| 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 | 76.9 | Confident | 95.8 | Very high | 151 Ų | 151 | 46.8 Ų | 46.8 | 74% | 0.744 | 22% | 0.224 | S | C | * | . | 0 | 115.4 | 0 | -176.5 | -178.6 | -79.2 | 0 | 0 | 103.4 | E3 T304 | M1-E3 PolarHBondContact O-N 3.33Å; M1-T304 HydrophobicContact CG-CG2 3.58Å; M1-T304 HydrophobicContact SD-CG2 3.48Å; M1-T304 WeakPolarHBondContact SD-CG2 3.49Å | |||
| 2 | V | 93 | Very high | 96 | Very high | 60 Ų | 60 | 42.9 Ų | 42.9 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | trans | -73.9 | 120.5 | -178.7 | -178.7 | 0 | 0 | 0 | 0 | 106.6 | E126 F128 R305 | V2-E126 HydrophobicContact CG1-CB 3.64Å; V2-E126 HydrophobicContact CG1-CG 4.26Å; V2-F128 HydrophobicContact CB-CZ 4.46Å; V2-F128 HydrophobicContact CG1-CE2 3.91Å; V2-F128 HydrophobicContact CG1-CZ 4.01Å; V2-R305 HydrophobicContact CB-CB 4.25Å; V2-R305 PolarHBondContact O-N 3.38Å | ||
| 3 | E | 95.7 | Very high | 96.1 | Very high | 92 Ų | 92 | 39.6 Ų | 39.6 | 43% | 0.43 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.5 | 177.6 | 177.8 | 177.2 | 114.6 | 0 | 0 | 107.6 | M1 K5 T302 I303 T304 | M1-E3 PolarHBondContact O-N 3.33Å; E3-K5 WeakPolarHBondContact OE1-CE 3.22Å; E3-T302 HydrophobicContact CG-CG2 3.4Å; E3-I303 WeakPolarHBondContact CA-O 3.49Å; E3-T304 HydrophobicContact CB-CG2 4.45Å; E3-T304 PolarHBondContact OE2-OG1 2.79Å |
| 4 | E | 97.9 | Very high | 96 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133.7 | 175.2 | -170.5 | 169.2 | -178.2 | 0 | 0 | 109.8 | W87 S124 K125 E126 F128 T302 I303 | E4-W87 WeakPolarHBondContact OE1-CZ2 3.17Å; E4-S124 WeakPolarHBondContact OE2-CB 3.3Å; E4-S124 PolarHBondContact OE2-OG 3.16Å; E4-K125 WeakPolarHBondContact OE1-CB 3.41Å; E4-K125 PolarHBondContact OE1-N 3.01Å; E4-K125 PolarHBondContact OE2-N 3.42Å; E4-E126 HydrophobicContact CB-CB 4.21Å; E4-E126 HydrophobicContact CB-CG 3.95Å; E4-E126 HydrophobicContact CG-CG 4.1Å; E4-E126 VanDerWaalsContact OE2-CB 3.28Å; E4-E126 WeakPolarHBondContact OE2-CB 3.44Å; E4-E126 PolarHBondContact OE2-N 3.34Å; E4-F128 HydrophobicContact CB-CD2 4.2Å; E4-F128 HydrophobicContact CB-CE2 3.98Å; E4-T302 WeakPolarHBondContact O-CA 3.46Å; E4-I303 HydrophobicContact CB-CG2 4Å; E4-I303 PolarHBondContact N-O 3.43Å; E4-I303 PolarHBondContact O-N 2.79Å |
| 5 | K | 98 | Very high | 95.9 | Very high | 140 Ų | 140 | 36.7 Ų | 36.7 | 61% | 0.609 | 17% | 0.173 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.5 | 173.9 | -66.8 | -177.7 | -179.2 | 177.4 | 0 | 109 | E3 F301 T302 | E3-K5 WeakPolarHBondContact OE1-CE 3.22Å; K5-F301 VanDerWaalsContact CA-O 3.28Å; K5-F301 WeakPolarHBondContact CA-O 3.39Å; K5-T302 HydrophobicContact CG-CG2 4.3Å |
| 6 | F | 98.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 159.7 | -178 | 66.4 | -83.5 | 0 | 0 | 0 | 112.1 | V8 D42 W87 I130 F132 I176 L270 F301 I303 | F6-V8 HydrophobicContact CD2-CG2 3.81Å; F6-V8 HydrophobicContact CE2-CG2 3.68Å; F6-D42 WeakPolarHBondContact CA-OD2 3.5Å; F6-D42 HydrophobicContact CB-CB 4.08Å; F6-D42 WeakPolarHBondContact CB-OD2 3.3Å; F6-W87 HydrophobicContact CB-CH2 3.36Å; F6-W87 HydrophobicContact CB-CZ2 3.85Å; F6-W87 HydrophobicContact CB-CZ3 4.4Å; F6-W87 HydrophobicContact CD1-CH2 4.14Å; F6-W87 HydrophobicContact CD2-CH2 4Å; F6-W87 HydrophobicContact CD2-CZ3 4.32Å; F6-W87 AromaticContact CG-CH2 3.59Å; F6-W87 HydrophobicContact CG-CH2 3.59Å; F6-W87 HydrophobicContact CG-CZ3 4.32Å; F6-I130 HydrophobicContact CE1-CD1 4.01Å; F6-I130 HydrophobicContact CE2-CD1 4.31Å; F6-I130 HydrophobicContact CZ-CD1 3.74Å; F6-F132 HydrophobicContact CE2-CE1 4.47Å; F6-F132 HydrophobicContact CE2-CZ 4.15Å; F6-I176 HydrophobicContact CE2-CD1 3.58Å; F6-I176 HydrophobicContact CZ-CD1 3.8Å; F6-L270 HydrophobicContact CE1-CD1 3.89Å; F6-L270 HydrophobicContact CZ-CD1 3.74Å; F6-F301 HydrophobicContact CD1-CB 4.07Å; F6-F301 HydrophobicContact CD2-CB 4.36Å; F6-F301 HydrophobicContact CD2-CD2 4.45Å; F6-F301 HydrophobicContact CE1-CB 3.6Å; F6-F301 HydrophobicContact CE2-CB 3.92Å; F6-F301 AromaticContact CE2-CD2 3.9Å; F6-F301 HydrophobicContact CE2-CD2 3.9Å; F6-F301 HydrophobicContact CE2-CG 4.19Å; F6-F301 HydrophobicContact CG-CB 4.43Å; F6-F301 HydrophobicContact CZ-CB 3.52Å; F6-F301 HydrophobicContact CZ-CD2 4.21Å; F6-F301 HydrophobicContact CZ-CG 4.03Å; F6-F301 PolarHBondContact N-O 3.33Å; F6-F301 PolarHBondContact O-N 3.03Å; F6-I303 HydrophobicContact CD1-CG2 4.3Å; F6-I303 HydrophobicContact CE1-CB 4.13Å; F6-I303 HydrophobicContact CE1-CG2 3.84Å |
| 7 | K | 98.5 | Very high | 94.6 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 24% | 0.235 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138 | -178.5 | -66.2 | 179.9 | 178 | -173 | 0 | 111 | D40 F41 D42 V43 W276 A299 | K7-D40 WeakPolarHBondContact CD-OD1 3.42Å; K7-D40 IonicContact NZ-OD1 2.79Å; K7-D40 PolarHBondContact NZ-OD1 3.06Å; K7-D40 IonicContact NZ-OD2 3.48Å; K7-D40 PolarHBondContact NZ-OD2 2.89Å; K7-F41 HydrophobicContact CB-CD1 3.84Å; K7-F41 HydrophobicContact CB-CE1 4.47Å; K7-D42 PolarHBondContact N-OD2 3.02Å; K7-D42 PolarHBondContact O-N 3.3Å; K7-V43 PolarHBondContact O-N 3.31Å; K7-W276 HydrophobicContact CD-CH2 4.1Å; K7-W276 HydrophobicContact CG-CH2 4.32Å; K7-A299 CarbonylContact C-O 3.59Å; K7-A299 WeakPolarHBondContact CA-O 3.47Å |
| 8 | V | 98.8 | Very high | 94 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.8 | 178.7 | -175 | 0 | 0 | 0 | 0 | 109 | F6 V43 L45 F132 I176 T178 I250 A298 A299 F301 | F6-V8 HydrophobicContact CD2-CG2 3.81Å; F6-V8 HydrophobicContact CE2-CG2 3.68Å; V8-V43 VanDerWaalsContact CA-O 3.32Å; V8-V43 WeakPolarHBondContact CA-O 3.48Å; V8-L45 HydrophobicContact CG1-CD1 3.6Å; V8-F132 HydrophobicContact CG1-CE1 4.34Å; V8-F132 HydrophobicContact CG2-CE1 3.75Å; V8-F132 HydrophobicContact CG2-CZ 4.48Å; V8-I176 HydrophobicContact CG1-CG2 4.35Å; V8-I176 HydrophobicContact CG2-CD1 4Å; V8-T178 HydrophobicContact CG1-CG2 4.36Å; V8-I250 HydrophobicContact CG1-CD1 4.49Å; V8-A298 CarbonylContact O-C 3.57Å; V8-A298 VanDerWaalsContact O-CA 3.29Å; V8-A298 WeakPolarHBondContact O-CA 3.48Å; V8-A299 PolarHBondContact N-O 3.35Å; V8-A299 PolarHBondContact O-N 2.63Å; V8-F301 HydrophobicContact CB-CE2 4.2Å; V8-F301 HydrophobicContact CG2-CD2 3.96Å; V8-F301 HydrophobicContact CG2-CE2 3.98Å |
| 9 | L | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135.1 | 171.3 | 176.3 | 70.6 | 0 | 0 | 0 | 109.5 | F11 L36 F41 V43 I44 L45 D278 M279 A298 | L9-F11 HydrophobicContact CG-CB 4.48Å; L9-L36 HydrophobicContact CD2-CD2 3.48Å; L9-L36 VanDerWaalsContact CD2-CD2 3.48Å; L9-F41 HydrophobicContact CB-CD1 3.77Å; L9-F41 HydrophobicContact CB-CD2 4.05Å; L9-F41 HydrophobicContact CB-CE1 3.89Å; L9-F41 HydrophobicContact CB-CE2 4.14Å; L9-F41 HydrophobicContact CB-CG 3.87Å; L9-F41 HydrophobicContact CB-CZ 4.06Å; L9-F41 HydrophobicContact CD1-CE1 4.5Å; L9-F41 HydrophobicContact CD1-CE2 4.38Å; L9-F41 HydrophobicContact CD1-CZ 4.08Å; L9-F41 HydrophobicContact CD2-CD2 4.01Å; L9-F41 HydrophobicContact CD2-CE2 3.83Å; L9-F41 HydrophobicContact CD2-CZ 4.34Å; L9-F41 HydrophobicContact CG-CE2 4.35Å; L9-F41 HydrophobicContact CG-CZ 4.39Å; L9-V43 PolarHBondContact N-O 2.79Å; L9-I44 HydrophobicContact CB-CG1 4.42Å; L9-I44 HydrophobicContact CD2-CG2 4.18Å; L9-I44 WeakPolarHBondContact O-CA 3.48Å; L9-L45 PolarHBondContact O-N 2.84Å; L9-D278 HydrophobicContact CD1-CB 4.17Å; L9-M279 HydrophobicContact CD2-CE 3.92Å; L9-M279 HydrophobicContact CD2-CG 4.46Å; L9-A298 HydrophobicContact CD1-CB 4.06Å |
| 10 | T | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.5 | 160.5 | -165.8 | 0 | 0 | 0 | 0 | 110.4 | L45 Q47 T178 G179 I250 G296 V297 | T10-L45 VanDerWaalsContact CA-O 3.22Å; T10-L45 WeakPolarHBondContact CA-O 3.19Å; T10-L45 PolarHBondContact OG1-O 2.89Å; T10-Q47 PolarHBondContact OG1-NE2 2.84Å; T10-Q47 PolarHBondContact OG1-OE1 2.9Å; T10-T178 WeakPolarHBondContact CB-OG1 3.46Å; T10-T178 WeakPolarHBondContact OG1-CB 3.39Å; T10-T178 PolarHBondContact OG1-OG1 2.85Å; T10-G179 WeakPolarHBondContact OG1-CA 3.29Å; T10-G179 PolarHBondContact OG1-N 2.78Å; T10-I250 HydrophobicContact CG2-CD1 4.27Å; T10-I250 HydrophobicContact CG2-CG1 3.74Å; T10-G296 WeakPolarHBondContact O-CA 3.47Å; T10-V297 HydrophobicContact CG2-CB 3.87Å; T10-V297 PolarHBondContact N-O 3.27Å; T10-V297 PolarHBondContact O-N 2.89Å |
| 11 | F | 98.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 120.1 | -176.7 | -175.5 | -138.3 | 0 | 0 | 0 | 113.8 | L9 C13 I32 L45 L46 Q47 M279 H294 G296 | L9-F11 HydrophobicContact CG-CB 4.48Å; F11-C13 VanDerWaalsContact CD1-SG 3.53Å; F11-C13 PolarHBondContact O-N 2.84Å; F11-I32 HydrophobicContact CD1-CD1 4.49Å; F11-I32 HydrophobicContact CE1-CD1 3.68Å; F11-I32 HydrophobicContact CE1-CG1 3.88Å; F11-L45 PolarHBondContact N-O 2.92Å; F11-L46 HydrophobicContact CB-CD2 3.92Å; F11-L46 HydrophobicContact CD1-CD2 4.43Å; F11-L46 WeakPolarHBondContact O-CA 3.07Å; F11-Q47 PolarHBondContact O-N 2.88Å; F11-Q47 PolarHBondContact O-OE1 3.01Å; F11-M279 HydrophobicContact CD1-CB 4.24Å; F11-M279 HydrophobicContact CD1-CG 4.01Å; F11-M279 HydrophobicContact CD2-CB 4.11Å; F11-M279 HydrophobicContact CE1-CB 3.89Å; F11-M279 HydrophobicContact CE1-CG 4.02Å; F11-M279 HydrophobicContact CE1-SD 4.44Å; F11-M279 HydrophobicContact CE2-CB 3.73Å; F11-M279 HydrophobicContact CE2-CG 4.5Å; F11-M279 HydrophobicContact CG-CB 4.33Å; F11-M279 HydrophobicContact CG-CG 4.27Å; F11-M279 HydrophobicContact CZ-CB 3.61Å; F11-M279 HydrophobicContact CZ-CG 4.25Å; F11-H294 WeakPolarHBondContact CE2-O 3.49Å; F11-G296 VanDerWaalsContact CD2-CA 3.44Å |
| 12 | N | 98 | Very high | 93 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 110.8 | 163.3 | -174.3 | -24.1 | 0 | 0 | 0 | 109.6 | W14 Q47 E48 D180 S292 H294 | N12-W14 PolarHBondContact OD1-N 2.84Å; N12-Q47 HydrophobicContact CB-CB 4.33Å; N12-E48 PolarHBondContact ND2-OE1 2.9Å; N12-E48 VanDerWaalsContact OD1-CB 3.25Å; N12-E48 WeakPolarHBondContact OD1-CB 3.31Å; N12-E48 WeakPolarHBondContact OD1-CG 3.41Å; N12-E48 PolarHBondContact OD1-OE1 2.88Å; N12-D180 HydrophobicContact CB-CB 4.49Å; N12-D180 PolarHBondContact ND2-OD2 3Å; N12-S292 VanDerWaalsContact O-CB 3.25Å; N12-S292 WeakPolarHBondContact O-CB 3.48Å; N12-S292 PolarHBondContact O-OG 3.46Å; N12-H294 HydrophobicContact CB-CB 3.96Å |
| 13 | C | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -85.8 | -10.5 | -172.8 | -63.8 | 0 | 0 | 0 | 0 | 114 | F11 A15 R28 I32 Q47 I49 | F11-C13 VanDerWaalsContact CD1-SG 3.53Å; F11-C13 PolarHBondContact O-N 2.84Å; C13-A15 PolarHBondContact O-N 2.77Å; C13-A15 VanDerWaalsContact O-N 3.1Å; C13-R28 PolarHBondContact O-NH1 3.01Å; C13-I32 HydrophobicContact CB-CD1 4.04Å; C13-Q47 WeakPolarHBondContact CB-O 3.49Å; C13-Q47 PolarHBondContact N-O 2.83Å; C13-I49 HydrophobicContact CB-CD1 3.55Å; C13-I49 HydrophobicContact CB-CG1 4.48Å | ||
| 14 | W | 95.2 | Very high | 92.8 | Very high | 35 Ų | 35 | 40 Ų | 40 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | trans | 50.3 | 35.4 | -178.2 | -169.8 | 50.4 | 0 | 0 | 0 | 114.1 | N12 V16 S21 T22 V23 R28 E48 Y232 S292 D293 | N12-W14 PolarHBondContact OD1-N 2.84Å; W14-V16 PolarHBondContact O-N 3.01Å; W14-S21 VanDerWaalsContact CZ2-O 3.22Å; W14-S21 WeakPolarHBondContact CZ2-O 3.07Å; W14-S21 PolarHBondContact NE1-O 3.18Å; W14-T22 PolarHBondContact O-OG1 3.13Å; W14-V23 HydrophobicContact CH2-CB 4.48Å; W14-V23 HydrophobicContact CH2-CG2 4.11Å; W14-V23 HydrophobicContact CZ3-CB 4.36Å; W14-V23 HydrophobicContact CZ3-CG2 4.45Å; W14-R28 PolarHBondContact O-NH2 3.42Å; W14-E48 WeakPolarHBondContact CA-OE2 3.27Å; W14-Y232 HydrophobicContact CE3-CD2 4.29Å; W14-Y232 HydrophobicContact CH2-CD1 4.45Å; W14-Y232 HydrophobicContact CH2-CD2 4.49Å; W14-Y232 HydrophobicContact CH2-CG 4.11Å; W14-Y232 HydrophobicContact CZ3-CD1 4.22Å; W14-Y232 AromaticContact CZ3-CD2 3.67Å; W14-Y232 HydrophobicContact CZ3-CD2 3.67Å; W14-Y232 HydrophobicContact CZ3-CE2 4.12Å; W14-Y232 AromaticContact CZ3-CG 3.72Å; W14-Y232 HydrophobicContact CZ3-CG 3.72Å; W14-S292 WeakPolarHBondContact CB-OG 3.34Å; W14-D293 WeakPolarHBondContact CB-OD1 3.48Å; W14-D293 HydrophobicContact CD2-CB 4.09Å; W14-D293 HydrophobicContact CE3-CB 4.02Å; W14-D293 VanDerWaalsContact CG-OD1 3.22Å; W14-D293 HydrophobicContact CZ3-CB 4.28Å | ||
| 15 | A | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -82.8 | 45.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | C13 K25 V29 E48 I49 | C13-A15 PolarHBondContact O-N 2.77Å; C13-A15 VanDerWaalsContact O-N 3.1Å; A15-K25 HydrophobicContact CB-CG 4.32Å; A15-V29 HydrophobicContact CB-CG2 3.8Å; A15-E48 WeakPolarHBondContact CA-O 3.28Å; A15-E48 VanDerWaalsContact CB-O 3.24Å; A15-E48 WeakPolarHBondContact CB-O 3.16Å; A15-E48 PolarHBondContact N-O 3.45Å; A15-I49 HydrophobicContact CB-CD1 4.23Å | ||
| 16 | V | 87.8 | Confident | 92.5 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 12% | 0.121 | 20% | 0.203 | C | C | . | . | trans | -58.8 | 135.5 | -174.7 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | W14 F18 E48 W50 | W14-V16 PolarHBondContact O-N 3.01Å; V16-F18 VanDerWaalsContact C-N 3.34Å; V16-F18 HydrophobicContact CG1-CB 4.22Å; V16-F18 HydrophobicContact CG1-CD2 4.49Å; V16-E48 WeakPolarHBondContact CG2-OE2 3.34Å; V16-W50 VanDerWaalsContact CA-CD1 3.4Å | ||
| 17 | F | 83.1 | Confident | 92.4 | Very high | 63 Ų | 63 | 40.9 Ų | 40.9 | 28% | 0.276 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -77.3 | -18.1 | -176.7 | 59.6 | -90.2 | 0 | 0 | 0 | 113.6 | P19 W50 L51 I77 A109 | F17-P19 WeakPolarHBondContact O-CD 3.1Å; F17-W50 HydrophobicContact CD1-CB 3.91Å; F17-W50 HydrophobicContact CD1-CG 4.35Å; F17-L51 HydrophobicContact CB-CD1 4.18Å; F17-L51 HydrophobicContact CB-CD2 3.76Å; F17-L51 HydrophobicContact CB-CG 3.99Å; F17-L51 HydrophobicContact CG-CD2 4.46Å; F17-I77 HydrophobicContact CE1-CD1 3.78Å; F17-I77 HydrophobicContact CE1-CG2 4.44Å; F17-I77 HydrophobicContact CZ-CD1 3.7Å; F17-A109 HydrophobicContact CE1-CB 4.2Å; F17-A109 HydrophobicContact CZ-CB 4.18Å |
| 18 | F | 82.6 | Confident | 92.3 | Very high | 67 Ų | 67 | 38.3 Ų | 38.3 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -80.5 | 114.4 | 172.4 | -70.4 | -66.6 | 0 | 0 | 0 | 110.9 | V16 S20 S21 I106 | V16-F18 VanDerWaalsContact C-N 3.34Å; V16-F18 HydrophobicContact CG1-CB 4.22Å; V16-F18 HydrophobicContact CG1-CD2 4.49Å; F18-S20 PolarHBondContact O-N 3.43Å; F18-S20 VanDerWaalsContact O-N 3.12Å; F18-S21 PolarHBondContact O-N 2.99Å; F18-I106 HydrophobicContact CZ-CG2 4.35Å |
| 19 | P | 80.4 | Confident | 92.2 | Very high | 113 Ų | 113 | 38.4 Ų | 38.4 | 73% | 0.734 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -61.3 | -25.8 | -176.3 | -25.3 | 35.6 | 0 | 0 | 0 | 114.5 | F17 S21 | F17-P19 WeakPolarHBondContact O-CD 3.1Å; P19-S21 VanDerWaalsContact C-N 3.29Å |
| 20 | S | 83.8 | Confident | 92.1 | Very high | 114 Ų | 114 | 41.1 Ų | 41.1 | 80% | 0.797 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -74.7 | -18.4 | 177.9 | 55 | 0 | 0 | 0 | 0 | 113.8 | F18 | F18-S20 PolarHBondContact O-N 3.43Å; F18-S20 VanDerWaalsContact O-N 3.12Å |
| 21 | S | 84.1 | Confident | 92 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -103.8 | 11.4 | -175.6 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | W14 F18 P19 | W14-S21 VanDerWaalsContact CZ2-O 3.22Å; W14-S21 WeakPolarHBondContact CZ2-O 3.07Å; W14-S21 PolarHBondContact NE1-O 3.18Å; F18-S21 PolarHBondContact O-N 2.99Å; P19-S21 VanDerWaalsContact C-N 3.29Å |
| 22 | T | 89.3 | Confident | 92 | Very high | 18 Ų | 18 | 42 Ų | 42 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -153.1 | 164 | -177.9 | -163.8 | 0 | 0 | 0 | 0 | 111.4 | W14 K25 R28 | W14-T22 PolarHBondContact O-OG1 3.13Å; T22-K25 HydrophobicContact CG2-CB 3.66Å; T22-K25 HydrophobicContact CG2-CG 4.39Å; T22-R28 PolarHBondContact OG1-NH2 2.93Å |
| 23 | V | 92 | Very high | 92 | Very high | 60 Ų | 60 | 42 Ų | 42 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -121.5 | 129.7 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 110 | W14 K25 R28 Y232 | W14-V23 HydrophobicContact CH2-CB 4.48Å; W14-V23 HydrophobicContact CH2-CG2 4.11Å; W14-V23 HydrophobicContact CZ3-CB 4.36Å; W14-V23 HydrophobicContact CZ3-CG2 4.45Å; V23-K25 PolarHBondContact O-N 2.52Å; V23-R28 PolarHBondContact O-NE 2.9Å; V23-Y232 HydrophobicContact CB-CD1 4.5Å; V23-Y232 HydrophobicContact CB-CE1 3.99Å; V23-Y232 HydrophobicContact CG1-CE1 4.08Å; V23-Y232 HydrophobicContact CG2-CD1 4.24Å; V23-Y232 HydrophobicContact CG2-CE1 4.14Å |
| 24 | R | 93.4 | Very high | 91.9 | Very high | 90 Ų | 90 | 45.2 Ų | 45.2 | 34% | 0.34 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 43.2 | 44.1 | 173.7 | -66.7 | 175.5 | 61 | -161.1 | -4 | 113 | E26 D27 R28 D285 L289 | R24-E26 VanDerWaalsContact C-N 3.31Å; R24-E26 PolarHBondContact O-N 2.87Å; R24-D27 HydrophobicContact CB-CB 4.19Å; R24-D27 IonicContact CZ-OD2 3.05Å; R24-D27 VanDerWaalsContact CZ-OD2 3.23Å; R24-D27 IonicContact NE-OD2 2.93Å; R24-D27 PolarHBondContact NE-OD2 2.91Å; R24-D27 IonicContact NH2-OD2 3.17Å; R24-D27 PolarHBondContact NH2-OD2 3.44Å; R24-D27 WeakPolarHBondContact O-CB 3.34Å; R24-D27 PolarHBondContact O-N 3.03Å; R24-R28 PolarHBondContact O-N 2.77Å; R24-D285 IonicContact CZ-OD2 3.82Å; R24-D285 IonicContact NH1-OD1 3.69Å; R24-D285 PolarHBondContact NH1-OD1 3Å; R24-D285 VanDerWaalsContact NH1-OD1 3.17Å; R24-D285 IonicContact NH1-OD2 3.73Å; R24-D285 PolarHBondContact NH1-OD2 3.3Å; R24-D285 IonicContact NH2-OD2 3.39Å; R24-D285 PolarHBondContact NH2-OD2 2.91Å; R24-L289 HydrophobicContact CB-CD1 3.96Å; R24-L289 HydrophobicContact CG-CD1 4.49Å |
| 25 | K | 94.9 | Very high | 92 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 11% | 0.109 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -53.6 | -42.2 | -169.5 | 170.5 | -103.1 | 163 | -178 | 0 | 113.6 | A15 T22 V23 R28 V29 D54 | A15-K25 HydrophobicContact CB-CG 4.32Å; T22-K25 HydrophobicContact CG2-CB 3.66Å; T22-K25 HydrophobicContact CG2-CG 4.39Å; V23-K25 PolarHBondContact O-N 2.52Å; K25-R28 PolarHBondContact O-N 2.78Å; K25-V29 HydrophobicContact CG-CG2 4.45Å; K25-V29 WeakPolarHBondContact O-CG2 3.35Å; K25-V29 PolarHBondContact O-N 3.47Å; K25-D54 WeakPolarHBondContact CE-OD2 3.49Å; K25-D54 IonicContact NZ-OD1 3.82Å; K25-D54 PolarHBondContact NZ-OD1 3.2Å; K25-D54 IonicContact NZ-OD2 2.81Å; K25-D54 PolarHBondContact NZ-OD2 3.12Å |
| 26 | E | 94.7 | Very high | 92.2 | Very high | 84 Ų | 84 | 46.3 Ų | 46.3 | 39% | 0.393 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 176.2 | -72.1 | -57.5 | 134.1 | 0 | 0 | 113.1 | R24 R28 V29 N30 K57 | R24-E26 VanDerWaalsContact C-N 3.31Å; R24-E26 PolarHBondContact O-N 2.87Å; E26-R28 VanDerWaalsContact C-N 3.35Å; E26-V29 PolarHBondContact O-N 2.84Å; E26-N30 WeakPolarHBondContact O-CB 3.48Å; E26-N30 PolarHBondContact O-N 2.87Å; E26-N30 PolarHBondContact O-ND2 3.19Å; E26-N30 VanDerWaalsContact O-ND2 3.12Å; E26-K57 IonicContact OE2-NZ 2.99Å; E26-K57 PolarHBondContact OE2-NZ 3.28Å |
| 27 | D | 95.5 | Very high | 92.7 | Very high | 68 Ų | 68 | 47.5 Ų | 47.5 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 178.1 | -63.4 | -15.6 | 0 | 0 | 0 | 110.7 | R24 N30 A31 L289 | R24-D27 HydrophobicContact CB-CB 4.19Å; R24-D27 IonicContact CZ-OD2 3.05Å; R24-D27 VanDerWaalsContact CZ-OD2 3.23Å; R24-D27 IonicContact NE-OD2 2.93Å; R24-D27 PolarHBondContact NE-OD2 2.91Å; R24-D27 IonicContact NH2-OD2 3.17Å; R24-D27 PolarHBondContact NH2-OD2 3.44Å; R24-D27 WeakPolarHBondContact O-CB 3.34Å; R24-D27 PolarHBondContact O-N 3.03Å; D27-N30 PolarHBondContact O-N 2.94Å; D27-A31 WeakPolarHBondContact O-CB 3.37Å; D27-A31 PolarHBondContact O-N 2.83Å; D27-L289 HydrophobicContact CB-CD2 4.03Å |
| 28 | R | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 177.2 | -67.5 | -168.5 | -56.1 | 103.1 | 0.6 | 111.4 | C13 W14 T22 V23 R24 K25 E26 N30 A31 I32 L289 H290 Y291 | C13-R28 PolarHBondContact O-NH1 3.01Å; W14-R28 PolarHBondContact O-NH2 3.42Å; T22-R28 PolarHBondContact OG1-NH2 2.93Å; V23-R28 PolarHBondContact O-NE 2.9Å; R24-R28 PolarHBondContact O-N 2.77Å; K25-R28 PolarHBondContact O-N 2.78Å; E26-R28 VanDerWaalsContact C-N 3.35Å; R28-N30 VanDerWaalsContact C-N 3.29Å; R28-N30 PolarHBondContact O-N 3.31Å; R28-A31 PolarHBondContact O-N 3.13Å; R28-A31 VanDerWaalsContact O-N 3.11Å; R28-I32 WeakPolarHBondContact O-CG1 3.06Å; R28-I32 PolarHBondContact O-N 2.83Å; R28-L289 HydrophobicContact CG-CD1 3.82Å; R28-L289 HydrophobicContact CG-CD2 3.93Å; R28-L289 HydrophobicContact CG-CG 3.98Å; R28-H290 WeakPolarHBondContact CD-O 3.43Å; R28-H290 WeakPolarHBondContact CG-O 3.43Å; R28-Y291 WeakPolarHBondContact CD-O 3.31Å; R28-Y291 PolarHBondContact NH1-O 2.88Å |
| 29 | V | 96.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -40.9 | 177.7 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | A15 K25 E26 I32 A33 K57 L58 | A15-V29 HydrophobicContact CB-CG2 3.8Å; K25-V29 HydrophobicContact CG-CG2 4.45Å; K25-V29 WeakPolarHBondContact O-CG2 3.35Å; K25-V29 PolarHBondContact O-N 3.47Å; E26-V29 PolarHBondContact O-N 2.84Å; V29-I32 PolarHBondContact O-N 2.73Å; V29-A33 WeakPolarHBondContact O-CB 3.38Å; V29-A33 PolarHBondContact O-N 3Å; V29-K57 HydrophobicContact CG1-CD 4.39Å; V29-L58 HydrophobicContact CG1-CG 4.46Å |
| 30 | N | 96.7 | Very high | 94.5 | Very high | 57 Ų | 57 | 46.3 Ų | 46.3 | 31% | 0.305 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.8 | -70.3 | -25.4 | 0 | 0 | 0 | 112.6 | E26 D27 R28 A33 S34 K57 | E26-N30 WeakPolarHBondContact O-CB 3.48Å; E26-N30 PolarHBondContact O-N 2.87Å; E26-N30 PolarHBondContact O-ND2 3.19Å; E26-N30 VanDerWaalsContact O-ND2 3.12Å; D27-N30 PolarHBondContact O-N 2.94Å; R28-N30 VanDerWaalsContact C-N 3.29Å; R28-N30 PolarHBondContact O-N 3.31Å; N30-A33 PolarHBondContact O-N 2.78Å; N30-S34 WeakPolarHBondContact O-CB 3.46Å; N30-S34 PolarHBondContact O-N 2.95Å; N30-S34 PolarHBondContact O-OG 2.89Å; N30-K57 WeakPolarHBondContact OD1-CE 3.27Å; N30-K57 PolarHBondContact OD1-NZ 3.15Å |
| 31 | A | 97.3 | Very high | 95.2 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | D27 R28 S34 K35 V282 Y291 | D27-A31 WeakPolarHBondContact O-CB 3.37Å; D27-A31 PolarHBondContact O-N 2.83Å; R28-A31 PolarHBondContact O-N 3.13Å; R28-A31 VanDerWaalsContact O-N 3.11Å; A31-S34 PolarHBondContact O-N 2.74Å; A31-K35 WeakPolarHBondContact O-CB 3.33Å; A31-K35 PolarHBondContact O-N 3.12Å; A31-V282 HydrophobicContact CB-CG1 4.06Å; A31-V282 HydrophobicContact CB-CG2 4.11Å; A31-Y291 HydrophobicContact CB-CD1 3.98Å; A31-Y291 HydrophobicContact CB-CE1 3.68Å |
| 32 | I | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.1 | -53.5 | 174.7 | -67.2 | 166.5 | 0 | 0 | 0 | 109.7 | F11 C13 R28 V29 S34 K35 L36 L58 Y291 | F11-I32 HydrophobicContact CD1-CD1 4.49Å; F11-I32 HydrophobicContact CE1-CD1 3.68Å; F11-I32 HydrophobicContact CE1-CG1 3.88Å; C13-I32 HydrophobicContact CB-CD1 4.04Å; R28-I32 WeakPolarHBondContact O-CG1 3.06Å; R28-I32 PolarHBondContact O-N 2.83Å; V29-I32 PolarHBondContact O-N 2.73Å; I32-S34 VanDerWaalsContact C-N 3.29Å; I32-S34 PolarHBondContact O-N 3.37Å; I32-K35 PolarHBondContact O-N 2.59Å; I32-L36 HydrophobicContact CG2-CD1 3.7Å; I32-L36 HydrophobicContact CG2-CG 4.22Å; I32-L36 WeakPolarHBondContact O-CB 3.48Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.35Å; I32-L36 PolarHBondContact O-N 2.93Å; I32-L58 HydrophobicContact CG2-CD2 4.39Å; I32-Y291 HydrophobicContact CG1-CD1 3.78Å; I32-Y291 HydrophobicContact CG1-CG 4.44Å |
| 33 | A | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.6 | -46.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V29 N30 L36 S37 L58 I61 | V29-A33 WeakPolarHBondContact O-CB 3.38Å; V29-A33 PolarHBondContact O-N 3Å; N30-A33 PolarHBondContact O-N 2.78Å; A33-L36 PolarHBondContact O-N 3.44Å; A33-S37 WeakPolarHBondContact O-CB 3.25Å; A33-S37 PolarHBondContact O-N 2.81Å; A33-L58 HydrophobicContact CB-CD2 3.72Å; A33-I61 HydrophobicContact CB-CB 4.29Å; A33-I61 HydrophobicContact CB-CD1 3.7Å; A33-I61 HydrophobicContact CB-CG2 3.98Å |
| 34 | S | 96.5 | Very high | 96.7 | Very high | 68 Ų | 68 | 36.2 Ų | 36.2 | 48% | 0.476 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.1 | -47.6 | -179.7 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | N30 A31 I32 L36 S37 V38 | N30-S34 WeakPolarHBondContact O-CB 3.46Å; N30-S34 PolarHBondContact O-N 2.95Å; N30-S34 PolarHBondContact O-OG 2.89Å; A31-S34 PolarHBondContact O-N 2.74Å; I32-S34 VanDerWaalsContact C-N 3.29Å; I32-S34 PolarHBondContact O-N 3.37Å; S34-L36 PolarHBondContact O-N 3.48Å; S34-S37 PolarHBondContact O-N 2.82Å; S34-S37 PolarHBondContact O-OG 3.18Å; S34-V38 PolarHBondContact O-N 3.09Å |
| 35 | K | 97.2 | Very high | 96.9 | Very high | 57 Ų | 57 | 32 Ų | 32 | 25% | 0.248 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 178.5 | 177.1 | 166.2 | 157.2 | 80.7 | 0 | 112.3 | A31 I32 S37 V38 G39 D278 M279 Y291 | A31-K35 WeakPolarHBondContact O-CB 3.33Å; A31-K35 PolarHBondContact O-N 3.12Å; I32-K35 PolarHBondContact O-N 2.59Å; K35-S37 VanDerWaalsContact C-N 3.34Å; K35-V38 WeakPolarHBondContact O-CG2 3.44Å; K35-V38 PolarHBondContact O-N 3.3Å; K35-G39 WeakPolarHBondContact O-CA 3.45Å; K35-G39 PolarHBondContact O-N 3.17Å; K35-D278 WeakPolarHBondContact CE-OD1 3.27Å; K35-D278 IonicContact NZ-OD1 3.76Å; K35-D278 PolarHBondContact NZ-OD1 2.78Å; K35-M279 HydrophobicContact CB-CE 4.21Å; K35-M279 HydrophobicContact CB-SD 4.36Å; K35-M279 HydrophobicContact CD-CE 3.87Å; K35-M279 HydrophobicContact CD-SD 3.35Å; K35-M279 WeakPolarHBondContact CD-SD 3.47Å; K35-M279 WeakPolarHBondContact CE-SD 3.13Å; K35-M279 HydrophobicContact CG-CE 3.79Å; K35-M279 HydrophobicContact CG-SD 3.95Å; K35-Y291 HydrophobicContact CB-CE1 4.11Å; K35-Y291 HydrophobicContact CD-CE1 3.97Å; K35-Y291 HydrophobicContact CD-CE2 3.81Å; K35-Y291 VanDerWaalsContact CD-CZ 3.41Å; K35-Y291 VanDerWaalsContact CD-OH 3.24Å; K35-Y291 WeakPolarHBondContact CD-OH 3.14Å |
| 36 | L | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67 | -34.7 | 177.6 | -70.1 | 179.2 | 0 | 0 | 0 | 112.6 | L9 I32 A33 S34 V38 F41 I44 L46 L62 Y66 M279 | L9-L36 HydrophobicContact CD2-CD2 3.48Å; L9-L36 VanDerWaalsContact CD2-CD2 3.48Å; I32-L36 HydrophobicContact CG2-CD1 3.7Å; I32-L36 HydrophobicContact CG2-CG 4.22Å; I32-L36 WeakPolarHBondContact O-CB 3.48Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.35Å; I32-L36 PolarHBondContact O-N 2.93Å; A33-L36 PolarHBondContact O-N 3.44Å; S34-L36 PolarHBondContact O-N 3.48Å; L36-V38 PolarHBondContact O-N 3.23Å; L36-F41 HydrophobicContact CD2-CD2 4.34Å; L36-I44 HydrophobicContact CB-CD1 4.32Å; L36-I44 HydrophobicContact CD1-CD1 4.34Å; L36-I44 HydrophobicContact CD1-CG2 4.19Å; L36-I44 HydrophobicContact CD2-CD1 3.76Å; L36-I44 HydrophobicContact CD2-CG1 4.2Å; L36-I44 HydrophobicContact CD2-CG2 4.25Å; L36-I44 HydrophobicContact CG-CD1 4.36Å; L36-L46 HydrophobicContact CD1-CD1 4.3Å; L36-L62 HydrophobicContact CB-CD1 4.21Å; L36-L62 HydrophobicContact CB-CD2 3.62Å; L36-L62 HydrophobicContact CD1-CD1 4.05Å; L36-Y66 WeakPolarHBondContact O-CE2 3.41Å; L36-Y66 PolarHBondContact O-OH 2.88Å; L36-M279 HydrophobicContact CD2-CE 3.21Å; L36-M279 HydrophobicContact CG-CE 3.58Å |
