 | 99.8 | 176.9 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | K1306 L1312 C1314 E1326 | K1306-V1328 HydrophobicContact CD-CG1 3.94Å; L1312-V1328 HydrophobicContact CB-CB 4.26Å; L1312-V1328 HydrophobicContact CD2-CB 4.08Å; L1312-V1328 HydrophobicContact CD2-CG1 4.31Å; L1312-V1328 HydrophobicContact CD2-CG2 4.09Å; L1312-V1328 HydrophobicContact CG-CB 4.33Å; L1312-V1328 HydrophobicContact CG-CG2 4.19Å; L1312-V1328 PolarHBondContact O-N 3.19Å; C1314-V1328 HydrophobicContact CB-CG2 3.73Å; E1326-V1328 PolarHBondContact O-N 3.1Å | ||
| 1329 | C | 55 | Low | 51 | Low | 46 Ų | 46 | 75.8 Ų | 75.8 | 31% | 0.311 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -78.4 | 154.1 | 169.5 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | L1327 N1331 | L1327-C1329 PolarHBondContact O-N 2.8Å; C1329-N1331 PolarHBondContact O-N 3.12Å |
| 1330 | D | 52.6 | Low | 51 | Low | 55 Ų | 55 | 79.8 Ų | 79.8 | 29% | 0.294 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -65.2 | -27.8 | -176.6 | -83.1 | -9.1 | 0 | 0 | 0 | 115.7 | R1304 F1305 K1306 | R1304-D1330 VanDerWaalsContact C-CG 3.45Å; R1304-D1330 HydrophobicContact CB-CB 3.95Å; R1304-D1330 WeakPolarHBondContact CB-OD2 3.3Å; R1304-D1330 PolarHBondContact O-N 2.72Å; R1304-D1330 VanDerWaalsContact O-N 3.15Å; F1305-D1330 PolarHBondContact N-OD2 3.31Å; K1306-D1330 WeakPolarHBondContact CA-OD1 3.02Å; K1306-D1330 WeakPolarHBondContact CG-OD1 3.41Å; K1306-D1330 PolarHBondContact N-OD1 2.67Å |
| 1331 | N | 49 | Very low | 51.2 | Low | 93 Ų | 93 | 79.2 Ų | 79.2 | 50% | 0.497 | 42% | 0.422 | S | S | . | . | trans | -139.7 | 115.1 | -177.9 | -72.6 | -76.8 | 0 | 0 | 0 | 111.4 | C1329 N1333 | C1329-N1331 PolarHBondContact O-N 3.12Å; N1331-N1333 VanDerWaalsContact C-N 3.3Å; N1331-N1333 PolarHBondContact O-N 3.41Å | ||
| 1332 | S | 42.5 | Very low | 51.3 | Low | 101 Ų | 101 | 74.7 Ų | 74.7 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -69.5 | -24.2 | 174.6 | 43.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1333 | N | 39.2 | Very low | 51.3 | Low | 117 Ų | 117 | 73.6 Ų | 73.6 | 63% | 0.626 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -94.5 | 0.3 | -163.2 | -61.7 | 22.1 | 0 | 0 | 0 | 114.6 | N1331 | N1331-N1333 VanDerWaalsContact C-N 3.3Å; N1331-N1333 PolarHBondContact O-N 3.41Å |
| 1334 | N | 38.7 | Very low | 51.4 | Low | 133 Ų | 133 | 77.3 Ų | 77.3 | 71% | 0.711 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -116.3 | 8.6 | -174.9 | -75.4 | 22.3 | 0 | 0 | 0 | 113.9 | E1336 | N1334-E1336 VanDerWaalsContact C-N 3.3Å; N1334-E1336 PolarHBondContact O-N 2.82Å |
| 1335 | C | 43.6 | Very low | 51.2 | Low | 41 Ų | 41 | 81.5 Ų | 81.5 | 28% | 0.277 | 44% | 0.435 | S | S | . | . | trans | -83 | -0.2 | -178.8 | -67.5 | 0 | 0 | 0 | 0 | 114.2 | H1337 L1338 | C1335-H1337 PolarHBondContact O-N 2.97Å; C1335-L1338 HydrophobicContact CB-CD1 4.35Å; C1335-L1338 PolarHBondContact O-N 2.82Å | ||
| 1336 | E | 40.8 | Very low | 51 | Low | 159 Ų | 159 | 82 Ų | 82 | 74% | 0.743 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 0.4 | -176.9 | -58.2 | -172.6 | 158.1 | 0 | 0 | 114.9 | N1334 | N1334-E1336 VanDerWaalsContact C-N 3.3Å; N1334-E1336 PolarHBondContact O-N 2.82Å |
| 1337 | H | 44.1 | Very low | 50.7 | Low | 172 Ų | 172 | 81.8 Ų | 81.8 | 80% | 0.796 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | 7.8 | -179.9 | -63.5 | -12.9 | 0 | 0 | 0 | 113.8 | C1335 T1339 | C1335-H1337 PolarHBondContact O-N 2.97Å; H1337-T1339 PolarHBondContact O-N 2.92Å |
| 1338 | L | 47.9 | Very low | 50.7 | Low | 62 Ų | 62 | 85.8 Ų | 85.8 | 33% | 0.325 | 46% | 0.456 | S | S | . | . | trans | -82.2 | 98.1 | 170.2 | -71.9 | 168.4 | 0 | 0 | 0 | 109.4 | C1335 C1342 M1343 | C1335-L1338 HydrophobicContact CB-CD1 4.35Å; C1335-L1338 PolarHBondContact O-N 2.82Å; L1338-C1342 HydrophobicContact CD2-CB 4.43Å; L1338-M1343 HydrophobicContact CB-CG 4.41Å; L1338-M1343 HydrophobicContact CD1-SD 4.47Å | ||
| 1339 | T | 49.3 | Very low | 50.7 | Low | 80 Ų | 80 | 88.4 Ų | 88.4 | 49% | 0.491 | 46% | 0.464 | S | S | . | . | trans | -62.7 | 158.5 | 171.8 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | H1337 D1341 C1342 M1343 | H1337-T1339 PolarHBondContact O-N 2.92Å; T1339-D1341 VanDerWaalsContact C-N 3.26Å; T1339-D1341 PolarHBondContact O-N 3.45Å; T1339-C1342 WeakPolarHBondContact O-CB 3.38Å; T1339-C1342 PolarHBondContact O-N 2.83Å; T1339-C1342 WeakPolarHBondContact OG1-CB 3.23Å; T1339-C1342 PolarHBondContact OG1-N 3.44Å; T1339-M1343 PolarHBondContact O-N 3.31Å; T1339-M1343 VanDerWaalsContact O-N 3.11Å | ||
| 1340 | E | 50.1 | Low | 50.6 | Low | 131 Ų | 131 | 88.6 Ų | 88.6 | 61% | 0.612 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -55.3 | -44.6 | 173.7 | -69.9 | -154.8 | 114.5 | 0 | 0 | 110.8 | R1272 C1342 M1343 D1344 | R1272-E1340 IonicContact CZ-OE1 2.69Å; R1272-E1340 IonicContact NE-OE1 3.87Å; R1272-E1340 PolarHBondContact NE-OE1 3.13Å; R1272-E1340 IonicContact NH2-OE1 3.42Å; R1272-E1340 PolarHBondContact NH2-OE1 2.9Å; R1272-E1340 IonicContact NH2-OE2 2.68Å; E1340-C1342 PolarHBondContact O-N 3.27Å; E1340-M1343 PolarHBondContact O-N 2.92Å; E1340-M1343 VanDerWaalsContact O-N 3.14Å; E1340-D1344 WeakPolarHBondContact O-CB 3.29Å; E1340-D1344 PolarHBondContact O-N 3.1Å |
| 1341 | D | 54.8 | Low | 50.6 | Low | 134 Ų | 134 | 89.1 Ų | 89.1 | 72% | 0.717 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -50.7 | -41.8 | 173.3 | -64.7 | -52.2 | 0 | 0 | 0 | 113.2 | T1339 D1344 E1345 | T1339-D1341 VanDerWaalsContact C-N 3.26Å; T1339-D1341 PolarHBondContact O-N 3.45Å; D1341-D1344 PolarHBondContact O-N 3.28Å; D1341-E1345 VanDerWaalsContact O-CB 3.25Å; D1341-E1345 WeakPolarHBondContact O-CB 3.47Å; D1341-E1345 PolarHBondContact O-N 3.39Å |
| 1342 | C | 54.2 | Low | 50.9 | Low | 42 Ų | 42 | 88.9 Ų | 88.9 | 28% | 0.284 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.7 | -40 | -178 | -167.1 | 0 | 0 | 0 | 0 | 111.7 | L1338 T1339 E1340 L1346 | L1338-C1342 HydrophobicContact CD2-CB 4.43Å; T1339-C1342 WeakPolarHBondContact O-CB 3.38Å; T1339-C1342 PolarHBondContact O-N 2.83Å; T1339-C1342 WeakPolarHBondContact OG1-CB 3.23Å; T1339-C1342 PolarHBondContact OG1-N 3.44Å; E1340-C1342 PolarHBondContact O-N 3.27Å; C1342-L1346 WeakPolarHBondContact O-CB 3.33Å; C1342-L1346 PolarHBondContact O-N 2.72Å |
| 1343 | M | 53.5 | Low | 51.4 | Low | 52 Ų | 52 | 86.7 Ų | 86.7 | 26% | 0.256 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 172.4 | -78.4 | -68.4 | -70.4 | 0 | 0 | 111.7 | T1270 L1338 T1339 E1340 L1346 V1347 | T1270-M1343 HydrophobicContact CG2-CE 4.03Å; L1338-M1343 HydrophobicContact CB-CG 4.41Å; L1338-M1343 HydrophobicContact CD1-SD 4.47Å; T1339-M1343 PolarHBondContact O-N 3.31Å; T1339-M1343 VanDerWaalsContact O-N 3.11Å; E1340-M1343 PolarHBondContact O-N 2.92Å; E1340-M1343 VanDerWaalsContact O-N 3.14Å; M1343-L1346 WeakPolarHBondContact O-CB 3.38Å; M1343-L1346 PolarHBondContact O-N 3.41Å; M1343-V1347 WeakPolarHBondContact O-CG2 3.43Å; M1343-V1347 PolarHBondContact O-N 3.47Å |
| 1344 | D | 57.6 | Low | 51.6 | Low | 85 Ų | 85 | 85 Ų | 85 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 177.9 | -130.4 | 50.1 | 0 | 0 | 0 | 111.2 | E1340 D1341 V1347 K1348 | E1340-D1344 WeakPolarHBondContact O-CB 3.29Å; E1340-D1344 PolarHBondContact O-N 3.1Å; D1341-D1344 PolarHBondContact O-N 3.28Å; D1344-V1347 PolarHBondContact O-N 3Å; D1344-K1348 WeakPolarHBondContact O-CB 3.37Å; D1344-K1348 VanDerWaalsContact O-CD 3.28Å; D1344-K1348 WeakPolarHBondContact O-CD 3.36Å; D1344-K1348 WeakPolarHBondContact O-CG 3.41Å; D1344-K1348 PolarHBondContact O-N 3.22Å; D1344-K1348 WeakPolarHBondContact OD2-CE 3.47Å; D1344-K1348 IonicContact OD2-NZ 2.64Å; D1344-K1348 PolarHBondContact OD2-NZ 3.45Å |
| 1345 | E | 60 | Low | 51.8 | Low | 96 Ų | 96 | 80.8 Ų | 80.8 | 45% | 0.449 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.6 | -36.1 | 173.7 | -156 | -153.4 | -170.1 | 0 | 0 | 111.8 | D1341 K1348 K1349 | D1341-E1345 VanDerWaalsContact O-CB 3.25Å; D1341-E1345 WeakPolarHBondContact O-CB 3.47Å; D1341-E1345 PolarHBondContact O-N 3.39Å; E1345-K1348 PolarHBondContact O-N 2.87Å; E1345-K1349 HydrophobicContact CG-CD 4.28Å; E1345-K1349 VanDerWaalsContact O-CB 3.29Å; E1345-K1349 WeakPolarHBondContact O-CB 3.39Å; E1345-K1349 VanDerWaalsContact O-CG 3.23Å; E1345-K1349 WeakPolarHBondContact O-CG 3.18Å; E1345-K1349 PolarHBondContact O-N 3.26Å; E1345-K1349 WeakPolarHBondContact OE1-CE 3.45Å; E1345-K1349 IonicContact OE1-NZ 2.87Å; E1345-K1349 PolarHBondContact OE1-NZ 3.25Å; E1345-K1349 WeakPolarHBondContact OE2-CE 3.41Å; E1345-K1349 IonicContact OE2-NZ 3.27Å; E1345-K1349 PolarHBondContact OE2-NZ 3.38Å |
| 1346 | L | 55.2 | Low | 51.8 | Low | 11 Ų | 11 | 84.6 Ų | 84.6 | 6% | 0.058 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 174.8 | -153.7 | 169.8 | 0 | 0 | 0 | 110.8 | L1298 C1301 I1303 C1342 M1343 K1349 L1350 | L1298-L1346 HydrophobicContact CD2-CD2 3.92Å; C1301-L1346 HydrophobicContact CB-CD1 3.69Å; C1301-L1346 HydrophobicContact CB-CG 4.34Å; I1303-L1346 HydrophobicContact CD1-CD1 3.89Å; C1342-L1346 WeakPolarHBondContact O-CB 3.33Å; C1342-L1346 PolarHBondContact O-N 2.72Å; M1343-L1346 WeakPolarHBondContact O-CB 3.38Å; M1343-L1346 PolarHBondContact O-N 3.41Å; L1346-K1349 PolarHBondContact O-N 2.93Å; L1346-L1350 HydrophobicContact CD2-CD1 3.6Å; L1346-L1350 HydrophobicContact CD2-CG 4.2Å; L1346-L1350 WeakPolarHBondContact O-CB 3.15Å; L1346-L1350 PolarHBondContact O-N 2.8Å |
| 1347 | V | 58.4 | Low | 51.9 | Low | 44 Ų | 44 | 83.6 Ų | 83.6 | 27% | 0.267 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 172 | 171 | 0 | 0 | 0 | 0 | 111.2 | T1270 M1343 D1344 K1349 L1350 L1351 | T1270-V1347 HydrophobicContact CG2-CG2 4.36Å; M1343-V1347 WeakPolarHBondContact O-CG2 3.43Å; M1343-V1347 PolarHBondContact O-N 3.47Å; D1344-V1347 PolarHBondContact O-N 3Å; V1347-K1349 VanDerWaalsContact C-N 3.33Å; V1347-K1349 PolarHBondContact O-N 3.48Å; V1347-L1350 WeakPolarHBondContact O-CB 3.45Å; V1347-L1350 PolarHBondContact O-N 2.79Å; V1347-L1351 HydrophobicContact CG1-CD1 3.94Å; V1347-L1351 HydrophobicContact CG1-CG 4.49Å; V1347-L1351 WeakPolarHBondContact O-CB 3.15Å; V1347-L1351 VanDerWaalsContact O-CG 3.31Å; V1347-L1351 WeakPolarHBondContact O-CG 3.44Å; V1347-L1351 PolarHBondContact O-N 2.77Å |
| 1348 | K | 62.3 | Low | 51.5 | Low | 111 Ų | 111 | 83.3 Ų | 83.3 | 48% | 0.483 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.5 | -36 | 174.9 | -73.5 | 158.6 | -178.5 | 154.3 | 0 | 112.3 | D1344 E1345 N1352 | D1344-K1348 WeakPolarHBondContact O-CB 3.37Å; D1344-K1348 VanDerWaalsContact O-CD 3.28Å; D1344-K1348 WeakPolarHBondContact O-CD 3.36Å; D1344-K1348 WeakPolarHBondContact O-CG 3.41Å; D1344-K1348 PolarHBondContact O-N 3.22Å; D1344-K1348 WeakPolarHBondContact OD2-CE 3.47Å; D1344-K1348 IonicContact OD2-NZ 2.64Å; D1344-K1348 PolarHBondContact OD2-NZ 3.45Å; E1345-K1348 PolarHBondContact O-N 2.87Å; K1348-N1352 WeakPolarHBondContact O-CB 3.47Å; K1348-N1352 VanDerWaalsContact O-CG 3.29Å; K1348-N1352 PolarHBondContact O-N 3.3Å; K1348-N1352 PolarHBondContact O-ND2 3.46Å |
| 1349 | K | 56.8 | Low | 50.8 | Low | 91 Ų | 91 | 88.9 Ų | 88.9 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.4 | -39.9 | 174.6 | -77.7 | 166.9 | 178.5 | 170.3 | 0 | 112.1 | E1345 L1346 V1347 N1352 E1353 | E1345-K1349 HydrophobicContact CG-CD 4.28Å; E1345-K1349 VanDerWaalsContact O-CB 3.29Å; E1345-K1349 WeakPolarHBondContact O-CB 3.39Å; E1345-K1349 VanDerWaalsContact O-CG 3.23Å; E1345-K1349 WeakPolarHBondContact O-CG 3.18Å; E1345-K1349 PolarHBondContact O-N 3.26Å; E1345-K1349 WeakPolarHBondContact OE1-CE 3.45Å; E1345-K1349 IonicContact OE1-NZ 2.87Å; E1345-K1349 PolarHBondContact OE1-NZ 3.25Å; E1345-K1349 WeakPolarHBondContact OE2-CE 3.41Å; E1345-K1349 IonicContact OE2-NZ 3.27Å; E1345-K1349 PolarHBondContact OE2-NZ 3.38Å; L1346-K1349 PolarHBondContact O-N 2.93Å; V1347-K1349 VanDerWaalsContact C-N 3.33Å; V1347-K1349 PolarHBondContact O-N 3.48Å; K1349-N1352 PolarHBondContact O-N 2.93Å; K1349-E1353 PolarHBondContact O-N 3.1Å |
| 1350 | L | 51.3 | Low | 50 | Low | 50 Ų | 50 | 90.8 Ų | 90.8 | 26% | 0.262 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 170.6 | -83.5 | 160.8 | 0 | 0 | 0 | 111.7 | L1294 L1346 V1347 N1352 E1353 V1354 | L1294-L1350 HydrophobicContact CD1-CD2 3.76Å; L1294-L1350 HydrophobicContact CD2-CD2 4.37Å; L1346-L1350 HydrophobicContact CD2-CD1 3.6Å; L1346-L1350 HydrophobicContact CD2-CG 4.2Å; L1346-L1350 WeakPolarHBondContact O-CB 3.15Å; L1346-L1350 PolarHBondContact O-N 2.8Å; V1347-L1350 WeakPolarHBondContact O-CB 3.45Å; V1347-L1350 PolarHBondContact O-N 2.79Å; L1350-N1352 VanDerWaalsContact C-N 3.28Å; L1350-N1352 PolarHBondContact O-N 3.3Å; L1350-E1353 PolarHBondContact O-N 3.33Å; L1350-V1354 WeakPolarHBondContact O-CB 3.4Å; L1350-V1354 VanDerWaalsContact O-CG2 3.3Å; L1350-V1354 WeakPolarHBondContact O-CG2 3.48Å; L1350-V1354 PolarHBondContact O-N 2.91Å |
| 1351 | L | 52.7 | Low | 49.1 | Very low | 66 Ų | 66 | 90.5 Ų | 90.5 | 35% | 0.346 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.3 | -37.5 | 174.9 | -71.9 | 166.2 | 0 | 0 | 0 | 112 | V1347 S1355 F1370 | V1347-L1351 HydrophobicContact CG1-CD1 3.94Å; V1347-L1351 HydrophobicContact CG1-CG 4.49Å; V1347-L1351 WeakPolarHBondContact O-CB 3.15Å; V1347-L1351 VanDerWaalsContact O-CG 3.31Å; V1347-L1351 WeakPolarHBondContact O-CG 3.44Å; V1347-L1351 PolarHBondContact O-N 2.77Å; L1351-S1355 VanDerWaalsContact O-CB 3.29Å; L1351-S1355 WeakPolarHBondContact O-CB 3.4Å; L1351-S1355 PolarHBondContact O-N 2.76Å; L1351-S1355 PolarHBondContact O-OG 2.71Å; L1351-F1370 HydrophobicContact CD2-CD1 4.32Å; L1351-F1370 HydrophobicContact CD2-CD2 3.69Å; L1351-F1370 HydrophobicContact CD2-CE1 4.29Å; L1351-F1370 HydrophobicContact CD2-CE2 3.66Å; L1351-F1370 HydrophobicContact CD2-CG 4.04Å; L1351-F1370 HydrophobicContact CD2-CZ 3.97Å |
| 1352 | N | 55.8 | Low | 47.9 | Very low | 89 Ų | 89 | 93.1 Ų | 93.1 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.1 | -42.6 | 175.2 | -80.1 | -24.9 | 0 | 0 | 0 | 113.3 | K1348 K1349 L1350 V1354 S1355 N1356 | K1348-N1352 WeakPolarHBondContact O-CB 3.47Å; K1348-N1352 VanDerWaalsContact O-CG 3.29Å; K1348-N1352 PolarHBondContact O-N 3.3Å; K1348-N1352 PolarHBondContact O-ND2 3.46Å; K1349-N1352 PolarHBondContact O-N 2.93Å; L1350-N1352 VanDerWaalsContact C-N 3.28Å; L1350-N1352 PolarHBondContact O-N 3.3Å; N1352-V1354 VanDerWaalsContact C-N 3.32Å; N1352-V1354 PolarHBondContact O-N 2.67Å; N1352-S1355 WeakPolarHBondContact CA-OG 3.28Å; N1352-S1355 PolarHBondContact O-N 3.24Å; N1352-S1355 PolarHBondContact O-OG 2.7Å; N1352-N1356 VanDerWaalsContact O-CB 3.23Å; N1352-N1356 WeakPolarHBondContact O-CB 3.31Å; N1352-N1356 VanDerWaalsContact O-CG 3.29Å; N1352-N1356 PolarHBondContact O-N 2.81Å; N1352-N1356 PolarHBondContact O-ND2 3.02Å |
| 1353 | E | 52.7 | Low | 46.6 | Very low | 55 Ų | 55 | 96.4 Ų | 96.4 | 26% | 0.257 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.5 | -33.7 | 175.3 | -83 | -138.1 | 138.7 | 0 | 0 | 112.6 | L1294 H1297 K1349 L1350 | L1294-E1353 VanDerWaalsContact CD1-OE2 3.32Å; L1294-E1353 WeakPolarHBondContact CD1-OE2 3.46Å; H1297-E1353 IonicContact ND1-OE1 2.99Å; K1349-E1353 PolarHBondContact O-N 3.1Å; L1350-E1353 PolarHBondContact O-N 3.33Å |
| 1354 | V | 43.1 | Very low | 45.4 | Very low | 82 Ų | 82 | 102.9 Ų | 102.9 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.9 | -39.8 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | L1350 N1352 | L1350-V1354 WeakPolarHBondContact O-CB 3.4Å; L1350-V1354 VanDerWaalsContact O-CG2 3.3Å; L1350-V1354 WeakPolarHBondContact O-CG2 3.48Å; L1350-V1354 PolarHBondContact O-N 2.91Å; N1352-V1354 VanDerWaalsContact C-N 3.32Å; N1352-V1354 PolarHBondContact O-N 2.67Å |
| 1355 | S | 42.6 | Very low | 44 | Very low | 43 Ų | 43 | 106 Ų | 106 | 30% | 0.301 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -82.1 | -30.1 | -177.9 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | L1351 N1352 K1357 K1358 | L1351-S1355 VanDerWaalsContact O-CB 3.29Å; L1351-S1355 WeakPolarHBondContact O-CB 3.4Å; L1351-S1355 PolarHBondContact O-N 2.76Å; L1351-S1355 PolarHBondContact O-OG 2.71Å; N1352-S1355 WeakPolarHBondContact CA-OG 3.28Å; N1352-S1355 PolarHBondContact O-N 3.24Å; N1352-S1355 PolarHBondContact O-OG 2.7Å; S1355-K1357 VanDerWaalsContact C-N 3.3Å; S1355-K1357 PolarHBondContact O-N 2.73Å; S1355-K1358 WeakPolarHBondContact O-CD 3.4Å; S1355-K1358 VanDerWaalsContact O-CG 3.27Å; S1355-K1358 WeakPolarHBondContact O-CG 3.44Å |
| 1356 | N | 45.5 | Very low | 42.5 | Very low | 122 Ų | 122 | 109.1 Ų | 109.1 | 65% | 0.652 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -6.9 | -174.8 | -79 | -48.1 | 0 | 0 | 0 | 115.5 | N1352 K1358 | N1352-N1356 VanDerWaalsContact O-CB 3.23Å; N1352-N1356 WeakPolarHBondContact O-CB 3.31Å; N1352-N1356 VanDerWaalsContact O-CG 3.29Å; N1352-N1356 PolarHBondContact O-N 2.81Å; N1352-N1356 PolarHBondContact O-ND2 3.02Å; N1356-K1358 VanDerWaalsContact C-N 3.35Å |
| 1357 | K | 42.1 | Very low | 41.3 | Very low | 138 Ų | 138 | 115.7 Ų | 115.7 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 12 | 178.6 | -71.4 | 177.1 | -178.6 | 161.6 | 0 | 114.7 | S1355 H1359 | S1355-K1357 VanDerWaalsContact C-N 3.3Å; S1355-K1357 PolarHBondContact O-N 2.73Å; K1357-H1359 PolarHBondContact O-N 2.98Å |
| 1358 | K | 35.3 | Very low | 39.9 | Very low | 165 Ų | 165 | 116.8 Ų | 116.8 | 72% | 0.717 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 6 | -173.1 | -83.7 | 178.4 | 176.5 | -176.7 | 0 | 117.8 | S1355 N1356 | S1355-K1358 WeakPolarHBondContact O-CD 3.4Å; S1355-K1358 VanDerWaalsContact O-CG 3.27Å; S1355-K1358 WeakPolarHBondContact O-CG 3.44Å; N1356-K1358 VanDerWaalsContact C-N 3.35Å |
| 1359 | H | 33 | Very low | 38.6 | Very low | 180 Ų | 180 | 116.3 Ų | 116.3 | 83% | 0.833 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 7.4 | -162.7 | -87.3 | -60.8 | 0 | 0 | 0 | 118.5 | K1357 | K1357-H1359 PolarHBondContact O-N 2.98Š|
| 1360 | T | 34 | Very low | 37.4 | Very low | 119 Ų | 119 | 116 Ų | 116 | 73% | 0.73 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -135.8 | 117.2 | -179 | 50.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1361 | S | 30.8 | Very low | 36.5 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 88% | 0.881 | 61% | 0.608 | S | S | * | * | trans | 64.7 | 150.4 | 160.9 | 51.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1362 | E | 29 | Very low | 35.3 | Very low | 188 Ų | 188 | 125.1 Ų | 125.1 | 88% | 0.879 | 63% | 0.629 | S | S | * | * | trans | -93.6 | 163.4 | -164 | -59.8 | 174.5 | 113.5 | 0 | 0 | 114.6 | ||||
| 1363 | S | 27.7 | Very low | 33.9 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 83 | 125.1 | 171.9 | 79.5 | 0 | 0 | 0 | 0 | 118.4 | ||
| 1364 | Q | 28.2 | Very low | 32.7 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 88% | 0.879 | 67% | 0.673 | S | S | * | * | trans | 48.9 | 62.5 | 165.2 | -58.2 | -166 | 21.1 | 0 | 0 | 118.5 | ||||
| 1365 | K | 28.6 | Very low | 31.9 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 65% | 0.648 | 69% | 0.686 | S | S | * | * | trans | -124.3 | 143 | 151.6 | -67.9 | -169.5 | 175.8 | -179.5 | 0 | 110.6 | D1261 | D1261-K1365 WeakPolarHBondContact OD1-CE 3.46Å; D1261-K1365 IonicContact OD1-NZ 2.88Å; D1261-K1365 PolarHBondContact OD1-NZ 2.84Å | ||
| 1366 | R | 28.4 | Very low | 31.2 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 62% | 0.615 | 71% | 0.712 | S | S | * | * | trans | -110.7 | 160.1 | -168.2 | -65.4 | 176.3 | -177.8 | 177.5 | 3.2 | 110 | D1265 | D1265-R1366 VanDerWaalsContact CG-CD 3.43Å; D1265-R1366 WeakPolarHBondContact OD1-CB 3.4Å; D1265-R1366 WeakPolarHBondContact OD1-CD 3.39Å; D1265-R1366 WeakPolarHBondContact OD2-CD 3.41Å; D1265-R1366 IonicContact OD2-CZ 2.59Å; D1265-R1366 IonicContact OD2-NE 3.91Å; D1265-R1366 IonicContact OD2-NH1 3.86Å; D1265-R1366 PolarHBondContact OD2-NH1 2.7Å | ||
| 1367 | E | 28.3 | Very low | 30.4 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | trans | -97.5 | 138.4 | -172.1 | -61.4 | 174.7 | 130.2 | 0 | 0 | 111.1 | I1369 | E1367-I1369 HydrophobicContact CB-CG1 4.28Å; E1367-I1369 PolarHBondContact O-N 2.69Å | ||
| 1368 | L | 30.7 | Very low | 29.6 | Very low | 67 Ų | 67 | 143 Ų | 143 | 35% | 0.351 | 74% | 0.735 | S | S | . | * | trans | -74.2 | 108.4 | 154.1 | -83.1 | 89.9 | 0 | 0 | 0 | 106.8 | G1266 F1370 | G1266-L1368 WeakPolarHBondContact O-CG 3.44Å; L1368-F1370 HydrophobicContact CB-CE2 4.09Å | ||
| 1369 | I | 34 | Very low | 29.1 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 52% | 0.518 | 74% | 0.741 | S | S | . | * | trans | -85.5 | 113.4 | 177 | -55 | 177.5 | 0 | 0 | 0 | 107.9 | E1367 H1371 | E1367-I1369 HydrophobicContact CB-CG1 4.28Å; E1367-I1369 PolarHBondContact O-N 2.69Å; I1369-H1371 VanDerWaalsContact CG2-CD2 3.44Å; I1369-H1371 WeakPolarHBondContact CG2-CD2 3.5Å | ||
| 1370 | F | 32 | Very low | 28.7 | Very low | 84 Ų | 84 | 139.6 Ų | 139.6 | 37% | 0.368 | 74% | 0.74 | S | S | . | * | trans | -86 | 123 | 169.1 | -66.6 | -96.3 | 0 | 0 | 0 | 108.3 | V1268 L1351 L1368 | V1268-F1370 HydrophobicContact CB-CE1 4.39Å; L1351-F1370 HydrophobicContact CD2-CD1 4.32Å; L1351-F1370 HydrophobicContact CD2-CD2 3.69Å; L1351-F1370 HydrophobicContact CD2-CE1 4.29Å; L1351-F1370 HydrophobicContact CD2-CE2 3.66Å; L1351-F1370 HydrophobicContact CD2-CG 4.04Å; L1351-F1370 HydrophobicContact CD2-CZ 3.97Å; L1368-F1370 HydrophobicContact CB-CE2 4.09Å | ||
| 1371 | H | 31.8 | Very low | 28.2 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | trans | -122.7 | 106.2 | 176 | -94.8 | -64.8 | 0 | 0 | 0 | 110 | I1369 | I1369-H1371 VanDerWaalsContact CG2-CD2 3.44Å; I1369-H1371 WeakPolarHBondContact CG2-CD2 3.5Å | ||
| 1372 | D | 28.1 | Very low | 28 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | trans | -74.9 | 155.5 | 154.4 | -58.7 | -50.8 | 0 | 0 | 0 | 109 | ||||
| 1373 | N | 25.9 | Very low | 27.8 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | 81.6 | 80 | -168.6 | -52.8 | -25.4 | 0 | 0 | 0 | 115.7 | ||||
| 1374 | L | 27 | Very low | 27.9 | Very low | 160 Ų | 160 | 146.1 Ų | 146.1 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | -143.7 | 67.1 | 155.3 | -96.9 | -179.8 | 0 | 0 | 0 | 109.5 | ||||
| 1375 | D | 27.7 | Very low | 27.7 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | -132.5 | 160.3 | 168.8 | -72.6 | -61.5 | 0 | 0 | 0 | 108.9 | ||||
| 1376 | E | 28 | Very low | 27.5 | Very low | 182 Ų | 182 | 142 Ų | 142 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | 59.1 | 79.5 | 177.2 | -59.8 | -163.5 | -179 | 0 | 0 | 118.8 | ||||
| 1377 | T | 27 | Very low | 27.4 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | -151.6 | 27.2 | 122.7 | 2.6 | 0 | 0 | 0 | 0 | 113.7 | N1379 | T1377-N1379 PolarHBondContact O-N 2.79Š| |||
| 1378 | S | 25.4 | Very low | 27.6 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | -77.3 | 99.8 | 168.7 | -58.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1379 | N | 24.8 | Very low | 27.4 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -159.9 | 80.3 | 162.1 | -114.3 | -36.6 | 0 | 0 | 0 | 113.3 | T1377 | T1377-N1379 PolarHBondContact O-N 2.79Š| ||
| 1380 | S | 24.6 | Very low | 27.1 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -161.9 | 107.9 | 159.5 | -79.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1381 | L | 24.8 | Very low | 26.9 | Very low | 171 Ų | 171 | 146 Ų | 146 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | 72.3 | 78.1 | 167.1 | -52.8 | 170.6 | 0 | 0 | 0 | 117.3 | ||||
| 1382 | E | 26.4 | Very low | 26.8 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -112.6 | 153.2 | 135.1 | -77.1 | -169.4 | 167.1 | 0 | 0 | 109.4 | ||||
| 1383 | L | 24.5 | Very low | 27.3 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -119.5 | 114.6 | -179.9 | -87.3 | 163.1 | 0 | 0 | 0 | 109.2 | ||||
| 1384 | I | 29 | Very low | 27.3 | Very low | 158 Ų | 158 | 144 Ų | 144 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -132.9 | 146.4 | 165.8 | -61.3 | -175.2 | 0 | 0 | 0 | 108.9 | ||||
| 1385 | N | 25.7 | Very low | 27.3 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -98.9 | 159.2 | -163.4 | -72.3 | -42.1 | 0 | 0 | 0 | 114.9 | ||||
| 1386 | C | 24.7 | Very low | 27.4 | Very low | 111 Ų | 111 | 140 Ų | 140 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | trans | 60.7 | 103.9 | 146.1 | -67.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1387 | E | 26 | Very low | 27.4 | Very low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | 61.2 | 162.6 | 109.9 | -83.3 | -175.8 | -151.5 | 0 | 0 | 122.3 | |||||
| 1388 | P | 32.7 | Very low | 27.5 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | cis | -133.8 | 176 | -3.6 | 29.5 | -7 | 0 | 0 | 0 | 117.1 | ||||
| 1389 | T | 25.8 | Very low | 27.8 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 68.6 | 120.2 | 148.7 | 41.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 1390 | S | 26.9 | Very low | 27.9 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | 108.2 | 121.1 | 122 | 77.7 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1391 | N | 28.3 | Very low | 28.6 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 70.9 | 98.2 | 140.4 | -57.6 | 5.2 | 0 | 0 | 0 | 122.3 | ||||
| 1392 | E | 28.8 | Very low | 28.8 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | 46.2 | 157.9 | 104.4 | -71.4 | -159.1 | 148.9 | 0 | 0 | 122.6 | |||||
| 1393 | P | 38.8 | Very low | 28.9 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 62% | 0.623 | 74% | 0.743 | S | S | * | * | cis | -141.3 | -135.8 | -42.8 | 41.7 | -22.5 | 0 | 0 | 0 | 111.2 | ||||
| 1394 | L | 26.8 | Very low | 29.1 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | 84.3 | 143.7 | 169 | -52.2 | 169.4 | 0 | 0 | 0 | 117.3 | ||||
| 1395 | I | 27.2 | Very low | 29 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | cis | -162.1 | 152.5 | -33.3 | -129.9 | 177.3 | 0 | 0 | 0 | 108.7 | ||||
| 1396 | G | 29.6 | Very low | 29.1 | Very low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | 80.2 | 157.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1397 | E | 28 | Very low | 29.1 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | cis | -166.3 | 169 | -20.9 | -137.7 | 166.8 | -168.2 | 0 | 0 | 112.6 | ||||
| 1398 | E | 28.7 | Very low | 29.2 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | trans | 72.9 | 125.2 | 150 | -69.3 | -140.5 | 125.3 | 0 | 0 | 125.2 | ||||
| 1399 | N | 31.1 | Very low | 28.8 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 60% | 0.599 | 72% | 0.719 | S | S | * | * | 91.9 | 70.6 | 127.1 | -71.5 | -30.1 | 0 | 0 | 0 | 125.4 | |||||
| 1400 | M | 27.5 | Very low | 28.8 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 80% | 0.798 | 72% | 0.715 | S | S | * | * | 79.2 | 150.4 | 106.3 | -77.9 | -80.1 | 109.1 | 0 | 0 | 122.8 | |||||
| 1401 | P | 40.3 | Very low | 28.7 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 60% | 0.597 | 72% | 0.716 | S | S | * | * | trans | -117.7 | -172.4 | -174.9 | 45.1 | -34.7 | 0 | 0 | 0 | 114.1 | ||||
| 1402 | K | 28.4 | Very low | 28.6 | Very low | 174 Ų | 174 | 141 Ų | 141 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | trans | -167 | 121.2 | 147.9 | -100.6 | 132.8 | -163.7 | 166.8 | 0 | 116.8 | ||||
| 1403 | Q | 28.4 | Very low | 28.7 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | 58.8 | 156.8 | 127.1 | -51.6 | -175.4 | 19.2 | 0 | 0 | 120.6 | |||||
| 1404 | S | 27.8 | Very low | 28.3 | Very low | 80 Ų | 80 | 140.8 Ų | 140.8 | 56% | 0.559 | 72% | 0.724 | S | S | * | * | cis | -165.5 | 153.8 | 22.4 | -16.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1405 | K | 27.8 | Very low | 28.4 | Very low | 159 Ų | 159 | 141 Ų | 141 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | trans | 69.4 | 151.8 | 134 | -65.4 | 157.6 | -157.1 | 140.9 | 0 | 120.2 | ||||
| 1406 | K | 27.1 | Very low | 28.5 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 73% | 0.726 | 71% | 0.707 | S | S | * | * | cis | -173.9 | 134.8 | -26.3 | -114.7 | 179.1 | -169.2 | 170.9 | 0 | 110.7 | ||||
| 1407 | K | 26.1 | Very low | 28.6 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | 66.4 | 172.5 | 154.2 | -54.5 | -176.8 | 172.4 | -172.6 | 0 | 115.7 | ||||
| 1408 | K | 26.6 | Very low | 28.9 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | cis | -162.5 | 154.8 | 15 | -151.6 | -173.8 | -179.8 | -173.3 | 0 | 113.6 | ||||
| 1409 | T | 25.3 | Very low | 28.8 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 61% | 0.613 | 70% | 0.697 | S | S | * | * | trans | 66.3 | 107.4 | 146.5 | 31.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1410 | T | 25.1 | Very low | 28.8 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 68% | 0.681 | 70% | 0.701 | S | S | * | * | 55.4 | 126.7 | 117.5 | 60.5 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1411 | T | 25.1 | Very low | 28.9 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | trans | 52.7 | 122.8 | 135.4 | 65.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 1412 | K | 27.1 | Very low | 28.5 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 85% | 0.848 | 71% | 0.705 | S | S | * | * | -164.6 | 157.8 | 91.4 | -108.1 | 176.5 | -177.7 | 176.5 | 0 | 114.6 | |||||
| 1413 | T | 30.2 | Very low | 28.8 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | -63.4 | -172.2 | 167.8 | -10.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1414 | I | 30.3 | Very low | 29.3 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 72% | 0.718 | 69% | 0.693 | S | S | * | * | trans | 95.4 | 93.2 | 173.2 | -61.3 | 167.4 | 0 | 0 | 0 | 110.6 | ||||
| 1415 | K | 28.9 | Very low | 29.4 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 66% | 0.661 | 70% | 0.697 | S | S | * | * | 76 | 142 | 89.8 | -75.6 | 173 | 154.7 | -80.8 | 0 | 109.7 | |||||
| 1416 | E | 30 | Very low | 29.6 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 56% | 0.561 | 70% | 0.7 | S | S | * | * | cis | -173.2 | -167.9 | 2.3 | -108.8 | 156.6 | 178.5 | 0 | 0 | 103.5 | ||||
| 1417 | H | 31.4 | Very low | 29.5 | Very low | 152 Ų | 152 | 134 Ų | 134 | 70% | 0.704 | 70% | 0.697 | S | S | * | * | trans | 67.7 | 105.1 | 169.8 | -44.6 | -66.1 | 0 | 0 | 0 | 114.8 | ||||
| 1418 | S | 34.4 | Very low | 29.7 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 57% | 0.573 | 70% | 0.697 | S | S | * | * | cis | 54.4 | 163.6 | 11.1 | 79.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1419 | I | 26.4 | Very low | 29.7 | Very low | 142 Ų | 142 | 130 Ų | 130 | 73% | 0.728 | 69% | 0.694 | S | S | * | * | trans | 71 | 140 | 168.5 | -62.5 | 163 | 0 | 0 | 0 | 115.5 | ||||
| 1420 | V | 30.4 | Very low | 29.6 | Very low | 115 Ų | 115 | 136 Ų | 136 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | cis | -163.1 | -151.5 | -34.6 | 85.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1421 | T | 29.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 140 Ų | 140 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | trans | 78.7 | 133.8 | 170.7 | 82.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1422 | Q | 31.2 | Very low | 29.6 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | cis | -138.7 | 156.3 | 12.6 | -71.9 | 179.3 | -40.1 | 0 | 0 | 109.4 | ||||
| 1423 | Q | 35.9 | Very low | 29.6 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 57% | 0.565 | 72% | 0.719 | S | S | * | * | cis | -169.2 | 160 | -11.6 | -118.8 | 164.5 | -62.5 | 0 | 0 | 109.5 | ||||
| 1424 | H | 39.2 | Very low | 29.4 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 64% | 0.644 | 72% | 0.715 | S | S | * | * | trans | 60.2 | 151.4 | 150.8 | -62.9 | -51 | 0 | 0 | 0 | 121.7 | ||||
| 1425 | D | 29.3 | Very low | 29.5 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 65% | 0.647 | 71% | 0.71 | S | S | * | * | cis | -176.3 | 166.1 | -40.7 | -102.1 | 0.7 | 0 | 0 | 0 | 108.3 | ||||
| 1426 | D | 31.5 | Very low | 29.6 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | 56 | 172.6 | 142.4 | -82.3 | 20.9 | 0 | 0 | 0 | 123.1 | ||||
| 1427 | S | 26.2 | Very low | 29.8 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | cis | -168.1 | -164.7 | -46 | 67.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1428 | H | 28.9 | Very low | 29.6 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 80% | 0.801 | 72% | 0.722 | S | S | * | * | trans | -77.8 | 139.3 | -167.5 | -65.4 | -96.1 | 0 | 0 | 0 | 115.8 | ||||
| 1429 | S | 26 | Very low | 29.3 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 85.8 | 160.2 | 134.5 | 81 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1430 | R | 23.6 | Very low | 29.4 | Very low | 225 Ų | 225 | 144.7 Ų | 144.7 | 85% | 0.849 | 73% | 0.729 | S | S | * | * | trans | 87.8 | 94.7 | 160.2 | -64.5 | 173.2 | 176.8 | -169.8 | -1.2 | 120.7 | ||||
| 1431 | K | 26.4 | Very low | 29.3 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 85% | 0.848 | 73% | 0.728 | S | S | * | * | 38.1 | 112.3 | 125.1 | -60.5 | -179.6 | 176.5 | -178 | 0 | 119.9 | |||||
| 1432 | R | 23.8 | Very low | 29.1 | Very low | 238 Ų | 238 | 148.1 Ų | 148.1 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | 160.1 | 120.2 | 114.6 | -92 | 173 | 172.3 | 169.3 | -3.4 | 115.4 | |||||
| 1433 | K | 26.7 | Very low | 28.8 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | 54.6 | 137.8 | 125.1 | -98.5 | -167.4 | 164.2 | -156.1 | 0 | 123.3 | |||||
| 1434 | L | 27.8 | Very low | 28.3 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | 66.9 | 155 | 160.5 | -79.5 | 77.9 | 0 | 0 | 0 | 115.6 | ||||
| 1435 | T | 30.7 | Very low | 27.7 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | cis | -173.3 | 148 | -19.4 | 33.2 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1436 | D | 31.8 | Very low | 27.5 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | cis | -155.6 | -178.1 | -14.8 | -71.9 | -30.4 | 0 | 0 | 0 | 104.1 | ||||
| 1437 | L | 33.8 | Very low | 27.4 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | cis | -116.3 | -170.9 | 5.1 | -86.2 | 87.2 | 0 | 0 | 0 | 108.6 | ||||
| 1438 | D | 28.3 | Very low | 27.5 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | cis | 67.5 | 142.7 | 31.9 | -47.1 | -48.9 | 0 | 0 | 0 | 114.9 | ||||
| 1439 | E | 27.4 | Very low | 27.3 | Very low | 169 Ų | 169 | 144 Ų | 144 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | cis | -146 | 156.2 | 10.9 | -150.5 | 162.1 | -145.4 | 0 | 0 | 113 | ||||
| 1440 | S | 28.8 | Very low | 27.4 | Very low | 93 Ų | 93 | 145.1 Ų | 145.1 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | -77.6 | 142.4 | 167.6 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1441 | I | 27.8 | Very low | 27.8 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 68% | 0.677 | 72% | 0.716 | S | S | * | * | trans | -160.4 | 123 | 145.5 | -96.9 | 140.6 | 0 | 0 | 0 | 105.1 | ||||
| 1442 | Q | 25 | Very low | 27.9 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | 68.3 | 168.7 | 57.4 | -66.5 | -165.9 | -32.4 | 0 | 0 | 113.6 | |||||
| 1443 | S | 25.7 | Very low | 28.1 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | trans | 48.6 | 94.1 | 175 | 48.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1444 | S | 25.1 | Very low | 28.3 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | 67.1 | 147.1 | 58 | 85.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1445 | L | 26.4 | Very low | 28.5 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | trans | 72.4 | 130.4 | 168.7 | -55 | 165.4 | 0 | 0 | 0 | 111.2 | ||||
| 1446 | N | 26.6 | Very low | 28.5 | Very low | 121 Ų | 121 | 132 Ų | 132 | 65% | 0.647 | 71% | 0.706 | S | S | * | * | 83.7 | 145.8 | 99.2 | -74.6 | 40.3 | 0 | 0 | 0 | 112.2 | |||||
| 1447 | D | 27.8 | Very low | 28.5 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | cis | -147.1 | 173.4 | 1.5 | -109.8 | -28 | 0 | 0 | 0 | 111.2 | ||||
| 1448 | E | 28.1 | Very low | 28.4 | Very low | 154 Ų | 154 | 127.7 Ų | 127.7 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | trans | 40.7 | 125 | 139.8 | -63.7 | -179 | 158.3 | 0 | 0 | 122 | ||||
| 1449 | E | 26.3 | Very low | 28.4 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 70% | 0.696 | 69% | 0.688 | S | S | * | * | 62.4 | 109.7 | 122.1 | -59.5 | -150.4 | 148.5 | 0 | 0 | 120.9 | |||||
| 1450 | M | 27.9 | Very low | 28.6 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 62% | 0.616 | 69% | 0.688 | S | S | * | * | 97.5 | 176 | 96.6 | -77.2 | -172.8 | 71.3 | 0 | 0 | 112.6 | |||||
| 1451 | F | 31.4 | Very low | 28.6 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | trans | 53.4 | 131.7 | 170.9 | -63.8 | -87.2 | 0 | 0 | 0 | 118.4 | ||||
| 1452 | N | 27.8 | Very low | 28.8 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 68% | 0.679 | 70% | 0.696 | S | S | * | * | cis | 173.7 | 142.5 | -20.4 | -127.1 | -41.8 | 0 | 0 | 0 | 104.3 | ||||
| 1453 | S | 29.1 | Very low | 29.1 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | trans | 71.5 | 159 | 160.7 | 89.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 1454 | K | 31.7 | Very low | 29.2 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 79% | 0.787 | 71% | 0.712 | S | S | * | * | cis | -156.2 | 139.2 | 11.8 | -140.7 | 152.5 | -168 | 173.2 | 0 | 110.2 | ||||
| 1455 | S | 30.3 | Very low | 29.5 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | 60.2 | 149.4 | 162.7 | 51.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1456 | T | 32.3 | Very low | 29.5 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | cis | -152.2 | 141.4 | 18.2 | -30.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1457 | S | 31 | Very low | 29.8 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | trans | 50.5 | 129.3 | 158.4 | 59.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1458 | I | 30.8 | Very low | 29.8 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 47% | 0.467 | 72% | 0.72 | S | S | . | * | cis | -155.8 | 109.7 | 5.8 | -98.7 | 154.8 | 0 | 0 | 0 | 103.9 | V1484 | I1458-V1484 HydrophobicContact CD1-CB 3.96Å; I1458-V1484 HydrophobicContact CD1-CG1 4.02Å; I1458-V1484 HydrophobicContact CD1-CG2 4.36Å | ||
| 1459 | S | 30.2 | Very low | 29.9 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | 58.4 | 131.3 | 89.4 | 80.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1460 | K | 31 | Very low | 30 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | cis | -141.6 | 136.4 | 13 | -62.6 | 175.6 | -176.5 | 177.2 | 0 | 108 | ||||
| 1461 | S | 28.9 | Very low | 30.3 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | 54.7 | 126.2 | 66.6 | 70.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1462 | S | 32.2 | Very low | 30.1 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | cis | 80.9 | 112 | 24.2 | -46.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1463 | K | 30.6 | Very low | 30.1 | Very low | 208 Ų | 208 | 139.6 Ų | 139.6 | 90% | 0.904 | 73% | 0.729 | S | S | * | * | trans | 160 | 147.6 | 161.4 | -90.2 | 158.5 | -175.6 | -171.5 | 0 | 107.8 | ||||
| 1464 | R | 28.3 | Very low | 30.1 | Very low | 231 Ų | 231 | 141.5 Ų | 141.5 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | cis | 98.6 | 119.3 | 8.9 | -152.5 | -176.6 | -168 | -167.4 | 4.2 | 116.5 | ||||
| 1465 | K | 30.2 | Very low | 30.1 | Very low | 166 Ų | 166 | 140 Ų | 140 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | 91 | 120.1 | 170.8 | -65.9 | -159.8 | 172.2 | -162.2 | 0 | 120.2 | ||||
| 1466 | Q | 27.9 | Very low | 30 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 59% | 0.589 | 73% | 0.727 | S | S | * | * | 35.1 | 159 | 123.5 | -63.6 | 170.2 | -65.8 | 0 | 0 | 122 | |||||
| 1467 | P | 33.2 | Very low | 29.8 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | cis | -142.6 | -169.7 | -39.6 | 42.3 | -24.8 | 0 | 0 | 0 | 113.9 | ||||
| 1468 | R | 27.4 | Very low | 29.7 | Very low | 221 Ų | 221 | 142.3 Ų | 142.3 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | 76.6 | 126.9 | 159 | -75.3 | -176.2 | 178.8 | 173.5 | 0.1 | 121.3 | ||||
| 1469 | L | 28.7 | Very low | 29.5 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 71% | 0.707 | 73% | 0.734 | S | S | * | * | trans | 73.4 | 124.9 | 137.6 | -68.2 | 166.6 | 0 | 0 | 0 | 121.1 | ||||
| 1470 | D | 30.4 | Very low | 29.4 | Very low | 128 Ų | 128 | 150.1 Ų | 150.1 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | trans | 79.7 | 132.8 | 141.3 | -49.8 | -19.7 | 0 | 0 | 0 | 123 | ||||
| 1471 | D | 32.4 | Very low | 29.3 | Very low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | 61.5 | 104.7 | 152.3 | -57.5 | -7.9 | 0 | 0 | 0 | 123.1 | ||||
| 1472 | E | 28.3 | Very low | 29.3 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | 58.7 | 97.1 | 123.4 | -62 | -141.7 | 136.6 | 0 | 0 | 121.2 | |||||
| 1473 | T | 27.9 | Very low | 29.2 | Very low | 110 Ų | 110 | 149.6 Ų | 149.6 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | trans | 81.5 | 155.6 | 133.8 | 74.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1474 | N | 28.8 | Very low | 29.2 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | trans | 81 | 137.8 | 149.4 | -73.4 | -48.5 | 0 | 0 | 0 | 121.1 | ||||
| 1475 | L | 31.9 | Very low | 29.2 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | trans | 71.6 | 87.1 | 151.5 | -62.7 | 160.9 | 0 | 0 | 0 | 120.4 | ||||
| 1476 | L | 27.5 | Very low | 29 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | 46.3 | 135.5 | 109 | -75.9 | 160.5 | 0 | 0 | 0 | 121.8 | |||||
| 1477 | N | 28.7 | Very low | 28.9 | Very low | 124 Ų | 124 | 142 Ų | 142 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | trans | 97 | 124.8 | 138.6 | -69.9 | -14.9 | 0 | 0 | 0 | 123.4 | ||||
| 1478 | N | 29.3 | Very low | 28.5 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 67% | 0.674 | 71% | 0.708 | S | S | * | * | trans | 83.8 | 97.1 | 131.8 | -62.9 | -2.1 | 0 | 0 | 0 | 123.5 | ||||
| 1479 | D | 26.6 | Very low | 28.4 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | 76.9 | 165.5 | 114.6 | -100.3 | -29.4 | 0 | 0 | 0 | 124 | |||||
| 1480 | Y | 27.6 | Very low | 28 | Very low | 211 Ų | 211 | 137.9 Ų | 137.9 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | trans | 77.6 | 144.2 | 171.6 | -58.3 | -84 | 0 | 0 | 0 | 119.5 | ||||
| 1481 | M | 29 | Very low | 27.7 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 68% | 0.68 | 71% | 0.709 | S | S | * | * | cis | -177 | 146.9 | -38.8 | -112 | -76.4 | -179.3 | 0 | 0 | 110 | ||||
| 1482 | N | 29.4 | Very low | 27.3 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | trans | 64.5 | 161.8 | 156.1 | -71.8 | -40.2 | 0 | 0 | 0 | 118.8 | ||||
| 1483 | N | 29.7 | Very low | 27 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | cis | -159.2 | -175 | -7.5 | -126.7 | -42.1 | 0 | 0 | 0 | 111.1 | ||||
| 1484 | V | 29.1 | Very low | 26.8 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 48% | 0.479 | 71% | 0.709 | S | S | . | * | trans | 83.6 | 132.8 | 164.1 | 176.6 | 0 | 0 | 0 | 0 | 117.7 | I1458 | I1458-V1484 HydrophobicContact CD1-CB 3.96Å; I1458-V1484 HydrophobicContact CD1-CG1 4.02Å; I1458-V1484 HydrophobicContact CD1-CG2 4.36Å | ||
| 1485 | K | 28.3 | Very low | 26.4 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 73% | 0.73 | 71% | 0.711 | S | S | * | * | cis | -162.1 | 141.5 | -15.4 | -105.3 | 175.4 | -157.1 | 166.8 | 0 | 110.9 | ||||
| 1486 | I | 26.4 | Very low | 26.1 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 67% | 0.672 | 72% | 0.716 | S | S | * | * | trans | 58.5 | 131.3 | 138.8 | -59.8 | 170.2 | 0 | 0 | 0 | 118.5 | V1488 | I1486-V1488 HydrophobicContact CG1-CG2 4.3Å; I1486-V1488 HydrophobicContact CG2-CG2 4.23Å | ||
| 1487 | K | 26.5 | Very low | 25.8 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | cis | -115.6 | 129.9 | 23.7 | -64.5 | 173.8 | -179.2 | 166.2 | 0 | 111.6 | ||||
| 1488 | V | 24.2 | Very low | 25.4 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 60% | 0.6 | 72% | 0.72 | S | S | * | * | 67.2 | 114.8 | 60.2 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | I1486 | I1486-V1488 HydrophobicContact CG1-CG2 4.3Å; I1486-V1488 HydrophobicContact CG2-CG2 4.23Å | |||
| 1489 | K | 24.7 | Very low | 25.1 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 78% | 0.778 | 72% | 0.723 | S | S | * | * | cis | -128 | 128.1 | 14 | -88.5 | 115.9 | -174.8 | 177.4 | 0 | 110.3 | ||||
| 1490 | S | 22 | Very low | 25 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | 58.9 | 111.9 | 68.3 | 83.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1491 | K | 24 | Very low | 24.7 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | 168.4 | 126.3 | 130.9 | -95.9 | 168.2 | -174.8 | -179.7 | 0 | 111.1 | ||||
| 1492 | K | 23.6 | Very low | 24.6 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | trans | 48.6 | 136.5 | 135 | -60.7 | -170.8 | 177.9 | -164.8 | 0 | 118.8 | ||||
| 1493 | S | 22.4 | Very low | 24.4 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | cis | 170.5 | 164.6 | 1.9 | 49 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1494 | V | 22.2 | Very low | 24.3 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | trans | 68.1 | 118.2 | 161.2 | -178.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1495 | N | 22.1 | Very low | 24.1 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | trans | 15.5 | 122.4 | 140.5 | -42.4 | 3.2 | 0 | 0 | 0 | 117.5 | ||||
| 1496 | K | 24.1 | Very low | 24.1 | Very low | 205 Ų | 205 | 129 Ų | 129 | 89% | 0.891 | 70% | 0.699 | S | S | * | * | trans | -157.1 | 144.6 | 149.1 | -115.2 | 145.2 | -171.5 | 171.7 | 0 | 112.8 | ||||
| 1497 | L | 21.8 | Very low | 24.2 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 54% | 0.539 | 70% | 0.703 | S | S | . | * | trans | -59.2 | 157.5 | -176.5 | -79.5 | 58.2 | 0 | 0 | 0 | 112 | S1499 | L1497-S1499 PolarHBondContact O-N 3.47Š| ||
| 1498 | P | 20.4 | Very low | 24.6 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 88% | 0.883 | 68% | 0.68 | S | S | * | * | trans | -72.5 | 67 | 170.7 | 33.2 | -36.3 | 0 | 0 | 0 | 111.1 | S1500 | P1498-S1500 PolarHBondContact O-N 3.4Š| ||
| 1499 | S | 23.8 | Very low | 25.5 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | trans | -65.1 | 108.5 | 177.3 | 60.8 | 0 | 0 | 0 | 0 | 110.3 | L1497 F1501 | L1497-S1499 PolarHBondContact O-N 3.47Å; S1499-F1501 PolarHBondContact O-N 2.81Å | ||
| 1500 | S | 23.7 | Very low | 26.4 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 74% | 0.741 | 63% | 0.633 | S | S | * | * | trans | -45.4 | 118.8 | -176 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | P1498 | P1498-S1500 PolarHBondContact O-N 3.4Š| ||
| 1501 | F | 22.3 | Very low | 27.3 | Very low | 185 Ų | 185 | 111.6 Ų | 111.6 | 81% | 0.811 | 61% | 0.61 | S | S | * | * | trans | -138.9 | 66 | 166.5 | -132.1 | -85.4 | 0 | 0 | 0 | 110.4 | S1499 S1503 | S1499-F1501 PolarHBondContact O-N 2.81Å; F1501-S1503 PolarHBondContact O-N 3.12Å | ||
| 1502 | V | 26.4 | Very low | 27.9 | Very low | 120 Ų | 120 | 110.7 Ų | 110.7 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | trans | -61.1 | 108.4 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | L1504 | V1502-L1504 VanDerWaalsContact C-N 3.3Å; V1502-L1504 HydrophobicContact CG1-CD2 4.2Å; V1502-L1504 HydrophobicContact CG1-CG 4.29Å; V1502-L1504 PolarHBondContact O-N 3.21Å | ||
| 1503 | S | 24.1 | Very low | 28.6 | Very low | 90 Ų | 90 | 107.3 Ų | 107.3 | 63% | 0.629 | 60% | 0.597 | S | S | * | * | trans | -78.3 | 80.2 | -179.7 | -71.5 | 0 | 0 | 0 | 0 | 110.2 | F1501 N1505 | F1501-S1503 PolarHBondContact O-N 3.12Å; S1503-N1505 VanDerWaalsContact C-N 3.31Å; S1503-N1505 PolarHBondContact O-N 3.29Å; S1503-N1505 PolarHBondContact O-ND2 3.11Å | ||
| 1504 | L | 27.5 | Very low | 29.3 | Very low | 130 Ų | 130 | 105.4 Ų | 105.4 | 68% | 0.681 | 58% | 0.579 | S | S | * | * | trans | -55.9 | 83 | -178.5 | -72.5 | 167.1 | 0 | 0 | 0 | 113.1 | V1502 | V1502-L1504 VanDerWaalsContact C-N 3.3Å; V1502-L1504 HydrophobicContact CG1-CD2 4.2Å; V1502-L1504 HydrophobicContact CG1-CG 4.29Å; V1502-L1504 PolarHBondContact O-N 3.21Å | ||
| 1505 | N | 26.3 | Very low | 30.3 | Very low | 56 Ų | 56 | 101.4 Ų | 101.4 | 30% | 0.299 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -140.2 | 102.1 | 177.1 | -65.3 | -79.1 | 0 | 0 | 0 | 110.4 | K381 R382 S1503 E1507 | K381-N1505 WeakPolarHBondContact CE-OD1 3.32Å; R382-N1505 HydrophobicContact CB-CB 4.16Å; S1503-N1505 VanDerWaalsContact C-N 3.31Å; S1503-N1505 PolarHBondContact O-N 3.29Å; S1503-N1505 PolarHBondContact O-ND2 3.11Å; N1505-E1507 PolarHBondContact O-N 3.3Å; N1505-E1507 VanDerWaalsContact O-N 3.13Å |
| 1506 | G | 27.3 | Very low | 31.2 | Very low | 37 Ų | 37 | 101.3 Ų | 101.3 | 38% | 0.381 | 55% | 0.547 | S | S | . | . | S | Bend | trans | 83.1 | -18.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 1507 | E | 28.2 | Very low | 31.8 | Very low | 160 Ų | 160 | 101 Ų | 101 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | trans | -84.3 | 145.2 | 178.5 | -65.9 | -171.4 | -177.3 | 0 | 0 | 113 | N1505 | N1505-E1507 PolarHBondContact O-N 3.3Å; N1505-E1507 VanDerWaalsContact O-N 3.13Å | ||
| 1508 | N | 36.1 | Very low | 32.9 | Very low | 68 Ų | 68 | 98.5 Ų | 98.5 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | trans | -63.3 | 139 | -179.9 | -79.3 | -12.3 | 0 | 0 | 0 | 111.4 | F1510 S1511 V1628 | N1508-F1510 PolarHBondContact O-N 3.31Å; N1508-F1510 VanDerWaalsContact O-N 3.16Å; N1508-S1511 VanDerWaalsContact O-CB 3.27Å; N1508-S1511 WeakPolarHBondContact O-CB 3.3Å; N1508-S1511 PolarHBondContact O-N 3.36Å; N1508-V1628 WeakPolarHBondContact ND2-CG1 3.48Å | ||
| 1509 | I | 42.4 | Very low | 33.8 | Very low | 58 Ų | 58 | 96.8 Ų | 96.8 | 30% | 0.297 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -15.6 | 170.9 | -69.4 | 160.6 | 0 | 0 | 0 | 111.9 | R1683 | I1509-R1683 HydrophobicContact CD1-CB 3.99Å; I1509-R1683 HydrophobicContact CD1-CG 3.88Å |
| 1510 | F | 44.3 | Very low | 34.6 | Very low | 20 Ų | 20 | 98.8 Ų | 98.8 | 9% | 0.088 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 39.7 | 168.5 | -57.4 | -82.6 | 0 | 0 | 0 | 111.7 | N1508 V1628 L1637 | N1508-F1510 PolarHBondContact O-N 3.31Å; N1508-F1510 VanDerWaalsContact O-N 3.16Å; F1510-V1628 HydrophobicContact CB-CG2 4.37Å; F1510-L1637 HydrophobicContact CD2-CD1 4.28Å; F1510-L1637 HydrophobicContact CE2-CD1 4.48Å; F1510-L1637 HydrophobicContact CE2-CD2 4.47Å |
| 1511 | S | 40.3 | Very low | 35.3 | Very low | 27 Ų | 27 | 97.3 Ų | 97.3 | 19% | 0.189 | 48% | 0.479 | C | S | . | . | trans | -64.3 | 149.2 | 173.8 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | N1508 N1513 L1514 L1515 | N1508-S1511 VanDerWaalsContact O-CB 3.27Å; N1508-S1511 WeakPolarHBondContact O-CB 3.3Å; N1508-S1511 PolarHBondContact O-N 3.36Å; S1511-N1513 PolarHBondContact O-N 2.85Å; S1511-L1514 PolarHBondContact O-N 3.41Å; S1511-L1515 PolarHBondContact O-N 3.32Å | ||
| 1512 | K | 37.4 | Very low | 35.9 | Very low | 164 Ų | 164 | 89.6 Ų | 89.6 | 71% | 0.713 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -51.6 | -33.7 | -178.2 | -116 | 168 | -179.1 | 162.7 | 0 | 113.5 | K1516 | K1512-K1516 WeakPolarHBondContact O-CG 3.26Å; K1512-K1516 PolarHBondContact O-N 3.22Å |
| 1513 | N | 37 | Very low | 36.3 | Very low | 122 Ų | 122 | 87.5 Ų | 87.5 | 65% | 0.652 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -71.8 | -34.2 | 177 | -66.3 | -19.1 | 0 | 0 | 0 | 113.3 | S1511 R1517 | S1511-N1513 PolarHBondContact O-N 2.85Å; N1513-R1517 PolarHBondContact O-N 2.95Å |
| 1514 | L | 38.3 | Very low | 36.7 | Very low | 59 Ų | 59 | 87 Ų | 87 | 31% | 0.309 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -82.5 | -33.3 | 177 | -156 | 150.6 | 0 | 0 | 0 | 110.7 | S1511 R1517 Y1518 | S1511-L1514 PolarHBondContact O-N 3.41Å; L1514-R1517 PolarHBondContact O-N 3.28Å; L1514-Y1518 HydrophobicContact CD2-CD2 3.68Å; L1514-Y1518 HydrophobicContact CD2-CE2 3.63Å; L1514-Y1518 VanDerWaalsContact O-CD2 3.28Å; L1514-Y1518 WeakPolarHBondContact O-CD2 3.4Å; L1514-Y1518 PolarHBondContact O-N 3.45Å |
| 1515 | L | 41.6 | Very low | 36.8 | Very low | 33 Ų | 33 | 87.1 Ų | 87.1 | 17% | 0.173 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 166.7 | -102.3 | 163.2 | 0 | 0 | 0 | 111.7 | S1511 R1517 Y1518 E1519 T1621 | S1511-L1515 PolarHBondContact O-N 3.32Å; L1515-R1517 VanDerWaalsContact C-N 3.32Å; L1515-R1517 PolarHBondContact O-N 2.91Å; L1515-Y1518 CarbonylContact O-C 3.55Å; L1515-Y1518 WeakPolarHBondContact O-CA 3.37Å; L1515-Y1518 WeakPolarHBondContact O-CB 3.04Å; L1515-Y1518 PolarHBondContact O-N 3.17Å; L1515-E1519 PolarHBondContact O-N 3.07Å; L1515-T1621 HydrophobicContact CD2-CG2 4.13Å |
| 1516 | K | 41.6 | Very low | 36.9 | Very low | 144 Ų | 144 | 92.1 Ų | 92.1 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.2 | -35.6 | 173.7 | -81.3 | -170.3 | 170.8 | -164 | 0 | 114.5 | K1512 Y1518 E1519 K1520 | K1512-K1516 WeakPolarHBondContact O-CG 3.26Å; K1512-K1516 PolarHBondContact O-N 3.22Å; K1516-Y1518 VanDerWaalsContact C-N 3.28Å; K1516-E1519 WeakPolarHBondContact CA-OE2 3.39Å; K1516-E1519 WeakPolarHBondContact CG-OE2 3.25Å; K1516-K1520 PolarHBondContact O-N 2.82Å |
| 1517 | R | 36.7 | Very low | 36.8 | Very low | 197 Ų | 197 | 98.4 Ų | 98.4 | 74% | 0.743 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.9 | -30.6 | 170.7 | -72.4 | -176.6 | -178.1 | 179.6 | 0.8 | 112.3 | N1513 L1514 L1515 F1521 | N1513-R1517 PolarHBondContact O-N 2.95Å; L1514-R1517 PolarHBondContact O-N 3.28Å; L1515-R1517 VanDerWaalsContact C-N 3.32Å; L1515-R1517 PolarHBondContact O-N 2.91Å; R1517-F1521 WeakPolarHBondContact O-CB 3.32Å; R1517-F1521 PolarHBondContact O-N 2.98Å |
| 1518 | Y | 44.6 | Very low | 36.8 | Very low | 51 Ų | 51 | 98.6 Ų | 98.6 | 20% | 0.2 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -76.5 | -40.6 | 177.2 | -91 | -122 | 0 | 0 | 0 | 111.6 | L1514 L1515 K1516 K1520 F1521 M1522 I1675 K1679 | L1514-Y1518 HydrophobicContact CD2-CD2 3.68Å; L1514-Y1518 HydrophobicContact CD2-CE2 3.63Å; L1514-Y1518 VanDerWaalsContact O-CD2 3.28Å; L1514-Y1518 WeakPolarHBondContact O-CD2 3.4Å; L1514-Y1518 PolarHBondContact O-N 3.45Å; L1515-Y1518 CarbonylContact O-C 3.55Å; L1515-Y1518 WeakPolarHBondContact O-CA 3.37Å; L1515-Y1518 WeakPolarHBondContact O-CB 3.04Å; L1515-Y1518 PolarHBondContact O-N 3.17Å; K1516-Y1518 VanDerWaalsContact C-N 3.28Å; Y1518-K1520 PolarHBondContact O-N 3.43Å; Y1518-F1521 CarbonylContact O-C 3.46Å; Y1518-F1521 PolarHBondContact O-N 2.91Å; Y1518-M1522 WeakPolarHBondContact O-CB 3.45Å; Y1518-M1522 VanDerWaalsContact O-CG 3.3Å; Y1518-M1522 WeakPolarHBondContact O-CG 3.29Å; Y1518-M1522 PolarHBondContact O-N 3.08Å; Y1518-I1675 HydrophobicContact CD1-CG2 4.39Å; Y1518-I1675 HydrophobicContact CE1-CG2 3.45Å; Y1518-I1675 VanDerWaalsContact CE1-CG2 3.45Å; Y1518-K1679 HydrophobicContact CE1-CD 3.52Å; Y1518-K1679 VanDerWaalsContact CE1-NZ 3.31Å; Y1518-K1679 VanDerWaalsContact CZ-CE 3.48Å; Y1518-K1679 VanDerWaalsContact CZ-NZ 3.32Å; Y1518-K1679 VanDerWaalsContact OH-CD 3.28Å; Y1518-K1679 WeakPolarHBondContact OH-CD 3.2Å; Y1518-K1679 WeakPolarHBondContact OH-CE 3.45Å |
| 1519 | E | 39.7 | Very low | 36.3 | Very low | 100 Ų | 100 | 98.4 Ų | 98.4 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -52.1 | -53.6 | 169.2 | -71.7 | 174.9 | 110 | 0 | 0 | 110.5 | L1515 K1516 F1521 M1522 Y1523 | L1515-E1519 PolarHBondContact O-N 3.07Å; K1516-E1519 WeakPolarHBondContact CA-OE2 3.39Å; K1516-E1519 WeakPolarHBondContact CG-OE2 3.25Å; E1519-F1521 PolarHBondContact O-N 3.31Å; E1519-M1522 PolarHBondContact O-N 3.03Å; E1519-Y1523 WeakPolarHBondContact O-CD2 3.12Å; E1519-Y1523 PolarHBondContact O-N 2.97Å |
| 1520 | K | 40.2 | Very low | 35.5 | Very low | 147 Ų | 147 | 104.5 Ų | 104.5 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.7 | -2 | 178.1 | -126 | -169.5 | -170.3 | -147.9 | 0 | 115.4 | K1516 Y1518 E1525 | K1516-K1520 PolarHBondContact O-N 2.82Å; Y1518-K1520 PolarHBondContact O-N 3.43Å; K1520-E1525 WeakPolarHBondContact CE-OE2 3.42Å; K1520-E1525 IonicContact NZ-OE2 2.7Å; K1520-E1525 PolarHBondContact NZ-OE2 2.65Å |
| 1521 | F | 38.2 | Very low | 34.6 | Very low | 75 Ų | 75 | 110.6 Ų | 110.6 | 33% | 0.329 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -111.4 | -30.7 | 177.6 | -163.4 | -87.1 | 0 | 0 | 0 | 112.9 | R1517 Y1518 E1519 I1675 K1733 T1737 | R1517-F1521 WeakPolarHBondContact O-CB 3.32Å; R1517-F1521 PolarHBondContact O-N 2.98Å; Y1518-F1521 CarbonylContact O-C 3.46Å; Y1518-F1521 PolarHBondContact O-N 2.91Å; E1519-F1521 PolarHBondContact O-N 3.31Å; F1521-I1675 HydrophobicContact CE1-CD1 4.34Å; F1521-K1733 HydrophobicContact CE1-CD 4.19Å; F1521-K1733 HydrophobicContact CE1-CG 4.04Å; F1521-K1733 HydrophobicContact CZ-CD 4.4Å; F1521-K1733 HydrophobicContact CZ-CG 4.02Å; F1521-K1733 PolarHBondContact O-NZ 2.9Å; F1521-T1737 HydrophobicContact CD1-CG2 4.17Å; F1521-T1737 HydrophobicContact CE1-CG2 3.14Å; F1521-T1737 HydrophobicContact CE2-CG2 4.35Å; F1521-T1737 HydrophobicContact CZ-CG2 3.26Å |
| 1522 | M | 35.2 | Very low | 33.9 | Very low | 24 Ų | 24 | 112.9 Ų | 112.9 | 12% | 0.118 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -81.6 | -31.9 | 173.5 | -62.6 | -166.8 | 85.8 | 0 | 0 | 111.6 | Y1518 E1519 P1524 I1617 M1620 S1672 | Y1518-M1522 WeakPolarHBondContact O-CB 3.45Å; Y1518-M1522 VanDerWaalsContact O-CG 3.3Å; Y1518-M1522 WeakPolarHBondContact O-CG 3.29Å; Y1518-M1522 PolarHBondContact O-N 3.08Å; E1519-M1522 PolarHBondContact O-N 3.03Å; M1522-P1524 WeakPolarHBondContact O-CD 3.39Å; M1522-I1617 HydrophobicContact CB-CG2 4.39Å; M1522-I1617 HydrophobicContact CE-CB 4.43Å; M1522-I1617 HydrophobicContact CE-CG1 4.25Å; M1522-I1617 HydrophobicContact CE-CG2 3.51Å; M1522-I1617 HydrophobicContact SD-CG2 4.26Å; M1522-M1620 HydrophobicContact CE-CE 3.72Å; M1522-M1620 HydrophobicContact SD-CE 4.41Å; M1522-S1672 VanDerWaalsContact CE-CB 3.42Å; M1522-S1672 VanDerWaalsContact CE-OG 3.25Å; M1522-S1672 WeakPolarHBondContact CE-OG 3.39Å |
| 1523 | Y | 35.8 | Very low | 33.3 | Very low | 76 Ų | 76 | 112.5 Ų | 112.5 | 30% | 0.298 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -113.8 | 90.1 | 170.8 | -50.5 | -74 | 0 | 0 | 0 | 109.9 | E1519 F1614 A1618 | E1519-Y1523 WeakPolarHBondContact O-CD2 3.12Å; E1519-Y1523 PolarHBondContact O-N 2.97Å; Y1523-F1614 AromaticContact CD1-CD1 4Å; Y1523-F1614 HydrophobicContact CD1-CD1 4Å; Y1523-F1614 HydrophobicContact CD1-CE1 4.48Å; Y1523-F1614 AromaticContact CE1-CD1 3.94Å; Y1523-F1614 HydrophobicContact CE1-CD1 3.94Å; Y1523-A1618 WeakPolarHBondContact OH-CB 3.49Å |
| 1524 | P | 31.6 | Very low | 32.7 | Very low | 79 Ų | 79 | 114.3 Ų | 114.3 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | trans | -64.8 | 133.2 | 160.4 | -9 | 25.4 | 0 | 0 | 0 | 108.4 | M1522 N1526 | M1522-P1524 WeakPolarHBondContact O-CD 3.39Å; P1524-N1526 PolarHBondContact O-N 3.36Å | ||
| 1525 | E | 29.2 | Very low | 32 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 62% | 0.621 | 59% | 0.591 | S | S | * | * | trans | -71.7 | 125.5 | 169.2 | -68.1 | 167.3 | 128.5 | 0 | 0 | 107.6 | K1520 E1527 | K1520-E1525 WeakPolarHBondContact CE-OE2 3.42Å; K1520-E1525 IonicContact NZ-OE2 2.7Å; K1520-E1525 PolarHBondContact NZ-OE2 2.65Å; E1525-E1527 PolarHBondContact O-N 3.02Å | ||
| 1526 | N | 28.3 | Very low | 31.4 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 86% | 0.856 | 62% | 0.62 | S | S | * | * | trans | -75.3 | 78.1 | 176.6 | -87 | 1.6 | 0 | 0 | 0 | 109.4 | P1524 N1528 | P1524-N1526 PolarHBondContact O-N 3.36Å; N1526-N1528 PolarHBondContact O-N 2.92Å | ||
| 1527 | E | 26.4 | Very low | 30.7 | Very low | 170 Ų | 170 | 121.4 Ų | 121.4 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | trans | -67.8 | 82.5 | 163 | -68.6 | 178.5 | 172.4 | 0 | 0 | 109.2 | E1525 | E1525-E1527 PolarHBondContact O-N 3.02Š| ||
| 1528 | N | 27.9 | Very low | 30.2 | Very low | 163 Ų | 163 | 120.7 Ų | 120.7 | 87% | 0.872 | 62% | 0.623 | S | S | * | * | trans | 177.5 | 118.7 | 154.8 | -96.1 | -56 | 0 | 0 | 0 | 111.8 | N1526 | N1526-N1528 PolarHBondContact O-N 2.92Š| ||
| 1529 | G | 25.7 | Very low | 29.3 | Very low | 65 Ų | 65 | 124.2 Ų | 124.2 | 67% | 0.67 | 65% | 0.65 | S | S | * | * | trans | 103.2 | 107.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1530 | F | 26.5 | Very low | 28.7 | Very low | 186 Ų | 186 | 128.4 Ų | 128.4 | 82% | 0.816 | 67% | 0.667 | S | S | * | * | trans | 64.8 | 91.5 | 149.4 | -67.8 | -80.8 | 0 | 0 | 0 | 119.9 | ||||
| 1531 | D | 24.6 | Very low | 28 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 79% | 0.786 | 68% | 0.678 | S | S | * | * | 56.5 | 125.5 | 107.4 | -50 | -6.4 | 0 | 0 | 0 | 119.6 | |||||
| 1532 | G | 26.4 | Very low | 27.5 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | trans | 170.9 | 64.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1533 | E | 23.8 | Very low | 27.1 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | trans | -66.5 | 131.1 | 179.8 | -64.4 | -171.2 | 94.2 | 0 | 0 | 112.4 | Q1535 | E1533-Q1535 PolarHBondContact OE1-NE2 3.19Š| ||
| 1534 | I | 25.1 | Very low | 26.6 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 82% | 0.821 | 74% | 0.737 | S | S | * | * | trans | -129.6 | 114.3 | 147.5 | -64.2 | -175.7 | 0 | 0 | 0 | 107.3 | ||||
| 1535 | Q | 23.9 | Very low | 26.5 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 57% | 0.57 | 74% | 0.739 | S | S | * | * | trans | -96.4 | 118.1 | -179 | -56.8 | 177.1 | 3.8 | 0 | 0 | 110.4 | E1533 | E1533-Q1535 PolarHBondContact OE1-NE2 3.19Š| ||
| 1536 | T | 27.4 | Very low | 26.3 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -136.2 | 75.6 | 162 | 55.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1537 | H | 28.4 | Very low | 26.2 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 63% | 0.625 | 74% | 0.738 | S | S | * | * | 56.5 | 100.5 | 93.8 | -82.6 | -104.3 | 0 | 0 | 0 | 116 | |||||
| 1538 | K | 24.6 | Very low | 26.3 | Very low | 182 Ų | 182 | 134.6 Ų | 134.6 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | 48.9 | 154.4 | 126.8 | -66 | -177.4 | 177.3 | 177.9 | 0 | 121.2 | |||||
| 1539 | T | 27.2 | Very low | 26.4 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | 78 | 137.3 | 174.1 | 75.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1540 | F | 27.4 | Very low | 26.3 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 82% | 0.82 | 73% | 0.733 | S | S | * | * | cis | -114.2 | 141 | 1.2 | -106.3 | -92.9 | 0 | 0 | 0 | 113.3 | ||||
| 1541 | E | 23.8 | Very low | 26.2 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | trans | -98.6 | 121.1 | 156.9 | -70.4 | -174 | 119.7 | 0 | 0 | 109.1 | ||||
| 1542 | S | 28.8 | Very low | 26.4 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | trans | -163.9 | 98.3 | 159 | 52.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1543 | T | 26.5 | Very low | 26.4 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 56% | 0.564 | 71% | 0.705 | S | S | * | * | 69.6 | 76.7 | 69.8 | 71 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1544 | D | 26 | Very low | 26.4 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 70% | 0.695 | S | S | * | * | trans | -154.3 | 139.7 | 136.1 | -91.2 | -38.5 | 0 | 0 | 0 | 107.5 | ||||
| 1545 | S | 28.9 | Very low | 26.7 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 56% | 0.559 | 69% | 0.688 | S | S | * | * | cis | 82.8 | 115.4 | 7.2 | 117 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1546 | N | 26 | Very low | 26.9 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | trans | 65.8 | 109.8 | -157.1 | -49.3 | -29.8 | 0 | 0 | 0 | 109.9 | ||||
| 1547 | N | 25.6 | Very low | 26.9 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | 110.6 | 178.4 | 95 | -82.6 | 7.4 | 0 | 0 | 0 | 107.7 | |||||
| 1548 | D | 28 | Very low | 27.3 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 67% | 0.668 | 69% | 0.691 | S | S | * | * | trans | 66 | 121.1 | 175.9 | -40.4 | -27.8 | 0 | 0 | 0 | 112.3 | H1550 | D1548-H1550 HydrophobicContact CB-CB 4.15Š| ||
| 1549 | E | 30.2 | Very low | 27.6 | Very low | 196 Ų | 196 | 134.4 Ų | 134.4 | 92% | 0.916 | 69% | 0.693 | S | S | * | * | cis | 52.2 | 20.7 | 39.8 | -56.4 | -153.8 | 155.7 | 0 | 0 | 113.9 | ||||
| 1550 | H | 24.6 | Very low | 28 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 63% | 0.63 | 68% | 0.677 | S | S | * | * | trans | -147.7 | 139.5 | 161.8 | -90.7 | -28.7 | 0 | 0 | 0 | 109.5 | D1548 D1552 | D1548-H1550 HydrophobicContact CB-CB 4.15Å; H1550-D1552 IonicContact ND1-OD2 2.9Å; H1550-D1552 PolarHBondContact ND1-OD2 3.37Å | ||
| 1551 | L | 23.4 | Very low | 28.9 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 67% | 0.67 | 66% | 0.663 | S | S | * | * | cis | -117.7 | 154.8 | -13.2 | -79.3 | 121.8 | 0 | 0 | 0 | 107.2 | ||||
| 1552 | D | 27.9 | Very low | 30.5 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 49% | 0.487 | 64% | 0.641 | S | S | . | * | 52.6 | 147.1 | 60.9 | -40.9 | -66.7 | 0 | 0 | 0 | 110.5 | H1550 | H1550-D1552 IonicContact ND1-OD2 2.9Å; H1550-D1552 PolarHBondContact ND1-OD2 3.37Å | |||
| 1553 | I | 27.4 | Very low | 31.9 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 63% | 0.631 | 63% | 0.63 | S | S | * | * | cis | -128.6 | 117.5 | 32.2 | -76.5 | 168.9 | 0 | 0 | 0 | 109.8 | ||||
| 1554 | E | 24.4 | Very low | 33.5 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 53% | 0.533 | 62% | 0.618 | S | S | . | * | trans | 65.5 | 137 | 135 | -55.3 | -146.3 | 112.5 | 0 | 0 | 118.6 | ||||
| 1555 | R | 30.2 | Very low | 35.1 | Very low | 178 Ų | 178 | 116.8 Ų | 116.8 | 67% | 0.672 | 61% | 0.605 | S | S | * | * | S | Bend | 60.4 | 112.6 | 57.9 | -48.9 | 164.4 | -169.3 | 139.1 | 2.4 | 111.8 | D1557 | R1555-D1557 PolarHBondContact O-N 2.85Š| |
| 1556 | E | 27.8 | Very low | 37 | Very low | 156 Ų | 156 | 115 Ų | 115 | 73% | 0.729 | 59% | 0.587 | S | S | * | * | trans | 61.1 | 5.2 | 151.6 | -58.3 | -137.6 | 156.7 | 0 | 0 | 122.2 | K1558 | E1556-K1558 VanDerWaalsContact C-N 3.34Å; E1556-K1558 PolarHBondContact O-N 3.22Å; E1556-K1558 IonicContact OE2-NZ 2.72Å; E1556-K1558 PolarHBondContact OE2-NZ 3.13Å | ||
| 1557 | D | 27.6 | Very low | 39.1 | Very low | 118 Ų | 118 | 116.8 Ų | 116.8 | 63% | 0.631 | 58% | 0.584 | S | S | * | * | trans | -54.1 | 82.3 | -168.5 | -87.4 | -19.5 | 0 | 0 | 0 | 117.9 | R1555 | R1555-D1557 PolarHBondContact O-N 2.85Š| ||
| 1558 | K | 37.9 | Very low | 41.2 | Very low | 155 Ų | 155 | 116.6 Ų | 116.6 | 67% | 0.674 | 57% | 0.573 | S | S | * | * | trans | -74.2 | 120.3 | 151.2 | -54 | 129.5 | -171.5 | 159.7 | 0 | 105.8 | E1556 | E1556-K1558 VanDerWaalsContact C-N 3.34Å; E1556-K1558 PolarHBondContact O-N 3.22Å; E1556-K1558 IonicContact OE2-NZ 2.72Å; E1556-K1558 PolarHBondContact OE2-NZ 3.13Å | ||
| 1559 | S | 29.8 | Very low | 43.4 | Very low | 120 Ų | 120 | 114.5 Ų | 114.5 | 84% | 0.839 | 56% | 0.561 | S | S | * | * | trans | 95.8 | 58.1 | 175 | 77.3 | 0 | 0 | 0 | 0 | 119.8 | S1561 | S1559-S1561 PolarHBondContact O-N 2.82Š| ||
| 1560 | E | 36 | Very low | 45.5 | Very low | 92 Ų | 92 | 111.8 Ų | 111.8 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | trans | -55.8 | 124.8 | 154.1 | -88.1 | -161.3 | 147.9 | 0 | 0 | 111.6 | K1565 R1568 | E1560-K1565 WeakPolarHBondContact OE2-CE 3.48Å; E1560-K1565 IonicContact OE2-NZ 3.64Å; E1560-R1568 IonicContact OE1-CZ 3.33Å; E1560-R1568 IonicContact OE1-NH1 2.64Å; E1560-R1568 PolarHBondContact OE1-NH1 2.79Å; E1560-R1568 IonicContact OE1-NH2 2.74Å; E1560-R1568 PolarHBondContact OE1-NH2 3.29Å; E1560-R1568 IonicContact OE2-NH1 2.68Å; E1560-R1568 PolarHBondContact OE2-NH1 3.26Å | ||
| 1561 | S | 45.6 | Very low | 48.1 | Very low | 75 Ų | 75 | 110.8 Ų | 110.8 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | trans | -60.3 | 145 | 177.3 | -179.9 | 0 | 0 | 0 | 0 | 113.3 | S1559 A1563 A1564 | S1559-S1561 PolarHBondContact O-N 2.82Å; S1561-A1563 VanDerWaalsContact C-N 3.33Å; S1561-A1563 PolarHBondContact O-N 3.02Å; S1561-A1564 WeakPolarHBondContact O-CB 3.32Å; S1561-A1564 PolarHBondContact O-N 2.9Å | ||
| 1562 | Q | 57.4 | Low | 50.5 | Low | 91 Ų | 91 | 108 Ų | 108 | 43% | 0.425 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 179.2 | -170 | 166.9 | -30.6 | 0 | 0 | 112.1 | A1564 K1565 E1566 | Q1562-A1564 VanDerWaalsContact C-N 3.29Å; Q1562-A1564 PolarHBondContact O-N 3.38Å; Q1562-K1565 WeakPolarHBondContact O-CA 3.44Å; Q1562-K1565 WeakPolarHBondContact O-CB 3.47Å; Q1562-K1565 PolarHBondContact O-N 3.39Å; Q1562-E1566 PolarHBondContact O-N 3.1Å |
| 1563 | A | 59.8 | Low | 53.1 | Low | 50 Ų | 50 | 108.9 Ų | 108.9 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -31.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1561 K1565 E1566 W1567 | S1561-A1563 VanDerWaalsContact C-N 3.33Å; S1561-A1563 PolarHBondContact O-N 3.02Å; A1563-K1565 PolarHBondContact O-N 3.15Å; A1563-E1566 PolarHBondContact O-N 3.03Å; A1563-W1567 WeakPolarHBondContact O-CB 3.24Å; A1563-W1567 PolarHBondContact O-N 3.31Å |
| 1564 | A | 58.5 | Low | 55.7 | Low | 38 Ų | 38 | 108.9 Ų | 108.9 | 31% | 0.314 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.1 | -24.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1561 Q1562 R1568 | S1561-A1564 WeakPolarHBondContact O-CB 3.32Å; S1561-A1564 PolarHBondContact O-N 2.9Å; Q1562-A1564 VanDerWaalsContact C-N 3.29Å; Q1562-A1564 PolarHBondContact O-N 3.38Å; A1564-R1568 VanDerWaalsContact O-CG 3.3Å; A1564-R1568 WeakPolarHBondContact O-CG 3.47Å; A1564-R1568 PolarHBondContact O-N 3.45Å |
| 1565 | K | 61.3 | Low | 58.5 | Low | 114 Ų | 114 | 106.2 Ų | 106.2 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -83.7 | -41.3 | 175.1 | -64.6 | 174.5 | -177.7 | 164.7 | 0 | 111.5 | E1560 Q1562 A1563 W1567 R1568 L1569 | E1560-K1565 WeakPolarHBondContact OE2-CE 3.48Å; E1560-K1565 IonicContact OE2-NZ 3.64Å; Q1562-K1565 WeakPolarHBondContact O-CA 3.44Å; Q1562-K1565 WeakPolarHBondContact O-CB 3.47Å; Q1562-K1565 PolarHBondContact O-N 3.39Å; A1563-K1565 PolarHBondContact O-N 3.15Å; K1565-W1567 VanDerWaalsContact C-N 3.33Å; K1565-R1568 PolarHBondContact O-N 3.17Å; K1565-L1569 WeakPolarHBondContact O-CB 3.33Å; K1565-L1569 PolarHBondContact O-N 2.8Å |
| 1566 | E | 68.1 | Low | 61.1 | Low | 41 Ų | 41 | 99.8 Ų | 99.8 | 19% | 0.192 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 171.2 | -68.7 | -147.7 | -163.3 | 0 | 0 | 111.6 | N828 S829 Q1562 A1563 L1569 R1570 | N828-E1566 WeakPolarHBondContact CB-OE2 3.23Å; N828-E1566 PolarHBondContact ND2-OE2 3.45Å; S829-E1566 PolarHBondContact OG-OE1 2.74Å; Q1562-E1566 PolarHBondContact O-N 3.1Å; A1563-E1566 PolarHBondContact O-N 3.03Å; E1566-L1569 PolarHBondContact O-N 2.73Å; E1566-R1570 PolarHBondContact O-N 2.89Å |
| 1567 | W | 69.9 | Low | 63.7 | Low | 173 Ų | 173 | 95.1 Ų | 95.1 | 66% | 0.655 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.8 | -54.5 | 172.9 | 178.7 | -85.5 | 0 | 0 | 0 | 112.4 | A1563 K1565 L1569 R1570 E1571 | A1563-W1567 WeakPolarHBondContact O-CB 3.24Å; A1563-W1567 PolarHBondContact O-N 3.31Å; K1565-W1567 VanDerWaalsContact C-N 3.33Å; W1567-L1569 PolarHBondContact O-N 2.94Å; W1567-R1570 PolarHBondContact O-N 2.89Å; W1567-R1570 VanDerWaalsContact O-N 3.14Å; W1567-E1571 PolarHBondContact NE1-OE2 2.98Å; W1567-E1571 WeakPolarHBondContact O-CB 3.07Å; W1567-E1571 PolarHBondContact O-N 3.15Å |
| 1568 | R | 68.7 | Low | 66.3 | Low | 135 Ų | 135 | 93.4 Ų | 93.4 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61 | -31.9 | 179.1 | -72.4 | 177.5 | -166.6 | 150 | 2.7 | 112.6 | E1560 A1564 K1565 M1572 | E1560-R1568 IonicContact OE1-CZ 3.33Å; E1560-R1568 IonicContact OE1-NH1 2.64Å; E1560-R1568 PolarHBondContact OE1-NH1 2.79Å; E1560-R1568 IonicContact OE1-NH2 2.74Å; E1560-R1568 PolarHBondContact OE1-NH2 3.29Å; E1560-R1568 IonicContact OE2-NH1 2.68Å; E1560-R1568 PolarHBondContact OE2-NH1 3.26Å; A1564-R1568 VanDerWaalsContact O-CG 3.3Å; A1564-R1568 WeakPolarHBondContact O-CG 3.47Å; A1564-R1568 PolarHBondContact O-N 3.45Å; K1565-R1568 PolarHBondContact O-N 3.17Å; R1568-M1572 WeakPolarHBondContact O-CB 3.33Å; R1568-M1572 PolarHBondContact O-N 3.47Å |
| 1569 | L | 74.9 | Confident | 68.5 | Low | 80 Ų | 80 | 86.1 Ų | 86.1 | 42% | 0.419 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.1 | -49.4 | 174.1 | 179.4 | 59.6 | 0 | 0 | 0 | 110.9 | K1565 E1566 W1567 E1571 M1572 E1573 | K1565-L1569 WeakPolarHBondContact O-CB 3.33Å; K1565-L1569 PolarHBondContact O-N 2.8Å; E1566-L1569 PolarHBondContact O-N 2.73Å; W1567-L1569 PolarHBondContact O-N 2.94Å; L1569-E1571 PolarHBondContact O-N 3.39Å; L1569-M1572 HydrophobicContact CD1-CE 3.67Å; L1569-M1572 PolarHBondContact O-N 3.4Å; L1569-E1573 HydrophobicContact CD1-CG 4.38Å; L1569-E1573 WeakPolarHBondContact O-CG 3.4Å; L1569-E1573 PolarHBondContact O-N 2.94Å |
| 1570 | R | 75 | Confident | 71 | Confident | 140 Ų | 140 | 81.7 Ų | 81.7 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 174.3 | -84.6 | -175 | 158.8 | 153.2 | 4.2 | 113.1 | N828 E1566 W1567 M1572 E1573 M1574 | N828-R1570 VanDerWaalsContact CG-NH2 3.28Å; N828-R1570 PolarHBondContact ND2-NH1 2.86Å; N828-R1570 PolarHBondContact OD1-NH1 2.84Å; N828-R1570 PolarHBondContact OD1-NH2 2.89Å; E1566-R1570 PolarHBondContact O-N 2.89Å; W1567-R1570 PolarHBondContact O-N 2.89Å; W1567-R1570 VanDerWaalsContact O-N 3.14Å; R1570-M1572 VanDerWaalsContact C-N 3.33Å; R1570-M1572 PolarHBondContact O-N 2.71Å; R1570-E1573 PolarHBondContact O-N 2.86Å; R1570-M1574 WeakPolarHBondContact O-CB 3.21Å; R1570-M1574 PolarHBondContact O-N 2.88Å |
| 1571 | E | 78.4 | Confident | 73.1 | Confident | 115 Ų | 115 | 83.2 Ų | 83.2 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 178.1 | -167.6 | 175.8 | 163.1 | 0 | 0 | 111 | W1567 L1569 R1575 | W1567-E1571 PolarHBondContact NE1-OE2 2.98Å; W1567-E1571 WeakPolarHBondContact O-CB 3.07Å; W1567-E1571 PolarHBondContact O-N 3.15Å; L1569-E1571 PolarHBondContact O-N 3.39Å; E1571-R1575 WeakPolarHBondContact O-CB 3.2Å; E1571-R1575 PolarHBondContact O-N 2.9Å |
| 1572 | M | 74.8 | Confident | 74.8 | Confident | 68 Ų | 68 | 81.5 Ų | 81.5 | 34% | 0.335 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 172.9 | 179.2 | 178.1 | 55 | 0 | 0 | 112.9 | R1568 L1569 R1570 K1576 | R1568-M1572 WeakPolarHBondContact O-CB 3.33Å; R1568-M1572 PolarHBondContact O-N 3.47Å; L1569-M1572 HydrophobicContact CD1-CE 3.67Å; L1569-M1572 PolarHBondContact O-N 3.4Å; R1570-M1572 VanDerWaalsContact C-N 3.33Å; R1570-M1572 PolarHBondContact O-N 2.71Å; M1572-K1576 HydrophobicContact CG-CD 4.07Å; M1572-K1576 WeakPolarHBondContact O-CB 3.46Å; M1572-K1576 WeakPolarHBondContact O-CD 3.33Å; M1572-K1576 VanDerWaalsContact O-CG 3.25Å; M1572-K1576 WeakPolarHBondContact O-CG 3.23Å; M1572-K1576 PolarHBondContact O-N 2.95Å; M1572-K1576 PolarHBondContact SD-NZ 2.87Å |
| 1573 | E | 82 | Confident | 75.9 | Confident | 111 Ų | 111 | 77.1 Ų | 77.1 | 52% | 0.519 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69 | -44 | 178.1 | -74.8 | 178.8 | 167.1 | 0 | 0 | 112.2 | L1569 R1570 R1575 K1576 A1577 | L1569-E1573 HydrophobicContact CD1-CG 4.38Å; L1569-E1573 WeakPolarHBondContact O-CG 3.4Å; L1569-E1573 PolarHBondContact O-N 2.94Å; R1570-E1573 PolarHBondContact O-N 2.86Å; E1573-R1575 VanDerWaalsContact C-N 3.35Å; E1573-R1575 PolarHBondContact O-N 2.87Å; E1573-K1576 WeakPolarHBondContact O-CB 3.07Å; E1573-K1576 PolarHBondContact O-N 2.86Å; E1573-A1577 PolarHBondContact O-N 3.25Å |
| 1574 | M | 81.5 | Confident | 76.9 | Confident | 122 Ų | 122 | 78.7 Ų | 78.7 | 60% | 0.601 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | 174.6 | -174.1 | 173.4 | -179.3 | 0 | 0 | 111.3 | R1570 A1577 M1578 | R1570-M1574 WeakPolarHBondContact O-CB 3.21Å; R1570-M1574 PolarHBondContact O-N 2.88Å; M1574-A1577 PolarHBondContact O-N 3.01Å; M1574-M1578 HydrophobicContact CE-CE 3.76Å; M1574-M1578 WeakPolarHBondContact O-CG 3.47Å; M1574-M1578 PolarHBondContact O-N 3.1Å |