| 37 | S | 96.5 | Very high | 97.2 | Very high | 44 Ų | 44 | 26.8 Ų | 26.8 | 31% | 0.308 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 177.9 | 75 | 0 | 0 | 0 | 0 | 112.3 | A33 S34 K35 K65 | A33-S37 WeakPolarHBondContact O-CB 3.25Å; A33-S37 PolarHBondContact O-N 2.81Å; S34-S37 PolarHBondContact O-N 2.82Å; S34-S37 PolarHBondContact O-OG 3.18Å; K35-S37 VanDerWaalsContact C-N 3.34Å; S37-K65 WeakPolarHBondContact O-CD 3.35Å; S37-K65 PolarHBondContact O-NZ 2.86Å |
| 38 | V | 95 | Very high | 97.2 | Very high | 118 Ų | 118 | 24.7 Ų | 24.7 | 72% | 0.715 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -87.6 | -26.9 | 178.9 | -58 | 0 | 0 | 0 | 0 | 113 | S34 K35 L36 | S34-V38 PolarHBondContact O-N 3.09Å; K35-V38 WeakPolarHBondContact O-CG2 3.44Å; K35-V38 PolarHBondContact O-N 3.3Å; L36-V38 PolarHBondContact O-N 3.23Å |
| 39 | G | 93.2 | Very high | 97.1 | Very high | 18 Ų | 18 | 24.7 Ų | 24.7 | 19% | 0.186 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -66.3 | 159.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K35 K65 Y66 | K35-G39 WeakPolarHBondContact O-CA 3.45Å; K35-G39 PolarHBondContact O-N 3.17Å; G39-K65 WeakPolarHBondContact O-CE 2.97Å; G39-K65 PolarHBondContact O-NZ 2.97Å; G39-Y66 PolarHBondContact O-OH 3.48Å |
| 40 | D | 96.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 25.2 Ų | 25.2 | 44% | 0.439 | 15% | 0.15 | S | C | . | . | trans | -105.9 | 13.1 | -166.9 | 67 | -10.5 | 0 | 0 | 0 | 115.4 | K7 K86 | K7-D40 WeakPolarHBondContact CD-OD1 3.42Å; K7-D40 IonicContact NZ-OD1 2.79Å; K7-D40 PolarHBondContact NZ-OD1 3.06Å; K7-D40 IonicContact NZ-OD2 3.48Å; K7-D40 PolarHBondContact NZ-OD2 2.89Å; D40-K86 PolarHBondContact O-NZ 2.88Å | ||
| 41 | F | 98.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | trans | -54 | 149.4 | 173.5 | -60.9 | -64.9 | 0 | 0 | 0 | 112.6 | K7 L9 L36 I44 Y66 K86 W276 D278 A298 | K7-F41 HydrophobicContact CB-CD1 3.84Å; K7-F41 HydrophobicContact CB-CE1 4.47Å; L9-F41 HydrophobicContact CB-CD1 3.77Å; L9-F41 HydrophobicContact CB-CD2 4.05Å; L9-F41 HydrophobicContact CB-CE1 3.89Å; L9-F41 HydrophobicContact CB-CE2 4.14Å; L9-F41 HydrophobicContact CB-CG 3.87Å; L9-F41 HydrophobicContact CB-CZ 4.06Å; L9-F41 HydrophobicContact CD1-CE1 4.5Å; L9-F41 HydrophobicContact CD1-CE2 4.38Å; L9-F41 HydrophobicContact CD1-CZ 4.08Å; L9-F41 HydrophobicContact CD2-CD2 4.01Å; L9-F41 HydrophobicContact CD2-CE2 3.83Å; L9-F41 HydrophobicContact CD2-CZ 4.34Å; L9-F41 HydrophobicContact CG-CE2 4.35Å; L9-F41 HydrophobicContact CG-CZ 4.39Å; L36-F41 HydrophobicContact CD2-CD2 4.34Å; F41-I44 HydrophobicContact CB-CD1 4.33Å; F41-I44 HydrophobicContact CB-CG1 3.81Å; F41-I44 HydrophobicContact CG-CG1 4.43Å; F41-Y66 WeakPolarHBondContact O-CE1 3.03Å; F41-Y66 PolarHBondContact O-OH 2.9Å; F41-K86 WeakPolarHBondContact O-CE 3.21Å; F41-K86 PolarHBondContact O-NZ 2.88Å; F41-W276 HydrophobicContact CE1-CH2 4.44Å; F41-W276 AromaticContact CE1-CZ2 3.82Å; F41-W276 HydrophobicContact CE1-CZ2 3.82Å; F41-W276 HydrophobicContact CZ-CZ2 4.22Å; F41-D278 WeakPolarHBondContact CZ-OD2 3.47Å; F41-A298 HydrophobicContact CE1-CB 3.63Å; F41-A298 HydrophobicContact CZ-CB 3.9Å | ||
| 42 | D | 98.7 | Very high | 96.2 | Very high | 22 Ų | 22 | 27.9 Ų | 27.9 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -101.8 | -33.8 | 176.4 | -59.5 | -69.9 | 0 | 0 | 0 | 111.7 | F6 K7 S85 K86 W87 | F6-D42 WeakPolarHBondContact CA-OD2 3.5Å; F6-D42 HydrophobicContact CB-CB 4.08Å; F6-D42 WeakPolarHBondContact CB-OD2 3.3Å; K7-D42 PolarHBondContact N-OD2 3.02Å; K7-D42 PolarHBondContact O-N 3.3Å; D42-S85 WeakPolarHBondContact O-CA 3.41Å; D42-K86 HydrophobicContact CB-CD 4.44Å; D42-K86 PolarHBondContact O-N 2.77Å; D42-K86 WeakPolarHBondContact OD1-CD 3.38Å; D42-K86 IonicContact OD1-NZ 3.29Å; D42-K86 PolarHBondContact OD1-NZ 2.8Å; D42-W87 HydrophobicContact CB-CH2 4.13Å; D42-W87 HydrophobicContact CB-CZ2 3.95Å |
| 43 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 130.8 | 174 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | K7 V8 L9 L45 I83 F84 W87 I122 F132 | K7-V43 PolarHBondContact O-N 3.31Å; V8-V43 VanDerWaalsContact CA-O 3.32Å; V8-V43 WeakPolarHBondContact CA-O 3.48Å; L9-V43 PolarHBondContact N-O 2.79Å; V43-L45 HydrophobicContact CG1-CD1 3.98Å; V43-L45 HydrophobicContact CG1-CG 4.41Å; V43-I83 HydrophobicContact CG1-CD1 3.79Å; V43-I83 HydrophobicContact CG1-CG1 3.95Å; V43-F84 CarbonylContact C-O 3.36Å; V43-F84 WeakPolarHBondContact CA-O 3.46Å; V43-W87 HydrophobicContact CG2-CE3 4.14Å; V43-W87 HydrophobicContact CG2-CZ3 4.21Å; V43-I122 HydrophobicContact CG1-CD1 4.05Å; V43-I122 HydrophobicContact CG2-CD1 4.27Å; V43-F132 HydrophobicContact CB-CD1 4.34Å; V43-F132 HydrophobicContact CB-CE1 3.92Å; V43-F132 HydrophobicContact CB-CZ 4.1Å; V43-F132 HydrophobicContact CG1-CD1 3.87Å; V43-F132 HydrophobicContact CG1-CD2 4.48Å; V43-F132 HydrophobicContact CG1-CE1 3.97Å; V43-F132 HydrophobicContact CG1-CG 4.13Å; V43-F132 HydrophobicContact CG1-CZ 4.33Å; V43-F132 HydrophobicContact CG2-CE1 3.95Å; V43-F132 HydrophobicContact CG2-CE2 3.93Å; V43-F132 HydrophobicContact CG2-CZ 3.58Å |
| 44 | I | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.2 | -179.7 | -61.1 | 155.9 | 0 | 0 | 0 | 108.2 | L9 L36 F41 L46 Y66 I83 F84 | L9-I44 HydrophobicContact CB-CG1 4.42Å; L9-I44 HydrophobicContact CD2-CG2 4.18Å; L9-I44 WeakPolarHBondContact O-CA 3.48Å; L36-I44 HydrophobicContact CB-CD1 4.32Å; L36-I44 HydrophobicContact CD1-CD1 4.34Å; L36-I44 HydrophobicContact CD1-CG2 4.19Å; L36-I44 HydrophobicContact CD2-CD1 3.76Å; L36-I44 HydrophobicContact CD2-CG1 4.2Å; L36-I44 HydrophobicContact CD2-CG2 4.25Å; L36-I44 HydrophobicContact CG-CD1 4.36Å; F41-I44 HydrophobicContact CB-CD1 4.33Å; F41-I44 HydrophobicContact CB-CG1 3.81Å; F41-I44 HydrophobicContact CG-CG1 4.43Å; I44-L46 HydrophobicContact CG2-CD1 4.44Å; I44-L46 HydrophobicContact CG2-CD2 3.46Å; I44-L46 VanDerWaalsContact CG2-CD2 3.46Å; I44-L46 HydrophobicContact CG2-CG 3.83Å; I44-Y66 HydrophobicContact CD1-CD1 4.09Å; I44-Y66 HydrophobicContact CD1-CD2 4.28Å; I44-Y66 HydrophobicContact CD1-CE1 3.53Å; I44-Y66 HydrophobicContact CD1-CE2 3.74Å; I44-Y66 HydrophobicContact CD1-CG 4.43Å; I44-Y66 HydrophobicContact CG1-CE1 4.26Å; I44-I83 CarbonylContact O-C 3.53Å; I44-I83 VanDerWaalsContact O-CA 3.28Å; I44-I83 WeakPolarHBondContact O-CA 3.5Å; I44-F84 HydrophobicContact CB-CB 4.29Å; I44-F84 PolarHBondContact N-O 3.46Å; I44-F84 PolarHBondContact O-N 2.76Å |
| 45 | L | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.6 | 178.8 | -57.6 | 105.3 | 0 | 0 | 0 | 109.2 | V8 L9 T10 F11 V43 Q47 C82 I83 F132 V134 T178 | V8-L45 HydrophobicContact CG1-CD1 3.6Å; L9-L45 PolarHBondContact O-N 2.84Å; T10-L45 VanDerWaalsContact CA-O 3.22Å; T10-L45 WeakPolarHBondContact CA-O 3.19Å; T10-L45 PolarHBondContact OG1-O 2.89Å; F11-L45 PolarHBondContact N-O 2.92Å; V43-L45 HydrophobicContact CG1-CD1 3.98Å; V43-L45 HydrophobicContact CG1-CG 4.41Å; L45-Q47 PolarHBondContact O-NE2 3.03Å; L45-Q47 VanDerWaalsContact O-NE2 3.1Å; L45-C82 WeakPolarHBondContact CA-O 3.28Å; L45-I83 HydrophobicContact CD2-CD1 3.89Å; L45-I83 HydrophobicContact CD2-CG1 4.26Å; L45-I83 HydrophobicContact CG-CD1 4.22Å; L45-I83 HydrophobicContact CG-CG1 4.16Å; L45-F132 HydrophobicContact CD1-CD1 4.31Å; L45-F132 HydrophobicContact CD2-CB 4.19Å; L45-V134 HydrophobicContact CB-CB 4.17Å; L45-V134 HydrophobicContact CB-CG2 4.14Å; L45-V134 HydrophobicContact CD2-CB 3.72Å; L45-V134 HydrophobicContact CD2-CG1 4.31Å; L45-T178 WeakPolarHBondContact CB-OG1 2.92Å; L45-T178 HydrophobicContact CD1-CG2 3.98Å |
| 46 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 146.6 | -175.3 | -53.4 | -178.4 | 0 | 0 | 0 | 110.7 | F11 L36 I44 I49 L58 M81 C82 F84 | F11-L46 HydrophobicContact CB-CD2 3.92Å; F11-L46 HydrophobicContact CD1-CD2 4.43Å; F11-L46 WeakPolarHBondContact O-CA 3.07Å; L36-L46 HydrophobicContact CD1-CD1 4.3Å; I44-L46 HydrophobicContact CG2-CD1 4.44Å; I44-L46 HydrophobicContact CG2-CD2 3.46Å; I44-L46 VanDerWaalsContact CG2-CD2 3.46Å; I44-L46 HydrophobicContact CG2-CG 3.83Å; L46-I49 HydrophobicContact CB-CG1 4.06Å; L46-I49 HydrophobicContact CD1-CG1 4.35Å; L46-L58 HydrophobicContact CD1-CD1 3.96Å; L46-M81 VanDerWaalsContact O-CA 3.26Å; L46-M81 WeakPolarHBondContact O-CA 3.12Å; L46-C82 PolarHBondContact N-O 2.87Å; L46-C82 PolarHBondContact O-N 3.27Å; L46-F84 HydrophobicContact CD1-CD2 4.35Å; L46-F84 HydrophobicContact CD1-CE2 3.94Å |
| 47 | Q | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 162.1 | 169.9 | -55.2 | 74.8 | 62.7 | 0 | 0 | 109 | T10 F11 N12 C13 L45 I49 G80 V134 H136 | T10-Q47 PolarHBondContact OG1-NE2 2.84Å; T10-Q47 PolarHBondContact OG1-OE1 2.9Å; F11-Q47 PolarHBondContact O-N 2.88Å; F11-Q47 PolarHBondContact O-OE1 3.01Å; N12-Q47 HydrophobicContact CB-CB 4.33Å; C13-Q47 WeakPolarHBondContact CB-O 3.49Å; C13-Q47 PolarHBondContact N-O 2.83Å; L45-Q47 PolarHBondContact O-NE2 3.03Å; L45-Q47 VanDerWaalsContact O-NE2 3.1Å; Q47-I49 VanDerWaalsContact C-N 3.31Å; Q47-I49 PolarHBondContact O-N 2.92Å; Q47-G80 CarbonylContact C-O 3.44Å; Q47-V134 HydrophobicContact CG-CG2 4.14Å; Q47-H136 HydrophobicContact CB-CB 4.45Å; Q47-H136 HydrophobicContact CG-CB 4.21Å |
| 48 | E | 94.7 | Very high | 95.9 | Very high | 24 Ų | 24 | 33 Ų | 33 | 11% | 0.112 | 17% | 0.172 | C | C | . | . | trans | 59.5 | 29 | 178.2 | -64.2 | -151 | -160.1 | 0 | 0 | 116.8 | N12 W14 A15 V16 W50 G80 H136 | N12-E48 PolarHBondContact ND2-OE1 2.9Å; N12-E48 VanDerWaalsContact OD1-CB 3.25Å; N12-E48 WeakPolarHBondContact OD1-CB 3.31Å; N12-E48 WeakPolarHBondContact OD1-CG 3.41Å; N12-E48 PolarHBondContact OD1-OE1 2.88Å; W14-E48 WeakPolarHBondContact CA-OE2 3.27Å; A15-E48 WeakPolarHBondContact CA-O 3.28Å; A15-E48 VanDerWaalsContact CB-O 3.24Å; A15-E48 WeakPolarHBondContact CB-O 3.16Å; A15-E48 PolarHBondContact N-O 3.45Å; V16-E48 WeakPolarHBondContact CG2-OE2 3.34Å; E48-W50 VanDerWaalsContact C-N 3.3Å; E48-W50 HydrophobicContact CB-CZ2 4.2Å; E48-W50 HydrophobicContact CG-CH2 4.38Å; E48-W50 HydrophobicContact CG-CZ2 3.55Å; E48-W50 PolarHBondContact O-N 3.02Å; E48-W50 PolarHBondContact OE2-NE1 3.09Å; E48-G80 PolarHBondContact N-O 2.75Å; E48-H136 VanDerWaalsContact CG-CE1 3.44Å; E48-H136 WeakPolarHBondContact CG-CE1 3.23Å; E48-H136 IonicContact OE1-CE1 3.62Å; E48-H136 PolarHBondContact OE1-CE1 3.28Å; E48-H136 IonicContact OE1-NE2 3.38Å | ||
| 49 | I | 94.9 | Very high | 96 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -85.6 | 76.8 | 163.6 | -55.5 | -57.7 | 0 | 0 | 0 | 108.5 | C13 A15 L46 Q47 D54 L58 Y71 G80 | C13-I49 HydrophobicContact CB-CD1 3.55Å; C13-I49 HydrophobicContact CB-CG1 4.48Å; A15-I49 HydrophobicContact CB-CD1 4.23Å; L46-I49 HydrophobicContact CB-CG1 4.06Å; L46-I49 HydrophobicContact CD1-CG1 4.35Å; Q47-I49 VanDerWaalsContact C-N 3.31Å; Q47-I49 PolarHBondContact O-N 2.92Å; I49-D54 HydrophobicContact CG2-CB 3.94Å; I49-L58 HydrophobicContact CD1-CD1 3.68Å; I49-L58 HydrophobicContact CG1-CD1 4.07Å; I49-L58 HydrophobicContact CG2-CD1 4.3Å; I49-Y71 HydrophobicContact CB-CE2 4.47Å; I49-Y71 HydrophobicContact CG2-CE2 4.34Å; I49-Y71 VanDerWaalsContact O-CE2 3.27Å; I49-Y71 WeakPolarHBondContact O-CE2 3.38Å; I49-Y71 PolarHBondContact O-OH 3.03Å; I49-G80 PolarHBondContact N-O 2.83Å; I49-G80 WeakPolarHBondContact O-CA 3.01Å | ||
| 50 | W | 90 | Very high | 96.2 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 5% | 0.045 | 18% | 0.182 | C | C | . | . | trans | -72.5 | -33.8 | -167.6 | -60.8 | 106 | 0 | 0 | 0 | 114.5 | V16 F17 E48 I77 C113 H136 | V16-W50 VanDerWaalsContact CA-CD1 3.4Å; F17-W50 HydrophobicContact CD1-CB 3.91Å; F17-W50 HydrophobicContact CD1-CG 4.35Å; E48-W50 VanDerWaalsContact C-N 3.3Å; E48-W50 HydrophobicContact CB-CZ2 4.2Å; E48-W50 HydrophobicContact CG-CH2 4.38Å; E48-W50 HydrophobicContact CG-CZ2 3.55Å; E48-W50 PolarHBondContact O-N 3.02Å; E48-W50 PolarHBondContact OE2-NE1 3.09Å; W50-I77 WeakPolarHBondContact O-CG2 3.36Å; W50-C113 HydrophobicContact CE3-CB 3.89Å; W50-C113 HydrophobicContact CH2-CB 4.09Å; W50-C113 HydrophobicContact CZ3-CB 3.31Å; W50-C113 WeakPolarHBondContact CZ3-SG 3.44Å; W50-H136 AromaticContact CH2-CE1 3.82Å; W50-H136 AromaticContact CH2-ND1 3.91Å; W50-H136 AromaticContact CZ2-CE1 3.94Å | ||
| 51 | L | 90.2 | Very high | 96.3 | Very high | 59 Ų | 59 | 37.5 Ų | 37.5 | 31% | 0.309 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -94.2 | 133.6 | 179.2 | -59.2 | 176.1 | 0 | 0 | 0 | 110.6 | F17 S53 D54 Y55 | F17-L51 HydrophobicContact CB-CD1 4.18Å; F17-L51 HydrophobicContact CB-CD2 3.76Å; F17-L51 HydrophobicContact CB-CG 3.99Å; F17-L51 HydrophobicContact CG-CD2 4.46Å; L51-S53 WeakPolarHBondContact CB-OG 3.3Å; L51-S53 PolarHBondContact O-N 2.73Å; L51-D54 HydrophobicContact CB-CB 4.44Å; L51-D54 WeakPolarHBondContact O-CB 3.46Å; L51-D54 PolarHBondContact O-N 2.74Å; L51-Y55 PolarHBondContact O-N 3.28Å |
| 52 | E | 91.6 | Very high | 96.3 | Very high | 71 Ų | 71 | 37.3 Ų | 37.3 | 33% | 0.332 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.2 | -31.3 | 172.4 | -167.9 | -174.9 | 179.7 | 0 | 0 | 111.7 | D54 Y55 R56 Y73 | E52-D54 VanDerWaalsContact C-N 3.28Å; E52-D54 PolarHBondContact O-N 3.49Å; E52-Y55 PolarHBondContact O-N 2.68Å; E52-R56 HydrophobicContact CG-CG 4.45Å; E52-R56 VanDerWaalsContact O-CG 3.31Å; E52-R56 WeakPolarHBondContact O-CG 3.18Å; E52-R56 PolarHBondContact O-N 3.23Å; E52-R56 IonicContact OE1-CZ 3.04Å; E52-R56 IonicContact OE1-NE 2.79Å; E52-R56 PolarHBondContact OE1-NE 3.32Å; E52-R56 IonicContact OE1-NH2 2.73Å; E52-R56 PolarHBondContact OE1-NH2 3.06Å; E52-R56 IonicContact OE2-CZ 3.15Å; E52-R56 IonicContact OE2-NH2 2.76Å; E52-R56 PolarHBondContact OE2-NH2 3.42Å; E52-Y73 HydrophobicContact CG-CE1 4.43Å; E52-Y73 PolarHBondContact OE1-OH 2.78Å |
| 53 | S | 93.8 | Very high | 96.2 | Very high | 71 Ų | 71 | 39.7 Ų | 39.7 | 50% | 0.497 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 174.1 | 56.7 | 0 | 0 | 0 | 0 | 112.8 | L51 R56 K57 | L51-S53 WeakPolarHBondContact CB-OG 3.3Å; L51-S53 PolarHBondContact O-N 2.73Å; S53-R56 PolarHBondContact O-N 3.21Å; S53-K57 WeakPolarHBondContact O-CB 3.44Å; S53-K57 PolarHBondContact O-N 2.98Å |
| 54 | D | 95.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.2 | -41.2 | 179.4 | -62.8 | -23.6 | 0 | 0 | 0 | 110.6 | K25 I49 L51 E52 K57 L58 | K25-D54 WeakPolarHBondContact CE-OD2 3.49Å; K25-D54 IonicContact NZ-OD1 3.82Å; K25-D54 PolarHBondContact NZ-OD1 3.2Å; K25-D54 IonicContact NZ-OD2 2.81Å; K25-D54 PolarHBondContact NZ-OD2 3.12Å; I49-D54 HydrophobicContact CG2-CB 3.94Å; L51-D54 HydrophobicContact CB-CB 4.44Å; L51-D54 WeakPolarHBondContact O-CB 3.46Å; L51-D54 PolarHBondContact O-N 2.74Å; E52-D54 VanDerWaalsContact C-N 3.28Å; E52-D54 PolarHBondContact O-N 3.49Å; D54-K57 WeakPolarHBondContact O-CB 3.38Å; D54-K57 PolarHBondContact O-N 2.78Å; D54-L58 WeakPolarHBondContact O-CG 3.28Å; D54-L58 PolarHBondContact O-N 3.16Å |
| 55 | Y | 96.5 | Very high | 96 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.3 | -47.7 | 171.8 | 167.3 | -110.1 | 0 | 0 | 0 | 111.6 | L51 E52 K57 L58 R59 S69 Y71 C82 F84 | L51-Y55 PolarHBondContact O-N 3.28Å; E52-Y55 PolarHBondContact O-N 2.68Å; Y55-K57 VanDerWaalsContact C-N 3.29Å; Y55-K57 PolarHBondContact O-N 2.71Å; Y55-L58 PolarHBondContact O-N 3.09Å; Y55-R59 WeakPolarHBondContact O-CB 3.32Å; Y55-R59 PolarHBondContact O-N 3.04Å; Y55-S69 PolarHBondContact OH-OG 2.8Å; Y55-Y71 HydrophobicContact CD1-CD2 4.03Å; Y55-Y71 HydrophobicContact CD1-CG 4.07Å; Y55-Y71 AromaticContact CD2-CD2 3.85Å; Y55-Y71 HydrophobicContact CD2-CD2 3.85Å; Y55-Y71 HydrophobicContact CD2-CG 4.44Å; Y55-Y71 HydrophobicContact CE1-CG 4.49Å; Y55-Y71 AromaticContact CG-CD2 3.53Å; Y55-Y71 HydrophobicContact CG-CD2 3.53Å; Y55-Y71 HydrophobicContact CG-CE2 4.41Å; Y55-Y71 HydrophobicContact CG-CG 4.04Å; Y55-C82 HydrophobicContact CD2-CB 3.79Å; Y55-C82 HydrophobicContact CE2-CB 4Å; Y55-F84 HydrophobicContact CD2-CE1 4.5Å; Y55-F84 AromaticContact CD2-CZ 3.83Å; Y55-F84 HydrophobicContact CD2-CZ 3.83Å; Y55-F84 HydrophobicContact CE2-CE1 4Å; Y55-F84 AromaticContact CE2-CZ 3.73Å; Y55-F84 HydrophobicContact CE2-CZ 3.73Å |
| 56 | R | 97 | Very high | 96 | Very high | 134 Ų | 134 | 52.2 Ų | 52.2 | 51% | 0.506 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.4 | -38.4 | 177.8 | -71.2 | 175.8 | -174.5 | -174.5 | 4.6 | 111.6 | E52 S53 R59 N60 | E52-R56 HydrophobicContact CG-CG 4.45Å; E52-R56 VanDerWaalsContact O-CG 3.31Å; E52-R56 WeakPolarHBondContact O-CG 3.18Å; E52-R56 PolarHBondContact O-N 3.23Å; E52-R56 IonicContact OE1-CZ 3.04Å; E52-R56 IonicContact OE1-NE 2.79Å; E52-R56 PolarHBondContact OE1-NE 3.32Å; E52-R56 IonicContact OE1-NH2 2.73Å; E52-R56 PolarHBondContact OE1-NH2 3.06Å; E52-R56 IonicContact OE2-CZ 3.15Å; E52-R56 IonicContact OE2-NH2 2.76Å; E52-R56 PolarHBondContact OE2-NH2 3.42Å; S53-R56 PolarHBondContact O-N 3.21Å; R56-R59 PolarHBondContact O-N 3.01Å; R56-N60 WeakPolarHBondContact O-CB 3.46Å; R56-N60 PolarHBondContact O-N 2.76Å; R56-N60 PolarHBondContact O-ND2 3.5Å; R56-N60 PolarHBondContact O-OD1 3.06Å |
| 57 | K | 97.3 | Very high | 96 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 27% | 0.27 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.1 | -50.4 | 174.9 | -168.3 | -174.3 | -152.2 | -177.4 | 0 | 111.5 | E26 V29 N30 S53 D54 Y55 N60 I61 | E26-K57 IonicContact OE2-NZ 2.99Å; E26-K57 PolarHBondContact OE2-NZ 3.28Å; V29-K57 HydrophobicContact CG1-CD 4.39Å; N30-K57 WeakPolarHBondContact OD1-CE 3.27Å; N30-K57 PolarHBondContact OD1-NZ 3.15Å; S53-K57 WeakPolarHBondContact O-CB 3.44Å; S53-K57 PolarHBondContact O-N 2.98Å; D54-K57 WeakPolarHBondContact O-CB 3.38Å; D54-K57 PolarHBondContact O-N 2.78Å; Y55-K57 VanDerWaalsContact C-N 3.29Å; Y55-K57 PolarHBondContact O-N 2.71Å; K57-N60 PolarHBondContact O-N 2.76Å; K57-I61 HydrophobicContact CG-CD1 4.26Å; K57-I61 WeakPolarHBondContact O-CG1 3.27Å; K57-I61 PolarHBondContact O-N 3.45Å |
| 58 | L | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.1 | -49.2 | 175.7 | -74.1 | 168.3 | 0 | 0 | 0 | 110.8 | V29 I32 A33 L46 I49 D54 Y55 N60 I61 L62 F84 | V29-L58 HydrophobicContact CG1-CG 4.46Å; I32-L58 HydrophobicContact CG2-CD2 4.39Å; A33-L58 HydrophobicContact CB-CD2 3.72Å; L46-L58 HydrophobicContact CD1-CD1 3.96Å; I49-L58 HydrophobicContact CD1-CD1 3.68Å; I49-L58 HydrophobicContact CG1-CD1 4.07Å; I49-L58 HydrophobicContact CG2-CD1 4.3Å; D54-L58 WeakPolarHBondContact O-CG 3.28Å; D54-L58 PolarHBondContact O-N 3.16Å; Y55-L58 PolarHBondContact O-N 3.09Å; L58-N60 PolarHBondContact O-N 3.26Å; L58-I61 PolarHBondContact O-N 3.05Å; L58-L62 HydrophobicContact CB-CD1 4.45Å; L58-L62 VanDerWaalsContact O-CB 3.23Å; L58-L62 WeakPolarHBondContact O-CB 3.37Å; L58-L62 WeakPolarHBondContact O-CG 3.31Å; L58-L62 PolarHBondContact O-N 2.8Å; L58-F84 HydrophobicContact CB-CE1 4.49Å; L58-F84 HydrophobicContact CB-CE2 4.42Å; L58-F84 HydrophobicContact CB-CZ 3.79Å |
| 59 | R | 98 | Very high | 96.2 | Very high | 111 Ų | 111 | 59.5 Ų | 59.5 | 42% | 0.419 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.9 | -50.8 | 177.7 | -178.7 | 179.6 | 175.4 | 179.9 | -0.1 | 112 | Y55 R56 I61 L62 D63 F84 | Y55-R59 WeakPolarHBondContact O-CB 3.32Å; Y55-R59 PolarHBondContact O-N 3.04Å; R56-R59 PolarHBondContact O-N 3.01Å; R59-I61 VanDerWaalsContact C-N 3.28Å; R59-I61 PolarHBondContact O-N 3.31Å; R59-L62 PolarHBondContact O-N 3.37Å; R59-D63 WeakPolarHBondContact O-CA 3.24Å; R59-D63 WeakPolarHBondContact O-CB 3.28Å; R59-D63 PolarHBondContact O-N 2.95Å; R59-F84 HydrophobicContact CB-CE1 4.06Å |
| 60 | N | 98 | Very high | 96.3 | Very high | 126 Ų | 126 | 61.2 Ų | 61.2 | 67% | 0.674 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.2 | -36.1 | -178.3 | -69.2 | -14.2 | 0 | 0 | 0 | 112.9 | R56 K57 L58 | R56-N60 WeakPolarHBondContact O-CB 3.46Å; R56-N60 PolarHBondContact O-N 2.76Å; R56-N60 PolarHBondContact O-ND2 3.5Å; R56-N60 PolarHBondContact O-OD1 3.06Å; K57-N60 PolarHBondContact O-N 2.76Å; L58-N60 PolarHBondContact O-N 3.26Å |
| 61 | I | 97.7 | Very high | 96.6 | Very high | 75 Ų | 75 | 60.8 Ų | 60.8 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -76.8 | -33.5 | 178.9 | -65.9 | 167.7 | 0 | 0 | 0 | 111.3 | A33 K57 L58 R59 | A33-I61 HydrophobicContact CB-CB 4.29Å; A33-I61 HydrophobicContact CB-CD1 3.7Å; A33-I61 HydrophobicContact CB-CG2 3.98Å; K57-I61 HydrophobicContact CG-CD1 4.26Å; K57-I61 WeakPolarHBondContact O-CG1 3.27Å; K57-I61 PolarHBondContact O-N 3.45Å; L58-I61 PolarHBondContact O-N 3.05Å; R59-I61 VanDerWaalsContact C-N 3.28Å; R59-I61 PolarHBondContact O-N 3.31Å |
| 62 | L | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -92.5 | -12 | -174 | -64.7 | 179.9 | 0 | 0 | 0 | 113.9 | L36 L58 R59 E64 K65 Y66 F84 | L36-L62 HydrophobicContact CB-CD1 4.21Å; L36-L62 HydrophobicContact CB-CD2 3.62Å; L36-L62 HydrophobicContact CD1-CD1 4.05Å; L58-L62 HydrophobicContact CB-CD1 4.45Å; L58-L62 VanDerWaalsContact O-CB 3.23Å; L58-L62 WeakPolarHBondContact O-CB 3.37Å; L58-L62 WeakPolarHBondContact O-CG 3.31Å; L58-L62 PolarHBondContact O-N 2.8Å; R59-L62 PolarHBondContact O-N 3.37Å; L62-E64 VanDerWaalsContact C-N 3.28Å; L62-E64 PolarHBondContact O-N 3.44Å; L62-K65 PolarHBondContact O-N 3.42Å; L62-Y66 HydrophobicContact CB-CD2 3.95Å; L62-Y66 HydrophobicContact CD2-CD2 4.2Å; L62-Y66 HydrophobicContact CD2-CE2 4.2Å; L62-Y66 HydrophobicContact CG-CD2 4.49Å; L62-Y66 PolarHBondContact O-N 3.23Å; L62-F84 HydrophobicContact CB-CD1 4.37Å; L62-F84 HydrophobicContact CD1-CD1 4.11Å; L62-F84 HydrophobicContact CD1-CD2 4.31Å; L62-F84 HydrophobicContact CD1-CE1 4.26Å; L62-F84 HydrophobicContact CD1-CE2 4.41Å; L62-F84 HydrophobicContact CD1-CG 4.16Å; L62-F84 HydrophobicContact CD1-CZ 4.39Å |
| 63 | D | 97.1 | Very high | 96.9 | Very high | 73 Ų | 73 | 60.8 Ų | 60.8 | 39% | 0.39 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -38.6 | -170.4 | -160.6 | 65.2 | 0 | 0 | 0 | 113.6 | R59 K65 P67 | R59-D63 WeakPolarHBondContact O-CA 3.24Å; R59-D63 WeakPolarHBondContact O-CB 3.28Å; R59-D63 PolarHBondContact O-N 2.95Å; D63-K65 VanDerWaalsContact C-N 3.28Å; D63-K65 PolarHBondContact O-N 2.97Å; D63-P67 VanDerWaalsContact O-CA 3.31Å; D63-P67 WeakPolarHBondContact O-CA 3.39Å |
| 64 | E | 96.1 | Very high | 96.6 | Very high | 195 Ų | 195 | 58.3 Ų | 58.3 | 91% | 0.911 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -38.4 | 179.7 | -174.8 | -178.4 | 175.8 | 0 | 0 | 112.3 | L62 | L62-E64 VanDerWaalsContact C-N 3.28Å; L62-E64 PolarHBondContact O-N 3.44Å |
| 65 | K | 97.3 | Very high | 96.1 | Very high | 68 Ų | 68 | 63.2 Ų | 63.2 | 30% | 0.296 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -34.3 | -176.2 | -168.9 | 169.6 | -164.5 | 161.6 | 0 | 112.6 | S37 G39 L62 D63 P67 K86 | S37-K65 WeakPolarHBondContact O-CD 3.35Å; S37-K65 PolarHBondContact O-NZ 2.86Å; G39-K65 WeakPolarHBondContact O-CE 2.97Å; G39-K65 PolarHBondContact O-NZ 2.97Å; L62-K65 PolarHBondContact O-N 3.42Å; D63-K65 VanDerWaalsContact C-N 3.28Å; D63-K65 PolarHBondContact O-N 2.97Å; K65-P67 VanDerWaalsContact C-CD 3.4Å; K65-P67 WeakPolarHBondContact O-CD 3.41Å; K65-K86 WeakPolarHBondContact O-CG 3.47Å |
| 66 | Y | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | trans | -123.9 | 69.2 | -176.8 | -50.3 | -86.2 | 0 | 0 | 0 | 109.8 | L36 G39 F41 I44 L62 Y68 F84 S85 K86 | L36-Y66 WeakPolarHBondContact O-CE2 3.41Å; L36-Y66 PolarHBondContact O-OH 2.88Å; G39-Y66 PolarHBondContact O-OH 3.48Å; F41-Y66 WeakPolarHBondContact O-CE1 3.03Å; F41-Y66 PolarHBondContact O-OH 2.9Å; I44-Y66 HydrophobicContact CD1-CD1 4.09Å; I44-Y66 HydrophobicContact CD1-CD2 4.28Å; I44-Y66 HydrophobicContact CD1-CE1 3.53Å; I44-Y66 HydrophobicContact CD1-CE2 3.74Å; I44-Y66 HydrophobicContact CD1-CG 4.43Å; I44-Y66 HydrophobicContact CG1-CE1 4.26Å; L62-Y66 HydrophobicContact CB-CD2 3.95Å; L62-Y66 HydrophobicContact CD2-CD2 4.2Å; L62-Y66 HydrophobicContact CD2-CE2 4.2Å; L62-Y66 HydrophobicContact CG-CD2 4.49Å; L62-Y66 PolarHBondContact O-N 3.23Å; Y66-Y68 PolarHBondContact O-N 3.06Å; Y66-Y68 VanDerWaalsContact O-N 3.15Å; Y66-F84 HydrophobicContact CD1-CB 4.46Å; Y66-F84 HydrophobicContact CG-CB 4.18Å; Y66-S85 CarbonylContact C-O 3.52Å; Y66-S85 WeakPolarHBondContact CA-O 3.4Å; Y66-K86 HydrophobicContact CD1-CG 3.89Å; Y66-K86 HydrophobicContact CE1-CG 3.97Å | ||
| 67 | P | 97.7 | Very high | 94.5 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | trans | -66.5 | -18.3 | -173.8 | 26.2 | -34.9 | 0 | 0 | 0 | 113.1 | D63 K65 | D63-P67 VanDerWaalsContact O-CA 3.31Å; D63-P67 WeakPolarHBondContact O-CA 3.39Å; K65-P67 VanDerWaalsContact C-CD 3.4Å; K65-P67 WeakPolarHBondContact O-CD 3.41Å | ||
| 68 | Y | 98.5 | Very high | 93.7 | Very high | 94 Ų | 94 | 62.7 Ų | 62.7 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 115.2 | 177.3 | -52.5 | -80 | 0 | 0 | 0 | 109.3 | Y66 S85 W87 T88 | Y66-Y68 PolarHBondContact O-N 3.06Å; Y66-Y68 VanDerWaalsContact O-N 3.15Å; Y68-S85 PolarHBondContact N-O 3.34Å; Y68-S85 PolarHBondContact O-N 3.17Å; Y68-W87 WeakPolarHBondContact CB-O 3.37Å; Y68-W87 WeakPolarHBondContact CD2-O 3.2Å; Y68-W87 VanDerWaalsContact CG-O 3.28Å; Y68-T88 HydrophobicContact CE1-CG2 4.11Å; Y68-T88 PolarHBondContact OH-OG1 3.3Å |
| 69 | S | 98.2 | Very high | 93.2 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155 | 176.8 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | Y55 I83 F84 | Y55-S69 PolarHBondContact OH-OG 2.8Å; S69-I83 CarbonylContact C-O 3.56Å; S69-I83 WeakPolarHBondContact CA-O 3.49Å; S69-I83 VanDerWaalsContact CB-O 3.29Å; S69-I83 WeakPolarHBondContact CB-O 3.49Å; S69-F84 VanDerWaalsContact CB-CD1 3.42Å |
| 70 | N | 97.8 | Very high | 92.9 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 20% | 0.198 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 136.7 | 175.4 | -176 | 73.9 | 0 | 0 | 0 | 110.8 | F72 C82 I83 V92 | N70-F72 WeakPolarHBondContact ND2-CD1 3.34Å; N70-F72 WeakPolarHBondContact ND2-CE1 3.34Å; N70-C82 CarbonylContact O-C 3.56Å; N70-C82 VanDerWaalsContact O-CA 3.24Å; N70-C82 WeakPolarHBondContact O-CA 3.36Å; N70-C82 WeakPolarHBondContact O-CB 3.33Å; N70-I83 HydrophobicContact CB-CG2 3.84Å; N70-I83 PolarHBondContact N-O 3.28Å; N70-I83 PolarHBondContact O-N 2.8Å; N70-V92 HydrophobicContact CB-CG1 4Å |
| 71 | Y | 96.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 128.1 | 167.2 | -170.6 | -96.6 | 0 | 0 | 0 | 109.1 | I49 Y55 Y73 G80 C82 | I49-Y71 HydrophobicContact CB-CE2 4.47Å; I49-Y71 HydrophobicContact CG2-CE2 4.34Å; I49-Y71 VanDerWaalsContact O-CE2 3.27Å; I49-Y71 WeakPolarHBondContact O-CE2 3.38Å; I49-Y71 PolarHBondContact O-OH 3.03Å; Y55-Y71 HydrophobicContact CD1-CD2 4.03Å; Y55-Y71 HydrophobicContact CD1-CG 4.07Å; Y55-Y71 AromaticContact CD2-CD2 3.85Å; Y55-Y71 HydrophobicContact CD2-CD2 3.85Å; Y55-Y71 HydrophobicContact CD2-CG 4.44Å; Y55-Y71 HydrophobicContact CE1-CG 4.49Å; Y55-Y71 AromaticContact CG-CD2 3.53Å; Y55-Y71 HydrophobicContact CG-CD2 3.53Å; Y55-Y71 HydrophobicContact CG-CE2 4.41Å; Y55-Y71 HydrophobicContact CG-CG 4.04Å; Y71-Y73 AromaticContact CD1-CD1 3.74Å; Y71-Y73 HydrophobicContact CD1-CD1 3.74Å; Y71-Y73 HydrophobicContact CD1-CD2 4.03Å; Y71-Y73 AromaticContact CD1-CE1 3.74Å; Y71-Y73 HydrophobicContact CD1-CE1 3.74Å; Y71-Y73 HydrophobicContact CD1-CE2 4.02Å; Y71-Y73 AromaticContact CD1-CG 3.89Å; Y71-Y73 HydrophobicContact CD1-CG 3.89Å; Y71-Y73 AromaticContact CD1-CZ 3.89Å; Y71-Y73 HydrophobicContact CE1-CD1 4.1Å; Y71-Y73 HydrophobicContact CE1-CE1 4.28Å; Y71-Y73 HydrophobicContact CE1-CG 4.5Å; Y71-Y73 HydrophobicContact CG-CE2 4.5Å; Y71-Y73 VanDerWaalsContact O-CD2 3.23Å; Y71-Y73 WeakPolarHBondContact O-CD2 3.33Å; Y71-Y73 PolarHBondContact O-N 3.01Å; Y71-Y73 VanDerWaalsContact O-N 3.1Å; Y71-G80 PolarHBondContact OH-N 2.97Å; Y71-C82 HydrophobicContact CD2-CB 3.89Å |
| 72 | F | 95.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | trans | -84.5 | 88.3 | -178.9 | -62.2 | -81.4 | 0 | 0 | 0 | 109.3 | N70 T79 M81 I83 V92 T94 G118 V134 | N70-F72 WeakPolarHBondContact ND2-CD1 3.34Å; N70-F72 WeakPolarHBondContact ND2-CE1 3.34Å; F72-T79 HydrophobicContact CB-CG2 4.36Å; F72-T79 WeakPolarHBondContact O-CB 3.5Å; F72-T79 WeakPolarHBondContact O-CG2 3.31Å; F72-T79 PolarHBondContact O-N 3.03Å; F72-T79 PolarHBondContact O-OG1 2.83Å; F72-M81 HydrophobicContact CB-CB 4.42Å; F72-M81 HydrophobicContact CD2-CB 4Å; F72-M81 WeakPolarHBondContact CD2-O 3.13Å; F72-M81 PolarHBondContact N-O 2.73Å; F72-I83 HydrophobicContact CE2-CB 4.11Å; F72-I83 HydrophobicContact CE2-CG2 3.84Å; F72-I83 HydrophobicContact CZ-CB 4.46Å; F72-I83 HydrophobicContact CZ-CG2 3.88Å; F72-V92 HydrophobicContact CE1-CB 4.44Å; F72-T94 HydrophobicContact CB-CG2 4.16Å; F72-T94 WeakPolarHBondContact CD1-OG1 3.48Å; F72-G118 VanDerWaalsContact CE1-CA 3.48Å; F72-V134 HydrophobicContact CD2-CG1 3.84Å; F72-V134 HydrophobicContact CE2-CG1 3.46Å; F72-V134 VanDerWaalsContact CE2-CG1 3.46Å; F72-V134 HydrophobicContact CZ-CG1 4.13Å | ||
| 73 | Y | 91.6 | Very high | 92.9 | Very high | 129 Ų | 129 | 47.7 Ų | 47.7 | 51% | 0.506 | 24% | 0.236 | S | C | . | . | trans | -65 | 138 | 178.3 | -65.1 | -88.3 | 0 | 0 | 0 | 111.8 | E52 Y71 | E52-Y73 HydrophobicContact CG-CE1 4.43Å; E52-Y73 PolarHBondContact OE1-OH 2.78Å; Y71-Y73 AromaticContact CD1-CD1 3.74Å; Y71-Y73 HydrophobicContact CD1-CD1 3.74Å; Y71-Y73 HydrophobicContact CD1-CD2 4.03Å; Y71-Y73 AromaticContact CD1-CE1 3.74Å; Y71-Y73 HydrophobicContact CD1-CE1 3.74Å; Y71-Y73 HydrophobicContact CD1-CE2 4.02Å; Y71-Y73 AromaticContact CD1-CG 3.89Å; Y71-Y73 HydrophobicContact CD1-CG 3.89Å; Y71-Y73 AromaticContact CD1-CZ 3.89Å; Y71-Y73 HydrophobicContact CE1-CD1 4.1Å; Y71-Y73 HydrophobicContact CE1-CE1 4.28Å; Y71-Y73 HydrophobicContact CE1-CG 4.5Å; Y71-Y73 HydrophobicContact CG-CE2 4.5Å; Y71-Y73 VanDerWaalsContact O-CD2 3.23Å; Y71-Y73 WeakPolarHBondContact O-CD2 3.33Å; Y71-Y73 PolarHBondContact O-N 3.01Å; Y71-Y73 VanDerWaalsContact O-N 3.1Å | ||
| 74 | C | 87.1 | Confident | 93 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | trans | -162.8 | 151.3 | 172.1 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | G78 T79 P96 | C74-G78 WeakPolarHBondContact O-CA 3.43Å; C74-G78 PolarHBondContact O-N 3.35Å; C74-T79 HydrophobicContact CB-CG2 3.4Å; C74-T79 VanDerWaalsContact CB-CG2 3.4Å; C74-P96 WeakPolarHBondContact SG-CB 3.26Å | ||
| 75 | N | 84.4 | Confident | 93.1 | Very high | 106 Ų | 106 | 35 Ų | 35 | 57% | 0.567 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | -146.3 | 174.6 | -73.3 | -3.8 | 0 | 0 | 0 | 113.4 | Y111 Y112 G114 | N75-Y111 PolarHBondContact ND2-O 3.15Å; N75-Y112 WeakPolarHBondContact CB-O 3.46Å; N75-G114 WeakPolarHBondContact ND2-CA 2.89Å |
| 76 | L | 82.1 | Confident | 93.1 | Very high | 140 Ų | 140 | 34.6 Ų | 34.6 | 73% | 0.733 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -39.5 | -170.2 | -178.2 | 62.9 | 0 | 0 | 0 | 112.1 | Y112 | L76-Y112 HydrophobicContact CD2-CD1 3.95Å; L76-Y112 PolarHBondContact N-O 3.29Å; L76-Y112 VanDerWaalsContact N-O 3.08Å |
| 77 | I | 79.8 | Confident | 93.2 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 26% | 0.262 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -33.5 | -173.9 | -61 | 173.1 | 0 | 0 | 0 | 111.5 | F17 W50 Y112 | F17-I77 HydrophobicContact CE1-CD1 3.78Å; F17-I77 HydrophobicContact CE1-CG2 4.44Å; F17-I77 HydrophobicContact CZ-CD1 3.7Å; W50-I77 WeakPolarHBondContact O-CG2 3.36Å; I77-Y112 PolarHBondContact N-O 3.02Å |
| 78 | G | 79.9 | Confident | 93.2 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | 112.1 | 153.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C74 G80 C113 | C74-G78 WeakPolarHBondContact O-CA 3.43Å; C74-G78 PolarHBondContact O-N 3.35Å; G78-G80 PolarHBondContact O-N 3.16Å; G78-C113 CarbonylContact C-O 3.54Å; G78-C113 CarbonylContact O-C 3.55Å; G78-C113 VanDerWaalsContact O-CA 3.3Å; G78-C113 WeakPolarHBondContact O-CA 3.29Å; G78-C113 VanDerWaalsContact O-CB 3.32Å; G78-C113 WeakPolarHBondContact O-CB 3.47Å | ||
| 79 | T | 86.4 | Confident | 93.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -62.1 | -15.2 | -179.3 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | F72 C74 M81 T94 C113 G114 | F72-T79 HydrophobicContact CB-CG2 4.36Å; F72-T79 WeakPolarHBondContact O-CB 3.5Å; F72-T79 WeakPolarHBondContact O-CG2 3.31Å; F72-T79 PolarHBondContact O-N 3.03Å; F72-T79 PolarHBondContact O-OG1 2.83Å; C74-T79 HydrophobicContact CB-CG2 3.4Å; C74-T79 VanDerWaalsContact CB-CG2 3.4Å; T79-M81 HydrophobicContact CG2-CE 3.84Å; T79-M81 PolarHBondContact O-N 2.95Å; T79-M81 WeakPolarHBondContact OG1-CB 3.38Å; T79-M81 PolarHBondContact OG1-N 2.83Å; T79-T94 HydrophobicContact CG2-CG2 4.14Å; T79-C113 PolarHBondContact N-O 3.47Å; T79-G114 WeakPolarHBondContact CG2-O 3.2Å | ||
| 80 | G | 92.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 74.7 | 2.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q47 E48 I49 Y71 G78 | Q47-G80 CarbonylContact C-O 3.44Å; E48-G80 PolarHBondContact N-O 2.75Å; I49-G80 PolarHBondContact N-O 2.83Å; I49-G80 WeakPolarHBondContact O-CA 3.01Å; Y71-G80 PolarHBondContact OH-N 2.97Å; G78-G80 PolarHBondContact O-N 3.16Å |
| 81 | M | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -101.5 | 139.9 | -175.7 | -54.3 | -175.8 | -67 | 0 | 0 | 111.7 | L46 F72 T79 G116 V134 T135 H136 | L46-M81 VanDerWaalsContact O-CA 3.26Å; L46-M81 WeakPolarHBondContact O-CA 3.12Å; F72-M81 HydrophobicContact CB-CB 4.42Å; F72-M81 HydrophobicContact CD2-CB 4Å; F72-M81 WeakPolarHBondContact CD2-O 3.13Å; F72-M81 PolarHBondContact N-O 2.73Å; T79-M81 HydrophobicContact CG2-CE 3.84Å; T79-M81 PolarHBondContact O-N 2.95Å; T79-M81 WeakPolarHBondContact OG1-CB 3.38Å; T79-M81 PolarHBondContact OG1-N 2.83Å; M81-G116 WeakPolarHBondContact CE-O 3.41Å; M81-V134 HydrophobicContact CB-CG1 4.07Å; M81-V134 HydrophobicContact CB-CG2 4.31Å; M81-V134 HydrophobicContact CG-CG2 4.33Å; M81-V134 HydrophobicContact SD-CB 4.47Å; M81-V134 HydrophobicContact SD-CG1 4.14Å; M81-V134 HydrophobicContact SD-CG2 3.98Å; M81-T135 VanDerWaalsContact SD-C 3.57Å; M81-H136 HydrophobicContact CG-CB 4.26Å; M81-H136 HydrophobicContact SD-CB 4.03Å | ||
| 82 | C | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 159.9 | 171.7 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | L45 L46 Y55 N70 Y71 F84 | L45-C82 WeakPolarHBondContact CA-O 3.28Å; L46-C82 PolarHBondContact N-O 2.87Å; L46-C82 PolarHBondContact O-N 3.27Å; Y55-C82 HydrophobicContact CD2-CB 3.79Å; Y55-C82 HydrophobicContact CE2-CB 4Å; N70-C82 CarbonylContact O-C 3.56Å; N70-C82 VanDerWaalsContact O-CA 3.24Å; N70-C82 WeakPolarHBondContact O-CA 3.36Å; N70-C82 WeakPolarHBondContact O-CB 3.33Å; Y71-C82 HydrophobicContact CD2-CB 3.89Å; C82-F84 HydrophobicContact CB-CE2 4.41Å |
| 83 | I | 98.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 140.7 | 177.6 | -172.6 | 170.6 | 0 | 0 | 0 | 110 | V43 I44 L45 S69 N70 F72 I89 A120 I122 F132 | V43-I83 HydrophobicContact CG1-CD1 3.79Å; V43-I83 HydrophobicContact CG1-CG1 3.95Å; I44-I83 CarbonylContact O-C 3.53Å; I44-I83 VanDerWaalsContact O-CA 3.28Å; I44-I83 WeakPolarHBondContact O-CA 3.5Å; L45-I83 HydrophobicContact CD2-CD1 3.89Å; L45-I83 HydrophobicContact CD2-CG1 4.26Å; L45-I83 HydrophobicContact CG-CD1 4.22Å; L45-I83 HydrophobicContact CG-CG1 4.16Å; S69-I83 CarbonylContact C-O 3.56Å; S69-I83 WeakPolarHBondContact CA-O 3.49Å; S69-I83 VanDerWaalsContact CB-O 3.29Å; S69-I83 WeakPolarHBondContact CB-O 3.49Å; N70-I83 HydrophobicContact CB-CG2 3.84Å; N70-I83 PolarHBondContact N-O 3.28Å; N70-I83 PolarHBondContact O-N 2.8Å; F72-I83 HydrophobicContact CE2-CB 4.11Å; F72-I83 HydrophobicContact CE2-CG2 3.84Å; F72-I83 HydrophobicContact CZ-CB 4.46Å; F72-I83 HydrophobicContact CZ-CG2 3.88Å; I83-I89 HydrophobicContact CG2-CD1 4.27Å; I83-A120 HydrophobicContact CD1-CB 3.68Å; I83-A120 HydrophobicContact CG2-CB 4.31Å; I83-I122 HydrophobicContact CD1-CD1 3.64Å; I83-F132 HydrophobicContact CD1-CB 4.02Å |
| 84 | F | 98.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.5 | 170.8 | -60.2 | -89.5 | 0 | 0 | 0 | 108.6 | V43 I44 L46 Y55 L58 R59 L62 Y66 S69 C82 | V43-F84 CarbonylContact C-O 3.36Å; V43-F84 WeakPolarHBondContact CA-O 3.46Å; I44-F84 HydrophobicContact CB-CB 4.29Å; I44-F84 PolarHBondContact N-O 3.46Å; I44-F84 PolarHBondContact O-N 2.76Å; L46-F84 HydrophobicContact CD1-CD2 4.35Å; L46-F84 HydrophobicContact CD1-CE2 3.94Å; Y55-F84 HydrophobicContact CD2-CE1 4.5Å; Y55-F84 AromaticContact CD2-CZ 3.83Å; Y55-F84 HydrophobicContact CD2-CZ 3.83Å; Y55-F84 HydrophobicContact CE2-CE1 4Å; Y55-F84 AromaticContact CE2-CZ 3.73Å; Y55-F84 HydrophobicContact CE2-CZ 3.73Å; L58-F84 HydrophobicContact CB-CE1 4.49Å; L58-F84 HydrophobicContact CB-CE2 4.42Å; L58-F84 HydrophobicContact CB-CZ 3.79Å; R59-F84 HydrophobicContact CB-CE1 4.06Å; L62-F84 HydrophobicContact CB-CD1 4.37Å; L62-F84 HydrophobicContact CD1-CD1 4.11Å; L62-F84 HydrophobicContact CD1-CD2 4.31Å; L62-F84 HydrophobicContact CD1-CE1 4.26Å; L62-F84 HydrophobicContact CD1-CE2 4.41Å; L62-F84 HydrophobicContact CD1-CG 4.16Å; L62-F84 HydrophobicContact CD1-CZ 4.39Å; Y66-F84 HydrophobicContact CD1-CB 4.46Å; Y66-F84 HydrophobicContact CG-CB 4.18Å; S69-F84 VanDerWaalsContact CB-CD1 3.42Å; C82-F84 HydrophobicContact CB-CE2 4.41Å |
| 85 | S | 98.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 140.6 | -177 | -171 | 0 | 0 | 0 | 0 | 111.4 | D42 Y66 Y68 W87 | D42-S85 WeakPolarHBondContact O-CA 3.41Å; Y66-S85 CarbonylContact C-O 3.52Å; Y66-S85 WeakPolarHBondContact CA-O 3.4Å; Y68-S85 PolarHBondContact N-O 3.34Å; Y68-S85 PolarHBondContact O-N 3.17Å; S85-W87 WeakPolarHBondContact CB-O 3.43Å; S85-W87 PolarHBondContact O-N 2.81Å; S85-W87 PolarHBondContact OG-N 2.81Å; S85-W87 PolarHBondContact OG-O 2.89Å |
| 86 | K | 98.5 | Very high | 94.3 | Very high | 59 Ų | 59 | 40.7 Ų | 40.7 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -67.7 | -22.8 | 165.7 | -65.1 | -171.3 | -174.9 | 142 | 0 | 112.1 | D40 F41 D42 K65 Y66 | D40-K86 PolarHBondContact O-NZ 2.88Å; F41-K86 WeakPolarHBondContact O-CE 3.21Å; F41-K86 PolarHBondContact O-NZ 2.88Å; D42-K86 HydrophobicContact CB-CD 4.44Å; D42-K86 PolarHBondContact O-N 2.77Å; D42-K86 WeakPolarHBondContact OD1-CD 3.38Å; D42-K86 IonicContact OD1-NZ 3.29Å; D42-K86 PolarHBondContact OD1-NZ 2.8Å; K65-K86 WeakPolarHBondContact O-CG 3.47Å; Y66-K86 HydrophobicContact CD1-CG 3.89Å; Y66-K86 HydrophobicContact CE1-CG 3.97Å |
| 87 | W | 98.5 | Very high | 94.9 | Very high | 23 Ų | 23 | 34.4 Ų | 34.4 | 9% | 0.087 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -112 | 162.4 | -170.9 | -47.2 | -45.1 | 0 | 0 | 0 | 112.1 | E4 F6 D42 V43 Y68 S85 I89 I122 T123 I130 | E4-W87 WeakPolarHBondContact OE1-CZ2 3.17Å; F6-W87 HydrophobicContact CB-CH2 3.36Å; F6-W87 HydrophobicContact CB-CZ2 3.85Å; F6-W87 HydrophobicContact CB-CZ3 4.4Å; F6-W87 HydrophobicContact CD1-CH2 4.14Å; F6-W87 HydrophobicContact CD2-CH2 4Å; F6-W87 HydrophobicContact CD2-CZ3 4.32Å; F6-W87 AromaticContact CG-CH2 3.59Å; F6-W87 HydrophobicContact CG-CH2 3.59Å; F6-W87 HydrophobicContact CG-CZ3 4.32Å; D42-W87 HydrophobicContact CB-CH2 4.13Å; D42-W87 HydrophobicContact CB-CZ2 3.95Å; V43-W87 HydrophobicContact CG2-CE3 4.14Å; V43-W87 HydrophobicContact CG2-CZ3 4.21Å; Y68-W87 WeakPolarHBondContact CB-O 3.37Å; Y68-W87 WeakPolarHBondContact CD2-O 3.2Å; Y68-W87 VanDerWaalsContact CG-O 3.28Å; S85-W87 WeakPolarHBondContact CB-O 3.43Å; S85-W87 PolarHBondContact O-N 2.81Å; S85-W87 PolarHBondContact OG-N 2.81Å; S85-W87 PolarHBondContact OG-O 2.89Å; W87-I89 PolarHBondContact O-N 2.85Å; W87-I122 HydrophobicContact CB-CG2 3.69Å; W87-I122 HydrophobicContact CE3-CG2 3.82Å; W87-T123 VanDerWaalsContact CB-O 3.3Å; W87-T123 WeakPolarHBondContact CB-O 3.49Å; W87-I130 HydrophobicContact CZ3-CD1 4.47Å |
| 88 | T | 98 | Very high | 95.6 | Very high | 69 Ų | 69 | 34.2 Ų | 34.2 | 42% | 0.423 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 125.2 | -173.3 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | Y68 E90 I122 T123 | Y68-T88 HydrophobicContact CE1-CG2 4.11Å; Y68-T88 PolarHBondContact OH-OG1 3.3Å; T88-E90 PolarHBondContact O-N 3.19Å; T88-I122 WeakPolarHBondContact O-CA 3.38Å; T88-T123 PolarHBondContact O-N 3.44Å; T88-T123 VanDerWaalsContact O-N 3.12Å |
| 89 | I | 98.4 | Very high | 96.2 | Very high | 31 Ų | 31 | 34.2 Ų | 34.2 | 16% | 0.159 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 110.6 | 168.1 | -60.4 | 167.5 | 0 | 0 | 0 | 107.7 | I83 W87 V92 A120 R121 I122 | I83-I89 HydrophobicContact CG2-CD1 4.27Å; W87-I89 PolarHBondContact O-N 2.85Å; I89-V92 HydrophobicContact CG2-CG1 3.48Å; I89-V92 VanDerWaalsContact CG2-CG1 3.48Å; I89-A120 HydrophobicContact CG2-CB 4.2Å; I89-R121 CarbonylContact C-O 3.52Å; I89-I122 HydrophobicContact CB-CG1 4.45Å; I89-I122 HydrophobicContact CG1-CD1 4.21Å; I89-I122 HydrophobicContact CG1-CG1 3.85Å |
| 90 | E | 97.3 | Very high | 96.4 | Very high | 87 Ų | 87 | 34.8 Ų | 34.8 | 41% | 0.407 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | -45.1 | 179.9 | -63 | -170.9 | 151.1 | 0 | 0 | 111.5 | T88 R121 T123 R129 | T88-E90 PolarHBondContact O-N 3.19Å; E90-R121 HydrophobicContact CB-CB 4.46Å; E90-R121 HydrophobicContact CB-CG 4.37Å; E90-R121 PolarHBondContact N-O 3.15Å; E90-R121 WeakPolarHBondContact OE2-CD 3.47Å; E90-R121 WeakPolarHBondContact OE2-CG 3.48Å; E90-T123 PolarHBondContact OE1-OG1 2.96Å; E90-R129 IonicContact OE1-NE 2.8Å; E90-R129 PolarHBondContact OE1-NE 3.46Å; E90-R129 IonicContact OE2-NE 3.27Å |
| 91 | C | 97.1 | Very high | 96.3 | Very high | 63 Ų | 63 | 35.3 Ų | 35.3 | 43% | 0.426 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 157.6 | 177.7 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | A120 R121 | C91-A120 WeakPolarHBondContact O-CA 3.3Å; C91-R121 PolarHBondContact O-N 2.87Å |
| 92 | V | 97.6 | Very high | 96 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 38% | 0.376 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.8 | 174.6 | -63 | 0 | 0 | 0 | 0 | 110.3 | N70 F72 I89 L119 A120 | N70-V92 HydrophobicContact CB-CG1 4Å; F72-V92 HydrophobicContact CE1-CB 4.44Å; I89-V92 HydrophobicContact CG2-CG1 3.48Å; I89-V92 VanDerWaalsContact CG2-CG1 3.48Å; V92-L119 CarbonylContact C-O 3.57Å; V92-L119 WeakPolarHBondContact CA-O 3.3Å; V92-A120 HydrophobicContact CG1-CB 4.16Å |
| 93 | F | 96.5 | Very high | 95.4 | Very high | 120 Ų | 120 | 37.1 Ų | 37.1 | 53% | 0.526 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 143.9 | 173.1 | -168.2 | -127.3 | 0 | 0 | 0 | 109.9 | L119 F164 | F93-L119 HydrophobicContact CB-CB 4.41Å; F93-L119 HydrophobicContact CB-CD2 4.39Å; F93-L119 PolarHBondContact N-O 2.91Å; F93-L119 PolarHBondContact O-N 3.47Å; F93-F164 AromaticContact CD1-CE2 3.42Å; F93-F164 HydrophobicContact CD1-CE2 3.42Å; F93-F164 VanDerWaalsContact CD1-CE2 3.42Å; F93-F164 AromaticContact CD1-CZ 3.58Å; F93-F164 HydrophobicContact CD1-CZ 3.58Å; F93-F164 AromaticContact CE1-CE2 3.56Å; F93-F164 HydrophobicContact CE1-CE2 3.56Å; F93-F164 HydrophobicContact CE1-CZ 4.21Å |
| 94 | T | 95.7 | Very high | 94.6 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129.6 | 178.7 | -48.2 | 0 | 0 | 0 | 0 | 108.8 | F72 T79 I117 | F72-T94 HydrophobicContact CB-CG2 4.16Å; F72-T94 WeakPolarHBondContact CD1-OG1 3.48Å; T79-T94 HydrophobicContact CG2-CG2 4.14Å; T94-I117 WeakPolarHBondContact CA-O 3.46Å |
| 95 | H | 95.3 | Very high | 93.7 | Very high | 54 Ų | 54 | 43 Ų | 43 | 25% | 0.25 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 110.5 | 170.8 | 175.3 | 72.6 | 0 | 0 | 0 | 110.2 | G116 I117 E160 F164 | H95-G116 CarbonylContact O-C 3.48Å; H95-G116 WeakPolarHBondContact O-CA 3.23Å; H95-I117 HydrophobicContact CB-CG2 3.81Å; H95-I117 PolarHBondContact N-O 3.33Å; H95-I117 PolarHBondContact O-N 3.31Å; H95-E160 IonicContact CD2-OE2 3.28Å; H95-E160 IonicContact CE1-OE2 2.74Å; H95-E160 IonicContact NE2-OE2 2.95Å; H95-E160 PolarHBondContact NE2-OE2 3.37Å; H95-F164 HydrophobicContact CB-CD2 3.56Å; H95-F164 HydrophobicContact CB-CE2 3.45Å; H95-F164 VanDerWaalsContact CB-CE2 3.45Å; H95-F164 HydrophobicContact CB-CG 4.44Å; H95-F164 HydrophobicContact CB-CZ 4.26Å |
| 96 | P | 94.7 | Very high | 92.7 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 139.2 | 173.6 | 32.5 | -33.7 | 0 | 0 | 0 | 111.3 | C74 | C74-P96 WeakPolarHBondContact SG-CB 3.26Å |
| 97 | F | 95.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | trans | -74.3 | 153.1 | 177.9 | -53.6 | -47.1 | 0 | 0 | 0 | 112.4 | N100 K115 G116 I117 T135 L137 Q157 E160 V161 | F97-N100 PolarHBondContact O-ND2 3.05Å; F97-K115 VanDerWaalsContact CD2-C 3.41Å; F97-K115 HydrophobicContact CD2-CB 3.97Å; F97-K115 WeakPolarHBondContact CD2-O 3.09Å; F97-K115 HydrophobicContact CE2-CB 4.37Å; F97-K115 PolarHBondContact N-O 2.79Å; F97-G116 VanDerWaalsContact CD2-CA 3.49Å; F97-G116 VanDerWaalsContact CE2-C 3.45Å; F97-G116 WeakPolarHBondContact CE2-O 3.46Å; F97-G116 WeakPolarHBondContact CZ-O 3.49Å; F97-I117 HydrophobicContact CE1-CB 4.31Å; F97-I117 HydrophobicContact CE1-CG2 4.2Å; F97-I117 HydrophobicContact CZ-CB 4.25Å; F97-T135 WeakPolarHBondContact CZ-OG1 3.2Å; F97-L137 HydrophobicContact CD2-CD2 4.45Å; F97-L137 HydrophobicContact CE2-CD2 3.49Å; F97-L137 VanDerWaalsContact CE2-CD2 3.49Å; F97-L137 HydrophobicContact CZ-CD2 3.69Å; F97-Q157 HydrophobicContact CB-CB 4.38Å; F97-Q157 HydrophobicContact CB-CG 3.69Å; F97-Q157 HydrophobicContact CD1-CB 4.24Å; F97-Q157 HydrophobicContact CD1-CG 4.46Å; F97-Q157 HydrophobicContact CD2-CB 3.68Å; F97-Q157 HydrophobicContact CD2-CG 3.48Å; F97-Q157 VanDerWaalsContact CD2-CG 3.48Å; F97-Q157 HydrophobicContact CE1-CB 4.48Å; F97-Q157 HydrophobicContact CE2-CB 3.95Å; F97-Q157 HydrophobicContact CE2-CG 4.21Å; F97-Q157 HydrophobicContact CG-CB 3.85Å; F97-Q157 HydrophobicContact CG-CG 3.64Å; F97-Q157 HydrophobicContact CZ-CB 4.34Å; F97-E160 WeakPolarHBondContact CA-OE2 3.47Å; F97-E160 HydrophobicContact CD1-CB 3.87Å; F97-E160 HydrophobicContact CE1-CB 4.19Å; F97-V161 HydrophobicContact CE1-CG2 3.62Å; F97-V161 HydrophobicContact CZ-CG2 3.45Å; F97-V161 VanDerWaalsContact CZ-CG2 3.45Å | ||
| 98 | T | 93.6 | Very high | 90.4 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 29% | 0.288 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -76.5 | -43.8 | -177.4 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | E160 I402 G406 | T98-E160 PolarHBondContact N-OE1 3.4Å; T98-E160 PolarHBondContact N-OE2 2.91Å; T98-I402 HydrophobicContact CG2-CG2 4.19Å; T98-G406 VanDerWaalsContact CG2-CA 3.44Å |
| 99 | A | 93.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | trans | -100.8 | 85.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H153 Q157 | A99-H153 HydrophobicContact CB-CB 4.4Å; A99-H153 PolarHBondContact O-ND1 3.48Å; A99-Q157 PolarHBondContact O-NE2 3.28Å | ||
| 100 | N | 91.2 | Very high | 88.6 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 6% | 0.064 | 25% | 0.248 | C | C | . | . | trans | -105.7 | 32.7 | -172.6 | -83.5 | -22.7 | 0 | 0 | 0 | 115.8 | F97 D110 Y111 K115 Q157 | F97-N100 PolarHBondContact O-ND2 3.05Å; N100-D110 CarbonylContact O-C 3.46Å; N100-Y111 WeakPolarHBondContact O-CA 3.41Å; N100-Y111 PolarHBondContact O-N 2.65Å; N100-Y111 VanDerWaalsContact O-N 3.16Å; N100-K115 PolarHBondContact ND2-N 3.5Å; N100-K115 PolarHBondContact ND2-O 3.46Å; N100-K115 WeakPolarHBondContact OD1-CB 3.33Å; N100-Q157 PolarHBondContact OD1-NE2 3.24Å | ||
| 101 | G | 91.3 | Very high | 88 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | trans | 87.4 | -151.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H153 | G101-H153 PolarHBondContact N-CE1 2.87Å; G101-H153 PolarHBondContact N-ND1 3.3Å; G101-H153 VanDerWaalsContact N-ND1 3.13Å | ||
| 102 | Y | 89.4 | Confident | 87.3 | Confident | 20 Ų | 20 | 46.1 Ų | 46.1 | 8% | 0.078 | 23% | 0.232 | C | C | . | . | trans | -124.2 | 132.6 | -170.1 | -54.7 | -65.6 | 0 | 0 | 0 | 113.2 | H104 L105 R149 Y150 H153 R400 E403 | Y102-H104 VanDerWaalsContact C-N 3.29Å; Y102-H104 VanDerWaalsContact CB-CE1 3.47Å; Y102-H104 WeakPolarHBondContact CB-CE1 3.31Å; Y102-H104 AromaticContact CG-CE1 3.91Å; Y102-H104 PolarHBondContact O-N 3.21Å; Y102-L105 HydrophobicContact CD2-CD1 3.9Å; Y102-L105 HydrophobicContact CG-CD1 4.5Å; Y102-L105 PolarHBondContact O-N 2.88Å; Y102-R149 HydrophobicContact CE2-CG 4.35Å; Y102-Y150 AromaticContact CD2-CE1 3.5Å; Y102-Y150 HydrophobicContact CD2-CE1 3.5Å; Y102-Y150 AromaticContact CD2-CZ 3.79Å; Y102-Y150 WeakPolarHBondContact CD2-OH 3.14Å; Y102-Y150 HydrophobicContact CE2-CD1 4.19Å; Y102-Y150 AromaticContact CE2-CE1 3.4Å; Y102-Y150 HydrophobicContact CE2-CE1 3.4Å; Y102-Y150 AromaticContact CE2-CZ 3.9Å; Y102-H153 AromaticContact CZ-NE2 3.78Å; Y102-R400 VanDerWaalsContact CZ-NH1 3.33Å; Y102-R400 PolarHBondContact OH-NH1 2.89Å; Y102-E403 WeakPolarHBondContact CE1-OE2 3.36Å; Y102-E403 PolarHBondContact OH-OE1 3.18Å | ||
| 103 | P | 84.6 | Confident | 86.5 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -30.8 | -176.4 | 28.2 | -39 | 0 | 0 | 0 | 113.5 | L105 Y111 Y112 W394 | P103-L105 PolarHBondContact O-N 3.23Å; P103-Y111 HydrophobicContact CB-CD1 3.66Å; P103-Y111 HydrophobicContact CB-CD2 4.37Å; P103-Y111 HydrophobicContact CB-CE1 3.64Å; P103-Y111 HydrophobicContact CB-CE2 4.34Å; P103-Y111 HydrophobicContact CB-CG 4.05Å; P103-Y111 HydrophobicContact CG-CE1 4.5Å; P103-Y111 HydrophobicContact CG-CE2 4.46Å; P103-Y112 WeakPolarHBondContact O-CE2 3.34Å; P103-Y112 PolarHBondContact O-OH 3.2Å; P103-W394 HydrophobicContact CB-CZ3 4.42Å; P103-W394 HydrophobicContact CG-CE3 4.41Å; P103-W394 HydrophobicContact CG-CZ3 3.85Å |
| 104 | H | 82 | Confident | 85.8 | Confident | 95 Ų | 95 | 37.4 Ų | 37.4 | 44% | 0.44 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.4 | -177.6 | 60.8 | -88.8 | 0 | 0 | 0 | 112.7 | Y102 I106 | Y102-H104 VanDerWaalsContact C-N 3.29Å; Y102-H104 VanDerWaalsContact CB-CE1 3.47Å; Y102-H104 WeakPolarHBondContact CB-CE1 3.31Å; Y102-H104 AromaticContact CG-CE1 3.91Å; Y102-H104 PolarHBondContact O-N 3.21Å; H104-I106 VanDerWaalsContact C-N 3.29Å; H104-I106 PolarHBondContact O-N 3.48Å |
| 105 | L | 81.2 | Confident | 85.6 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | trans | -95.4 | 61.6 | 175.3 | -61.8 | 173.8 | 0 | 0 | 0 | 109.9 | Y102 P103 H107 Q108 Y150 | Y102-L105 HydrophobicContact CD2-CD1 3.9Å; Y102-L105 HydrophobicContact CG-CD1 4.5Å; Y102-L105 PolarHBondContact O-N 2.88Å; P103-L105 PolarHBondContact O-N 3.23Å; L105-H107 PolarHBondContact O-N 3.46Å; L105-H107 VanDerWaalsContact O-N 3.13Å; L105-Q108 HydrophobicContact CB-CG 4.29Å; L105-Q108 WeakPolarHBondContact O-CB 3.13Å; L105-Q108 PolarHBondContact O-N 2.82Å; L105-Y150 WeakPolarHBondContact CD1-OH 3.17Å | ||
| 106 | I | 76.2 | Confident | 85.6 | Confident | 97 Ų | 97 | 33.1 Ų | 33.1 | 50% | 0.497 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -54.7 | -35.4 | -174.6 | -59.4 | 166.8 | 0 | 0 | 0 | 112 | F18 H104 Q108 A109 Y112 | F18-I106 HydrophobicContact CZ-CG2 4.35Å; H104-I106 VanDerWaalsContact C-N 3.29Å; H104-I106 PolarHBondContact O-N 3.48Å; I106-Q108 PolarHBondContact O-N 3.3Å; I106-A109 PolarHBondContact O-N 2.71Å; I106-Y112 HydrophobicContact CB-CE2 4.47Å; I106-Y112 HydrophobicContact CG1-CE2 4.06Å |
| 107 | H | 71.3 | Confident | 85.7 | Confident | 127 Ų | 127 | 30.5 Ų | 30.5 | 59% | 0.588 | 15% | 0.149 | S | C | * | . | G | 310 helix | trans | -65.4 | -16.5 | -179.3 | 62.1 | -88.3 | 0 | 0 | 0 | 114.1 | L105 | L105-H107 PolarHBondContact O-N 3.46Å; L105-H107 VanDerWaalsContact O-N 3.13Å |
| 108 | Q | 79.3 | Confident | 85.8 | Confident | 29 Ų | 29 | 30.1 Ų | 30.1 | 14% | 0.136 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -90.3 | -21.3 | 175.8 | -61.1 | 178.3 | -8.6 | 0 | 0 | 111.9 | L105 I106 D110 Y141 Y150 | L105-Q108 HydrophobicContact CB-CG 4.29Å; L105-Q108 WeakPolarHBondContact O-CB 3.13Å; L105-Q108 PolarHBondContact O-N 2.82Å; I106-Q108 PolarHBondContact O-N 3.3Å; Q108-D110 WeakPolarHBondContact CB-OD2 3.46Å; Q108-D110 PolarHBondContact O-N 2.77Å; Q108-Y141 HydrophobicContact CB-CE2 4.26Å; Q108-Y141 HydrophobicContact CG-CE1 4.1Å; Q108-Y141 HydrophobicContact CG-CE2 4.06Å; Q108-Y150 VanDerWaalsContact OE1-CZ 3.26Å; Q108-Y150 PolarHBondContact OE1-OH 2.97Å |
| 109 | A | 77 | Confident | 86 | Confident | 9 Ų | 9 | 28.4 Ų | 28.4 | 7% | 0.074 | 14% | 0.137 | C | C | . | . | trans | 58.7 | -16.5 | 179 | 0 | 0 | 0 | 0 | 0 | 117 | F17 I106 Y111 Y112 C113 | F17-A109 HydrophobicContact CE1-CB 4.2Å; F17-A109 HydrophobicContact CZ-CB 4.18Å; I106-A109 PolarHBondContact O-N 2.71Å; A109-Y111 PolarHBondContact O-N 3.18Å; A109-Y112 PolarHBondContact O-N 3.46Å; A109-C113 PolarHBondContact O-N 3Å; A109-C113 VanDerWaalsContact O-N 3.1Å; A109-C113 PolarHBondContact O-SG 3.24Å | ||