| 1575 | R | 84.5 | Confident | 77.7 | Confident | 59 Ų | 59 | 83.5 Ų | 83.5 | 22% | 0.223 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 172.4 | 176.8 | -179.3 | 167.8 | 76.4 | 15 | 112.3 | E1571 E1573 L1579 Q1593 H1595 E1601 | E1571-R1575 WeakPolarHBondContact O-CB 3.2Å; E1571-R1575 PolarHBondContact O-N 2.9Å; E1573-R1575 VanDerWaalsContact C-N 3.35Å; E1573-R1575 PolarHBondContact O-N 2.87Å; R1575-L1579 VanDerWaalsContact O-CB 3.31Å; R1575-L1579 WeakPolarHBondContact O-CB 3.29Å; R1575-L1579 PolarHBondContact O-N 3.17Å; R1575-Q1593 PolarHBondContact NH1-O 3.33Å; R1575-H1595 PolarHBondContact NH2-O 2.95Å; R1575-E1601 IonicContact CZ-OE1 3.26Å; R1575-E1601 IonicContact CZ-OE2 3.78Å; R1575-E1601 IonicContact NE-OE1 2.83Å; R1575-E1601 PolarHBondContact NE-OE1 3.45Å; R1575-E1601 IonicContact NE-OE2 2.62Å; R1575-E1601 PolarHBondContact NE-OE2 2.76Å; R1575-E1601 IonicContact NH2-OE1 3.97Å; R1575-E1601 IonicContact NH2-OE2 2.65Å; R1575-E1601 PolarHBondContact NH2-OE2 3.37Å |
| 1576 | K | 83.2 | Confident | 78.1 | Confident | 43 Ų | 43 | 83.1 Ų | 83.1 | 19% | 0.187 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65 | -38.1 | 174.7 | -77.5 | 165.3 | 173.9 | 173.8 | 0 | 112 | M1572 E1573 L1579 A1580 E1600 E1601 L1604 | M1572-K1576 HydrophobicContact CG-CD 4.07Å; M1572-K1576 WeakPolarHBondContact O-CB 3.46Å; M1572-K1576 WeakPolarHBondContact O-CD 3.33Å; M1572-K1576 VanDerWaalsContact O-CG 3.25Å; M1572-K1576 WeakPolarHBondContact O-CG 3.23Å; M1572-K1576 PolarHBondContact O-N 2.95Å; M1572-K1576 PolarHBondContact SD-NZ 2.87Å; E1573-K1576 WeakPolarHBondContact O-CB 3.07Å; E1573-K1576 PolarHBondContact O-N 2.86Å; K1576-L1579 PolarHBondContact O-N 3.49Å; K1576-A1580 WeakPolarHBondContact O-CB 3.5Å; K1576-A1580 PolarHBondContact O-N 3.39Å; K1576-E1600 WeakPolarHBondContact CE-OE2 3.23Å; K1576-E1600 IonicContact NZ-OE2 2.69Å; K1576-E1600 PolarHBondContact NZ-OE2 2.87Å; K1576-E1601 HydrophobicContact CG-CG 4.33Å; K1576-L1604 HydrophobicContact CB-CD2 4.42Å; K1576-L1604 WeakPolarHBondContact O-CD2 3.42Å |
| 1577 | A | 83 | Confident | 78.1 | Confident | 58 Ų | 58 | 87.7 Ų | 87.7 | 48% | 0.479 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.5 | -51.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1573 M1574 L1579 A1580 E1581 | E1573-A1577 PolarHBondContact O-N 3.25Å; M1574-A1577 PolarHBondContact O-N 3.01Å; A1577-L1579 VanDerWaalsContact C-N 3.29Å; A1577-L1579 PolarHBondContact O-N 2.76Å; A1577-A1580 WeakPolarHBondContact O-CB 3.49Å; A1577-A1580 PolarHBondContact O-N 3.28Å; A1577-E1581 PolarHBondContact O-N 3.29Å |
| 1578 | M | 81.9 | Confident | 78.2 | Confident | 82 Ų | 82 | 82.3 Ų | 82.3 | 40% | 0.404 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.3 | -39.3 | 175.1 | -73 | 178.2 | 160.1 | 0 | 0 | 112.5 | M1574 L1582 L1594 | M1574-M1578 HydrophobicContact CE-CE 3.76Å; M1574-M1578 WeakPolarHBondContact O-CG 3.47Å; M1574-M1578 PolarHBondContact O-N 3.1Å; M1578-L1582 WeakPolarHBondContact O-CB 3.4Å; M1578-L1582 WeakPolarHBondContact O-CG 3.44Å; M1578-L1582 PolarHBondContact O-N 3.17Å; M1578-L1594 HydrophobicContact CB-CD2 3.85Å |
| 1579 | L | 83.8 | Confident | 78.5 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 174.7 | 177.9 | 62.4 | 0 | 0 | 0 | 112.3 | R1575 K1576 A1577 T1583 P1590 P1596 E1601 L1604 | R1575-L1579 VanDerWaalsContact O-CB 3.31Å; R1575-L1579 WeakPolarHBondContact O-CB 3.29Å; R1575-L1579 PolarHBondContact O-N 3.17Å; K1576-L1579 PolarHBondContact O-N 3.49Å; A1577-L1579 VanDerWaalsContact C-N 3.29Å; A1577-L1579 PolarHBondContact O-N 2.76Å; L1579-T1583 HydrophobicContact CD1-CG2 3.74Å; L1579-T1583 HydrophobicContact CG-CG2 4.42Å; L1579-T1583 WeakPolarHBondContact O-CB 3.27Å; L1579-T1583 VanDerWaalsContact O-CG2 3.28Å; L1579-T1583 WeakPolarHBondContact O-CG2 3.46Å; L1579-T1583 PolarHBondContact O-N 3.17Å; L1579-T1583 PolarHBondContact O-OG1 3.26Å; L1579-P1590 HydrophobicContact CD1-CG 3.57Å; L1579-P1596 HydrophobicContact CD1-CG 4.02Å; L1579-P1596 HydrophobicContact CD2-CB 4.42Å; L1579-P1596 HydrophobicContact CD2-CG 4.06Å; L1579-E1601 HydrophobicContact CD2-CB 3.46Å; L1579-E1601 VanDerWaalsContact CD2-CB 3.46Å; L1579-E1601 HydrophobicContact CD2-CG 3.66Å; L1579-L1604 HydrophobicContact CD2-CD2 4.32Å; L1579-L1604 HydrophobicContact CG-CD2 4.36Å |
| 1580 | A | 82.5 | Confident | 78.4 | Confident | 27 Ų | 27 | 73.6 Ų | 73.6 | 22% | 0.223 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63 | -47.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K1576 A1577 T1583 T1584 L1604 N1608 | K1576-A1580 WeakPolarHBondContact O-CB 3.5Å; K1576-A1580 PolarHBondContact O-N 3.39Å; A1577-A1580 WeakPolarHBondContact O-CB 3.49Å; A1577-A1580 PolarHBondContact O-N 3.28Å; A1580-T1583 PolarHBondContact O-N 2.98Å; A1580-T1583 PolarHBondContact O-OG1 3.18Å; A1580-T1584 PolarHBondContact O-N 2.88Å; A1580-T1584 PolarHBondContact O-OG1 2.97Å; A1580-L1604 HydrophobicContact CB-CD1 4.05Å; A1580-L1604 HydrophobicContact CB-CD2 4.09Å; A1580-L1604 HydrophobicContact CB-CG 4.4Å; A1580-N1608 PolarHBondContact O-ND2 3.01Å; A1580-N1608 VanDerWaalsContact O-ND2 3.16Å |
| 1581 | E | 81.3 | Confident | 78.2 | Confident | 124 Ų | 124 | 76.4 Ų | 76.4 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60 | -57 | 178.9 | -168.7 | 165.2 | -135.9 | 0 | 0 | 110.7 | A1577 T1583 T1584 E1585 | A1577-E1581 PolarHBondContact O-N 3.29Å; E1581-T1583 VanDerWaalsContact C-N 3.31Å; E1581-T1583 PolarHBondContact O-N 3.49Å; E1581-T1584 PolarHBondContact O-N 3.34Å; E1581-T1584 PolarHBondContact O-OG1 2.82Å; E1581-E1585 PolarHBondContact O-N 2.91Å |
| 1582 | L | 79.8 | Confident | 77.9 | Confident | 39 Ų | 39 | 73.9 Ų | 73.9 | 20% | 0.204 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.4 | -36.3 | 179 | -72.3 | 168.8 | 0 | 0 | 0 | 114 | M1578 Q1586 L1594 | M1578-L1582 WeakPolarHBondContact O-CB 3.4Å; M1578-L1582 WeakPolarHBondContact O-CG 3.44Å; M1578-L1582 PolarHBondContact O-N 3.17Å; L1582-Q1586 WeakPolarHBondContact O-CB 3.29Å; L1582-Q1586 PolarHBondContact O-N 3.15Å; L1582-L1594 HydrophobicContact CD1-CB 4.42Å; L1582-L1594 HydrophobicContact CD1-CD1 3.79Å; L1582-L1594 HydrophobicContact CD1-CG 4.47Å |
| 1583 | T | 81.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -78.7 | -19.7 | 178.6 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | L1579 A1580 E1581 P1590 A1605 N1608 M1609 | L1579-T1583 HydrophobicContact CD1-CG2 3.74Å; L1579-T1583 HydrophobicContact CG-CG2 4.42Å; L1579-T1583 WeakPolarHBondContact O-CB 3.27Å; L1579-T1583 VanDerWaalsContact O-CG2 3.28Å; L1579-T1583 WeakPolarHBondContact O-CG2 3.46Å; L1579-T1583 PolarHBondContact O-N 3.17Å; L1579-T1583 PolarHBondContact O-OG1 3.26Å; A1580-T1583 PolarHBondContact O-N 2.98Å; A1580-T1583 PolarHBondContact O-OG1 3.18Å; E1581-T1583 VanDerWaalsContact C-N 3.31Å; E1581-T1583 PolarHBondContact O-N 3.49Å; T1583-P1590 HydrophobicContact CG2-CG 4.44Å; T1583-A1605 HydrophobicContact CG2-CB 3.95Å; T1583-N1608 PolarHBondContact OG1-ND2 3.46Å; T1583-M1609 HydrophobicContact CG2-SD 3.84Å; T1583-M1609 VanDerWaalsContact O-CG 3.25Å; T1583-M1609 WeakPolarHBondContact O-CG 3.34Å |
| 1584 | T | 79.6 | Confident | 77.1 | Confident | 83 Ų | 83 | 76.2 Ų | 76.2 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -81.1 | -39.7 | 168.6 | 39.7 | 0 | 0 | 0 | 0 | 112.1 | A1580 E1581 N1608 | A1580-T1584 PolarHBondContact O-N 2.88Å; A1580-T1584 PolarHBondContact O-OG1 2.97Å; E1581-T1584 PolarHBondContact O-N 3.34Å; E1581-T1584 PolarHBondContact O-OG1 2.82Å; T1584-N1608 HydrophobicContact CG2-CB 4.11Å |
| 1585 | E | 76.8 | Confident | 77 | Confident | 139 Ų | 139 | 73.4 Ų | 73.4 | 65% | 0.65 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -71.6 | -56.2 | 178.8 | -68.7 | -168 | 142.4 | 0 | 0 | 113.3 | E1581 | E1581-E1585 PolarHBondContact O-N 2.91Å |
| 1586 | Q | 68.3 | Low | 76.9 | Confident | 105 Ų | 105 | 70.7 Ų | 70.7 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -88.4 | -13.8 | -162 | -57.9 | -172.4 | -5.1 | 0 | 0 | 114 | L1582 C1588 | L1582-Q1586 WeakPolarHBondContact O-CB 3.29Å; L1582-Q1586 PolarHBondContact O-N 3.15Å; Q1586-C1588 PolarHBondContact O-N 2.8Å |
| 1587 | Q | 69.8 | Low | 76.7 | Confident | 138 Ų | 138 | 74.4 Ų | 74.4 | 65% | 0.645 | 39% | 0.392 | S | S | * | . | trans | 49.1 | 16.5 | -172.8 | -58.1 | -167.1 | 9.6 | 0 | 0 | 115.6 | M1609 N1612 | Q1587-M1609 WeakPolarHBondContact O-CE 3.31Å; Q1587-N1612 PolarHBondContact O-ND2 2.86Å | ||
| 1588 | C | 70.9 | Confident | 76.7 | Confident | 59 Ų | 59 | 74 Ų | 74 | 40% | 0.399 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -125.9 | 151.4 | 179.4 | 87.9 | 0 | 0 | 0 | 0 | 109.9 | Q1586 P1590 M1609 | Q1586-C1588 PolarHBondContact O-N 2.8Å; C1588-P1590 WeakPolarHBondContact O-CD 3.16Å; C1588-M1609 VanDerWaalsContact C-CE 3.48Å |
| 1589 | L | 74.8 | Confident | 76.9 | Confident | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.131 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -76 | 119.6 | -176.2 | -165.8 | 71.4 | 0 | 0 | 0 | 108.4 | H1595 P1596 A1605 M1609 C1615 A1618 | L1589-H1595 VanDerWaalsContact CD2-CE1 3.49Å; L1589-H1595 WeakPolarHBondContact CD2-CE1 3.49Å; L1589-P1596 HydrophobicContact CD1-CG 3.95Å; L1589-A1605 HydrophobicContact CD1-CB 4.15Å; L1589-M1609 HydrophobicContact CB-CE 4.46Å; L1589-C1615 HydrophobicContact CD1-CB 4.38Å; L1589-A1618 HydrophobicContact CD2-CB 3.48Å; L1589-A1618 VanDerWaalsContact CD2-CB 3.48Å |
| 1590 | P | 74.1 | Confident | 77 | Confident | 8 Ų | 8 | 78.6 Ų | 78.6 | 5% | 0.052 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 142.9 | -174.3 | 19.3 | -30.1 | 0 | 0 | 0 | 112 | L1579 T1583 C1588 L1594 H1595 | L1579-P1590 HydrophobicContact CD1-CG 3.57Å; T1583-P1590 HydrophobicContact CG2-CG 4.44Å; C1588-P1590 WeakPolarHBondContact O-CD 3.16Å; P1590-L1594 HydrophobicContact CB-CB 4.44Å; P1590-L1594 WeakPolarHBondContact CG-O 3.19Å; P1590-H1595 WeakPolarHBondContact O-CA 3.47Å; P1590-H1595 WeakPolarHBondContact O-CB 3.44Å; P1590-H1595 PolarHBondContact O-ND1 2.92Å |
| 1591 | K | 70.5 | Confident | 77.2 | Confident | 198 Ų | 198 | 77.5 Ų | 77.5 | 86% | 0.861 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -99.5 | 161.9 | 176.6 | -64.5 | -179.6 | -179.2 | 176.8 | 0 | 110 | ||
| 1592 | G | 72.3 | Confident | 77.6 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | 75.3 | -147.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1594 H1595 | G1592-L1594 VanDerWaalsContact C-N 3.29Å; G1592-L1594 PolarHBondContact O-N 3.47Å; G1592-H1595 VanDerWaalsContact O-CB 3.31Å; G1592-H1595 WeakPolarHBondContact O-CB 3.12Å; G1592-H1595 PolarHBondContact O-N 3.11Å; G1592-H1595 VanDerWaalsContact O-N 3.15Å |
| 1593 | Q | 65 | Low | 78.1 | Confident | 177 Ų | 177 | 73 Ų | 73 | 83% | 0.827 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -62.1 | -32 | -170.2 | -67.8 | 179.2 | -12.1 | 0 | 0 | 113.9 | R1575 H1595 | R1575-Q1593 PolarHBondContact NH1-O 3.33Å; Q1593-H1595 VanDerWaalsContact C-N 3.3Å; Q1593-H1595 PolarHBondContact O-N 3.33Å |
| 1594 | L | 73.6 | Confident | 78.4 | Confident | 51 Ų | 51 | 74.2 Ų | 74.2 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -84.5 | 5.9 | 179.5 | -90.5 | 153.5 | 0 | 0 | 0 | 114.4 | M1578 L1582 P1590 G1592 | M1578-L1594 HydrophobicContact CB-CD2 3.85Å; L1582-L1594 HydrophobicContact CD1-CB 4.42Å; L1582-L1594 HydrophobicContact CD1-CD1 3.79Å; L1582-L1594 HydrophobicContact CD1-CG 4.47Å; P1590-L1594 HydrophobicContact CB-CB 4.44Å; P1590-L1594 WeakPolarHBondContact CG-O 3.19Å; G1592-L1594 VanDerWaalsContact C-N 3.29Å; G1592-L1594 PolarHBondContact O-N 3.47Å |
| 1595 | H | 80.4 | Confident | 78.7 | Confident | 63 Ų | 63 | 70.2 Ų | 70.2 | 29% | 0.292 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -60 | 138.6 | 169.5 | -169.3 | 78.7 | 0 | 0 | 0 | 111 | R1575 L1589 P1590 G1592 Q1593 Q1597 | R1575-H1595 PolarHBondContact NH2-O 2.95Å; L1589-H1595 VanDerWaalsContact CD2-CE1 3.49Å; L1589-H1595 WeakPolarHBondContact CD2-CE1 3.49Å; P1590-H1595 WeakPolarHBondContact O-CA 3.47Å; P1590-H1595 WeakPolarHBondContact O-CB 3.44Å; P1590-H1595 PolarHBondContact O-ND1 2.92Å; G1592-H1595 VanDerWaalsContact O-CB 3.31Å; G1592-H1595 WeakPolarHBondContact O-CB 3.12Å; G1592-H1595 PolarHBondContact O-N 3.11Å; G1592-H1595 VanDerWaalsContact O-N 3.15Å; Q1593-H1595 VanDerWaalsContact C-N 3.3Å; Q1593-H1595 PolarHBondContact O-N 3.33Å; H1595-Q1597 PolarHBondContact O-N 2.82Å |
| 1596 | P | 82.4 | Confident | 79.3 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | trans | -58.1 | 133.3 | 178.8 | -28.4 | 37.6 | 0 | 0 | 0 | 113.8 | L1579 L1589 E1601 F1602 A1605 | L1579-P1596 HydrophobicContact CD1-CG 4.02Å; L1579-P1596 HydrophobicContact CD2-CB 4.42Å; L1579-P1596 HydrophobicContact CD2-CG 4.06Å; L1589-P1596 HydrophobicContact CD1-CG 3.95Å; P1596-E1601 WeakPolarHBondContact CA-OE2 3.46Å; P1596-E1601 HydrophobicContact CB-CB 3.86Å; P1596-F1602 HydrophobicContact CB-CD1 3.85Å; P1596-F1602 HydrophobicContact CB-CD2 3.86Å; P1596-F1602 HydrophobicContact CB-CE1 3.75Å; P1596-F1602 HydrophobicContact CB-CE2 3.75Å; P1596-F1602 HydrophobicContact CB-CG 3.91Å; P1596-F1602 HydrophobicContact CB-CZ 3.71Å; P1596-F1602 HydrophobicContact CG-CD1 4.38Å; P1596-F1602 HydrophobicContact CG-CE1 4.25Å; P1596-F1602 VanDerWaalsContact O-CE2 3.26Å; P1596-F1602 WeakPolarHBondContact O-CE2 3.11Å; P1596-F1602 WeakPolarHBondContact O-CZ 3.22Å; P1596-A1605 HydrophobicContact CG-CB 4.19Å | ||
| 1597 | Q | 79 | Confident | 80.2 | Confident | 120 Ų | 120 | 67.3 Ų | 67.3 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | trans | -124.3 | -4 | -178.5 | -66.1 | -174.1 | 28.9 | 0 | 0 | 114.1 | H1595 E1601 H1622 | H1595-Q1597 PolarHBondContact O-N 2.82Å; Q1597-E1601 PolarHBondContact N-OE2 2.86Å; Q1597-H1622 PolarHBondContact O-CE1 2.87Å | ||
| 1598 | T | 82.8 | Confident | 80.9 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -131.4 | 156.4 | 178.7 | 68.2 | 0 | 0 | 0 | 0 | 111.3 | E1600 E1601 F1602 | T1598-E1600 PolarHBondContact O-N 3.04Å; T1598-E1600 VanDerWaalsContact O-N 3.16Å; T1598-E1601 PolarHBondContact O-N 2.89Å; T1598-E1601 VanDerWaalsContact O-N 3.11Å; T1598-E1601 WeakPolarHBondContact OG1-CB 3.39Å; T1598-E1601 VanDerWaalsContact OG1-CG 3.32Å; T1598-E1601 WeakPolarHBondContact OG1-CG 3.42Å; T1598-E1601 PolarHBondContact OG1-N 2.83Å; T1598-F1602 WeakPolarHBondContact O-CD2 3.46Å; T1598-F1602 PolarHBondContact O-N 2.88Å |
| 1599 | T | 86.1 | Confident | 81.6 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -51.1 | -37.6 | 174 | -48.2 | 0 | 0 | 0 | 0 | 112.3 | F1602 E1603 Y1619 H1622 I1623 | T1599-F1602 PolarHBondContact O-N 2.93Å; T1599-E1603 WeakPolarHBondContact O-CG 3.5Å; T1599-E1603 PolarHBondContact O-N 2.99Å; T1599-Y1619 HydrophobicContact CG2-CE2 4.04Å; T1599-Y1619 WeakPolarHBondContact CG2-OH 3.33Å; T1599-H1622 PolarHBondContact N-NE2 3.47Å; T1599-I1623 HydrophobicContact CG2-CD1 4.42Å |
| 1600 | E | 85.6 | Confident | 82.1 | Confident | 119 Ų | 119 | 61.7 Ų | 61.7 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -73.1 | -40.6 | 179.8 | -62.2 | 179.6 | 174.7 | 0 | 0 | 112.2 | K1576 T1598 F1602 L1604 | K1576-E1600 WeakPolarHBondContact CE-OE2 3.23Å; K1576-E1600 IonicContact NZ-OE2 2.69Å; K1576-E1600 PolarHBondContact NZ-OE2 2.87Å; T1598-E1600 PolarHBondContact O-N 3.04Å; T1598-E1600 VanDerWaalsContact O-N 3.16Å; E1600-F1602 VanDerWaalsContact C-N 3.28Å; E1600-F1602 PolarHBondContact O-N 2.87Å; E1600-L1604 VanDerWaalsContact O-CB 3.22Å; E1600-L1604 WeakPolarHBondContact O-CB 3.38Å; E1600-L1604 PolarHBondContact O-N 3.14Å |
| 1601 | E | 87 | Confident | 82.5 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.019 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 171.2 | -74.4 | 174.2 | -153.5 | 0 | 0 | 111.6 | R1575 K1576 L1579 P1596 Q1597 T1598 A1605 | R1575-E1601 IonicContact CZ-OE1 3.26Å; R1575-E1601 IonicContact CZ-OE2 3.78Å; R1575-E1601 IonicContact NE-OE1 2.83Å; R1575-E1601 PolarHBondContact NE-OE1 3.45Å; R1575-E1601 IonicContact NE-OE2 2.62Å; R1575-E1601 PolarHBondContact NE-OE2 2.76Å; R1575-E1601 IonicContact NH2-OE1 3.97Å; R1575-E1601 IonicContact NH2-OE2 2.65Å; R1575-E1601 PolarHBondContact NH2-OE2 3.37Å; K1576-E1601 HydrophobicContact CG-CG 4.33Å; L1579-E1601 HydrophobicContact CD2-CB 3.46Å; L1579-E1601 VanDerWaalsContact CD2-CB 3.46Å; L1579-E1601 HydrophobicContact CD2-CG 3.66Å; P1596-E1601 WeakPolarHBondContact CA-OE2 3.46Å; P1596-E1601 HydrophobicContact CB-CB 3.86Å; Q1597-E1601 PolarHBondContact N-OE2 2.86Å; T1598-E1601 PolarHBondContact O-N 2.89Å; T1598-E1601 VanDerWaalsContact O-N 3.11Å; T1598-E1601 WeakPolarHBondContact OG1-CB 3.39Å; T1598-E1601 VanDerWaalsContact OG1-CG 3.32Å; T1598-E1601 WeakPolarHBondContact OG1-CG 3.42Å; T1598-E1601 PolarHBondContact OG1-N 2.83Å; E1601-A1605 WeakPolarHBondContact O-CB 3.24Å; E1601-A1605 PolarHBondContact O-N 2.91Å |
| 1602 | F | 90.2 | Very high | 83.3 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73 | -45.2 | 175.4 | -84.3 | -69.9 | 0 | 0 | 0 | 113.7 | P1596 T1598 T1599 E1600 L1604 A1605 V1606 A1618 Y1619 H1622 | P1596-F1602 HydrophobicContact CB-CD1 3.85Å; P1596-F1602 HydrophobicContact CB-CD2 3.86Å; P1596-F1602 HydrophobicContact CB-CE1 3.75Å; P1596-F1602 HydrophobicContact CB-CE2 3.75Å; P1596-F1602 HydrophobicContact CB-CG 3.91Å; P1596-F1602 HydrophobicContact CB-CZ 3.71Å; P1596-F1602 HydrophobicContact CG-CD1 4.38Å; P1596-F1602 HydrophobicContact CG-CE1 4.25Å; P1596-F1602 VanDerWaalsContact O-CE2 3.26Å; P1596-F1602 WeakPolarHBondContact O-CE2 3.11Å; P1596-F1602 WeakPolarHBondContact O-CZ 3.22Å; T1598-F1602 WeakPolarHBondContact O-CD2 3.46Å; T1598-F1602 PolarHBondContact O-N 2.88Å; T1599-F1602 PolarHBondContact O-N 2.93Å; E1600-F1602 VanDerWaalsContact C-N 3.28Å; E1600-F1602 PolarHBondContact O-N 2.87Å; F1602-L1604 VanDerWaalsContact C-N 3.26Å; F1602-L1604 PolarHBondContact O-N 3.06Å; F1602-A1605 PolarHBondContact O-N 3.07Å; F1602-V1606 VanDerWaalsContact O-CB 3.27Å; F1602-V1606 WeakPolarHBondContact O-CB 3.27Å; F1602-V1606 VanDerWaalsContact O-CG2 3.25Å; F1602-V1606 WeakPolarHBondContact O-CG2 3.46Å; F1602-V1606 PolarHBondContact O-N 2.86Å; F1602-A1618 HydrophobicContact CE1-CB 3.64Å; F1602-A1618 HydrophobicContact CZ-CB 4.27Å; F1602-Y1619 HydrophobicContact CB-CD1 4.27Å; F1602-Y1619 HydrophobicContact CB-CD2 3.42Å; F1602-Y1619 VanDerWaalsContact CB-CD2 3.42Å; F1602-Y1619 HydrophobicContact CB-CE2 3.86Å; F1602-Y1619 HydrophobicContact CB-CG 3.68Å; F1602-Y1619 HydrophobicContact CD1-CD2 4.36Å; F1602-Y1619 HydrophobicContact CD1-CG 4.26Å; F1602-Y1619 HydrophobicContact CD2-CD2 4.3Å; F1602-Y1619 AromaticContact CG-CD2 3.79Å; F1602-Y1619 HydrophobicContact CG-CD2 3.79Å; F1602-Y1619 HydrophobicContact CG-CG 4.08Å; F1602-H1622 HydrophobicContact CD2-CB 3.87Å; F1602-H1622 AromaticContact CD2-CD2 3.5Å; F1602-H1622 VanDerWaalsContact CD2-CD2 3.5Å; F1602-H1622 WeakPolarHBondContact CD2-CD2 3.12Å; F1602-H1622 AromaticContact CD2-CG 3.58Å; F1602-H1622 HydrophobicContact CE2-CB 3.46Å; F1602-H1622 VanDerWaalsContact CE2-CB 3.46Å; F1602-H1622 AromaticContact CE2-CD2 3.75Å; F1602-H1622 AromaticContact CE2-CG 3.32Å; F1602-H1622 AromaticContact CE2-ND1 3.64Å; F1602-H1622 HydrophobicContact CZ-CB 3.96Å |
| 1603 | E | 89.6 | Confident | 83.9 | Confident | 64 Ų | 64 | 52.3 Ų | 52.3 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 174.2 | -68.9 | -75.1 | 174.8 | 0 | 0 | 111.2 | T1599 R1607 Y1619 R1650 | T1599-E1603 WeakPolarHBondContact O-CG 3.5Å; T1599-E1603 PolarHBondContact O-N 2.99Å; E1603-R1607 WeakPolarHBondContact O-CB 3.39Å; E1603-R1607 PolarHBondContact O-N 3.03Å; E1603-Y1619 VanDerWaalsContact CD-OH 3.32Å; E1603-Y1619 HydrophobicContact CG-CE1 4.07Å; E1603-Y1619 WeakPolarHBondContact CG-OH 3.21Å; E1603-Y1619 WeakPolarHBondContact OE1-CE1 3.45Å; E1603-Y1619 VanDerWaalsContact OE1-CZ 3.28Å; E1603-Y1619 PolarHBondContact OE1-OH 3.06Å; E1603-R1650 IonicContact OE1-CZ 3.19Å; E1603-R1650 IonicContact OE1-NH1 3.93Å; E1603-R1650 PolarHBondContact OE1-NH1 2.92Å; E1603-R1650 IonicContact OE1-NH2 2.66Å; E1603-R1650 PolarHBondContact OE1-NH2 2.68Å; E1603-R1650 IonicContact OE2-CZ 3Å; E1603-R1650 IonicContact OE2-NH1 2.76Å; E1603-R1650 PolarHBondContact OE2-NH1 2.63Å; E1603-R1650 IonicContact OE2-NH2 3.32Å |
| 1604 | L | 87.3 | Confident | 85 | Confident | 26 Ų | 26 | 47.3 Ų | 47.3 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.4 | -52.9 | 172.8 | 175.8 | 63.3 | 0 | 0 | 0 | 111.9 | K1576 L1579 A1580 E1600 F1602 V1606 R1607 N1608 | K1576-L1604 HydrophobicContact CB-CD2 4.42Å; K1576-L1604 WeakPolarHBondContact O-CD2 3.42Å; L1579-L1604 HydrophobicContact CD2-CD2 4.32Å; L1579-L1604 HydrophobicContact CG-CD2 4.36Å; A1580-L1604 HydrophobicContact CB-CD1 4.05Å; A1580-L1604 HydrophobicContact CB-CD2 4.09Å; A1580-L1604 HydrophobicContact CB-CG 4.4Å; E1600-L1604 VanDerWaalsContact O-CB 3.22Å; E1600-L1604 WeakPolarHBondContact O-CB 3.38Å; E1600-L1604 PolarHBondContact O-N 3.14Å; F1602-L1604 VanDerWaalsContact C-N 3.26Å; F1602-L1604 PolarHBondContact O-N 3.06Å; L1604-V1606 VanDerWaalsContact C-N 3.32Å; L1604-V1606 PolarHBondContact O-N 2.86Å; L1604-R1607 PolarHBondContact O-N 3.19Å; L1604-N1608 VanDerWaalsContact O-CG 3.31Å; L1604-N1608 PolarHBondContact O-N 3.47Å; L1604-N1608 PolarHBondContact O-OD1 2.89Å |
| 1605 | A | 86.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1583 L1589 P1596 E1601 F1602 N1608 M1609 | T1583-A1605 HydrophobicContact CG2-CB 3.95Å; L1589-A1605 HydrophobicContact CD1-CB 4.15Å; P1596-A1605 HydrophobicContact CG-CB 4.19Å; E1601-A1605 WeakPolarHBondContact O-CB 3.24Å; E1601-A1605 PolarHBondContact O-N 2.91Å; F1602-A1605 PolarHBondContact O-N 3.07Å; A1605-N1608 PolarHBondContact O-N 3.38Å; A1605-M1609 WeakPolarHBondContact O-CB 3.46Å; A1605-M1609 PolarHBondContact O-N 3.09Å |
| 1606 | V | 89.5 | Confident | 86.2 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.7 | -39 | 176.6 | 165.2 | 0 | 0 | 0 | 0 | 112.2 | F1602 L1604 N1608 M1609 P1610 C1615 W1616 Y1619 | F1602-V1606 VanDerWaalsContact O-CB 3.27Å; F1602-V1606 WeakPolarHBondContact O-CB 3.27Å; F1602-V1606 VanDerWaalsContact O-CG2 3.25Å; F1602-V1606 WeakPolarHBondContact O-CG2 3.46Å; F1602-V1606 PolarHBondContact O-N 2.86Å; L1604-V1606 VanDerWaalsContact C-N 3.32Å; L1604-V1606 PolarHBondContact O-N 2.86Å; V1606-N1608 VanDerWaalsContact C-N 3.32Å; V1606-M1609 CarbonylContact O-C 3.47Å; V1606-M1609 PolarHBondContact O-N 2.82Å; V1606-P1610 VanDerWaalsContact O-CA 3.25Å; V1606-P1610 WeakPolarHBondContact O-CA 3.37Å; V1606-P1610 WeakPolarHBondContact O-CD 3.4Å; V1606-P1610 VanDerWaalsContact O-N 3.08Å; V1606-C1615 HydrophobicContact CG2-CB 4.46Å; V1606-C1615 WeakPolarHBondContact CG2-SG 3.44Å; V1606-W1616 HydrophobicContact CG1-CD2 4.09Å; V1606-W1616 HydrophobicContact CG1-CE3 4.05Å; V1606-W1616 HydrophobicContact CG1-CH2 3.26Å; V1606-W1616 HydrophobicContact CG1-CZ2 3.28Å; V1606-W1616 HydrophobicContact CG1-CZ3 3.66Å; V1606-W1616 HydrophobicContact CG2-CD2 4.4Å; V1606-W1616 HydrophobicContact CG2-CE3 4.4Å; V1606-Y1619 HydrophobicContact CG2-CD1 4.06Å |
| 1607 | R | 86.8 | Confident | 86.5 | Confident | 178 Ų | 178 | 42.3 Ų | 42.3 | 67% | 0.672 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -64 | -38.3 | 175.6 | -174 | -170.5 | 72.6 | 179.5 | 3.9 | 111.7 | E1603 L1604 | E1603-R1607 WeakPolarHBondContact O-CB 3.39Å; E1603-R1607 PolarHBondContact O-N 3.03Å; L1604-R1607 PolarHBondContact O-N 3.19Å |
| 1608 | N | 85 | Confident | 86.8 | Confident | 38 Ų | 38 | 36.9 Ų | 36.9 | 20% | 0.203 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -79.1 | -30.1 | 178.9 | -64.7 | -0.1 | 0 | 0 | 0 | 111.9 | A1580 T1583 T1584 L1604 A1605 V1606 P1610 | A1580-N1608 PolarHBondContact O-ND2 3.01Å; A1580-N1608 VanDerWaalsContact O-ND2 3.16Å; T1583-N1608 PolarHBondContact OG1-ND2 3.46Å; T1584-N1608 HydrophobicContact CG2-CB 4.11Å; L1604-N1608 VanDerWaalsContact O-CG 3.31Å; L1604-N1608 PolarHBondContact O-N 3.47Å; L1604-N1608 PolarHBondContact O-OD1 2.89Å; A1605-N1608 PolarHBondContact O-N 3.38Å; V1606-N1608 VanDerWaalsContact C-N 3.32Å; N1608-P1610 VanDerWaalsContact C-CD 3.41Å; N1608-P1610 WeakPolarHBondContact O-CD 3.45Å |
| 1609 | M | 85.6 | Confident | 87.1 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 3% | 0.034 | 17% | 0.172 | C | C | . | . | trans | -125.1 | 51.7 | -175.8 | -58.7 | 169.6 | 30.2 | 0 | 0 | 114.2 | T1583 Q1587 C1588 L1589 A1605 V1606 S1611 N1612 C1615 | T1583-M1609 HydrophobicContact CG2-SD 3.84Å; T1583-M1609 VanDerWaalsContact O-CG 3.25Å; T1583-M1609 WeakPolarHBondContact O-CG 3.34Å; Q1587-M1609 WeakPolarHBondContact O-CE 3.31Å; C1588-M1609 VanDerWaalsContact C-CE 3.48Å; L1589-M1609 HydrophobicContact CB-CE 4.46Å; A1605-M1609 WeakPolarHBondContact O-CB 3.46Å; A1605-M1609 PolarHBondContact O-N 3.09Å; V1606-M1609 CarbonylContact O-C 3.47Å; V1606-M1609 PolarHBondContact O-N 2.82Å; M1609-S1611 PolarHBondContact O-N 2.77Å; M1609-N1612 HydrophobicContact CB-CB 4.17Å; M1609-N1612 HydrophobicContact CE-CB 3.77Å; M1609-N1612 WeakPolarHBondContact CE-ND2 3.37Å; M1609-N1612 PolarHBondContact O-N 2.87Å; M1609-C1615 HydrophobicContact CE-CB 4.1Å | ||
| 1610 | P | 85.4 | Confident | 87.3 | Confident | 59 Ų | 59 | 32.3 Ų | 32.3 | 38% | 0.383 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.8 | -169 | 25.9 | -35.8 | 0 | 0 | 0 | 114.3 | V1606 N1608 W1616 A1654 | V1606-P1610 VanDerWaalsContact O-CA 3.25Å; V1606-P1610 WeakPolarHBondContact O-CA 3.37Å; V1606-P1610 WeakPolarHBondContact O-CD 3.4Å; V1606-P1610 VanDerWaalsContact O-N 3.08Å; N1608-P1610 VanDerWaalsContact C-CD 3.41Å; N1608-P1610 WeakPolarHBondContact O-CD 3.45Å; P1610-W1616 PolarHBondContact O-NE1 2.81Å; P1610-A1654 HydrophobicContact CB-CB 4.3Å; P1610-A1654 WeakPolarHBondContact O-CB 3.29Å |
| 1611 | S | 82.7 | Confident | 87.2 | Confident | 39 Ų | 39 | 28 Ų | 28 | 27% | 0.273 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 3.4 | 178.9 | 78.3 | 0 | 0 | 0 | 0 | 114.6 | M1609 K1665 | M1609-S1611 PolarHBondContact O-N 2.77Å; S1611-K1665 WeakPolarHBondContact O-CD 3.47Å; S1611-K1665 WeakPolarHBondContact O-CE 3.36Å; S1611-K1665 PolarHBondContact O-NZ 2.64Å |
| 1612 | N | 86.1 | Confident | 87 | Confident | 25 Ų | 25 | 28.6 Ų | 28.6 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | trans | -98.1 | 110.7 | -177.5 | -171.9 | -44.3 | 0 | 0 | 0 | 111.4 | Q1587 M1609 F1614 C1615 W1616 | Q1587-N1612 PolarHBondContact O-ND2 2.86Å; M1609-N1612 HydrophobicContact CB-CB 4.17Å; M1609-N1612 HydrophobicContact CE-CB 3.77Å; M1609-N1612 WeakPolarHBondContact CE-ND2 3.37Å; M1609-N1612 PolarHBondContact O-N 2.87Å; N1612-F1614 VanDerWaalsContact C-N 3.28Å; N1612-F1614 PolarHBondContact O-N 2.81Å; N1612-F1614 WeakPolarHBondContact OD1-CB 3.33Å; N1612-F1614 PolarHBondContact OD1-N 3.29Å; N1612-C1615 HydrophobicContact CB-CB 4.26Å; N1612-C1615 WeakPolarHBondContact O-CB 2.96Å; N1612-C1615 PolarHBondContact O-N 3.36Å; N1612-C1615 PolarHBondContact OD1-N 2.9Å; N1612-W1616 VanDerWaalsContact O-CD1 3.27Å | ||
| 1613 | E | 86.2 | Confident | 86.8 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 3% | 0.033 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -29.1 | -177.1 | 66.8 | -89 | -143.3 | 0 | 0 | 113.9 | C1615 W1616 I1617 I1655 K1665 R1668 | E1613-C1615 VanDerWaalsContact C-N 3.35Å; E1613-W1616 PolarHBondContact O-N 3.04Å; E1613-I1617 WeakPolarHBondContact O-CB 3.22Å; E1613-I1617 WeakPolarHBondContact O-CD1 3.44Å; E1613-I1617 VanDerWaalsContact O-CG1 3.28Å; E1613-I1617 WeakPolarHBondContact O-CG1 3.25Å; E1613-I1617 PolarHBondContact O-N 3.1Å; E1613-I1655 HydrophobicContact CB-CD1 3.94Å; E1613-K1665 HydrophobicContact CB-CB 4.48Å; E1613-K1665 WeakPolarHBondContact OE2-CG 3.2Å; E1613-R1668 HydrophobicContact CG-CB 4.01Å; E1613-R1668 WeakPolarHBondContact OE1-CD 3.47Å; E1613-R1668 IonicContact OE1-CZ 2.65Å; E1613-R1668 IonicContact OE1-NE 3.36Å; E1613-R1668 IonicContact OE1-NH1 2.69Å; E1613-R1668 PolarHBondContact OE1-NH1 2.82Å |
| 1614 | F | 86.7 | Confident | 86.3 | Confident | 71 Ų | 71 | 27.1 Ų | 27.1 | 31% | 0.311 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -72.6 | -30.8 | 179.3 | -62 | -81.7 | 0 | 0 | 0 | 111.7 | Y1523 N1612 I1617 A1618 | Y1523-F1614 AromaticContact CD1-CD1 4Å; Y1523-F1614 HydrophobicContact CD1-CD1 4Å; Y1523-F1614 HydrophobicContact CD1-CE1 4.48Å; Y1523-F1614 AromaticContact CE1-CD1 3.94Å; Y1523-F1614 HydrophobicContact CE1-CD1 3.94Å; N1612-F1614 VanDerWaalsContact C-N 3.28Å; N1612-F1614 PolarHBondContact O-N 2.81Å; N1612-F1614 WeakPolarHBondContact OD1-CB 3.33Å; N1612-F1614 PolarHBondContact OD1-N 3.29Å; F1614-I1617 PolarHBondContact O-N 2.81Å; F1614-A1618 VanDerWaalsContact O-CB 3.28Å; F1614-A1618 WeakPolarHBondContact O-CB 3.11Å; F1614-A1618 PolarHBondContact O-N 2.81Å |
| 1615 | C | 87.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -46.8 | 173.6 | -164.6 | 0 | 0 | 0 | 0 | 111.3 | L1589 V1606 M1609 N1612 E1613 A1618 Y1619 | L1589-C1615 HydrophobicContact CD1-CB 4.38Å; V1606-C1615 HydrophobicContact CG2-CB 4.46Å; V1606-C1615 WeakPolarHBondContact CG2-SG 3.44Å; M1609-C1615 HydrophobicContact CE-CB 4.1Å; N1612-C1615 HydrophobicContact CB-CB 4.26Å; N1612-C1615 WeakPolarHBondContact O-CB 2.96Å; N1612-C1615 PolarHBondContact O-N 3.36Å; N1612-C1615 PolarHBondContact OD1-N 2.9Å; E1613-C1615 VanDerWaalsContact C-N 3.35Å; C1615-A1618 PolarHBondContact O-N 3.41Å; C1615-Y1619 WeakPolarHBondContact O-CB 3.45Å; C1615-Y1619 PolarHBondContact O-N 2.85Å |
| 1616 | W | 91.7 | Very high | 84.6 | Confident | 9 Ų | 9 | 32.6 Ų | 32.6 | 3% | 0.034 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.5 | -39 | 175 | -68.1 | 106.1 | 0 | 0 | 0 | 112.9 | V1606 P1610 N1612 E1613 M1620 I1647 R1650 A1654 L1669 | V1606-W1616 HydrophobicContact CG1-CD2 4.09Å; V1606-W1616 HydrophobicContact CG1-CE3 4.05Å; V1606-W1616 HydrophobicContact CG1-CH2 3.26Å; V1606-W1616 HydrophobicContact CG1-CZ2 3.28Å; V1606-W1616 HydrophobicContact CG1-CZ3 3.66Å; V1606-W1616 HydrophobicContact CG2-CD2 4.4Å; V1606-W1616 HydrophobicContact CG2-CE3 4.4Å; P1610-W1616 PolarHBondContact O-NE1 2.81Å; N1612-W1616 VanDerWaalsContact O-CD1 3.27Å; E1613-W1616 PolarHBondContact O-N 3.04Å; W1616-M1620 WeakPolarHBondContact O-CB 3.33Å; W1616-M1620 PolarHBondContact O-N 2.99Å; W1616-I1647 HydrophobicContact CE3-CG2 3.88Å; W1616-I1647 VanDerWaalsContact CE3-O 3.23Å; W1616-I1647 HydrophobicContact CZ3-CG2 4.24Å; W1616-I1647 VanDerWaalsContact CZ3-O 3.26Å; W1616-I1647 WeakPolarHBondContact CZ3-O 2.89Å; W1616-R1650 HydrophobicContact CH2-CB 3.72Å; W1616-R1650 HydrophobicContact CZ3-CB 3.7Å; W1616-A1654 HydrophobicContact CH2-CB 4.49Å; W1616-A1654 HydrophobicContact CZ2-CB 3.57Å; W1616-L1669 HydrophobicContact CB-CD1 4.01Å; W1616-L1669 HydrophobicContact CB-CD2 4.18Å; W1616-L1669 HydrophobicContact CG-CD2 4.49Å |
| 1617 | I | 88.5 | Confident | 83 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 174.4 | -78 | 166.1 | 0 | 0 | 0 | 111.6 | M1522 E1613 F1614 M1620 T1621 L1669 S1672 | M1522-I1617 HydrophobicContact CB-CG2 4.39Å; M1522-I1617 HydrophobicContact CE-CB 4.43Å; M1522-I1617 HydrophobicContact CE-CG1 4.25Å; M1522-I1617 HydrophobicContact CE-CG2 3.51Å; M1522-I1617 HydrophobicContact SD-CG2 4.26Å; E1613-I1617 WeakPolarHBondContact O-CB 3.22Å; E1613-I1617 WeakPolarHBondContact O-CD1 3.44Å; E1613-I1617 VanDerWaalsContact O-CG1 3.28Å; E1613-I1617 WeakPolarHBondContact O-CG1 3.25Å; E1613-I1617 PolarHBondContact O-N 3.1Å; F1614-I1617 PolarHBondContact O-N 2.81Å; I1617-M1620 PolarHBondContact O-N 3.25Å; I1617-T1621 WeakPolarHBondContact O-CB 3.34Å; I1617-T1621 PolarHBondContact O-N 2.67Å; I1617-T1621 PolarHBondContact O-OG1 2.83Å; I1617-L1669 HydrophobicContact CG1-CD1 4Å; I1617-S1672 WeakPolarHBondContact CD1-OG 3.34Å |
| 1618 | A | 86.3 | Confident | 81.1 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y1523 L1589 F1602 F1614 C1615 T1621 H1622 | Y1523-A1618 WeakPolarHBondContact OH-CB 3.49Å; L1589-A1618 HydrophobicContact CD2-CB 3.48Å; L1589-A1618 VanDerWaalsContact CD2-CB 3.48Å; F1602-A1618 HydrophobicContact CE1-CB 3.64Å; F1602-A1618 HydrophobicContact CZ-CB 4.27Å; F1614-A1618 VanDerWaalsContact O-CB 3.28Å; F1614-A1618 WeakPolarHBondContact O-CB 3.11Å; F1614-A1618 PolarHBondContact O-N 2.81Å; C1615-A1618 PolarHBondContact O-N 3.41Å; A1618-T1621 WeakPolarHBondContact O-CB 3.25Å; A1618-T1621 PolarHBondContact O-N 2.95Å; A1618-H1622 WeakPolarHBondContact O-CB 3.36Å; A1618-H1622 PolarHBondContact O-N 3Å |
| 1619 | Y | 89.7 | Confident | 78.9 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 177.4 | -173.3 | -161.7 | 0 | 0 | 0 | 112.7 | T1599 F1602 E1603 V1606 C1615 T1621 H1622 I1623 I1647 | T1599-Y1619 HydrophobicContact CG2-CE2 4.04Å; T1599-Y1619 WeakPolarHBondContact CG2-OH 3.33Å; F1602-Y1619 HydrophobicContact CB-CD1 4.27Å; F1602-Y1619 HydrophobicContact CB-CD2 3.42Å; F1602-Y1619 VanDerWaalsContact CB-CD2 3.42Å; F1602-Y1619 HydrophobicContact CB-CE2 3.86Å; F1602-Y1619 HydrophobicContact CB-CG 3.68Å; F1602-Y1619 HydrophobicContact CD1-CD2 4.36Å; F1602-Y1619 HydrophobicContact CD1-CG 4.26Å; F1602-Y1619 HydrophobicContact CD2-CD2 4.3Å; F1602-Y1619 AromaticContact CG-CD2 3.79Å; F1602-Y1619 HydrophobicContact CG-CD2 3.79Å; F1602-Y1619 HydrophobicContact CG-CG 4.08Å; E1603-Y1619 VanDerWaalsContact CD-OH 3.32Å; E1603-Y1619 HydrophobicContact CG-CE1 4.07Å; E1603-Y1619 WeakPolarHBondContact CG-OH 3.21Å; E1603-Y1619 WeakPolarHBondContact OE1-CE1 3.45Å; E1603-Y1619 VanDerWaalsContact OE1-CZ 3.28Å; E1603-Y1619 PolarHBondContact OE1-OH 3.06Å; V1606-Y1619 HydrophobicContact CG2-CD1 4.06Å; C1615-Y1619 WeakPolarHBondContact O-CB 3.45Å; C1615-Y1619 PolarHBondContact O-N 2.85Å; Y1619-T1621 VanDerWaalsContact C-N 3.28Å; Y1619-T1621 PolarHBondContact O-N 3.26Å; Y1619-H1622 PolarHBondContact O-N 2.87Å; Y1619-I1623 HydrophobicContact CD2-CG1 4.04Å; Y1619-I1623 HydrophobicContact CE2-CD1 3.95Å; Y1619-I1623 HydrophobicContact CE2-CG1 3.7Å; Y1619-I1623 PolarHBondContact O-N 3.49Å; Y1619-I1623 VanDerWaalsContact O-N 3.11Å; Y1619-I1647 HydrophobicContact CD1-CB 4.42Å; Y1619-I1647 HydrophobicContact CD1-CD1 3.98Å; Y1619-I1647 HydrophobicContact CD1-CG1 4.04Å; Y1619-I1647 HydrophobicContact CD1-CG2 3.49Å; Y1619-I1647 VanDerWaalsContact CD1-CG2 3.49Å; Y1619-I1647 HydrophobicContact CD2-CD1 4.01Å; Y1619-I1647 HydrophobicContact CE1-CD1 3.66Å; Y1619-I1647 HydrophobicContact CE1-CG1 3.69Å; Y1619-I1647 HydrophobicContact CE1-CG2 4.02Å; Y1619-I1647 HydrophobicContact CE2-CD1 3.66Å; Y1619-I1647 HydrophobicContact CG-CD1 4.14Å; Y1619-I1647 HydrophobicContact CG-CG2 3.93Å; Y1619-I1647 VanDerWaalsContact CZ-CD1 3.47Å |
| 1620 | M | 89.6 | Confident | 76.4 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.3 | -44.3 | 171 | -176.7 | -159.4 | 69.4 | 0 | 0 | 111.1 | M1522 W1616 I1617 L1624 A1644 V1648 M1676 | M1522-M1620 HydrophobicContact CE-CE 3.72Å; M1522-M1620 HydrophobicContact SD-CE 4.41Å; W1616-M1620 WeakPolarHBondContact O-CB 3.33Å; W1616-M1620 PolarHBondContact O-N 2.99Å; I1617-M1620 PolarHBondContact O-N 3.25Å; M1620-L1624 HydrophobicContact CE-CD1 4.44Å; M1620-L1624 HydrophobicContact CG-CD1 4.22Å; M1620-L1624 VanDerWaalsContact O-CG 3.31Å; M1620-L1624 WeakPolarHBondContact O-CG 3.28Å; M1620-L1624 PolarHBondContact O-N 3.21Å; M1620-A1644 HydrophobicContact CG-CB 4Å; M1620-V1648 HydrophobicContact CB-CG2 3.96Å; M1620-V1648 HydrophobicContact CG-CG2 3.63Å; M1620-V1648 HydrophobicContact SD-CG2 3.47Å; M1620-V1648 WeakPolarHBondContact SD-CG2 3.49Å; M1620-M1676 HydrophobicContact CG-SD 4.31Å; M1620-M1676 HydrophobicContact SD-SD 4.12Å |
| 1621 | T | 84.1 | Confident | 73.7 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 18% | 0.184 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 178.9 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | L1515 I1617 A1618 Y1619 L1624 S1625 | L1515-T1621 HydrophobicContact CD2-CG2 4.13Å; I1617-T1621 WeakPolarHBondContact O-CB 3.34Å; I1617-T1621 PolarHBondContact O-N 2.67Å; I1617-T1621 PolarHBondContact O-OG1 2.83Å; A1618-T1621 WeakPolarHBondContact O-CB 3.25Å; A1618-T1621 PolarHBondContact O-N 2.95Å; Y1619-T1621 VanDerWaalsContact C-N 3.28Å; Y1619-T1621 PolarHBondContact O-N 3.26Å; T1621-L1624 CarbonylContact O-C 3.45Å; T1621-L1624 PolarHBondContact O-N 2.95Å; T1621-S1625 PolarHBondContact O-N 2.88Å; T1621-S1625 PolarHBondContact O-OG 3.29Å |
| 1622 | H | 83.1 | Confident | 71.2 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 178.1 | 179.9 | 68.7 | 0 | 0 | 0 | 113.1 | Q1597 T1599 F1602 A1618 Y1619 L1624 S1625 N1626 | Q1597-H1622 PolarHBondContact O-CE1 2.87Å; T1599-H1622 PolarHBondContact N-NE2 3.47Å; F1602-H1622 HydrophobicContact CD2-CB 3.87Å; F1602-H1622 AromaticContact CD2-CD2 3.5Å; F1602-H1622 VanDerWaalsContact CD2-CD2 3.5Å; F1602-H1622 WeakPolarHBondContact CD2-CD2 3.12Å; F1602-H1622 AromaticContact CD2-CG 3.58Å; F1602-H1622 HydrophobicContact CE2-CB 3.46Å; F1602-H1622 VanDerWaalsContact CE2-CB 3.46Å; F1602-H1622 AromaticContact CE2-CD2 3.75Å; F1602-H1622 AromaticContact CE2-CG 3.32Å; F1602-H1622 AromaticContact CE2-ND1 3.64Å; F1602-H1622 HydrophobicContact CZ-CB 3.96Å; A1618-H1622 WeakPolarHBondContact O-CB 3.36Å; A1618-H1622 PolarHBondContact O-N 3Å; Y1619-H1622 PolarHBondContact O-N 2.87Å; H1622-L1624 VanDerWaalsContact C-N 3.29Å; H1622-L1624 PolarHBondContact O-N 3.28Å; H1622-S1625 WeakPolarHBondContact CA-OG 3.17Å; H1622-S1625 PolarHBondContact O-N 3.3Å; H1622-S1625 PolarHBondContact O-OG 3Å; H1622-N1626 VanDerWaalsContact CE1-CG 3.5Å; H1622-N1626 PolarHBondContact CE1-ND2 3.35Å; H1622-N1626 PolarHBondContact CE1-OD1 3.42Å; H1622-N1626 PolarHBondContact NE2-ND2 2.87Å; H1622-N1626 WeakPolarHBondContact O-CB 3.28Å; H1622-N1626 PolarHBondContact O-N 3.3Å |