| 110 | D | 81.4 | Confident | 86.3 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.032 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -50.6 | -41.7 | -172.6 | -52.8 | -73.3 | 0 | 0 | 0 | 113.5 | N100 Q108 Y112 G114 K115 I138 Y141 | N100-D110 CarbonylContact O-C 3.46Å; Q108-D110 WeakPolarHBondContact CB-OD2 3.46Å; Q108-D110 PolarHBondContact O-N 2.77Å; D110-Y112 VanDerWaalsContact C-N 3.35Å; D110-Y112 PolarHBondContact O-N 2.97Å; D110-G114 PolarHBondContact O-N 2.92Å; D110-K115 HydrophobicContact CB-CD 4.39Å; D110-K115 WeakPolarHBondContact OD1-CE 3.28Å; D110-K115 IonicContact OD1-NZ 3.48Å; D110-K115 PolarHBondContact OD1-NZ 3.1Å; D110-I138 HydrophobicContact CB-CD1 3.91Å; D110-I138 HydrophobicContact CB-CG1 4.06Å; D110-Y141 PolarHBondContact OD2-OH 2.91Å |
| 111 | Y | 83.6 | Confident | 86.6 | Confident | 62 Ų | 62 | 30.5 Ų | 30.5 | 24% | 0.243 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 179.7 | -176.5 | -89.5 | 0 | 0 | 0 | 112.2 | N75 N100 P103 A109 W394 | N75-Y111 PolarHBondContact ND2-O 3.15Å; N100-Y111 WeakPolarHBondContact O-CA 3.41Å; N100-Y111 PolarHBondContact O-N 2.65Å; N100-Y111 VanDerWaalsContact O-N 3.16Å; P103-Y111 HydrophobicContact CB-CD1 3.66Å; P103-Y111 HydrophobicContact CB-CD2 4.37Å; P103-Y111 HydrophobicContact CB-CE1 3.64Å; P103-Y111 HydrophobicContact CB-CE2 4.34Å; P103-Y111 HydrophobicContact CB-CG 4.05Å; P103-Y111 HydrophobicContact CG-CE1 4.5Å; P103-Y111 HydrophobicContact CG-CE2 4.46Å; A109-Y111 PolarHBondContact O-N 3.18Å; Y111-W394 WeakPolarHBondContact OH-CH2 3.35Å |
| 112 | Y | 83.6 | Confident | 87 | Confident | 67 Ų | 67 | 30 Ų | 30 | 26% | 0.263 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -81.9 | -27.6 | -174.3 | -63.8 | -75.3 | 0 | 0 | 0 | 112.9 | N75 L76 I77 P103 I106 A109 D110 | N75-Y112 WeakPolarHBondContact CB-O 3.46Å; L76-Y112 HydrophobicContact CD2-CD1 3.95Å; L76-Y112 PolarHBondContact N-O 3.29Å; L76-Y112 VanDerWaalsContact N-O 3.08Å; I77-Y112 PolarHBondContact N-O 3.02Å; P103-Y112 WeakPolarHBondContact O-CE2 3.34Å; P103-Y112 PolarHBondContact O-OH 3.2Å; I106-Y112 HydrophobicContact CB-CE2 4.47Å; I106-Y112 HydrophobicContact CG1-CE2 4.06Å; A109-Y112 PolarHBondContact O-N 3.46Å; D110-Y112 VanDerWaalsContact C-N 3.35Å; D110-Y112 PolarHBondContact O-N 2.97Å |
| 113 | C | 80 | Confident | 87.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.9 | -33 | 176.9 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | W50 G78 T79 A109 | W50-C113 HydrophobicContact CE3-CB 3.89Å; W50-C113 HydrophobicContact CH2-CB 4.09Å; W50-C113 HydrophobicContact CZ3-CB 3.31Å; W50-C113 WeakPolarHBondContact CZ3-SG 3.44Å; G78-C113 CarbonylContact C-O 3.54Å; G78-C113 CarbonylContact O-C 3.55Å; G78-C113 VanDerWaalsContact O-CA 3.3Å; G78-C113 WeakPolarHBondContact O-CA 3.29Å; G78-C113 VanDerWaalsContact O-CB 3.32Å; G78-C113 WeakPolarHBondContact O-CB 3.47Å; T79-C113 PolarHBondContact N-O 3.47Å; A109-C113 PolarHBondContact O-N 3Å; A109-C113 VanDerWaalsContact O-N 3.1Å; A109-C113 PolarHBondContact O-SG 3.24Å |
| 114 | G | 81.7 | Confident | 88 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 69.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N75 T79 D110 | N75-G114 WeakPolarHBondContact ND2-CA 2.89Å; T79-G114 WeakPolarHBondContact CG2-O 3.2Å; D110-G114 PolarHBondContact O-N 2.92Å |
| 115 | K | 91.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | trans | -52.6 | 146.9 | 172 | -71.6 | -179.1 | -179.8 | -98.1 | 0 | 111.1 | F97 N100 D110 H136 L137 I138 | F97-K115 VanDerWaalsContact CD2-C 3.41Å; F97-K115 HydrophobicContact CD2-CB 3.97Å; F97-K115 WeakPolarHBondContact CD2-O 3.09Å; F97-K115 HydrophobicContact CE2-CB 4.37Å; F97-K115 PolarHBondContact N-O 2.79Å; N100-K115 PolarHBondContact ND2-N 3.5Å; N100-K115 PolarHBondContact ND2-O 3.46Å; N100-K115 WeakPolarHBondContact OD1-CB 3.33Å; D110-K115 HydrophobicContact CB-CD 4.39Å; D110-K115 WeakPolarHBondContact OD1-CE 3.28Å; D110-K115 IonicContact OD1-NZ 3.48Å; D110-K115 PolarHBondContact OD1-NZ 3.1Å; K115-H136 WeakPolarHBondContact CB-O 3.25Å; K115-H136 WeakPolarHBondContact CD-O 3.38Å; K115-H136 WeakPolarHBondContact CG-O 3.23Å; K115-H136 PolarHBondContact NZ-CD2 3.44Å; K115-H136 PolarHBondContact NZ-CE1 2.66Å; K115-H136 PolarHBondContact NZ-ND1 3.49Å; K115-H136 PolarHBondContact NZ-NE2 3.3Å; K115-L137 PolarHBondContact NZ-O 3.07Å; K115-I138 HydrophobicContact CD-CB 3.93Å; K115-I138 HydrophobicContact CD-CG1 4.49Å | ||
| 116 | G | 95.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | -168.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M81 H95 F97 T135 | M81-G116 WeakPolarHBondContact CE-O 3.41Å; H95-G116 CarbonylContact O-C 3.48Å; H95-G116 WeakPolarHBondContact O-CA 3.23Å; F97-G116 VanDerWaalsContact CD2-CA 3.49Å; F97-G116 VanDerWaalsContact CE2-C 3.45Å; F97-G116 WeakPolarHBondContact CE2-O 3.46Å; F97-G116 WeakPolarHBondContact CZ-O 3.49Å; G116-T135 PolarHBondContact O-OG1 2.86Å |
| 117 | I | 97.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.8 | 171.7 | -174 | 173.3 | 0 | 0 | 0 | 109.9 | T94 H95 F97 Y133 V134 V161 F164 V165 | T94-I117 WeakPolarHBondContact CA-O 3.46Å; H95-I117 HydrophobicContact CB-CG2 3.81Å; H95-I117 PolarHBondContact N-O 3.33Å; H95-I117 PolarHBondContact O-N 3.31Å; F97-I117 HydrophobicContact CE1-CB 4.31Å; F97-I117 HydrophobicContact CE1-CG2 4.2Å; F97-I117 HydrophobicContact CZ-CB 4.25Å; I117-Y133 HydrophobicContact CD1-CD1 3.88Å; I117-Y133 HydrophobicContact CD1-CG 4.43Å; I117-Y133 HydrophobicContact CG1-CD1 4.37Å; I117-V134 CarbonylContact C-O 2.99Å; I117-V134 WeakPolarHBondContact CA-O 3.5Å; I117-V161 HydrophobicContact CB-CG2 4.39Å; I117-V161 HydrophobicContact CD1-CB 4.3Å; I117-V161 HydrophobicContact CD1-CG1 3.79Å; I117-V161 HydrophobicContact CD1-CG2 4.26Å; I117-F164 HydrophobicContact CD1-CD1 3.81Å; I117-F164 HydrophobicContact CD1-CE1 4.23Å; I117-F164 HydrophobicContact CG1-CD1 4.35Å; I117-F164 HydrophobicContact CG1-CE1 4.35Å; I117-F164 HydrophobicContact CG2-CB 4.33Å; I117-F164 HydrophobicContact CG2-CD1 3.74Å; I117-F164 HydrophobicContact CG2-CD2 4.25Å; I117-F164 HydrophobicContact CG2-CE1 3.97Å; I117-F164 HydrophobicContact CG2-CE2 4.46Å; I117-F164 HydrophobicContact CG2-CG 3.86Å; I117-F164 HydrophobicContact CG2-CZ 4.32Å; I117-V165 HydrophobicContact CD1-CG2 4.11Å |
| 118 | G | 97.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 138.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F72 Y133 V134 | F72-G118 VanDerWaalsContact CE1-CA 3.48Å; G118-Y133 CarbonylContact O-C 3.54Å; G118-Y133 WeakPolarHBondContact O-CA 3.34Å; G118-V134 PolarHBondContact N-O 2.94Å; G118-V134 PolarHBondContact O-N 3.23Å |
| 119 | L | 98.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.7 | 171.2 | 162.3 | 63.5 | 0 | 0 | 0 | 108.7 | V92 F93 N131 F132 Y133 F164 T168 | V92-L119 CarbonylContact C-O 3.57Å; V92-L119 WeakPolarHBondContact CA-O 3.3Å; F93-L119 HydrophobicContact CB-CB 4.41Å; F93-L119 HydrophobicContact CB-CD2 4.39Å; F93-L119 PolarHBondContact N-O 2.91Å; F93-L119 PolarHBondContact O-N 3.47Å; L119-N131 HydrophobicContact CD1-CB 3.72Å; L119-F132 CarbonylContact C-O 3.57Å; L119-F132 WeakPolarHBondContact CA-O 3.37Å; L119-Y133 HydrophobicContact CB-CD1 4.06Å; L119-Y133 HydrophobicContact CB-CE1 4.09Å; L119-Y133 HydrophobicContact CD1-CD1 4.06Å; L119-Y133 HydrophobicContact CD1-CE1 3.66Å; L119-Y133 HydrophobicContact CD1-CE2 4.2Å; L119-Y133 HydrophobicContact CD2-CE1 4.25Å; L119-Y133 HydrophobicContact CG-CE1 4.21Å; L119-F164 HydrophobicContact CB-CE1 3.9Å; L119-F164 HydrophobicContact CB-CZ 4.02Å; L119-F164 HydrophobicContact CD2-CE1 4.41Å; L119-F164 HydrophobicContact CD2-CZ 4.4Å; L119-T168 HydrophobicContact CD2-CG2 4.06Å |
| 120 | A | 98.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | I83 I89 C91 V92 I122 F132 | I83-A120 HydrophobicContact CD1-CB 3.68Å; I83-A120 HydrophobicContact CG2-CB 4.31Å; I89-A120 HydrophobicContact CG2-CB 4.2Å; C91-A120 WeakPolarHBondContact O-CA 3.3Å; V92-A120 HydrophobicContact CG1-CB 4.16Å; A120-I122 HydrophobicContact CB-CD1 4.32Å; A120-I122 HydrophobicContact CB-CG1 4.34Å; A120-F132 PolarHBondContact N-O 3.08Å; A120-F132 PolarHBondContact O-N 3.25Å |
| 121 | R | 98.2 | Very high | 94.2 | Very high | 59 Ų | 59 | 31.4 Ų | 31.4 | 22% | 0.223 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 121 | 167.1 | -178.3 | 170.7 | -68 | 163.6 | 3.5 | 108.5 | I89 E90 C91 N131 | I89-R121 CarbonylContact C-O 3.52Å; E90-R121 HydrophobicContact CB-CB 4.46Å; E90-R121 HydrophobicContact CB-CG 4.37Å; E90-R121 PolarHBondContact N-O 3.15Å; E90-R121 WeakPolarHBondContact OE2-CD 3.47Å; E90-R121 WeakPolarHBondContact OE2-CG 3.48Å; C91-R121 PolarHBondContact O-N 2.87Å; R121-N131 PolarHBondContact NE-OD1 3.39Å |
| 122 | I | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.6 | -177 | -65.9 | 167.2 | 0 | 0 | 0 | 108.8 | V43 I83 W87 T88 I89 A120 I130 F132 | V43-I122 HydrophobicContact CG1-CD1 4.05Å; V43-I122 HydrophobicContact CG2-CD1 4.27Å; I83-I122 HydrophobicContact CD1-CD1 3.64Å; W87-I122 HydrophobicContact CB-CG2 3.69Å; W87-I122 HydrophobicContact CE3-CG2 3.82Å; T88-I122 WeakPolarHBondContact O-CA 3.38Å; I89-I122 HydrophobicContact CB-CG1 4.45Å; I89-I122 HydrophobicContact CG1-CD1 4.21Å; I89-I122 HydrophobicContact CG1-CG1 3.85Å; A120-I122 HydrophobicContact CB-CD1 4.32Å; A120-I122 HydrophobicContact CB-CG1 4.34Å; I122-I130 PolarHBondContact N-O 3.14Å; I122-I130 PolarHBondContact O-N 2.94Å; I122-F132 HydrophobicContact CB-CD2 3.91Å; I122-F132 HydrophobicContact CB-CE2 3.94Å; I122-F132 HydrophobicContact CD1-CB 4.48Å; I122-F132 HydrophobicContact CD1-CD2 3.52Å; I122-F132 HydrophobicContact CD1-CE2 3.98Å; I122-F132 HydrophobicContact CD1-CG 4.17Å; I122-F132 HydrophobicContact CG1-CD2 4.04Å; I122-F132 HydrophobicContact CG1-CE2 4.45Å; I122-F132 HydrophobicContact CG2-CE2 4.45Å |
| 123 | T | 98.1 | Very high | 95.6 | Very high | 35 Ų | 35 | 25.3 Ų | 25.3 | 22% | 0.215 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 115.9 | 172.2 | -71.3 | 0 | 0 | 0 | 0 | 109.3 | W87 T88 E90 F128 | W87-T123 VanDerWaalsContact CB-O 3.3Å; W87-T123 WeakPolarHBondContact CB-O 3.49Å; T88-T123 PolarHBondContact O-N 3.44Å; T88-T123 VanDerWaalsContact O-N 3.12Å; E90-T123 PolarHBondContact OE1-OG1 2.96Å; T123-F128 CarbonylContact C-O 3.6Å; T123-F128 WeakPolarHBondContact CA-O 3.47Å |
| 124 | S | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 4% | 0.035 | 12% | 0.121 | C | C | . | . | trans | -67.2 | 173.4 | -177.4 | 77.2 | 0 | 0 | 0 | 0 | 112.8 | E4 E126 G127 F128 | E4-S124 WeakPolarHBondContact OE2-CB 3.3Å; E4-S124 PolarHBondContact OE2-OG 3.16Å; S124-E126 VanDerWaalsContact C-N 3.27Å; S124-E126 PolarHBondContact O-N 3.06Å; S124-G127 PolarHBondContact O-N 3.3Å; S124-F128 PolarHBondContact N-O 3.19Å; S124-F128 WeakPolarHBondContact OG-CB 3.23Å; S124-F128 WeakPolarHBondContact OG-CD2 3.2Å; S124-F128 PolarHBondContact OG-N 2.86Å | ||
| 125 | K | 96.5 | Very high | 97.3 | Very high | 163 Ų | 163 | 25.4 Ų | 25.4 | 71% | 0.709 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -39.1 | -176.8 | -176.2 | -174 | 169.1 | -173.3 | 0 | 112.1 | E4 G127 | E4-K125 WeakPolarHBondContact OE1-CB 3.41Å; E4-K125 PolarHBondContact OE1-N 3.01Å; E4-K125 PolarHBondContact OE2-N 3.42Å; K125-G127 VanDerWaalsContact C-N 3.28Å |
| 126 | E | 96.5 | Very high | 97.6 | Very high | 92 Ų | 92 | 25.4 Ų | 25.4 | 43% | 0.43 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 10.9 | 179.1 | -56.5 | -62 | 143.4 | 0 | 0 | 112.9 | V2 E4 S124 F128 | V2-E126 HydrophobicContact CG1-CB 3.64Å; V2-E126 HydrophobicContact CG1-CG 4.26Å; E4-E126 HydrophobicContact CB-CB 4.21Å; E4-E126 HydrophobicContact CB-CG 3.95Å; E4-E126 HydrophobicContact CG-CG 4.1Å; E4-E126 VanDerWaalsContact OE2-CB 3.28Å; E4-E126 WeakPolarHBondContact OE2-CB 3.44Å; E4-E126 PolarHBondContact OE2-N 3.34Å; S124-E126 VanDerWaalsContact C-N 3.27Å; S124-E126 PolarHBondContact O-N 3.06Å; E126-F128 HydrophobicContact CB-CD2 4.17Å; E126-F128 HydrophobicContact CB-CE2 3.96Å |
| 127 | G | 95.9 | Very high | 97.7 | Very high | 37 Ų | 37 | 25.4 Ų | 25.4 | 38% | 0.381 | 12% | 0.122 | S | C | . | . | trans | 84.4 | 25.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | S124 K125 | S124-G127 PolarHBondContact O-N 3.3Å; K125-G127 VanDerWaalsContact C-N 3.28Å | ||
| 128 | F | 96.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -84.6 | 131.4 | 171.1 | -61.9 | -84.9 | 0 | 0 | 0 | 110.6 | V2 E4 T123 S124 E126 I130 D173 A268 I303 R305 | V2-F128 HydrophobicContact CB-CZ 4.46Å; V2-F128 HydrophobicContact CG1-CE2 3.91Å; V2-F128 HydrophobicContact CG1-CZ 4.01Å; E4-F128 HydrophobicContact CB-CD2 4.2Å; E4-F128 HydrophobicContact CB-CE2 3.98Å; T123-F128 CarbonylContact C-O 3.6Å; T123-F128 WeakPolarHBondContact CA-O 3.47Å; S124-F128 PolarHBondContact N-O 3.19Å; S124-F128 WeakPolarHBondContact OG-CB 3.23Å; S124-F128 WeakPolarHBondContact OG-CD2 3.2Å; S124-F128 PolarHBondContact OG-N 2.86Å; E126-F128 HydrophobicContact CB-CD2 4.17Å; E126-F128 HydrophobicContact CB-CE2 3.96Å; F128-I130 HydrophobicContact CB-CG1 4.32Å; F128-D173 WeakPolarHBondContact CA-OD2 3.18Å; F128-D173 HydrophobicContact CD1-CB 4.43Å; F128-A268 HydrophobicContact CD1-CB 4.14Å; F128-A268 HydrophobicContact CE1-CB 4.14Å; F128-I303 HydrophobicContact CB-CD1 3.96Å; F128-I303 HydrophobicContact CB-CG2 4.44Å; F128-I303 HydrophobicContact CD1-CD1 3.77Å; F128-I303 HydrophobicContact CD1-CG1 3.85Å; F128-I303 HydrophobicContact CD1-CG2 4.35Å; F128-I303 HydrophobicContact CD2-CG2 3.65Å; F128-I303 HydrophobicContact CE1-CD1 4.44Å; F128-I303 HydrophobicContact CE1-CG1 4.02Å; F128-I303 HydrophobicContact CE2-CG2 3.86Å; F128-I303 HydrophobicContact CG-CD1 3.93Å; F128-I303 HydrophobicContact CG-CG1 4.18Å; F128-I303 HydrophobicContact CG-CG2 3.9Å; F128-I303 HydrophobicContact CZ-CG1 4.5Å; F128-I303 HydrophobicContact CZ-CG2 4.3Å; F128-R305 HydrophobicContact CE1-CB 3.89Å; F128-R305 HydrophobicContact CE1-CG 4.45Å; F128-R305 HydrophobicContact CZ-CB 4.01Å | ||
| 129 | R | 96.2 | Very high | 97.4 | Very high | 128 Ų | 128 | 26.4 Ų | 26.4 | 48% | 0.483 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 110.2 | 174.3 | -72.6 | -171.6 | 178.4 | 125.4 | 2.8 | 110.3 | E90 S172 D173 | E90-R129 IonicContact OE1-NE 2.8Å; E90-R129 PolarHBondContact OE1-NE 3.46Å; E90-R129 IonicContact OE2-NE 3.27Å; R129-S172 CarbonylContact O-C 3.56Å; R129-D173 PolarHBondContact N-OD2 3.25Å; R129-D173 WeakPolarHBondContact O-CB 3.39Å; R129-D173 PolarHBondContact O-N 2.9Å |
| 130 | I | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.1 | -178.1 | -51.7 | 174.4 | 0 | 0 | 0 | 108.4 | F6 W87 I122 F128 F132 A174 I176 I303 | F6-I130 HydrophobicContact CE1-CD1 4.01Å; F6-I130 HydrophobicContact CE2-CD1 4.31Å; F6-I130 HydrophobicContact CZ-CD1 3.74Å; W87-I130 HydrophobicContact CZ3-CD1 4.47Å; I122-I130 PolarHBondContact N-O 3.14Å; I122-I130 PolarHBondContact O-N 2.94Å; F128-I130 HydrophobicContact CB-CG1 4.32Å; I130-F132 HydrophobicContact CB-CD2 4.19Å; I130-F132 HydrophobicContact CB-CE2 3.59Å; I130-F132 HydrophobicContact CB-CZ 4.17Å; I130-F132 HydrophobicContact CD1-CE2 4.48Å; I130-F132 HydrophobicContact CD1-CZ 4.42Å; I130-F132 HydrophobicContact CG2-CD2 3.91Å; I130-F132 HydrophobicContact CG2-CE1 4.31Å; I130-F132 HydrophobicContact CG2-CE2 3.45Å; I130-F132 VanDerWaalsContact CG2-CE2 3.45Å; I130-F132 HydrophobicContact CG2-CZ 3.67Å; I130-A174 WeakPolarHBondContact CA-O 3.48Å; I130-A174 HydrophobicContact CG2-CB 4.45Å; I130-I176 HydrophobicContact CG2-CD1 4.34Å; I130-I176 HydrophobicContact CG2-CG1 4.4Å; I130-I303 HydrophobicContact CD1-CD1 4.35Å; I130-I303 HydrophobicContact CG1-CD1 4.36Å |
| 131 | N | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 122.4 | 168.4 | -73.3 | 1.9 | 0 | 0 | 0 | 108.9 | L119 R121 Y133 T168 A174 I175 I176 | L119-N131 HydrophobicContact CD1-CB 3.72Å; R121-N131 PolarHBondContact NE-OD1 3.39Å; N131-Y133 HydrophobicContact CB-CD2 4.34Å; N131-Y133 HydrophobicContact CB-CE2 3.52Å; N131-Y133 PolarHBondContact ND2-OH 3.2Å; N131-T168 PolarHBondContact ND2-O 3.41Å; N131-A174 PolarHBondContact N-O 3.3Å; N131-I175 HydrophobicContact CB-CG2 4.03Å; N131-I175 WeakPolarHBondContact O-CA 3.31Å; N131-I176 PolarHBondContact O-N 3.22Å |
| 132 | F | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.7 | 171.6 | -70.2 | -90.3 | 0 | 0 | 0 | 109.4 | F6 V8 V43 L45 I83 L119 A120 I122 I130 I176 | F6-F132 HydrophobicContact CE2-CE1 4.47Å; F6-F132 HydrophobicContact CE2-CZ 4.15Å; V8-F132 HydrophobicContact CG1-CE1 4.34Å; V8-F132 HydrophobicContact CG2-CE1 3.75Å; V8-F132 HydrophobicContact CG2-CZ 4.48Å; V43-F132 HydrophobicContact CB-CD1 4.34Å; V43-F132 HydrophobicContact CB-CE1 3.92Å; V43-F132 HydrophobicContact CB-CZ 4.1Å; V43-F132 HydrophobicContact CG1-CD1 3.87Å; V43-F132 HydrophobicContact CG1-CD2 4.48Å; V43-F132 HydrophobicContact CG1-CE1 3.97Å; V43-F132 HydrophobicContact CG1-CG 4.13Å; V43-F132 HydrophobicContact CG1-CZ 4.33Å; V43-F132 HydrophobicContact CG2-CE1 3.95Å; V43-F132 HydrophobicContact CG2-CE2 3.93Å; V43-F132 HydrophobicContact CG2-CZ 3.58Å; L45-F132 HydrophobicContact CD1-CD1 4.31Å; L45-F132 HydrophobicContact CD2-CB 4.19Å; I83-F132 HydrophobicContact CD1-CB 4.02Å; L119-F132 CarbonylContact C-O 3.57Å; L119-F132 WeakPolarHBondContact CA-O 3.37Å; A120-F132 PolarHBondContact N-O 3.08Å; A120-F132 PolarHBondContact O-N 3.25Å; I122-F132 HydrophobicContact CB-CD2 3.91Å; I122-F132 HydrophobicContact CB-CE2 3.94Å; I122-F132 HydrophobicContact CD1-CB 4.48Å; I122-F132 HydrophobicContact CD1-CD2 3.52Å; I122-F132 HydrophobicContact CD1-CE2 3.98Å; I122-F132 HydrophobicContact CD1-CG 4.17Å; I122-F132 HydrophobicContact CG1-CD2 4.04Å; I122-F132 HydrophobicContact CG1-CE2 4.45Å; I122-F132 HydrophobicContact CG2-CE2 4.45Å; I130-F132 HydrophobicContact CB-CD2 4.19Å; I130-F132 HydrophobicContact CB-CE2 3.59Å; I130-F132 HydrophobicContact CB-CZ 4.17Å; I130-F132 HydrophobicContact CD1-CE2 4.48Å; I130-F132 HydrophobicContact CD1-CZ 4.42Å; I130-F132 HydrophobicContact CG2-CD2 3.91Å; I130-F132 HydrophobicContact CG2-CE1 4.31Å; I130-F132 HydrophobicContact CG2-CE2 3.45Å; I130-F132 VanDerWaalsContact CG2-CE2 3.45Å; I130-F132 HydrophobicContact CG2-CZ 3.67Å; F132-I176 CarbonylContact C-O 3.58Å; F132-I176 WeakPolarHBondContact CA-O 3.35Å; F132-I176 HydrophobicContact CD1-CB 3.95Å; F132-I176 HydrophobicContact CD1-CD1 4.43Å; F132-I176 HydrophobicContact CD1-CG2 4.17Å; F132-I176 HydrophobicContact CE1-CB 4.09Å; F132-I176 HydrophobicContact CE1-CD1 3.7Å; F132-I176 HydrophobicContact CE1-CG1 4.38Å; F132-I176 HydrophobicContact CE1-CG2 4.33Å; F132-I176 HydrophobicContact CZ-CD1 4.19Å |
| 133 | Y | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140 | 176.5 | -56.4 | -99.6 | 0 | 0 | 0 | 109.7 | I117 G118 L119 N131 F164 V165 T168 I175 I176 I177 T178 | I117-Y133 HydrophobicContact CD1-CD1 3.88Å; I117-Y133 HydrophobicContact CD1-CG 4.43Å; I117-Y133 HydrophobicContact CG1-CD1 4.37Å; G118-Y133 CarbonylContact O-C 3.54Å; G118-Y133 WeakPolarHBondContact O-CA 3.34Å; L119-Y133 HydrophobicContact CB-CD1 4.06Å; L119-Y133 HydrophobicContact CB-CE1 4.09Å; L119-Y133 HydrophobicContact CD1-CD1 4.06Å; L119-Y133 HydrophobicContact CD1-CE1 3.66Å; L119-Y133 HydrophobicContact CD1-CE2 4.2Å; L119-Y133 HydrophobicContact CD2-CE1 4.25Å; L119-Y133 HydrophobicContact CG-CE1 4.21Å; N131-Y133 HydrophobicContact CB-CD2 4.34Å; N131-Y133 HydrophobicContact CB-CE2 3.52Å; N131-Y133 PolarHBondContact ND2-OH 3.2Å; Y133-F164 HydrophobicContact CD1-CD1 4.15Å; Y133-F164 AromaticContact CD1-CE1 3.85Å; Y133-F164 HydrophobicContact CD1-CE1 3.85Å; Y133-F164 AromaticContact CE1-CD1 3.95Å; Y133-F164 HydrophobicContact CE1-CD1 3.95Å; Y133-F164 AromaticContact CE1-CE1 3.7Å; Y133-F164 HydrophobicContact CE1-CE1 3.7Å; Y133-V165 HydrophobicContact CD1-CG2 3.93Å; Y133-V165 HydrophobicContact CE1-CG2 3.93Å; Y133-V165 HydrophobicContact CG-CG2 4.24Å; Y133-T168 VanDerWaalsContact CE1-OG1 3.27Å; Y133-T168 WeakPolarHBondContact CE1-OG1 3.24Å; Y133-T168 PolarHBondContact OH-OG1 3.37Å; Y133-I175 HydrophobicContact CE2-CB 4.02Å; Y133-I175 HydrophobicContact CE2-CG2 4.13Å; Y133-I176 PolarHBondContact N-O 2.88Å; Y133-I177 HydrophobicContact CD2-CG1 3.72Å; Y133-I177 HydrophobicContact CE2-CG1 4.46Å; Y133-I177 HydrophobicContact CG-CG1 4.12Å; Y133-T178 PolarHBondContact O-N 2.94Å; Y133-T178 PolarHBondContact O-OG1 2.94Å |
| 134 | V | 98.7 | Very high | 96 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.3 | 170.4 | 58.8 | 0 | 0 | 0 | 0 | 109.2 | L45 Q47 F72 M81 I117 G118 T178 | L45-V134 HydrophobicContact CB-CB 4.17Å; L45-V134 HydrophobicContact CB-CG2 4.14Å; L45-V134 HydrophobicContact CD2-CB 3.72Å; L45-V134 HydrophobicContact CD2-CG1 4.31Å; Q47-V134 HydrophobicContact CG-CG2 4.14Å; F72-V134 HydrophobicContact CD2-CG1 3.84Å; F72-V134 HydrophobicContact CE2-CG1 3.46Å; F72-V134 VanDerWaalsContact CE2-CG1 3.46Å; F72-V134 HydrophobicContact CZ-CG1 4.13Å; M81-V134 HydrophobicContact CB-CG1 4.07Å; M81-V134 HydrophobicContact CB-CG2 4.31Å; M81-V134 HydrophobicContact CG-CG2 4.33Å; M81-V134 HydrophobicContact SD-CB 4.47Å; M81-V134 HydrophobicContact SD-CG1 4.14Å; M81-V134 HydrophobicContact SD-CG2 3.98Å; I117-V134 CarbonylContact C-O 2.99Å; I117-V134 WeakPolarHBondContact CA-O 3.5Å; G118-V134 PolarHBondContact N-O 2.94Å; G118-V134 PolarHBondContact O-N 3.23Å; V134-T178 CarbonylContact C-O 3.41Å; V134-T178 VanDerWaalsContact CA-O 3.32Å; V134-T178 WeakPolarHBondContact CA-O 3.28Å |
| 135 | T | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 157.2 | 175.5 | -168.8 | 0 | 0 | 0 | 0 | 111 | M81 F97 G116 L137 T178 G179 D180 F181 | M81-T135 VanDerWaalsContact SD-C 3.57Å; F97-T135 WeakPolarHBondContact CZ-OG1 3.2Å; G116-T135 PolarHBondContact O-OG1 2.86Å; T135-L137 WeakPolarHBondContact OG1-CD2 3.29Å; T135-T178 PolarHBondContact N-O 2.6Å; T135-G179 VanDerWaalsContact O-CA 3.29Å; T135-G179 WeakPolarHBondContact O-CA 3.32Å; T135-D180 PolarHBondContact O-N 3.41Å; T135-F181 HydrophobicContact CG2-CD1 4.45Å; T135-F181 HydrophobicContact CG2-CD2 4.02Å; T135-F181 HydrophobicContact CG2-CE1 4.11Å; T135-F181 HydrophobicContact CG2-CE2 3.64Å; T135-F181 HydrophobicContact CG2-CG 4.41Å; T135-F181 HydrophobicContact CG2-CZ 3.69Å |
| 136 | H | 96.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 98.6 | 169.3 | -178.3 | -162.8 | 0 | 0 | 0 | 108 | Q47 E48 W50 M81 K115 D180 | Q47-H136 HydrophobicContact CB-CB 4.45Å; Q47-H136 HydrophobicContact CG-CB 4.21Å; E48-H136 VanDerWaalsContact CG-CE1 3.44Å; E48-H136 WeakPolarHBondContact CG-CE1 3.23Å; E48-H136 IonicContact OE1-CE1 3.62Å; E48-H136 PolarHBondContact OE1-CE1 3.28Å; E48-H136 IonicContact OE1-NE2 3.38Å; W50-H136 AromaticContact CH2-CE1 3.82Å; W50-H136 AromaticContact CH2-ND1 3.91Å; W50-H136 AromaticContact CZ2-CE1 3.94Å; M81-H136 HydrophobicContact CG-CB 4.26Å; M81-H136 HydrophobicContact SD-CB 4.03Å; K115-H136 WeakPolarHBondContact CB-O 3.25Å; K115-H136 WeakPolarHBondContact CD-O 3.38Å; K115-H136 WeakPolarHBondContact CG-O 3.23Å; K115-H136 PolarHBondContact NZ-CD2 3.44Å; K115-H136 PolarHBondContact NZ-CE1 2.66Å; K115-H136 PolarHBondContact NZ-ND1 3.49Å; K115-H136 PolarHBondContact NZ-NE2 3.3Å; H136-D180 WeakPolarHBondContact CA-O 3.34Å; H136-D180 IonicContact CD2-OD2 2.9Å; H136-D180 IonicContact NE2-OD2 3.75Å |
| 137 | L | 97 | Very high | 95 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -77.6 | 162.4 | -179.5 | -56.4 | -161.9 | 0 | 0 | 0 | 111.2 | F97 K115 T135 Q157 L158 V161 D180 F181 N182 L183 | F97-L137 HydrophobicContact CD2-CD2 4.45Å; F97-L137 HydrophobicContact CE2-CD2 3.49Å; F97-L137 VanDerWaalsContact CE2-CD2 3.49Å; F97-L137 HydrophobicContact CZ-CD2 3.69Å; K115-L137 PolarHBondContact NZ-O 3.07Å; T135-L137 WeakPolarHBondContact OG1-CD2 3.29Å; L137-Q157 HydrophobicContact CD2-CB 3.78Å; L137-L158 HydrophobicContact CD1-CB 3.99Å; L137-L158 HydrophobicContact CD1-CD1 4.06Å; L137-V161 HydrophobicContact CD2-CG2 4.09Å; L137-D180 PolarHBondContact N-O 3.32Å; L137-F181 WeakPolarHBondContact CB-O 3.18Å; L137-F181 HydrophobicContact CD1-CD1 4.37Å; L137-F181 WeakPolarHBondContact CD1-O 3.39Å; L137-N182 PolarHBondContact O-ND2 3.47Å; L137-L183 HydrophobicContact CD1-CD1 4.17Å |
| 138 | I | 95 | Very high | 95 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 136.3 | -177.7 | -168.4 | 165.5 | 0 | 0 | 0 | 112.2 | D110 K115 Y150 H153 R154 N182 | D110-I138 HydrophobicContact CB-CD1 3.91Å; D110-I138 HydrophobicContact CB-CG1 4.06Å; K115-I138 HydrophobicContact CD-CB 3.93Å; K115-I138 HydrophobicContact CD-CG1 4.49Å; I138-Y150 HydrophobicContact CD1-CD1 3.61Å; I138-Y150 HydrophobicContact CD1-CE1 3.93Å; I138-Y150 HydrophobicContact CD1-CG 4.17Å; I138-Y150 HydrophobicContact CG1-CD1 4.45Å; I138-H153 HydrophobicContact CG2-CB 3.84Å; I138-R154 HydrophobicContact CG2-CB 4.34Å; I138-R154 HydrophobicContact CG2-CG 3.52Å; I138-R154 WeakPolarHBondContact O-CD 3.4Å; I138-R154 WeakPolarHBondContact O-CG 3.49Å; I138-R154 PolarHBondContact O-NH1 2.71Å; I138-N182 WeakPolarHBondContact O-CB 3.42Å |
| 139 | A | 93.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 17% | 0.165 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 149.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y141 R154 N182 | A139-Y141 HydrophobicContact CB-CE1 4.32Å; A139-Y141 HydrophobicContact CB-CE2 4.08Å; A139-Y141 WeakPolarHBondContact O-CD2 3.49Å; A139-Y141 WeakPolarHBondContact O-CE2 3.36Å; A139-R154 PolarHBondContact O-NH1 3.35Å; A139-N182 WeakPolarHBondContact CA-OD1 3.46Å |
| 140 | R | 93.6 | Very high | 94.7 | Very high | 23 Ų | 23 | 36.7 Ų | 36.7 | 9% | 0.087 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -86.4 | 121.9 | 170.9 | -171.1 | 177.7 | 77.8 | -145.8 | -1.7 | 108.5 | E142 R154 E184 W237 Y241 E245 | R140-E142 WeakPolarHBondContact CD-O 3.49Å; R140-E142 WeakPolarHBondContact CG-O 3.43Å; R140-E142 PolarHBondContact NE-O 3.18Å; R140-R154 VanDerWaalsContact CA-NH1 3.35Å; R140-R154 VanDerWaalsContact CB-NH2 3.34Å; R140-R154 VanDerWaalsContact CG-NH2 3.34Å; R140-R154 VanDerWaalsContact N-NH1 3.15Å; R140-E184 IonicContact CZ-OE1 2.65Å; R140-E184 IonicContact NH1-OE1 3.74Å; R140-E184 PolarHBondContact NH1-OE1 2.82Å; R140-E184 IonicContact NH1-OE2 2.75Å; R140-E184 IonicContact NH2-OE1 3.48Å; R140-W237 HydrophobicContact CB-CH2 4.09Å; R140-W237 HydrophobicContact CG-CH2 3.97Å; R140-W237 VanDerWaalsContact CZ-CZ3 3.47Å; R140-W237 WeakPolarHBondContact O-CH2 3.49Å; R140-Y241 PolarHBondContact NH1-OH 2.99Å; R140-Y241 PolarHBondContact NH2-OH 2.88Å; R140-E245 IonicContact CZ-OE1 2.62Å; R140-E245 IonicContact NH1-OE1 2.77Å; R140-E245 PolarHBondContact NH1-OE1 2.77Å; R140-E245 IonicContact NH2-OE1 3.15Å; R140-E245 PolarHBondContact NH2-OE1 3.37Å; R140-E245 IonicContact NH2-OE2 3.22Å |
| 141 | Y | 91 | Very high | 94.6 | Very high | 87 Ų | 87 | 37.2 Ų | 37.2 | 34% | 0.341 | 17% | 0.173 | S | C | . | . | trans | -100.7 | -9.7 | -179.4 | -65.2 | -75.3 | 0 | 0 | 0 | 113.7 | Q108 D110 A139 Y150 | Q108-Y141 HydrophobicContact CB-CE2 4.26Å; Q108-Y141 HydrophobicContact CG-CE1 4.1Å; Q108-Y141 HydrophobicContact CG-CE2 4.06Å; D110-Y141 PolarHBondContact OD2-OH 2.91Å; A139-Y141 HydrophobicContact CB-CE1 4.32Å; A139-Y141 HydrophobicContact CB-CE2 4.08Å; A139-Y141 WeakPolarHBondContact O-CD2 3.49Å; A139-Y141 WeakPolarHBondContact O-CE2 3.36Å; Y141-Y150 AromaticContact CD2-CD2 3.69Å; Y141-Y150 HydrophobicContact CD2-CD2 3.69Å; Y141-Y150 AromaticContact CD2-CE2 3.52Å; Y141-Y150 HydrophobicContact CD2-CE2 3.52Å; Y141-Y150 HydrophobicContact CE2-CD2 4.33Å; Y141-Y150 HydrophobicContact CE2-CE2 4.07Å | ||
| 142 | E | 92.9 | Very high | 94.6 | Very high | 65 Ų | 65 | 37.3 Ų | 37.3 | 30% | 0.304 | 17% | 0.174 | S | C | . | . | trans | -122.3 | 129.7 | -177.1 | -59.3 | -70.5 | -178 | 0 | 0 | 109.4 | R140 L147 R149 | R140-E142 WeakPolarHBondContact CD-O 3.49Å; R140-E142 WeakPolarHBondContact CG-O 3.43Å; R140-E142 PolarHBondContact NE-O 3.18Å; E142-L147 HydrophobicContact CB-CB 4.26Å; E142-L147 HydrophobicContact CG-CB 4.33Å; E142-R149 IonicContact OE1-NH2 3.4Å; E142-R149 PolarHBondContact OE1-NH2 2.86Å | ||
| 143 | L | 92.2 | Very high | 94.5 | Very high | 39 Ų | 39 | 37.4 Ų | 37.4 | 20% | 0.204 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -68.9 | -39.3 | 178.7 | -176.5 | 66 | 0 | 0 | 0 | 111.5 | R145 L236 W237 T240 Y241 | L143-R145 PolarHBondContact O-N 2.83Å; L143-L236 HydrophobicContact CD2-CD1 4.43Å; L143-L236 HydrophobicContact CD2-CD2 4.05Å; L143-L236 HydrophobicContact CD2-CG 3.83Å; L143-W237 HydrophobicContact CB-CZ2 4.11Å; L143-W237 HydrophobicContact CD1-CB 4.45Å; L143-W237 HydrophobicContact CD1-CD2 3.7Å; L143-W237 HydrophobicContact CD1-CE3 4.05Å; L143-W237 HydrophobicContact CD1-CG 3.91Å; L143-T240 HydrophobicContact CD1-CG2 4.09Å; L143-T240 HydrophobicContact CD2-CG2 4.18Å; L143-T240 WeakPolarHBondContact CD2-OG1 3.44Å; L143-T240 HydrophobicContact CG-CG2 4.37Å; L143-Y241 HydrophobicContact CD1-CD2 4.36Å; L143-Y241 HydrophobicContact CD1-CE2 3.68Å |
| 144 | D | 92.9 | Very high | 94.4 | Very high | 82 Ų | 82 | 37.5 Ų | 37.5 | 44% | 0.439 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -74.6 | 112.5 | 172.1 | -176.2 | -6.5 | 0 | 0 | 0 | 110 | M146 L147 D148 | D144-M146 PolarHBondContact O-N 3.04Å; D144-M146 VanDerWaalsContact O-N 3.09Å; D144-M146 WeakPolarHBondContact OD1-CB 3.11Å; D144-M146 PolarHBondContact OD1-N 2.91Å; D144-L147 HydrophobicContact CB-CB 4.36Å; D144-L147 HydrophobicContact CB-CD1 4.06Å; D144-L147 HydrophobicContact CB-CG 4.05Å; D144-L147 PolarHBondContact O-N 2.87Å; D144-D148 PolarHBondContact O-N 2.86Å |
| 145 | R | 89.9 | Confident | 94.4 | Very high | 94 Ų | 94 | 37.6 Ų | 37.6 | 36% | 0.355 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.6 | 178.7 | -59.3 | -173.8 | -167.2 | -94.9 | -2.3 | 113.7 | L143 E184 Y241 | L143-R145 PolarHBondContact O-N 2.83Å; R145-E184 IonicContact CZ-OE1 3.23Å; R145-E184 VanDerWaalsContact CZ-OE1 3.22Å; R145-E184 IonicContact CZ-OE2 3.37Å; R145-E184 IonicContact NH1-OE1 3.45Å; R145-E184 PolarHBondContact NH1-OE1 3Å; R145-E184 VanDerWaalsContact NH1-OE1 3.15Å; R145-E184 IonicContact NH1-OE2 3.37Å; R145-E184 PolarHBondContact NH1-OE2 3.34Å; R145-E184 VanDerWaalsContact NH2-CD 3.29Å; R145-E184 IonicContact NH2-OE1 2.86Å; R145-E184 PolarHBondContact NH2-OE1 3.41Å; R145-E184 IonicContact NH2-OE2 2.7Å; R145-E184 PolarHBondContact NH2-OE2 3.24Å; R145-Y241 PolarHBondContact NH2-OH 3.46Å |
| 146 | M | 88.6 | Confident | 94.4 | Very high | 130 Ų | 130 | 37.6 Ų | 37.6 | 64% | 0.64 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -23.4 | 175.4 | -63.7 | -58 | -66.7 | 0 | 0 | 112.4 | D144 | D144-M146 PolarHBondContact O-N 3.04Å; D144-M146 VanDerWaalsContact O-N 3.09Å; D144-M146 WeakPolarHBondContact OD1-CB 3.11Å; D144-M146 PolarHBondContact OD1-N 2.91Å |
| 147 | L | 92.8 | Very high | 94.4 | Very high | 105 Ų | 105 | 37.5 Ų | 37.5 | 55% | 0.55 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -10.6 | 176.5 | -58.5 | -178 | 0 | 0 | 0 | 112.8 | E142 D144 R149 | E142-L147 HydrophobicContact CB-CB 4.26Å; E142-L147 HydrophobicContact CG-CB 4.33Å; D144-L147 HydrophobicContact CB-CB 4.36Å; D144-L147 HydrophobicContact CB-CD1 4.06Å; D144-L147 HydrophobicContact CB-CG 4.05Å; D144-L147 PolarHBondContact O-N 2.87Å; L147-R149 PolarHBondContact O-N 3.41Å |
| 148 | D | 94.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | trans | -67.6 | 91.9 | 179.2 | 173.7 | 28.3 | 0 | 0 | 0 | 112.9 | D144 Y150 N151 R154 | D144-D148 PolarHBondContact O-N 2.86Å; D148-Y150 PolarHBondContact O-N 2.64Å; D148-Y150 VanDerWaalsContact O-N 3.16Å; D148-Y150 PolarHBondContact OD1-N 3.29Å; D148-N151 PolarHBondContact O-N 3.06Å; D148-N151 PolarHBondContact OD1-N 3.1Å; D148-N151 WeakPolarHBondContact OD2-CA 3.36Å; D148-N151 VanDerWaalsContact OD2-CB 3.29Å; D148-N151 WeakPolarHBondContact OD2-CB 3.39Å; D148-N151 PolarHBondContact OD2-N 2.86Å; D148-R154 IonicContact OD1-CZ 3.64Å; D148-R154 IonicContact OD1-NH2 2.76Å; D148-R154 PolarHBondContact OD1-NH2 2.8Å; D148-R154 IonicContact OD2-CZ 3Å; D148-R154 IonicContact OD2-NH2 2.74Å; D148-R154 PolarHBondContact OD2-NH2 2.89Å | ||
| 149 | R | 92.7 | Very high | 94.6 | Very high | 113 Ų | 113 | 38.2 Ų | 38.2 | 43% | 0.426 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -9.7 | 175.9 | 73.1 | -168.4 | 79.2 | -179.7 | 7.7 | 114.5 | Y102 E142 L147 | Y102-R149 HydrophobicContact CE2-CG 4.35Å; E142-R149 IonicContact OE1-NH2 3.4Å; E142-R149 PolarHBondContact OE1-NH2 2.86Å; L147-R149 PolarHBondContact O-N 3.41Å |
| 150 | Y | 94.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -1.1 | -178.8 | -62.9 | -66.6 | 0 | 0 | 0 | 113.3 | Y102 L105 Q108 I138 Y141 D148 G152 H153 R154 | Y102-Y150 AromaticContact CD2-CE1 3.5Å; Y102-Y150 HydrophobicContact CD2-CE1 3.5Å; Y102-Y150 AromaticContact CD2-CZ 3.79Å; Y102-Y150 WeakPolarHBondContact CD2-OH 3.14Å; Y102-Y150 HydrophobicContact CE2-CD1 4.19Å; Y102-Y150 AromaticContact CE2-CE1 3.4Å; Y102-Y150 HydrophobicContact CE2-CE1 3.4Å; Y102-Y150 AromaticContact CE2-CZ 3.9Å; L105-Y150 WeakPolarHBondContact CD1-OH 3.17Å; Q108-Y150 VanDerWaalsContact OE1-CZ 3.26Å; Q108-Y150 PolarHBondContact OE1-OH 2.97Å; I138-Y150 HydrophobicContact CD1-CD1 3.61Å; I138-Y150 HydrophobicContact CD1-CE1 3.93Å; I138-Y150 HydrophobicContact CD1-CG 4.17Å; I138-Y150 HydrophobicContact CG1-CD1 4.45Å; Y141-Y150 AromaticContact CD2-CD2 3.69Å; Y141-Y150 HydrophobicContact CD2-CD2 3.69Å; Y141-Y150 AromaticContact CD2-CE2 3.52Å; Y141-Y150 HydrophobicContact CD2-CE2 3.52Å; Y141-Y150 HydrophobicContact CE2-CD2 4.33Å; Y141-Y150 HydrophobicContact CE2-CE2 4.07Å; D148-Y150 PolarHBondContact O-N 2.64Å; D148-Y150 VanDerWaalsContact O-N 3.16Å; D148-Y150 PolarHBondContact OD1-N 3.29Å; Y150-G152 VanDerWaalsContact C-N 3.32Å; Y150-G152 PolarHBondContact O-N 2.87Å; Y150-H153 WeakPolarHBondContact O-CA 3.37Å; Y150-H153 WeakPolarHBondContact O-CB 3.32Å; Y150-H153 PolarHBondContact O-N 3.47Å; Y150-R154 PolarHBondContact O-N 2.79Å |
| 151 | N | 96.4 | Very high | 95.1 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 6% | 0.064 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -52.7 | -51.2 | 176.3 | 175.7 | -106.1 | 0 | 0 | 0 | 111.3 | D148 H153 R154 I155 Q335 R338 | D148-N151 PolarHBondContact O-N 3.06Å; D148-N151 PolarHBondContact OD1-N 3.1Å; D148-N151 WeakPolarHBondContact OD2-CA 3.36Å; D148-N151 VanDerWaalsContact OD2-CB 3.29Å; D148-N151 WeakPolarHBondContact OD2-CB 3.39Å; D148-N151 PolarHBondContact OD2-N 2.86Å; N151-H153 PolarHBondContact O-N 3.32Å; N151-R154 PolarHBondContact O-N 2.94Å; N151-I155 VanDerWaalsContact O-CG1 3.28Å; N151-I155 WeakPolarHBondContact O-CG1 3.33Å; N151-I155 PolarHBondContact O-N 2.86Å; N151-Q335 PolarHBondContact ND2-OE1 3.39Å; N151-Q335 PolarHBondContact OD1-OE1 3.15Å; N151-R338 PolarHBondContact OD1-NH2 3.44Å |
| 152 | G | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.5 | -36.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y150 S156 L407 | Y150-G152 VanDerWaalsContact C-N 3.32Å; Y150-G152 PolarHBondContact O-N 2.87Å; G152-S156 VanDerWaalsContact O-CB 3.31Å; G152-S156 WeakPolarHBondContact O-CB 3.27Å; G152-S156 PolarHBondContact O-N 3.34Å; G152-L407 WeakPolarHBondContact O-CD2 3.16Å |
| 153 | H | 96.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.8 | -53.5 | 175 | -70.1 | -122.6 | 0 | 0 | 0 | 110.9 | A99 G101 Y102 I138 Y150 N151 I155 S156 Q157 E403 | A99-H153 HydrophobicContact CB-CB 4.4Å; A99-H153 PolarHBondContact O-ND1 3.48Å; G101-H153 PolarHBondContact N-CE1 2.87Å; G101-H153 PolarHBondContact N-ND1 3.3Å; G101-H153 VanDerWaalsContact N-ND1 3.13Å; Y102-H153 AromaticContact CZ-NE2 3.78Å; I138-H153 HydrophobicContact CG2-CB 3.84Å; Y150-H153 WeakPolarHBondContact O-CA 3.37Å; Y150-H153 WeakPolarHBondContact O-CB 3.32Å; Y150-H153 PolarHBondContact O-N 3.47Å; N151-H153 PolarHBondContact O-N 3.32Å; H153-I155 VanDerWaalsContact C-N 3.31Å; H153-I155 PolarHBondContact O-N 3.06Å; H153-S156 WeakPolarHBondContact O-CB 3.24Å; H153-S156 PolarHBondContact O-N 2.81Å; H153-S156 VanDerWaalsContact O-N 3.17Å; H153-Q157 WeakPolarHBondContact O-CG 3.22Å; H153-Q157 PolarHBondContact O-N 3Å; H153-E403 IonicContact NE2-OE1 3.38Å; H153-E403 PolarHBondContact NE2-OE1 3.09Å |
| 154 | R | 97.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.011 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.3 | -46.7 | 177.8 | -91.3 | -169 | -72.8 | -73.2 | 2.9 | 112.5 | I138 A139 R140 D148 Y150 N151 Q157 L158 N182 | I138-R154 HydrophobicContact CG2-CB 4.34Å; I138-R154 HydrophobicContact CG2-CG 3.52Å; I138-R154 WeakPolarHBondContact O-CD 3.4Å; I138-R154 WeakPolarHBondContact O-CG 3.49Å; I138-R154 PolarHBondContact O-NH1 2.71Å; A139-R154 PolarHBondContact O-NH1 3.35Å; R140-R154 VanDerWaalsContact CA-NH1 3.35Å; R140-R154 VanDerWaalsContact CB-NH2 3.34Å; R140-R154 VanDerWaalsContact CG-NH2 3.34Å; R140-R154 VanDerWaalsContact N-NH1 3.15Å; D148-R154 IonicContact OD1-CZ 3.64Å; D148-R154 IonicContact OD1-NH2 2.76Å; D148-R154 PolarHBondContact OD1-NH2 2.8Å; D148-R154 IonicContact OD2-CZ 3Å; D148-R154 IonicContact OD2-NH2 2.74Å; D148-R154 PolarHBondContact OD2-NH2 2.89Å; Y150-R154 PolarHBondContact O-N 2.79Å; N151-R154 PolarHBondContact O-N 2.94Å; R154-Q157 PolarHBondContact O-N 3.4Å; R154-L158 PolarHBondContact O-N 2.91Å; R154-N182 WeakPolarHBondContact CD-O 3.43Å |
| 155 | I | 98 | Very high | 95.8 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.4 | -43.1 | -179.6 | -61.2 | -56.6 | 0 | 0 | 0 | 110.7 | N151 H153 Q157 L158 V159 A189 I332 Q335 L336 | N151-I155 VanDerWaalsContact O-CG1 3.28Å; N151-I155 WeakPolarHBondContact O-CG1 3.33Å; N151-I155 PolarHBondContact O-N 2.86Å; H153-I155 VanDerWaalsContact C-N 3.31Å; H153-I155 PolarHBondContact O-N 3.06Å; I155-Q157 VanDerWaalsContact C-N 3.33Å; I155-Q157 PolarHBondContact O-N 2.88Å; I155-L158 PolarHBondContact O-N 2.9Å; I155-V159 WeakPolarHBondContact O-CG2 3.44Å; I155-V159 PolarHBondContact O-N 3.4Å; I155-A189 HydrophobicContact CD1-CB 3.45Å; I155-A189 VanDerWaalsContact CD1-CB 3.45Å; I155-I332 HydrophobicContact CD1-CD1 4.12Å; I155-I332 HydrophobicContact CG2-CD1 4.23Å; I155-I332 HydrophobicContact CG2-CG2 3.65Å; I155-Q335 HydrophobicContact CG1-CB 4.22Å; I155-L336 HydrophobicContact CB-CD2 4.16Å; I155-L336 HydrophobicContact CG2-CD1 4.31Å; I155-L336 HydrophobicContact CG2-CD2 3.8Å; I155-L336 HydrophobicContact CG2-CG 3.76Å |
| 156 | S | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 173.5 | -176 | 0 | 0 | 0 | 0 | 111.7 | G152 H153 V159 E160 G406 | G152-S156 VanDerWaalsContact O-CB 3.31Å; G152-S156 WeakPolarHBondContact O-CB 3.27Å; G152-S156 PolarHBondContact O-N 3.34Å; H153-S156 WeakPolarHBondContact O-CB 3.24Å; H153-S156 PolarHBondContact O-N 2.81Å; H153-S156 VanDerWaalsContact O-N 3.17Å; S156-V159 PolarHBondContact O-N 3.39Å; S156-E160 WeakPolarHBondContact O-CG 3.14Å; S156-E160 PolarHBondContact O-N 3.34Å; S156-G406 PolarHBondContact OG-O 2.89Å |
| 157 | Q | 98 | Very high | 96 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 179.2 | -64.2 | 169.1 | -15.4 | 0 | 0 | 111.6 | F97 A99 N100 L137 H153 R154 I155 V159 E160 V161 | F97-Q157 HydrophobicContact CB-CB 4.38Å; F97-Q157 HydrophobicContact CB-CG 3.69Å; F97-Q157 HydrophobicContact CD1-CB 4.24Å; F97-Q157 HydrophobicContact CD1-CG 4.46Å; F97-Q157 HydrophobicContact CD2-CB 3.68Å; F97-Q157 HydrophobicContact CD2-CG 3.48Å; F97-Q157 VanDerWaalsContact CD2-CG 3.48Å; F97-Q157 HydrophobicContact CE1-CB 4.48Å; F97-Q157 HydrophobicContact CE2-CB 3.95Å; F97-Q157 HydrophobicContact CE2-CG 4.21Å; F97-Q157 HydrophobicContact CG-CB 3.85Å; F97-Q157 HydrophobicContact CG-CG 3.64Å; F97-Q157 HydrophobicContact CZ-CB 4.34Å; A99-Q157 PolarHBondContact O-NE2 3.28Å; N100-Q157 PolarHBondContact OD1-NE2 3.24Å; L137-Q157 HydrophobicContact CD2-CB 3.78Å; H153-Q157 WeakPolarHBondContact O-CG 3.22Å; H153-Q157 PolarHBondContact O-N 3Å; R154-Q157 PolarHBondContact O-N 3.4Å; I155-Q157 VanDerWaalsContact C-N 3.33Å; I155-Q157 PolarHBondContact O-N 2.88Å; Q157-V159 VanDerWaalsContact C-N 3.3Å; Q157-V159 PolarHBondContact O-N 3.05Å; Q157-E160 WeakPolarHBondContact O-CB 3.47Å; Q157-E160 PolarHBondContact O-N 2.88Å; Q157-E160 VanDerWaalsContact O-N 3.12Å; Q157-V161 WeakPolarHBondContact O-CG2 3.46Å; Q157-V161 PolarHBondContact O-N 3.12Å |
| 158 | L | 98.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 5% | 0.047 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 177.1 | -172.9 | 68.8 | 0 | 0 | 0 | 112.1 | L137 R154 I155 E160 V161 M162 F181 L183 A189 F193 | L137-L158 HydrophobicContact CD1-CB 3.99Å; L137-L158 HydrophobicContact CD1-CD1 4.06Å; R154-L158 PolarHBondContact O-N 2.91Å; I155-L158 PolarHBondContact O-N 2.9Å; L158-E160 VanDerWaalsContact C-N 3.35Å; L158-V161 WeakPolarHBondContact O-CB 3.37Å; L158-V161 PolarHBondContact O-N 3Å; L158-M162 WeakPolarHBondContact O-CB 3.4Å; L158-M162 PolarHBondContact O-N 3.4Å; L158-F181 HydrophobicContact CD1-CD1 3.72Å; L158-F181 HydrophobicContact CD1-CE1 3.79Å; L158-L183 HydrophobicContact CD2-CD1 3.79Å; L158-A189 HydrophobicContact CD2-CB 3.6Å; L158-A189 VanDerWaalsContact CD2-O 3.3Å; L158-A189 WeakPolarHBondContact CD2-O 3.28Å; L158-F193 HydrophobicContact CD1-CB 4.15Å; L158-F193 HydrophobicContact CD1-CD1 4.4Å; L158-F193 HydrophobicContact CD1-CD2 3.77Å; L158-F193 HydrophobicContact CD1-CE2 4.27Å; L158-F193 HydrophobicContact CD1-CG 3.85Å; L158-F193 HydrophobicContact CD2-CB 4.02Å; L158-F193 HydrophobicContact CG-CB 4.19Å; L158-F193 HydrophobicContact CG-CD2 4.18Å; L158-F193 HydrophobicContact CG-CG 4.33Å |
| 159 | V | 98.1 | Very high | 96 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.2 | -39.5 | 173.6 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | I155 S156 Q157 M162 E163 I332 A410 I414 | I155-V159 WeakPolarHBondContact O-CG2 3.44Å; I155-V159 PolarHBondContact O-N 3.4Å; S156-V159 PolarHBondContact O-N 3.39Å; Q157-V159 VanDerWaalsContact C-N 3.3Å; Q157-V159 PolarHBondContact O-N 3.05Å; V159-M162 HydrophobicContact CG1-CE 4.36Å; V159-M162 WeakPolarHBondContact O-CB 3.41Å; V159-M162 PolarHBondContact O-N 3.01Å; V159-E163 PolarHBondContact O-N 2.88Å; V159-I332 HydrophobicContact CG2-CG2 4.48Å; V159-A410 HydrophobicContact CB-CB 4.13Å; V159-A410 HydrophobicContact CG1-CB 4.15Å; V159-A410 HydrophobicContact CG2-CB 4.49Å; V159-I414 HydrophobicContact CG2-CD1 3.86Å; V159-I414 HydrophobicContact CG2-CG1 4.14Å |
| 160 | E | 98.1 | Very high | 95.7 | Very high | 26 Ų | 26 | 18.1 Ų | 18.1 | 12% | 0.121 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 172.8 | -68.1 | -177.4 | -117.2 | 0 | 0 | 111.7 | H95 F97 T98 S156 Q157 L158 M162 F164 | H95-E160 IonicContact CD2-OE2 3.28Å; H95-E160 IonicContact CE1-OE2 2.74Å; H95-E160 IonicContact NE2-OE2 2.95Å; H95-E160 PolarHBondContact NE2-OE2 3.37Å; F97-E160 WeakPolarHBondContact CA-OE2 3.47Å; F97-E160 HydrophobicContact CD1-CB 3.87Å; F97-E160 HydrophobicContact CE1-CB 4.19Å; T98-E160 PolarHBondContact N-OE1 3.4Å; T98-E160 PolarHBondContact N-OE2 2.91Å; S156-E160 WeakPolarHBondContact O-CG 3.14Å; S156-E160 PolarHBondContact O-N 3.34Å; Q157-E160 WeakPolarHBondContact O-CB 3.47Å; Q157-E160 PolarHBondContact O-N 2.88Å; Q157-E160 VanDerWaalsContact O-N 3.12Å; L158-E160 VanDerWaalsContact C-N 3.35Å; E160-M162 VanDerWaalsContact C-N 3.34Å; E160-M162 PolarHBondContact O-N 3.28Å; E160-F164 WeakPolarHBondContact O-CB 3.41Å; E160-F164 PolarHBondContact O-N 3.44Å |
| 161 | V | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.7 | -48.4 | 172.6 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | F97 I117 L137 Q157 L158 E163 F164 V165 F193 | F97-V161 HydrophobicContact CE1-CG2 3.62Å; F97-V161 HydrophobicContact CZ-CG2 3.45Å; F97-V161 VanDerWaalsContact CZ-CG2 3.45Å; I117-V161 HydrophobicContact CB-CG2 4.39Å; I117-V161 HydrophobicContact CD1-CB 4.3Å; I117-V161 HydrophobicContact CD1-CG1 3.79Å; I117-V161 HydrophobicContact CD1-CG2 4.26Å; L137-V161 HydrophobicContact CD2-CG2 4.09Å; Q157-V161 WeakPolarHBondContact O-CG2 3.46Å; Q157-V161 PolarHBondContact O-N 3.12Å; L158-V161 WeakPolarHBondContact O-CB 3.37Å; L158-V161 PolarHBondContact O-N 3Å; V161-E163 PolarHBondContact O-N 3.32Å; V161-F164 PolarHBondContact O-N 3.45Å; V161-V165 VanDerWaalsContact O-CG2 3.31Å; V161-V165 WeakPolarHBondContact O-CG2 3.25Å; V161-V165 PolarHBondContact O-N 3.49Å; V161-F193 HydrophobicContact CB-CE2 4.29Å; V161-F193 HydrophobicContact CG1-CE2 3.47Å; V161-F193 VanDerWaalsContact CG1-CE2 3.47Å; V161-F193 HydrophobicContact CG1-CZ 3.77Å |
| 162 | M | 96.6 | Very high | 95 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.02 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.6 | -53.2 | -177.9 | -175 | 175.5 | 59.4 | 0 | 0 | 111.7 | L158 V159 E160 V165 R166 F193 S196 L197 I414 L417 | L158-M162 WeakPolarHBondContact O-CB 3.4Å; L158-M162 PolarHBondContact O-N 3.4Å; V159-M162 HydrophobicContact CG1-CE 4.36Å; V159-M162 WeakPolarHBondContact O-CB 3.41Å; V159-M162 PolarHBondContact O-N 3.01Å; E160-M162 VanDerWaalsContact C-N 3.34Å; E160-M162 PolarHBondContact O-N 3.28Å; M162-V165 PolarHBondContact O-N 3.45Å; M162-R166 PolarHBondContact O-N 3.03Å; M162-F193 HydrophobicContact CB-CD2 3.97Å; M162-F193 HydrophobicContact CB-CE2 4.3Å; M162-F193 HydrophobicContact CG-CD2 4.39Å; M162-S196 WeakPolarHBondContact SD-CB 3.46Å; M162-L197 HydrophobicContact CG-CD1 4.23Å; M162-L197 HydrophobicContact CG-CD2 4.33Å; M162-L197 HydrophobicContact CG-CG 4.03Å; M162-I414 HydrophobicContact CE-CD1 4.42Å; M162-L417 HydrophobicContact CE-CD1 3.53Å; M162-L417 HydrophobicContact SD-CD1 4.42Å |
| 163 | E | 95.4 | Very high | 94.9 | Very high | 46 Ų | 46 | 20.9 Ų | 20.9 | 22% | 0.215 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.1 | -33.7 | -177.3 | -65.7 | -53.7 | 119.9 | 0 | 0 | 112.2 | V159 V161 R166 M167 | V159-E163 PolarHBondContact O-N 2.88Å; V161-E163 PolarHBondContact O-N 3.32Å; E163-R166 WeakPolarHBondContact O-CB 3.43Å; E163-R166 PolarHBondContact O-N 2.87Å; E163-R166 IonicContact OE1-CZ 3.6Å; E163-R166 IonicContact OE1-NE 2.73Å; E163-R166 PolarHBondContact OE1-NE 3.48Å; E163-R166 IonicContact OE1-NH2 3.74Å; E163-R166 PolarHBondContact OE1-NH2 3.21Å; E163-R166 VanDerWaalsContact OE1-NH2 3.15Å; E163-R166 IonicContact OE2-NE 3.59Å; E163-R166 PolarHBondContact OE2-NE 2.91Å; E163-M167 VanDerWaalsContact O-CG 3.28Å; E163-M167 WeakPolarHBondContact O-CG 3.36Å; E163-M167 PolarHBondContact O-N 3.15Å |
| 164 | F | 96.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 20.8 Ų | 20.8 | 9% | 0.088 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 173.1 | 179.9 | -89.6 | 0 | 0 | 0 | 112.1 | F93 H95 I117 L119 Y133 E160 V161 M167 T168 | F93-F164 AromaticContact CD1-CE2 3.42Å; F93-F164 HydrophobicContact CD1-CE2 3.42Å; F93-F164 VanDerWaalsContact CD1-CE2 3.42Å; F93-F164 AromaticContact CD1-CZ 3.58Å; F93-F164 HydrophobicContact CD1-CZ 3.58Å; F93-F164 AromaticContact CE1-CE2 3.56Å; F93-F164 HydrophobicContact CE1-CE2 3.56Å; F93-F164 HydrophobicContact CE1-CZ 4.21Å; H95-F164 HydrophobicContact CB-CD2 3.56Å; H95-F164 HydrophobicContact CB-CE2 3.45Å; H95-F164 VanDerWaalsContact CB-CE2 3.45Å; H95-F164 HydrophobicContact CB-CG 4.44Å; H95-F164 HydrophobicContact CB-CZ 4.26Å; I117-F164 HydrophobicContact CD1-CD1 3.81Å; I117-F164 HydrophobicContact CD1-CE1 4.23Å; I117-F164 HydrophobicContact CG1-CD1 4.35Å; I117-F164 HydrophobicContact CG1-CE1 4.35Å; I117-F164 HydrophobicContact CG2-CB 4.33Å; I117-F164 HydrophobicContact CG2-CD1 3.74Å; I117-F164 HydrophobicContact CG2-CD2 4.25Å; I117-F164 HydrophobicContact CG2-CE1 3.97Å; I117-F164 HydrophobicContact CG2-CE2 4.46Å; I117-F164 HydrophobicContact CG2-CG 3.86Å; I117-F164 HydrophobicContact CG2-CZ 4.32Å; L119-F164 HydrophobicContact CB-CE1 3.9Å; L119-F164 HydrophobicContact CB-CZ 4.02Å; L119-F164 HydrophobicContact CD2-CE1 4.41Å; L119-F164 HydrophobicContact CD2-CZ 4.4Å; Y133-F164 HydrophobicContact CD1-CD1 4.15Å; Y133-F164 AromaticContact CD1-CE1 3.85Å; Y133-F164 HydrophobicContact CD1-CE1 3.85Å; Y133-F164 AromaticContact CE1-CD1 3.95Å; Y133-F164 HydrophobicContact CE1-CD1 3.95Å; Y133-F164 AromaticContact CE1-CE1 3.7Å; Y133-F164 HydrophobicContact CE1-CE1 3.7Å; E160-F164 WeakPolarHBondContact O-CB 3.41Å; E160-F164 PolarHBondContact O-N 3.44Å; V161-F164 PolarHBondContact O-N 3.45Å; F164-M167 PolarHBondContact O-N 2.92Å; F164-T168 HydrophobicContact CD1-CG2 4.45Å; F164-T168 HydrophobicContact CE1-CG2 4.25Å; F164-T168 HydrophobicContact CE2-CG2 4.33Å; F164-T168 HydrophobicContact CZ-CG2 4.19Å; F164-T168 WeakPolarHBondContact O-CB 3.3Å; F164-T168 VanDerWaalsContact O-CG2 3.32Å; F164-T168 WeakPolarHBondContact O-CG2 3.21Å; F164-T168 PolarHBondContact O-N 3Å; F164-T168 VanDerWaalsContact O-N 3.16Å; F164-T168 PolarHBondContact O-OG1 2.84Å |
| 165 | V | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.3 | -44.8 | 176.7 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | I117 Y133 V161 M162 M167 T168 S169 I175 I177 L197 | I117-V165 HydrophobicContact CD1-CG2 4.11Å; Y133-V165 HydrophobicContact CD1-CG2 3.93Å; Y133-V165 HydrophobicContact CE1-CG2 3.93Å; Y133-V165 HydrophobicContact CG-CG2 4.24Å; V161-V165 VanDerWaalsContact O-CG2 3.31Å; V161-V165 WeakPolarHBondContact O-CG2 3.25Å; V161-V165 PolarHBondContact O-N 3.49Å; M162-V165 PolarHBondContact O-N 3.45Å; V165-M167 PolarHBondContact O-N 2.74Å; V165-T168 PolarHBondContact O-N 3.23Å; V165-T168 PolarHBondContact O-OG1 3.38Å; V165-S169 VanDerWaalsContact O-CB 3.27Å; V165-S169 WeakPolarHBondContact O-CB 3.36Å; V165-S169 PolarHBondContact O-N 2.75Å; V165-S169 VanDerWaalsContact O-N 3.13Å; V165-S169 PolarHBondContact O-OG 3.24Å; V165-I175 HydrophobicContact CG1-CD1 3.74Å; V165-I177 HydrophobicContact CB-CD1 4.45Å; V165-I177 HydrophobicContact CG1-CD1 3.83Å; V165-I177 HydrophobicContact CG2-CD1 3.91Å; V165-I177 HydrophobicContact CG2-CG1 4.23Å; V165-L197 HydrophobicContact CB-CD1 3.9Å; V165-L197 HydrophobicContact CB-CD2 4.47Å; V165-L197 HydrophobicContact CG1-CD1 3.84Å; V165-L197 HydrophobicContact CG1-CD2 4.23Å; V165-L197 HydrophobicContact CG2-CD1 4.49Å |
| 166 | R | 91.6 | Very high | 94.9 | Very high | 25 Ų | 25 | 20.5 Ų | 20.5 | 9% | 0.094 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -54.7 | -38.8 | 176.9 | -168 | -174.3 | -53.9 | -65.4 | -2.7 | 112 | M162 E163 S196 L197 | M162-R166 PolarHBondContact O-N 3.03Å; E163-R166 WeakPolarHBondContact O-CB 3.43Å; E163-R166 PolarHBondContact O-N 2.87Å; E163-R166 IonicContact OE1-CZ 3.6Å; E163-R166 IonicContact OE1-NE 2.73Å; E163-R166 PolarHBondContact OE1-NE 3.48Å; E163-R166 IonicContact OE1-NH2 3.74Å; E163-R166 PolarHBondContact OE1-NH2 3.21Å; E163-R166 VanDerWaalsContact OE1-NH2 3.15Å; E163-R166 IonicContact OE2-NE 3.59Å; E163-R166 PolarHBondContact OE2-NE 2.91Å; R166-S196 PolarHBondContact NH1-O 3.18Å; R166-S196 PolarHBondContact NH2-O 3.34Å; R166-L197 HydrophobicContact CB-CD2 4.13Å |
| 167 | M | 91.7 | Very high | 94.9 | Very high | 140 Ų | 140 | 20.5 Ų | 20.5 | 69% | 0.69 | 12% | 0.116 | S | C | * | . | H | α-helix | trans | -84.8 | -15 | -176.9 | -63.6 | -73 | 71.4 | 0 | 0 | 115.4 | E163 F164 V165 | E163-M167 VanDerWaalsContact O-CG 3.28Å; E163-M167 WeakPolarHBondContact O-CG 3.36Å; E163-M167 PolarHBondContact O-N 3.15Å; F164-M167 PolarHBondContact O-N 2.92Å; V165-M167 PolarHBondContact O-N 2.74Å |
| 168 | T | 93.6 | Very high | 94.9 | Very high | 31 Ų | 31 | 20.5 Ų | 20.5 | 19% | 0.19 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -113.5 | -10.7 | -172.7 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | L119 N131 Y133 F164 V165 | L119-T168 HydrophobicContact CD2-CG2 4.06Å; N131-T168 PolarHBondContact ND2-O 3.41Å; Y133-T168 VanDerWaalsContact CE1-OG1 3.27Å; Y133-T168 WeakPolarHBondContact CE1-OG1 3.24Å; Y133-T168 PolarHBondContact OH-OG1 3.37Å; F164-T168 HydrophobicContact CD1-CG2 4.45Å; F164-T168 HydrophobicContact CE1-CG2 4.25Å; F164-T168 HydrophobicContact CE2-CG2 4.33Å; F164-T168 HydrophobicContact CZ-CG2 4.19Å; F164-T168 WeakPolarHBondContact O-CB 3.3Å; F164-T168 VanDerWaalsContact O-CG2 3.32Å; F164-T168 WeakPolarHBondContact O-CG2 3.21Å; F164-T168 PolarHBondContact O-N 3Å; F164-T168 VanDerWaalsContact O-N 3.16Å; F164-T168 PolarHBondContact O-OG1 2.84Å; V165-T168 PolarHBondContact O-N 3.23Å; V165-T168 PolarHBondContact O-OG1 3.38Å |
| 169 | S | 92.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -85.8 | -20.2 | -170.2 | 47.2 | 0 | 0 | 0 | 0 | 115.7 | V165 G171 S172 R253 D260 | V165-S169 VanDerWaalsContact O-CB 3.27Å; V165-S169 WeakPolarHBondContact O-CB 3.36Å; V165-S169 PolarHBondContact O-N 2.75Å; V165-S169 VanDerWaalsContact O-N 3.13Å; V165-S169 PolarHBondContact O-OG 3.24Å; S169-G171 PolarHBondContact O-N 3.47Å; S169-S172 PolarHBondContact O-N 3.49Å; S169-S172 PolarHBondContact O-OG 3.05Å; S169-R253 PolarHBondContact OG-NH2 2.93Å; S169-R253 VanDerWaalsContact OG-NH2 3.09Å; S169-D260 PolarHBondContact OG-OD1 2.82Å | ||
| 170 | T | 85.8 | Confident | 94.9 | Very high | 49 Ų | 49 | 19.8 Ų | 19.8 | 30% | 0.301 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27.8 | -172.7 | -45.7 | 0 | 0 | 0 | 0 | 116.1 | D260 I264 | T170-D260 HydrophobicContact CG2-CB 4.05Å; T170-D260 WeakPolarHBondContact CG2-O 3.26Å; T170-D260 PolarHBondContact OG1-O 3.42Å; T170-I264 HydrophobicContact CG2-CD1 3.91Å |
| 171 | G | 84.8 | Confident | 94.9 | Very high | 45 Ų | 45 | 18.6 Ų | 18.6 | 46% | 0.464 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 12.7 | -176 | 0 | 0 | 0 | 0 | 0 | 116 | S169 | S169-G171 PolarHBondContact O-N 3.47Š|