| 1623 | I | 84.4 | Confident | 68.5 | Low | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.4 | -29.8 | 176.1 | -66.6 | -53.9 | 0 | 0 | 0 | 112.3 | T1599 Y1619 D1643 A1644 I1647 | T1599-I1623 HydrophobicContact CG2-CD1 4.42Å; Y1619-I1623 HydrophobicContact CD2-CG1 4.04Å; Y1619-I1623 HydrophobicContact CE2-CD1 3.95Å; Y1619-I1623 HydrophobicContact CE2-CG1 3.7Å; Y1619-I1623 PolarHBondContact O-N 3.49Å; Y1619-I1623 VanDerWaalsContact O-N 3.11Å; I1623-D1643 HydrophobicContact CG2-CB 3.87Å; I1623-A1644 HydrophobicContact CG2-CB 4.32Å; I1623-I1647 HydrophobicContact CB-CD1 4.25Å; I1623-I1647 HydrophobicContact CG1-CD1 3.51Å |
| 1624 | L | 79.5 | Confident | 66.2 | Low | 22 Ų | 22 | 47.3 Ų | 47.3 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -75.7 | -24.8 | 172.6 | -68 | 172.6 | 0 | 0 | 0 | 113.2 | M1620 T1621 H1622 V1628 V1641 A1644 M1676 | M1620-L1624 HydrophobicContact CE-CD1 4.44Å; M1620-L1624 HydrophobicContact CG-CD1 4.22Å; M1620-L1624 VanDerWaalsContact O-CG 3.31Å; M1620-L1624 WeakPolarHBondContact O-CG 3.28Å; M1620-L1624 PolarHBondContact O-N 3.21Å; T1621-L1624 CarbonylContact O-C 3.45Å; T1621-L1624 PolarHBondContact O-N 2.95Å; H1622-L1624 VanDerWaalsContact C-N 3.29Å; H1622-L1624 PolarHBondContact O-N 3.28Å; L1624-V1628 VanDerWaalsContact O-CG2 3.23Å; L1624-V1628 WeakPolarHBondContact O-CG2 3.34Å; L1624-V1641 HydrophobicContact CD2-CG2 4.38Å; L1624-A1644 HydrophobicContact CD1-CB 4.5Å; L1624-A1644 HydrophobicContact CD2-CB 3.97Å; L1624-A1644 HydrophobicContact CG-CB 3.98Å; L1624-M1676 HydrophobicContact CD1-CG 4.24Å; L1624-M1676 HydrophobicContact CD1-SD 4.05Å; L1624-M1676 HydrophobicContact CD2-SD 4.4Å |
| 1625 | S | 74.2 | Confident | 64 | Low | 39 Ų | 39 | 47.7 Ų | 47.7 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -85.1 | -45.1 | 175.7 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | T1621 H1622 K1627 V1628 | T1621-S1625 PolarHBondContact O-N 2.88Å; T1621-S1625 PolarHBondContact O-OG 3.29Å; H1622-S1625 WeakPolarHBondContact CA-OG 3.17Å; H1622-S1625 PolarHBondContact O-N 3.3Å; H1622-S1625 PolarHBondContact O-OG 3Å; S1625-K1627 PolarHBondContact O-N 3.41Å; S1625-V1628 WeakPolarHBondContact O-CB 3.37Å; S1625-V1628 WeakPolarHBondContact O-CG2 3.47Å; S1625-V1628 PolarHBondContact O-N 2.79Å; S1625-V1628 VanDerWaalsContact O-N 3.13Å |
| 1626 | N | 63.8 | Low | 61.6 | Low | 102 Ų | 102 | 49.8 Ų | 49.8 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -3.8 | -170.1 | -86.5 | 25.4 | 0 | 0 | 0 | 115.6 | H1622 | H1622-N1626 VanDerWaalsContact CE1-CG 3.5Å; H1622-N1626 PolarHBondContact CE1-ND2 3.35Å; H1622-N1626 PolarHBondContact CE1-OD1 3.42Å; H1622-N1626 PolarHBondContact NE2-ND2 2.87Å; H1622-N1626 WeakPolarHBondContact O-CB 3.28Å; H1622-N1626 PolarHBondContact O-N 3.3Å |
| 1627 | K | 55.9 | Low | 59.6 | Low | 64 Ų | 64 | 51.5 Ų | 51.5 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 13.4 | 178.3 | -62.8 | 174.5 | -176.7 | 165.6 | 0 | 113.6 | S1625 K1639 D1643 | S1625-K1627 PolarHBondContact O-N 3.41Å; K1627-K1639 PolarHBondContact NZ-O 2.72Å; K1627-D1643 IonicContact NZ-OD2 3.82Å; K1627-D1643 PolarHBondContact NZ-OD2 3.08Å |
| 1628 | V | 48.4 | Very low | 58.5 | Low | 31 Ų | 31 | 54.3 Ų | 54.3 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -91.8 | -27.1 | -177.1 | -179.4 | 0 | 0 | 0 | 0 | 112.8 | N1508 F1510 L1624 S1625 | N1508-V1628 WeakPolarHBondContact ND2-CG1 3.48Å; F1510-V1628 HydrophobicContact CB-CG2 4.37Å; L1624-V1628 VanDerWaalsContact O-CG2 3.23Å; L1624-V1628 WeakPolarHBondContact O-CG2 3.34Å; S1625-V1628 WeakPolarHBondContact O-CB 3.37Å; S1625-V1628 WeakPolarHBondContact O-CG2 3.47Å; S1625-V1628 PolarHBondContact O-N 2.79Å; S1625-V1628 VanDerWaalsContact O-N 3.13Å |
| 1629 | D | 36.8 | Very low | 57.8 | Low | 112 Ų | 112 | 60.5 Ų | 60.5 | 60% | 0.599 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -97.7 | 149.4 | -179.5 | -66 | -40.9 | 0 | 0 | 0 | 111.7 | ||
| 1630 | H | 34.5 | Very low | 57.1 | Low | 168 Ų | 168 | 60.2 Ų | 60.2 | 78% | 0.778 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 68.2 | 95 | -175.9 | -51.4 | -76.1 | 0 | 0 | 0 | 118.4 | ||
| 1631 | Q | 28.1 | Very low | 56.8 | Low | 79 Ų | 79 | 60.2 Ų | 60.2 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 52.6 | 64 | 133.8 | -65 | 160.3 | 29.5 | 0 | 0 | 120 | D412 | D412-Q1631 HydrophobicContact CB-CG 3.96Å; D412-Q1631 WeakPolarHBondContact OD2-CG 3.47Å; D412-Q1631 PolarHBondContact OD2-NE2 3.31Å; D412-Q1631 VanDerWaalsContact OD2-NE2 3.07Å |
| 1632 | S | 29.9 | Very low | 56.8 | Low | 76 Ų | 76 | 62.7 Ų | 62.7 | 53% | 0.531 | 34% | 0.343 | S | S | . | . | trans | -174.3 | 136.9 | 132.7 | 44.1 | 0 | 0 | 0 | 0 | 112 | S1636 | S1632-S1636 PolarHBondContact O-OG 2.9Š| ||
| 1633 | V | 30.6 | Very low | 56.9 | Low | 81 Ų | 81 | 64.7 Ų | 64.7 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -112.2 | 67.8 | -162.1 | -167 | 0 | 0 | 0 | 0 | 113.2 | K385 | K385-V1633 WeakPolarHBondContact CG-O 3.5Š|
| 1634 | S | 37 | Very low | 57 | Low | 56 Ų | 56 | 64 Ų | 64 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -166.9 | -53.1 | 159.6 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1635 | S | 40.4 | Very low | 57.6 | Low | 79 Ų | 79 | 64.2 Ų | 64.2 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -93.4 | -36.8 | -162.5 | 48.7 | 0 | 0 | 0 | 0 | 114.5 | L1637 N1638 | S1635-L1637 VanDerWaalsContact C-N 3.28Å; S1635-L1637 PolarHBondContact O-N 3.46Å; S1635-N1638 PolarHBondContact O-N 3.25Å |
| 1636 | S | 37.7 | Very low | 58.3 | Low | 44 Ų | 44 | 64.4 Ų | 64.4 | 31% | 0.308 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -52.7 | -41.6 | -179.5 | 48.9 | 0 | 0 | 0 | 0 | 113.4 | S1632 N1638 K1639 G1640 | S1632-S1636 PolarHBondContact O-OG 2.9Å; S1636-N1638 PolarHBondContact O-N 3.28Å; S1636-K1639 PolarHBondContact O-N 2.99Å; S1636-G1640 PolarHBondContact O-N 2.88Å; S1636-G1640 VanDerWaalsContact O-N 3.12Å |
| 1637 | L | 49.3 | Very low | 59.6 | Low | 46 Ų | 46 | 59.8 Ų | 59.8 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.9 | -36.8 | -176.5 | -159.8 | 74.4 | 0 | 0 | 0 | 113 | F1510 S1635 K1639 G1640 V1641 | F1510-L1637 HydrophobicContact CD2-CD1 4.28Å; F1510-L1637 HydrophobicContact CE2-CD1 4.48Å; F1510-L1637 HydrophobicContact CE2-CD2 4.47Å; S1635-L1637 VanDerWaalsContact C-N 3.28Å; S1635-L1637 PolarHBondContact O-N 3.46Å; L1637-K1639 VanDerWaalsContact C-N 3.32Å; L1637-K1639 PolarHBondContact O-N 3.36Å; L1637-G1640 WeakPolarHBondContact O-CA 3.27Å; L1637-G1640 PolarHBondContact O-N 3.33Å; L1637-V1641 PolarHBondContact O-N 2.58Å; L1637-V1641 VanDerWaalsContact O-N 3.14Å |
| 1638 | N | 64.4 | Low | 61.3 | Low | 63 Ų | 63 | 56.8 Ų | 56.8 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 176.7 | -75.4 | 34.2 | 0 | 0 | 0 | 110.6 | S1635 S1636 G1640 V1641 I1642 R1683 | S1635-N1638 PolarHBondContact O-N 3.25Å; S1636-N1638 PolarHBondContact O-N 3.28Å; N1638-G1640 VanDerWaalsContact C-N 3.28Å; N1638-G1640 PolarHBondContact O-N 2.98Å; N1638-V1641 PolarHBondContact O-N 2.96Å; N1638-I1642 WeakPolarHBondContact O-CD1 3.23Å; N1638-I1642 VanDerWaalsContact O-CG1 3.29Å; N1638-I1642 WeakPolarHBondContact O-CG1 3.4Å; N1638-I1642 PolarHBondContact O-N 3.23Å; N1638-R1683 PolarHBondContact OD1-NH2 3.5Å |
| 1639 | K | 72.2 | Confident | 63.3 | Low | 134 Ų | 134 | 59.1 Ų | 59.1 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.8 | -27.8 | 174.2 | -167.5 | 173 | -177.4 | 178.7 | 0 | 112.5 | K1627 S1636 L1637 D1643 | K1627-K1639 PolarHBondContact NZ-O 2.72Å; S1636-K1639 PolarHBondContact O-N 2.99Å; L1637-K1639 VanDerWaalsContact C-N 3.32Å; L1637-K1639 PolarHBondContact O-N 3.36Å; K1639-D1643 WeakPolarHBondContact O-CB 3.37Å; K1639-D1643 PolarHBondContact O-N 2.87Å; K1639-D1643 VanDerWaalsContact O-N 3.12Å |
| 1640 | G | 76 | Confident | 66 | Low | 3 Ų | 3 | 56.9 Ų | 56.9 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.3 | -52.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1636 L1637 N1638 A1644 | S1636-G1640 PolarHBondContact O-N 2.88Å; S1636-G1640 VanDerWaalsContact O-N 3.12Å; L1637-G1640 WeakPolarHBondContact O-CA 3.27Å; L1637-G1640 PolarHBondContact O-N 3.33Å; N1638-G1640 VanDerWaalsContact C-N 3.28Å; N1638-G1640 PolarHBondContact O-N 2.98Å; G1640-A1644 VanDerWaalsContact O-CB 3.29Å; G1640-A1644 WeakPolarHBondContact O-CB 3.46Å; G1640-A1644 PolarHBondContact O-N 3.26Å |
| 1641 | V | 82.5 | Confident | 68.6 | Low | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.5 | -37.8 | -179.2 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | L1624 L1637 N1638 R1645 M1676 E1680 | L1624-V1641 HydrophobicContact CD2-CG2 4.38Å; L1637-V1641 PolarHBondContact O-N 2.58Å; L1637-V1641 VanDerWaalsContact O-N 3.14Å; N1638-V1641 PolarHBondContact O-N 2.96Å; V1641-R1645 VanDerWaalsContact O-CB 3.27Å; V1641-R1645 WeakPolarHBondContact O-CB 3.25Å; V1641-R1645 PolarHBondContact O-N 2.8Å; V1641-M1676 HydrophobicContact CG1-CE 4.01Å; V1641-M1676 HydrophobicContact CG1-SD 4.31Å; V1641-E1680 HydrophobicContact CG1-CG 4.36Å |
| 1642 | I | 85 | Confident | 71.5 | Confident | 83 Ų | 83 | 46.6 Ų | 46.6 | 43% | 0.426 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 177.7 | -68.3 | 163.4 | 0 | 0 | 0 | 111.7 | N1638 R1645 A1646 | N1638-I1642 WeakPolarHBondContact O-CD1 3.23Å; N1638-I1642 VanDerWaalsContact O-CG1 3.29Å; N1638-I1642 WeakPolarHBondContact O-CG1 3.4Å; N1638-I1642 PolarHBondContact O-N 3.23Å; I1642-R1645 WeakPolarHBondContact O-CB 3.16Å; I1642-R1645 PolarHBondContact O-N 3.4Å; I1642-A1646 PolarHBondContact O-N 3.05Å; I1642-A1646 VanDerWaalsContact O-N 3.11Å |
| 1643 | D | 83.5 | Confident | 74.3 | Confident | 58 Ų | 58 | 46.7 Ų | 46.7 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.8 | -40 | 179.3 | -64.3 | -9 | 0 | 0 | 0 | 110.6 | I1623 K1627 K1639 A1646 I1647 | I1623-D1643 HydrophobicContact CG2-CB 3.87Å; K1627-D1643 IonicContact NZ-OD2 3.82Å; K1627-D1643 PolarHBondContact NZ-OD2 3.08Å; K1639-D1643 WeakPolarHBondContact O-CB 3.37Å; K1639-D1643 PolarHBondContact O-N 2.87Å; K1639-D1643 VanDerWaalsContact O-N 3.12Å; D1643-A1646 PolarHBondContact O-N 3.27Å; D1643-I1647 WeakPolarHBondContact O-CG1 3.5Å; D1643-I1647 PolarHBondContact O-N 2.91Å; D1643-I1647 VanDerWaalsContact O-N 3.15Å |
| 1644 | A | 86.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1620 I1623 L1624 G1640 I1647 V1648 M1676 | M1620-A1644 HydrophobicContact CG-CB 4Å; I1623-A1644 HydrophobicContact CG2-CB 4.32Å; L1624-A1644 HydrophobicContact CD1-CB 4.5Å; L1624-A1644 HydrophobicContact CD2-CB 3.97Å; L1624-A1644 HydrophobicContact CG-CB 3.98Å; G1640-A1644 VanDerWaalsContact O-CB 3.29Å; G1640-A1644 WeakPolarHBondContact O-CB 3.46Å; G1640-A1644 PolarHBondContact O-N 3.26Å; A1644-I1647 WeakPolarHBondContact O-CB 3.22Å; A1644-I1647 PolarHBondContact O-N 2.88Å; A1644-V1648 WeakPolarHBondContact O-CG2 3.46Å; A1644-V1648 PolarHBondContact O-N 2.94Å; A1644-M1676 HydrophobicContact CB-SD 3.78Å |
| 1645 | R | 91.8 | Very high | 79.3 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 173.4 | -180 | -177.5 | -58.8 | 134.2 | 2.3 | 111.6 | V1641 I1642 I1647 V1648 E1649 Y1673 M1676 E1677 | V1641-R1645 VanDerWaalsContact O-CB 3.27Å; V1641-R1645 WeakPolarHBondContact O-CB 3.25Å; V1641-R1645 PolarHBondContact O-N 2.8Å; I1642-R1645 WeakPolarHBondContact O-CB 3.16Å; I1642-R1645 PolarHBondContact O-N 3.4Å; R1645-I1647 VanDerWaalsContact C-N 3.27Å; R1645-I1647 PolarHBondContact O-N 3.02Å; R1645-V1648 PolarHBondContact O-N 3.1Å; R1645-V1648 VanDerWaalsContact O-N 3.13Å; R1645-E1649 HydrophobicContact CG-CG 4.36Å; R1645-E1649 WeakPolarHBondContact CG-OE1 3.33Å; R1645-E1649 WeakPolarHBondContact O-CB 3.5Å; R1645-E1649 WeakPolarHBondContact O-CG 3.42Å; R1645-E1649 PolarHBondContact O-N 2.96Å; R1645-Y1673 HydrophobicContact CG-CE2 4.02Å; R1645-Y1673 WeakPolarHBondContact CG-OH 3.31Å; R1645-M1676 HydrophobicContact CB-CE 4.08Å; R1645-E1677 IonicContact CZ-OE1 3.86Å; R1645-E1677 IonicContact NE-OE1 2.98Å; R1645-E1677 PolarHBondContact NE-OE1 3.27Å; R1645-E1677 VanDerWaalsContact NH2-CD 3.28Å; R1645-E1677 IonicContact NH2-OE1 3.31Å; R1645-E1677 PolarHBondContact NH2-OE1 3.38Å; R1645-E1677 IonicContact NH2-OE2 3.74Å; R1645-E1677 PolarHBondContact NH2-OE2 2.74Å |
| 1646 | A | 90.2 | Very high | 81.2 | Confident | 44 Ų | 44 | 39.9 Ų | 39.9 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.4 | -33.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1642 D1643 R1650 | I1642-A1646 PolarHBondContact O-N 3.05Å; I1642-A1646 VanDerWaalsContact O-N 3.11Å; D1643-A1646 PolarHBondContact O-N 3.27Å; A1646-R1650 WeakPolarHBondContact O-CB 3.47Å; A1646-R1650 WeakPolarHBondContact O-CG 3.38Å; A1646-R1650 PolarHBondContact O-N 2.97Å |
| 1647 | I | 91 | Very high | 82.9 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -46.7 | 172.6 | -71.8 | 161.6 | 0 | 0 | 0 | 110.9 | W1616 Y1619 I1623 D1643 A1644 R1645 R1650 G1651 | W1616-I1647 HydrophobicContact CE3-CG2 3.88Å; W1616-I1647 VanDerWaalsContact CE3-O 3.23Å; W1616-I1647 HydrophobicContact CZ3-CG2 4.24Å; W1616-I1647 VanDerWaalsContact CZ3-O 3.26Å; W1616-I1647 WeakPolarHBondContact CZ3-O 2.89Å; Y1619-I1647 HydrophobicContact CD1-CB 4.42Å; Y1619-I1647 HydrophobicContact CD1-CD1 3.98Å; Y1619-I1647 HydrophobicContact CD1-CG1 4.04Å; Y1619-I1647 HydrophobicContact CD1-CG2 3.49Å; Y1619-I1647 VanDerWaalsContact CD1-CG2 3.49Å; Y1619-I1647 HydrophobicContact CD2-CD1 4.01Å; Y1619-I1647 HydrophobicContact CE1-CD1 3.66Å; Y1619-I1647 HydrophobicContact CE1-CG1 3.69Å; Y1619-I1647 HydrophobicContact CE1-CG2 4.02Å; Y1619-I1647 HydrophobicContact CE2-CD1 3.66Å; Y1619-I1647 HydrophobicContact CG-CD1 4.14Å; Y1619-I1647 HydrophobicContact CG-CG2 3.93Å; Y1619-I1647 VanDerWaalsContact CZ-CD1 3.47Å; I1623-I1647 HydrophobicContact CB-CD1 4.25Å; I1623-I1647 HydrophobicContact CG1-CD1 3.51Å; D1643-I1647 WeakPolarHBondContact O-CG1 3.5Å; D1643-I1647 PolarHBondContact O-N 2.91Å; D1643-I1647 VanDerWaalsContact O-N 3.15Å; A1644-I1647 WeakPolarHBondContact O-CB 3.22Å; A1644-I1647 PolarHBondContact O-N 2.88Å; R1645-I1647 VanDerWaalsContact C-N 3.27Å; R1645-I1647 PolarHBondContact O-N 3.02Å; I1647-R1650 PolarHBondContact O-N 2.85Å; I1647-G1651 PolarHBondContact O-N 3.36Å |
| 1648 | V | 91 | Very high | 83.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -38.6 | 179.3 | 174.2 | 0 | 0 | 0 | 0 | 112.2 | M1620 A1644 R1645 G1651 L1652 L1669 Y1673 | M1620-V1648 HydrophobicContact CB-CG2 3.96Å; M1620-V1648 HydrophobicContact CG-CG2 3.63Å; M1620-V1648 HydrophobicContact SD-CG2 3.47Å; M1620-V1648 WeakPolarHBondContact SD-CG2 3.49Å; A1644-V1648 WeakPolarHBondContact O-CG2 3.46Å; A1644-V1648 PolarHBondContact O-N 2.94Å; R1645-V1648 PolarHBondContact O-N 3.1Å; R1645-V1648 VanDerWaalsContact O-N 3.13Å; V1648-G1651 PolarHBondContact O-N 3.09Å; V1648-G1651 VanDerWaalsContact O-N 3.15Å; V1648-L1652 HydrophobicContact CG1-CD1 4.22Å; V1648-L1652 WeakPolarHBondContact O-CG 3.49Å; V1648-L1652 PolarHBondContact O-N 3.42Å; V1648-L1669 HydrophobicContact CG1-CD1 4.09Å; V1648-L1669 HydrophobicContact CG1-CG 4.1Å; V1648-L1669 HydrophobicContact CG2-CD1 4.34Å; V1648-Y1673 HydrophobicContact CB-CG 4.46Å; V1648-Y1673 HydrophobicContact CG1-CD1 3.58Å; V1648-Y1673 HydrophobicContact CG1-CD2 4.09Å; V1648-Y1673 HydrophobicContact CG1-CE1 4.3Å; V1648-Y1673 HydrophobicContact CG1-CG 3.5Å; V1648-Y1673 VanDerWaalsContact CG1-CG 3.5Å |
| 1649 | E | 91.5 | Very high | 83.8 | Confident | 80 Ų | 80 | 47.1 Ų | 47.1 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -72.1 | -27.9 | 176.1 | -71 | 171.5 | 176.8 | 0 | 0 | 112.8 | R1645 R1653 Y1673 | R1645-E1649 HydrophobicContact CG-CG 4.36Å; R1645-E1649 WeakPolarHBondContact CG-OE1 3.33Å; R1645-E1649 WeakPolarHBondContact O-CB 3.5Å; R1645-E1649 WeakPolarHBondContact O-CG 3.42Å; R1645-E1649 PolarHBondContact O-N 2.96Å; E1649-R1653 WeakPolarHBondContact O-CG 3.21Å; E1649-R1653 PolarHBondContact O-N 2.86Å; E1649-R1653 PolarHBondContact O-NE 2.91Å; E1649-Y1673 HydrophobicContact CG-CE1 4.14Å; E1649-Y1673 PolarHBondContact OE1-OH 3.33Å |
| 1650 | R | 92.4 | Very high | 83.3 | Confident | 66 Ų | 66 | 44.1 Ų | 44.1 | 25% | 0.249 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -43.9 | 163.2 | -79.2 | -168.9 | -67.5 | 151.1 | -8.2 | 111 | E1603 W1616 A1646 I1647 R1653 A1654 | E1603-R1650 IonicContact OE1-CZ 3.19Å; E1603-R1650 IonicContact OE1-NH1 3.93Å; E1603-R1650 PolarHBondContact OE1-NH1 2.92Å; E1603-R1650 IonicContact OE1-NH2 2.66Å; E1603-R1650 PolarHBondContact OE1-NH2 2.68Å; E1603-R1650 IonicContact OE2-CZ 3Å; E1603-R1650 IonicContact OE2-NH1 2.76Å; E1603-R1650 PolarHBondContact OE2-NH1 2.63Å; E1603-R1650 IonicContact OE2-NH2 3.32Å; W1616-R1650 HydrophobicContact CH2-CB 3.72Å; W1616-R1650 HydrophobicContact CZ3-CB 3.7Å; A1646-R1650 WeakPolarHBondContact O-CB 3.47Å; A1646-R1650 WeakPolarHBondContact O-CG 3.38Å; A1646-R1650 PolarHBondContact O-N 2.97Å; I1647-R1650 PolarHBondContact O-N 2.85Å; R1650-R1653 PolarHBondContact O-N 2.9Å; R1650-A1654 WeakPolarHBondContact O-CB 3.47Å; R1650-A1654 PolarHBondContact O-N 2.8Å |
| 1651 | G | 89.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.6 | -39.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1647 V1648 R1653 A1654 I1655 | I1647-G1651 PolarHBondContact O-N 3.36Å; V1648-G1651 PolarHBondContact O-N 3.09Å; V1648-G1651 VanDerWaalsContact O-N 3.15Å; G1651-R1653 VanDerWaalsContact C-N 3.32Å; G1651-R1653 PolarHBondContact O-N 3.19Å; G1651-A1654 PolarHBondContact O-N 2.87Å; G1651-I1655 WeakPolarHBondContact O-CB 3.29Å; G1651-I1655 VanDerWaalsContact O-CG1 3.26Å; G1651-I1655 WeakPolarHBondContact O-CG1 3.22Å; G1651-I1655 PolarHBondContact O-N 2.71Å |
| 1652 | L | 89.4 | Confident | 83 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 174.7 | -72.8 | 170.4 | 0 | 0 | 0 | 111.8 | V1648 S1656 Q1666 L1669 L1670 Y1673 | V1648-L1652 HydrophobicContact CG1-CD1 4.22Å; V1648-L1652 WeakPolarHBondContact O-CG 3.49Å; V1648-L1652 PolarHBondContact O-N 3.42Å; L1652-S1656 VanDerWaalsContact O-CB 3.31Å; L1652-S1656 WeakPolarHBondContact O-CB 3.45Å; L1652-S1656 PolarHBondContact O-N 2.82Å; L1652-S1656 VanDerWaalsContact O-N 3.09Å; L1652-Q1666 HydrophobicContact CD2-CB 4.45Å; L1652-L1669 HydrophobicContact CD2-CB 4.12Å; L1652-L1669 HydrophobicContact CD2-CD2 3.95Å; L1652-L1669 HydrophobicContact CD2-CG 4.06Å; L1652-L1669 HydrophobicContact CG-CD2 3.87Å; L1652-L1669 HydrophobicContact CG-CG 4.18Å; L1652-L1670 HydrophobicContact CD1-CD1 4.23Å; L1652-L1670 HydrophobicContact CD2-CB 4.36Å; L1652-Y1673 HydrophobicContact CD1-CD1 3.89Å; L1652-Y1673 HydrophobicContact CD1-CE1 4.37Å |
| 1653 | R | 87.9 | Confident | 82.9 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 30% | 0.298 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.4 | -45.6 | 171.7 | -73.8 | -176.7 | -76.8 | 157.5 | -3.6 | 112 | D1165 E1649 R1650 G1651 S1656 | D1165-R1653 IonicContact OD1-CZ 3.49Å; D1165-R1653 VanDerWaalsContact OD1-CZ 3.32Å; D1165-R1653 IonicContact OD1-NH1 3.33Å; D1165-R1653 PolarHBondContact OD1-NH1 2.93Å; D1165-R1653 IonicContact OD1-NH2 2.77Å; D1165-R1653 PolarHBondContact OD1-NH2 3.09Å; E1649-R1653 WeakPolarHBondContact O-CG 3.21Å; E1649-R1653 PolarHBondContact O-N 2.86Å; E1649-R1653 PolarHBondContact O-NE 2.91Å; R1650-R1653 PolarHBondContact O-N 2.9Å; G1651-R1653 VanDerWaalsContact C-N 3.32Å; G1651-R1653 PolarHBondContact O-N 3.19Å; R1653-S1656 PolarHBondContact O-N 3.24Å; R1653-S1656 PolarHBondContact O-OG 3.3Å |
| 1654 | A | 86.6 | Confident | 82.9 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 22% | 0.223 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1610 W1616 R1650 G1651 S1656 N1657 | P1610-A1654 HydrophobicContact CB-CB 4.3Å; P1610-A1654 WeakPolarHBondContact O-CB 3.29Å; W1616-A1654 HydrophobicContact CH2-CB 4.49Å; W1616-A1654 HydrophobicContact CZ2-CB 3.57Å; R1650-A1654 WeakPolarHBondContact O-CB 3.47Å; R1650-A1654 PolarHBondContact O-N 2.8Å; G1651-A1654 PolarHBondContact O-N 2.87Å; A1654-S1656 VanDerWaalsContact C-N 3.28Å; A1654-S1656 PolarHBondContact O-N 3.19Å; A1654-N1657 PolarHBondContact O-N 3.13Å |
| 1655 | I | 87 | Confident | 82.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.2 | -30.4 | 176.9 | -63.8 | 168.6 | 0 | 0 | 0 | 111.1 | E1613 G1651 N1657 S1658 K1665 Q1666 L1669 | E1613-I1655 HydrophobicContact CB-CD1 3.94Å; G1651-I1655 WeakPolarHBondContact O-CB 3.29Å; G1651-I1655 VanDerWaalsContact O-CG1 3.26Å; G1651-I1655 WeakPolarHBondContact O-CG1 3.22Å; G1651-I1655 PolarHBondContact O-N 2.71Å; I1655-N1657 PolarHBondContact O-N 2.57Å; I1655-N1657 VanDerWaalsContact O-N 3.1Å; I1655-S1658 PolarHBondContact O-N 2.85Å; I1655-S1658 PolarHBondContact O-OG 3.31Å; I1655-K1665 HydrophobicContact CG2-CB 3.56Å; I1655-K1665 HydrophobicContact CG2-CD 4.28Å; I1655-Q1666 HydrophobicContact CB-CG 4.41Å; I1655-Q1666 HydrophobicContact CG2-CG 3.76Å; I1655-L1669 HydrophobicContact CD1-CB 4.45Å; I1655-L1669 HydrophobicContact CD1-CD2 3.77Å |
| 1656 | S | 80.4 | Confident | 82.7 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -14.6 | 179.2 | 72.6 | 0 | 0 | 0 | 0 | 115 | L1652 R1653 A1654 Q1662 Q1666 | L1652-S1656 VanDerWaalsContact O-CB 3.31Å; L1652-S1656 WeakPolarHBondContact O-CB 3.45Å; L1652-S1656 PolarHBondContact O-N 2.82Å; L1652-S1656 VanDerWaalsContact O-N 3.09Å; R1653-S1656 PolarHBondContact O-N 3.24Å; R1653-S1656 PolarHBondContact O-OG 3.3Å; A1654-S1656 VanDerWaalsContact C-N 3.28Å; A1654-S1656 PolarHBondContact O-N 3.19Å; S1656-Q1662 PolarHBondContact O-NE2 3.37Å; S1656-Q1666 VanDerWaalsContact CB-NE2 3.32Å |
| 1657 | N | 73.8 | Confident | 82.5 | Confident | 141 Ų | 141 | 51.4 Ų | 51.4 | 75% | 0.754 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 4.3 | 176.8 | -62.4 | -7.8 | 0 | 0 | 0 | 113 | A1654 I1655 | A1654-N1657 PolarHBondContact O-N 3.13Å; I1655-N1657 PolarHBondContact O-N 2.57Å; I1655-N1657 VanDerWaalsContact O-N 3.1Å |
| 1658 | S | 68.8 | Low | 82.3 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 12% | 0.119 | 29% | 0.294 | C | S | . | . | trans | -99.7 | 134.3 | -179.2 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | I1655 Q1662 | I1655-S1658 PolarHBondContact O-N 2.85Å; I1655-S1658 PolarHBondContact O-OG 3.31Å; S1658-Q1662 WeakPolarHBondContact O-CB 3.34Å; S1658-Q1662 PolarHBondContact O-OE1 2.98Å | ||
| 1659 | T | 62.5 | Low | 82.3 | Confident | 146 Ų | 146 | 55.9 Ų | 55.9 | 90% | 0.896 | 29% | 0.294 | S | S | * | . | trans | -82.2 | -22 | -168 | 48.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1660 | S | 61.4 | Low | 82.2 | Confident | 72 Ų | 72 | 52.2 Ų | 52.2 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -109.9 | 129.3 | -174.2 | 65 | 0 | 0 | 0 | 0 | 112.8 | Q1662 | S1660-Q1662 PolarHBondContact O-N 2.99Š|
| 1661 | N | 73.8 | Confident | 81.9 | Confident | 122 Ų | 122 | 49.3 Ų | 49.3 | 65% | 0.652 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 56.6 | 17.8 | 176.8 | -73.4 | -20.6 | 0 | 0 | 0 | 115.7 | L1663 T1664 K1665 | N1661-L1663 VanDerWaalsContact C-N 3.34Å; N1661-L1663 PolarHBondContact O-N 2.94Å; N1661-T1664 PolarHBondContact O-N 2.76Å; N1661-T1664 PolarHBondContact O-OG1 3.41Å; N1661-K1665 PolarHBondContact O-N 3Å; N1661-K1665 VanDerWaalsContact O-N 3.1Å |
| 1662 | Q | 79 | Confident | 81.8 | Confident | 66 Ų | 66 | 49.9 Ų | 49.9 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -41.8 | -53.8 | -177.9 | -175.6 | -177.8 | -6.2 | 0 | 0 | 113.4 | S1656 S1658 S1660 T1664 K1665 Q1666 | S1656-Q1662 PolarHBondContact O-NE2 3.37Å; S1658-Q1662 WeakPolarHBondContact O-CB 3.34Å; S1658-Q1662 PolarHBondContact O-OE1 2.98Å; S1660-Q1662 PolarHBondContact O-N 2.99Å; Q1662-T1664 VanDerWaalsContact C-N 3.29Å; Q1662-T1664 PolarHBondContact O-N 3.43Å; Q1662-K1665 PolarHBondContact O-N 3.01Å; Q1662-Q1666 HydrophobicContact CG-CG 4.33Å; Q1662-Q1666 WeakPolarHBondContact O-CB 3.47Å; Q1662-Q1666 WeakPolarHBondContact O-CG 3.4Å; Q1662-Q1666 PolarHBondContact O-N 3.11Å |
| 1663 | L | 82.5 | Confident | 81.9 | Confident | 85 Ų | 85 | 49 Ų | 49 | 45% | 0.445 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.9 | -36.9 | -178.1 | -65 | 173.4 | 0 | 0 | 0 | 112.8 | N1661 S1667 L1725 Q1727 | N1661-L1663 VanDerWaalsContact C-N 3.34Å; N1661-L1663 PolarHBondContact O-N 2.94Å; L1663-S1667 WeakPolarHBondContact O-CB 3.21Å; L1663-S1667 PolarHBondContact O-N 2.76Å; L1663-S1667 PolarHBondContact O-OG 3.34Å; L1663-L1725 HydrophobicContact CD2-CD2 3.6Å; L1663-Q1727 HydrophobicContact CB-CG 4.47Å |
| 1664 | T | 85 | Confident | 82 | Confident | 35 Ų | 35 | 45.2 Ų | 45.2 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -77 | -39.1 | 179.4 | 69.1 | 0 | 0 | 0 | 0 | 111.9 | N1661 Q1662 S1667 R1668 F1730 | N1661-T1664 PolarHBondContact O-N 2.76Å; N1661-T1664 PolarHBondContact O-OG1 3.41Å; Q1662-T1664 VanDerWaalsContact C-N 3.29Å; Q1662-T1664 PolarHBondContact O-N 3.43Å; T1664-S1667 PolarHBondContact O-N 3.31Å; T1664-R1668 WeakPolarHBondContact O-CG 3.13Å; T1664-R1668 PolarHBondContact O-N 3.48Å; T1664-F1730 HydrophobicContact CG2-CE2 4.37Å |
| 1665 | K | 86 | Confident | 82 | Confident | 34 Ų | 34 | 44.4 Ų | 44.4 | 15% | 0.148 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -48.6 | 175 | -63.7 | -173.2 | 160.8 | -171.4 | 0 | 111.2 | S1611 E1613 I1655 N1661 Q1662 S1667 R1668 L1669 | S1611-K1665 WeakPolarHBondContact O-CD 3.47Å; S1611-K1665 WeakPolarHBondContact O-CE 3.36Å; S1611-K1665 PolarHBondContact O-NZ 2.64Å; E1613-K1665 HydrophobicContact CB-CB 4.48Å; E1613-K1665 WeakPolarHBondContact OE2-CG 3.2Å; I1655-K1665 HydrophobicContact CG2-CB 3.56Å; I1655-K1665 HydrophobicContact CG2-CD 4.28Å; N1661-K1665 PolarHBondContact O-N 3Å; N1661-K1665 VanDerWaalsContact O-N 3.1Å; Q1662-K1665 PolarHBondContact O-N 3.01Å; K1665-S1667 PolarHBondContact O-N 3.3Å; K1665-R1668 PolarHBondContact O-N 3.12Å; K1665-L1669 PolarHBondContact O-N 2.99Å; K1665-L1669 VanDerWaalsContact O-N 3.12Å |
| 1666 | Q | 86.6 | Confident | 82 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 13% | 0.131 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 172.9 | -73.1 | -178.9 | -36.1 | 0 | 0 | 111.2 | L1652 I1655 S1656 Q1662 R1668 L1669 L1670 L1725 | L1652-Q1666 HydrophobicContact CD2-CB 4.45Å; I1655-Q1666 HydrophobicContact CB-CG 4.41Å; I1655-Q1666 HydrophobicContact CG2-CG 3.76Å; S1656-Q1666 VanDerWaalsContact CB-NE2 3.32Å; Q1662-Q1666 HydrophobicContact CG-CG 4.33Å; Q1662-Q1666 WeakPolarHBondContact O-CB 3.47Å; Q1662-Q1666 WeakPolarHBondContact O-CG 3.4Å; Q1662-Q1666 PolarHBondContact O-N 3.11Å; Q1666-R1668 PolarHBondContact O-N 2.75Å; Q1666-L1669 PolarHBondContact O-N 3.2Å; Q1666-L1670 WeakPolarHBondContact O-CB 3.34Å; Q1666-L1670 PolarHBondContact O-N 3Å; Q1666-L1725 HydrophobicContact CB-CD1 4.3Å |
| 1667 | S | 86.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -35.3 | 179.4 | -63.3 | 0 | 0 | 0 | 0 | 113.4 | L1663 T1664 K1665 T1671 L1725 Q1727 | L1663-S1667 WeakPolarHBondContact O-CB 3.21Å; L1663-S1667 PolarHBondContact O-N 2.76Å; L1663-S1667 PolarHBondContact O-OG 3.34Å; T1664-S1667 PolarHBondContact O-N 3.31Å; K1665-S1667 PolarHBondContact O-N 3.3Å; S1667-T1671 VanDerWaalsContact O-CB 3.25Å; S1667-T1671 WeakPolarHBondContact O-CB 3.44Å; S1667-T1671 PolarHBondContact O-N 3.14Å; S1667-T1671 PolarHBondContact O-OG1 2.69Å; S1667-L1725 WeakPolarHBondContact OG-CD1 3.14Å; S1667-Q1727 VanDerWaalsContact OG-CG 3.3Å; S1667-Q1727 WeakPolarHBondContact OG-CG 3.45Å |
| 1668 | R | 87.4 | Confident | 83 | Confident | 99 Ų | 99 | 35.8 Ų | 35.8 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63 | -51.3 | 172.7 | -77.4 | 170 | 177.6 | 151.6 | 3 | 111.9 | E1613 T1664 K1665 Q1666 T1671 S1672 F1730 | E1613-R1668 HydrophobicContact CG-CB 4.01Å; E1613-R1668 WeakPolarHBondContact OE1-CD 3.47Å; E1613-R1668 IonicContact OE1-CZ 2.65Å; E1613-R1668 IonicContact OE1-NE 3.36Å; E1613-R1668 IonicContact OE1-NH1 2.69Å; E1613-R1668 PolarHBondContact OE1-NH1 2.82Å; T1664-R1668 WeakPolarHBondContact O-CG 3.13Å; T1664-R1668 PolarHBondContact O-N 3.48Å; K1665-R1668 PolarHBondContact O-N 3.12Å; Q1666-R1668 PolarHBondContact O-N 2.75Å; R1668-T1671 PolarHBondContact O-N 2.93Å; R1668-S1672 PolarHBondContact O-N 3.39Å; R1668-S1672 VanDerWaalsContact O-N 3.09Å; R1668-S1672 PolarHBondContact O-OG 2.84Å; R1668-F1730 HydrophobicContact CB-CE1 4.46Å; R1668-F1730 HydrophobicContact CG-CD1 4.24Å; R1668-F1730 HydrophobicContact CG-CE1 3.38Å; R1668-F1730 HydrophobicContact CG-CZ 3.67Å |
| 1669 | L | 89.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.7 | -39.6 | 178.6 | -176.2 | 59 | 0 | 0 | 0 | 111.5 | W1616 I1617 V1648 L1652 I1655 K1665 Q1666 S1672 Y1673 | W1616-L1669 HydrophobicContact CB-CD1 4.01Å; W1616-L1669 HydrophobicContact CB-CD2 4.18Å; W1616-L1669 HydrophobicContact CG-CD2 4.49Å; I1617-L1669 HydrophobicContact CG1-CD1 4Å; V1648-L1669 HydrophobicContact CG1-CD1 4.09Å; V1648-L1669 HydrophobicContact CG1-CG 4.1Å; V1648-L1669 HydrophobicContact CG2-CD1 4.34Å; L1652-L1669 HydrophobicContact CD2-CB 4.12Å; L1652-L1669 HydrophobicContact CD2-CD2 3.95Å; L1652-L1669 HydrophobicContact CD2-CG 4.06Å; L1652-L1669 HydrophobicContact CG-CD2 3.87Å; L1652-L1669 HydrophobicContact CG-CG 4.18Å; I1655-L1669 HydrophobicContact CD1-CB 4.45Å; I1655-L1669 HydrophobicContact CD1-CD2 3.77Å; K1665-L1669 PolarHBondContact O-N 2.99Å; K1665-L1669 VanDerWaalsContact O-N 3.12Å; Q1666-L1669 PolarHBondContact O-N 3.2Å; L1669-S1672 WeakPolarHBondContact O-CB 3.34Å; L1669-S1672 PolarHBondContact O-N 2.88Å; L1669-Y1673 WeakPolarHBondContact O-CB 3.33Å; L1669-Y1673 PolarHBondContact O-N 2.74Å |
| 1670 | L | 90.2 | Very high | 84.7 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.1 | -35.4 | 178 | -174.1 | 65 | 0 | 0 | 0 | 112.9 | L1652 Q1666 S1672 Y1673 L1674 L1718 Q1721 L1722 L1725 | L1652-L1670 HydrophobicContact CD1-CD1 4.23Å; L1652-L1670 HydrophobicContact CD2-CB 4.36Å; Q1666-L1670 WeakPolarHBondContact O-CB 3.34Å; Q1666-L1670 PolarHBondContact O-N 3Å; L1670-S1672 VanDerWaalsContact C-N 3.28Å; L1670-S1672 PolarHBondContact O-N 3.26Å; L1670-Y1673 HydrophobicContact CD1-CD1 4.19Å; L1670-Y1673 WeakPolarHBondContact O-CB 3.37Å; L1670-Y1673 PolarHBondContact O-N 3.48Å; L1670-L1674 VanDerWaalsContact O-CB 3.31Å; L1670-L1674 WeakPolarHBondContact O-CB 3.41Å; L1670-L1674 PolarHBondContact O-N 2.83Å; L1670-L1718 HydrophobicContact CD1-CB 4.35Å; L1670-L1718 HydrophobicContact CD1-CD2 3.76Å; L1670-Q1721 HydrophobicContact CD1-CB 4.45Å; L1670-Q1721 HydrophobicContact CD2-CB 3.71Å; L1670-L1722 HydrophobicContact CB-CD1 4.42Å; L1670-L1722 HydrophobicContact CD2-CB 3.88Å; L1670-L1722 HydrophobicContact CD2-CD1 3.98Å; L1670-L1722 HydrophobicContact CG-CB 4.46Å; L1670-L1722 HydrophobicContact CG-CD1 4.29Å; L1670-L1725 HydrophobicContact CD2-CD1 3.72Å |
| 1671 | T | 86.6 | Confident | 85.9 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 171 | -62.2 | 0 | 0 | 0 | 0 | 110.5 | S1667 R1668 L1674 I1675 K1733 | S1667-T1671 VanDerWaalsContact O-CB 3.25Å; S1667-T1671 WeakPolarHBondContact O-CB 3.44Å; S1667-T1671 PolarHBondContact O-N 3.14Å; S1667-T1671 PolarHBondContact O-OG1 2.69Å; R1668-T1671 PolarHBondContact O-N 2.93Å; T1671-L1674 PolarHBondContact O-N 3.11Å; T1671-I1675 HydrophobicContact CG2-CD1 3.94Å; T1671-I1675 WeakPolarHBondContact O-CB 3.44Å; T1671-I1675 VanDerWaalsContact O-CD1 3.32Å; T1671-I1675 WeakPolarHBondContact O-CD1 3.31Å; T1671-I1675 WeakPolarHBondContact O-CG1 3.44Å; T1671-I1675 PolarHBondContact O-N 3.34Å; T1671-K1733 HydrophobicContact CG2-CG 4.39Å |
| 1672 | S | 86.6 | Confident | 86.3 | Confident | 11 Ų | 11 | 23.4 Ų | 23.4 | 8% | 0.077 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.7 | -40.5 | 175.3 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | M1522 I1617 R1668 L1669 L1670 I1675 M1676 | M1522-S1672 VanDerWaalsContact CE-CB 3.42Å; M1522-S1672 VanDerWaalsContact CE-OG 3.25Å; M1522-S1672 WeakPolarHBondContact CE-OG 3.39Å; I1617-S1672 WeakPolarHBondContact CD1-OG 3.34Å; R1668-S1672 PolarHBondContact O-N 3.39Å; R1668-S1672 VanDerWaalsContact O-N 3.09Å; R1668-S1672 PolarHBondContact O-OG 2.84Å; L1669-S1672 WeakPolarHBondContact O-CB 3.34Å; L1669-S1672 PolarHBondContact O-N 2.88Å; L1670-S1672 VanDerWaalsContact C-N 3.28Å; L1670-S1672 PolarHBondContact O-N 3.26Å; S1672-I1675 PolarHBondContact O-N 2.84Å; S1672-M1676 PolarHBondContact O-N 3.47Å; S1672-M1676 VanDerWaalsContact O-N 3.08Å |
| 1673 | Y | 91.8 | Very high | 86.4 | Confident | 11 Ų | 11 | 21.4 Ų | 21.4 | 4% | 0.043 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.8 | -49.6 | 173.8 | -165.9 | -174.8 | 0 | 0 | 0 | 111.9 | R1645 V1648 E1649 L1652 L1669 L1670 I1675 M1676 E1677 L1718 | R1645-Y1673 HydrophobicContact CG-CE2 4.02Å; R1645-Y1673 WeakPolarHBondContact CG-OH 3.31Å; V1648-Y1673 HydrophobicContact CB-CG 4.46Å; V1648-Y1673 HydrophobicContact CG1-CD1 3.58Å; V1648-Y1673 HydrophobicContact CG1-CD2 4.09Å; V1648-Y1673 HydrophobicContact CG1-CE1 4.3Å; V1648-Y1673 HydrophobicContact CG1-CG 3.5Å; V1648-Y1673 VanDerWaalsContact CG1-CG 3.5Å; E1649-Y1673 HydrophobicContact CG-CE1 4.14Å; E1649-Y1673 PolarHBondContact OE1-OH 3.33Å; L1652-Y1673 HydrophobicContact CD1-CD1 3.89Å; L1652-Y1673 HydrophobicContact CD1-CE1 4.37Å; L1669-Y1673 WeakPolarHBondContact O-CB 3.33Å; L1669-Y1673 PolarHBondContact O-N 2.74Å; L1670-Y1673 HydrophobicContact CD1-CD1 4.19Å; L1670-Y1673 WeakPolarHBondContact O-CB 3.37Å; L1670-Y1673 PolarHBondContact O-N 3.48Å; Y1673-I1675 VanDerWaalsContact C-N 3.28Å; Y1673-I1675 PolarHBondContact O-N 3.01Å; Y1673-M1676 HydrophobicContact CD2-CE 3.95Å; Y1673-M1676 HydrophobicContact CE2-CE 3.97Å; Y1673-M1676 WeakPolarHBondContact O-CB 3.17Å; Y1673-M1676 PolarHBondContact O-N 3.37Å; Y1673-M1676 VanDerWaalsContact O-N 3.08Å; Y1673-E1677 HydrophobicContact CD2-CG 3.91Å; Y1673-E1677 HydrophobicContact CE2-CG 3.64Å; Y1673-E1677 WeakPolarHBondContact CE2-OE1 3.49Å; Y1673-E1677 PolarHBondContact O-N 2.97Å; Y1673-L1718 HydrophobicContact CD1-CD1 3.87Å; Y1673-L1718 HydrophobicContact CD1-CD2 3.49Å; Y1673-L1718 VanDerWaalsContact CD1-CD2 3.49Å; Y1673-L1718 HydrophobicContact CD1-CG 4.34Å; Y1673-L1718 HydrophobicContact CD2-CD1 3.76Å; Y1673-L1718 HydrophobicContact CE1-CD1 4.01Å; Y1673-L1718 HydrophobicContact CE1-CD2 3.33Å; Y1673-L1718 HydrophobicContact CE1-CG 4.3Å; Y1673-L1718 HydrophobicContact CE2-CD1 3.9Å; Y1673-L1718 HydrophobicContact CG-CD1 3.7Å; Y1673-L1718 HydrophobicContact CG-CD2 4.2Å |
| 1674 | L | 90.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.3 | -43.1 | 176.9 | 172.5 | 64.6 | 0 | 0 | 0 | 111.6 | L1670 T1671 E1677 A1678 V1715 L1718 L1719 L1722 A1734 | L1670-L1674 VanDerWaalsContact O-CB 3.31Å; L1670-L1674 WeakPolarHBondContact O-CB 3.41Å; L1670-L1674 PolarHBondContact O-N 2.83Å; T1671-L1674 PolarHBondContact O-N 3.11Å; L1674-E1677 PolarHBondContact O-N 3.37Å; L1674-A1678 WeakPolarHBondContact O-CB 3.2Å; L1674-A1678 PolarHBondContact O-N 3.17Å; L1674-V1715 HydrophobicContact CD1-CG1 3.95Å; L1674-L1718 HydrophobicContact CB-CB 4.45Å; L1674-L1718 HydrophobicContact CD1-CB 4.22Å; L1674-L1719 HydrophobicContact CD1-CD2 3.88Å; L1674-L1719 HydrophobicContact CD1-CG 3.79Å; L1674-L1719 HydrophobicContact CD2-CD2 3.68Å; L1674-L1719 HydrophobicContact CD2-CG 4.44Å; L1674-L1719 HydrophobicContact CG-CD2 4.43Å; L1674-L1722 HydrophobicContact CD2-CD2 4.09Å; L1674-A1734 HydrophobicContact CD2-CB 3.56Å |
| 1675 | I | 86 | Confident | 86.2 | Confident | 9 Ų | 9 | 17.5 Ų | 17.5 | 5% | 0.046 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | 176.9 | -72.5 | 164.2 | 0 | 0 | 0 | 111.1 | Y1518 F1521 T1671 S1672 Y1673 K1679 T1737 I1741 | Y1518-I1675 HydrophobicContact CD1-CG2 4.39Å; Y1518-I1675 HydrophobicContact CE1-CG2 3.45Å; Y1518-I1675 VanDerWaalsContact CE1-CG2 3.45Å; F1521-I1675 HydrophobicContact CE1-CD1 4.34Å; T1671-I1675 HydrophobicContact CG2-CD1 3.94Å; T1671-I1675 WeakPolarHBondContact O-CB 3.44Å; T1671-I1675 VanDerWaalsContact O-CD1 3.32Å; T1671-I1675 WeakPolarHBondContact O-CD1 3.31Å; T1671-I1675 WeakPolarHBondContact O-CG1 3.44Å; T1671-I1675 PolarHBondContact O-N 3.34Å; S1672-I1675 PolarHBondContact O-N 2.84Å; Y1673-I1675 VanDerWaalsContact C-N 3.28Å; Y1673-I1675 PolarHBondContact O-N 3.01Å; I1675-K1679 WeakPolarHBondContact O-CG 3.46Å; I1675-K1679 PolarHBondContact O-N 3.46Å; I1675-T1737 HydrophobicContact CD1-CG2 3.83Å; I1675-T1737 HydrophobicContact CG1-CG2 4.18Å; I1675-I1741 HydrophobicContact CG2-CD1 4.44Å |
| 1676 | M | 87.9 | Confident | 85.7 | Confident | 7 Ų | 7 | 17.2 Ų | 17.2 | 3% | 0.034 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.7 | -52.3 | 175.9 | -175.1 | -175.5 | 75.2 | 0 | 0 | 111.4 | M1620 L1624 V1641 A1644 R1645 S1672 Y1673 K1679 E1680 | M1620-M1676 HydrophobicContact CG-SD 4.31Å; M1620-M1676 HydrophobicContact SD-SD 4.12Å; L1624-M1676 HydrophobicContact CD1-CG 4.24Å; L1624-M1676 HydrophobicContact CD1-SD 4.05Å; L1624-M1676 HydrophobicContact CD2-SD 4.4Å; V1641-M1676 HydrophobicContact CG1-CE 4.01Å; V1641-M1676 HydrophobicContact CG1-SD 4.31Å; A1644-M1676 HydrophobicContact CB-SD 3.78Å; R1645-M1676 HydrophobicContact CB-CE 4.08Å; S1672-M1676 PolarHBondContact O-N 3.47Å; S1672-M1676 VanDerWaalsContact O-N 3.08Å; Y1673-M1676 HydrophobicContact CD2-CE 3.95Å; Y1673-M1676 HydrophobicContact CE2-CE 3.97Å; Y1673-M1676 WeakPolarHBondContact O-CB 3.17Å; Y1673-M1676 PolarHBondContact O-N 3.37Å; Y1673-M1676 VanDerWaalsContact O-N 3.08Å; M1676-K1679 PolarHBondContact O-N 3.44Å; M1676-E1680 PolarHBondContact O-N 3.42Å; M1676-E1680 VanDerWaalsContact O-N 3.1Å |