| 172 | S | 92.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 19.2 Ų | 19.2 | 3% | 0.028 | 11% | 0.11 | C | C | . | . | trans | -118 | 146.2 | -171.9 | 63.3 | 0 | 0 | 0 | 0 | 113 | R129 S169 A174 I175 G255 | R129-S172 CarbonylContact O-C 3.56Å; S169-S172 PolarHBondContact O-N 3.49Å; S169-S172 PolarHBondContact O-OG 3.05Å; S172-A174 VanDerWaalsContact C-N 3.26Å; S172-A174 WeakPolarHBondContact CB-O 3.34Å; S172-A174 PolarHBondContact OG-O 2.88Å; S172-I175 VanDerWaalsContact OG-CG2 3.25Å; S172-I175 WeakPolarHBondContact OG-CG2 3.43Å; S172-G255 CarbonylContact O-C 3.55Å; S172-G255 WeakPolarHBondContact O-CA 3.46Å | ||
| 173 | D | 94.4 | Very high | 94.9 | Very high | 25 Ų | 25 | 19.3 Ų | 19.3 | 13% | 0.134 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -69.8 | -27.6 | 172.8 | -68.2 | -57 | 0 | 0 | 0 | 111.4 | F128 R129 G255 A268 I303 | F128-D173 WeakPolarHBondContact CA-OD2 3.18Å; F128-D173 HydrophobicContact CD1-CB 4.43Å; R129-D173 PolarHBondContact N-OD2 3.25Å; R129-D173 WeakPolarHBondContact O-CB 3.39Å; R129-D173 PolarHBondContact O-N 2.9Å; D173-G255 WeakPolarHBondContact O-CA 3.24Å; D173-G255 PolarHBondContact O-N 3.39Å; D173-A268 HydrophobicContact CB-CB 3.82Å; D173-I303 HydrophobicContact CB-CD1 4.3Å |
| 174 | A | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 161.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I130 N131 S172 R253 L270 I303 | I130-A174 WeakPolarHBondContact CA-O 3.48Å; I130-A174 HydrophobicContact CG2-CB 4.45Å; N131-A174 PolarHBondContact N-O 3.3Å; S172-A174 VanDerWaalsContact C-N 3.26Å; S172-A174 WeakPolarHBondContact CB-O 3.34Å; S172-A174 PolarHBondContact OG-O 2.88Å; A174-R253 WeakPolarHBondContact CA-O 3.48Å; A174-L270 HydrophobicContact CB-CB 3.99Å; A174-L270 HydrophobicContact CB-CD2 3.78Å; A174-L270 HydrophobicContact CB-CG 4.33Å; A174-I303 HydrophobicContact CB-CD1 3.88Å |
| 175 | I | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 145.9 | 170.3 | 69.7 | 171.7 | 0 | 0 | 0 | 111.2 | N131 Y133 V165 S172 I177 L199 Y252 R253 | N131-I175 HydrophobicContact CB-CG2 4.03Å; N131-I175 WeakPolarHBondContact O-CA 3.31Å; Y133-I175 HydrophobicContact CE2-CB 4.02Å; Y133-I175 HydrophobicContact CE2-CG2 4.13Å; V165-I175 HydrophobicContact CG1-CD1 3.74Å; S172-I175 VanDerWaalsContact OG-CG2 3.25Å; S172-I175 WeakPolarHBondContact OG-CG2 3.43Å; I175-I177 HydrophobicContact CD1-CD1 4.13Å; I175-L199 HydrophobicContact CD1-CD2 4.05Å; I175-Y252 VanDerWaalsContact O-CA 3.31Å; I175-Y252 WeakPolarHBondContact O-CA 3.28Å; I175-R253 HydrophobicContact CD1-CG 3.79Å; I175-R253 HydrophobicContact CG1-CG 3.46Å; I175-R253 VanDerWaalsContact CG1-CG 3.46Å; I175-R253 PolarHBondContact N-O 3.25Å; I175-R253 PolarHBondContact O-N 2.88Å; I175-R253 VanDerWaalsContact O-N 3.09Å |
| 176 | I | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 122.1 | 173.4 | -64.8 | 177.7 | 0 | 0 | 0 | 107.5 | F6 V8 I130 N131 F132 Y133 T178 I250 F251 L270 F301 | F6-I176 HydrophobicContact CE2-CD1 3.58Å; F6-I176 HydrophobicContact CZ-CD1 3.8Å; V8-I176 HydrophobicContact CG1-CG2 4.35Å; V8-I176 HydrophobicContact CG2-CD1 4Å; I130-I176 HydrophobicContact CG2-CD1 4.34Å; I130-I176 HydrophobicContact CG2-CG1 4.4Å; N131-I176 PolarHBondContact O-N 3.22Å; F132-I176 CarbonylContact C-O 3.58Å; F132-I176 WeakPolarHBondContact CA-O 3.35Å; F132-I176 HydrophobicContact CD1-CB 3.95Å; F132-I176 HydrophobicContact CD1-CD1 4.43Å; F132-I176 HydrophobicContact CD1-CG2 4.17Å; F132-I176 HydrophobicContact CE1-CB 4.09Å; F132-I176 HydrophobicContact CE1-CD1 3.7Å; F132-I176 HydrophobicContact CE1-CG1 4.38Å; F132-I176 HydrophobicContact CE1-CG2 4.33Å; F132-I176 HydrophobicContact CZ-CD1 4.19Å; Y133-I176 PolarHBondContact N-O 2.88Å; I176-T178 HydrophobicContact CG2-CG2 3.7Å; I176-I250 HydrophobicContact CG2-CG2 3.92Å; I176-F251 CarbonylContact C-O 3.59Å; I176-F251 WeakPolarHBondContact CA-O 2.91Å; I176-L270 HydrophobicContact CD1-CD2 4.24Å; I176-L270 HydrophobicContact CG1-CD2 4.02Å; I176-F301 HydrophobicContact CD1-CD2 4.04Å; I176-F301 HydrophobicContact CD1-CE2 3.95Å; I176-F301 HydrophobicContact CD1-CG 4.46Å; I176-F301 HydrophobicContact CD1-CZ 4.32Å |
| 177 | I | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.5 | -178.5 | -51.8 | 158.4 | 0 | 0 | 0 | 107.8 | Y133 V165 I175 F181 F193 L197 L199 F251 | Y133-I177 HydrophobicContact CD2-CG1 3.72Å; Y133-I177 HydrophobicContact CE2-CG1 4.46Å; Y133-I177 HydrophobicContact CG-CG1 4.12Å; V165-I177 HydrophobicContact CB-CD1 4.45Å; V165-I177 HydrophobicContact CG1-CD1 3.83Å; V165-I177 HydrophobicContact CG2-CD1 3.91Å; V165-I177 HydrophobicContact CG2-CG1 4.23Å; I175-I177 HydrophobicContact CD1-CD1 4.13Å; I177-F181 HydrophobicContact CG2-CZ 4.02Å; I177-F193 HydrophobicContact CD1-CZ 4.12Å; I177-F193 HydrophobicContact CG2-CZ 4.29Å; I177-L197 HydrophobicContact CD1-CD1 4.43Å; I177-L199 HydrophobicContact CD1-CD1 3.6Å; I177-L199 HydrophobicContact CD1-CD2 3.66Å; I177-L199 HydrophobicContact CD1-CG 4.29Å; I177-F251 HydrophobicContact CB-CB 4.27Å; I177-F251 PolarHBondContact N-O 3Å; I177-F251 PolarHBondContact O-N 3.41Å |
| 178 | T | 98.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 170 | -175.7 | 85 | 0 | 0 | 0 | 0 | 112.1 | V8 T10 L45 Y133 V134 T135 I176 Y249 I250 | V8-T178 HydrophobicContact CG1-CG2 4.36Å; T10-T178 WeakPolarHBondContact CB-OG1 3.46Å; T10-T178 WeakPolarHBondContact OG1-CB 3.39Å; T10-T178 PolarHBondContact OG1-OG1 2.85Å; L45-T178 WeakPolarHBondContact CB-OG1 2.92Å; L45-T178 HydrophobicContact CD1-CG2 3.98Å; Y133-T178 PolarHBondContact O-N 2.94Å; Y133-T178 PolarHBondContact O-OG1 2.94Å; V134-T178 CarbonylContact C-O 3.41Å; V134-T178 VanDerWaalsContact CA-O 3.32Å; V134-T178 WeakPolarHBondContact CA-O 3.28Å; T135-T178 PolarHBondContact N-O 2.6Å; I176-T178 HydrophobicContact CG2-CG2 3.7Å; T178-Y249 VanDerWaalsContact CA-O 3.24Å; T178-Y249 WeakPolarHBondContact CA-O 3.42Å; T178-I250 HydrophobicContact CG2-CB 4.48Å; T178-I250 HydrophobicContact CG2-CG1 4.04Å; T178-I250 HydrophobicContact CG2-CG2 4.26Å |
| 179 | G | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 130.7 | -172.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T10 T135 F181 D248 Y249 | T10-G179 WeakPolarHBondContact OG1-CA 3.29Å; T10-G179 PolarHBondContact OG1-N 2.78Å; T135-G179 VanDerWaalsContact O-CA 3.29Å; T135-G179 WeakPolarHBondContact O-CA 3.32Å; G179-F181 WeakPolarHBondContact O-CD2 3.26Å; G179-D248 WeakPolarHBondContact O-CA 3.28Å; G179-Y249 PolarHBondContact N-O 3.49Å; G179-Y249 PolarHBondContact O-N 2.96Å; G179-Y249 VanDerWaalsContact O-N 3.13Å |
| 180 | D | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 108 | 176.8 | -179.9 | -2.4 | 0 | 0 | 0 | 109.2 | N12 T135 H136 L137 N182 H294 | N12-D180 HydrophobicContact CB-CB 4.49Å; N12-D180 PolarHBondContact ND2-OD2 3Å; T135-D180 PolarHBondContact O-N 3.41Å; H136-D180 WeakPolarHBondContact CA-O 3.34Å; H136-D180 IonicContact CD2-OD2 2.9Å; H136-D180 IonicContact NE2-OD2 3.75Å; L137-D180 PolarHBondContact N-O 3.32Å; D180-N182 VanDerWaalsContact CG-ND2 3.26Å; D180-N182 VanDerWaalsContact OD1-CG 3.31Å; D180-N182 PolarHBondContact OD1-N 3.37Å; D180-N182 PolarHBondContact OD1-ND2 3.45Å; D180-N182 VanDerWaalsContact OD1-ND2 3.1Å; D180-N182 PolarHBondContact OD2-ND2 3.4Å; D180-N182 VanDerWaalsContact OD2-ND2 3.12Å; D180-H294 IonicContact OD2-CE1 3.69Å; D180-H294 PolarHBondContact OD2-CE1 3.47Å |
| 181 | F | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -85.1 | -12.1 | -179 | -78.9 | -109.5 | 0 | 0 | 0 | 112.4 | T135 L137 L158 I177 G179 L183 I190 F193 L247 Y249 F251 | T135-F181 HydrophobicContact CG2-CD1 4.45Å; T135-F181 HydrophobicContact CG2-CD2 4.02Å; T135-F181 HydrophobicContact CG2-CE1 4.11Å; T135-F181 HydrophobicContact CG2-CE2 3.64Å; T135-F181 HydrophobicContact CG2-CG 4.41Å; T135-F181 HydrophobicContact CG2-CZ 3.69Å; L137-F181 WeakPolarHBondContact CB-O 3.18Å; L137-F181 HydrophobicContact CD1-CD1 4.37Å; L137-F181 WeakPolarHBondContact CD1-O 3.39Å; L158-F181 HydrophobicContact CD1-CD1 3.72Å; L158-F181 HydrophobicContact CD1-CE1 3.79Å; I177-F181 HydrophobicContact CG2-CZ 4.02Å; G179-F181 WeakPolarHBondContact O-CD2 3.26Å; F181-L183 HydrophobicContact CB-CB 4.48Å; F181-L183 WeakPolarHBondContact O-CG 3.45Å; F181-L183 PolarHBondContact O-N 2.95Å; F181-I190 HydrophobicContact CB-CD1 4.2Å; F181-I190 HydrophobicContact CD1-CD1 3.89Å; F181-I190 HydrophobicContact CG-CD1 4.28Å; F181-F193 HydrophobicContact CE1-CD1 4.15Å; F181-F193 AromaticContact CE1-CE1 3.68Å; F181-F193 HydrophobicContact CE1-CE1 3.68Å; F181-F193 AromaticContact CE1-CZ 3.94Å; F181-F193 HydrophobicContact CE1-CZ 3.94Å; F181-F193 AromaticContact CZ-CE1 3.95Å; F181-F193 HydrophobicContact CZ-CE1 3.95Å; F181-F193 HydrophobicContact CZ-CZ 4.18Å; F181-L247 PolarHBondContact N-O 2.97Å; F181-Y249 HydrophobicContact CB-CD2 3.89Å; F181-Y249 HydrophobicContact CB-CE2 3.95Å; F181-Y249 AromaticContact CD2-CD2 3.69Å; F181-Y249 HydrophobicContact CD2-CD2 3.69Å; F181-Y249 HydrophobicContact CD2-CG 4.34Å; F181-Y249 HydrophobicContact CE2-CD2 4.49Å; F181-Y249 AromaticContact CG-CD2 3.94Å; F181-Y249 HydrophobicContact CG-CD2 3.94Å; F181-Y249 HydrophobicContact CG-CE2 4.43Å; F181-F251 HydrophobicContact CD2-CE2 4.47Å; F181-F251 HydrophobicContact CE1-CD2 4.46Å; F181-F251 HydrophobicContact CE1-CE2 4.12Å; F181-F251 HydrophobicContact CE2-CD2 4.13Å; F181-F251 HydrophobicContact CE2-CE2 4.04Å; F181-F251 AromaticContact CZ-CD2 3.85Å; F181-F251 HydrophobicContact CZ-CD2 3.85Å; F181-F251 AromaticContact CZ-CE2 3.85Å; F181-F251 HydrophobicContact CZ-CE2 3.85Å | ||
| 182 | N | 97.3 | Very high | 96.2 | Very high | 14 Ų | 14 | 15.9 Ų | 15.9 | 8% | 0.075 | 9% | 0.088 | C | C | . | . | S | Bend | trans | 47.1 | 30.9 | -175.4 | -81 | -74.8 | 0 | 0 | 0 | 113.3 | L137 I138 A139 R154 D180 | L137-N182 PolarHBondContact O-ND2 3.47Å; I138-N182 WeakPolarHBondContact O-CB 3.42Å; A139-N182 WeakPolarHBondContact CA-OD1 3.46Å; R154-N182 WeakPolarHBondContact CD-O 3.43Å; D180-N182 VanDerWaalsContact CG-ND2 3.26Å; D180-N182 VanDerWaalsContact OD1-CG 3.31Å; D180-N182 PolarHBondContact OD1-N 3.37Å; D180-N182 PolarHBondContact OD1-ND2 3.45Å; D180-N182 VanDerWaalsContact OD1-ND2 3.1Å; D180-N182 PolarHBondContact OD2-ND2 3.4Å; D180-N182 VanDerWaalsContact OD2-ND2 3.12Å |
| 183 | L | 97 | Very high | 96.4 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -141 | 134.7 | -178.7 | -73.3 | 171.2 | 0 | 0 | 0 | 108.5 | L137 L158 F181 A189 I190 Y249 | L137-L183 HydrophobicContact CD1-CD1 4.17Å; L158-L183 HydrophobicContact CD2-CD1 3.79Å; F181-L183 HydrophobicContact CB-CB 4.48Å; F181-L183 WeakPolarHBondContact O-CG 3.45Å; F181-L183 PolarHBondContact O-N 2.95Å; L183-A189 HydrophobicContact CD1-CB 4.02Å; L183-I190 HydrophobicContact CB-CD1 3.99Å; L183-I190 HydrophobicContact CB-CG1 3.85Å; L183-I190 HydrophobicContact CD1-CD1 4.41Å; L183-Y249 VanDerWaalsContact O-CE2 3.31Å; L183-Y249 WeakPolarHBondContact O-CE2 3.5Å; L183-Y249 PolarHBondContact O-OH 2.77Å |
| 184 | E | 94.1 | Very high | 96.4 | Very high | 9 Ų | 9 | 15.6 Ų | 15.6 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | trans | -80 | 157.3 | -179.9 | -51.2 | 97.5 | 126.6 | 0 | 0 | 112.2 | R140 R145 N186 T187 I190 Y241 E245 L247 | R140-E184 IonicContact CZ-OE1 2.65Å; R140-E184 IonicContact NH1-OE1 3.74Å; R140-E184 PolarHBondContact NH1-OE1 2.82Å; R140-E184 IonicContact NH1-OE2 2.75Å; R140-E184 IonicContact NH2-OE1 3.48Å; R145-E184 IonicContact CZ-OE1 3.23Å; R145-E184 VanDerWaalsContact CZ-OE1 3.22Å; R145-E184 IonicContact CZ-OE2 3.37Å; R145-E184 IonicContact NH1-OE1 3.45Å; R145-E184 PolarHBondContact NH1-OE1 3Å; R145-E184 VanDerWaalsContact NH1-OE1 3.15Å; R145-E184 IonicContact NH1-OE2 3.37Å; R145-E184 PolarHBondContact NH1-OE2 3.34Å; R145-E184 VanDerWaalsContact NH2-CD 3.29Å; R145-E184 IonicContact NH2-OE1 2.86Å; R145-E184 PolarHBondContact NH2-OE1 3.41Å; R145-E184 IonicContact NH2-OE2 2.7Å; R145-E184 PolarHBondContact NH2-OE2 3.24Å; E184-N186 WeakPolarHBondContact CB-OD1 3.38Å; E184-N186 PolarHBondContact O-N 3.18Å; E184-T187 HydrophobicContact CB-CG2 4.28Å; E184-T187 WeakPolarHBondContact O-CB 3.44Å; E184-T187 VanDerWaalsContact O-CG2 3.31Å; E184-T187 WeakPolarHBondContact O-CG2 3.37Å; E184-T187 PolarHBondContact O-N 3.41Å; E184-T187 VanDerWaalsContact O-N 3.08Å; E184-T187 PolarHBondContact O-OG1 2.91Å; E184-I190 WeakPolarHBondContact O-CG1 3.42Å; E184-Y241 PolarHBondContact OE1-OH 3.28Å; E184-E245 HydrophobicContact CG-CB 4.33Å; E184-E245 HydrophobicContact CG-CG 4.33Å; E184-L247 HydrophobicContact CG-CD2 4.03Å | ||
| 185 | S | 91.9 | Very high | 96.1 | Very high | 31 Ų | 31 | 18.5 Ų | 18.5 | 22% | 0.217 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -27.3 | -170.8 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | T187 E219 Y249 | S185-T187 VanDerWaalsContact C-N 3.32Å; S185-E219 PolarHBondContact OG-OE1 2.94Å; S185-E219 PolarHBondContact OG-OE2 2.86Å; S185-Y249 VanDerWaalsContact CA-OH 3.25Å; S185-Y249 WeakPolarHBondContact CA-OH 3.35Å; S185-Y249 PolarHBondContact N-OH 2.94Å |
| 186 | N | 89.9 | Confident | 95.7 | Very high | 127 Ų | 127 | 19.3 Ų | 19.3 | 68% | 0.679 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | 4.7 | 179.6 | 68.1 | -20.3 | 0 | 0 | 0 | 113.8 | E184 | E184-N186 WeakPolarHBondContact CB-OD1 3.38Å; E184-N186 PolarHBondContact O-N 3.18Å |
| 187 | T | 94.9 | Very high | 95.4 | Very high | 17 Ų | 17 | 19.3 Ų | 19.3 | 10% | 0.104 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -78.9 | 142.6 | 178 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | E184 S185 A189 I190 E191 | E184-T187 HydrophobicContact CB-CG2 4.28Å; E184-T187 WeakPolarHBondContact O-CB 3.44Å; E184-T187 VanDerWaalsContact O-CG2 3.31Å; E184-T187 WeakPolarHBondContact O-CG2 3.37Å; E184-T187 PolarHBondContact O-N 3.41Å; E184-T187 VanDerWaalsContact O-N 3.08Å; E184-T187 PolarHBondContact O-OG1 2.91Å; S185-T187 VanDerWaalsContact C-N 3.32Å; T187-A189 PolarHBondContact O-N 2.64Å; T187-A189 VanDerWaalsContact O-N 3.13Å; T187-I190 PolarHBondContact O-N 2.95Å; T187-I190 WeakPolarHBondContact OG1-CG1 3.43Å; T187-I190 PolarHBondContact OG1-N 3.41Å; T187-E191 PolarHBondContact O-N 2.86Å; T187-E191 VanDerWaalsContact O-N 3.1Å |
| 188 | S | 96.2 | Very high | 94.9 | Very high | 22 Ų | 22 | 21.7 Ų | 21.7 | 15% | 0.154 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.5 | -29.5 | 171.3 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | L192 D331 Q335 | S188-L192 VanDerWaalsContact O-CB 3.26Å; S188-L192 WeakPolarHBondContact O-CB 3.4Å; S188-L192 PolarHBondContact O-N 3.49Å; S188-D331 WeakPolarHBondContact CB-OD2 3.41Å; S188-D331 PolarHBondContact OG-OD2 2.93Å; S188-Q335 PolarHBondContact OG-NE2 2.67Å |
| 189 | A | 97.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.017 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.2 | -50.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I155 L158 L183 T187 E191 L192 F193 I332 | I155-A189 HydrophobicContact CD1-CB 3.45Å; I155-A189 VanDerWaalsContact CD1-CB 3.45Å; L158-A189 HydrophobicContact CD2-CB 3.6Å; L158-A189 VanDerWaalsContact CD2-O 3.3Å; L158-A189 WeakPolarHBondContact CD2-O 3.28Å; L183-A189 HydrophobicContact CD1-CB 4.02Å; T187-A189 PolarHBondContact O-N 2.64Å; T187-A189 VanDerWaalsContact O-N 3.13Å; A189-E191 VanDerWaalsContact C-N 3.34Å; A189-L192 PolarHBondContact O-N 3.48Å; A189-F193 VanDerWaalsContact O-CB 3.25Å; A189-F193 WeakPolarHBondContact O-CB 3.26Å; A189-F193 PolarHBondContact O-N 2.9Å; A189-I332 HydrophobicContact CB-CD1 3.82Å |
| 190 | I | 97.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.3 | -38.7 | 176.8 | -68.8 | -63.5 | 0 | 0 | 0 | 111.2 | F181 L183 E184 T187 F193 S194 Y249 F251 | F181-I190 HydrophobicContact CB-CD1 4.2Å; F181-I190 HydrophobicContact CD1-CD1 3.89Å; F181-I190 HydrophobicContact CG-CD1 4.28Å; L183-I190 HydrophobicContact CB-CD1 3.99Å; L183-I190 HydrophobicContact CB-CG1 3.85Å; L183-I190 HydrophobicContact CD1-CD1 4.41Å; E184-I190 WeakPolarHBondContact O-CG1 3.42Å; T187-I190 PolarHBondContact O-N 2.95Å; T187-I190 WeakPolarHBondContact OG1-CG1 3.43Å; T187-I190 PolarHBondContact OG1-N 3.41Å; I190-F193 PolarHBondContact O-N 3.38Å; I190-S194 WeakPolarHBondContact O-CB 3.4Å; I190-S194 PolarHBondContact O-N 2.94Å; I190-S194 PolarHBondContact O-OG 2.89Å; I190-Y249 HydrophobicContact CD1-CE2 4.38Å; I190-F251 HydrophobicContact CG2-CZ 4.07Å |
| 191 | E | 96.1 | Very high | 94.4 | Very high | 64 Ų | 64 | 25.1 Ų | 25.1 | 30% | 0.299 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.8 | -45.9 | 177 | -169.3 | -179.8 | 155 | 0 | 0 | 112 | T187 A189 F193 S194 T195 R324 L328 | T187-E191 PolarHBondContact O-N 2.86Å; T187-E191 VanDerWaalsContact O-N 3.1Å; A189-E191 VanDerWaalsContact C-N 3.34Å; E191-F193 VanDerWaalsContact C-N 3.35Å; E191-F193 PolarHBondContact O-N 3.29Å; E191-S194 PolarHBondContact O-N 3.47Å; E191-T195 WeakPolarHBondContact O-CB 3.27Å; E191-T195 PolarHBondContact O-N 3.27Å; E191-T195 PolarHBondContact O-OG1 3.49Å; E191-R324 IonicContact OE1-CZ 2.7Å; E191-R324 IonicContact OE1-NE 3.61Å; E191-R324 PolarHBondContact OE1-NE 3.36Å; E191-R324 IonicContact OE1-NH2 3.49Å; E191-R324 PolarHBondContact OE1-NH2 3.32Å; E191-R324 IonicContact OE2-CZ 3.07Å; E191-R324 IonicContact OE2-NE 2.76Å; E191-R324 IonicContact OE2-NH2 2.71Å; E191-R324 PolarHBondContact OE2-NH2 3.32Å; E191-L328 HydrophobicContact CB-CD1 4.29Å; E191-L328 HydrophobicContact CB-CD2 4.14Å; E191-L328 HydrophobicContact CG-CD1 3.82Å; E191-L328 HydrophobicContact CG-CD2 4.29Å |
| 192 | L | 96.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -46.4 | 175.4 | 179.6 | 65.8 | 0 | 0 | 0 | 110.6 | S188 A189 T195 S196 L325 L328 L329 I332 I414 | S188-L192 VanDerWaalsContact O-CB 3.26Å; S188-L192 WeakPolarHBondContact O-CB 3.4Å; S188-L192 PolarHBondContact O-N 3.49Å; A189-L192 PolarHBondContact O-N 3.48Å; L192-T195 PolarHBondContact O-N 2.91Å; L192-S196 WeakPolarHBondContact CD1-OG 3.41Å; L192-S196 WeakPolarHBondContact O-CB 3.22Å; L192-S196 PolarHBondContact O-N 2.89Å; L192-S196 PolarHBondContact O-OG 3.25Å; L192-L325 HydrophobicContact CD1-CD1 3.55Å; L192-L328 HydrophobicContact CB-CB 4.25Å; L192-L328 HydrophobicContact CD1-CB 4.11Å; L192-L329 HydrophobicContact CD1-CD2 3.88Å; L192-L329 HydrophobicContact CD1-CG 4.1Å; L192-L329 HydrophobicContact CD2-CD2 4.06Å; L192-I332 HydrophobicContact CD2-CB 4.14Å; L192-I332 HydrophobicContact CD2-CG1 3.68Å; L192-I332 HydrophobicContact CD2-CG2 4.29Å; L192-I414 HydrophobicContact CD2-CD1 3.93Å |
| 193 | F | 96.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.4 | -50.9 | 179.2 | 174.4 | -105.3 | 0 | 0 | 0 | 111.4 | L158 V161 M162 I177 F181 A189 I190 E191 L197 L199 F251 | L158-F193 HydrophobicContact CD1-CB 4.15Å; L158-F193 HydrophobicContact CD1-CD1 4.4Å; L158-F193 HydrophobicContact CD1-CD2 3.77Å; L158-F193 HydrophobicContact CD1-CE2 4.27Å; L158-F193 HydrophobicContact CD1-CG 3.85Å; L158-F193 HydrophobicContact CD2-CB 4.02Å; L158-F193 HydrophobicContact CG-CB 4.19Å; L158-F193 HydrophobicContact CG-CD2 4.18Å; L158-F193 HydrophobicContact CG-CG 4.33Å; V161-F193 HydrophobicContact CB-CE2 4.29Å; V161-F193 HydrophobicContact CG1-CE2 3.47Å; V161-F193 VanDerWaalsContact CG1-CE2 3.47Å; V161-F193 HydrophobicContact CG1-CZ 3.77Å; M162-F193 HydrophobicContact CB-CD2 3.97Å; M162-F193 HydrophobicContact CB-CE2 4.3Å; M162-F193 HydrophobicContact CG-CD2 4.39Å; I177-F193 HydrophobicContact CD1-CZ 4.12Å; I177-F193 HydrophobicContact CG2-CZ 4.29Å; F181-F193 HydrophobicContact CE1-CD1 4.15Å; F181-F193 AromaticContact CE1-CE1 3.68Å; F181-F193 HydrophobicContact CE1-CE1 3.68Å; F181-F193 AromaticContact CE1-CZ 3.94Å; F181-F193 HydrophobicContact CE1-CZ 3.94Å; F181-F193 AromaticContact CZ-CE1 3.95Å; F181-F193 HydrophobicContact CZ-CE1 3.95Å; F181-F193 HydrophobicContact CZ-CZ 4.18Å; A189-F193 VanDerWaalsContact O-CB 3.25Å; A189-F193 WeakPolarHBondContact O-CB 3.26Å; A189-F193 PolarHBondContact O-N 2.9Å; I190-F193 PolarHBondContact O-N 3.38Å; E191-F193 VanDerWaalsContact C-N 3.35Å; E191-F193 PolarHBondContact O-N 3.29Å; F193-L197 HydrophobicContact CD2-CD1 4.01Å; F193-L197 HydrophobicContact CE2-CD1 3.48Å; F193-L197 VanDerWaalsContact CE2-CD1 3.48Å; F193-L197 HydrophobicContact CZ-CD1 3.86Å; F193-L197 WeakPolarHBondContact O-CB 3.38Å; F193-L197 PolarHBondContact O-N 2.91Å; F193-L199 HydrophobicContact CD1-CD1 3.93Å; F193-L199 HydrophobicContact CE1-CD1 3.37Å; F193-L199 HydrophobicContact CZ-CD1 3.74Å; F193-F251 HydrophobicContact CD1-CD2 4.42Å; F193-F251 HydrophobicContact CD1-CE2 4.26Å; F193-F251 AromaticContact CE1-CD2 3.79Å; F193-F251 HydrophobicContact CE1-CD2 3.79Å; F193-F251 HydrophobicContact CE1-CE2 4.01Å; F193-F251 HydrophobicContact CE1-CG 4.39Å |
| 194 | S | 94.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 27.3 Ų | 27.3 | 14% | 0.14 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | -178.8 | -57 | 0 | 0 | 0 | 0 | 111.7 | I190 E191 K198 L199 | I190-S194 WeakPolarHBondContact O-CB 3.4Å; I190-S194 PolarHBondContact O-N 2.94Å; I190-S194 PolarHBondContact O-OG 2.89Å; E191-S194 PolarHBondContact O-N 3.47Å; S194-K198 CarbonylContact O-C 3.55Å; S194-K198 WeakPolarHBondContact O-CA 3.39Å; S194-K198 PolarHBondContact O-N 3Å; S194-L199 PolarHBondContact O-N 3.04Å |
| 195 | T | 90.8 | Very high | 93.4 | Very high | 61 Ų | 61 | 29.9 Ų | 29.9 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.9 | -47.2 | 179.8 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | E191 L192 L197 K198 L325 | E191-T195 WeakPolarHBondContact O-CB 3.27Å; E191-T195 PolarHBondContact O-N 3.27Å; E191-T195 PolarHBondContact O-OG1 3.49Å; L192-T195 PolarHBondContact O-N 2.91Å; T195-L197 PolarHBondContact O-N 3.47Å; T195-K198 PolarHBondContact O-N 2.83Å; T195-L325 HydrophobicContact CG2-CD1 4.42Å |
| 196 | S | 89.4 | Confident | 92.6 | Very high | 18 Ų | 18 | 29 Ų | 29 | 13% | 0.126 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.8 | -21.8 | -176.6 | -60.9 | 0 | 0 | 0 | 0 | 113.8 | M162 R166 L192 | M162-S196 WeakPolarHBondContact SD-CB 3.46Å; R166-S196 PolarHBondContact NH1-O 3.18Å; R166-S196 PolarHBondContact NH2-O 3.34Å; L192-S196 WeakPolarHBondContact CD1-OG 3.41Å; L192-S196 WeakPolarHBondContact O-CB 3.22Å; L192-S196 PolarHBondContact O-N 2.89Å; L192-S196 PolarHBondContact O-OG 3.25Å |
| 197 | L | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -111 | 2 | 177.7 | -68.5 | -179 | 0 | 0 | 0 | 113.8 | M162 V165 R166 I177 F193 T195 L199 R253 I259 | M162-L197 HydrophobicContact CG-CD1 4.23Å; M162-L197 HydrophobicContact CG-CD2 4.33Å; M162-L197 HydrophobicContact CG-CG 4.03Å; V165-L197 HydrophobicContact CB-CD1 3.9Å; V165-L197 HydrophobicContact CB-CD2 4.47Å; V165-L197 HydrophobicContact CG1-CD1 3.84Å; V165-L197 HydrophobicContact CG1-CD2 4.23Å; V165-L197 HydrophobicContact CG2-CD1 4.49Å; R166-L197 HydrophobicContact CB-CD2 4.13Å; I177-L197 HydrophobicContact CD1-CD1 4.43Å; F193-L197 HydrophobicContact CD2-CD1 4.01Å; F193-L197 HydrophobicContact CE2-CD1 3.48Å; F193-L197 VanDerWaalsContact CE2-CD1 3.48Å; F193-L197 HydrophobicContact CZ-CD1 3.86Å; F193-L197 WeakPolarHBondContact O-CB 3.38Å; F193-L197 PolarHBondContact O-N 2.91Å; T195-L197 PolarHBondContact O-N 3.47Å; L197-L199 VanDerWaalsContact C-N 3.28Å; L197-L199 HydrophobicContact CB-CD1 3.71Å; L197-L199 HydrophobicContact CB-CD2 4.16Å; L197-L199 HydrophobicContact CB-CG 3.59Å; L197-L199 HydrophobicContact CD1-CD1 3.89Å; L197-L199 HydrophobicContact CG-CD1 4.47Å; L197-L199 PolarHBondContact O-N 2.83Å; L197-R253 VanDerWaalsContact O-CD 3.24Å; L197-R253 WeakPolarHBondContact O-CD 3.45Å; L197-R253 PolarHBondContact O-NE 2.74Å; L197-I259 HydrophobicContact CB-CD1 4.34Å; L197-I259 HydrophobicContact CD2-CD1 3.93Å; L197-I259 WeakPolarHBondContact O-CD1 3.46Å |
| 198 | K | 88.6 | Confident | 89.6 | Confident | 50 Ų | 50 | 30.3 Ų | 30.3 | 22% | 0.217 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 47.7 | -176 | -56.5 | -170.3 | 179.4 | -167.2 | 0 | 113.1 | S194 T195 I258 I259 I430 K431 | S194-K198 CarbonylContact O-C 3.55Å; S194-K198 WeakPolarHBondContact O-CA 3.39Å; S194-K198 PolarHBondContact O-N 3Å; T195-K198 PolarHBondContact O-N 2.83Å; K198-I258 HydrophobicContact CD-CG2 4.28Å; K198-I258 VanDerWaalsContact CE-CG2 3.48Å; K198-I259 HydrophobicContact CD-CG2 4.45Å; K198-I259 HydrophobicContact CG-CG2 4.42Å; K198-I430 WeakPolarHBondContact CE-O 3.05Å; K198-I430 PolarHBondContact NZ-O 3.36Å; K198-K431 WeakPolarHBondContact CD-OXT 3.12Å; K198-K431 VanDerWaalsContact CE-C 3.45Å; K198-K431 WeakPolarHBondContact CE-OXT 3.46Å; K198-K431 PolarHBondContact NZ-O 2.81Å; K198-K431 PolarHBondContact NZ-OXT 2.94Å |
| 199 | L | 94.2 | Very high | 87.8 | Confident | 18 Ų | 18 | 30.2 Ų | 30.2 | 9% | 0.094 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -88 | 139.9 | -177.8 | -60.6 | 171 | 0 | 0 | 0 | 110.3 | I175 I177 F193 S194 L197 F251 R253 | I175-L199 HydrophobicContact CD1-CD2 4.05Å; I177-L199 HydrophobicContact CD1-CD1 3.6Å; I177-L199 HydrophobicContact CD1-CD2 3.66Å; I177-L199 HydrophobicContact CD1-CG 4.29Å; F193-L199 HydrophobicContact CD1-CD1 3.93Å; F193-L199 HydrophobicContact CE1-CD1 3.37Å; F193-L199 HydrophobicContact CZ-CD1 3.74Å; S194-L199 PolarHBondContact O-N 3.04Å; L197-L199 VanDerWaalsContact C-N 3.28Å; L197-L199 HydrophobicContact CB-CD1 3.71Å; L197-L199 HydrophobicContact CB-CD2 4.16Å; L197-L199 HydrophobicContact CB-CG 3.59Å; L197-L199 HydrophobicContact CD1-CD1 3.89Å; L197-L199 HydrophobicContact CG-CD1 4.47Å; L197-L199 PolarHBondContact O-N 2.83Å; L199-F251 HydrophobicContact CB-CB 4.09Å; L199-F251 HydrophobicContact CB-CD1 4.3Å; L199-F251 HydrophobicContact CB-CG 4.46Å; L199-F251 HydrophobicContact CD1-CB 3.98Å; L199-F251 HydrophobicContact CD1-CG 4.28Å; L199-F251 HydrophobicContact CD2-CB 4.48Å; L199-F251 HydrophobicContact CG-CB 4.4Å; L199-R253 HydrophobicContact CD2-CG 4.12Å |
| 200 | S | 95.1 | Very high | 86.1 | Confident | 40 Ų | 40 | 33.8 Ų | 33.8 | 28% | 0.28 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 137.4 | 162.9 | -74 | 0 | 0 | 0 | 0 | 109.6 | N205 F251 Y252 | S200-N205 WeakPolarHBondContact CB-ND2 3.32Å; S200-N205 PolarHBondContact OG-ND2 2.94Å; S200-N205 VanDerWaalsContact OG-ND2 3.15Å; S200-F251 CarbonylContact O-C 3.51Å; S200-F251 VanDerWaalsContact O-CA 3.26Å; S200-F251 WeakPolarHBondContact O-CA 3.3Å; S200-Y252 VanDerWaalsContact CB-CZ 3.44Å; S200-Y252 WeakPolarHBondContact CB-O 2.94Å; S200-Y252 PolarHBondContact N-O 3.11Å; S200-Y252 VanDerWaalsContact O-CD1 3.3Å; S200-Y252 WeakPolarHBondContact O-CD1 3.24Å; S200-Y252 PolarHBondContact O-N 2.88Å |