| 1677 | E | 88.8 | Confident | 85 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -71.6 | -31.4 | -176.7 | -60.7 | -64.7 | -175.2 | 0 | 0 | 112.9 | R1645 Y1673 L1674 E1680 L1681 Q1711 V1715 L1718 | R1645-E1677 IonicContact CZ-OE1 3.86Å; R1645-E1677 IonicContact NE-OE1 2.98Å; R1645-E1677 PolarHBondContact NE-OE1 3.27Å; R1645-E1677 VanDerWaalsContact NH2-CD 3.28Å; R1645-E1677 IonicContact NH2-OE1 3.31Å; R1645-E1677 PolarHBondContact NH2-OE1 3.38Å; R1645-E1677 IonicContact NH2-OE2 3.74Å; R1645-E1677 PolarHBondContact NH2-OE2 2.74Å; Y1673-E1677 HydrophobicContact CD2-CG 3.91Å; Y1673-E1677 HydrophobicContact CE2-CG 3.64Å; Y1673-E1677 WeakPolarHBondContact CE2-OE1 3.49Å; Y1673-E1677 PolarHBondContact O-N 2.97Å; L1674-E1677 PolarHBondContact O-N 3.37Å; E1677-E1680 PolarHBondContact O-N 2.83Å; E1677-L1681 WeakPolarHBondContact O-CB 3.11Å; E1677-L1681 PolarHBondContact O-N 2.94Å; E1677-Q1711 PolarHBondContact OE2-NE2 3.03Å; E1677-Q1711 PolarHBondContact OE2-OE1 2.9Å; E1677-V1715 HydrophobicContact CB-CG2 3.61Å; E1677-L1718 HydrophobicContact CB-CD1 4.27Å; E1677-L1718 HydrophobicContact CG-CD1 3.89Å |
| 1678 | A | 86.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L1674 L1681 E1682 L1738 I1741 H1743 | L1674-A1678 WeakPolarHBondContact O-CB 3.2Å; L1674-A1678 PolarHBondContact O-N 3.17Å; A1678-L1681 PolarHBondContact O-N 3.3Å; A1678-E1682 PolarHBondContact O-N 3.05Å; A1678-L1738 HydrophobicContact CB-CD2 3.6Å; A1678-I1741 HydrophobicContact CB-CD1 4Å; A1678-H1743 PolarHBondContact O-NE2 3.45Å |
| 1679 | K | 84.1 | Confident | 83.8 | Confident | 10 Ų | 10 | 20.5 Ų | 20.5 | 4% | 0.043 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.7 | -36.5 | 173.6 | -69.1 | 177.4 | 98.9 | -177.9 | 0 | 112.6 | Y1518 I1675 M1676 E1682 R1683 I1741 | Y1518-K1679 HydrophobicContact CE1-CD 3.52Å; Y1518-K1679 VanDerWaalsContact CE1-NZ 3.31Å; Y1518-K1679 VanDerWaalsContact CZ-CE 3.48Å; Y1518-K1679 VanDerWaalsContact CZ-NZ 3.32Å; Y1518-K1679 VanDerWaalsContact OH-CD 3.28Å; Y1518-K1679 WeakPolarHBondContact OH-CD 3.2Å; Y1518-K1679 WeakPolarHBondContact OH-CE 3.45Å; I1675-K1679 WeakPolarHBondContact O-CG 3.46Å; I1675-K1679 PolarHBondContact O-N 3.46Å; M1676-K1679 PolarHBondContact O-N 3.44Å; K1679-E1682 WeakPolarHBondContact O-CB 3.26Å; K1679-E1682 PolarHBondContact O-N 2.76Å; K1679-R1683 WeakPolarHBondContact O-CB 3.41Å; K1679-R1683 PolarHBondContact O-N 3.49Å; K1679-I1741 HydrophobicContact CG-CD1 4.09Å; K1679-I1741 HydrophobicContact CG-CG1 4.31Å; K1679-I1741 HydrophobicContact CG-CG2 4.38Å |
| 1680 | E | 83.1 | Confident | 82.6 | Confident | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.028 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.5 | -39.2 | 177.2 | -178.3 | 51.5 | -152.3 | 0 | 0 | 111.3 | V1641 M1676 E1677 E1682 R1683 L1684 | V1641-E1680 HydrophobicContact CG1-CG 4.36Å; M1676-E1680 PolarHBondContact O-N 3.42Å; M1676-E1680 VanDerWaalsContact O-N 3.1Å; E1677-E1680 PolarHBondContact O-N 2.83Å; E1680-E1682 VanDerWaalsContact C-N 3.32Å; E1680-E1682 PolarHBondContact O-N 2.84Å; E1680-R1683 WeakPolarHBondContact O-CB 3.34Å; E1680-R1683 PolarHBondContact O-N 2.91Å; E1680-R1683 IonicContact OE1-CZ 2.93Å; E1680-R1683 IonicContact OE1-NE 2.63Å; E1680-R1683 PolarHBondContact OE1-NE 2.69Å; E1680-R1683 IonicContact OE1-NH2 2.64Å; E1680-R1683 PolarHBondContact OE1-NH2 2.78Å; E1680-R1683 WeakPolarHBondContact OE2-CD 3.5Å; E1680-R1683 IonicContact OE2-CZ 2.75Å; E1680-R1683 IonicContact OE2-NE 3.22Å; E1680-R1683 PolarHBondContact OE2-NE 3.03Å; E1680-R1683 IonicContact OE2-NH2 3.21Å; E1680-L1684 HydrophobicContact CG-CD1 4.21Å; E1680-L1684 WeakPolarHBondContact O-CB 3.42Å; E1680-L1684 VanDerWaalsContact O-CG 3.29Å; E1680-L1684 WeakPolarHBondContact O-CG 3.47Å; E1680-L1684 PolarHBondContact O-N 3.28Å; E1680-L1684 WeakPolarHBondContact OE1-CG 3.38Å |
| 1681 | L | 86.3 | Confident | 81.3 | Confident | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | 169.7 | -176.5 | 61.6 | 0 | 0 | 0 | 112.1 | E1677 A1678 T1685 I1708 Q1711 V1715 | E1677-L1681 WeakPolarHBondContact O-CB 3.11Å; E1677-L1681 PolarHBondContact O-N 2.94Å; A1678-L1681 PolarHBondContact O-N 3.3Å; L1681-T1685 VanDerWaalsContact O-CB 3.27Å; L1681-T1685 WeakPolarHBondContact O-CB 3.35Å; L1681-T1685 PolarHBondContact O-N 3.42Å; L1681-T1685 PolarHBondContact O-OG1 3.48Å; L1681-I1708 HydrophobicContact CD1-CG2 4.21Å; L1681-Q1711 HydrophobicContact CB-CB 4.42Å; L1681-Q1711 HydrophobicContact CD1-CB 4.07Å; L1681-V1715 HydrophobicContact CD2-CB 4.49Å; L1681-V1715 HydrophobicContact CD2-CG2 4.27Å |
| 1682 | E | 82.6 | Confident | 79.8 | Confident | 75 Ų | 75 | 29.8 Ų | 29.8 | 35% | 0.35 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 172.3 | -161.6 | -148.6 | 156.9 | 0 | 0 | 111.1 | A1678 K1679 E1680 L1684 T1685 C1686 I1741 | A1678-E1682 PolarHBondContact O-N 3.05Å; K1679-E1682 WeakPolarHBondContact O-CB 3.26Å; K1679-E1682 PolarHBondContact O-N 2.76Å; E1680-E1682 VanDerWaalsContact C-N 3.32Å; E1680-E1682 PolarHBondContact O-N 2.84Å; E1682-L1684 PolarHBondContact O-N 2.72Å; E1682-T1685 PolarHBondContact O-N 2.82Å; E1682-C1686 VanDerWaalsContact O-CB 3.3Å; E1682-C1686 WeakPolarHBondContact O-CB 3.42Å; E1682-C1686 PolarHBondContact O-N 3.44Å; E1682-I1741 HydrophobicContact CB-CG2 4.15Å; E1682-I1741 HydrophobicContact CG-CG2 4.39Å |
| 1683 | R | 79.8 | Confident | 78.1 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.6 | -49.5 | 175.8 | -175.5 | -170.6 | 80.2 | 116.8 | -0.2 | 111.2 | I1509 N1638 K1679 E1680 C1686 L1687 | I1509-R1683 HydrophobicContact CD1-CB 3.99Å; I1509-R1683 HydrophobicContact CD1-CG 3.88Å; N1638-R1683 PolarHBondContact OD1-NH2 3.5Å; K1679-R1683 WeakPolarHBondContact O-CB 3.41Å; K1679-R1683 PolarHBondContact O-N 3.49Å; E1680-R1683 WeakPolarHBondContact O-CB 3.34Å; E1680-R1683 PolarHBondContact O-N 2.91Å; E1680-R1683 IonicContact OE1-CZ 2.93Å; E1680-R1683 IonicContact OE1-NE 2.63Å; E1680-R1683 PolarHBondContact OE1-NE 2.69Å; E1680-R1683 IonicContact OE1-NH2 2.64Å; E1680-R1683 PolarHBondContact OE1-NH2 2.78Å; E1680-R1683 WeakPolarHBondContact OE2-CD 3.5Å; E1680-R1683 IonicContact OE2-CZ 2.75Å; E1680-R1683 IonicContact OE2-NE 3.22Å; E1680-R1683 PolarHBondContact OE2-NE 3.03Å; E1680-R1683 IonicContact OE2-NH2 3.21Å; R1683-C1686 CarbonylContact O-C 3.51Å; R1683-C1686 PolarHBondContact O-N 3.44Å; R1683-L1687 HydrophobicContact CG-CD1 4.25Å; R1683-L1687 WeakPolarHBondContact O-CG 3.47Å; R1683-L1687 PolarHBondContact O-N 2.93Å |
| 1684 | L | 82 | Confident | 75.8 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.8 | -42.6 | -179.2 | -68.2 | 165.9 | 0 | 0 | 0 | 111.6 | E1680 E1682 C1686 L1687 Q1688 L1704 E1707 I1708 Q1711 | E1680-L1684 HydrophobicContact CG-CD1 4.21Å; E1680-L1684 WeakPolarHBondContact O-CB 3.42Å; E1680-L1684 VanDerWaalsContact O-CG 3.29Å; E1680-L1684 WeakPolarHBondContact O-CG 3.47Å; E1680-L1684 PolarHBondContact O-N 3.28Å; E1680-L1684 WeakPolarHBondContact OE1-CG 3.38Å; E1682-L1684 PolarHBondContact O-N 2.72Å; L1684-C1686 VanDerWaalsContact C-N 3.28Å; L1684-C1686 PolarHBondContact O-N 3.41Å; L1684-L1687 HydrophobicContact CD2-CD1 4.46Å; L1684-L1687 WeakPolarHBondContact O-CB 3.28Å; L1684-L1687 PolarHBondContact O-N 3.04Å; L1684-L1687 VanDerWaalsContact O-N 3.1Å; L1684-Q1688 PolarHBondContact O-N 3.49Å; L1684-L1704 HydrophobicContact CD2-CD2 3.85Å; L1684-E1707 HydrophobicContact CD1-CG 3.84Å; L1684-I1708 HydrophobicContact CB-CD1 4.31Å; L1684-I1708 HydrophobicContact CB-CG1 3.64Å; L1684-Q1711 HydrophobicContact CD1-CB 4.22Å; L1684-Q1711 HydrophobicContact CD1-CG 3.69Å |
| 1685 | T | 81.1 | Confident | 73 | Confident | 33 Ų | 33 | 48 Ų | 48 | 20% | 0.202 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -37.5 | 173.1 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | L1681 E1682 K1689 | L1681-T1685 VanDerWaalsContact O-CB 3.27Å; L1681-T1685 WeakPolarHBondContact O-CB 3.35Å; L1681-T1685 PolarHBondContact O-N 3.42Å; L1681-T1685 PolarHBondContact O-OG1 3.48Å; E1682-T1685 PolarHBondContact O-N 2.82Å; T1685-K1689 HydrophobicContact CG2-CD 4.4Å; T1685-K1689 WeakPolarHBondContact O-CG 3.14Å; T1685-K1689 PolarHBondContact O-N 2.72Å |
| 1686 | C | 76 | Confident | 70.6 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.5 | -34.6 | 173.9 | -173 | 0 | 0 | 0 | 0 | 112.2 | E1682 R1683 L1684 Q1690 | E1682-C1686 VanDerWaalsContact O-CB 3.3Å; E1682-C1686 WeakPolarHBondContact O-CB 3.42Å; E1682-C1686 PolarHBondContact O-N 3.44Å; R1683-C1686 CarbonylContact O-C 3.51Å; R1683-C1686 PolarHBondContact O-N 3.44Å; L1684-C1686 VanDerWaalsContact C-N 3.28Å; L1684-C1686 PolarHBondContact O-N 3.41Å; C1686-Q1690 WeakPolarHBondContact O-CB 3.44Å; C1686-Q1690 VanDerWaalsContact O-CG 3.29Å; C1686-Q1690 WeakPolarHBondContact O-CG 3.46Å; C1686-Q1690 PolarHBondContact O-N 3.31Å; C1686-Q1690 PolarHBondContact SG-NE2 3.1Å; C1686-Q1690 VanDerWaalsContact SG-NE2 3.4Å |
| 1687 | L | 72.9 | Confident | 68.3 | Low | 32 Ų | 32 | 51.9 Ų | 51.9 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.6 | -42.6 | 173.5 | -75.8 | 169.2 | 0 | 0 | 0 | 111.5 | R1683 L1684 Q1690 Q1691 | R1683-L1687 HydrophobicContact CG-CD1 4.25Å; R1683-L1687 WeakPolarHBondContact O-CG 3.47Å; R1683-L1687 PolarHBondContact O-N 2.93Å; L1684-L1687 HydrophobicContact CD2-CD1 4.46Å; L1684-L1687 WeakPolarHBondContact O-CB 3.28Å; L1684-L1687 PolarHBondContact O-N 3.04Å; L1684-L1687 VanDerWaalsContact O-N 3.1Å; L1687-Q1690 CarbonylContact O-C 3.53Å; L1687-Q1690 PolarHBondContact O-N 2.67Å; L1687-Q1690 VanDerWaalsContact O-N 3.15Å; L1687-Q1691 PolarHBondContact O-N 3.44Å |
| 1688 | Q | 74.2 | Confident | 66.2 | Low | 47 Ų | 47 | 57.7 Ų | 57.7 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 173.5 | -171.2 | -170.5 | 37.8 | 0 | 0 | 111.1 | L1684 Q1690 Q1691 Q1692 I1708 | L1684-Q1688 PolarHBondContact O-N 3.49Å; Q1688-Q1690 VanDerWaalsContact C-N 3.3Å; Q1688-Q1690 PolarHBondContact O-N 3.18Å; Q1688-Q1691 PolarHBondContact O-N 3.13Å; Q1688-Q1692 WeakPolarHBondContact O-CG 3.24Å; Q1688-Q1692 PolarHBondContact O-N 3.07Å; Q1688-I1708 HydrophobicContact CB-CD1 3.71Å; Q1688-I1708 HydrophobicContact CG-CD1 4.13Å |
| 1689 | K | 73.6 | Confident | 64.5 | Low | 116 Ų | 116 | 60 Ų | 60 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59 | -38.9 | 173 | -72.1 | 169.7 | -178.5 | 172.7 | 0 | 112 | T1685 Y1693 | T1685-K1689 HydrophobicContact CG2-CD 4.4Å; T1685-K1689 WeakPolarHBondContact O-CG 3.14Å; T1685-K1689 PolarHBondContact O-N 2.72Å; K1689-Y1693 WeakPolarHBondContact O-CD2 3.22Å; K1689-Y1693 PolarHBondContact O-N 3.16Å |
| 1690 | Q | 65.2 | Low | 63.1 | Low | 64 Ų | 64 | 61.6 Ų | 61.6 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.1 | -35.5 | 175.9 | -78.4 | -176.5 | 66.4 | 0 | 0 | 113.2 | C1686 L1687 Q1688 Y1693 H1694 | C1686-Q1690 WeakPolarHBondContact O-CB 3.44Å; C1686-Q1690 VanDerWaalsContact O-CG 3.29Å; C1686-Q1690 WeakPolarHBondContact O-CG 3.46Å; C1686-Q1690 PolarHBondContact O-N 3.31Å; C1686-Q1690 PolarHBondContact SG-NE2 3.1Å; C1686-Q1690 VanDerWaalsContact SG-NE2 3.4Å; L1687-Q1690 CarbonylContact O-C 3.53Å; L1687-Q1690 PolarHBondContact O-N 2.67Å; L1687-Q1690 VanDerWaalsContact O-N 3.15Å; Q1688-Q1690 VanDerWaalsContact C-N 3.3Å; Q1688-Q1690 PolarHBondContact O-N 3.18Å; Q1690-Y1693 PolarHBondContact O-N 2.72Å; Q1690-H1694 WeakPolarHBondContact O-CB 3.44Å; Q1690-H1694 PolarHBondContact O-N 2.85Å |
| 1691 | Q | 62 | Low | 62.3 | Low | 25 Ų | 25 | 66.4 Ų | 66.4 | 12% | 0.117 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68 | -43 | 173.4 | -77.5 | -168.5 | -22.6 | 0 | 0 | 111.9 | L1687 Q1688 Y1693 H1694 S1697 T1699 L1704 | L1687-Q1691 PolarHBondContact O-N 3.44Å; Q1688-Q1691 PolarHBondContact O-N 3.13Å; Q1691-Y1693 PolarHBondContact O-N 3.25Å; Q1691-Y1693 VanDerWaalsContact O-N 3.11Å; Q1691-H1694 CarbonylContact O-C 3.39Å; Q1691-H1694 VanDerWaalsContact O-C 3.26Å; Q1691-H1694 PolarHBondContact O-N 3.22Å; Q1691-S1697 PolarHBondContact NE2-OG 3.48Å; Q1691-T1699 PolarHBondContact NE2-O 3.34Å; Q1691-L1704 VanDerWaalsContact CD-CD1 3.41Å; Q1691-L1704 VanDerWaalsContact OE1-CD1 3.28Å |
| 1692 | Q | 55.8 | Low | 61.5 | Low | 115 Ų | 115 | 69.5 Ų | 69.5 | 54% | 0.537 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.4 | -24.6 | 174.3 | -74.5 | 178 | -13.3 | 0 | 0 | 113.2 | Q1688 | Q1688-Q1692 WeakPolarHBondContact O-CG 3.24Å; Q1688-Q1692 PolarHBondContact O-N 3.07Å |
| 1693 | Y | 51.4 | Low | 61 | Low | 175 Ų | 175 | 69.9 Ų | 69.9 | 69% | 0.686 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -98.9 | -10.5 | 172.9 | -62.2 | -49.7 | 0 | 0 | 0 | 114.8 | K1689 Q1690 Q1691 | K1689-Y1693 WeakPolarHBondContact O-CD2 3.22Å; K1689-Y1693 PolarHBondContact O-N 3.16Å; Q1690-Y1693 PolarHBondContact O-N 2.72Å; Q1691-Y1693 PolarHBondContact O-N 3.25Å; Q1691-Y1693 VanDerWaalsContact O-N 3.11Å |
| 1694 | H | 42.6 | Very low | 60.8 | Low | 93 Ų | 93 | 69.4 Ų | 69.4 | 43% | 0.431 | 37% | 0.371 | S | S | . | . | trans | -147.9 | 100.4 | -177 | -64 | -50.1 | 0 | 0 | 0 | 112.6 | Q1690 Q1691 S1696 | Q1690-H1694 WeakPolarHBondContact O-CB 3.44Å; Q1690-H1694 PolarHBondContact O-N 2.85Å; Q1691-H1694 CarbonylContact O-C 3.39Å; Q1691-H1694 VanDerWaalsContact O-C 3.26Å; Q1691-H1694 PolarHBondContact O-N 3.22Å; H1694-S1696 PolarHBondContact O-N 3.21Å | ||
| 1695 | L | 31.8 | Very low | 60.7 | Low | 138 Ų | 138 | 71.7 Ų | 71.7 | 72% | 0.723 | 39% | 0.385 | S | S | * | . | trans | -69.6 | 72.5 | 170.9 | -73.5 | 77.1 | 0 | 0 | 0 | 111.7 | K436 | K436-L1695 PolarHBondContact NZ-O 2.95Š| ||
| 1696 | S | 35.2 | Very low | 60.6 | Low | 54 Ų | 54 | 74.4 Ų | 74.4 | 38% | 0.378 | 40% | 0.397 | S | S | . | . | trans | -168.5 | 73.5 | 173.3 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | T386 H1694 | T386-S1696 WeakPolarHBondContact CG2-O 3.39Å; T386-S1696 PolarHBondContact OG1-O 3.44Å; H1694-S1696 PolarHBondContact O-N 3.21Å | ||
| 1697 | S | 39.2 | Very low | 60.8 | Low | 43 Ų | 43 | 75.9 Ų | 75.9 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | trans | -154.3 | 148.7 | 161.7 | 63.9 | 0 | 0 | 0 | 0 | 112.1 | Q1691 T1699 | Q1691-S1697 PolarHBondContact NE2-OG 3.48Å; S1697-T1699 VanDerWaalsContact C-N 3.32Å; S1697-T1699 PolarHBondContact O-N 3.05Å; S1697-T1699 VanDerWaalsContact O-N 3.13Å | ||
| 1698 | S | 45.6 | Very low | 61.4 | Low | 122 Ų | 122 | 75.1 Ų | 75.1 | 85% | 0.853 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -87.4 | 48.2 | -169.7 | 62 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1699 | T | 49.3 | Very low | 61.9 | Low | 48 Ų | 48 | 77.6 Ų | 77.6 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -138.5 | 129.6 | 172.2 | -50.6 | 0 | 0 | 0 | 0 | 105.8 | Q1691 S1697 D1703 L1704 | Q1691-T1699 PolarHBondContact NE2-O 3.34Å; S1697-T1699 VanDerWaalsContact C-N 3.32Å; S1697-T1699 PolarHBondContact O-N 3.05Å; S1697-T1699 VanDerWaalsContact O-N 3.13Å; T1699-D1703 HydrophobicContact CG2-CB 4Å; T1699-L1704 HydrophobicContact CG2-CD1 4Å; T1699-L1704 HydrophobicContact CG2-CG 3.87Å |
| 1700 | S | 55.5 | Low | 62.4 | Low | 45 Ų | 45 | 76.3 Ų | 76.3 | 32% | 0.315 | 41% | 0.407 | S | S | . | . | trans | -67.2 | 155.8 | -174.3 | 93.6 | 0 | 0 | 0 | 0 | 110.3 | S1702 D1703 L1704 | S1700-S1702 PolarHBondContact O-N 2.94Å; S1700-S1702 PolarHBondContact OG-N 2.76Å; S1700-S1702 PolarHBondContact OG-OG 2.95Å; S1700-D1703 VanDerWaalsContact CB-OD2 3.3Å; S1700-D1703 WeakPolarHBondContact CB-OD2 3.49Å; S1700-D1703 PolarHBondContact N-OD2 2.85Å; S1700-D1703 PolarHBondContact O-N 2.78Å; S1700-D1703 PolarHBondContact OG-N 2.84Å; S1700-D1703 PolarHBondContact OG-OD1 3.45Å; S1700-D1703 PolarHBondContact OG-OD2 3.39Å; S1700-D1703 VanDerWaalsContact OG-OD2 3.07Å; S1700-L1704 PolarHBondContact O-N 3.33Å | ||
| 1701 | M | 66.1 | Low | 63.4 | Low | 106 Ų | 106 | 73.4 Ų | 73.4 | 52% | 0.522 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 174.6 | -80.5 | -99.4 | -68.3 | 0 | 0 | 110.9 | V1705 | M1701-V1705 WeakPolarHBondContact O-CB 3.24Å; M1701-V1705 VanDerWaalsContact O-CG2 3.26Å; M1701-V1705 WeakPolarHBondContact O-CG2 3.28Å; M1701-V1705 PolarHBondContact O-N 3.49Å |
| 1702 | S | 70.7 | Confident | 64.6 | Low | 72 Ų | 72 | 73.8 Ų | 73.8 | 50% | 0.503 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.1 | -52.2 | 173.5 | 11 | 0 | 0 | 0 | 0 | 111.2 | S1700 L1704 V1705 I1706 | S1700-S1702 PolarHBondContact O-N 2.94Å; S1700-S1702 PolarHBondContact OG-N 2.76Å; S1700-S1702 PolarHBondContact OG-OG 2.95Å; S1702-L1704 PolarHBondContact O-N 3.39Å; S1702-V1705 PolarHBondContact O-N 3.29Å; S1702-V1705 VanDerWaalsContact O-N 3.12Å; S1702-I1706 WeakPolarHBondContact O-CB 3.3Å; S1702-I1706 VanDerWaalsContact O-CG1 3.23Å; S1702-I1706 WeakPolarHBondContact O-CG1 3.5Å; S1702-I1706 PolarHBondContact O-N 2.87Å |
| 1703 | D | 71.1 | Confident | 66.2 | Low | 83 Ų | 83 | 74.7 Ų | 74.7 | 44% | 0.444 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.4 | -40.3 | -178.5 | -36.2 | -30.7 | 0 | 0 | 0 | 111.2 | T1699 S1700 E1707 | T1699-D1703 HydrophobicContact CG2-CB 4Å; S1700-D1703 VanDerWaalsContact CB-OD2 3.3Å; S1700-D1703 WeakPolarHBondContact CB-OD2 3.49Å; S1700-D1703 PolarHBondContact N-OD2 2.85Å; S1700-D1703 PolarHBondContact O-N 2.78Å; S1700-D1703 PolarHBondContact OG-N 2.84Å; S1700-D1703 PolarHBondContact OG-OD1 3.45Å; S1700-D1703 PolarHBondContact OG-OD2 3.39Å; S1700-D1703 VanDerWaalsContact OG-OD2 3.07Å; D1703-E1707 PolarHBondContact O-N 2.89Å |
| 1704 | L | 75.7 | Confident | 68 | Low | 13 Ų | 13 | 69.4 Ų | 69.4 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -73.9 | -36.9 | 179.1 | -85.6 | 163.2 | 0 | 0 | 0 | 113 | L1684 Q1691 T1699 S1700 S1702 I1706 I1708 | L1684-L1704 HydrophobicContact CD2-CD2 3.85Å; Q1691-L1704 VanDerWaalsContact CD-CD1 3.41Å; Q1691-L1704 VanDerWaalsContact OE1-CD1 3.28Å; T1699-L1704 HydrophobicContact CG2-CD1 4Å; T1699-L1704 HydrophobicContact CG2-CG 3.87Å; S1700-L1704 PolarHBondContact O-N 3.33Å; S1702-L1704 PolarHBondContact O-N 3.39Å; L1704-I1706 VanDerWaalsContact C-N 3.34Å; L1704-I1708 WeakPolarHBondContact O-CB 3.33Å; L1704-I1708 VanDerWaalsContact O-CD1 3.28Å; L1704-I1708 WeakPolarHBondContact O-CD1 3.45Å; L1704-I1708 WeakPolarHBondContact O-CG1 3.45Å; L1704-I1708 PolarHBondContact O-N 2.59Å |
| 1705 | V | 79.4 | Confident | 70.2 | Confident | 53 Ų | 53 | 65 Ų | 65 | 32% | 0.321 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 172.1 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | M1701 S1702 I1708 N1709 | M1701-V1705 WeakPolarHBondContact O-CB 3.24Å; M1701-V1705 VanDerWaalsContact O-CG2 3.26Å; M1701-V1705 WeakPolarHBondContact O-CG2 3.28Å; M1701-V1705 PolarHBondContact O-N 3.49Å; S1702-V1705 PolarHBondContact O-N 3.29Å; S1702-V1705 VanDerWaalsContact O-N 3.12Å; V1705-I1708 PolarHBondContact O-N 3.1Å; V1705-N1709 WeakPolarHBondContact O-CB 3.38Å; V1705-N1709 VanDerWaalsContact O-CG 3.22Å; V1705-N1709 PolarHBondContact O-N 2.89Å; V1705-N1709 PolarHBondContact O-ND2 3Å |
| 1706 | I | 79 | Confident | 72.9 | Confident | 89 Ų | 89 | 60.7 Ų | 60.7 | 46% | 0.456 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.4 | -54.8 | 175.3 | -70.8 | 165.1 | 0 | 0 | 0 | 110.3 | S1702 L1704 I1708 N1709 H1710 | S1702-I1706 WeakPolarHBondContact O-CB 3.3Å; S1702-I1706 VanDerWaalsContact O-CG1 3.23Å; S1702-I1706 WeakPolarHBondContact O-CG1 3.5Å; S1702-I1706 PolarHBondContact O-N 2.87Å; L1704-I1706 VanDerWaalsContact C-N 3.34Å; I1706-I1708 VanDerWaalsContact C-N 3.33Å; I1706-I1708 PolarHBondContact O-N 3.01Å; I1706-N1709 CarbonylContact O-C 3.57Å; I1706-N1709 WeakPolarHBondContact O-CA 3.45Å; I1706-N1709 WeakPolarHBondContact O-CB 3.44Å; I1706-N1709 PolarHBondContact O-N 3.3Å; I1706-H1710 PolarHBondContact O-CD2 2.93Å; I1706-H1710 PolarHBondContact O-N 3.15Å |
| 1707 | E | 80.8 | Confident | 75.5 | Confident | 60 Ų | 60 | 63 Ų | 63 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.4 | -34.1 | 178.4 | -171.2 | 67.5 | -127.9 | 0 | 0 | 112.2 | L1684 D1703 N1709 H1710 Q1711 R1714 | L1684-E1707 HydrophobicContact CD1-CG 3.84Å; D1703-E1707 PolarHBondContact O-N 2.89Å; E1707-N1709 VanDerWaalsContact C-N 3.31Å; E1707-N1709 PolarHBondContact O-N 2.89Å; E1707-H1710 PolarHBondContact O-N 2.8Å; E1707-Q1711 HydrophobicContact CG-CG 4.14Å; E1707-Q1711 WeakPolarHBondContact O-CB 3.21Å; E1707-Q1711 VanDerWaalsContact O-CG 3.29Å; E1707-Q1711 WeakPolarHBondContact O-CG 3.47Å; E1707-Q1711 PolarHBondContact O-N 3.45Å; E1707-Q1711 WeakPolarHBondContact OE1-CG 3.5Å; E1707-R1714 IonicContact OE1-CZ 3.27Å; E1707-R1714 IonicContact OE1-NH1 3.48Å; E1707-R1714 PolarHBondContact OE1-NH1 3.3Å |
| 1708 | I | 84.4 | Confident | 77.9 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 9% | 0.087 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 170.8 | -75 | 165 | 0 | 0 | 0 | 110.8 | L1681 L1684 Q1688 L1704 V1705 I1706 S1712 | L1681-I1708 HydrophobicContact CD1-CG2 4.21Å; L1684-I1708 HydrophobicContact CB-CD1 4.31Å; L1684-I1708 HydrophobicContact CB-CG1 3.64Å; Q1688-I1708 HydrophobicContact CB-CD1 3.71Å; Q1688-I1708 HydrophobicContact CG-CD1 4.13Å; L1704-I1708 WeakPolarHBondContact O-CB 3.33Å; L1704-I1708 VanDerWaalsContact O-CD1 3.28Å; L1704-I1708 WeakPolarHBondContact O-CD1 3.45Å; L1704-I1708 WeakPolarHBondContact O-CG1 3.45Å; L1704-I1708 PolarHBondContact O-N 2.59Å; V1705-I1708 PolarHBondContact O-N 3.1Å; I1706-I1708 VanDerWaalsContact C-N 3.33Å; I1706-I1708 PolarHBondContact O-N 3.01Å; I1708-S1712 WeakPolarHBondContact O-CA 3.25Å; I1708-S1712 WeakPolarHBondContact O-CB 3.34Å; I1708-S1712 PolarHBondContact O-N 3.27Å |
| 1709 | N | 85.5 | Confident | 79.9 | Confident | 99 Ų | 99 | 56.1 Ų | 56.1 | 53% | 0.529 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.5 | -41 | 176.9 | -75.2 | -18.9 | 0 | 0 | 0 | 112.2 | V1705 I1706 E1707 S1712 K1713 | V1705-N1709 WeakPolarHBondContact O-CB 3.38Å; V1705-N1709 VanDerWaalsContact O-CG 3.22Å; V1705-N1709 PolarHBondContact O-N 2.89Å; V1705-N1709 PolarHBondContact O-ND2 3Å; I1706-N1709 CarbonylContact O-C 3.57Å; I1706-N1709 WeakPolarHBondContact O-CA 3.45Å; I1706-N1709 WeakPolarHBondContact O-CB 3.44Å; I1706-N1709 PolarHBondContact O-N 3.3Å; E1707-N1709 VanDerWaalsContact C-N 3.31Å; E1707-N1709 PolarHBondContact O-N 2.89Å; N1709-S1712 WeakPolarHBondContact O-CB 3.49Å; N1709-S1712 PolarHBondContact O-N 3.33Å; N1709-K1713 WeakPolarHBondContact O-CB 3.28Å; N1709-K1713 PolarHBondContact O-N 3.1Å |
| 1710 | H | 84.5 | Confident | 81.7 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 41% | 0.412 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 172.9 | -76.1 | -79.8 | 0 | 0 | 0 | 111.8 | I1706 E1707 K1713 R1714 | I1706-H1710 PolarHBondContact O-CD2 2.93Å; I1706-H1710 PolarHBondContact O-N 3.15Å; E1707-H1710 PolarHBondContact O-N 2.8Å; H1710-K1713 CarbonylContact O-C 3.54Å; H1710-K1713 WeakPolarHBondContact O-CB 3.22Å; H1710-K1713 PolarHBondContact O-N 3.3Å; H1710-R1714 WeakPolarHBondContact O-CG 3.16Å; H1710-R1714 PolarHBondContact O-N 3.02Å |
| 1711 | Q | 86.4 | Confident | 83.2 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.4 | -35.5 | 177.7 | -67 | -71.1 | 62.5 | 0 | 0 | 112.5 | E1677 L1681 L1684 E1707 K1713 R1714 V1715 | E1677-Q1711 PolarHBondContact OE2-NE2 3.03Å; E1677-Q1711 PolarHBondContact OE2-OE1 2.9Å; L1681-Q1711 HydrophobicContact CB-CB 4.42Å; L1681-Q1711 HydrophobicContact CD1-CB 4.07Å; L1684-Q1711 HydrophobicContact CD1-CB 4.22Å; L1684-Q1711 HydrophobicContact CD1-CG 3.69Å; E1707-Q1711 HydrophobicContact CG-CG 4.14Å; E1707-Q1711 WeakPolarHBondContact O-CB 3.21Å; E1707-Q1711 VanDerWaalsContact O-CG 3.29Å; E1707-Q1711 WeakPolarHBondContact O-CG 3.47Å; E1707-Q1711 PolarHBondContact O-N 3.45Å; E1707-Q1711 WeakPolarHBondContact OE1-CG 3.5Å; Q1711-K1713 VanDerWaalsContact C-N 3.31Å; Q1711-K1713 PolarHBondContact O-N 2.87Å; Q1711-R1714 VanDerWaalsContact CD-NH1 3.31Å; Q1711-R1714 PolarHBondContact O-N 3.01Å; Q1711-V1715 WeakPolarHBondContact O-CB 3.37Å; Q1711-V1715 WeakPolarHBondContact O-CG2 3.46Å; Q1711-V1715 PolarHBondContact O-N 2.64Å |
| 1712 | S | 87.1 | Confident | 84.2 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 169.3 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | I1708 N1709 S1716 R1746 | I1708-S1712 WeakPolarHBondContact O-CA 3.25Å; I1708-S1712 WeakPolarHBondContact O-CB 3.34Å; I1708-S1712 PolarHBondContact O-N 3.27Å; N1709-S1712 WeakPolarHBondContact O-CB 3.49Å; N1709-S1712 PolarHBondContact O-N 3.33Å; S1712-S1716 WeakPolarHBondContact O-CB 3.31Å; S1712-S1716 PolarHBondContact O-N 3.26Å; S1712-S1716 VanDerWaalsContact O-N 3.14Å; S1712-S1716 PolarHBondContact O-OG 3.5Å; S1712-R1746 PolarHBondContact O-NH1 2.69Å; S1712-R1746 PolarHBondContact OG-NH2 3.5Å |
| 1713 | K | 89 | Confident | 84.9 | Confident | 134 Ų | 134 | 52.6 Ų | 52.6 | 58% | 0.583 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -67.8 | -46.9 | 177.1 | -170.2 | 175.7 | -179.5 | -180 | 0 | 111.8 | N1709 H1710 Q1711 S1716 Q1717 | N1709-K1713 WeakPolarHBondContact O-CB 3.28Å; N1709-K1713 PolarHBondContact O-N 3.1Å; H1710-K1713 CarbonylContact O-C 3.54Å; H1710-K1713 WeakPolarHBondContact O-CB 3.22Å; H1710-K1713 PolarHBondContact O-N 3.3Å; Q1711-K1713 VanDerWaalsContact C-N 3.31Å; Q1711-K1713 PolarHBondContact O-N 2.87Å; K1713-S1716 WeakPolarHBondContact O-CB 3.19Å; K1713-S1716 PolarHBondContact O-N 2.73Å; K1713-S1716 VanDerWaalsContact O-N 3.12Å; K1713-Q1717 WeakPolarHBondContact O-CG 3.44Å; K1713-Q1717 PolarHBondContact O-N 2.86Å |
| 1714 | R | 89.5 | Confident | 85.5 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 24% | 0.242 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.4 | -52.1 | 175.8 | -68.9 | -171.2 | -161.8 | 106.9 | 1 | 111.1 | E1707 H1710 Q1711 S1716 Q1717 L1718 | E1707-R1714 IonicContact OE1-CZ 3.27Å; E1707-R1714 IonicContact OE1-NH1 3.48Å; E1707-R1714 PolarHBondContact OE1-NH1 3.3Å; H1710-R1714 WeakPolarHBondContact O-CG 3.16Å; H1710-R1714 PolarHBondContact O-N 3.02Å; Q1711-R1714 VanDerWaalsContact CD-NH1 3.31Å; Q1711-R1714 PolarHBondContact O-N 3.01Å; R1714-S1716 VanDerWaalsContact C-N 3.25Å; R1714-S1716 PolarHBondContact O-N 2.88Å; R1714-Q1717 WeakPolarHBondContact O-CB 3.46Å; R1714-Q1717 PolarHBondContact O-N 3.37Å; R1714-L1718 WeakPolarHBondContact O-CG 3.47Å; R1714-L1718 PolarHBondContact O-N 2.54Å |
| 1715 | V | 89.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.5 | -39.2 | 175.7 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | L1674 E1677 L1681 Q1711 L1718 L1719 | L1674-V1715 HydrophobicContact CD1-CG1 3.95Å; E1677-V1715 HydrophobicContact CB-CG2 3.61Å; L1681-V1715 HydrophobicContact CD2-CB 4.49Å; L1681-V1715 HydrophobicContact CD2-CG2 4.27Å; Q1711-V1715 WeakPolarHBondContact O-CB 3.37Å; Q1711-V1715 WeakPolarHBondContact O-CG2 3.46Å; Q1711-V1715 PolarHBondContact O-N 2.64Å; V1715-L1718 PolarHBondContact O-N 3.02Å; V1715-L1719 HydrophobicContact CG1-CD1 3.94Å; V1715-L1719 HydrophobicContact CG1-CG 4.5Å; V1715-L1719 WeakPolarHBondContact O-CB 3.4Å; V1715-L1719 WeakPolarHBondContact O-CD1 3.42Å; V1715-L1719 VanDerWaalsContact O-CG 3.23Å; V1715-L1719 WeakPolarHBondContact O-CG 3.16Å; V1715-L1719 PolarHBondContact O-N 2.94Å |
| 1716 | S | 88.2 | Confident | 85.9 | Confident | 49 Ų | 49 | 59 Ų | 59 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.4 | -34.2 | 177.4 | -53.6 | 0 | 0 | 0 | 0 | 113 | S1712 K1713 R1714 T1720 R1746 | S1712-S1716 WeakPolarHBondContact O-CB 3.31Å; S1712-S1716 PolarHBondContact O-N 3.26Å; S1712-S1716 VanDerWaalsContact O-N 3.14Å; S1712-S1716 PolarHBondContact O-OG 3.5Å; K1713-S1716 WeakPolarHBondContact O-CB 3.19Å; K1713-S1716 PolarHBondContact O-N 2.73Å; K1713-S1716 VanDerWaalsContact O-N 3.12Å; R1714-S1716 VanDerWaalsContact C-N 3.25Å; R1714-S1716 PolarHBondContact O-N 2.88Å; S1716-T1720 WeakPolarHBondContact O-CB 3.47Å; S1716-T1720 PolarHBondContact O-N 2.8Å; S1716-T1720 PolarHBondContact O-OG1 2.96Å; S1716-R1746 PolarHBondContact OG-NH1 3.2Å |
| 1717 | Q | 89.3 | Confident | 86.1 | Confident | 101 Ų | 101 | 57.2 Ų | 57.2 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 172.3 | -70.8 | 167.2 | -51.6 | 0 | 0 | 111.2 | K1713 R1714 L1719 T1720 Q1721 | K1713-Q1717 WeakPolarHBondContact O-CG 3.44Å; K1713-Q1717 PolarHBondContact O-N 2.86Å; R1714-Q1717 WeakPolarHBondContact O-CB 3.46Å; R1714-Q1717 PolarHBondContact O-N 3.37Å; Q1717-L1719 PolarHBondContact O-N 3.4Å; Q1717-T1720 WeakPolarHBondContact O-CB 3.42Å; Q1717-T1720 PolarHBondContact O-N 2.95Å; Q1717-T1720 VanDerWaalsContact O-N 3.15Å; Q1717-Q1721 WeakPolarHBondContact O-CG 3.4Å; Q1717-Q1721 PolarHBondContact O-N 2.95Å |
| 1718 | L | 89.9 | Confident | 86.2 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -39 | 176.8 | -59.1 | -177.4 | 0 | 0 | 0 | 112.3 | L1670 Y1673 L1674 E1677 R1714 V1715 T1720 Q1721 L1722 | L1670-L1718 HydrophobicContact CD1-CB 4.35Å; L1670-L1718 HydrophobicContact CD1-CD2 3.76Å; Y1673-L1718 HydrophobicContact CD1-CD1 3.87Å; Y1673-L1718 HydrophobicContact CD1-CD2 3.49Å; Y1673-L1718 VanDerWaalsContact CD1-CD2 3.49Å; Y1673-L1718 HydrophobicContact CD1-CG 4.34Å; Y1673-L1718 HydrophobicContact CD2-CD1 3.76Å; Y1673-L1718 HydrophobicContact CE1-CD1 4.01Å; Y1673-L1718 HydrophobicContact CE1-CD2 3.33Å; Y1673-L1718 HydrophobicContact CE1-CG 4.3Å; Y1673-L1718 HydrophobicContact CE2-CD1 3.9Å; Y1673-L1718 HydrophobicContact CG-CD1 3.7Å; Y1673-L1718 HydrophobicContact CG-CD2 4.2Å; L1674-L1718 HydrophobicContact CB-CB 4.45Å; L1674-L1718 HydrophobicContact CD1-CB 4.22Å; E1677-L1718 HydrophobicContact CB-CD1 4.27Å; E1677-L1718 HydrophobicContact CG-CD1 3.89Å; R1714-L1718 WeakPolarHBondContact O-CG 3.47Å; R1714-L1718 PolarHBondContact O-N 2.54Å; V1715-L1718 PolarHBondContact O-N 3.02Å; L1718-T1720 VanDerWaalsContact C-N 3.32Å; L1718-T1720 PolarHBondContact O-N 3.19Å; L1718-Q1721 PolarHBondContact O-N 3.07Å; L1718-L1722 WeakPolarHBondContact O-CB 3.23Å; L1718-L1722 PolarHBondContact O-N 2.77Å |
| 1719 | L | 87.1 | Confident | 86.2 | Confident | 16 Ų | 16 | 59 Ų | 59 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 172.3 | -73 | 165.5 | 0 | 0 | 0 | 112 | L1674 V1715 Q1717 L1722 L1723 L1738 R1746 L1750 | L1674-L1719 HydrophobicContact CD1-CD2 3.88Å; L1674-L1719 HydrophobicContact CD1-CG 3.79Å; L1674-L1719 HydrophobicContact CD2-CD2 3.68Å; L1674-L1719 HydrophobicContact CD2-CG 4.44Å; L1674-L1719 HydrophobicContact CG-CD2 4.43Å; V1715-L1719 HydrophobicContact CG1-CD1 3.94Å; V1715-L1719 HydrophobicContact CG1-CG 4.5Å; V1715-L1719 WeakPolarHBondContact O-CB 3.4Å; V1715-L1719 WeakPolarHBondContact O-CD1 3.42Å; V1715-L1719 VanDerWaalsContact O-CG 3.23Å; V1715-L1719 WeakPolarHBondContact O-CG 3.16Å; V1715-L1719 PolarHBondContact O-N 2.94Å; Q1717-L1719 PolarHBondContact O-N 3.4Å; L1719-L1722 PolarHBondContact O-N 2.9Å; L1719-L1723 WeakPolarHBondContact O-CB 3.44Å; L1719-L1723 VanDerWaalsContact O-CG 3.31Å; L1719-L1723 WeakPolarHBondContact O-CG 3.41Å; L1719-L1723 PolarHBondContact O-N 2.89Å; L1719-L1738 HydrophobicContact CD1-CD1 4.19Å; L1719-L1738 HydrophobicContact CD2-CD1 3.62Å; L1719-L1738 HydrophobicContact CG-CD1 4.48Å; L1719-R1746 HydrophobicContact CD1-CB 4.36Å; L1719-L1750 HydrophobicContact CB-CD1 4.37Å; L1719-L1750 HydrophobicContact CD2-CD1 3.38Å; L1719-L1750 HydrophobicContact CG-CD1 4.42Å |
| 1720 | T | 87.2 | Confident | 86.3 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 39% | 0.393 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.6 | -42 | 176.9 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | S1716 Q1717 L1718 L1722 L1723 N1724 | S1716-T1720 WeakPolarHBondContact O-CB 3.47Å; S1716-T1720 PolarHBondContact O-N 2.8Å; S1716-T1720 PolarHBondContact O-OG1 2.96Å; Q1717-T1720 WeakPolarHBondContact O-CB 3.42Å; Q1717-T1720 PolarHBondContact O-N 2.95Å; Q1717-T1720 VanDerWaalsContact O-N 3.15Å; L1718-T1720 VanDerWaalsContact C-N 3.32Å; L1718-T1720 PolarHBondContact O-N 3.19Å; T1720-L1722 PolarHBondContact O-N 2.83Å; T1720-L1723 PolarHBondContact O-N 2.99Å; T1720-N1724 WeakPolarHBondContact O-CB 3.46Å; T1720-N1724 PolarHBondContact O-N 2.91Å; T1720-N1724 PolarHBondContact O-OD1 3.33Å |
| 1721 | Q | 87.9 | Confident | 86.4 | Confident | 96 Ų | 96 | 51.8 Ų | 51.8 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 173.1 | -72.8 | 175.7 | -13.7 | 0 | 0 | 111.9 | L1670 Q1717 L1718 N1724 L1725 | L1670-Q1721 HydrophobicContact CD1-CB 4.45Å; L1670-Q1721 HydrophobicContact CD2-CB 3.71Å; Q1717-Q1721 WeakPolarHBondContact O-CG 3.4Å; Q1717-Q1721 PolarHBondContact O-N 2.95Å; L1718-Q1721 PolarHBondContact O-N 3.07Å; Q1721-N1724 PolarHBondContact O-N 2.72Å; Q1721-L1725 WeakPolarHBondContact O-CG 3.4Å; Q1721-L1725 PolarHBondContact O-N 2.87Å |
| 1722 | L | 86.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.6 | -36.3 | -179.6 | -168.2 | 70.3 | 0 | 0 | 0 | 112.2 | L1670 L1674 L1718 L1719 T1720 F1730 I1731 A1734 | L1670-L1722 HydrophobicContact CB-CD1 4.42Å; L1670-L1722 HydrophobicContact CD2-CB 3.88Å; L1670-L1722 HydrophobicContact CD2-CD1 3.98Å; L1670-L1722 HydrophobicContact CG-CB 4.46Å; L1670-L1722 HydrophobicContact CG-CD1 4.29Å; L1674-L1722 HydrophobicContact CD2-CD2 4.09Å; L1718-L1722 WeakPolarHBondContact O-CB 3.23Å; L1718-L1722 PolarHBondContact O-N 2.77Å; L1719-L1722 PolarHBondContact O-N 2.9Å; T1720-L1722 PolarHBondContact O-N 2.83Å; L1722-F1730 HydrophobicContact CD1-CB 4.24Å; L1722-I1731 HydrophobicContact CG-CG1 4.11Å; L1722-A1734 HydrophobicContact CD2-CB 3.39Å |
| 1723 | L | 84.8 | Confident | 86.4 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 169.5 | -77.4 | 167.1 | 0 | 0 | 0 | 111.7 | L1719 T1720 L1725 N1726 I1731 L1750 | L1719-L1723 WeakPolarHBondContact O-CB 3.44Å; L1719-L1723 VanDerWaalsContact O-CG 3.31Å; L1719-L1723 WeakPolarHBondContact O-CG 3.41Å; L1719-L1723 PolarHBondContact O-N 2.89Å; T1720-L1723 PolarHBondContact O-N 2.99Å; L1723-L1725 VanDerWaalsContact C-N 3.33Å; L1723-L1725 PolarHBondContact O-N 3.26Å; L1723-N1726 WeakPolarHBondContact O-CA 3.4Å; L1723-N1726 PolarHBondContact O-N 3.39Å; L1723-I1731 HydrophobicContact CD2-CD1 4.5Å; L1723-I1731 HydrophobicContact CD2-CG2 4.3Å; L1723-L1750 HydrophobicContact CD1-CD1 4.25Å; L1723-L1750 HydrophobicContact CD1-CG 4.31Å; L1723-L1750 HydrophobicContact CD2-CD1 4.37Å; L1723-L1750 HydrophobicContact CD2-CD2 4.19Å; L1723-L1750 HydrophobicContact CD2-CG 4.08Å; L1723-L1750 HydrophobicContact CG-CD1 4.15Å; L1723-L1750 HydrophobicContact CG-CG 4.33Å |
| 1724 | N | 85.3 | Confident | 86.3 | Confident | 128 Ų | 128 | 49.8 Ų | 49.8 | 68% | 0.684 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -67.3 | -28.9 | -179.8 | -70 | -1.2 | 0 | 0 | 0 | 113.3 | T1720 Q1721 N1726 | T1720-N1724 WeakPolarHBondContact O-CB 3.46Å; T1720-N1724 PolarHBondContact O-N 2.91Å; T1720-N1724 PolarHBondContact O-OD1 3.33Å; Q1721-N1724 PolarHBondContact O-N 2.72Å; N1724-N1726 PolarHBondContact O-N 2.91Å |
| 1725 | L | 83.5 | Confident | 86.3 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 16% | 0.162 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.5 | 170.1 | -67.2 | 172.4 | 0 | 0 | 0 | 112.8 | L1663 Q1666 S1667 L1670 Q1721 L1723 Q1727 | L1663-L1725 HydrophobicContact CD2-CD2 3.6Å; Q1666-L1725 HydrophobicContact CB-CD1 4.3Å; S1667-L1725 WeakPolarHBondContact OG-CD1 3.14Å; L1670-L1725 HydrophobicContact CD2-CD1 3.72Å; Q1721-L1725 WeakPolarHBondContact O-CG 3.4Å; Q1721-L1725 PolarHBondContact O-N 2.87Å; L1723-L1725 VanDerWaalsContact C-N 3.33Å; L1723-L1725 PolarHBondContact O-N 3.26Å; L1725-Q1727 HydrophobicContact CB-CG 4.39Å; L1725-Q1727 WeakPolarHBondContact O-CG 3.47Å; L1725-Q1727 PolarHBondContact O-N 2.69Å; L1725-Q1727 PolarHBondContact O-NE2 3.42Å; L1725-Q1727 VanDerWaalsContact O-NE2 3.13Å |
| 1726 | N | 79.9 | Confident | 86.2 | Confident | 125 Ų | 125 | 48.6 Ų | 48.6 | 67% | 0.668 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 26 | 176.8 | -159.4 | 22.8 | 0 | 0 | 0 | 115.3 | L1723 N1724 A1728 | L1723-N1726 WeakPolarHBondContact O-CA 3.4Å; L1723-N1726 PolarHBondContact O-N 3.39Å; N1724-N1726 PolarHBondContact O-N 2.91Å; N1726-A1728 PolarHBondContact O-N 3Å |
| 1727 | Q | 81.8 | Confident | 86 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 23% | 0.234 | 24% | 0.243 | C | C | . | . | trans | -87.9 | 88.1 | -179.9 | -60.3 | -58.6 | -64.4 | 0 | 0 | 110.9 | L1663 S1667 L1725 P1729 F1730 I1731 | L1663-Q1727 HydrophobicContact CB-CG 4.47Å; S1667-Q1727 VanDerWaalsContact OG-CG 3.3Å; S1667-Q1727 WeakPolarHBondContact OG-CG 3.45Å; L1725-Q1727 HydrophobicContact CB-CG 4.39Å; L1725-Q1727 WeakPolarHBondContact O-CG 3.47Å; L1725-Q1727 PolarHBondContact O-N 2.69Å; L1725-Q1727 PolarHBondContact O-NE2 3.42Å; L1725-Q1727 VanDerWaalsContact O-NE2 3.13Å; Q1727-P1729 VanDerWaalsContact C-N 3.31Å; Q1727-P1729 VanDerWaalsContact O-N 3.08Å; Q1727-F1730 HydrophobicContact CB-CD2 3.67Å; Q1727-F1730 HydrophobicContact CB-CE2 4.47Å; Q1727-F1730 HydrophobicContact CG-CD2 4.31Å; Q1727-F1730 PolarHBondContact O-N 2.91Å; Q1727-I1731 WeakPolarHBondContact O-CG1 3.16Å; Q1727-I1731 PolarHBondContact O-N 2.81Å | ||
| 1728 | A | 83.1 | Confident | 85.9 | Confident | 30 Ų | 30 | 41.9 Ų | 41.9 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -45.8 | -40 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | N1726 F1730 I1731 R1732 | N1726-A1728 PolarHBondContact O-N 3Å; A1728-F1730 PolarHBondContact O-N 2.71Å; A1728-I1731 PolarHBondContact O-N 2.96Å; A1728-R1732 VanDerWaalsContact O-CB 3.31Å; A1728-R1732 WeakPolarHBondContact O-CB 3.37Å; A1728-R1732 PolarHBondContact O-N 2.72Å |
| 1729 | P | 85.4 | Confident | 85.7 | Confident | 86 Ų | 86 | 41.8 Ų | 41.8 | 56% | 0.558 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.8 | -38.8 | 178.1 | -23.2 | 35.1 | 0 | 0 | 0 | 114.2 | Q1727 R1732 K1733 | Q1727-P1729 VanDerWaalsContact C-N 3.31Å; Q1727-P1729 VanDerWaalsContact O-N 3.08Å; P1729-R1732 PolarHBondContact O-N 2.77Å; P1729-K1733 PolarHBondContact O-N 2.91Å |