| 201 | D | 95.9 | Very high | 84.3 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 119.8 | 169.3 | -177.3 | -21.8 | 0 | 0 | 0 | 108.9 | W203 L204 N205 R246 F251 | D201-W203 VanDerWaalsContact C-N 3.25Å; D201-W203 PolarHBondContact O-N 3.1Å; D201-W203 WeakPolarHBondContact OD1-CB 3.29Å; D201-W203 PolarHBondContact OD1-N 3.2Å; D201-L204 HydrophobicContact CB-CB 4.1Å; D201-L204 HydrophobicContact CB-CD1 4.3Å; D201-L204 HydrophobicContact CB-CG 4.25Å; D201-L204 PolarHBondContact O-N 3.01Å; D201-N205 VanDerWaalsContact O-CB 3.27Å; D201-N205 WeakPolarHBondContact O-CB 3.35Å; D201-N205 PolarHBondContact O-N 3.42Å; D201-R246 IonicContact OD1-NH1 3.59Å; D201-R246 IonicContact OD2-CZ 3.83Å; D201-R246 IonicContact OD2-NH1 3.65Å; D201-R246 PolarHBondContact OD2-NH1 2.89Å; D201-R246 IonicContact OD2-NH2 3.95Å; D201-R246 PolarHBondContact OD2-NH2 3.22Å; D201-F251 HydrophobicContact CB-CD1 4.12Å; D201-F251 HydrophobicContact CB-CE1 3.94Å |
| 202 | A | 96 | Very high | 82.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -33.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N206 I250 Y252 C275 A299 F301 | A202-N206 PolarHBondContact O-N 3.32Å; A202-I250 HydrophobicContact CB-CB 3.94Å; A202-I250 HydrophobicContact CB-CG2 4.04Å; A202-I250 WeakPolarHBondContact CB-O 3.44Å; A202-I250 PolarHBondContact N-O 3.32Å; A202-Y252 HydrophobicContact CB-CD1 4.18Å; A202-Y252 HydrophobicContact CB-CE1 4.18Å; A202-C275 HydrophobicContact CB-CB 4.33Å; A202-C275 WeakPolarHBondContact O-CB 3.2Å; A202-A299 HydrophobicContact CB-CB 3.98Å; A202-F301 HydrophobicContact CB-CZ 4.4Å |
| 203 | W | 94.8 | Very high | 81.5 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -51 | 177.8 | -174 | -103.1 | 0 | 0 | 0 | 110.8 | D201 N206 L218 E221 G222 C275 L277 | D201-W203 VanDerWaalsContact C-N 3.25Å; D201-W203 PolarHBondContact O-N 3.1Å; D201-W203 WeakPolarHBondContact OD1-CB 3.29Å; D201-W203 PolarHBondContact OD1-N 3.2Å; W203-N206 WeakPolarHBondContact O-CB 3.35Å; W203-N206 PolarHBondContact O-N 3.06Å; W203-L218 HydrophobicContact CZ2-CD1 4.08Å; W203-L218 PolarHBondContact NE1-O 3.27Å; W203-E221 HydrophobicContact CH2-CG 4.26Å; W203-E221 HydrophobicContact CZ2-CB 4.2Å; W203-E221 HydrophobicContact CZ2-CG 4.12Å; W203-G222 VanDerWaalsContact CZ2-N 3.31Å; W203-C275 HydrophobicContact CE3-CB 4.37Å; W203-L277 HydrophobicContact CE3-CD2 4.45Å; W203-L277 HydrophobicContact CH2-CD2 4.41Å; W203-L277 HydrophobicContact CH2-CG 3.97Å; W203-L277 HydrophobicContact CZ3-CD2 3.96Å; W203-L277 HydrophobicContact CZ3-CG 3.88Å |
| 204 | L | 89.9 | Confident | 80.9 | Confident | 55 Ų | 55 | 51.3 Ų | 51.3 | 29% | 0.288 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -30.8 | -178.5 | -62.8 | -179.3 | 0 | 0 | 0 | 113.2 | D201 N206 L210 L218 E219 | D201-L204 HydrophobicContact CB-CB 4.1Å; D201-L204 HydrophobicContact CB-CD1 4.3Å; D201-L204 HydrophobicContact CB-CG 4.25Å; D201-L204 PolarHBondContact O-N 3.01Å; L204-N206 PolarHBondContact O-N 3.49Å; L204-L210 VanDerWaalsContact O-CD1 3.22Å; L204-L210 WeakPolarHBondContact O-CD1 3.37Å; L204-L218 HydrophobicContact CD2-CD2 4.1Å; L204-E219 WeakPolarHBondContact CD2-OE1 3.03Å |
| 205 | N | 84.8 | Confident | 80.3 | Confident | 63 Ų | 63 | 56 Ų | 56 | 34% | 0.337 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 5.5 | 174.8 | -76.2 | 6.9 | 0 | 0 | 0 | 113.4 | S200 D201 T207 Y252 | S200-N205 WeakPolarHBondContact CB-ND2 3.32Å; S200-N205 PolarHBondContact OG-ND2 2.94Å; S200-N205 VanDerWaalsContact OG-ND2 3.15Å; D201-N205 VanDerWaalsContact O-CB 3.27Å; D201-N205 WeakPolarHBondContact O-CB 3.35Å; D201-N205 PolarHBondContact O-N 3.42Å; N205-T207 VanDerWaalsContact C-N 3.31Å; N205-T207 PolarHBondContact O-N 2.79Å; N205-Y252 PolarHBondContact ND2-OH 3.44Å |
| 206 | N | 73.8 | Confident | 80 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 6% | 0.059 | 32% | 0.318 | C | S | . | . | trans | -69.1 | 87.2 | 177.7 | -172.8 | 2 | 0 | 0 | 0 | 111.3 | A202 W203 L204 V208 A209 L210 C275 | A202-N206 PolarHBondContact O-N 3.32Å; W203-N206 WeakPolarHBondContact O-CB 3.35Å; W203-N206 PolarHBondContact O-N 3.06Å; L204-N206 PolarHBondContact O-N 3.49Å; N206-V208 PolarHBondContact O-N 3.22Å; N206-V208 PolarHBondContact OD1-N 2.91Å; N206-A209 HydrophobicContact CB-CB 4.22Å; N206-A209 PolarHBondContact O-N 3.33Å; N206-A209 VanDerWaalsContact O-N 3.09Å; N206-L210 PolarHBondContact O-N 3.23Å; N206-C275 HydrophobicContact CB-CB 4.28Å; N206-C275 PolarHBondContact ND2-O 2.77Å | ||
| 207 | T | 61.5 | Low | 79.9 | Confident | 82 Ų | 82 | 61.6 Ų | 61.6 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.9 | -22.4 | -179.7 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | N205 K211 | N205-T207 VanDerWaalsContact C-N 3.31Å; N205-T207 PolarHBondContact O-N 2.79Å; T207-K211 WeakPolarHBondContact O-CG 3.33Å |
| 208 | V | 60.8 | Low | 79.7 | Confident | 90 Ų | 90 | 61.6 Ų | 61.6 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -75.5 | -42.4 | 177.6 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | N206 | N206-V208 PolarHBondContact O-N 3.22Å; N206-V208 PolarHBondContact OD1-N 2.91Å |
| 209 | A | 59.9 | Low | 79.7 | Confident | 20 Ų | 20 | 61 Ų | 61 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N206 K211 N212 L218 | N206-A209 HydrophobicContact CB-CB 4.22Å; N206-A209 PolarHBondContact O-N 3.33Å; N206-A209 VanDerWaalsContact O-N 3.09Å; A209-K211 PolarHBondContact O-N 3.12Å; A209-K211 VanDerWaalsContact O-N 3.12Å; A209-N212 PolarHBondContact O-N 3.26Å; A209-L218 HydrophobicContact CB-CD1 3.79Å |
| 210 | L | 60.8 | Low | 79.6 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 41% | 0.408 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59 | -25.4 | 179.7 | -77.9 | 173.9 | 0 | 0 | 0 | 114.3 | L204 N206 N212 L218 | L204-L210 VanDerWaalsContact O-CD1 3.22Å; L204-L210 WeakPolarHBondContact O-CD1 3.37Å; N206-L210 PolarHBondContact O-N 3.23Å; L210-N212 PolarHBondContact O-N 3.19Å; L210-L218 HydrophobicContact CD2-CD2 3.65Å; L210-L218 HydrophobicContact CG-CD2 4.24Å |
| 211 | K | 60.5 | Low | 79.3 | Confident | 171 Ų | 171 | 64.9 Ų | 64.9 | 74% | 0.743 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22.4 | -178.9 | -82 | 174.9 | -177.1 | -177.7 | 0 | 113.6 | T207 A209 | T207-K211 WeakPolarHBondContact O-CG 3.33Å; A209-K211 PolarHBondContact O-N 3.12Å; A209-K211 VanDerWaalsContact O-N 3.12Å |
| 212 | N | 62.2 | Low | 79.2 | Confident | 142 Ų | 142 | 64.2 Ų | 64.2 | 76% | 0.759 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | -6.7 | -166.8 | -63.2 | -29.8 | 0 | 0 | 0 | 114.3 | A209 L210 | A209-N212 PolarHBondContact O-N 3.26Å; L210-N212 PolarHBondContact O-N 3.19Å |
| 213 | T | 70.4 | Confident | 79.2 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -142.7 | 142.5 | -164 | -50.7 | 0 | 0 | 0 | 0 | 110.7 | D217 | T213-D217 HydrophobicContact CG2-CB 3.27Š|
| 214 | N | 83.1 | Confident | 79.3 | Confident | 85 Ų | 85 | 64.1 Ų | 64.1 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | trans | -72.6 | 164.6 | 173 | 67.7 | 51.9 | 0 | 0 | 0 | 110.8 | T216 D217 L218 | N214-T216 VanDerWaalsContact C-N 3.29Å; N214-T216 PolarHBondContact O-N 3.08Å; N214-T216 WeakPolarHBondContact OD1-CB 3.32Å; N214-T216 PolarHBondContact OD1-N 3.36Å; N214-T216 VanDerWaalsContact OD1-N 3.1Å; N214-D217 PolarHBondContact ND2-OD2 3.13Å; N214-D217 PolarHBondContact O-N 2.92Å; N214-D217 WeakPolarHBondContact OD1-CB 3.36Å; N214-D217 VanDerWaalsContact OD1-CG 3.32Å; N214-D217 PolarHBondContact OD1-N 3.24Å; N214-D217 PolarHBondContact OD1-OD2 2.72Å; N214-L218 WeakPolarHBondContact O-CB 3.44Å; N214-L218 PolarHBondContact O-N 3.48Å | ||
| 215 | I | 82.3 | Confident | 79.7 | Confident | 118 Ų | 118 | 62 Ų | 62 | 61% | 0.605 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.4 | -37.5 | -176.6 | -64.8 | 171.9 | 0 | 0 | 0 | 111.9 | L218 E219 | I215-L218 PolarHBondContact O-N 3.34Å; I215-E219 HydrophobicContact CG2-CG 4.33Å; I215-E219 WeakPolarHBondContact O-CB 3.35Å; I215-E219 WeakPolarHBondContact O-CG 3.46Å; I215-E219 PolarHBondContact O-N 2.89Å |
| 216 | T | 84.2 | Confident | 80.2 | Confident | 110 Ų | 110 | 60 Ų | 60 | 68% | 0.675 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.1 | -46.4 | -179.1 | -52.9 | 0 | 0 | 0 | 0 | 111.9 | N214 L218 E219 S220 | N214-T216 VanDerWaalsContact C-N 3.29Å; N214-T216 PolarHBondContact O-N 3.08Å; N214-T216 WeakPolarHBondContact OD1-CB 3.32Å; N214-T216 PolarHBondContact OD1-N 3.36Å; N214-T216 VanDerWaalsContact OD1-N 3.1Å; T216-L218 VanDerWaalsContact C-N 3.34Å; T216-E219 PolarHBondContact O-N 2.95Å; T216-S220 WeakPolarHBondContact O-CB 3.39Å; T216-S220 PolarHBondContact O-N 2.85Å |
| 217 | D | 86.9 | Confident | 81.3 | Confident | 87 Ų | 87 | 60 Ų | 60 | 47% | 0.465 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.5 | -35.5 | 178.7 | -68.2 | -24.3 | 0 | 0 | 0 | 110.7 | T213 N214 S220 E221 | T213-D217 HydrophobicContact CG2-CB 3.27Å; N214-D217 PolarHBondContact ND2-OD2 3.13Å; N214-D217 PolarHBondContact O-N 2.92Å; N214-D217 WeakPolarHBondContact OD1-CB 3.36Å; N214-D217 VanDerWaalsContact OD1-CG 3.32Å; N214-D217 PolarHBondContact OD1-N 3.24Å; N214-D217 PolarHBondContact OD1-OD2 2.72Å; D217-S220 PolarHBondContact O-N 2.78Å; D217-E221 WeakPolarHBondContact O-CB 3.31Å; D217-E221 PolarHBondContact O-N 3Å |
| 218 | L | 87.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 173.7 | -179.9 | 65.5 | 0 | 0 | 0 | 112.2 | W203 L204 A209 L210 N214 I215 T216 E221 G222 | W203-L218 HydrophobicContact CZ2-CD1 4.08Å; W203-L218 PolarHBondContact NE1-O 3.27Å; L204-L218 HydrophobicContact CD2-CD2 4.1Å; A209-L218 HydrophobicContact CB-CD1 3.79Å; L210-L218 HydrophobicContact CD2-CD2 3.65Å; L210-L218 HydrophobicContact CG-CD2 4.24Å; N214-L218 WeakPolarHBondContact O-CB 3.44Å; N214-L218 PolarHBondContact O-N 3.48Å; I215-L218 PolarHBondContact O-N 3.34Å; T216-L218 VanDerWaalsContact C-N 3.34Å; L218-E221 PolarHBondContact O-N 2.99Å; L218-G222 PolarHBondContact O-N 2.93Å |
| 219 | E | 89.6 | Confident | 84.5 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 174.9 | -77.7 | -73.5 | 172 | 0 | 0 | 111 | S185 L204 I215 T216 E221 G222 C223 R246 | S185-E219 PolarHBondContact OG-OE1 2.94Å; S185-E219 PolarHBondContact OG-OE2 2.86Å; L204-E219 WeakPolarHBondContact CD2-OE1 3.03Å; I215-E219 HydrophobicContact CG2-CG 4.33Å; I215-E219 WeakPolarHBondContact O-CB 3.35Å; I215-E219 WeakPolarHBondContact O-CG 3.46Å; I215-E219 PolarHBondContact O-N 2.89Å; T216-E219 PolarHBondContact O-N 2.95Å; E219-E221 PolarHBondContact O-N 2.96Å; E219-G222 CarbonylContact O-C 3.46Å; E219-G222 WeakPolarHBondContact O-CA 3.43Å; E219-G222 PolarHBondContact O-N 3.05Å; E219-C223 PolarHBondContact O-N 2.87Å; E219-R246 IonicContact OE1-CZ 2.66Å; E219-R246 IonicContact OE1-NE 3.32Å; E219-R246 IonicContact OE1-NH2 3.3Å; E219-R246 PolarHBondContact OE1-NH2 2.98Å; E219-R246 IonicContact OE2-CZ 3.58Å; E219-R246 IonicContact OE2-NE 2.72Å; E219-R246 PolarHBondContact OE2-NE 2.71Å; E219-R246 IonicContact OE2-NH2 3.34Å; E219-R246 PolarHBondContact OE2-NH2 2.76Å |
| 220 | S | 90.6 | Very high | 86.2 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 176.1 | -176 | 0 | 0 | 0 | 0 | 112.4 | T216 D217 G222 C223 N243 | T216-S220 WeakPolarHBondContact O-CB 3.39Å; T216-S220 PolarHBondContact O-N 2.85Å; D217-S220 PolarHBondContact O-N 2.78Å; S220-G222 VanDerWaalsContact C-N 3.26Å; S220-G222 PolarHBondContact O-N 3.17Å; S220-C223 PolarHBondContact O-N 3.07Å; S220-C223 PolarHBondContact O-SG 3.29Å; S220-C223 VanDerWaalsContact O-SG 3.4Å; S220-N243 PolarHBondContact O-ND2 3.49Å; S220-N243 WeakPolarHBondContact OG-CB 3.25Å |
| 221 | E | 90.7 | Very high | 87.9 | Confident | 88 Ų | 88 | 56.3 Ų | 56.3 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65 | -33.3 | 174.4 | -176.3 | 178 | -176.4 | 0 | 0 | 111.8 | W203 D217 L218 E219 C223 R227 L277 | W203-E221 HydrophobicContact CH2-CG 4.26Å; W203-E221 HydrophobicContact CZ2-CB 4.2Å; W203-E221 HydrophobicContact CZ2-CG 4.12Å; D217-E221 WeakPolarHBondContact O-CB 3.31Å; D217-E221 PolarHBondContact O-N 3Å; L218-E221 PolarHBondContact O-N 2.99Å; E219-E221 PolarHBondContact O-N 2.96Å; E221-C223 VanDerWaalsContact C-N 3.32Å; E221-C223 PolarHBondContact O-N 3.38Å; E221-R227 PolarHBondContact O-NH1 2.81Å; E221-L277 WeakPolarHBondContact O-CD1 3.23Å |
| 222 | G | 92.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -1.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | W203 L218 E219 S220 T224 R246 | W203-G222 VanDerWaalsContact CZ2-N 3.31Å; L218-G222 PolarHBondContact O-N 2.93Å; E219-G222 CarbonylContact O-C 3.46Å; E219-G222 WeakPolarHBondContact O-CA 3.43Å; E219-G222 PolarHBondContact O-N 3.05Å; S220-G222 VanDerWaalsContact C-N 3.26Å; S220-G222 PolarHBondContact O-N 3.17Å; G222-T224 WeakPolarHBondContact O-CG2 3.43Å; G222-T224 PolarHBondContact O-N 3.33Å; G222-R246 WeakPolarHBondContact O-CD 3.44Å; G222-R246 VanDerWaalsContact O-CG 3.27Å; G222-R246 WeakPolarHBondContact O-CG 3.18Å |
| 223 | C | 96 | Very high | 91.1 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | trans | -56.1 | 133.9 | 174.6 | -63.7 | 0 | 0 | 0 | 0 | 110.1 | E219 S220 E221 R227 N243 G244 E245 L277 | E219-C223 PolarHBondContact O-N 2.87Å; S220-C223 PolarHBondContact O-N 3.07Å; S220-C223 PolarHBondContact O-SG 3.29Å; S220-C223 VanDerWaalsContact O-SG 3.4Å; E221-C223 VanDerWaalsContact C-N 3.32Å; E221-C223 PolarHBondContact O-N 3.38Å; C223-R227 HydrophobicContact CB-CG 4.12Å; C223-R227 WeakPolarHBondContact O-CD 3.28Å; C223-R227 WeakPolarHBondContact O-CG 3.22Å; C223-R227 PolarHBondContact O-NH1 3.01Å; C223-N243 WeakPolarHBondContact CB-O 3.18Å; C223-G244 VanDerWaalsContact SG-C 3.52Å; C223-G244 PolarHBondContact SG-O 3.44Å; C223-E245 CarbonylContact C-O 3.59Å; C223-E245 WeakPolarHBondContact CA-O 3.38Å; C223-L277 WeakPolarHBondContact O-CD1 3.35Å | ||
| 224 | T | 97.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | trans | -111.3 | -23.9 | -177.2 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | G222 E245 L247 D248 L277 H294 E295 V297 | G222-T224 WeakPolarHBondContact O-CG2 3.43Å; G222-T224 PolarHBondContact O-N 3.33Å; T224-E245 PolarHBondContact N-O 2.93Å; T224-L247 PolarHBondContact OG1-N 2.73Å; T224-L247 VanDerWaalsContact OG1-N 3.1Å; T224-D248 WeakPolarHBondContact CB-OD2 3.21Å; T224-D248 HydrophobicContact CG2-CB 4.06Å; T224-D248 PolarHBondContact OG1-N 3.42Å; T224-D248 VanDerWaalsContact OG1-N 3.16Å; T224-D248 PolarHBondContact OG1-OD2 3.33Å; T224-L277 HydrophobicContact CG2-CD2 3.84Å; T224-H294 CarbonylContact O-C 3.5Å; T224-H294 WeakPolarHBondContact O-CA 3.29Å; T224-E295 PolarHBondContact O-N 3.47Å; T224-V297 HydrophobicContact CG2-CG2 3.6Å | ||
| 225 | C | 97.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -122.3 | 157.3 | 178.1 | -168.9 | 0 | 0 | 0 | 0 | 111.1 | R227 G244 E245 L247 H294 | C225-R227 PolarHBondContact O-N 3.18Å; C225-G244 CarbonylContact O-C 3.59Å; C225-G244 WeakPolarHBondContact O-CA 3.38Å; C225-E245 PolarHBondContact N-O 3.42Å; C225-E245 PolarHBondContact O-N 3.17Å; C225-L247 HydrophobicContact CB-CD1 3.78Å; C225-L247 HydrophobicContact CB-CG 4.34Å; C225-H294 PolarHBondContact SG-NE2 3.24Å |
| 226 | D | 95.9 | Very high | 93.5 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 52.6 | 28.9 | 178.6 | -73.8 | -35.4 | 0 | 0 | 0 | 114.9 | R233 N234 W237 T238 G244 | D226-R233 HydrophobicContact CB-CB 4.37Å; D226-R233 WeakPolarHBondContact OD1-CA 3.4Å; D226-N234 PolarHBondContact OD1-N 3.37Å; D226-W237 HydrophobicContact CB-CB 4.25Å; D226-W237 VanDerWaalsContact OD2-CB 3.28Å; D226-W237 WeakPolarHBondContact OD2-CB 3.49Å; D226-T238 WeakPolarHBondContact O-CB 3.43Å; D226-T238 PolarHBondContact O-OG1 3.1Å; D226-G244 WeakPolarHBondContact O-CA 3.34Å |
| 227 | R | 96 | Very high | 94 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | trans | -65.7 | 143.9 | -178.6 | -64 | 177.3 | 62.9 | 92.8 | 0.8 | 112.4 | E221 C223 C225 D229 N230 R233 N243 E295 | E221-R227 PolarHBondContact O-NH1 2.81Å; C223-R227 HydrophobicContact CB-CG 4.12Å; C223-R227 WeakPolarHBondContact O-CD 3.28Å; C223-R227 WeakPolarHBondContact O-CG 3.22Å; C223-R227 PolarHBondContact O-NH1 3.01Å; C225-R227 PolarHBondContact O-N 3.18Å; R227-D229 WeakPolarHBondContact CB-OD1 3.48Å; R227-D229 IonicContact CZ-OD1 3.54Å; R227-D229 IonicContact NE-OD1 2.91Å; R227-D229 PolarHBondContact NE-OD1 3.13Å; R227-D229 IonicContact NE-OD2 3.77Å; R227-D229 IonicContact NH2-OD1 3.63Å; R227-D229 IonicContact NH2-OD2 3.52Å; R227-D229 PolarHBondContact O-N 2.76Å; R227-D229 VanDerWaalsContact O-N 3.13Å; R227-N230 HydrophobicContact CB-CB 4.21Å; R227-N230 PolarHBondContact O-N 3.22Å; R227-R233 WeakPolarHBondContact O-CD 3.31Å; R227-N243 VanDerWaalsContact CA-O 3.3Å; R227-N243 WeakPolarHBondContact CA-O 3.42Å; R227-E295 HydrophobicContact CG-CG 4.43Å | ||
| 228 | A | 95.8 | Very high | 94.4 | Very high | 44 Ų | 44 | 40.5 Ų | 40.5 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R233 T238 N243 | A228-R233 PolarHBondContact O-NH1 3.42Å; A228-T238 HydrophobicContact CB-CG2 3.89Å; A228-N243 WeakPolarHBondContact CB-OD1 3.47Å; A228-N243 PolarHBondContact N-OD1 2.93Å |
| 229 | D | 94.7 | Very high | 94.8 | Very high | 76 Ų | 76 | 45.7 Ų | 45.7 | 41% | 0.406 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.8 | 176.9 | 60.8 | -14.2 | 0 | 0 | 0 | 114.2 | R227 H290 | R227-D229 WeakPolarHBondContact CB-OD1 3.48Å; R227-D229 IonicContact CZ-OD1 3.54Å; R227-D229 IonicContact NE-OD1 2.91Å; R227-D229 PolarHBondContact NE-OD1 3.13Å; R227-D229 IonicContact NE-OD2 3.77Å; R227-D229 IonicContact NH2-OD1 3.63Å; R227-D229 IonicContact NH2-OD2 3.52Å; R227-D229 PolarHBondContact O-N 2.76Å; R227-D229 VanDerWaalsContact O-N 3.13Å; D229-H290 PolarHBondContact O-CE1 2.6Å; D229-H290 VanDerWaalsContact O-CE1 3.32Å |
| 230 | N | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -88.9 | 125.8 | 176.7 | -166 | -49.9 | 0 | 0 | 0 | 110.6 | R227 Y232 R233 S292 D293 E295 | R227-N230 HydrophobicContact CB-CB 4.21Å; R227-N230 PolarHBondContact O-N 3.22Å; N230-Y232 PolarHBondContact O-N 2.97Å; N230-Y232 WeakPolarHBondContact OD1-CB 3.18Å; N230-Y232 WeakPolarHBondContact OD1-CD2 3.24Å; N230-Y232 PolarHBondContact OD1-N 3.15Å; N230-R233 VanDerWaalsContact O-CD 3.29Å; N230-R233 WeakPolarHBondContact O-CD 3.27Å; N230-R233 WeakPolarHBondContact O-CG 3.19Å; N230-R233 PolarHBondContact O-NH1 3.18Å; N230-S292 PolarHBondContact ND2-O 3.1Å; N230-D293 PolarHBondContact ND2-O 3.1Å; N230-E295 PolarHBondContact ND2-OE1 3.37Å | ||
| 231 | P | 95.4 | Very high | 95 | Very high | 71 Ų | 71 | 49.1 Ų | 49.1 | 46% | 0.461 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -12.5 | -178.3 | 30 | -36.1 | 0 | 0 | 0 | 114.1 | H290 | P231-H290 WeakPolarHBondContact CD-CD2 3.49Å; P231-H290 WeakPolarHBondContact CD-NE2 3.42Å |
| 232 | Y | 95.2 | Very high | 95.1 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -2 | -178.7 | -49.3 | -42.8 | 0 | 0 | 0 | 113.7 | W14 V23 N230 L289 H290 S292 D293 | W14-Y232 HydrophobicContact CE3-CD2 4.29Å; W14-Y232 HydrophobicContact CH2-CD1 4.45Å; W14-Y232 HydrophobicContact CH2-CD2 4.49Å; W14-Y232 HydrophobicContact CH2-CG 4.11Å; W14-Y232 HydrophobicContact CZ3-CD1 4.22Å; W14-Y232 AromaticContact CZ3-CD2 3.67Å; W14-Y232 HydrophobicContact CZ3-CD2 3.67Å; W14-Y232 HydrophobicContact CZ3-CE2 4.12Å; W14-Y232 AromaticContact CZ3-CG 3.72Å; W14-Y232 HydrophobicContact CZ3-CG 3.72Å; V23-Y232 HydrophobicContact CB-CD1 4.5Å; V23-Y232 HydrophobicContact CB-CE1 3.99Å; V23-Y232 HydrophobicContact CG1-CE1 4.08Å; V23-Y232 HydrophobicContact CG2-CD1 4.24Å; V23-Y232 HydrophobicContact CG2-CE1 4.14Å; N230-Y232 PolarHBondContact O-N 2.97Å; N230-Y232 WeakPolarHBondContact OD1-CB 3.18Å; N230-Y232 WeakPolarHBondContact OD1-CD2 3.24Å; N230-Y232 PolarHBondContact OD1-N 3.15Å; Y232-L289 VanDerWaalsContact OH-CD1 3.28Å; Y232-L289 WeakPolarHBondContact OH-CD1 3.15Å; Y232-H290 HydrophobicContact CD2-CB 4.21Å; Y232-H290 HydrophobicContact CE2-CB 3.59Å; Y232-H290 PolarHBondContact OH-N 2.98Å; Y232-S292 WeakPolarHBondContact CD2-O 2.92Å; Y232-D293 HydrophobicContact CD2-CB 4.35Å |
| 233 | R | 95 | Very high | 95 | Very high | 79 Ų | 79 | 49.1 Ų | 49.1 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -56.9 | 150.6 | 179.7 | 73.2 | -167.8 | 179.5 | -104.9 | 4.6 | 113.3 | D226 R227 A228 N230 Q235 T238 | D226-R233 HydrophobicContact CB-CB 4.37Å; D226-R233 WeakPolarHBondContact OD1-CA 3.4Å; R227-R233 WeakPolarHBondContact O-CD 3.31Å; A228-R233 PolarHBondContact O-NH1 3.42Å; N230-R233 VanDerWaalsContact O-CD 3.29Å; N230-R233 WeakPolarHBondContact O-CD 3.27Å; N230-R233 WeakPolarHBondContact O-CG 3.19Å; N230-R233 PolarHBondContact O-NH1 3.18Å; R233-Q235 VanDerWaalsContact NE-OE1 3.12Å; R233-Q235 PolarHBondContact O-N 3.19Å; R233-T238 WeakPolarHBondContact CD-OG1 3.38Å |
| 234 | N | 94.6 | Very high | 94.9 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | trans | -79.3 | 109.5 | 160.7 | -171.2 | -39.6 | 0 | 0 | 0 | 110.1 | D226 L236 W237 T238 | D226-N234 PolarHBondContact OD1-N 3.37Å; N234-L236 PolarHBondContact O-N 2.98Å; N234-L236 VanDerWaalsContact O-N 3.1Å; N234-L236 WeakPolarHBondContact OD1-CB 3.43Å; N234-L236 PolarHBondContact OD1-N 2.5Å; N234-W237 HydrophobicContact CB-CB 4.11Å; N234-W237 HydrophobicContact CB-CG 4.06Å; N234-W237 PolarHBondContact O-N 2.94Å; N234-T238 PolarHBondContact O-N 3.04Å; N234-T238 PolarHBondContact O-OG1 3.27Å | ||
| 235 | Q | 95.2 | Very high | 94.8 | Very high | 91 Ų | 91 | 49 Ų | 49 | 43% | 0.425 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.8 | -32.4 | -176.4 | -169.5 | 63.4 | 50.9 | 0 | 0 | 113.6 | R233 N239 | R233-Q235 VanDerWaalsContact NE-OE1 3.12Å; R233-Q235 PolarHBondContact O-N 3.19Å; Q235-N239 PolarHBondContact NE2-OD1 3.49Å; Q235-N239 VanDerWaalsContact O-CB 3.3Å; Q235-N239 WeakPolarHBondContact O-CB 3.48Å; Q235-N239 PolarHBondContact O-N 2.66Å; Q235-N239 PolarHBondContact O-ND2 2.64Å; Q235-N239 PolarHBondContact O-OD1 3.02Å |
| 236 | L | 95.5 | Very high | 94.8 | Very high | 104 Ų | 104 | 49 Ų | 49 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 177 | 177.7 | 64.2 | 0 | 0 | 0 | 110.8 | L143 N234 N239 T240 | L143-L236 HydrophobicContact CD2-CD1 4.43Å; L143-L236 HydrophobicContact CD2-CD2 4.05Å; L143-L236 HydrophobicContact CD2-CG 3.83Å; N234-L236 PolarHBondContact O-N 2.98Å; N234-L236 VanDerWaalsContact O-N 3.1Å; N234-L236 WeakPolarHBondContact OD1-CB 3.43Å; N234-L236 PolarHBondContact OD1-N 2.5Å; L236-N239 PolarHBondContact O-N 2.87Å; L236-T240 PolarHBondContact O-N 3.44Å; L236-T240 PolarHBondContact O-OG1 3.35Å |
| 237 | W | 95.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 10% | 0.095 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.1 | -47.5 | -179.9 | -70.7 | 57 | 0 | 0 | 0 | 110.6 | R140 L143 D226 N234 N239 T240 Y241 E245 | R140-W237 HydrophobicContact CB-CH2 4.09Å; R140-W237 HydrophobicContact CG-CH2 3.97Å; R140-W237 VanDerWaalsContact CZ-CZ3 3.47Å; R140-W237 WeakPolarHBondContact O-CH2 3.49Å; L143-W237 HydrophobicContact CB-CZ2 4.11Å; L143-W237 HydrophobicContact CD1-CB 4.45Å; L143-W237 HydrophobicContact CD1-CD2 3.7Å; L143-W237 HydrophobicContact CD1-CE3 4.05Å; L143-W237 HydrophobicContact CD1-CG 3.91Å; D226-W237 HydrophobicContact CB-CB 4.25Å; D226-W237 VanDerWaalsContact OD2-CB 3.28Å; D226-W237 WeakPolarHBondContact OD2-CB 3.49Å; N234-W237 HydrophobicContact CB-CB 4.11Å; N234-W237 HydrophobicContact CB-CG 4.06Å; N234-W237 PolarHBondContact O-N 2.94Å; W237-N239 VanDerWaalsContact C-N 3.27Å; W237-N239 PolarHBondContact O-N 2.95Å; W237-T240 PolarHBondContact O-N 3.38Å; W237-T240 VanDerWaalsContact O-N 3.08Å; W237-Y241 HydrophobicContact CE3-CE2 4.32Å; W237-Y241 VanDerWaalsContact O-CD2 3.31Å; W237-Y241 WeakPolarHBondContact O-CD2 3.42Å; W237-Y241 PolarHBondContact O-N 3.4Å; W237-E245 VanDerWaalsContact CZ3-OE2 3.24Å; W237-E245 WeakPolarHBondContact CZ3-OE2 3.24Å |
| 238 | T | 96 | Very high | 95 | Very high | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -53.5 | -44.9 | 173.1 | -50.5 | 0 | 0 | 0 | 0 | 111.8 | D226 A228 R233 N234 T240 Y241 G242 | D226-T238 WeakPolarHBondContact O-CB 3.43Å; D226-T238 PolarHBondContact O-OG1 3.1Å; A228-T238 HydrophobicContact CB-CG2 3.89Å; R233-T238 WeakPolarHBondContact CD-OG1 3.38Å; N234-T238 PolarHBondContact O-N 3.04Å; N234-T238 PolarHBondContact O-OG1 3.27Å; T238-T240 PolarHBondContact O-N 3.47Å; T238-Y241 PolarHBondContact O-N 2.99Å; T238-G242 CarbonylContact O-C 3.35Å; T238-G242 VanDerWaalsContact O-CA 3.29Å; T238-G242 WeakPolarHBondContact O-CA 3.39Å; T238-G242 PolarHBondContact O-N 3.34Å |
| 239 | N | 94.7 | Very high | 95.1 | Very high | 109 Ų | 109 | 45.9 Ų | 45.9 | 58% | 0.583 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66.1 | -37 | 179.7 | -71.9 | -11.4 | 0 | 0 | 0 | 112.6 | Q235 L236 W237 | Q235-N239 PolarHBondContact NE2-OD1 3.49Å; Q235-N239 VanDerWaalsContact O-CB 3.3Å; Q235-N239 WeakPolarHBondContact O-CB 3.48Å; Q235-N239 PolarHBondContact O-N 2.66Å; Q235-N239 PolarHBondContact O-ND2 2.64Å; Q235-N239 PolarHBondContact O-OD1 3.02Å; L236-N239 PolarHBondContact O-N 2.87Å; W237-N239 VanDerWaalsContact C-N 3.27Å; W237-N239 PolarHBondContact O-N 2.95Å |
| 240 | T | 94 | Very high | 95.3 | Very high | 85 Ų | 85 | 42.3 Ų | 42.3 | 52% | 0.521 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.4 | -38.5 | 178.9 | -68 | 0 | 0 | 0 | 0 | 112.4 | L143 L236 W237 T238 | L143-T240 HydrophobicContact CD1-CG2 4.09Å; L143-T240 HydrophobicContact CD2-CG2 4.18Å; L143-T240 WeakPolarHBondContact CD2-OG1 3.44Å; L143-T240 HydrophobicContact CG-CG2 4.37Å; L236-T240 PolarHBondContact O-N 3.44Å; L236-T240 PolarHBondContact O-OG1 3.35Å; W237-T240 PolarHBondContact O-N 3.38Å; W237-T240 VanDerWaalsContact O-N 3.08Å; T238-T240 PolarHBondContact O-N 3.47Å |
| 241 | Y | 91.4 | Very high | 95.4 | Very high | 75 Ų | 75 | 42.4 Ų | 42.4 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -91.9 | -11.6 | -179.5 | -73.8 | -80 | 0 | 0 | 0 | 114.3 | R140 L143 R145 E184 W237 T238 N243 G244 E245 | R140-Y241 PolarHBondContact NH1-OH 2.99Å; R140-Y241 PolarHBondContact NH2-OH 2.88Å; L143-Y241 HydrophobicContact CD1-CD2 4.36Å; L143-Y241 HydrophobicContact CD1-CE2 3.68Å; R145-Y241 PolarHBondContact NH2-OH 3.46Å; E184-Y241 PolarHBondContact OE1-OH 3.28Å; W237-Y241 HydrophobicContact CE3-CE2 4.32Å; W237-Y241 VanDerWaalsContact O-CD2 3.31Å; W237-Y241 WeakPolarHBondContact O-CD2 3.42Å; W237-Y241 PolarHBondContact O-N 3.4Å; T238-Y241 PolarHBondContact O-N 2.99Å; Y241-N243 PolarHBondContact O-N 3.44Å; Y241-N243 VanDerWaalsContact O-N 3.14Å; Y241-G244 VanDerWaalsContact CB-O 3.32Å; Y241-G244 WeakPolarHBondContact CB-O 3.07Å; Y241-E245 HydrophobicContact CD1-CG 3.91Å; Y241-E245 HydrophobicContact CD2-CG 3.67Å; Y241-E245 HydrophobicContact CE1-CG 3.9Å; Y241-E245 VanDerWaalsContact CE2-CD 3.47Å; Y241-E245 HydrophobicContact CE2-CG 3.7Å; Y241-E245 VanDerWaalsContact CE2-OE1 3.26Å; Y241-E245 WeakPolarHBondContact CE2-OE1 3.39Å; Y241-E245 HydrophobicContact CG-CG 3.79Å; Y241-E245 PolarHBondContact OH-OE1 2.91Å |