| 1730 | F | 86.7 | Confident | 85.5 | Confident | 32 Ų | 32 | 45.9 Ų | 45.9 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -77.1 | -37.2 | 178.8 | -61.2 | -66.3 | 0 | 0 | 0 | 111.3 | T1664 R1668 L1722 Q1727 A1728 R1732 K1733 A1734 | T1664-F1730 HydrophobicContact CG2-CE2 4.37Å; R1668-F1730 HydrophobicContact CB-CE1 4.46Å; R1668-F1730 HydrophobicContact CG-CD1 4.24Å; R1668-F1730 HydrophobicContact CG-CE1 3.38Å; R1668-F1730 HydrophobicContact CG-CZ 3.67Å; L1722-F1730 HydrophobicContact CD1-CB 4.24Å; Q1727-F1730 HydrophobicContact CB-CD2 3.67Å; Q1727-F1730 HydrophobicContact CB-CE2 4.47Å; Q1727-F1730 HydrophobicContact CG-CD2 4.31Å; Q1727-F1730 PolarHBondContact O-N 2.91Å; A1728-F1730 PolarHBondContact O-N 2.71Å; F1730-R1732 VanDerWaalsContact C-N 3.28Å; F1730-R1732 PolarHBondContact O-N 2.78Å; F1730-K1733 PolarHBondContact O-N 2.9Å; F1730-A1734 WeakPolarHBondContact O-CB 3.38Å; F1730-A1734 PolarHBondContact O-N 2.89Å |
| 1731 | I | 87.5 | Confident | 85.2 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 170.6 | -61.6 | 168.8 | 0 | 0 | 0 | 110.2 | L1722 L1723 Q1727 A1728 A1734 I1735 L1750 Q1754 | L1722-I1731 HydrophobicContact CG-CG1 4.11Å; L1723-I1731 HydrophobicContact CD2-CD1 4.5Å; L1723-I1731 HydrophobicContact CD2-CG2 4.3Å; Q1727-I1731 WeakPolarHBondContact O-CG1 3.16Å; Q1727-I1731 PolarHBondContact O-N 2.81Å; A1728-I1731 PolarHBondContact O-N 2.96Å; I1731-A1734 WeakPolarHBondContact O-CB 3.44Å; I1731-A1734 PolarHBondContact O-N 3.28Å; I1731-I1735 WeakPolarHBondContact O-CG1 3.25Å; I1731-I1735 PolarHBondContact O-N 2.89Å; I1731-L1750 HydrophobicContact CG2-CD2 3.2Å; I1731-L1750 HydrophobicContact CG2-CG 4.41Å; I1731-Q1754 VanDerWaalsContact CG2-CD 3.5Å; I1731-Q1754 HydrophobicContact CG2-CG 3.91Å; I1731-Q1754 VanDerWaalsContact CG2-NE2 3.3Å |
| 1732 | R | 87 | Confident | 84.9 | Confident | 65 Ų | 65 | 40.8 Ų | 40.8 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.3 | -47.5 | 174.4 | -156.8 | -177.3 | -59.1 | 175.8 | -4.4 | 112.4 | A1728 P1729 F1730 A1734 I1735 D1736 D1763 S1767 | A1728-R1732 VanDerWaalsContact O-CB 3.31Å; A1728-R1732 WeakPolarHBondContact O-CB 3.37Å; A1728-R1732 PolarHBondContact O-N 2.72Å; P1729-R1732 PolarHBondContact O-N 2.77Å; F1730-R1732 VanDerWaalsContact C-N 3.28Å; F1730-R1732 PolarHBondContact O-N 2.78Å; R1732-A1734 PolarHBondContact O-N 3.2Å; R1732-I1735 WeakPolarHBondContact O-CB 3.28Å; R1732-I1735 PolarHBondContact O-N 2.91Å; R1732-I1735 VanDerWaalsContact O-N 3.08Å; R1732-D1736 PolarHBondContact O-N 2.84Å; R1732-D1763 IonicContact CZ-OD2 2.71Å; R1732-D1763 VanDerWaalsContact NH1-CG 3.3Å; R1732-D1763 IonicContact NH1-OD2 3.62Å; R1732-D1763 PolarHBondContact NH1-OD2 3.34Å; R1732-D1763 IonicContact NH2-OD2 2.67Å; R1732-D1763 PolarHBondContact NH2-OD2 3.05Å; R1732-S1767 VanDerWaalsContact CG-OG 3.28Å; R1732-S1767 WeakPolarHBondContact CG-OG 3.46Å |
| 1733 | K | 86.2 | Confident | 84.8 | Confident | 63 Ų | 63 | 42 Ų | 42 | 27% | 0.274 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.5 | -32.7 | 174.1 | -168.6 | 168.6 | -178.7 | 173.6 | 0 | 112 | F1521 T1671 P1729 F1730 T1737 | F1521-K1733 HydrophobicContact CE1-CD 4.19Å; F1521-K1733 HydrophobicContact CE1-CG 4.04Å; F1521-K1733 HydrophobicContact CZ-CD 4.4Å; F1521-K1733 HydrophobicContact CZ-CG 4.02Å; F1521-K1733 PolarHBondContact O-NZ 2.9Å; T1671-K1733 HydrophobicContact CG2-CG 4.39Å; P1729-K1733 PolarHBondContact O-N 2.91Å; F1730-K1733 PolarHBondContact O-N 2.9Å; K1733-T1737 WeakPolarHBondContact O-CB 3.44Å; K1733-T1737 VanDerWaalsContact O-CG2 3.32Å; K1733-T1737 WeakPolarHBondContact O-CG2 3.33Å; K1733-T1737 PolarHBondContact O-N 3.47Å; K1733-T1737 PolarHBondContact O-OG1 3.3Å |
| 1734 | A | 87.1 | Confident | 85 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.4 | -39.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1674 L1722 F1730 I1731 R1732 T1737 L1738 | L1674-A1734 HydrophobicContact CD2-CB 3.56Å; L1722-A1734 HydrophobicContact CD2-CB 3.39Å; F1730-A1734 WeakPolarHBondContact O-CB 3.38Å; F1730-A1734 PolarHBondContact O-N 2.89Å; I1731-A1734 WeakPolarHBondContact O-CB 3.44Å; I1731-A1734 PolarHBondContact O-N 3.28Å; R1732-A1734 PolarHBondContact O-N 3.2Å; A1734-T1737 WeakPolarHBondContact CA-OG1 3.2Å; A1734-T1737 PolarHBondContact O-OG1 2.9Å; A1734-L1738 VanDerWaalsContact O-CB 3.3Å; A1734-L1738 WeakPolarHBondContact O-CB 3.3Å; A1734-L1738 VanDerWaalsContact O-CG 3.3Å; A1734-L1738 WeakPolarHBondContact O-CG 3.24Å; A1734-L1738 PolarHBondContact O-N 3.32Å |
| 1735 | I | 89.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -52.8 | 172.5 | -67.7 | 165.1 | 0 | 0 | 0 | 110.4 | I1731 R1732 T1737 L1738 S1739 A1747 L1750 A1751 Q1754 V1771 | I1731-I1735 WeakPolarHBondContact O-CG1 3.25Å; I1731-I1735 PolarHBondContact O-N 2.89Å; R1732-I1735 WeakPolarHBondContact O-CB 3.28Å; R1732-I1735 PolarHBondContact O-N 2.91Å; R1732-I1735 VanDerWaalsContact O-N 3.08Å; I1735-T1737 PolarHBondContact O-N 3.49Å; I1735-L1738 PolarHBondContact O-N 3.29Å; I1735-S1739 WeakPolarHBondContact O-CB 3.23Å; I1735-S1739 PolarHBondContact O-N 2.67Å; I1735-A1747 HydrophobicContact CG2-CB 4.34Å; I1735-L1750 HydrophobicContact CD1-CD2 3.72Å; I1735-L1750 HydrophobicContact CG1-CB 4.43Å; I1735-L1750 HydrophobicContact CG1-CD2 3.53Å; I1735-A1751 HydrophobicContact CD1-CB 3.92Å; I1735-A1751 HydrophobicContact CG1-CB 4.45Å; I1735-A1751 HydrophobicContact CG2-CB 4.23Å; I1735-Q1754 HydrophobicContact CD1-CG 4.5Å; I1735-V1771 HydrophobicContact CG2-CG2 3.24Å |
| 1736 | D | 86.2 | Confident | 85.4 | Confident | 39 Ų | 39 | 42.9 Ų | 42.9 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | -176.1 | -71.5 | -41.6 | 0 | 0 | 0 | 111 | R1732 S1739 D1740 R1770 R1774 | R1732-D1736 PolarHBondContact O-N 2.84Å; D1736-S1739 CarbonylContact O-C 3.4Å; D1736-S1739 PolarHBondContact O-N 3.09Å; D1736-D1740 PolarHBondContact O-N 3.31Å; D1736-R1770 WeakPolarHBondContact OD1-CD 3.37Å; D1736-R1774 PolarHBondContact O-NH1 3.05Å |
| 1737 | T | 83.6 | Confident | 85.9 | Confident | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66 | -42.8 | 176.4 | 47.6 | 0 | 0 | 0 | 0 | 114.1 | F1521 I1675 K1733 A1734 I1735 S1739 D1740 I1741 | F1521-T1737 HydrophobicContact CD1-CG2 4.17Å; F1521-T1737 HydrophobicContact CE1-CG2 3.14Å; F1521-T1737 HydrophobicContact CE2-CG2 4.35Å; F1521-T1737 HydrophobicContact CZ-CG2 3.26Å; I1675-T1737 HydrophobicContact CD1-CG2 3.83Å; I1675-T1737 HydrophobicContact CG1-CG2 4.18Å; K1733-T1737 WeakPolarHBondContact O-CB 3.44Å; K1733-T1737 VanDerWaalsContact O-CG2 3.32Å; K1733-T1737 WeakPolarHBondContact O-CG2 3.33Å; K1733-T1737 PolarHBondContact O-N 3.47Å; K1733-T1737 PolarHBondContact O-OG1 3.3Å; A1734-T1737 WeakPolarHBondContact CA-OG1 3.2Å; A1734-T1737 PolarHBondContact O-OG1 2.9Å; I1735-T1737 PolarHBondContact O-N 3.49Å; T1737-S1739 PolarHBondContact O-N 2.84Å; T1737-D1740 PolarHBondContact O-N 3.15Å; T1737-D1740 VanDerWaalsContact O-N 3.1Å; T1737-I1741 WeakPolarHBondContact O-CB 3.37Å; T1737-I1741 WeakPolarHBondContact O-CD1 3.41Å; T1737-I1741 VanDerWaalsContact O-CG1 3.23Å; T1737-I1741 WeakPolarHBondContact O-CG1 2.94Å; T1737-I1741 PolarHBondContact O-N 3.09Å |
| 1738 | L | 87.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -36.6 | 174 | -78.3 | 179 | 0 | 0 | 0 | 111.2 | A1678 L1719 A1734 I1735 G1742 H1743 R1746 A1747 | A1678-L1738 HydrophobicContact CB-CD2 3.6Å; L1719-L1738 HydrophobicContact CD1-CD1 4.19Å; L1719-L1738 HydrophobicContact CD2-CD1 3.62Å; L1719-L1738 HydrophobicContact CG-CD1 4.48Å; A1734-L1738 VanDerWaalsContact O-CB 3.3Å; A1734-L1738 WeakPolarHBondContact O-CB 3.3Å; A1734-L1738 VanDerWaalsContact O-CG 3.3Å; A1734-L1738 WeakPolarHBondContact O-CG 3.24Å; A1734-L1738 PolarHBondContact O-N 3.32Å; I1735-L1738 PolarHBondContact O-N 3.29Å; L1738-G1742 PolarHBondContact O-N 3.36Å; L1738-G1742 VanDerWaalsContact O-N 3.11Å; L1738-H1743 HydrophobicContact CB-CB 4.4Å; L1738-H1743 HydrophobicContact CD2-CB 4.12Å; L1738-H1743 WeakPolarHBondContact O-CA 3.33Å; L1738-H1743 PolarHBondContact O-N 3.48Å; L1738-R1746 HydrophobicContact CD1-CB 4.18Å; L1738-A1747 HydrophobicContact CB-CB 3.93Å |
| 1739 | S | 86.4 | Confident | 86.6 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -76.6 | -21.6 | 175.5 | -170.5 | 0 | 0 | 0 | 0 | 114.3 | I1735 D1736 T1737 H1744 R1774 | I1735-S1739 WeakPolarHBondContact O-CB 3.23Å; I1735-S1739 PolarHBondContact O-N 2.67Å; D1736-S1739 CarbonylContact O-C 3.4Å; D1736-S1739 PolarHBondContact O-N 3.09Å; T1737-S1739 PolarHBondContact O-N 2.84Å; S1739-H1744 PolarHBondContact O-CE1 3.03Å; S1739-H1744 PolarHBondContact OG-ND1 3.3Å; S1739-R1774 VanDerWaalsContact OG-CB 3.27Å; S1739-R1774 WeakPolarHBondContact OG-CB 2.99Å; S1739-R1774 VanDerWaalsContact OG-CD 3.27Å; S1739-R1774 WeakPolarHBondContact OG-CD 3.45Å |
| 1740 | D | 82.3 | Confident | 86.8 | Confident | 102 Ų | 102 | 35.1 Ų | 35.1 | 55% | 0.545 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -82.9 | -25.2 | 171 | -79.4 | -50.9 | 0 | 0 | 0 | 112.4 | D1736 T1737 G1742 R1774 | D1736-D1740 PolarHBondContact O-N 3.31Å; T1737-D1740 PolarHBondContact O-N 3.15Å; T1737-D1740 VanDerWaalsContact O-N 3.1Å; D1740-G1742 VanDerWaalsContact C-N 3.28Å; D1740-R1774 VanDerWaalsContact CG-CZ 3.47Å; D1740-R1774 VanDerWaalsContact CG-NH2 3.3Å; D1740-R1774 IonicContact OD1-CZ 3.52Å; D1740-R1774 IonicContact OD1-NE 2.68Å; D1740-R1774 IonicContact OD1-NH1 2.7Å; D1740-R1774 PolarHBondContact OD1-NH1 3.12Å; D1740-R1774 IonicContact OD1-NH2 3.1Å; D1740-R1774 PolarHBondContact OD1-NH2 3.22Å; D1740-R1774 IonicContact OD2-CZ 2.8Å; D1740-R1774 VanDerWaalsContact OD2-CZ 3.23Å; D1740-R1774 IonicContact OD2-NH1 3.39Å; D1740-R1774 PolarHBondContact OD2-NH1 3.23Å; D1740-R1774 IonicContact OD2-NH2 3.12Å; D1740-R1774 PolarHBondContact OD2-NH2 2.65Å |
| 1741 | I | 81 | Confident | 87 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -9.5 | 169.2 | -60.8 | 161.3 | 0 | 0 | 0 | 111 | I1675 A1678 K1679 E1682 T1737 | I1675-I1741 HydrophobicContact CG2-CD1 4.44Å; A1678-I1741 HydrophobicContact CB-CD1 4Å; K1679-I1741 HydrophobicContact CG-CD1 4.09Å; K1679-I1741 HydrophobicContact CG-CG1 4.31Å; K1679-I1741 HydrophobicContact CG-CG2 4.38Å; E1682-I1741 HydrophobicContact CB-CG2 4.15Å; E1682-I1741 HydrophobicContact CG-CG2 4.39Å; T1737-I1741 WeakPolarHBondContact O-CB 3.37Å; T1737-I1741 WeakPolarHBondContact O-CD1 3.41Å; T1737-I1741 VanDerWaalsContact O-CG1 3.23Å; T1737-I1741 WeakPolarHBondContact O-CG1 2.94Å; T1737-I1741 PolarHBondContact O-N 3.09Å |
| 1742 | G | 81.3 | Confident | 87.2 | Confident | 39 Ų | 39 | 39.6 Ų | 39.6 | 40% | 0.402 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 6.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1738 D1740 H1744 | L1738-G1742 PolarHBondContact O-N 3.36Å; L1738-G1742 VanDerWaalsContact O-N 3.11Å; D1740-G1742 VanDerWaalsContact C-N 3.28Å; G1742-H1744 PolarHBondContact O-CD2 2.87Å; G1742-H1744 VanDerWaalsContact O-CD2 3.23Å; G1742-H1744 PolarHBondContact O-N 2.84Å |
| 1743 | H | 84.6 | Confident | 87.3 | Confident | 25 Ų | 25 | 42 Ų | 42 | 12% | 0.116 | 21% | 0.207 | C | C | . | . | trans | -78.4 | 50.3 | 172 | -70.1 | -67.6 | 0 | 0 | 0 | 111.8 | A1678 L1738 T1745 R1746 A1747 | A1678-H1743 PolarHBondContact O-NE2 3.45Å; L1738-H1743 HydrophobicContact CB-CB 4.4Å; L1738-H1743 HydrophobicContact CD2-CB 4.12Å; L1738-H1743 WeakPolarHBondContact O-CA 3.33Å; L1738-H1743 PolarHBondContact O-N 3.48Å; H1743-T1745 PolarHBondContact O-N 3.17Å; H1743-T1745 VanDerWaalsContact O-N 3.12Å; H1743-R1746 PolarHBondContact O-N 2.68Å; H1743-R1746 VanDerWaalsContact O-N 3.11Å; H1743-A1747 PolarHBondContact O-N 2.93Å; H1743-A1747 VanDerWaalsContact O-N 3.09Å | ||
| 1744 | H | 88.7 | Confident | 87.3 | Confident | 55 Ų | 55 | 39.4 Ų | 39.4 | 26% | 0.255 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.3 | -32.9 | -171.1 | -57.2 | -68.5 | 0 | 0 | 0 | 114 | S1739 G1742 A1747 E1748 R1774 A1775 | S1739-H1744 PolarHBondContact O-CE1 3.03Å; S1739-H1744 PolarHBondContact OG-ND1 3.3Å; G1742-H1744 PolarHBondContact O-CD2 2.87Å; G1742-H1744 VanDerWaalsContact O-CD2 3.23Å; G1742-H1744 PolarHBondContact O-N 2.84Å; H1744-A1747 PolarHBondContact O-N 3.12Å; H1744-E1748 WeakPolarHBondContact O-CB 3.35Å; H1744-E1748 PolarHBondContact O-N 3.35Å; H1744-R1774 PolarHBondContact CE1-O 3.4Å; H1744-A1775 HydrophobicContact CB-CB 3.76Å |
| 1745 | T | 88.6 | Confident | 87.5 | Confident | 112 Ų | 112 | 40 Ų | 40 | 69% | 0.687 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -65.9 | -42.4 | 178.9 | 50 | 0 | 0 | 0 | 0 | 112.5 | H1743 E1748 E1749 | H1743-T1745 PolarHBondContact O-N 3.17Å; H1743-T1745 VanDerWaalsContact O-N 3.12Å; T1745-E1748 PolarHBondContact O-N 3.35Å; T1745-E1749 WeakPolarHBondContact O-CB 3.34Å; T1745-E1749 PolarHBondContact O-N 3.29Å |
| 1746 | R | 88.1 | Confident | 87.4 | Confident | 48 Ų | 48 | 48.9 Ų | 48.9 | 18% | 0.181 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.5 | -37.9 | 176.7 | -63.1 | -177 | -174.2 | -145.6 | -7.8 | 111.5 | S1712 S1716 L1719 L1738 H1743 E1748 L1750 | S1712-R1746 PolarHBondContact O-NH1 2.69Å; S1712-R1746 PolarHBondContact OG-NH2 3.5Å; S1716-R1746 PolarHBondContact OG-NH1 3.2Å; L1719-R1746 HydrophobicContact CD1-CB 4.36Å; L1738-R1746 HydrophobicContact CD1-CB 4.18Å; H1743-R1746 PolarHBondContact O-N 2.68Å; H1743-R1746 VanDerWaalsContact O-N 3.11Å; R1746-E1748 VanDerWaalsContact C-N 3.35Å; R1746-L1750 WeakPolarHBondContact O-CB 3.19Å; R1746-L1750 PolarHBondContact O-N 3.02Å |
| 1747 | A | 90.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1735 L1738 H1743 H1744 A1751 V1771 | I1735-A1747 HydrophobicContact CG2-CB 4.34Å; L1738-A1747 HydrophobicContact CB-CB 3.93Å; H1743-A1747 PolarHBondContact O-N 2.93Å; H1743-A1747 VanDerWaalsContact O-N 3.09Å; H1744-A1747 PolarHBondContact O-N 3.12Å; A1747-A1751 VanDerWaalsContact O-CB 3.27Å; A1747-A1751 WeakPolarHBondContact O-CB 3.35Å; A1747-A1751 PolarHBondContact O-N 3.19Å; A1747-V1771 HydrophobicContact CB-CG1 3.77Å; A1747-V1771 HydrophobicContact CB-CG2 3.91Å |
| 1748 | E | 91.3 | Very high | 87.4 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.1 | -43.9 | 178.6 | -169.1 | -174.8 | 162.6 | 0 | 0 | 111 | H1744 T1745 R1746 L1750 A1751 R1752 L1768 V1771 R1772 | H1744-E1748 WeakPolarHBondContact O-CB 3.35Å; H1744-E1748 PolarHBondContact O-N 3.35Å; T1745-E1748 PolarHBondContact O-N 3.35Å; R1746-E1748 VanDerWaalsContact C-N 3.35Å; E1748-L1750 VanDerWaalsContact C-N 3.31Å; E1748-L1750 PolarHBondContact O-N 3.3Å; E1748-A1751 PolarHBondContact O-N 2.62Å; E1748-R1752 HydrophobicContact CG-CG 4.28Å; E1748-R1752 WeakPolarHBondContact O-CB 3.48Å; E1748-R1752 VanDerWaalsContact O-CG 3.3Å; E1748-R1752 WeakPolarHBondContact O-CG 3.31Å; E1748-R1752 PolarHBondContact O-N 3Å; E1748-R1752 IonicContact OE1-CZ 2.81Å; E1748-R1752 IonicContact OE1-NE 3.54Å; E1748-R1752 PolarHBondContact OE1-NE 2.7Å; E1748-R1752 IonicContact OE1-NH2 2.74Å; E1748-R1752 PolarHBondContact OE1-NH2 3.44Å; E1748-L1768 HydrophobicContact CG-CD1 3.69Å; E1748-V1771 HydrophobicContact CB-CG1 3.94Å; E1748-R1772 HydrophobicContact CG-CG 4.22Å; E1748-R1772 IonicContact OE1-CZ 3.72Å; E1748-R1772 VanDerWaalsContact OE1-CZ 3.31Å; E1748-R1772 IonicContact OE1-NE 3.72Å; E1748-R1772 PolarHBondContact OE1-NE 2.93Å; E1748-R1772 IonicContact OE1-NH2 2.7Å; E1748-R1772 PolarHBondContact OE1-NH2 3.37Å |
| 1749 | E | 89.6 | Confident | 87.4 | Confident | 100 Ų | 100 | 55.9 Ų | 55.9 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 177 | -166.5 | -166.5 | 165.4 | 0 | 0 | 111 | T1745 R1752 R1753 | T1745-E1749 WeakPolarHBondContact O-CB 3.34Å; T1745-E1749 PolarHBondContact O-N 3.29Å; E1749-R1752 PolarHBondContact O-N 3.23Å; E1749-R1753 WeakPolarHBondContact O-CG 3.49Å; E1749-R1753 PolarHBondContact O-N 2.95Å; E1749-R1753 IonicContact OE1-CZ 3.6Å; E1749-R1753 IonicContact OE1-NE 3.75Å; E1749-R1753 PolarHBondContact OE1-NE 3.4Å; E1749-R1753 IonicContact OE1-NH2 2.7Å; E1749-R1753 PolarHBondContact OE1-NH2 2.95Å |
| 1750 | L | 88.6 | Confident | 87.5 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 178.8 | -162.5 | 155.9 | 0 | 0 | 0 | 111.6 | L1719 L1723 I1731 I1735 R1746 E1748 R1752 R1753 Q1754 | L1719-L1750 HydrophobicContact CB-CD1 4.37Å; L1719-L1750 HydrophobicContact CD2-CD1 3.38Å; L1719-L1750 HydrophobicContact CG-CD1 4.42Å; L1723-L1750 HydrophobicContact CD1-CD1 4.25Å; L1723-L1750 HydrophobicContact CD1-CG 4.31Å; L1723-L1750 HydrophobicContact CD2-CD1 4.37Å; L1723-L1750 HydrophobicContact CD2-CD2 4.19Å; L1723-L1750 HydrophobicContact CD2-CG 4.08Å; L1723-L1750 HydrophobicContact CG-CD1 4.15Å; L1723-L1750 HydrophobicContact CG-CG 4.33Å; I1731-L1750 HydrophobicContact CG2-CD2 3.2Å; I1731-L1750 HydrophobicContact CG2-CG 4.41Å; I1735-L1750 HydrophobicContact CD1-CD2 3.72Å; I1735-L1750 HydrophobicContact CG1-CB 4.43Å; I1735-L1750 HydrophobicContact CG1-CD2 3.53Å; R1746-L1750 WeakPolarHBondContact O-CB 3.19Å; R1746-L1750 PolarHBondContact O-N 3.02Å; E1748-L1750 VanDerWaalsContact C-N 3.31Å; E1748-L1750 PolarHBondContact O-N 3.3Å; L1750-R1752 PolarHBondContact O-N 2.81Å; L1750-R1753 WeakPolarHBondContact O-CB 3.38Å; L1750-R1753 PolarHBondContact O-N 3.17Å; L1750-R1753 VanDerWaalsContact O-N 3.15Å; L1750-Q1754 HydrophobicContact CD2-CG 4.24Å; L1750-Q1754 PolarHBondContact O-N 2.76Å |
| 1751 | A | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1735 A1747 E1748 R1753 Q1754 V1755 L1768 | I1735-A1751 HydrophobicContact CD1-CB 3.92Å; I1735-A1751 HydrophobicContact CG1-CB 4.45Å; I1735-A1751 HydrophobicContact CG2-CB 4.23Å; A1747-A1751 VanDerWaalsContact O-CB 3.27Å; A1747-A1751 WeakPolarHBondContact O-CB 3.35Å; A1747-A1751 PolarHBondContact O-N 3.19Å; E1748-A1751 PolarHBondContact O-N 2.62Å; A1751-R1753 VanDerWaalsContact C-N 3.31Å; A1751-R1753 PolarHBondContact O-N 3.26Å; A1751-Q1754 PolarHBondContact O-N 2.89Å; A1751-V1755 WeakPolarHBondContact O-CG2 3.38Å; A1751-V1755 PolarHBondContact O-N 2.89Å; A1751-L1768 HydrophobicContact CB-CB 3.99Å; A1751-L1768 HydrophobicContact CB-CD1 4.02Å |
| 1752 | R | 91.6 | Very high | 88.3 | Confident | 129 Ų | 129 | 57.5 Ų | 57.5 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 171.5 | -74.3 | 179.7 | -173.9 | -147.2 | 12.7 | 111.5 | E1748 E1749 L1750 V1755 K1756 L1768 R1772 | E1748-R1752 HydrophobicContact CG-CG 4.28Å; E1748-R1752 WeakPolarHBondContact O-CB 3.48Å; E1748-R1752 VanDerWaalsContact O-CG 3.3Å; E1748-R1752 WeakPolarHBondContact O-CG 3.31Å; E1748-R1752 PolarHBondContact O-N 3Å; E1748-R1752 IonicContact OE1-CZ 2.81Å; E1748-R1752 IonicContact OE1-NE 3.54Å; E1748-R1752 PolarHBondContact OE1-NE 2.7Å; E1748-R1752 IonicContact OE1-NH2 2.74Å; E1748-R1752 PolarHBondContact OE1-NH2 3.44Å; E1749-R1752 PolarHBondContact O-N 3.23Å; L1750-R1752 PolarHBondContact O-N 2.81Å; R1752-V1755 PolarHBondContact O-N 3.29Å; R1752-K1756 VanDerWaalsContact O-CB 3.3Å; R1752-K1756 WeakPolarHBondContact O-CB 3.41Å; R1752-K1756 PolarHBondContact O-N 2.98Å; R1752-L1768 HydrophobicContact CG-CD1 3.79Å; R1752-L1768 HydrophobicContact CG-CD2 4.39Å; R1752-R1772 VanDerWaalsContact NH2-NH2 3.11Å |
| 1753 | R | 88.4 | Confident | 88.7 | Confident | 117 Ų | 117 | 58 Ų | 58 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 174.8 | -70.9 | 171.9 | -176 | -150 | 4.3 | 111.5 | E1749 L1750 A1751 K1756 S1757 | E1749-R1753 WeakPolarHBondContact O-CG 3.49Å; E1749-R1753 PolarHBondContact O-N 2.95Å; E1749-R1753 IonicContact OE1-CZ 3.6Å; E1749-R1753 IonicContact OE1-NE 3.75Å; E1749-R1753 PolarHBondContact OE1-NE 3.4Å; E1749-R1753 IonicContact OE1-NH2 2.7Å; E1749-R1753 PolarHBondContact OE1-NH2 2.95Å; L1750-R1753 WeakPolarHBondContact O-CB 3.38Å; L1750-R1753 PolarHBondContact O-N 3.17Å; L1750-R1753 VanDerWaalsContact O-N 3.15Å; A1751-R1753 VanDerWaalsContact C-N 3.31Å; A1751-R1753 PolarHBondContact O-N 3.26Å; R1753-K1756 PolarHBondContact O-N 2.99Å; R1753-S1757 PolarHBondContact O-N 3.05Å; R1753-S1757 PolarHBondContact O-OG 3.33Å |
| 1754 | Q | 87.5 | Confident | 89 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 174.2 | -71.7 | -160.1 | -59.4 | 0 | 0 | 113.1 | I1731 I1735 L1750 A1751 K1756 S1757 C1758 H1764 | I1731-Q1754 VanDerWaalsContact CG2-CD 3.5Å; I1731-Q1754 HydrophobicContact CG2-CG 3.91Å; I1731-Q1754 VanDerWaalsContact CG2-NE2 3.3Å; I1735-Q1754 HydrophobicContact CD1-CG 4.5Å; L1750-Q1754 HydrophobicContact CD2-CG 4.24Å; L1750-Q1754 PolarHBondContact O-N 2.76Å; A1751-Q1754 PolarHBondContact O-N 2.89Å; Q1754-K1756 VanDerWaalsContact C-N 3.3Å; Q1754-K1756 PolarHBondContact O-N 2.6Å; Q1754-S1757 PolarHBondContact O-N 2.8Å; Q1754-S1757 PolarHBondContact O-OG 3.21Å; Q1754-S1757 VanDerWaalsContact O-OG 3.1Å; Q1754-C1758 PolarHBondContact O-N 2.88Å; Q1754-H1764 HydrophobicContact CB-CB 4.15Å; Q1754-H1764 PolarHBondContact NE2-CD2 2.8Å; Q1754-H1764 PolarHBondContact NE2-NE2 3.47Å; Q1754-H1764 VanDerWaalsContact NE2-NE2 3.13Å; Q1754-H1764 PolarHBondContact OE1-CD2 3.47Å; Q1754-H1764 VanDerWaalsContact OE1-CD2 3.28Å |
| 1755 | V | 90.4 | Very high | 89.3 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 174.8 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | A1751 R1752 C1758 P1759 H1764 W1765 L1768 | A1751-V1755 WeakPolarHBondContact O-CG2 3.38Å; A1751-V1755 PolarHBondContact O-N 2.89Å; R1752-V1755 PolarHBondContact O-N 3.29Å; V1755-C1758 CarbonylContact O-C 3.52Å; V1755-P1759 WeakPolarHBondContact O-CA 3.33Å; V1755-P1759 WeakPolarHBondContact O-CB 3.41Å; V1755-P1759 WeakPolarHBondContact O-CD 3.02Å; V1755-P1759 VanDerWaalsContact O-N 3.11Å; V1755-H1764 HydrophobicContact CG2-CB 3.89Å; V1755-H1764 WeakPolarHBondContact CG2-O 3.43Å; V1755-W1765 HydrophobicContact CG1-CD2 3.86Å; V1755-W1765 HydrophobicContact CG1-CE3 3.94Å; V1755-W1765 HydrophobicContact CG1-CH2 3.55Å; V1755-W1765 HydrophobicContact CG1-CZ2 3.44Å; V1755-W1765 VanDerWaalsContact CG1-CZ2 3.44Å; V1755-W1765 HydrophobicContact CG1-CZ3 3.8Å; V1755-W1765 HydrophobicContact CG2-CD2 4.11Å; V1755-W1765 HydrophobicContact CG2-CE3 4.25Å; V1755-W1765 HydrophobicContact CG2-CG 4.36Å; V1755-L1768 HydrophobicContact CB-CD2 4.42Å; V1755-L1768 HydrophobicContact CG2-CB 4.14Å; V1755-L1768 HydrophobicContact CG2-CD2 3.99Å |
| 1756 | K | 88.4 | Confident | 89.5 | Confident | 186 Ų | 186 | 51 Ų | 51 | 81% | 0.809 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -71.7 | -33.8 | 176.9 | -169.3 | 178.2 | -179.4 | -175.6 | 0 | 112.9 | R1752 R1753 Q1754 | R1752-K1756 VanDerWaalsContact O-CB 3.3Å; R1752-K1756 WeakPolarHBondContact O-CB 3.41Å; R1752-K1756 PolarHBondContact O-N 2.98Å; R1753-K1756 PolarHBondContact O-N 2.99Å; Q1754-K1756 VanDerWaalsContact C-N 3.3Å; Q1754-K1756 PolarHBondContact O-N 2.6Å |
| 1757 | S | 84.4 | Confident | 89.7 | Confident | 82 Ų | 82 | 49 Ų | 49 | 57% | 0.573 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -80.3 | -34.7 | 176.4 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | R1753 Q1754 | R1753-S1757 PolarHBondContact O-N 3.05Å; R1753-S1757 PolarHBondContact O-OG 3.33Å; Q1754-S1757 PolarHBondContact O-N 2.8Å; Q1754-S1757 PolarHBondContact O-OG 3.21Å; Q1754-S1757 VanDerWaalsContact O-OG 3.1Å |
| 1758 | C | 85.1 | Confident | 89.8 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 43% | 0.426 | 25% | 0.245 | S | C | . | . | trans | -137.4 | 70.1 | -176.6 | -76.5 | 0 | 0 | 0 | 0 | 111.7 | Q1754 V1755 N1760 D1761 | Q1754-C1758 PolarHBondContact O-N 2.88Å; V1755-C1758 CarbonylContact O-C 3.52Å; C1758-N1760 PolarHBondContact O-N 2.97Å; C1758-N1760 VanDerWaalsContact O-N 3.16Å; C1758-D1761 HydrophobicContact CB-CB 4.47Å; C1758-D1761 PolarHBondContact O-N 3.17Å | ||
| 1759 | P | 87.9 | Confident | 90 | Very high | 49 Ų | 49 | 48.3 Ų | 48.3 | 32% | 0.318 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -12.6 | -177 | 27.4 | -35.8 | 0 | 0 | 0 | 114.2 | V1755 W1765 | V1755-P1759 WeakPolarHBondContact O-CA 3.33Å; V1755-P1759 WeakPolarHBondContact O-CB 3.41Å; V1755-P1759 WeakPolarHBondContact O-CD 3.02Å; V1755-P1759 VanDerWaalsContact O-N 3.11Å; P1759-W1765 PolarHBondContact O-NE1 3.45Å |
| 1760 | N | 87.3 | Confident | 90.1 | Very high | 103 Ų | 103 | 45.8 Ų | 45.8 | 55% | 0.551 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.7 | 176.5 | -70.5 | -42.2 | 0 | 0 | 0 | 113.7 | C1758 L1792 | C1758-N1760 PolarHBondContact O-N 2.97Å; C1758-N1760 VanDerWaalsContact O-N 3.16Å; N1760-L1792 VanDerWaalsContact O-CD2 3.28Å; N1760-L1792 WeakPolarHBondContact O-CD2 3.43Å |
| 1761 | D | 89 | Confident | 90.3 | Very high | 49 Ų | 49 | 45.6 Ų | 45.6 | 26% | 0.262 | 23% | 0.225 | S | C | . | . | trans | -88.5 | 118.3 | 178.9 | -174.6 | -8.6 | 0 | 0 | 0 | 110.7 | C1758 D1763 H1764 W1765 | C1758-D1761 HydrophobicContact CB-CB 4.47Å; C1758-D1761 PolarHBondContact O-N 3.17Å; D1761-D1763 VanDerWaalsContact C-N 3.26Å; D1761-D1763 PolarHBondContact O-N 3.5Å; D1761-D1763 WeakPolarHBondContact OD1-CB 3.47Å; D1761-D1763 PolarHBondContact OD1-N 3.22Å; D1761-H1764 HydrophobicContact CB-CB 4.4Å; D1761-H1764 WeakPolarHBondContact CB-ND1 3.18Å; D1761-H1764 PolarHBondContact O-N 2.74Å; D1761-H1764 IonicContact OD2-CD2 2.77Å; D1761-H1764 IonicContact OD2-CE1 3.98Å; D1761-H1764 PolarHBondContact OD2-CE1 3.15Å; D1761-H1764 IonicContact OD2-CG 3.16Å; D1761-H1764 IonicContact OD2-ND1 3.25Å; D1761-H1764 PolarHBondContact OD2-ND1 2.76Å; D1761-H1764 IonicContact OD2-NE2 3.97Å; D1761-W1765 VanDerWaalsContact O-CD1 3.27Å | ||
| 1762 | V | 91.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.7 | -39.5 | 177.2 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | W1765 L1766 L1792 L1796 Q1799 L1800 | V1762-W1765 WeakPolarHBondContact O-CB 3.28Å; V1762-W1765 PolarHBondContact O-N 2.86Å; V1762-L1766 HydrophobicContact CG1-CD1 4.03Å; V1762-L1766 HydrophobicContact CG1-CG 4.23Å; V1762-L1766 WeakPolarHBondContact O-CG 3.46Å; V1762-L1766 PolarHBondContact O-N 2.94Å; V1762-L1792 HydrophobicContact CG2-CD1 4.18Å; V1762-L1792 HydrophobicContact CG2-CD2 4.26Å; V1762-L1796 HydrophobicContact CG2-CB 3.85Å; V1762-L1796 HydrophobicContact CG2-CD1 4.23Å; V1762-L1796 HydrophobicContact CG2-CD2 4.24Å; V1762-L1796 HydrophobicContact CG2-CG 4.33Å; V1762-Q1799 HydrophobicContact CG1-CG 4.18Å; V1762-L1800 HydrophobicContact CG1-CB 3.94Å; V1762-L1800 HydrophobicContact CG1-CD1 4.2Å |
| 1763 | D | 90.3 | Very high | 90.4 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -72.8 | -34.1 | -172.1 | -71.1 | -16.4 | 0 | 0 | 0 | 112.4 | R1732 D1761 W1765 L1766 S1767 | R1732-D1763 IonicContact CZ-OD2 2.71Å; R1732-D1763 VanDerWaalsContact NH1-CG 3.3Å; R1732-D1763 IonicContact NH1-OD2 3.62Å; R1732-D1763 PolarHBondContact NH1-OD2 3.34Å; R1732-D1763 IonicContact NH2-OD2 2.67Å; R1732-D1763 PolarHBondContact NH2-OD2 3.05Å; D1761-D1763 VanDerWaalsContact C-N 3.26Å; D1761-D1763 PolarHBondContact O-N 3.5Å; D1761-D1763 WeakPolarHBondContact OD1-CB 3.47Å; D1761-D1763 PolarHBondContact OD1-N 3.22Å; D1763-W1765 VanDerWaalsContact C-N 3.3Å; D1763-W1765 PolarHBondContact O-N 3.47Å; D1763-L1766 PolarHBondContact O-N 3.48Å; D1763-S1767 PolarHBondContact O-N 3.12Å |
| 1764 | H | 91.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 173.7 | -66 | 151.6 | 0 | 0 | 0 | 111.3 | Q1754 V1755 D1761 S1767 L1768 | Q1754-H1764 HydrophobicContact CB-CB 4.15Å; Q1754-H1764 PolarHBondContact NE2-CD2 2.8Å; Q1754-H1764 PolarHBondContact NE2-NE2 3.47Å; Q1754-H1764 VanDerWaalsContact NE2-NE2 3.13Å; Q1754-H1764 PolarHBondContact OE1-CD2 3.47Å; Q1754-H1764 VanDerWaalsContact OE1-CD2 3.28Å; V1755-H1764 HydrophobicContact CG2-CB 3.89Å; V1755-H1764 WeakPolarHBondContact CG2-O 3.43Å; D1761-H1764 HydrophobicContact CB-CB 4.4Å; D1761-H1764 WeakPolarHBondContact CB-ND1 3.18Å; D1761-H1764 PolarHBondContact O-N 2.74Å; D1761-H1764 IonicContact OD2-CD2 2.77Å; D1761-H1764 IonicContact OD2-CE1 3.98Å; D1761-H1764 PolarHBondContact OD2-CE1 3.15Å; D1761-H1764 IonicContact OD2-CG 3.16Å; D1761-H1764 IonicContact OD2-ND1 3.25Å; D1761-H1764 PolarHBondContact OD2-ND1 2.76Å; D1761-H1764 IonicContact OD2-NE2 3.97Å; H1764-S1767 PolarHBondContact O-N 2.85Å; H1764-L1768 PolarHBondContact O-N 3.11Å |
| 1765 | W | 94.2 | Very high | 90.5 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 6% | 0.057 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 171 | -72.5 | 107.9 | 0 | 0 | 0 | 111.9 | V1755 P1759 D1761 V1762 D1763 S1767 L1768 I1769 N1787 S1788 L1791 L1800 | V1755-W1765 HydrophobicContact CG1-CD2 3.86Å; V1755-W1765 HydrophobicContact CG1-CE3 3.94Å; V1755-W1765 HydrophobicContact CG1-CH2 3.55Å; V1755-W1765 HydrophobicContact CG1-CZ2 3.44Å; V1755-W1765 VanDerWaalsContact CG1-CZ2 3.44Å; V1755-W1765 HydrophobicContact CG1-CZ3 3.8Å; V1755-W1765 HydrophobicContact CG2-CD2 4.11Å; V1755-W1765 HydrophobicContact CG2-CE3 4.25Å; V1755-W1765 HydrophobicContact CG2-CG 4.36Å; P1759-W1765 PolarHBondContact O-NE1 3.45Å; D1761-W1765 VanDerWaalsContact O-CD1 3.27Å; V1762-W1765 WeakPolarHBondContact O-CB 3.28Å; V1762-W1765 PolarHBondContact O-N 2.86Å; D1763-W1765 VanDerWaalsContact C-N 3.3Å; D1763-W1765 PolarHBondContact O-N 3.47Å; W1765-S1767 VanDerWaalsContact C-N 3.33Å; W1765-S1767 PolarHBondContact O-N 2.78Å; W1765-L1768 HydrophobicContact CE3-CD2 4.22Å; W1765-L1768 HydrophobicContact CZ3-CD2 4.25Å; W1765-L1768 PolarHBondContact O-N 3.48Å; W1765-I1769 HydrophobicContact CB-CD1 4.39Å; W1765-I1769 WeakPolarHBondContact O-CB 3.35Å; W1765-I1769 VanDerWaalsContact O-CD1 3.3Å; W1765-I1769 WeakPolarHBondContact O-CD1 3.19Å; W1765-I1769 WeakPolarHBondContact O-CG1 3.09Å; W1765-I1769 PolarHBondContact O-N 2.72Å; W1765-N1787 HydrophobicContact CH2-CB 3.91Å; W1765-N1787 HydrophobicContact CZ3-CB 4.04Å; W1765-S1788 VanDerWaalsContact CG-CB 3.42Å; W1765-L1791 HydrophobicContact CH2-CD1 4.06Å; W1765-L1791 HydrophobicContact CZ2-CD1 3.7Å; W1765-L1800 HydrophobicContact CB-CD1 4.44Å |
| 1766 | L | 93.1 | Very high | 90.3 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 177.3 | -68.5 | 177.3 | 0 | 0 | 0 | 112.3 | V1762 D1763 I1769 R1770 L1800 V1804 I1807 | V1762-L1766 HydrophobicContact CG1-CD1 4.03Å; V1762-L1766 HydrophobicContact CG1-CG 4.23Å; V1762-L1766 WeakPolarHBondContact O-CG 3.46Å; V1762-L1766 PolarHBondContact O-N 2.94Å; D1763-L1766 PolarHBondContact O-N 3.48Å; L1766-I1769 PolarHBondContact O-N 2.79Å; L1766-R1770 WeakPolarHBondContact O-CB 3.39Å; L1766-R1770 PolarHBondContact O-N 3.23Å; L1766-L1800 HydrophobicContact CD2-CD1 4.28Å; L1766-V1804 HydrophobicContact CD2-CG2 3.84Å; L1766-I1807 HydrophobicContact CB-CD1 4.28Å; L1766-I1807 HydrophobicContact CD2-CD1 3.98Å; L1766-I1807 WeakPolarHBondContact O-CD1 3.45Å |
| 1767 | S | 91.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 172.6 | -74 | 0 | 0 | 0 | 0 | 112.3 | R1732 D1763 H1764 W1765 I1769 R1770 V1771 | R1732-S1767 VanDerWaalsContact CG-OG 3.28Å; R1732-S1767 WeakPolarHBondContact CG-OG 3.46Å; D1763-S1767 PolarHBondContact O-N 3.12Å; H1764-S1767 PolarHBondContact O-N 2.85Å; W1765-S1767 VanDerWaalsContact C-N 3.33Å; W1765-S1767 PolarHBondContact O-N 2.78Å; S1767-I1769 VanDerWaalsContact C-N 3.32Å; S1767-I1769 PolarHBondContact O-N 3.37Å; S1767-R1770 PolarHBondContact O-N 2.81Å; S1767-V1771 WeakPolarHBondContact O-CG2 3.32Å; S1767-V1771 PolarHBondContact O-N 3.11Å |
| 1768 | L | 93.4 | Very high | 90.7 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 175.3 | 178.2 | 59 | 0 | 0 | 0 | 112.1 | E1748 A1751 R1752 V1755 H1764 W1765 R1772 A1784 | E1748-L1768 HydrophobicContact CG-CD1 3.69Å; A1751-L1768 HydrophobicContact CB-CB 3.99Å; A1751-L1768 HydrophobicContact CB-CD1 4.02Å; R1752-L1768 HydrophobicContact CG-CD1 3.79Å; R1752-L1768 HydrophobicContact CG-CD2 4.39Å; V1755-L1768 HydrophobicContact CB-CD2 4.42Å; V1755-L1768 HydrophobicContact CG2-CB 4.14Å; V1755-L1768 HydrophobicContact CG2-CD2 3.99Å; H1764-L1768 PolarHBondContact O-N 3.11Å; W1765-L1768 HydrophobicContact CE3-CD2 4.22Å; W1765-L1768 HydrophobicContact CZ3-CD2 4.25Å; W1765-L1768 PolarHBondContact O-N 3.48Å; L1768-R1772 HydrophobicContact CD1-CG 4.35Å; L1768-R1772 WeakPolarHBondContact O-CB 3.45Å; L1768-R1772 WeakPolarHBondContact O-CG 3.42Å; L1768-R1772 PolarHBondContact O-N 2.93Å; L1768-A1784 HydrophobicContact CD2-CB 4.3Å; L1768-A1784 HydrophobicContact CG-CB 4.37Å |
| 1769 | I | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.3 | -46.4 | 177.8 | -66 | 159.8 | 0 | 0 | 0 | 110.1 | W1765 L1766 S1767 V1771 R1772 F1773 A1784 Q1785 V1804 I1807 | W1765-I1769 HydrophobicContact CB-CD1 4.39Å; W1765-I1769 WeakPolarHBondContact O-CB 3.35Å; W1765-I1769 VanDerWaalsContact O-CD1 3.3Å; W1765-I1769 WeakPolarHBondContact O-CD1 3.19Å; W1765-I1769 WeakPolarHBondContact O-CG1 3.09Å; W1765-I1769 PolarHBondContact O-N 2.72Å; L1766-I1769 PolarHBondContact O-N 2.79Å; S1767-I1769 VanDerWaalsContact C-N 3.32Å; S1767-I1769 PolarHBondContact O-N 3.37Å; I1769-V1771 PolarHBondContact O-N 2.93Å; I1769-R1772 PolarHBondContact O-N 2.83Å; I1769-F1773 HydrophobicContact CG2-CD2 3.86Å; I1769-F1773 HydrophobicContact CG2-CE2 3.93Å; I1769-F1773 WeakPolarHBondContact O-CD2 3.42Å; I1769-F1773 PolarHBondContact O-N 3.16Å; I1769-A1784 HydrophobicContact CG1-CB 3.76Å; I1769-Q1785 HydrophobicContact CD1-CB 4.38Å; I1769-Q1785 HydrophobicContact CD1-CG 3.74Å; I1769-Q1785 HydrophobicContact CG1-CG 4.1Å; I1769-Q1785 HydrophobicContact CG2-CG 3.97Å; I1769-V1804 HydrophobicContact CD1-CG2 4.03Å; I1769-I1807 HydrophobicContact CB-CD1 4.31Å; I1769-I1807 HydrophobicContact CG2-CD1 4.07Å; I1769-I1807 HydrophobicContact CG2-CG2 4.25Å |
| 1770 | R | 93 | Very high | 91 | Very high | 48 Ų | 48 | 38.1 Ų | 38.1 | 18% | 0.181 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58 | -45 | 177 | 178 | 176 | -74.5 | -78.9 | -6.6 | 112.2 | D1736 L1766 S1767 F1773 R1774 I1807 E1810 | D1736-R1770 WeakPolarHBondContact OD1-CD 3.37Å; L1766-R1770 WeakPolarHBondContact O-CB 3.39Å; L1766-R1770 PolarHBondContact O-N 3.23Å; S1767-R1770 PolarHBondContact O-N 2.81Å; R1770-F1773 PolarHBondContact O-N 2.81Å; R1770-R1774 WeakPolarHBondContact O-CB 3.45Å; R1770-R1774 WeakPolarHBondContact O-CG 3.35Å; R1770-R1774 PolarHBondContact O-N 2.82Å; R1770-I1807 HydrophobicContact CB-CD1 3.99Å; R1770-I1807 HydrophobicContact CB-CG1 4.3Å; R1770-E1810 IonicContact CZ-OE1 3.15Å; R1770-E1810 IonicContact CZ-OE2 3.94Å; R1770-E1810 IonicContact NH1-OE1 2.79Å; R1770-E1810 IonicContact NH1-OE2 3.89Å; R1770-E1810 PolarHBondContact NH1-OE2 2.81Å; R1770-E1810 IonicContact NH2-OE1 2.69Å; R1770-E1810 PolarHBondContact NH2-OE1 2.97Å; R1770-E1810 IonicContact NH2-OE2 3.99Å; R1770-E1810 PolarHBondContact NH2-OE2 2.83Å |
| 1771 | V | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.3 | -48.2 | 175.3 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | I1735 A1747 E1748 S1767 I1769 F1773 R1774 A1775 | I1735-V1771 HydrophobicContact CG2-CG2 3.24Å; A1747-V1771 HydrophobicContact CB-CG1 3.77Å; A1747-V1771 HydrophobicContact CB-CG2 3.91Å; E1748-V1771 HydrophobicContact CB-CG1 3.94Å; S1767-V1771 WeakPolarHBondContact O-CG2 3.32Å; S1767-V1771 PolarHBondContact O-N 3.11Å; I1769-V1771 PolarHBondContact O-N 2.93Å; V1771-F1773 VanDerWaalsContact C-N 3.25Å; V1771-F1773 PolarHBondContact O-N 2.64Å; V1771-R1774 PolarHBondContact O-N 3.07Å; V1771-R1774 VanDerWaalsContact O-N 3.14Å; V1771-A1775 WeakPolarHBondContact O-CB 3.35Å; V1771-A1775 PolarHBondContact O-N 3.5Å |
| 1772 | R | 93.7 | Very high | 91.4 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 5% | 0.053 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.3 | -35.5 | 179.8 | -74.5 | 176.2 | 163.8 | -158.1 | -3.6 | 111.8 | E1748 R1752 L1768 I1769 N1777 A1780 A1781 E1783 | E1748-R1772 HydrophobicContact CG-CG 4.22Å; E1748-R1772 IonicContact OE1-CZ 3.72Å; E1748-R1772 VanDerWaalsContact OE1-CZ 3.31Å; E1748-R1772 IonicContact OE1-NE 3.72Å; E1748-R1772 PolarHBondContact OE1-NE 2.93Å; E1748-R1772 IonicContact OE1-NH2 2.7Å; E1748-R1772 PolarHBondContact OE1-NH2 3.37Å; R1752-R1772 VanDerWaalsContact NH2-NH2 3.11Å; L1768-R1772 HydrophobicContact CD1-CG 4.35Å; L1768-R1772 WeakPolarHBondContact O-CB 3.45Å; L1768-R1772 WeakPolarHBondContact O-CG 3.42Å; L1768-R1772 PolarHBondContact O-N 2.93Å; I1769-R1772 PolarHBondContact O-N 2.83Å; R1772-N1777 CarbonylContact O-C 3.59Å; R1772-N1777 WeakPolarHBondContact O-CA 3.37Å; R1772-N1777 PolarHBondContact O-N 2.76Å; R1772-A1780 WeakPolarHBondContact CD-O 3.29Å; R1772-A1780 HydrophobicContact CG-CB 4.48Å; R1772-A1780 PolarHBondContact NH1-O 3.41Å; R1772-A1781 HydrophobicContact CB-CB 3.61Å; R1772-E1783 IonicContact CZ-OE2 2.54Å; R1772-E1783 IonicContact NH1-OE2 2.64Å; R1772-E1783 PolarHBondContact NH1-OE2 2.84Å; R1772-E1783 IonicContact NH2-OE2 3.6Å |
| 1773 | F | 92.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.7 | -50.3 | 170.2 | -93.4 | -74.5 | 0 | 0 | 0 | 113.1 | I1769 R1770 V1771 A1775 G1776 V1778 A1781 R1782 I1807 E1808 Y1811 | I1769-F1773 HydrophobicContact CG2-CD2 3.86Å; I1769-F1773 HydrophobicContact CG2-CE2 3.93Å; I1769-F1773 WeakPolarHBondContact O-CD2 3.42Å; I1769-F1773 PolarHBondContact O-N 3.16Å; R1770-F1773 PolarHBondContact O-N 2.81Å; V1771-F1773 VanDerWaalsContact C-N 3.25Å; V1771-F1773 PolarHBondContact O-N 2.64Å; F1773-A1775 PolarHBondContact O-N 2.99Å; F1773-G1776 WeakPolarHBondContact O-CA 3.18Å; F1773-G1776 PolarHBondContact O-N 2.86Å; F1773-V1778 HydrophobicContact CD1-CG2 4.15Å; F1773-V1778 HydrophobicContact CE1-CB 4.38Å; F1773-V1778 HydrophobicContact CE1-CG1 3.88Å; F1773-V1778 HydrophobicContact CE1-CG2 4.03Å; F1773-V1778 HydrophobicContact CZ-CG1 4.25Å; F1773-A1781 HydrophobicContact CD2-CB 3.39Å; F1773-A1781 HydrophobicContact CE2-CB 3.37Å; F1773-A1781 HydrophobicContact CG-CB 4.03Å; F1773-A1781 HydrophobicContact CZ-CB 4.01Å; F1773-R1782 HydrophobicContact CZ-CG 4.49Å; F1773-I1807 HydrophobicContact CB-CG2 4.06Å; F1773-I1807 HydrophobicContact CD2-CG2 3.44Å; F1773-I1807 VanDerWaalsContact CD2-CG2 3.44Å; F1773-I1807 HydrophobicContact CE2-CG2 4.15Å; F1773-I1807 HydrophobicContact CG-CG2 3.87Å; F1773-E1808 HydrophobicContact CZ-CG 4.23Å; F1773-E1808 VanDerWaalsContact CZ-OE1 3.31Å; F1773-E1808 WeakPolarHBondContact CZ-OE1 3.15Å; F1773-Y1811 HydrophobicContact CB-CD2 4.36Å; F1773-Y1811 HydrophobicContact CB-CG 4.26Å |
| 1774 | R | 89.3 | Confident | 91.5 | Very high | 48 Ų | 48 | 35.8 Ų | 35.8 | 18% | 0.181 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60 | -31.7 | 177.7 | -75.2 | 173.7 | 168 | -158.5 | -18.4 | 112.8 | D1736 S1739 D1740 H1744 R1770 V1771 G1776 Y1811 | D1736-R1774 PolarHBondContact O-NH1 3.05Å; S1739-R1774 VanDerWaalsContact OG-CB 3.27Å; S1739-R1774 WeakPolarHBondContact OG-CB 2.99Å; S1739-R1774 VanDerWaalsContact OG-CD 3.27Å; S1739-R1774 WeakPolarHBondContact OG-CD 3.45Å; D1740-R1774 VanDerWaalsContact CG-CZ 3.47Å; D1740-R1774 VanDerWaalsContact CG-NH2 3.3Å; D1740-R1774 IonicContact OD1-CZ 3.52Å; D1740-R1774 IonicContact OD1-NE 2.68Å; D1740-R1774 IonicContact OD1-NH1 2.7Å; D1740-R1774 PolarHBondContact OD1-NH1 3.12Å; D1740-R1774 IonicContact OD1-NH2 3.1Å; D1740-R1774 PolarHBondContact OD1-NH2 3.22Å; D1740-R1774 IonicContact OD2-CZ 2.8Å; D1740-R1774 VanDerWaalsContact OD2-CZ 3.23Å; D1740-R1774 IonicContact OD2-NH1 3.39Å; D1740-R1774 PolarHBondContact OD2-NH1 3.23Å; D1740-R1774 IonicContact OD2-NH2 3.12Å; D1740-R1774 PolarHBondContact OD2-NH2 2.65Å; H1744-R1774 PolarHBondContact CE1-O 3.4Å; R1770-R1774 WeakPolarHBondContact O-CB 3.45Å; R1770-R1774 WeakPolarHBondContact O-CG 3.35Å; R1770-R1774 PolarHBondContact O-N 2.82Å; V1771-R1774 PolarHBondContact O-N 3.07Å; V1771-R1774 VanDerWaalsContact O-N 3.14Å; R1774-G1776 PolarHBondContact O-N 2.97Å; R1774-Y1811 HydrophobicContact CG-CD1 4.39Å; R1774-Y1811 HydrophobicContact CG-CE1 3.9Å; R1774-Y1811 HydrophobicContact CG-CE2 4.08Å; R1774-Y1811 PolarHBondContact NE-OH 2.91Å; R1774-Y1811 PolarHBondContact NH2-OH 3.32Å |
| 1775 | A | 87.7 | Confident | 91.6 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -5.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1744 V1771 F1773 N1777 | H1744-A1775 HydrophobicContact CB-CB 3.76Å; V1771-A1775 WeakPolarHBondContact O-CB 3.35Å; V1771-A1775 PolarHBondContact O-N 3.5Å; F1773-A1775 PolarHBondContact O-N 2.99Å; A1775-N1777 HydrophobicContact CB-CB 4.35Å; A1775-N1777 PolarHBondContact O-N 3.2Å |
| 1776 | G | 87.5 | Confident | 91.5 | Very high | 57 Ų | 57 | 43.8 Ų | 43.8 | 59% | 0.588 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 1.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1773 R1774 V1778 | F1773-G1776 WeakPolarHBondContact O-CA 3.18Å; F1773-G1776 PolarHBondContact O-N 2.86Å; R1774-G1776 PolarHBondContact O-N 2.97Å; G1776-V1778 PolarHBondContact O-N 3.4Å |
| 1777 | N | 89.6 | Confident | 91.5 | Very high | 89 Ų | 89 | 45.5 Ų | 45.5 | 48% | 0.476 | 23% | 0.231 | S | C | . | . | trans | -87.2 | 57.5 | -171.8 | -127.6 | -2.4 | 0 | 0 | 0 | 111.2 | R1772 A1775 E1779 A1780 A1781 | R1772-N1777 CarbonylContact O-C 3.59Å; R1772-N1777 WeakPolarHBondContact O-CA 3.37Å; R1772-N1777 PolarHBondContact O-N 2.76Å; A1775-N1777 HydrophobicContact CB-CB 4.35Å; A1775-N1777 PolarHBondContact O-N 3.2Å; N1777-E1779 VanDerWaalsContact C-N 3.28Å; N1777-E1779 PolarHBondContact O-N 3.04Å; N1777-A1780 HydrophobicContact CB-CB 4.36Å; N1777-A1780 PolarHBondContact O-N 2.96Å; N1777-A1781 PolarHBondContact O-N 3.48Å | ||
| 1778 | V | 90.3 | Very high | 91.5 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.3 | -36 | -170.8 | 176.9 | 0 | 0 | 0 | 0 | 112.9 | F1773 G1776 A1781 R1782 | F1773-V1778 HydrophobicContact CD1-CG2 4.15Å; F1773-V1778 HydrophobicContact CE1-CB 4.38Å; F1773-V1778 HydrophobicContact CE1-CG1 3.88Å; F1773-V1778 HydrophobicContact CE1-CG2 4.03Å; F1773-V1778 HydrophobicContact CZ-CG1 4.25Å; G1776-V1778 PolarHBondContact O-N 3.4Å; V1778-A1781 PolarHBondContact O-N 2.95Å; V1778-R1782 HydrophobicContact CG1-CG 4.44Å; V1778-R1782 WeakPolarHBondContact O-CB 3.33Å; V1778-R1782 VanDerWaalsContact O-CG 3.23Å; V1778-R1782 WeakPolarHBondContact O-CG 3.39Å; V1778-R1782 PolarHBondContact O-N 2.83Å |
| 1779 | E | 89.5 | Confident | 91.2 | Very high | 169 Ų | 169 | 47.2 Ų | 47.2 | 79% | 0.79 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -67.5 | -46.6 | 178.7 | -62.9 | -171.7 | 162.9 | 0 | 0 | 111.5 | N1777 A1781 R1782 E1783 | N1777-E1779 VanDerWaalsContact C-N 3.28Å; N1777-E1779 PolarHBondContact O-N 3.04Å; E1779-A1781 VanDerWaalsContact C-N 3.29Å; E1779-A1781 PolarHBondContact O-N 2.97Å; E1779-R1782 CarbonylContact O-C 3.59Å; E1779-R1782 PolarHBondContact O-N 2.85Å; E1779-R1782 VanDerWaalsContact O-N 3.16Å; E1779-E1783 WeakPolarHBondContact O-CB 3.4Å; E1779-E1783 PolarHBondContact O-N 3.39Å |
| 1780 | A | 90.8 | Very high | 90.9 | Very high | 19 Ų | 19 | 51.6 Ų | 51.6 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.5 | -36.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1772 N1777 R1782 E1783 A1784 | R1772-A1780 WeakPolarHBondContact CD-O 3.29Å; R1772-A1780 HydrophobicContact CG-CB 4.48Å; R1772-A1780 PolarHBondContact NH1-O 3.41Å; N1777-A1780 HydrophobicContact CB-CB 4.36Å; N1777-A1780 PolarHBondContact O-N 2.96Å; A1780-R1782 VanDerWaalsContact C-N 3.3Å; A1780-R1782 PolarHBondContact O-N 2.89Å; A1780-E1783 WeakPolarHBondContact O-CB 3.34Å; A1780-E1783 PolarHBondContact O-N 3.15Å; A1780-A1784 PolarHBondContact O-N 3.01Å |
| 1781 | A | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1772 F1773 N1777 V1778 E1779 A1784 Q1785 | R1772-A1781 HydrophobicContact CB-CB 3.61Å; F1773-A1781 HydrophobicContact CD2-CB 3.39Å; F1773-A1781 HydrophobicContact CE2-CB 3.37Å; F1773-A1781 HydrophobicContact CG-CB 4.03Å; F1773-A1781 HydrophobicContact CZ-CB 4.01Å; N1777-A1781 PolarHBondContact O-N 3.48Å; V1778-A1781 PolarHBondContact O-N 2.95Å; E1779-A1781 VanDerWaalsContact C-N 3.29Å; E1779-A1781 PolarHBondContact O-N 2.97Å; A1781-A1784 PolarHBondContact O-N 2.88Å; A1781-Q1785 WeakPolarHBondContact O-CG 3.41Å; A1781-Q1785 PolarHBondContact O-N 3.43Å; A1781-Q1785 VanDerWaalsContact O-N 3.08Å |
| 1782 | R | 92.6 | Very high | 90.5 | Very high | 73 Ų | 73 | 54.6 Ų | 54.6 | 28% | 0.275 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -75.1 | -28.6 | 176.9 | -68.8 | 176.9 | 172.9 | 168.2 | -1.7 | 113.3 | F1773 V1778 E1779 A1780 R1786 E1808 | F1773-R1782 HydrophobicContact CZ-CG 4.49Å; V1778-R1782 HydrophobicContact CG1-CG 4.44Å; V1778-R1782 WeakPolarHBondContact O-CB 3.33Å; V1778-R1782 VanDerWaalsContact O-CG 3.23Å; V1778-R1782 WeakPolarHBondContact O-CG 3.39Å; V1778-R1782 PolarHBondContact O-N 2.83Å; E1779-R1782 CarbonylContact O-C 3.59Å; E1779-R1782 PolarHBondContact O-N 2.85Å; E1779-R1782 VanDerWaalsContact O-N 3.16Å; A1780-R1782 VanDerWaalsContact C-N 3.3Å; A1780-R1782 PolarHBondContact O-N 2.89Å; R1782-R1786 WeakPolarHBondContact O-CG 3.31Å; R1782-R1786 PolarHBondContact O-N 3.36Å; R1782-E1808 IonicContact CZ-OE1 3.14Å; R1782-E1808 IonicContact CZ-OE2 2.86Å; R1782-E1808 IonicContact NE-OE1 3.9Å; R1782-E1808 PolarHBondContact NE-OE1 3.44Å; R1782-E1808 IonicContact NE-OE2 2.78Å; R1782-E1808 IonicContact NH2-OE1 2.69Å; R1782-E1808 IonicContact NH2-OE2 2.78Å; R1782-E1808 PolarHBondContact NH2-OE2 2.9Å |
| 1783 | E | 91.3 | Very high | 90.2 | Very high | 82 Ų | 82 | 60.8 Ų | 60.8 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65 | -48.4 | 167.3 | -174.2 | -121.8 | 156 | 0 | 0 | 110.8 | R1772 E1779 A1780 Q1785 R1786 N1787 | R1772-E1783 IonicContact CZ-OE2 2.54Å; R1772-E1783 IonicContact NH1-OE2 2.64Å; R1772-E1783 PolarHBondContact NH1-OE2 2.84Å; R1772-E1783 IonicContact NH2-OE2 3.6Å; E1779-E1783 WeakPolarHBondContact O-CB 3.4Å; E1779-E1783 PolarHBondContact O-N 3.39Å; A1780-E1783 WeakPolarHBondContact O-CB 3.34Å; A1780-E1783 PolarHBondContact O-N 3.15Å; E1783-Q1785 VanDerWaalsContact C-N 3.31Å; E1783-Q1785 PolarHBondContact O-N 3.35Å; E1783-R1786 WeakPolarHBondContact O-CB 3.48Å; E1783-R1786 PolarHBondContact O-N 2.87Å; E1783-N1787 PolarHBondContact O-N 2.9Å; E1783-N1787 PolarHBondContact O-OD1 2.92Å; E1783-N1787 PolarHBondContact OE1-ND2 3.02Å |
| 1784 | A | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.6 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1768 I1769 A1780 A1781 N1787 S1788 | L1768-A1784 HydrophobicContact CD2-CB 4.3Å; L1768-A1784 HydrophobicContact CG-CB 4.37Å; I1769-A1784 HydrophobicContact CG1-CB 3.76Å; A1780-A1784 PolarHBondContact O-N 3.01Å; A1781-A1784 PolarHBondContact O-N 2.88Å; A1784-N1787 PolarHBondContact O-N 2.9Å; A1784-S1788 WeakPolarHBondContact O-CB 3.16Å; A1784-S1788 PolarHBondContact O-N 3.15Å; A1784-S1788 PolarHBondContact O-OG 3.2Å |
| 1785 | Q | 92.9 | Very high | 89.6 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 5% | 0.051 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 172 | -69.4 | 164.6 | 4 | 0 | 0 | 112.6 | I1769 A1781 E1783 S1788 A1789 V1804 E1808 R1816 | I1769-Q1785 HydrophobicContact CD1-CB 4.38Å; I1769-Q1785 HydrophobicContact CD1-CG 3.74Å; I1769-Q1785 HydrophobicContact CG1-CG 4.1Å; I1769-Q1785 HydrophobicContact CG2-CG 3.97Å; A1781-Q1785 WeakPolarHBondContact O-CG 3.41Å; A1781-Q1785 PolarHBondContact O-N 3.43Å; A1781-Q1785 VanDerWaalsContact O-N 3.08Å; E1783-Q1785 VanDerWaalsContact C-N 3.31Å; E1783-Q1785 PolarHBondContact O-N 3.35Å; Q1785-S1788 WeakPolarHBondContact CA-OG 3.42Å; Q1785-S1788 PolarHBondContact O-N 3.22Å; Q1785-S1788 PolarHBondContact O-OG 2.73Å; Q1785-A1789 WeakPolarHBondContact O-CB 3.32Å; Q1785-A1789 PolarHBondContact O-N 3.11Å; Q1785-V1804 HydrophobicContact CG-CG1 3.81Å; Q1785-V1804 HydrophobicContact CG-CG2 4.02Å; Q1785-V1804 VanDerWaalsContact NE2-CG1 3.33Å; Q1785-E1808 PolarHBondContact NE2-OE1 3.07Å; Q1785-R1816 VanDerWaalsContact OE1-CZ 3.27Å |
| 1786 | R | 92.2 | Very high | 89.6 | Confident | 180 Ų | 180 | 66.5 Ų | 66.5 | 68% | 0.679 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64 | -45.4 | 177.5 | -69.9 | 168.9 | -177.9 | 165.4 | 0.1 | 111.2 | R1782 E1783 S1788 A1789 S1790 | R1782-R1786 WeakPolarHBondContact O-CG 3.31Å; R1782-R1786 PolarHBondContact O-N 3.36Å; E1783-R1786 WeakPolarHBondContact O-CB 3.48Å; E1783-R1786 PolarHBondContact O-N 2.87Å; R1786-S1788 VanDerWaalsContact C-N 3.33Å; R1786-S1788 PolarHBondContact O-N 3.34Å; R1786-A1789 PolarHBondContact O-N 3.07Å; R1786-S1790 PolarHBondContact O-N 3.49Å; R1786-S1790 PolarHBondContact O-OG 3.14Å |
| 1787 | N | 91.7 | Very high | 89.6 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 31% | 0.31 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.3 | -35.9 | -179.8 | -59.4 | -8.6 | 0 | 0 | 0 | 111.4 | W1765 E1783 A1784 S1790 L1791 | W1765-N1787 HydrophobicContact CH2-CB 3.91Å; W1765-N1787 HydrophobicContact CZ3-CB 4.04Å; E1783-N1787 PolarHBondContact O-N 2.9Å; E1783-N1787 PolarHBondContact O-OD1 2.92Å; E1783-N1787 PolarHBondContact OE1-ND2 3.02Å; A1784-N1787 PolarHBondContact O-N 2.9Å; N1787-S1790 PolarHBondContact O-OG 3.04Å; N1787-S1790 VanDerWaalsContact O-OG 3.13Å; N1787-L1791 WeakPolarHBondContact O-CB 3.48Å; N1787-L1791 WeakPolarHBondContact O-CD1 3.4Å; N1787-L1791 VanDerWaalsContact O-CG 3.31Å; N1787-L1791 WeakPolarHBondContact O-CG 3.39Å; N1787-L1791 PolarHBondContact O-N 2.85Å |
| 1788 | S | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 171.9 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | W1765 A1784 Q1785 R1786 S1790 L1791 L1792 L1800 | W1765-S1788 VanDerWaalsContact CG-CB 3.42Å; A1784-S1788 WeakPolarHBondContact O-CB 3.16Å; A1784-S1788 PolarHBondContact O-N 3.15Å; A1784-S1788 PolarHBondContact O-OG 3.2Å; Q1785-S1788 WeakPolarHBondContact CA-OG 3.42Å; Q1785-S1788 PolarHBondContact O-N 3.22Å; Q1785-S1788 PolarHBondContact O-OG 2.73Å; R1786-S1788 VanDerWaalsContact C-N 3.33Å; R1786-S1788 PolarHBondContact O-N 3.34Å; S1788-S1790 VanDerWaalsContact C-N 3.34Å; S1788-S1790 PolarHBondContact O-N 2.87Å; S1788-L1791 PolarHBondContact O-N 2.99Å; S1788-L1792 VanDerWaalsContact O-CB 3.23Å; S1788-L1792 WeakPolarHBondContact O-CB 3.46Å; S1788-L1792 WeakPolarHBondContact O-CD1 3.35Å; S1788-L1792 VanDerWaalsContact O-CG 3.25Å; S1788-L1792 WeakPolarHBondContact O-CG 3.46Å; S1788-L1792 PolarHBondContact O-N 3.15Å; S1788-L1800 WeakPolarHBondContact OG-CD1 3.46Å; S1788-L1800 WeakPolarHBondContact OG-CD2 3.4Å |
| 1789 | A | 87.2 | Confident | 89.5 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72 | -23.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1785 R1786 L1797 L1800 | Q1785-A1789 WeakPolarHBondContact O-CB 3.32Å; Q1785-A1789 PolarHBondContact O-N 3.11Å; R1786-A1789 PolarHBondContact O-N 3.07Å; A1789-L1797 HydrophobicContact CB-CD2 4.21Å; A1789-L1800 HydrophobicContact CB-CD2 4.22Å |
| 1790 | S | 88.2 | Confident | 89.6 | Confident | 92 Ų | 92 | 57.1 Ų | 57.1 | 64% | 0.643 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -87.4 | -22 | 174 | 60 | 0 | 0 | 0 | 0 | 114.1 | R1786 N1787 S1788 | R1786-S1790 PolarHBondContact O-N 3.49Å; R1786-S1790 PolarHBondContact O-OG 3.14Å; N1787-S1790 PolarHBondContact O-OG 3.04Å; N1787-S1790 VanDerWaalsContact O-OG 3.13Å; S1788-S1790 VanDerWaalsContact C-N 3.34Å; S1788-S1790 PolarHBondContact O-N 2.87Å |
| 1791 | L | 88.6 | Confident | 89.5 | Confident | 101 Ų | 101 | 56.7 Ų | 56.7 | 53% | 0.529 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -98.9 | -29.4 | -178.9 | -68.7 | 170.3 | 0 | 0 | 0 | 113.8 | W1765 N1787 S1788 | W1765-L1791 HydrophobicContact CH2-CD1 4.06Å; W1765-L1791 HydrophobicContact CZ2-CD1 3.7Å; N1787-L1791 WeakPolarHBondContact O-CB 3.48Å; N1787-L1791 WeakPolarHBondContact O-CD1 3.4Å; N1787-L1791 VanDerWaalsContact O-CG 3.31Å; N1787-L1791 WeakPolarHBondContact O-CG 3.39Å; N1787-L1791 PolarHBondContact O-N 2.85Å; S1788-L1791 PolarHBondContact O-N 2.99Å |
| 1792 | L | 88.8 | Confident | 89.4 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -79 | 141.5 | 179.8 | -70.2 | 166.3 | 0 | 0 | 0 | 112 | N1760 V1762 S1788 L1796 L1797 L1800 | N1760-L1792 VanDerWaalsContact O-CD2 3.28Å; N1760-L1792 WeakPolarHBondContact O-CD2 3.43Å; V1762-L1792 HydrophobicContact CG2-CD1 4.18Å; V1762-L1792 HydrophobicContact CG2-CD2 4.26Å; S1788-L1792 VanDerWaalsContact O-CB 3.23Å; S1788-L1792 WeakPolarHBondContact O-CB 3.46Å; S1788-L1792 WeakPolarHBondContact O-CD1 3.35Å; S1788-L1792 VanDerWaalsContact O-CG 3.25Å; S1788-L1792 WeakPolarHBondContact O-CG 3.46Å; S1788-L1792 PolarHBondContact O-N 3.15Å; L1792-L1796 HydrophobicContact CD2-CD1 4.14Å; L1792-L1797 HydrophobicContact CB-CD2 4.4Å; L1792-L1800 HydrophobicContact CD1-CB 4.35Å; L1792-L1800 HydrophobicContact CD1-CD1 4.02Å; L1792-L1800 HydrophobicContact CD1-CD2 4.04Å; L1792-L1800 HydrophobicContact CD1-CG 4.35Å |
| 1793 | K | 85.8 | Confident | 89.4 | Confident | 144 Ų | 144 | 55 Ų | 55 | 63% | 0.626 | 30% | 0.297 | S | S | * | . | trans | -58.5 | 143.6 | 174.7 | -65.4 | 179.6 | 178.9 | 179 | 0 | 110.9 | S1795 L1796 | K1793-S1795 PolarHBondContact O-N 3.41Å; K1793-L1796 WeakPolarHBondContact O-CB 3.44Å; K1793-L1796 PolarHBondContact O-N 2.84Å | ||
| 1794 | S | 83.9 | Confident | 89.4 | Confident | 93 Ų | 93 | 51.3 Ų | 51.3 | 65% | 0.65 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -30.9 | -177.7 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | L1796 L1797 | S1794-L1796 PolarHBondContact O-N 3.11Å; S1794-L1797 PolarHBondContact O-N 3.04Å |
| 1795 | S | 85.5 | Confident | 89.4 | Confident | 76 Ų | 76 | 51.3 Ų | 51.3 | 53% | 0.531 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.3 | 174.7 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | K1793 | K1793-S1795 PolarHBondContact O-N 3.41Š|
| 1796 | L | 88.5 | Confident | 89.4 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -18.2 | -177.9 | -63.2 | 174.1 | 0 | 0 | 0 | 113.1 | V1762 L1792 K1793 S1794 P1798 Q1799 L1800 | V1762-L1796 HydrophobicContact CG2-CB 3.85Å; V1762-L1796 HydrophobicContact CG2-CD1 4.23Å; V1762-L1796 HydrophobicContact CG2-CD2 4.24Å; V1762-L1796 HydrophobicContact CG2-CG 4.33Å; L1792-L1796 HydrophobicContact CD2-CD1 4.14Å; K1793-L1796 WeakPolarHBondContact O-CB 3.44Å; K1793-L1796 PolarHBondContact O-N 2.84Å; S1794-L1796 PolarHBondContact O-N 3.11Å; L1796-P1798 VanDerWaalsContact C-CD 3.41Å; L1796-P1798 VanDerWaalsContact C-N 3.31Å; L1796-Q1799 WeakPolarHBondContact O-CB 3.23Å; L1796-Q1799 PolarHBondContact O-N 3.31Å; L1796-L1800 PolarHBondContact O-N 3.25Å |
| 1797 | L | 88.2 | Confident | 89.4 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54.2 | -36.2 | -179.9 | -63.3 | 177.3 | 0 | 0 | 0 | 114.2 | A1789 L1792 S1794 Q1799 L1800 A1801 | A1789-L1797 HydrophobicContact CB-CD2 4.21Å; L1792-L1797 HydrophobicContact CB-CD2 4.4Å; S1794-L1797 PolarHBondContact O-N 3.04Å; L1797-Q1799 VanDerWaalsContact C-N 3.34Å; L1797-Q1799 PolarHBondContact O-N 3.3Å; L1797-L1800 HydrophobicContact CD2-CD2 4.19Å; L1797-L1800 PolarHBondContact O-N 2.57Å; L1797-A1801 VanDerWaalsContact O-CB 3.27Å; L1797-A1801 WeakPolarHBondContact O-CB 3.37Å; L1797-A1801 PolarHBondContact O-N 3.03Å |
| 1798 | P | 87.4 | Confident | 89.4 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.032 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.2 | -36.3 | 176.2 | -19.1 | 30.2 | 0 | 0 | 0 | 112.5 | L1796 A1801 I1802 Q1824 H1828 | L1796-P1798 VanDerWaalsContact C-CD 3.41Å; L1796-P1798 VanDerWaalsContact C-N 3.31Å; P1798-A1801 PolarHBondContact O-N 3.43Å; P1798-I1802 WeakPolarHBondContact O-CD1 3.45Å; P1798-I1802 VanDerWaalsContact O-CG1 3.28Å; P1798-I1802 WeakPolarHBondContact O-CG1 3.48Å; P1798-I1802 PolarHBondContact O-N 2.87Å; P1798-Q1824 VanDerWaalsContact CA-OE1 3.32Å; P1798-H1828 VanDerWaalsContact CG-CD2 3.45Å; P1798-H1828 WeakPolarHBondContact CG-CD2 3.3Å; P1798-H1828 WeakPolarHBondContact CG-NE2 3.45Å |
| 1799 | Q | 88.8 | Confident | 89.4 | Confident | 103 Ų | 103 | 45 Ų | 45 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 177.5 | -176.8 | -179.4 | -15.6 | 0 | 0 | 110.4 | V1762 L1796 L1797 A1801 G1803 | V1762-Q1799 HydrophobicContact CG1-CG 4.18Å; L1796-Q1799 WeakPolarHBondContact O-CB 3.23Å; L1796-Q1799 PolarHBondContact O-N 3.31Å; L1797-Q1799 VanDerWaalsContact C-N 3.34Å; L1797-Q1799 PolarHBondContact O-N 3.3Å; Q1799-A1801 PolarHBondContact O-N 2.9Å; Q1799-G1803 PolarHBondContact O-N 3.01Å; Q1799-G1803 VanDerWaalsContact O-N 3.08Å |
| 1800 | L | 91.6 | Very high | 89.4 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56 | -50.9 | 172.2 | 176.2 | 75 | 0 | 0 | 0 | 110.7 | V1762 W1765 L1766 S1788 A1789 L1792 L1796 L1797 I1802 G1803 V1804 | V1762-L1800 HydrophobicContact CG1-CB 3.94Å; V1762-L1800 HydrophobicContact CG1-CD1 4.2Å; W1765-L1800 HydrophobicContact CB-CD1 4.44Å; L1766-L1800 HydrophobicContact CD2-CD1 4.28Å; S1788-L1800 WeakPolarHBondContact OG-CD1 3.46Å; S1788-L1800 WeakPolarHBondContact OG-CD2 3.4Å; A1789-L1800 HydrophobicContact CB-CD2 4.22Å; L1792-L1800 HydrophobicContact CD1-CB 4.35Å; L1792-L1800 HydrophobicContact CD1-CD1 4.02Å; L1792-L1800 HydrophobicContact CD1-CD2 4.04Å; L1792-L1800 HydrophobicContact CD1-CG 4.35Å; L1796-L1800 PolarHBondContact O-N 3.25Å; L1797-L1800 HydrophobicContact CD2-CD2 4.19Å; L1797-L1800 PolarHBondContact O-N 2.57Å; L1800-I1802 PolarHBondContact O-N 2.86Å; L1800-G1803 CarbonylContact O-C 3.57Å; L1800-G1803 PolarHBondContact O-N 2.74Å; L1800-G1803 VanDerWaalsContact O-N 3.16Å; L1800-V1804 HydrophobicContact CD1-CG2 4.04Å; L1800-V1804 HydrophobicContact CG-CG2 4.15Å; L1800-V1804 WeakPolarHBondContact O-CB 3.17Å; L1800-V1804 VanDerWaalsContact O-CG2 3.3Å; L1800-V1804 WeakPolarHBondContact O-CG2 3.42Å; L1800-V1804 PolarHBondContact O-N 2.89Å |
| 1801 | A | 90.3 | Very high | 89.4 | Confident | 9 Ų | 9 | 46 Ų | 46 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.6 | -38.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1797 P1798 Q1799 A1805 Q1824 | L1797-A1801 VanDerWaalsContact O-CB 3.27Å; L1797-A1801 WeakPolarHBondContact O-CB 3.37Å; L1797-A1801 PolarHBondContact O-N 3.03Å; P1798-A1801 PolarHBondContact O-N 3.43Å; Q1799-A1801 PolarHBondContact O-N 2.9Å; A1801-A1805 VanDerWaalsContact O-CB 3.31Å; A1801-A1805 WeakPolarHBondContact O-CB 3.21Å; A1801-A1805 PolarHBondContact O-N 2.82Å; A1801-Q1824 HydrophobicContact CB-CG 3.39Å |
| 1802 | I | 90.5 | Very high | 89.3 | Confident | 26 Ų | 26 | 42.4 Ų | 42.4 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 171.7 | -64.3 | 161 | 0 | 0 | 0 | 110.5 | P1798 L1800 A1805 R1806 L1834 E1837 L1841 | P1798-I1802 WeakPolarHBondContact O-CD1 3.45Å; P1798-I1802 VanDerWaalsContact O-CG1 3.28Å; P1798-I1802 WeakPolarHBondContact O-CG1 3.48Å; P1798-I1802 PolarHBondContact O-N 2.87Å; L1800-I1802 PolarHBondContact O-N 2.86Å; I1802-A1805 WeakPolarHBondContact O-CB 3.23Å; I1802-A1805 PolarHBondContact O-N 2.93Å; I1802-R1806 PolarHBondContact O-N 3.4Å; I1802-L1834 HydrophobicContact CD1-CD1 3.78Å; I1802-L1834 HydrophobicContact CG1-CD1 4.07Å; I1802-E1837 HydrophobicContact CD1-CB 4.34Å; I1802-E1837 HydrophobicContact CD1-CG 4.43Å; I1802-E1837 HydrophobicContact CG2-CG 4.06Å; I1802-L1841 HydrophobicContact CG2-CD1 4.41Å |
| 1803 | G | 90.8 | Very high | 89.3 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 11% | 0.113 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -39 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1799 L1800 R1806 I1807 | Q1799-G1803 PolarHBondContact O-N 3.01Å; Q1799-G1803 VanDerWaalsContact O-N 3.08Å; L1800-G1803 CarbonylContact O-C 3.57Å; L1800-G1803 PolarHBondContact O-N 2.74Å; L1800-G1803 VanDerWaalsContact O-N 3.16Å; G1803-R1806 WeakPolarHBondContact O-CB 3.44Å; G1803-R1806 PolarHBondContact O-N 3.06Å; G1803-I1807 WeakPolarHBondContact O-CG1 3.27Å; G1803-I1807 PolarHBondContact O-N 2.75Å |
| 1804 | V | 93.1 | Very high | 89.5 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.1 | -38.5 | 174.2 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L1766 I1769 Q1785 L1800 I1807 E1808 L1820 | L1766-V1804 HydrophobicContact CD2-CG2 3.84Å; I1769-V1804 HydrophobicContact CD1-CG2 4.03Å; Q1785-V1804 HydrophobicContact CG-CG1 3.81Å; Q1785-V1804 HydrophobicContact CG-CG2 4.02Å; Q1785-V1804 VanDerWaalsContact NE2-CG1 3.33Å; L1800-V1804 HydrophobicContact CD1-CG2 4.04Å; L1800-V1804 HydrophobicContact CG-CG2 4.15Å; L1800-V1804 WeakPolarHBondContact O-CB 3.17Å; L1800-V1804 VanDerWaalsContact O-CG2 3.3Å; L1800-V1804 WeakPolarHBondContact O-CG2 3.42Å; L1800-V1804 PolarHBondContact O-N 2.89Å; V1804-I1807 PolarHBondContact O-N 2.78Å; V1804-E1808 HydrophobicContact CG1-CG 4.38Å; V1804-E1808 PolarHBondContact O-N 2.75Å; V1804-L1820 HydrophobicContact CG1-CD1 3.74Å |
| 1805 | A | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1801 I1802 I1807 E1808 F1809 A1817 L1821 | A1801-A1805 VanDerWaalsContact O-CB 3.31Å; A1801-A1805 WeakPolarHBondContact O-CB 3.21Å; A1801-A1805 PolarHBondContact O-N 2.82Å; I1802-A1805 WeakPolarHBondContact O-CB 3.23Å; I1802-A1805 PolarHBondContact O-N 2.93Å; A1805-I1807 VanDerWaalsContact C-N 3.32Å; A1805-I1807 PolarHBondContact O-N 3.17Å; A1805-E1808 PolarHBondContact O-N 2.89Å; A1805-F1809 WeakPolarHBondContact O-CD2 3.47Å; A1805-F1809 PolarHBondContact O-N 3Å; A1805-A1817 HydrophobicContact CB-CB 4.34Å; A1805-L1821 HydrophobicContact CB-CD2 3.59Å; A1805-L1821 HydrophobicContact CB-CG 4.15Å |
| 1806 | R | 92.2 | Very high | 90.1 | Very high | 95 Ų | 95 | 39.2 Ų | 39.2 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -51.7 | -51.5 | 172.1 | -70.6 | 177.4 | -177.8 | -176.3 | -2 | 111.1 | I1802 G1803 E1808 F1809 E1810 E1837 L1841 | I1802-R1806 PolarHBondContact O-N 3.4Å; G1803-R1806 WeakPolarHBondContact O-CB 3.44Å; G1803-R1806 PolarHBondContact O-N 3.06Å; R1806-E1808 PolarHBondContact O-N 2.93Å; R1806-F1809 PolarHBondContact O-N 2.93Å; R1806-E1810 VanDerWaalsContact O-CG 3.32Å; R1806-E1810 WeakPolarHBondContact O-CG 3.11Å; R1806-E1810 PolarHBondContact O-N 3.03Å; R1806-E1837 IonicContact CZ-OE1 2.62Å; R1806-E1837 IonicContact NH1-OE1 3.29Å; R1806-E1837 IonicContact NH2-OE1 3.94Å; R1806-E1837 PolarHBondContact NH2-OE1 3.33Å; R1806-L1841 HydrophobicContact CB-CD1 4.4Å; R1806-L1841 HydrophobicContact CG-CD1 3.24Å |
| 1807 | I | 92 | Very high | 90.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -36.3 | -178 | -59.7 | 162.3 | 0 | 0 | 0 | 112 | L1766 I1769 R1770 F1773 G1803 V1804 A1805 E1810 Y1811 | L1766-I1807 HydrophobicContact CB-CD1 4.28Å; L1766-I1807 HydrophobicContact CD2-CD1 3.98Å; L1766-I1807 WeakPolarHBondContact O-CD1 3.45Å; I1769-I1807 HydrophobicContact CB-CD1 4.31Å; I1769-I1807 HydrophobicContact CG2-CD1 4.07Å; I1769-I1807 HydrophobicContact CG2-CG2 4.25Å; R1770-I1807 HydrophobicContact CB-CD1 3.99Å; R1770-I1807 HydrophobicContact CB-CG1 4.3Å; F1773-I1807 HydrophobicContact CB-CG2 4.06Å; F1773-I1807 HydrophobicContact CD2-CG2 3.44Å; F1773-I1807 VanDerWaalsContact CD2-CG2 3.44Å; F1773-I1807 HydrophobicContact CE2-CG2 4.15Å; F1773-I1807 HydrophobicContact CG-CG2 3.87Å; G1803-I1807 WeakPolarHBondContact O-CG1 3.27Å; G1803-I1807 PolarHBondContact O-N 2.75Å; V1804-I1807 PolarHBondContact O-N 2.78Å; A1805-I1807 VanDerWaalsContact C-N 3.32Å; A1805-I1807 PolarHBondContact O-N 3.17Å; I1807-E1810 PolarHBondContact O-N 3.19Å; I1807-Y1811 HydrophobicContact CG2-CD2 4.14Å; I1807-Y1811 PolarHBondContact O-N 2.76Å |
| 1808 | E | 91.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.8 | -28.6 | 175.2 | -69.9 | -93.3 | -173.8 | 0 | 0 | 112.9 | F1773 R1782 Q1785 V1804 A1805 R1806 G1812 D1813 R1816 A1817 | F1773-E1808 HydrophobicContact CZ-CG 4.23Å; F1773-E1808 VanDerWaalsContact CZ-OE1 3.31Å; F1773-E1808 WeakPolarHBondContact CZ-OE1 3.15Å; R1782-E1808 IonicContact CZ-OE1 3.14Å; R1782-E1808 IonicContact CZ-OE2 2.86Å; R1782-E1808 IonicContact NE-OE1 3.9Å; R1782-E1808 PolarHBondContact NE-OE1 3.44Å; R1782-E1808 IonicContact NE-OE2 2.78Å; R1782-E1808 IonicContact NH2-OE1 2.69Å; R1782-E1808 IonicContact NH2-OE2 2.78Å; R1782-E1808 PolarHBondContact NH2-OE2 2.9Å; Q1785-E1808 PolarHBondContact NE2-OE1 3.07Å; V1804-E1808 HydrophobicContact CG1-CG 4.38Å; V1804-E1808 PolarHBondContact O-N 2.75Å; A1805-E1808 PolarHBondContact O-N 2.89Å; R1806-E1808 PolarHBondContact O-N 2.93Å; E1808-G1812 CarbonylContact O-C 3.28Å; E1808-G1812 WeakPolarHBondContact O-CA 3.43Å; E1808-G1812 PolarHBondContact O-N 2.83Å; E1808-G1812 WeakPolarHBondContact OE2-CA 3.47Å; E1808-D1813 PolarHBondContact O-N 2.94Å; E1808-D1813 PolarHBondContact OE2-N 3.21Å; E1808-R1816 IonicContact OE1-CZ 3.42Å; E1808-R1816 IonicContact OE1-NH1 2.79Å; E1808-R1816 PolarHBondContact OE1-NH1 2.79Å; E1808-A1817 HydrophobicContact CB-CB 3.84Å |
| 1809 | F | 91.9 | Very high | 90.5 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.7 | -40.8 | 168.2 | -85.9 | -74.6 | 0 | 0 | 0 | 112 | A1805 R1806 V1814 A1817 I1818 L1821 L1841 L1842 N1845 K1847 | A1805-F1809 WeakPolarHBondContact O-CD2 3.47Å; A1805-F1809 PolarHBondContact O-N 3Å; R1806-F1809 PolarHBondContact O-N 2.93Å; F1809-V1814 HydrophobicContact CD1-CG1 4.18Å; F1809-V1814 HydrophobicContact CD1-CG2 4.31Å; F1809-V1814 HydrophobicContact CE1-CG1 3.81Å; F1809-A1817 HydrophobicContact CD1-CB 4.46Å; F1809-A1817 HydrophobicContact CD2-CB 3.4Å; F1809-A1817 VanDerWaalsContact CD2-CB 3.4Å; F1809-A1817 HydrophobicContact CE1-CB 4.48Å; F1809-A1817 HydrophobicContact CE2-CB 3.38Å; F1809-A1817 HydrophobicContact CG-CB 3.95Å; F1809-A1817 HydrophobicContact CZ-CB 3.96Å; F1809-I1818 HydrophobicContact CE1-CG1 4.44Å; F1809-I1818 HydrophobicContact CZ-CD1 4.5Å; F1809-I1818 HydrophobicContact CZ-CG1 3.79Å; F1809-L1821 HydrophobicContact CE2-CD1 4.35Å; F1809-L1841 HydrophobicContact CD2-CD2 3.66Å; F1809-L1841 HydrophobicContact CE2-CD2 3.37Å; F1809-L1841 HydrophobicContact CZ-CD2 4.31Å; F1809-L1842 HydrophobicContact CZ-CD2 3.83Å; F1809-N1845 HydrophobicContact CD1-CB 3.68Å; F1809-N1845 HydrophobicContact CE1-CB 3.86Å; F1809-N1845 HydrophobicContact CG-CB 4.32Å; F1809-K1847 HydrophobicContact CE1-CG 4.12Å |
| 1810 | E | 88.3 | Confident | 90.5 | Very high | 85 Ų | 85 | 37.9 Ų | 37.9 | 40% | 0.397 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -71.8 | -40.9 | -180 | -70.8 | 172.9 | -128.4 | 0 | 0 | 113.2 | R1770 R1806 I1807 | R1770-E1810 IonicContact CZ-OE1 3.15Å; R1770-E1810 IonicContact CZ-OE2 3.94Å; R1770-E1810 IonicContact NH1-OE1 2.79Å; R1770-E1810 IonicContact NH1-OE2 3.89Å; R1770-E1810 PolarHBondContact NH1-OE2 2.81Å; R1770-E1810 IonicContact NH2-OE1 2.69Å; R1770-E1810 PolarHBondContact NH2-OE1 2.97Å; R1770-E1810 IonicContact NH2-OE2 3.99Å; R1770-E1810 PolarHBondContact NH2-OE2 2.83Å; R1806-E1810 VanDerWaalsContact O-CG 3.32Å; R1806-E1810 WeakPolarHBondContact O-CG 3.11Å; R1806-E1810 PolarHBondContact O-N 3.03Å; I1807-E1810 PolarHBondContact O-N 3.19Å |
| 1811 | Y | 87.8 | Confident | 90.5 | Very high | 79 Ų | 79 | 37.7 Ų | 37.7 | 31% | 0.31 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -135.5 | -5.8 | -167.1 | -56.8 | -70 | 0 | 0 | 0 | 115.7 | F1773 R1774 I1807 | F1773-Y1811 HydrophobicContact CB-CD2 4.36Å; F1773-Y1811 HydrophobicContact CB-CG 4.26Å; R1774-Y1811 HydrophobicContact CG-CD1 4.39Å; R1774-Y1811 HydrophobicContact CG-CE1 3.9Å; R1774-Y1811 HydrophobicContact CG-CE2 4.08Å; R1774-Y1811 PolarHBondContact NE-OH 2.91Å; R1774-Y1811 PolarHBondContact NH2-OH 3.32Å; I1807-Y1811 HydrophobicContact CG2-CD2 4.14Å; I1807-Y1811 PolarHBondContact O-N 2.76Å |
| 1812 | G | 85.8 | Confident | 90.5 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 26% | 0.258 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -123.1 | -138.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115 | E1808 | E1808-G1812 CarbonylContact O-C 3.28Å; E1808-G1812 WeakPolarHBondContact O-CA 3.43Å; E1808-G1812 PolarHBondContact O-N 2.83Å; E1808-G1812 WeakPolarHBondContact OE2-CA 3.47Å |
| 1813 | D | 88.3 | Confident | 90.4 | Very high | 55 Ų | 55 | 45.3 Ų | 45.3 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | trans | -100.7 | 108.9 | 178.2 | 174.5 | 12.7 | 0 | 0 | 0 | 110.7 | E1808 D1815 R1816 A1817 R1819 | E1808-D1813 PolarHBondContact O-N 2.94Å; E1808-D1813 PolarHBondContact OE2-N 3.21Å; D1813-D1815 PolarHBondContact O-N 2.8Å; D1813-D1815 PolarHBondContact OD1-N 2.97Å; D1813-R1816 HydrophobicContact CB-CB 3.83Å; D1813-R1816 CarbonylContact O-C 3.53Å; D1813-R1816 WeakPolarHBondContact O-CA 3.45Å; D1813-R1816 WeakPolarHBondContact O-CB 3.48Å; D1813-R1816 PolarHBondContact O-N 3.03Å; D1813-R1816 PolarHBondContact OD1-N 2.98Å; D1813-R1816 WeakPolarHBondContact OD2-CB 3.36Å; D1813-R1816 PolarHBondContact OD2-N 2.85Å; D1813-A1817 PolarHBondContact O-N 2.84Å; D1813-R1819 IonicContact OD2-NH2 3.2Å; D1813-R1819 PolarHBondContact OD2-NH2 2.85Å | ||
| 1814 | V | 90.5 | Very high | 90.3 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 26% | 0.255 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -52.5 | -39.2 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 112.5 | F1809 R1816 A1817 I1818 | F1809-V1814 HydrophobicContact CD1-CG1 4.18Å; F1809-V1814 HydrophobicContact CD1-CG2 4.31Å; F1809-V1814 HydrophobicContact CE1-CG1 3.81Å; V1814-R1816 VanDerWaalsContact C-N 3.32Å; V1814-A1817 PolarHBondContact O-N 2.76Å; V1814-I1818 HydrophobicContact CG1-CD1 4.16Å; V1814-I1818 WeakPolarHBondContact O-CG1 3.49Å; V1814-I1818 PolarHBondContact O-N 3.49Å |
| 1815 | D | 90.9 | Very high | 90.1 | Very high | 98 Ų | 98 | 45.5 Ų | 45.5 | 52% | 0.524 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -77.9 | -22.6 | -179.1 | -64.5 | -24.1 | 0 | 0 | 0 | 111 | D1813 R1819 | D1813-D1815 PolarHBondContact O-N 2.8Å; D1813-D1815 PolarHBondContact OD1-N 2.97Å; D1815-R1819 WeakPolarHBondContact O-CG 3.07Å; D1815-R1819 PolarHBondContact O-N 3.45Å; D1815-R1819 PolarHBondContact O-NE 2.69Å |
| 1816 | R | 90.4 | Very high | 89.9 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.7 | -39.6 | 167.1 | -174.4 | 166.9 | -178.4 | -115.1 | -5.2 | 112 | Q1785 E1808 D1813 V1814 I1818 R1819 L1820 | Q1785-R1816 VanDerWaalsContact OE1-CZ 3.27Å; E1808-R1816 IonicContact OE1-CZ 3.42Å; E1808-R1816 IonicContact OE1-NH1 2.79Å; E1808-R1816 PolarHBondContact OE1-NH1 2.79Å; D1813-R1816 HydrophobicContact CB-CB 3.83Å; D1813-R1816 CarbonylContact O-C 3.53Å; D1813-R1816 WeakPolarHBondContact O-CA 3.45Å; D1813-R1816 WeakPolarHBondContact O-CB 3.48Å; D1813-R1816 PolarHBondContact O-N 3.03Å; D1813-R1816 PolarHBondContact OD1-N 2.98Å; D1813-R1816 WeakPolarHBondContact OD2-CB 3.36Å; D1813-R1816 PolarHBondContact OD2-N 2.85Å; V1814-R1816 VanDerWaalsContact C-N 3.32Å; R1816-I1818 VanDerWaalsContact C-N 3.32Å; R1816-I1818 PolarHBondContact O-N 2.82Å; R1816-R1819 PolarHBondContact O-N 2.83Å; R1816-L1820 HydrophobicContact CG-CD1 4.37Å; R1816-L1820 WeakPolarHBondContact O-CG 3.34Å; R1816-L1820 PolarHBondContact O-N 3.03Å |
| 1817 | A | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1805 E1808 F1809 D1813 V1814 R1819 L1820 L1821 | A1805-A1817 HydrophobicContact CB-CB 4.34Å; E1808-A1817 HydrophobicContact CB-CB 3.84Å; F1809-A1817 HydrophobicContact CD1-CB 4.46Å; F1809-A1817 HydrophobicContact CD2-CB 3.4Å; F1809-A1817 VanDerWaalsContact CD2-CB 3.4Å; F1809-A1817 HydrophobicContact CE1-CB 4.48Å; F1809-A1817 HydrophobicContact CE2-CB 3.38Å; F1809-A1817 HydrophobicContact CG-CB 3.95Å; F1809-A1817 HydrophobicContact CZ-CB 3.96Å; D1813-A1817 PolarHBondContact O-N 2.84Å; V1814-A1817 PolarHBondContact O-N 2.76Å; A1817-R1819 PolarHBondContact O-N 2.7Å; A1817-L1820 PolarHBondContact O-N 3.15Å; A1817-L1821 WeakPolarHBondContact O-CG 3.26Å; A1817-L1821 PolarHBondContact O-N 2.64Å; A1817-L1821 VanDerWaalsContact O-N 3.17Å |
| 1818 | I | 91.4 | Very high | 89.2 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 9% | 0.087 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.3 | -68.3 | 164.1 | 0 | 0 | 0 | 111.8 | F1809 V1814 R1816 L1820 L1821 Q1822 L1842 K1847 E1850 | F1809-I1818 HydrophobicContact CE1-CG1 4.44Å; F1809-I1818 HydrophobicContact CZ-CD1 4.5Å; F1809-I1818 HydrophobicContact CZ-CG1 3.79Å; V1814-I1818 HydrophobicContact CG1-CD1 4.16Å; V1814-I1818 WeakPolarHBondContact O-CG1 3.49Å; V1814-I1818 PolarHBondContact O-N 3.49Å; R1816-I1818 VanDerWaalsContact C-N 3.32Å; R1816-I1818 PolarHBondContact O-N 2.82Å; I1818-L1820 PolarHBondContact O-N 2.94Å; I1818-L1821 PolarHBondContact O-N 2.87Å; I1818-Q1822 HydrophobicContact CG2-CG 4.43Å; I1818-Q1822 WeakPolarHBondContact O-CG 3.15Å; I1818-Q1822 PolarHBondContact O-N 3.41Å; I1818-L1842 HydrophobicContact CG1-CD2 4.11Å; I1818-K1847 HydrophobicContact CD1-CG 4.45Å; I1818-E1850 HydrophobicContact CD1-CG 4.25Å |
| 1819 | R | 91.1 | Very high | 89 | Confident | 135 Ų | 135 | 54.9 Ų | 54.9 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 176.7 | -80.3 | 174.3 | -73.2 | 175.1 | -0.4 | 112.5 | D1813 D1815 R1816 A1817 L1821 Q1822 E1823 | D1813-R1819 IonicContact OD2-NH2 3.2Å; D1813-R1819 PolarHBondContact OD2-NH2 2.85Å; D1815-R1819 WeakPolarHBondContact O-CG 3.07Å; D1815-R1819 PolarHBondContact O-N 3.45Å; D1815-R1819 PolarHBondContact O-NE 2.69Å; R1816-R1819 PolarHBondContact O-N 2.83Å; A1817-R1819 PolarHBondContact O-N 2.7Å; R1819-L1821 PolarHBondContact O-N 2.93Å; R1819-Q1822 PolarHBondContact O-N 3.21Å; R1819-E1823 WeakPolarHBondContact O-CB 3.38Å; R1819-E1823 PolarHBondContact O-N 2.88Å |
| 1820 | L | 89.5 | Confident | 88.7 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 12% | 0.12 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 176.2 | -71.7 | 168.6 | 0 | 0 | 0 | 112.2 | V1804 R1816 A1817 I1818 Q1824 | V1804-L1820 HydrophobicContact CG1-CD1 3.74Å; R1816-L1820 HydrophobicContact CG-CD1 4.37Å; R1816-L1820 WeakPolarHBondContact O-CG 3.34Å; R1816-L1820 PolarHBondContact O-N 3.03Å; A1817-L1820 PolarHBondContact O-N 3.15Å; I1818-L1820 PolarHBondContact O-N 2.94Å; L1820-Q1824 WeakPolarHBondContact O-CG 3.26Å; L1820-Q1824 PolarHBondContact O-N 2.87Å |
| 1821 | L | 91.3 | Very high | 88.5 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 173.8 | -58.1 | -178 | 0 | 0 | 0 | 111.4 | A1805 F1809 A1817 I1818 R1819 E1823 Q1824 L1825 C1838 L1841 L1842 | A1805-L1821 HydrophobicContact CB-CD2 3.59Å; A1805-L1821 HydrophobicContact CB-CG 4.15Å; F1809-L1821 HydrophobicContact CE2-CD1 4.35Å; A1817-L1821 WeakPolarHBondContact O-CG 3.26Å; A1817-L1821 PolarHBondContact O-N 2.64Å; A1817-L1821 VanDerWaalsContact O-N 3.17Å; I1818-L1821 PolarHBondContact O-N 2.87Å; R1819-L1821 PolarHBondContact O-N 2.93Å; L1821-E1823 VanDerWaalsContact C-N 3.33Å; L1821-E1823 PolarHBondContact O-N 3.23Å; L1821-Q1824 PolarHBondContact O-N 3.09Å; L1821-L1825 VanDerWaalsContact O-CG 3.29Å; L1821-L1825 WeakPolarHBondContact O-CG 3.3Å; L1821-L1825 PolarHBondContact O-N 2.87Å; L1821-C1838 HydrophobicContact CD1-CB 4.45Å; L1821-L1841 HydrophobicContact CD1-CD2 3.53Å; L1821-L1841 HydrophobicContact CD2-CD2 4.21Å; L1821-L1841 HydrophobicContact CG-CD2 4.39Å; L1821-L1842 HydrophobicContact CD1-CD1 4.23Å; L1821-L1842 HydrophobicContact CD1-CD2 4.05Å; L1821-L1842 HydrophobicContact CD1-CG 3.95Å |
| 1822 | Q | 90.4 | Very high | 88.5 | Confident | 88 Ų | 88 | 62.8 Ų | 62.8 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 179.1 | -72.9 | 173.6 | -22.7 | 0 | 0 | 112.1 | I1818 R1819 L1825 T1826 | I1818-Q1822 HydrophobicContact CG2-CG 4.43Å; I1818-Q1822 WeakPolarHBondContact O-CG 3.15Å; I1818-Q1822 PolarHBondContact O-N 3.41Å; R1819-Q1822 PolarHBondContact O-N 3.21Å; Q1822-L1825 PolarHBondContact O-N 2.92Å; Q1822-T1826 PolarHBondContact O-N 2.84Å; Q1822-T1826 PolarHBondContact O-OG1 2.7Å |
| 1823 | E | 88.4 | Confident | 88.5 | Confident | 107 Ų | 107 | 67.3 Ų | 67.3 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 175.4 | -175.9 | 174 | -162.7 | 0 | 0 | 112.1 | R1819 L1821 T1826 V1827 | R1819-E1823 WeakPolarHBondContact O-CB 3.38Å; R1819-E1823 PolarHBondContact O-N 2.88Å; L1821-E1823 VanDerWaalsContact C-N 3.33Å; L1821-E1823 PolarHBondContact O-N 3.23Å; E1823-T1826 PolarHBondContact O-OG1 3.31Å; E1823-V1827 WeakPolarHBondContact O-CB 3.41Å; E1823-V1827 VanDerWaalsContact O-CG2 3.26Å; E1823-V1827 WeakPolarHBondContact O-CG2 3.15Å; E1823-V1827 PolarHBondContact O-N 3.48Å; E1823-V1827 VanDerWaalsContact O-N 3.16Å |
| 1824 | Q | 87 | Confident | 88.5 | Confident | 22 Ų | 22 | 65 Ų | 65 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.2 | -37.2 | 173.4 | -61.3 | -50.3 | -68.5 | 0 | 0 | 112.4 | P1798 A1801 L1820 L1821 T1826 V1827 H1828 L1834 | P1798-Q1824 VanDerWaalsContact CA-OE1 3.32Å; A1801-Q1824 HydrophobicContact CB-CG 3.39Å; L1820-Q1824 WeakPolarHBondContact O-CG 3.26Å; L1820-Q1824 PolarHBondContact O-N 2.87Å; L1821-Q1824 PolarHBondContact O-N 3.09Å; Q1824-T1826 VanDerWaalsContact C-N 3.35Å; Q1824-V1827 PolarHBondContact O-N 2.97Å; Q1824-H1828 PolarHBondContact O-N 3.42Å; Q1824-L1834 HydrophobicContact CB-CD1 4.03Å; Q1824-L1834 HydrophobicContact CB-CD2 3.87Å; Q1824-L1834 WeakPolarHBondContact O-CD2 3.24Å |
| 1825 | L | 89.3 | Confident | 88.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.1 | -28.5 | 179.8 | -69.6 | 167.9 | 0 | 0 | 0 | 112.9 | L1821 Q1822 P1829 L1834 Y1835 C1838 V1854 | L1821-L1825 VanDerWaalsContact O-CG 3.29Å; L1821-L1825 WeakPolarHBondContact O-CG 3.3Å; L1821-L1825 PolarHBondContact O-N 2.87Å; Q1822-L1825 PolarHBondContact O-N 2.92Å; L1825-P1829 WeakPolarHBondContact O-CA 3.49Å; L1825-L1834 HydrophobicContact CD2-CD2 4.01Å; L1825-L1834 HydrophobicContact CD2-CG 3.79Å; L1825-L1834 HydrophobicContact CG-CD2 4.47Å; L1825-L1834 HydrophobicContact CG-CG 4.43Å; L1825-Y1835 HydrophobicContact CD2-CD1 3.72Å; L1825-Y1835 HydrophobicContact CD2-CD2 3.85Å; L1825-Y1835 HydrophobicContact CD2-CE1 3.72Å; L1825-Y1835 HydrophobicContact CD2-CE2 3.82Å; L1825-Y1835 HydrophobicContact CD2-CG 3.81Å; L1825-C1838 HydrophobicContact CD1-CB 4.32Å; L1825-V1854 HydrophobicContact CD1-CB 4.47Å; L1825-V1854 HydrophobicContact CD1-CG1 3.78Å; L1825-V1854 HydrophobicContact CD1-CG2 3.84Å |
| 1826 | T | 88.2 | Confident | 88.5 | Confident | 97 Ų | 97 | 59.9 Ų | 59.9 | 60% | 0.595 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -78.8 | -33.2 | 171.8 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | Q1822 E1823 Q1824 | Q1822-T1826 PolarHBondContact O-N 2.84Å; Q1822-T1826 PolarHBondContact O-OG1 2.7Å; E1823-T1826 PolarHBondContact O-OG1 3.31Å; Q1824-T1826 VanDerWaalsContact C-N 3.35Å |
| 1827 | V | 85.6 | Confident | 88.4 | Confident | 90 Ų | 90 | 59.7 Ų | 59.7 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -76.8 | -31.2 | 175.8 | 174.7 | 0 | 0 | 0 | 0 | 112.6 | E1823 Q1824 P1829 | E1823-V1827 WeakPolarHBondContact O-CB 3.41Å; E1823-V1827 VanDerWaalsContact O-CG2 3.26Å; E1823-V1827 WeakPolarHBondContact O-CG2 3.15Å; E1823-V1827 PolarHBondContact O-N 3.48Å; E1823-V1827 VanDerWaalsContact O-N 3.16Å; Q1824-V1827 PolarHBondContact O-N 2.97Å; V1827-P1829 VanDerWaalsContact C-CD 3.44Å |
| 1828 | H | 84.6 | Confident | 88.3 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 29% | 0.287 | 29% | 0.285 | S | S | . | . | trans | -129.2 | 55.5 | -177.4 | -62.4 | -47.5 | 0 | 0 | 0 | 114.8 | P1798 Q1824 K1830 R1831 L1834 | P1798-H1828 VanDerWaalsContact CG-CD2 3.45Å; P1798-H1828 WeakPolarHBondContact CG-CD2 3.3Å; P1798-H1828 WeakPolarHBondContact CG-NE2 3.45Å; Q1824-H1828 PolarHBondContact O-N 3.42Å; H1828-K1830 PolarHBondContact O-N 3.35Å; H1828-R1831 HydrophobicContact CB-CB 4.33Å; H1828-R1831 PolarHBondContact O-N 2.94Å; H1828-L1834 HydrophobicContact CB-CD2 3.97Å | ||
| 1829 | P | 86.7 | Confident | 88.3 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 29% | 0.286 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.5 | -171.9 | 25.3 | -35.6 | 0 | 0 | 0 | 115.4 | L1825 V1827 Y1835 N1861 | L1825-P1829 WeakPolarHBondContact O-CA 3.49Å; V1827-P1829 VanDerWaalsContact C-CD 3.44Å; P1829-Y1835 VanDerWaalsContact O-CE2 3.3Å; P1829-Y1835 WeakPolarHBondContact O-CE2 3.33Å; P1829-Y1835 PolarHBondContact O-OH 3.4Å; P1829-N1861 HydrophobicContact CB-CB 4.37Å; P1829-N1861 WeakPolarHBondContact CB-ND2 3.45Å; P1829-N1861 VanDerWaalsContact O-CB 3.28Å; P1829-N1861 WeakPolarHBondContact O-CB 3.44Å |
| 1830 | K | 85.5 | Confident | 88.2 | Confident | 180 Ų | 180 | 55.7 Ų | 55.7 | 78% | 0.783 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 1.8 | -179 | -60.9 | -174.5 | -179.7 | 179.7 | 0 | 114.5 | H1828 K1832 | H1828-K1830 PolarHBondContact O-N 3.35Å; K1830-K1832 PolarHBondContact O-N 3.45Å |
| 1831 | R | 85.3 | Confident | 88.2 | Confident | 121 Ų | 121 | 54.8 Ų | 54.8 | 46% | 0.457 | 27% | 0.266 | S | S | . | . | trans | -97.4 | 90.2 | -168.9 | -164.5 | 172.3 | -172.1 | 173.4 | -0.6 | 111.9 | H1828 L1833 L1834 | H1828-R1831 HydrophobicContact CB-CB 4.33Å; H1828-R1831 PolarHBondContact O-N 2.94Å; R1831-L1833 VanDerWaalsContact C-N 3.32Å; R1831-L1833 PolarHBondContact O-N 2.83Å; R1831-L1833 VanDerWaalsContact O-N 3.14Å; R1831-L1834 HydrophobicContact CB-CB 4.24Å; R1831-L1834 HydrophobicContact CG-CB 4.4Å; R1831-L1834 VanDerWaalsContact O-CB 3.3Å; R1831-L1834 WeakPolarHBondContact O-CB 2.97Å; R1831-L1834 PolarHBondContact O-N 3.32Å | ||
| 1832 | K | 86.8 | Confident | 88.2 | Confident | 48 Ų | 48 | 54.7 Ų | 54.7 | 21% | 0.209 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -42.7 | -51.5 | -177.5 | -172 | -149 | -180 | -143.1 | 0 | 114 | K1830 L1834 Y1835 E1836 L1862 Q1866 T1869 | K1830-K1832 PolarHBondContact O-N 3.45Å; K1832-L1834 PolarHBondContact O-N 2.88Å; K1832-L1834 VanDerWaalsContact O-N 3.15Å; K1832-Y1835 WeakPolarHBondContact O-CB 3.46Å; K1832-Y1835 PolarHBondContact O-N 2.84Å; K1832-E1836 IonicContact NZ-OE2 3.47Å; K1832-E1836 PolarHBondContact NZ-OE2 2.98Å; K1832-E1836 PolarHBondContact O-N 2.92Å; K1832-L1862 HydrophobicContact CB-CD1 4.23Å; K1832-L1862 HydrophobicContact CG-CD1 4.19Å; K1832-Q1866 HydrophobicContact CD-CB 4.33Å; K1832-Q1866 WeakPolarHBondContact CE-O 3.5Å; K1832-Q1866 HydrophobicContact CG-CB 4.16Å; K1832-T1869 WeakPolarHBondContact CE-OG1 3.44Å; K1832-T1869 PolarHBondContact NZ-OG1 3.1Å |
| 1833 | L | 86.1 | Confident | 88.2 | Confident | 120 Ų | 120 | 52.9 Ų | 52.9 | 63% | 0.628 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -57.3 | -29.6 | -177.9 | -69.4 | 169.2 | 0 | 0 | 0 | 113.5 | R1831 E1837 | R1831-L1833 VanDerWaalsContact C-N 3.32Å; R1831-L1833 PolarHBondContact O-N 2.83Å; R1831-L1833 VanDerWaalsContact O-N 3.14Å; L1833-E1837 WeakPolarHBondContact O-CB 3.49Å; L1833-E1837 PolarHBondContact O-N 3.04Å |
| 1834 | L | 89.2 | Confident | 88.1 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.9 | -44.4 | 176 | -179.6 | 62.2 | 0 | 0 | 0 | 111 | I1802 Q1824 L1825 H1828 R1831 K1832 C1838 | I1802-L1834 HydrophobicContact CD1-CD1 3.78Å; I1802-L1834 HydrophobicContact CG1-CD1 4.07Å; Q1824-L1834 HydrophobicContact CB-CD1 4.03Å; Q1824-L1834 HydrophobicContact CB-CD2 3.87Å; Q1824-L1834 WeakPolarHBondContact O-CD2 3.24Å; L1825-L1834 HydrophobicContact CD2-CD2 4.01Å; L1825-L1834 HydrophobicContact CD2-CG 3.79Å; L1825-L1834 HydrophobicContact CG-CD2 4.47Å; L1825-L1834 HydrophobicContact CG-CG 4.43Å; H1828-L1834 HydrophobicContact CB-CD2 3.97Å; R1831-L1834 HydrophobicContact CB-CB 4.24Å; R1831-L1834 HydrophobicContact CG-CB 4.4Å; R1831-L1834 VanDerWaalsContact O-CB 3.3Å; R1831-L1834 WeakPolarHBondContact O-CB 2.97Å; R1831-L1834 PolarHBondContact O-N 3.32Å; K1832-L1834 PolarHBondContact O-N 2.88Å; K1832-L1834 VanDerWaalsContact O-N 3.15Å; L1834-C1838 VanDerWaalsContact O-CB 3.22Å; L1834-C1838 WeakPolarHBondContact O-CB 3.41Å; L1834-C1838 PolarHBondContact O-N 2.79Å; L1834-C1838 PolarHBondContact O-SG 2.95Å |
| 1835 | Y | 91 | Very high | 88.1 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 173 | -75.3 | -90.2 | 0 | 0 | 0 | 111.7 | L1825 P1829 K1832 E1837 C1838 I1839 V1854 Q1857 A1858 N1861 L1862 | L1825-Y1835 HydrophobicContact CD2-CD1 3.72Å; L1825-Y1835 HydrophobicContact CD2-CD2 3.85Å; L1825-Y1835 HydrophobicContact CD2-CE1 3.72Å; L1825-Y1835 HydrophobicContact CD2-CE2 3.82Å; L1825-Y1835 HydrophobicContact CD2-CG 3.81Å; P1829-Y1835 VanDerWaalsContact O-CE2 3.3Å; P1829-Y1835 WeakPolarHBondContact O-CE2 3.33Å; P1829-Y1835 PolarHBondContact O-OH 3.4Å; K1832-Y1835 WeakPolarHBondContact O-CB 3.46Å; K1832-Y1835 PolarHBondContact O-N 2.84Å; Y1835-E1837 PolarHBondContact O-N 2.94Å; Y1835-C1838 PolarHBondContact O-N 3.15Å; Y1835-I1839 WeakPolarHBondContact O-CB 3.1Å; Y1835-I1839 VanDerWaalsContact O-CG1 3.23Å; Y1835-I1839 WeakPolarHBondContact O-CG1 3.45Å; Y1835-I1839 PolarHBondContact O-N 2.92Å; Y1835-V1854 HydrophobicContact CD1-CG1 3.71Å; Y1835-V1854 HydrophobicContact CE1-CG1 4.31Å; Y1835-Q1857 HydrophobicContact CE1-CB 4.16Å; Y1835-Q1857 HydrophobicContact CE1-CG 4.19Å; Y1835-A1858 HydrophobicContact CD1-CB 3.39Å; Y1835-A1858 HydrophobicContact CE1-CB 3.77Å; Y1835-A1858 HydrophobicContact CG-CB 3.87Å; Y1835-N1861 PolarHBondContact OH-ND2 2.82Å; Y1835-L1862 HydrophobicContact CD2-CD1 3.99Å; Y1835-L1862 HydrophobicContact CD2-CD2 4.36Å; Y1835-L1862 HydrophobicContact CD2-CG 4.35Å; Y1835-L1862 HydrophobicContact CE2-CD2 4.38Å; Y1835-L1862 HydrophobicContact CE2-CG 4.46Å; Y1835-L1862 HydrophobicContact CG-CD1 4.25Å |
| 1836 | E | 89.1 | Confident | 88 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 15% | 0.15 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58 | -49.1 | 179.6 | -155 | -176.2 | 116.1 | 0 | 0 | 111.5 | K1832 I1839 K1840 L1870 L1873 | K1832-E1836 IonicContact NZ-OE2 3.47Å; K1832-E1836 PolarHBondContact NZ-OE2 2.98Å; K1832-E1836 PolarHBondContact O-N 2.92Å; E1836-I1839 PolarHBondContact O-N 3.29Å; E1836-K1840 WeakPolarHBondContact O-CG 3.23Å; E1836-K1840 PolarHBondContact O-N 3.19Å; E1836-K1840 IonicContact OE1-NZ 2.86Å; E1836-K1840 PolarHBondContact OE1-NZ 2.69Å; E1836-L1870 HydrophobicContact CB-CD2 3.67Å; E1836-L1870 HydrophobicContact CG-CD2 3.79Å; E1836-L1873 HydrophobicContact CG-CD1 3.89Å |
| 1837 | E | 88.2 | Confident | 88 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75.3 | -33.6 | -177.9 | -153 | 71.1 | 172.4 | 0 | 0 | 112.6 | I1802 R1806 L1833 Y1835 K1840 L1841 | I1802-E1837 HydrophobicContact CD1-CB 4.34Å; I1802-E1837 HydrophobicContact CD1-CG 4.43Å; I1802-E1837 HydrophobicContact CG2-CG 4.06Å; R1806-E1837 IonicContact CZ-OE1 2.62Å; R1806-E1837 IonicContact NH1-OE1 3.29Å; R1806-E1837 IonicContact NH2-OE1 3.94Å; R1806-E1837 PolarHBondContact NH2-OE1 3.33Å; L1833-E1837 WeakPolarHBondContact O-CB 3.49Å; L1833-E1837 PolarHBondContact O-N 3.04Å; Y1835-E1837 PolarHBondContact O-N 2.94Å; E1837-K1840 WeakPolarHBondContact OE2-CD 3.33Å; E1837-K1840 IonicContact OE2-NZ 3.16Å; E1837-L1841 WeakPolarHBondContact O-CB 2.81Å; E1837-L1841 PolarHBondContact O-N 3.08Å |
| 1838 | C | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 169.5 | -75.5 | 0 | 0 | 0 | 0 | 111.9 | L1821 L1825 L1834 Y1835 L1841 L1842 V1854 | L1821-C1838 HydrophobicContact CD1-CB 4.45Å; L1825-C1838 HydrophobicContact CD1-CB 4.32Å; L1834-C1838 VanDerWaalsContact O-CB 3.22Å; L1834-C1838 WeakPolarHBondContact O-CB 3.41Å; L1834-C1838 PolarHBondContact O-N 2.79Å; L1834-C1838 PolarHBondContact O-SG 2.95Å; Y1835-C1838 PolarHBondContact O-N 3.15Å; C1838-L1841 PolarHBondContact O-N 3.27Å; C1838-L1842 WeakPolarHBondContact O-CB 3.29Å; C1838-L1842 WeakPolarHBondContact O-CD1 3.46Å; C1838-L1842 WeakPolarHBondContact O-CG 3.33Å; C1838-L1842 PolarHBondContact O-N 3.36Å; C1838-V1854 HydrophobicContact CB-CG1 4.26Å |
| 1839 | I | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.4 | -51.7 | 179.9 | -74.3 | 166.9 | 0 | 0 | 0 | 110.3 | Y1835 E1836 L1841 L1842 I1843 V1854 Q1855 L1870 L1873 F1874 | Y1835-I1839 WeakPolarHBondContact O-CB 3.1Å; Y1835-I1839 VanDerWaalsContact O-CG1 3.23Å; Y1835-I1839 WeakPolarHBondContact O-CG1 3.45Å; Y1835-I1839 PolarHBondContact O-N 2.92Å; E1836-I1839 PolarHBondContact O-N 3.29Å; I1839-L1841 VanDerWaalsContact C-N 3.3Å; I1839-L1841 PolarHBondContact O-N 2.9Å; I1839-L1842 PolarHBondContact O-N 3.45Å; I1839-I1843 HydrophobicContact CG2-CD1 3.61Å; I1839-I1843 HydrophobicContact CG2-CG1 4.36Å; I1839-I1843 VanDerWaalsContact O-CG1 3.28Å; I1839-I1843 WeakPolarHBondContact O-CG1 3.05Å; I1839-I1843 PolarHBondContact O-N 2.85Å; I1839-V1854 HydrophobicContact CD1-CG1 4.19Å; I1839-V1854 HydrophobicContact CG1-CB 4.24Å; I1839-V1854 HydrophobicContact CG1-CG1 3.77Å; I1839-Q1855 HydrophobicContact CD1-CB 4.31Å; I1839-L1870 HydrophobicContact CD1-CB 4.45Å; I1839-L1870 HydrophobicContact CD1-CD2 4.47Å; I1839-L1873 HydrophobicContact CB-CD1 4.22Å; I1839-L1873 HydrophobicContact CG2-CB 4.25Å; I1839-L1873 HydrophobicContact CG2-CD1 3.79Å; I1839-F1874 HydrophobicContact CD1-CE2 4.39Å; I1839-F1874 HydrophobicContact CG2-CE1 4.41Å; I1839-F1874 HydrophobicContact CG2-CE2 3.68Å; I1839-F1874 HydrophobicContact CG2-CZ 3.58Å |
| 1840 | K | 89.1 | Confident | 88.5 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 30% | 0.296 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -51.3 | -49.9 | 175.1 | -72.5 | 167.7 | -174.5 | 165.4 | 0 | 111.4 | E1836 E1837 L1842 I1843 M1844 L1873 | E1836-K1840 WeakPolarHBondContact O-CG 3.23Å; E1836-K1840 PolarHBondContact O-N 3.19Å; E1836-K1840 IonicContact OE1-NZ 2.86Å; E1836-K1840 PolarHBondContact OE1-NZ 2.69Å; E1837-K1840 WeakPolarHBondContact OE2-CD 3.33Å; E1837-K1840 IonicContact OE2-NZ 3.16Å; K1840-L1842 PolarHBondContact O-N 2.78Å; K1840-I1843 PolarHBondContact O-N 2.93Å; K1840-M1844 WeakPolarHBondContact O-CB 3.13Å; K1840-M1844 VanDerWaalsContact O-CG 3.26Å; K1840-M1844 WeakPolarHBondContact O-CG 3.03Å; K1840-M1844 PolarHBondContact O-N 3.09Å; K1840-L1873 HydrophobicContact CG-CD1 4.26Å; K1840-L1873 HydrophobicContact CG-CD2 4.23Å |
| 1841 | L | 89.9 | Confident | 88.7 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.2 | -36 | -177.4 | -178.3 | 134.7 | 0 | 0 | 0 | 113.6 | I1802 R1806 F1809 L1821 E1837 C1838 I1839 N1845 | I1802-L1841 HydrophobicContact CG2-CD1 4.41Å; R1806-L1841 HydrophobicContact CB-CD1 4.4Å; R1806-L1841 HydrophobicContact CG-CD1 3.24Å; F1809-L1841 HydrophobicContact CD2-CD2 3.66Å; F1809-L1841 HydrophobicContact CE2-CD2 3.37Å; F1809-L1841 HydrophobicContact CZ-CD2 4.31Å; L1821-L1841 HydrophobicContact CD1-CD2 3.53Å; L1821-L1841 HydrophobicContact CD2-CD2 4.21Å; L1821-L1841 HydrophobicContact CG-CD2 4.39Å; E1837-L1841 WeakPolarHBondContact O-CB 2.81Å; E1837-L1841 PolarHBondContact O-N 3.08Å; C1838-L1841 PolarHBondContact O-N 3.27Å; I1839-L1841 VanDerWaalsContact C-N 3.3Å; I1839-L1841 PolarHBondContact O-N 2.9Å; L1841-N1845 PolarHBondContact O-N 3.12Å; L1841-N1845 PolarHBondContact O-ND2 2.77Å |
| 1842 | L | 91.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71 | -40.4 | 173.9 | -71.6 | 167.4 | 0 | 0 | 0 | 111.6 | F1809 I1818 L1821 C1838 I1839 K1840 N1845 G1846 K1847 E1850 A1851 V1854 | F1809-L1842 HydrophobicContact CZ-CD2 3.83Å; I1818-L1842 HydrophobicContact CG1-CD2 4.11Å; L1821-L1842 HydrophobicContact CD1-CD1 4.23Å; L1821-L1842 HydrophobicContact CD1-CD2 4.05Å; L1821-L1842 HydrophobicContact CD1-CG 3.95Å; C1838-L1842 WeakPolarHBondContact O-CB 3.29Å; C1838-L1842 WeakPolarHBondContact O-CD1 3.46Å; C1838-L1842 WeakPolarHBondContact O-CG 3.33Å; C1838-L1842 PolarHBondContact O-N 3.36Å; I1839-L1842 PolarHBondContact O-N 3.45Å; K1840-L1842 PolarHBondContact O-N 2.78Å; L1842-N1845 CarbonylContact O-C 3.57Å; L1842-N1845 PolarHBondContact O-N 3.03Å; L1842-G1846 PolarHBondContact O-N 3.47Å; L1842-K1847 HydrophobicContact CB-CB 4.16Å; L1842-K1847 HydrophobicContact CD2-CB 3.79Å; L1842-K1847 HydrophobicContact CD2-CG 4.3Å; L1842-K1847 WeakPolarHBondContact O-CA 3.3Å; L1842-K1847 WeakPolarHBondContact O-CB 3.32Å; L1842-K1847 PolarHBondContact O-N 3.14Å; L1842-E1850 HydrophobicContact CD1-CB 4.2Å; L1842-E1850 HydrophobicContact CD2-CB 4.13Å; L1842-A1851 HydrophobicContact CB-CB 3.9Å; L1842-V1854 HydrophobicContact CD1-CG2 3.95Å |
| 1843 | I | 89.2 | Confident | 89 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 26% | 0.256 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -49.9 | 174.7 | -67.5 | 169.2 | 0 | 0 | 0 | 110.6 | I1839 K1840 N1845 G1846 M1848 A1851 F1874 | I1839-I1843 HydrophobicContact CG2-CD1 3.61Å; I1839-I1843 HydrophobicContact CG2-CG1 4.36Å; I1839-I1843 VanDerWaalsContact O-CG1 3.28Å; I1839-I1843 WeakPolarHBondContact O-CG1 3.05Å; I1839-I1843 PolarHBondContact O-N 2.85Å; K1840-I1843 PolarHBondContact O-N 2.93Å; I1843-N1845 PolarHBondContact O-N 3.01Å; I1843-N1845 VanDerWaalsContact O-N 3.15Å; I1843-G1846 PolarHBondContact O-N 2.82Å; I1843-M1848 HydrophobicContact CB-SD 4.26Å; I1843-M1848 HydrophobicContact CG1-SD 3.88Å; I1843-M1848 HydrophobicContact CG2-SD 4.09Å; I1843-A1851 HydrophobicContact CG1-CB 4.02Å; I1843-F1874 HydrophobicContact CD1-CD1 3.99Å; I1843-F1874 HydrophobicContact CD1-CE1 3.83Å; I1843-F1874 HydrophobicContact CD1-CZ 4.24Å; I1843-F1874 HydrophobicContact CG1-CE1 4.18Å |
| 1844 | M | 87.1 | Confident | 89.1 | Confident | 159 Ų | 159 | 51.3 Ų | 51.3 | 78% | 0.783 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -57.3 | -29.5 | 178 | -71.3 | 173.5 | 77.5 | 0 | 0 | 113.3 | K1840 | K1840-M1844 WeakPolarHBondContact O-CB 3.13Å; K1840-M1844 VanDerWaalsContact O-CG 3.26Å; K1840-M1844 WeakPolarHBondContact O-CG 3.03Å; K1840-M1844 PolarHBondContact O-N 3.09Å |
| 1845 | N | 86.6 | Confident | 89.1 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 15 | 177 | -72.4 | -81.2 | 0 | 0 | 0 | 113.5 | F1809 L1841 L1842 I1843 K1847 | F1809-N1845 HydrophobicContact CD1-CB 3.68Å; F1809-N1845 HydrophobicContact CE1-CB 3.86Å; F1809-N1845 HydrophobicContact CG-CB 4.32Å; L1841-N1845 PolarHBondContact O-N 3.12Å; L1841-N1845 PolarHBondContact O-ND2 2.77Å; L1842-N1845 CarbonylContact O-C 3.57Å; L1842-N1845 PolarHBondContact O-N 3.03Å; I1843-N1845 PolarHBondContact O-N 3.01Å; I1843-N1845 VanDerWaalsContact O-N 3.15Å; N1845-K1847 PolarHBondContact O-N 3.25Å |
| 1846 | G | 86.7 | Confident | 88.9 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 10.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1842 I1843 M1848 | L1842-G1846 PolarHBondContact O-N 3.47Å; I1843-G1846 PolarHBondContact O-N 2.82Å; G1846-M1848 PolarHBondContact O-N 3.37Å |
| 1847 | K | 88.7 | Confident | 88.9 | Confident | 45 Ų | 45 | 59 Ų | 59 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | trans | -84.8 | 55.3 | -178.3 | -65.4 | -44.9 | -152.7 | 87.4 | 0 | 112.3 | F1809 I1818 L1842 N1845 K1849 E1850 A1851 | F1809-K1847 HydrophobicContact CE1-CG 4.12Å; I1818-K1847 HydrophobicContact CD1-CG 4.45Å; L1842-K1847 HydrophobicContact CB-CB 4.16Å; L1842-K1847 HydrophobicContact CD2-CB 3.79Å; L1842-K1847 HydrophobicContact CD2-CG 4.3Å; L1842-K1847 WeakPolarHBondContact O-CA 3.3Å; L1842-K1847 WeakPolarHBondContact O-CB 3.32Å; L1842-K1847 PolarHBondContact O-N 3.14Å; N1845-K1847 PolarHBondContact O-N 3.25Å; K1847-K1849 VanDerWaalsContact C-N 3.26Å; K1847-K1849 PolarHBondContact O-N 2.98Å; K1847-E1850 HydrophobicContact CB-CB 4.23Å; K1847-E1850 HydrophobicContact CB-CG 4.46Å; K1847-E1850 WeakPolarHBondContact CD-OE1 3.4Å; K1847-E1850 IonicContact NZ-OE1 3.95Å; K1847-E1850 PolarHBondContact NZ-OE1 3.3Å; K1847-E1850 PolarHBondContact O-N 2.97Å; K1847-A1851 WeakPolarHBondContact O-CB 3.39Å; K1847-A1851 PolarHBondContact O-N 2.97Å | ||
| 1848 | M | 88.5 | Confident | 88.8 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 37% | 0.365 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62 | -26.8 | -175.9 | -65.1 | -58.8 | -70.7 | 0 | 0 | 114.2 | I1843 G1846 R1852 F1874 | I1843-M1848 HydrophobicContact CB-SD 4.26Å; I1843-M1848 HydrophobicContact CG1-SD 3.88Å; I1843-M1848 HydrophobicContact CG2-SD 4.09Å; G1846-M1848 PolarHBondContact O-N 3.37Å; M1848-R1852 WeakPolarHBondContact O-CG 3.36Å; M1848-R1852 PolarHBondContact O-N 3.24Å; M1848-F1874 HydrophobicContact CE-CD1 4.05Å; M1848-F1874 HydrophobicContact CE-CE1 4.36Å |
| 1849 | K | 89 | Confident | 88.6 | Confident | 175 Ų | 175 | 60.9 Ų | 60.9 | 76% | 0.761 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -73 | -47.6 | 177.1 | -67 | -174.4 | 176.7 | -173.2 | 0 | 110.6 | K1847 A1851 R1852 T1853 | K1847-K1849 VanDerWaalsContact C-N 3.26Å; K1847-K1849 PolarHBondContact O-N 2.98Å; K1849-A1851 VanDerWaalsContact C-N 3.35Å; K1849-R1852 PolarHBondContact O-N 2.74Å; K1849-T1853 PolarHBondContact O-N 3.27Å |
| 1850 | E | 89.1 | Confident | 88.4 | Confident | 47 Ų | 47 | 69.2 Ų | 69.2 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 177.9 | -58.1 | 93.3 | 138.8 | 0 | 0 | 111.1 | I1818 L1842 K1847 R1852 T1853 V1854 | I1818-E1850 HydrophobicContact CD1-CG 4.25Å; L1842-E1850 HydrophobicContact CD1-CB 4.2Å; L1842-E1850 HydrophobicContact CD2-CB 4.13Å; K1847-E1850 HydrophobicContact CB-CB 4.23Å; K1847-E1850 HydrophobicContact CB-CG 4.46Å; K1847-E1850 WeakPolarHBondContact CD-OE1 3.4Å; K1847-E1850 IonicContact NZ-OE1 3.95Å; K1847-E1850 PolarHBondContact NZ-OE1 3.3Å; K1847-E1850 PolarHBondContact O-N 2.97Å; E1850-R1852 PolarHBondContact O-N 3.2Å; E1850-T1853 WeakPolarHBondContact CA-OG1 3.34Å; E1850-T1853 PolarHBondContact O-N 2.94Å; E1850-T1853 PolarHBondContact O-OG1 2.98Å; E1850-V1854 WeakPolarHBondContact O-CG2 3.41Å; E1850-V1854 PolarHBondContact O-N 3.14Å |
| 1851 | A | 89.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.4 | -44 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | L1842 I1843 K1847 K1849 V1854 Q1855 F1874 | L1842-A1851 HydrophobicContact CB-CB 3.9Å; I1843-A1851 HydrophobicContact CG1-CB 4.02Å; K1847-A1851 WeakPolarHBondContact O-CB 3.39Å; K1847-A1851 PolarHBondContact O-N 2.97Å; K1849-A1851 VanDerWaalsContact C-N 3.35Å; A1851-V1854 PolarHBondContact O-N 3.13Å; A1851-Q1855 PolarHBondContact O-N 2.86Å; A1851-F1874 HydrophobicContact CB-CE1 3.85Å; A1851-F1874 HydrophobicContact CB-CZ 3.95Å |
| 1852 | R | 88.9 | Confident | 88.1 | Confident | 150 Ų | 150 | 69.7 Ų | 69.7 | 57% | 0.566 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.7 | -31.8 | 176.4 | -75.2 | -176.5 | 178.8 | -165.2 | -0 | 113.6 | M1848 K1849 E1850 Q1855 Q1856 F1874 | M1848-R1852 WeakPolarHBondContact O-CG 3.36Å; M1848-R1852 PolarHBondContact O-N 3.24Å; K1849-R1852 PolarHBondContact O-N 2.74Å; E1850-R1852 PolarHBondContact O-N 3.2Å; R1852-Q1855 WeakPolarHBondContact O-CB 3.44Å; R1852-Q1855 PolarHBondContact O-N 2.81Å; R1852-Q1856 WeakPolarHBondContact O-CG 3.32Å; R1852-Q1856 PolarHBondContact O-N 2.86Å; R1852-F1874 HydrophobicContact CG-CE1 4.15Å |
| 1853 | T | 90.1 | Very high | 87.7 | Confident | 76 Ų | 76 | 76.9 Ų | 76.9 | 47% | 0.466 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.7 | -34.5 | 172.6 | 56 | 0 | 0 | 0 | 0 | 112 | K1849 E1850 Q1856 Q1857 | K1849-T1853 PolarHBondContact O-N 3.27Å; E1850-T1853 WeakPolarHBondContact CA-OG1 3.34Å; E1850-T1853 PolarHBondContact O-N 2.94Å; E1850-T1853 PolarHBondContact O-OG1 2.98Å; T1853-Q1856 PolarHBondContact O-N 3.14Å; T1853-Q1857 WeakPolarHBondContact O-CB 3.33Å; T1853-Q1857 PolarHBondContact O-N 2.97Å |
| 1854 | V | 88.8 | Confident | 87.2 | Confident | 5 Ų | 5 | 79.5 Ų | 79.5 | 3% | 0.03 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 171.4 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | L1825 Y1835 C1838 I1839 L1842 E1850 A1851 Q1857 A1858 | L1825-V1854 HydrophobicContact CD1-CB 4.47Å; L1825-V1854 HydrophobicContact CD1-CG1 3.78Å; L1825-V1854 HydrophobicContact CD1-CG2 3.84Å; Y1835-V1854 HydrophobicContact CD1-CG1 3.71Å; Y1835-V1854 HydrophobicContact CE1-CG1 4.31Å; C1838-V1854 HydrophobicContact CB-CG1 4.26Å; I1839-V1854 HydrophobicContact CD1-CG1 4.19Å; I1839-V1854 HydrophobicContact CG1-CB 4.24Å; I1839-V1854 HydrophobicContact CG1-CG1 3.77Å; L1842-V1854 HydrophobicContact CD1-CG2 3.95Å; E1850-V1854 WeakPolarHBondContact O-CG2 3.41Å; E1850-V1854 PolarHBondContact O-N 3.14Å; A1851-V1854 PolarHBondContact O-N 3.13Å; V1854-Q1857 PolarHBondContact O-N 3Å; V1854-A1858 PolarHBondContact O-N 3.1Å |
| 1855 | Q | 88 | Confident | 86.8 | Confident | 30 Ų | 30 | 77.8 Ų | 77.8 | 14% | 0.14 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.2 | -51.7 | 171.5 | -176.5 | -172.8 | 12.9 | 0 | 0 | 111.6 | I1839 A1851 R1852 Q1857 A1858 E1859 N1871 F1874 | I1839-Q1855 HydrophobicContact CD1-CB 4.31Å; A1851-Q1855 PolarHBondContact O-N 2.86Å; R1852-Q1855 WeakPolarHBondContact O-CB 3.44Å; R1852-Q1855 PolarHBondContact O-N 2.81Å; Q1855-Q1857 PolarHBondContact O-N 3.12Å; Q1855-A1858 WeakPolarHBondContact O-CA 3.27Å; Q1855-A1858 WeakPolarHBondContact O-CB 3.49Å; Q1855-A1858 PolarHBondContact O-N 2.71Å; Q1855-E1859 WeakPolarHBondContact O-CG 3.37Å; Q1855-E1859 PolarHBondContact O-N 3.3Å; Q1855-N1871 PolarHBondContact NE2-OD1 3.38Å; Q1855-F1874 HydrophobicContact CB-CE2 4.02Å; Q1855-F1874 HydrophobicContact CB-CZ 4.19Å; Q1855-F1874 HydrophobicContact CG-CE2 3.98Å |
| 1856 | Q | 87.9 | Confident | 86.5 | Confident | 114 Ų | 114 | 77.6 Ų | 77.6 | 53% | 0.533 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.3 | -26.9 | 176.8 | -71.6 | 177.2 | -12.1 | 0 | 0 | 113.7 | R1852 T1853 K1860 | R1852-Q1856 WeakPolarHBondContact O-CG 3.32Å; R1852-Q1856 PolarHBondContact O-N 2.86Å; T1853-Q1856 PolarHBondContact O-N 3.14Å; Q1856-K1860 WeakPolarHBondContact O-CG 3.48Å |
| 1857 | Q | 87.8 | Confident | 86.1 | Confident | 56 Ų | 56 | 75.4 Ų | 75.4 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -76.5 | -31.2 | 171.4 | -168.9 | -176.3 | -5.1 | 0 | 0 | 111.6 | Y1835 T1853 V1854 Q1855 N1861 | Y1835-Q1857 HydrophobicContact CE1-CB 4.16Å; Y1835-Q1857 HydrophobicContact CE1-CG 4.19Å; T1853-Q1857 WeakPolarHBondContact O-CB 3.33Å; T1853-Q1857 PolarHBondContact O-N 2.97Å; V1854-Q1857 PolarHBondContact O-N 3Å; Q1855-Q1857 PolarHBondContact O-N 3.12Å; Q1857-N1861 WeakPolarHBondContact O-CB 3.45Å; Q1857-N1861 VanDerWaalsContact O-CG 3.28Å; Q1857-N1861 PolarHBondContact O-N 3.08Å; Q1857-N1861 PolarHBondContact O-ND2 3.42Å |
| 1858 | A | 87.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.008 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.6 | -45.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y1835 V1854 Q1855 K1860 N1861 L1862 L1870 | Y1835-A1858 HydrophobicContact CD1-CB 3.39Å; Y1835-A1858 HydrophobicContact CE1-CB 3.77Å; Y1835-A1858 HydrophobicContact CG-CB 3.87Å; V1854-A1858 PolarHBondContact O-N 3.1Å; Q1855-A1858 WeakPolarHBondContact O-CA 3.27Å; Q1855-A1858 WeakPolarHBondContact O-CB 3.49Å; Q1855-A1858 PolarHBondContact O-N 2.71Å; A1858-K1860 PolarHBondContact O-N 2.99Å; A1858-K1860 VanDerWaalsContact O-N 3.17Å; A1858-N1861 PolarHBondContact O-N 2.86Å; A1858-L1862 HydrophobicContact CB-CD1 4.04Å; A1858-L1862 WeakPolarHBondContact O-CB 3.18Å; A1858-L1862 PolarHBondContact O-N 2.9Å; A1858-L1870 HydrophobicContact CB-CD1 3.58Å |
| 1859 | E | 85.7 | Confident | 85 | Confident | 95 Ų | 95 | 77 Ų | 77 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.8 | -26.4 | 177.4 | -70.3 | 172.8 | 154.8 | 0 | 0 | 113.4 | Q1855 | Q1855-E1859 WeakPolarHBondContact O-CG 3.37Å; Q1855-E1859 PolarHBondContact O-N 3.3Å |
| 1860 | K | 86.9 | Confident | 84.6 | Confident | 176 Ų | 176 | 68.7 Ų | 68.7 | 77% | 0.765 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -87.7 | -22.4 | 176.3 | -69.2 | 175.8 | -177.2 | -178.5 | 0 | 114.3 | Q1856 A1858 | Q1856-K1860 WeakPolarHBondContact O-CG 3.48Å; A1858-K1860 PolarHBondContact O-N 2.99Å; A1858-K1860 VanDerWaalsContact O-N 3.17Å |
| 1861 | N | 86.5 | Confident | 84 | Confident | 64 Ų | 64 | 68.7 Ų | 68.7 | 34% | 0.342 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -116.3 | -20.6 | -167.5 | -67.8 | -6.6 | 0 | 0 | 0 | 114.5 | P1829 Y1835 Q1857 A1858 | P1829-N1861 HydrophobicContact CB-CB 4.37Å; P1829-N1861 WeakPolarHBondContact CB-ND2 3.45Å; P1829-N1861 VanDerWaalsContact O-CB 3.28Å; P1829-N1861 WeakPolarHBondContact O-CB 3.44Å; Y1835-N1861 PolarHBondContact OH-ND2 2.82Å; Q1857-N1861 WeakPolarHBondContact O-CB 3.45Å; Q1857-N1861 VanDerWaalsContact O-CG 3.28Å; Q1857-N1861 PolarHBondContact O-N 3.08Å; Q1857-N1861 PolarHBondContact O-ND2 3.42Å; A1858-N1861 PolarHBondContact O-N 2.86Å |
| 1862 | L | 85.6 | Confident | 83.5 | Confident | 18 Ų | 18 | 71.5 Ų | 71.5 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -105.6 | 166.5 | 179.8 | -58.1 | -179.1 | 0 | 0 | 0 | 111.1 | K1832 Y1835 A1858 Q1866 L1870 | K1832-L1862 HydrophobicContact CB-CD1 4.23Å; K1832-L1862 HydrophobicContact CG-CD1 4.19Å; Y1835-L1862 HydrophobicContact CD2-CD1 3.99Å; Y1835-L1862 HydrophobicContact CD2-CD2 4.36Å; Y1835-L1862 HydrophobicContact CD2-CG 4.35Å; Y1835-L1862 HydrophobicContact CE2-CD2 4.38Å; Y1835-L1862 HydrophobicContact CE2-CG 4.46Å; Y1835-L1862 HydrophobicContact CG-CD1 4.25Å; A1858-L1862 HydrophobicContact CB-CD1 4.04Å; A1858-L1862 WeakPolarHBondContact O-CB 3.18Å; A1858-L1862 PolarHBondContact O-N 2.9Å; L1862-Q1866 HydrophobicContact CB-CB 4.19Å; L1862-Q1866 HydrophobicContact CD1-CB 4.5Å; L1862-L1870 HydrophobicContact CD1-CD1 3.65Å |
| 1863 | K | 83.1 | Confident | 83 | Confident | 154 Ų | 154 | 66.7 Ų | 66.7 | 67% | 0.67 | 35% | 0.353 | S | S | * | . | trans | -74 | 147.8 | 173.1 | -64.5 | -174 | 177.4 | -174.4 | 0 | 110 | V1865 Q1866 C1867 | K1863-V1865 PolarHBondContact O-N 3.01Å; K1863-V1865 VanDerWaalsContact O-N 3.09Å; K1863-Q1866 HydrophobicContact CB-CG 4.39Å; K1863-Q1866 WeakPolarHBondContact O-CA 3.41Å; K1863-Q1866 VanDerWaalsContact O-CB 3.31Å; K1863-Q1866 WeakPolarHBondContact O-CB 3.29Å; K1863-Q1866 PolarHBondContact O-N 2.82Å; K1863-C1867 PolarHBondContact O-N 3.25Å; K1863-C1867 PolarHBondContact O-SG 2.81Å | ||
| 1864 | P | 78.9 | Confident | 82.5 | Confident | 105 Ų | 105 | 64.9 Ų | 64.9 | 68% | 0.682 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -51.6 | -38.8 | -179.3 | -30.1 | 35.9 | 0 | 0 | 0 | 114.7 | Q1866 C1867 T1868 | P1864-Q1866 PolarHBondContact O-N 2.87Å; P1864-C1867 WeakPolarHBondContact O-CB 3.38Å; P1864-C1867 PolarHBondContact O-N 3.22Å; P1864-T1868 PolarHBondContact O-N 2.75Å |
| 1865 | V | 79.1 | Confident | 81.5 | Confident | 122 Ų | 122 | 71.9 Ų | 71.9 | 74% | 0.739 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.3 | -21.8 | 176.5 | -170.9 | 0 | 0 | 0 | 0 | 113.2 | K1863 T1868 | K1863-V1865 PolarHBondContact O-N 3.01Å; K1863-V1865 VanDerWaalsContact O-N 3.09Å; V1865-T1868 PolarHBondContact O-OG1 3.03Å; V1865-T1868 VanDerWaalsContact O-OG1 3.12Å |
| 1866 | Q | 79.8 | Confident | 79.8 | Confident | 66 Ų | 66 | 73.5 Ų | 73.5 | 31% | 0.308 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -87.3 | -31.1 | 174.6 | -61.2 | 174.6 | -47 | 0 | 0 | 111.4 | K1832 L1862 K1863 P1864 T1869 | K1832-Q1866 HydrophobicContact CD-CB 4.33Å; K1832-Q1866 WeakPolarHBondContact CE-O 3.5Å; K1832-Q1866 HydrophobicContact CG-CB 4.16Å; L1862-Q1866 HydrophobicContact CB-CB 4.19Å; L1862-Q1866 HydrophobicContact CD1-CB 4.5Å; K1863-Q1866 HydrophobicContact CB-CG 4.39Å; K1863-Q1866 WeakPolarHBondContact O-CA 3.41Å; K1863-Q1866 VanDerWaalsContact O-CB 3.31Å; K1863-Q1866 WeakPolarHBondContact O-CB 3.29Å; K1863-Q1866 PolarHBondContact O-N 2.82Å; P1864-Q1866 PolarHBondContact O-N 2.87Å; Q1866-T1869 PolarHBondContact O-OG1 2.6Å |
| 1867 | C | 78.5 | Confident | 77.7 | Confident | 10 Ų | 10 | 76.8 Ų | 76.8 | 7% | 0.068 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -71.6 | -33.5 | -180 | -57.4 | 0 | 0 | 0 | 0 | 112.9 | K1863 P1864 T1869 L1870 N1871 | K1863-C1867 PolarHBondContact O-N 3.25Å; K1863-C1867 PolarHBondContact O-SG 2.81Å; P1864-C1867 WeakPolarHBondContact O-CB 3.38Å; P1864-C1867 PolarHBondContact O-N 3.22Å; C1867-T1869 VanDerWaalsContact C-N 3.35Å; C1867-T1869 PolarHBondContact O-N 2.99Å; C1867-L1870 WeakPolarHBondContact O-CA 3.33Å; C1867-L1870 WeakPolarHBondContact O-CB 3.21Å; C1867-L1870 PolarHBondContact O-N 3.45Å; C1867-N1871 PolarHBondContact O-N 3.19Å; C1867-N1871 PolarHBondContact O-OD1 2.87Å |
| 1868 | T | 77.8 | Confident | 75.1 | Confident | 91 Ų | 91 | 79.3 Ų | 79.3 | 56% | 0.558 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -54.8 | -48 | 175.6 | 50.6 | 0 | 0 | 0 | 0 | 112 | P1864 V1865 L1870 N1871 S1872 | P1864-T1868 PolarHBondContact O-N 2.75Å; V1865-T1868 PolarHBondContact O-OG1 3.03Å; V1865-T1868 VanDerWaalsContact O-OG1 3.12Å; T1868-L1870 PolarHBondContact O-N 3.13Å; T1868-N1871 PolarHBondContact O-N 2.69Å; T1868-S1872 PolarHBondContact O-N 2.93Å |
| 1869 | T | 76.5 | Confident | 72.3 | Confident | 62 Ų | 62 | 85.5 Ų | 85.5 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.1 | -6.7 | 173.3 | 39.1 | 0 | 0 | 0 | 0 | 115.8 | K1832 Q1866 C1867 S1872 | K1832-T1869 WeakPolarHBondContact CE-OG1 3.44Å; K1832-T1869 PolarHBondContact NZ-OG1 3.1Å; Q1866-T1869 PolarHBondContact O-OG1 2.6Å; C1867-T1869 VanDerWaalsContact C-N 3.35Å; C1867-T1869 PolarHBondContact O-N 2.99Å; T1869-S1872 PolarHBondContact O-OG 3.08Å |
| 1870 | L | 80 | Confident | 69.6 | Low | 1 Ų | 1 | 91 Ų | 91 | 1% | 0.005 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -92.7 | -32.2 | 168.7 | -63.9 | 178.3 | 0 | 0 | 0 | 111.2 | E1836 I1839 A1858 L1862 C1867 T1868 L1873 | E1836-L1870 HydrophobicContact CB-CD2 3.67Å; E1836-L1870 HydrophobicContact CG-CD2 3.79Å; I1839-L1870 HydrophobicContact CD1-CB 4.45Å; I1839-L1870 HydrophobicContact CD1-CD2 4.47Å; A1858-L1870 HydrophobicContact CB-CD1 3.58Å; L1862-L1870 HydrophobicContact CD1-CD1 3.65Å; C1867-L1870 WeakPolarHBondContact O-CA 3.33Å; C1867-L1870 WeakPolarHBondContact O-CB 3.21Å; C1867-L1870 PolarHBondContact O-N 3.45Å; T1868-L1870 PolarHBondContact O-N 3.13Å; L1870-L1873 HydrophobicContact CD2-CD1 4.26Å; L1870-L1873 WeakPolarHBondContact O-CB 3.17Å; L1870-L1873 PolarHBondContact O-N 2.77Å |
| 1871 | N | 77.8 | Confident | 68.8 | Low | 47 Ų | 47 | 86.8 Ų | 86.8 | 25% | 0.251 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 178.2 | -69.3 | 0.6 | 0 | 0 | 0 | 111.2 | Q1855 C1867 T1868 L1873 F1874 | Q1855-N1871 PolarHBondContact NE2-OD1 3.38Å; C1867-N1871 PolarHBondContact O-N 3.19Å; C1867-N1871 PolarHBondContact O-OD1 2.87Å; T1868-N1871 PolarHBondContact O-N 2.69Å; N1871-L1873 PolarHBondContact O-N 3.45Å; N1871-L1873 VanDerWaalsContact O-N 3.09Å; N1871-F1874 PolarHBondContact O-N 3.39Å |
| 1872 | S | 78.4 | Confident | 67.8 | Low | 58 Ų | 58 | 88 Ų | 88 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -60.4 | -19.5 | 175 | 62 | 0 | 0 | 0 | 0 | 114.5 | T1868 T1869 F1874 E1875 | T1868-S1872 PolarHBondContact O-N 2.93Å; T1869-S1872 PolarHBondContact O-OG 3.08Å; S1872-F1874 PolarHBondContact O-N 3.31Å; S1872-E1875 WeakPolarHBondContact CA-OE2 3.43Å; S1872-E1875 PolarHBondContact O-N 3.17Å |
| 1873 | L | 77.6 | Confident | 66.8 | Low | 49 Ų | 49 | 91.9 Ų | 91.9 | 26% | 0.257 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -66.7 | -18.9 | 172.5 | -62.1 | 175.6 | 0 | 0 | 0 | 113.3 | E1836 I1839 K1840 L1870 N1871 | E1836-L1873 HydrophobicContact CG-CD1 3.89Å; I1839-L1873 HydrophobicContact CB-CD1 4.22Å; I1839-L1873 HydrophobicContact CG2-CB 4.25Å; I1839-L1873 HydrophobicContact CG2-CD1 3.79Å; K1840-L1873 HydrophobicContact CG-CD1 4.26Å; K1840-L1873 HydrophobicContact CG-CD2 4.23Å; L1870-L1873 HydrophobicContact CD2-CD1 4.26Å; L1870-L1873 WeakPolarHBondContact O-CB 3.17Å; L1870-L1873 PolarHBondContact O-N 2.77Å; N1871-L1873 PolarHBondContact O-N 3.45Å; N1871-L1873 VanDerWaalsContact O-N 3.09Å |
| 1874 | F | 79.5 | Confident | 65.9 | Low | 39 Ų | 39 | 88.2 Ų | 88.2 | 17% | 0.171 | 53% | 0.526 | C | S | . | . | G | 310 helix | trans | -96.6 | -9 | 178.5 | -65.4 | -86.7 | 0 | 0 | 0 | 113.3 | I1839 I1843 M1848 A1851 R1852 Q1855 N1871 S1872 | I1839-F1874 HydrophobicContact CD1-CE2 4.39Å; I1839-F1874 HydrophobicContact CG2-CE1 4.41Å; I1839-F1874 HydrophobicContact CG2-CE2 3.68Å; I1839-F1874 HydrophobicContact CG2-CZ 3.58Å; I1843-F1874 HydrophobicContact CD1-CD1 3.99Å; I1843-F1874 HydrophobicContact CD1-CE1 3.83Å; I1843-F1874 HydrophobicContact CD1-CZ 4.24Å; I1843-F1874 HydrophobicContact CG1-CE1 4.18Å; M1848-F1874 HydrophobicContact CE-CD1 4.05Å; M1848-F1874 HydrophobicContact CE-CE1 4.36Å; A1851-F1874 HydrophobicContact CB-CE1 3.85Å; A1851-F1874 HydrophobicContact CB-CZ 3.95Å; R1852-F1874 HydrophobicContact CG-CE1 4.15Å; Q1855-F1874 HydrophobicContact CB-CE2 4.02Å; Q1855-F1874 HydrophobicContact CB-CZ 4.19Å; Q1855-F1874 HydrophobicContact CG-CE2 3.98Å; N1871-F1874 PolarHBondContact O-N 3.39Å; S1872-F1874 PolarHBondContact O-N 3.31Å |
| 1875 | E | 68.2 | Low | 65.1 | Low | 152 Ų | 152 | 87.2 Ų | 87.2 | 71% | 0.71 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -19.1 | -173.1 | -66 | 171.6 | 161.6 | 0 | 0 | 112.5 | S1872 Q1877 | S1872-E1875 WeakPolarHBondContact CA-OE2 3.43Å; S1872-E1875 PolarHBondContact O-N 3.17Å; E1875-Q1877 VanDerWaalsContact C-N 3.29Å; E1875-Q1877 PolarHBondContact O-N 3.26Å |
| 1876 | G | 53.5 | Low | 64.1 | Low | 64 Ų | 64 | 84.9 Ų | 84.9 | 66% | 0.66 | 50% | 0.501 | S | S | * | . | trans | -78 | 44.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | V1878 | G1876-V1878 PolarHBondContact O-N 3.25Š| ||
| 1877 | Q | 42.7 | Very low | 63 | Low | 183 Ų | 183 | 86.2 Ų | 86.2 | 86% | 0.855 | 52% | 0.515 | S | S | * | . | trans | -78.9 | 58.5 | 174.5 | -69.8 | -152.6 | -61.3 | 0 | 0 | 113.1 | E1875 | E1875-Q1877 VanDerWaalsContact C-N 3.29Å; E1875-Q1877 PolarHBondContact O-N 3.26Å | ||
| 1878 | V | 34.7 | Very low | 61.8 | Low | 108 Ų | 108 | 92.1 Ų | 92.1 | 66% | 0.655 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -131.9 | 105 | 176.8 | -176 | 0 | 0 | 0 | 0 | 110.6 | G1876 | G1876-V1878 PolarHBondContact O-N 3.25Š|
| 1879 | T | 27.5 | Very low | 60.5 | Low | 131 Ų | 131 | 92.2 Ų | 92.2 | 80% | 0.804 | 55% | 0.549 | S | S | * | . | trans | 39.8 | 93.6 | 161.1 | 59.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1880 | C | 29.7 | Very low | 59 | Low | 212 Ų | 212 | 94.9 Ų | 94.9 | 100% | 1.432 | 56% | 0.564 | S | S | * | * | trans | -149.7 | 0 | 142.6 | -88.9 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 1,880 of 1,880 residues in 2528.1 ms
(Link to these results)