| 242 | G | 92 | Very high | 95.5 | Very high | 57 Ų | 57 | 39.7 Ų | 39.7 | 59% | 0.588 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 83.4 | -46.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | T238 | T238-G242 CarbonylContact O-C 3.35Å; T238-G242 VanDerWaalsContact O-CA 3.29Å; T238-G242 WeakPolarHBondContact O-CA 3.39Å; T238-G242 PolarHBondContact O-N 3.34Å |
| 243 | N | 91.7 | Very high | 95.5 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 17% | 0.166 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -138.4 | 15.6 | 178.8 | -165.9 | 44.8 | 0 | 0 | 0 | 114.1 | S220 C223 R227 A228 Y241 | S220-N243 PolarHBondContact O-ND2 3.49Å; S220-N243 WeakPolarHBondContact OG-CB 3.25Å; C223-N243 WeakPolarHBondContact CB-O 3.18Å; R227-N243 VanDerWaalsContact CA-O 3.3Å; R227-N243 WeakPolarHBondContact CA-O 3.42Å; A228-N243 WeakPolarHBondContact CB-OD1 3.47Å; A228-N243 PolarHBondContact N-OD1 2.93Å; Y241-N243 PolarHBondContact O-N 3.44Å; Y241-N243 VanDerWaalsContact O-N 3.14Å |
| 244 | G | 94.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | trans | 93.2 | -160.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | C223 C225 D226 Y241 | C223-G244 VanDerWaalsContact SG-C 3.52Å; C223-G244 PolarHBondContact SG-O 3.44Å; C225-G244 CarbonylContact O-C 3.59Å; C225-G244 WeakPolarHBondContact O-CA 3.38Å; D226-G244 WeakPolarHBondContact O-CA 3.34Å; Y241-G244 VanDerWaalsContact CB-O 3.32Å; Y241-G244 WeakPolarHBondContact CB-O 3.07Å | ||
| 245 | E | 94.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 2% | 0.023 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -126.8 | 143.5 | -169.2 | -63.6 | 175.8 | 110.8 | 0 | 0 | 112 | R140 E184 C223 T224 C225 W237 Y241 L247 | R140-E245 IonicContact CZ-OE1 2.62Å; R140-E245 IonicContact NH1-OE1 2.77Å; R140-E245 PolarHBondContact NH1-OE1 2.77Å; R140-E245 IonicContact NH2-OE1 3.15Å; R140-E245 PolarHBondContact NH2-OE1 3.37Å; R140-E245 IonicContact NH2-OE2 3.22Å; E184-E245 HydrophobicContact CG-CB 4.33Å; E184-E245 HydrophobicContact CG-CG 4.33Å; C223-E245 CarbonylContact C-O 3.59Å; C223-E245 WeakPolarHBondContact CA-O 3.38Å; T224-E245 PolarHBondContact N-O 2.93Å; C225-E245 PolarHBondContact N-O 3.42Å; C225-E245 PolarHBondContact O-N 3.17Å; W237-E245 VanDerWaalsContact CZ3-OE2 3.24Å; W237-E245 WeakPolarHBondContact CZ3-OE2 3.24Å; Y241-E245 HydrophobicContact CD1-CG 3.91Å; Y241-E245 HydrophobicContact CD2-CG 3.67Å; Y241-E245 HydrophobicContact CE1-CG 3.9Å; Y241-E245 VanDerWaalsContact CE2-CD 3.47Å; Y241-E245 HydrophobicContact CE2-CG 3.7Å; Y241-E245 VanDerWaalsContact CE2-OE1 3.26Å; Y241-E245 WeakPolarHBondContact CE2-OE1 3.39Å; Y241-E245 HydrophobicContact CG-CG 3.79Å; Y241-E245 PolarHBondContact OH-OE1 2.91Å; E245-L247 HydrophobicContact CB-CD1 4.29Å; E245-L247 HydrophobicContact CB-CD2 3.86Å; E245-L247 HydrophobicContact CB-CG 3.85Å |
| 246 | R | 96.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 3% | 0.034 | 16% | 0.162 | C | C | . | . | trans | -89.5 | 104 | 169.5 | -173.2 | 163.4 | 74.4 | 95.1 | -11.3 | 109.1 | D201 E219 G222 Y249 | D201-R246 IonicContact OD1-NH1 3.59Å; D201-R246 IonicContact OD2-CZ 3.83Å; D201-R246 IonicContact OD2-NH1 3.65Å; D201-R246 PolarHBondContact OD2-NH1 2.89Å; D201-R246 IonicContact OD2-NH2 3.95Å; D201-R246 PolarHBondContact OD2-NH2 3.22Å; E219-R246 IonicContact OE1-CZ 2.66Å; E219-R246 IonicContact OE1-NE 3.32Å; E219-R246 IonicContact OE1-NH2 3.3Å; E219-R246 PolarHBondContact OE1-NH2 2.98Å; E219-R246 IonicContact OE2-CZ 3.58Å; E219-R246 IonicContact OE2-NE 2.72Å; E219-R246 PolarHBondContact OE2-NE 2.71Å; E219-R246 IonicContact OE2-NH2 3.34Å; E219-R246 PolarHBondContact OE2-NH2 2.76Å; G222-R246 WeakPolarHBondContact O-CD 3.44Å; G222-R246 VanDerWaalsContact O-CG 3.27Å; G222-R246 WeakPolarHBondContact O-CG 3.18Å; R246-Y249 HydrophobicContact CG-CE1 4.42Å; R246-Y249 PolarHBondContact O-OH 3.31Å | ||
| 247 | L | 97.9 | Very high | 93.1 | Very high | 9 Ų | 9 | 24.2 Ų | 24.2 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | trans | -116.9 | -21.3 | -174.8 | -57.4 | -177 | 0 | 0 | 0 | 112.7 | F181 E184 T224 C225 E245 Y249 | F181-L247 PolarHBondContact N-O 2.97Å; E184-L247 HydrophobicContact CG-CD2 4.03Å; T224-L247 PolarHBondContact OG1-N 2.73Å; T224-L247 VanDerWaalsContact OG1-N 3.1Å; C225-L247 HydrophobicContact CB-CD1 3.78Å; C225-L247 HydrophobicContact CB-CG 4.34Å; E245-L247 HydrophobicContact CB-CD1 4.29Å; E245-L247 HydrophobicContact CB-CD2 3.86Å; E245-L247 HydrophobicContact CB-CG 3.85Å; L247-Y249 VanDerWaalsContact C-CE2 3.45Å; L247-Y249 VanDerWaalsContact O-CD2 3.23Å; L247-Y249 WeakPolarHBondContact O-CD2 3.41Å; L247-Y249 WeakPolarHBondContact O-CE2 3.32Å | ||
| 248 | D | 98.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.9 | 179.5 | -54.3 | -98.6 | 0 | 0 | 0 | 110.7 | G179 T224 H294 V297 | G179-D248 WeakPolarHBondContact O-CA 3.28Å; T224-D248 WeakPolarHBondContact CB-OD2 3.21Å; T224-D248 HydrophobicContact CG2-CB 4.06Å; T224-D248 PolarHBondContact OG1-N 3.42Å; T224-D248 VanDerWaalsContact OG1-N 3.16Å; T224-D248 PolarHBondContact OG1-OD2 3.33Å; D248-H294 IonicContact OD1-ND1 2.64Å; D248-H294 IonicContact OD2-CE1 3.48Å; D248-H294 IonicContact OD2-CG 2.66Å; D248-H294 IonicContact OD2-ND1 2.75Å; D248-H294 PolarHBondContact OD2-ND1 2.77Å; D248-V297 HydrophobicContact CB-CG2 3.81Å |
| 249 | Y | 98.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 151.3 | -173.2 | -60.5 | -98.3 | 0 | 0 | 0 | 112 | T178 G179 F181 L183 S185 I190 R246 L247 F251 | T178-Y249 VanDerWaalsContact CA-O 3.24Å; T178-Y249 WeakPolarHBondContact CA-O 3.42Å; G179-Y249 PolarHBondContact N-O 3.49Å; G179-Y249 PolarHBondContact O-N 2.96Å; G179-Y249 VanDerWaalsContact O-N 3.13Å; F181-Y249 HydrophobicContact CB-CD2 3.89Å; F181-Y249 HydrophobicContact CB-CE2 3.95Å; F181-Y249 AromaticContact CD2-CD2 3.69Å; F181-Y249 HydrophobicContact CD2-CD2 3.69Å; F181-Y249 HydrophobicContact CD2-CG 4.34Å; F181-Y249 HydrophobicContact CE2-CD2 4.49Å; F181-Y249 AromaticContact CG-CD2 3.94Å; F181-Y249 HydrophobicContact CG-CD2 3.94Å; F181-Y249 HydrophobicContact CG-CE2 4.43Å; L183-Y249 VanDerWaalsContact O-CE2 3.31Å; L183-Y249 WeakPolarHBondContact O-CE2 3.5Å; L183-Y249 PolarHBondContact O-OH 2.77Å; S185-Y249 VanDerWaalsContact CA-OH 3.25Å; S185-Y249 WeakPolarHBondContact CA-OH 3.35Å; S185-Y249 PolarHBondContact N-OH 2.94Å; I190-Y249 HydrophobicContact CD1-CE2 4.38Å; R246-Y249 HydrophobicContact CG-CE1 4.42Å; R246-Y249 PolarHBondContact O-OH 3.31Å; L247-Y249 VanDerWaalsContact C-CE2 3.45Å; L247-Y249 VanDerWaalsContact O-CD2 3.23Å; L247-Y249 WeakPolarHBondContact O-CD2 3.41Å; L247-Y249 WeakPolarHBondContact O-CE2 3.32Å; Y249-F251 HydrophobicContact CD1-CE1 4Å; Y249-F251 AromaticContact CD1-CE2 3.8Å; Y249-F251 HydrophobicContact CD1-CE2 3.8Å; Y249-F251 AromaticContact CD1-CZ 3.31Å; Y249-F251 HydrophobicContact CD1-CZ 3.31Å; Y249-F251 HydrophobicContact CD2-CE2 4.21Å; Y249-F251 HydrophobicContact CD2-CZ 4.43Å; Y249-F251 AromaticContact CE1-CZ 3.98Å; Y249-F251 HydrophobicContact CE1-CZ 3.98Å; Y249-F251 HydrophobicContact CG-CD2 4.41Å; Y249-F251 AromaticContact CG-CE2 3.53Å; Y249-F251 HydrophobicContact CG-CE2 3.53Å; Y249-F251 AromaticContact CG-CZ 3.59Å; Y249-F251 HydrophobicContact CG-CZ 3.59Å |
| 250 | I | 98.7 | Very high | 89 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 100.8 | 158.3 | -61.5 | -179 | 0 | 0 | 0 | 107 | V8 T10 I176 T178 A202 V297 A299 F301 | V8-I250 HydrophobicContact CG1-CD1 4.49Å; T10-I250 HydrophobicContact CG2-CD1 4.27Å; T10-I250 HydrophobicContact CG2-CG1 3.74Å; I176-I250 HydrophobicContact CG2-CG2 3.92Å; T178-I250 HydrophobicContact CG2-CB 4.48Å; T178-I250 HydrophobicContact CG2-CG1 4.04Å; T178-I250 HydrophobicContact CG2-CG2 4.26Å; A202-I250 HydrophobicContact CB-CB 3.94Å; A202-I250 HydrophobicContact CB-CG2 4.04Å; A202-I250 WeakPolarHBondContact CB-O 3.44Å; A202-I250 PolarHBondContact N-O 3.32Å; I250-V297 HydrophobicContact CD1-CG1 4.1Å; I250-V297 WeakPolarHBondContact CD1-O 3.22Å; I250-V297 HydrophobicContact CG1-CB 4.45Å; I250-V297 HydrophobicContact CG1-CG1 4.01Å; I250-A299 HydrophobicContact CD1-CB 3.85Å; I250-A299 HydrophobicContact CG2-CB 4.32Å; I250-F301 HydrophobicContact CG2-CE2 4.13Å; I250-F301 HydrophobicContact CG2-CZ 3.76Å |
| 251 | F | 98.5 | Very high | 87.6 | Confident | 1 Ų | 1 | 18.1 Ų | 18.1 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 147.7 | 169.8 | -64.6 | -67 | 0 | 0 | 0 | 110.4 | I176 I177 F181 I190 F193 L199 S200 D201 Y249 | I176-F251 CarbonylContact C-O 3.59Å; I176-F251 WeakPolarHBondContact CA-O 2.91Å; I177-F251 HydrophobicContact CB-CB 4.27Å; I177-F251 PolarHBondContact N-O 3Å; I177-F251 PolarHBondContact O-N 3.41Å; F181-F251 HydrophobicContact CD2-CE2 4.47Å; F181-F251 HydrophobicContact CE1-CD2 4.46Å; F181-F251 HydrophobicContact CE1-CE2 4.12Å; F181-F251 HydrophobicContact CE2-CD2 4.13Å; F181-F251 HydrophobicContact CE2-CE2 4.04Å; F181-F251 AromaticContact CZ-CD2 3.85Å; F181-F251 HydrophobicContact CZ-CD2 3.85Å; F181-F251 AromaticContact CZ-CE2 3.85Å; F181-F251 HydrophobicContact CZ-CE2 3.85Å; I190-F251 HydrophobicContact CG2-CZ 4.07Å; F193-F251 HydrophobicContact CD1-CD2 4.42Å; F193-F251 HydrophobicContact CD1-CE2 4.26Å; F193-F251 AromaticContact CE1-CD2 3.79Å; F193-F251 HydrophobicContact CE1-CD2 3.79Å; F193-F251 HydrophobicContact CE1-CE2 4.01Å; F193-F251 HydrophobicContact CE1-CG 4.39Å; L199-F251 HydrophobicContact CB-CB 4.09Å; L199-F251 HydrophobicContact CB-CD1 4.3Å; L199-F251 HydrophobicContact CB-CG 4.46Å; L199-F251 HydrophobicContact CD1-CB 3.98Å; L199-F251 HydrophobicContact CD1-CG 4.28Å; L199-F251 HydrophobicContact CD2-CB 4.48Å; L199-F251 HydrophobicContact CG-CB 4.4Å; S200-F251 CarbonylContact O-C 3.51Å; S200-F251 VanDerWaalsContact O-CA 3.26Å; S200-F251 WeakPolarHBondContact O-CA 3.3Å; D201-F251 HydrophobicContact CB-CD1 4.12Å; D201-F251 HydrophobicContact CB-CE1 3.94Å; Y249-F251 HydrophobicContact CD1-CE1 4Å; Y249-F251 AromaticContact CD1-CE2 3.8Å; Y249-F251 HydrophobicContact CD1-CE2 3.8Å; Y249-F251 AromaticContact CD1-CZ 3.31Å; Y249-F251 HydrophobicContact CD1-CZ 3.31Å; Y249-F251 HydrophobicContact CD2-CE2 4.21Å; Y249-F251 HydrophobicContact CD2-CZ 4.43Å; Y249-F251 AromaticContact CE1-CZ 3.98Å; Y249-F251 HydrophobicContact CE1-CZ 3.98Å; Y249-F251 HydrophobicContact CG-CD2 4.41Å; Y249-F251 AromaticContact CG-CE2 3.53Å; Y249-F251 HydrophobicContact CG-CE2 3.53Å; Y249-F251 AromaticContact CG-CZ 3.59Å; Y249-F251 HydrophobicContact CG-CZ 3.59Å |
| 252 | Y | 97.7 | Very high | 86.2 | Confident | 14 Ų | 14 | 18.5 Ų | 18.5 | 6% | 0.055 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 159.6 | 179.9 | 72 | -79.2 | 0 | 0 | 0 | 112.7 | I175 S200 A202 N205 L270 C272 F301 | I175-Y252 VanDerWaalsContact O-CA 3.31Å; I175-Y252 WeakPolarHBondContact O-CA 3.28Å; S200-Y252 VanDerWaalsContact CB-CZ 3.44Å; S200-Y252 WeakPolarHBondContact CB-O 2.94Å; S200-Y252 PolarHBondContact N-O 3.11Å; S200-Y252 VanDerWaalsContact O-CD1 3.3Å; S200-Y252 WeakPolarHBondContact O-CD1 3.24Å; S200-Y252 PolarHBondContact O-N 2.88Å; A202-Y252 HydrophobicContact CB-CD1 4.18Å; A202-Y252 HydrophobicContact CB-CE1 4.18Å; N205-Y252 PolarHBondContact ND2-OH 3.44Å; Y252-L270 HydrophobicContact CD2-CD2 3.72Å; Y252-L270 HydrophobicContact CD2-CG 4.01Å; Y252-L270 HydrophobicContact CG-CD2 4.23Å; Y252-C272 HydrophobicContact CD1-CB 4.48Å; Y252-C272 HydrophobicContact CE1-CB 3.61Å; Y252-C272 HydrophobicContact CE2-CB 4.16Å; Y252-C272 VanDerWaalsContact CZ-CB 3.41Å; Y252-C272 WeakPolarHBondContact OH-CB 3.16Å; Y252-C272 PolarHBondContact OH-N 3.45Å; Y252-F301 AromaticContact CD1-CE1 3.71Å; Y252-F301 HydrophobicContact CD1-CE1 3.71Å; Y252-F301 HydrophobicContact CD1-CZ 4.19Å; Y252-F301 HydrophobicContact CD2-CD1 4.37Å; Y252-F301 AromaticContact CD2-CE1 3.83Å; Y252-F301 HydrophobicContact CD2-CE1 3.83Å; Y252-F301 HydrophobicContact CE1-CE1 4.14Å; Y252-F301 HydrophobicContact CE2-CE1 4.24Å; Y252-F301 HydrophobicContact CG-CD1 4.48Å; Y252-F301 AromaticContact CG-CE1 3.54Å; Y252-F301 HydrophobicContact CG-CE1 3.54Å; Y252-F301 HydrophobicContact CG-CZ 4.2Å |
| 253 | R | 93.7 | Very high | 85 | Confident | 12 Ų | 12 | 25.2 Ų | 25.2 | 5% | 0.045 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 162.7 | 162.8 | 62.7 | 172.2 | 177.3 | 87.3 | -4.2 | 111.5 | S169 A174 I175 L197 L199 D260 | S169-R253 PolarHBondContact OG-NH2 2.93Å; S169-R253 VanDerWaalsContact OG-NH2 3.09Å; A174-R253 WeakPolarHBondContact CA-O 3.48Å; I175-R253 HydrophobicContact CD1-CG 3.79Å; I175-R253 HydrophobicContact CG1-CG 3.46Å; I175-R253 VanDerWaalsContact CG1-CG 3.46Å; I175-R253 PolarHBondContact N-O 3.25Å; I175-R253 PolarHBondContact O-N 2.88Å; I175-R253 VanDerWaalsContact O-N 3.09Å; L197-R253 VanDerWaalsContact O-CD 3.24Å; L197-R253 WeakPolarHBondContact O-CD 3.45Å; L197-R253 PolarHBondContact O-NE 2.74Å; L199-R253 HydrophobicContact CD2-CG 4.12Å; R253-D260 IonicContact CZ-OD1 3.69Å; R253-D260 IonicContact CZ-OD2 3.43Å; R253-D260 VanDerWaalsContact CZ-OD2 3.29Å; R253-D260 IonicContact NH1-OD1 3.68Å; R253-D260 IonicContact NH1-OD2 3.67Å; R253-D260 PolarHBondContact NH1-OD2 2.8Å; R253-D260 IonicContact NH2-OD1 2.77Å; R253-D260 PolarHBondContact NH2-OD1 2.65Å; R253-D260 IonicContact NH2-OD2 3.85Å; R253-D260 PolarHBondContact NH2-OD2 3.1Å |
| 254 | S | 92.8 | Very high | 84.2 | Confident | 35 Ų | 35 | 26.8 Ų | 26.8 | 25% | 0.245 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 151.1 | 166.7 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | L270 | S254-L270 PolarHBondContact OG-N 3.05Å |
| 255 | G | 85 | Confident | 83.5 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -124.3 | 165.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S172 D173 S266 | S172-G255 CarbonylContact O-C 3.55Å; S172-G255 WeakPolarHBondContact O-CA 3.46Å; D173-G255 WeakPolarHBondContact O-CA 3.24Å; D173-G255 PolarHBondContact O-N 3.39Å; G255-S266 WeakPolarHBondContact O-CB 3.43Å; G255-S266 PolarHBondContact O-OG 3.3Å |
| 256 | P | 82.4 | Confident | 83 | Confident | 11 Ų | 11 | 28 Ų | 28 | 7% | 0.071 | 14% | 0.138 | C | C | . | . | S | Bend | cis | -63.6 | 150.6 | -28.1 | 22.7 | -29.3 | 0 | 0 | 0 | 111.7 | D260 I264 | P256-D260 WeakPolarHBondContact CA-OD2 3.44Å; P256-D260 HydrophobicContact CB-CB 4.09Å; P256-I264 HydrophobicContact CB-CB 4.43Å; P256-I264 HydrophobicContact CB-CG2 4.4Å; P256-I264 HydrophobicContact CG-CB 3.81Å; P256-I264 HydrophobicContact CG-CG2 3.36Å |
| 257 | S | 71.8 | Confident | 82.6 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 13% | 0.133 | 16% | 0.156 | C | C | . | . | trans | -102.4 | 170.3 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | I259 D260 S261 | S257-I259 PolarHBondContact O-N 2.96Å; S257-I259 VanDerWaalsContact O-N 3.12Å; S257-D260 PolarHBondContact N-OD2 2.76Å; S257-D260 WeakPolarHBondContact O-CA 3.47Å; S257-D260 VanDerWaalsContact O-CB 3.3Å; S257-D260 WeakPolarHBondContact O-CB 3.39Å; S257-D260 PolarHBondContact O-N 2.95Å; S257-S261 PolarHBondContact O-N 2.85Å; S257-S261 VanDerWaalsContact O-N 3.13Å | ||
| 258 | I | 65.4 | Low | 82.3 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.056 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -30.2 | 176.1 | -159.5 | 155.1 | 0 | 0 | 0 | 113.2 | K198 D260 F262 P312 I430 | K198-I258 HydrophobicContact CD-CG2 4.28Å; K198-I258 VanDerWaalsContact CE-CG2 3.48Å; I258-D260 PolarHBondContact O-N 3.43Å; I258-F262 HydrophobicContact CD1-CD2 3.41Å; I258-F262 VanDerWaalsContact CD1-CD2 3.41Å; I258-F262 HydrophobicContact CD1-CE2 3.51Å; I258-F262 HydrophobicContact CG1-CD2 3.53Å; I258-F262 HydrophobicContact CG1-CE2 4.17Å; I258-F262 HydrophobicContact CG1-CG 4.45Å; I258-P312 HydrophobicContact CB-CB 3.83Å; I258-P312 HydrophobicContact CB-CG 4.45Å; I258-P312 HydrophobicContact CD1-CB 4.33Å; I258-P312 HydrophobicContact CG1-CB 4.33Å; I258-I430 HydrophobicContact CD1-CB 3.65Å; I258-I430 HydrophobicContact CD1-CD1 4.14Å; I258-I430 HydrophobicContact CD1-CG1 4.45Å; I258-I430 HydrophobicContact CD1-CG2 3.44Å; I258-I430 VanDerWaalsContact CD1-CG2 3.44Å |
| 259 | I | 67.3 | Low | 82.1 | Confident | 32 Ų | 32 | 37.6 Ų | 37.6 | 16% | 0.164 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -20.4 | 178.5 | 66.4 | 175.4 | 0 | 0 | 0 | 112.1 | L197 K198 S257 | L197-I259 HydrophobicContact CB-CD1 4.34Å; L197-I259 HydrophobicContact CD2-CD1 3.93Å; L197-I259 WeakPolarHBondContact O-CD1 3.46Å; K198-I259 HydrophobicContact CD-CG2 4.45Å; K198-I259 HydrophobicContact CG-CG2 4.42Å; S257-I259 PolarHBondContact O-N 2.96Å; S257-I259 VanDerWaalsContact O-N 3.12Å |
| 260 | D | 65.7 | Low | 81.9 | Confident | 19 Ų | 19 | 37.9 Ų | 37.9 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -44.2 | -178 | -55.9 | -30.7 | 0 | 0 | 0 | 111.3 | S169 T170 R253 P256 S257 I258 | S169-D260 PolarHBondContact OG-OD1 2.82Å; T170-D260 HydrophobicContact CG2-CB 4.05Å; T170-D260 WeakPolarHBondContact CG2-O 3.26Å; T170-D260 PolarHBondContact OG1-O 3.42Å; R253-D260 IonicContact CZ-OD1 3.69Å; R253-D260 IonicContact CZ-OD2 3.43Å; R253-D260 VanDerWaalsContact CZ-OD2 3.29Å; R253-D260 IonicContact NH1-OD1 3.68Å; R253-D260 IonicContact NH1-OD2 3.67Å; R253-D260 PolarHBondContact NH1-OD2 2.8Å; R253-D260 IonicContact NH2-OD1 2.77Å; R253-D260 PolarHBondContact NH2-OD1 2.65Å; R253-D260 IonicContact NH2-OD2 3.85Å; R253-D260 PolarHBondContact NH2-OD2 3.1Å; P256-D260 WeakPolarHBondContact CA-OD2 3.44Å; P256-D260 HydrophobicContact CB-CB 4.09Å; S257-D260 PolarHBondContact N-OD2 2.76Å; S257-D260 WeakPolarHBondContact O-CA 3.47Å; S257-D260 VanDerWaalsContact O-CB 3.3Å; S257-D260 WeakPolarHBondContact O-CB 3.39Å; S257-D260 PolarHBondContact O-N 2.95Å; I258-D260 PolarHBondContact O-N 3.43Å |
| 261 | S | 64.5 | Low | 81.7 | Confident | 33 Ų | 33 | 40.7 Ų | 40.7 | 23% | 0.231 | 20% | 0.196 | C | C | . | . | trans | -171.3 | 124.6 | 170.5 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | S257 Y263 I264 | S257-S261 PolarHBondContact O-N 2.85Å; S257-S261 VanDerWaalsContact O-N 3.13Å; S261-Y263 PolarHBondContact O-N 3.27Å; S261-Y263 VanDerWaalsContact O-N 3.16Å; S261-I264 VanDerWaalsContact CB-CD1 3.45Å; S261-I264 PolarHBondContact O-N 3.19Å; S261-I264 WeakPolarHBondContact OG-CG1 3.09Å | ||
| 262 | F | 62.8 | Low | 81.6 | Confident | 83 Ų | 83 | 41 Ų | 41 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.8 | 176.9 | -167.6 | -91.9 | 0 | 0 | 0 | 113.4 | I258 I430 | I258-F262 HydrophobicContact CD1-CD2 3.41Å; I258-F262 VanDerWaalsContact CD1-CD2 3.41Å; I258-F262 HydrophobicContact CD1-CE2 3.51Å; I258-F262 HydrophobicContact CG1-CD2 3.53Å; I258-F262 HydrophobicContact CG1-CE2 4.17Å; I258-F262 HydrophobicContact CG1-CG 4.45Å; F262-I430 HydrophobicContact CE2-CD1 3.99Å |
| 263 | Y | 67.3 | Low | 81.4 | Confident | 197 Ų | 197 | 42.7 Ų | 42.7 | 77% | 0.773 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -12.5 | -172.5 | -60 | -73.5 | 0 | 0 | 0 | 114.2 | S261 P265 | S261-Y263 PolarHBondContact O-N 3.27Å; S261-Y263 VanDerWaalsContact O-N 3.16Å; Y263-P265 WeakPolarHBondContact O-CD 3.25Å |
| 264 | I | 73.7 | Confident | 81.5 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 33% | 0.328 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -92.6 | 114.9 | -177.6 | -53 | 172 | 0 | 0 | 0 | 107.9 | T170 P256 S261 | T170-I264 HydrophobicContact CG2-CD1 3.91Å; P256-I264 HydrophobicContact CB-CB 4.43Å; P256-I264 HydrophobicContact CB-CG2 4.4Å; P256-I264 HydrophobicContact CG-CB 3.81Å; P256-I264 HydrophobicContact CG-CG2 3.36Å; S261-I264 VanDerWaalsContact CB-CD1 3.45Å; S261-I264 PolarHBondContact O-N 3.19Å; S261-I264 WeakPolarHBondContact OG-CG1 3.09Å |
| 265 | P | 79.6 | Confident | 81.6 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | trans | -71.5 | 150.5 | 176.9 | 32.2 | -34.7 | 0 | 0 | 0 | 110.2 | Y263 Y267 P309 K311 | Y263-P265 WeakPolarHBondContact O-CD 3.25Å; P265-Y267 HydrophobicContact CG-CE2 3.76Å; P265-Y267 WeakPolarHBondContact CG-OH 3.43Å; P265-Y267 WeakPolarHBondContact O-CD2 3.19Å; P265-Y267 VanDerWaalsContact O-CE2 3.22Å; P265-Y267 WeakPolarHBondContact O-CE2 3.48Å; P265-P309 HydrophobicContact CB-CB 3.53Å; P265-P309 HydrophobicContact CG-CB 3.8Å; P265-K311 HydrophobicContact CB-CG 4.29Å | ||
| 266 | S | 84.2 | Confident | 82.1 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128.8 | 171.4 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | G255 A268 P309 V310 | G255-S266 WeakPolarHBondContact O-CB 3.43Å; G255-S266 PolarHBondContact O-OG 3.3Å; S266-A268 PolarHBondContact OG-O 2.98Å; S266-P309 CarbonylContact O-C 3.58Å; S266-P309 VanDerWaalsContact O-CA 3.3Å; S266-P309 WeakPolarHBondContact O-CA 3.33Å; S266-V310 PolarHBondContact N-O 3.41Å; S266-V310 PolarHBondContact O-N 3.05Å |
| 267 | Y | 88 | Confident | 82.7 | Confident | 104 Ų | 104 | 45.8 Ų | 45.8 | 41% | 0.408 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -6.5 | 179.7 | -66.1 | -90 | 0 | 0 | 0 | 112.9 | P265 L306 P309 | P265-Y267 HydrophobicContact CG-CE2 3.76Å; P265-Y267 WeakPolarHBondContact CG-OH 3.43Å; P265-Y267 WeakPolarHBondContact O-CD2 3.19Å; P265-Y267 VanDerWaalsContact O-CE2 3.22Å; P265-Y267 WeakPolarHBondContact O-CE2 3.48Å; Y267-L306 PolarHBondContact O-N 2.75Å; Y267-P309 HydrophobicContact CD1-CB 3.98Å; Y267-P309 HydrophobicContact CD1-CG 3.63Å; Y267-P309 HydrophobicContact CE1-CB 3.84Å; Y267-P309 HydrophobicContact CE1-CG 3.36Å |
| 268 | A | 93.1 | Very high | 83.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 147 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F128 D173 S266 I303 T304 | F128-A268 HydrophobicContact CD1-CB 4.14Å; F128-A268 HydrophobicContact CE1-CB 4.14Å; D173-A268 HydrophobicContact CB-CB 3.82Å; S266-A268 PolarHBondContact OG-O 2.98Å; A268-I303 HydrophobicContact CB-CD1 4.14Å; A268-I303 HydrophobicContact CB-CG1 4.09Å; A268-T304 CarbonylContact C-O 3.59Å; A268-T304 VanDerWaalsContact CA-O 3.29Å; A268-T304 WeakPolarHBondContact CA-O 3.22Å |
| 269 | K | 93.5 | Very high | 85.3 | Confident | 117 Ų | 117 | 45.6 Ų | 45.6 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.8 | 173.5 | 179.8 | 175.6 | -179.9 | 176.3 | 0 | 109.3 | V271 I303 T304 L306 | K269-V271 HydrophobicContact CD-CG2 4.4Å; K269-V271 HydrophobicContact CG-CG2 4.11Å; K269-I303 WeakPolarHBondContact O-CA 3.3Å; K269-T304 PolarHBondContact N-O 2.93Å; K269-T304 PolarHBondContact O-N 2.74Å; K269-L306 HydrophobicContact CB-CD1 4.36Å; K269-L306 HydrophobicContact CB-CD2 3.88Å; K269-L306 HydrophobicContact CB-CG 4.33Å |
| 270 | L | 95.3 | Very high | 86.7 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.2 | 173.1 | -175.1 | 68.7 | 0 | 0 | 0 | 109.9 | F6 A174 I176 Y252 S254 F301 I303 | F6-L270 HydrophobicContact CE1-CD1 3.89Å; F6-L270 HydrophobicContact CZ-CD1 3.74Å; A174-L270 HydrophobicContact CB-CB 3.99Å; A174-L270 HydrophobicContact CB-CD2 3.78Å; A174-L270 HydrophobicContact CB-CG 4.33Å; I176-L270 HydrophobicContact CD1-CD2 4.24Å; I176-L270 HydrophobicContact CG1-CD2 4.02Å; Y252-L270 HydrophobicContact CD2-CD2 3.72Å; Y252-L270 HydrophobicContact CD2-CG 4.01Å; Y252-L270 HydrophobicContact CG-CD2 4.23Å; S254-L270 PolarHBondContact OG-N 3.05Å; L270-F301 HydrophobicContact CD1-CB 3.78Å; L270-F301 HydrophobicContact CD1-CD1 3.91Å; L270-F301 HydrophobicContact CD1-CG 4.08Å; L270-F301 HydrophobicContact CD2-CD1 4.19Å; L270-F301 HydrophobicContact CD2-CE1 4.46Å; L270-F301 HydrophobicContact CG-CD1 4Å; L270-I303 HydrophobicContact CD1-CB 3.97Å; L270-I303 HydrophobicContact CD1-CG1 4.49Å |
| 271 | V | 94.6 | Very high | 88.2 | Confident | 59 Ų | 59 | 53.1 Ų | 53.1 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.1 | 176.7 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | K269 F301 T302 | K269-V271 HydrophobicContact CD-CG2 4.4Å; K269-V271 HydrophobicContact CG-CG2 4.11Å; V271-F301 CarbonylContact O-C 3.55Å; V271-F301 VanDerWaalsContact O-CA 3.28Å; V271-F301 WeakPolarHBondContact O-CA 3.35Å; V271-T302 PolarHBondContact N-O 2.91Å; V271-T302 PolarHBondContact O-N 3.33Å |
| 272 | C | 95.4 | Very high | 89.7 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 120.6 | 166.2 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | Y252 F301 | Y252-C272 HydrophobicContact CD1-CB 4.48Å; Y252-C272 HydrophobicContact CE1-CB 3.61Å; Y252-C272 HydrophobicContact CE2-CB 4.16Å; Y252-C272 VanDerWaalsContact CZ-CB 3.41Å; Y252-C272 WeakPolarHBondContact OH-CB 3.16Å; Y252-C272 PolarHBondContact OH-N 3.45Å; C272-F301 HydrophobicContact CB-CD1 4.08Å; C272-F301 HydrophobicContact CB-CE1 3.77Å |
| 273 | N | 94.3 | Very high | 91.3 | Very high | 51 Ų | 51 | 53.4 Ų | 53.4 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -40.7 | 177.2 | -54.8 | -51.4 | 0 | 0 | 0 | 111.5 | S300 F301 T302 | N273-S300 PolarHBondContact N-O 2.88Å; N273-S300 PolarHBondContact ND2-OG 3.49Å; N273-F301 PolarHBondContact ND2-O 3.39Å; N273-T302 PolarHBondContact ND2-N 3.45Å; N273-T302 PolarHBondContact ND2-OG1 3.06Å; N273-T302 PolarHBondContact OD1-OG1 3.16Å |
| 274 | S | 94.2 | Very high | 92.5 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 26% | 0.259 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 150.3 | -176.6 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | A299 S300 | S274-A299 CarbonylContact O-C 3.34Å; S274-A299 WeakPolarHBondContact O-CA 3.47Å; S274-S300 PolarHBondContact O-N 2.89Å; S274-S300 WeakPolarHBondContact OG-CB 3.48Å |
| 275 | C | 95.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.6 | 173 | -168.8 | 0 | 0 | 0 | 0 | 109.3 | A202 W203 N206 A298 | A202-C275 HydrophobicContact CB-CB 4.33Å; A202-C275 WeakPolarHBondContact O-CB 3.2Å; W203-C275 HydrophobicContact CE3-CB 4.37Å; N206-C275 HydrophobicContact CB-CB 4.28Å; N206-C275 PolarHBondContact ND2-O 2.77Å; C275-A298 CarbonylContact C-O 3.5Å; C275-A298 VanDerWaalsContact CA-O 3.25Å; C275-A298 WeakPolarHBondContact CA-O 3.42Å; C275-A298 PolarHBondContact SG-O 3.44Å |
| 276 | W | 95.1 | Very high | 94 | Very high | 69 Ų | 69 | 50.6 Ų | 50.6 | 26% | 0.261 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 156.9 | 179.8 | 66.4 | 97.5 | 0 | 0 | 0 | 110.7 | K7 F41 D278 A298 | K7-W276 HydrophobicContact CD-CH2 4.1Å; K7-W276 HydrophobicContact CG-CH2 4.32Å; F41-W276 HydrophobicContact CE1-CH2 4.44Å; F41-W276 AromaticContact CE1-CZ2 3.82Å; F41-W276 HydrophobicContact CE1-CZ2 3.82Å; F41-W276 HydrophobicContact CZ-CZ2 4.22Å; W276-D278 PolarHBondContact NE1-OD2 2.77Å; W276-A298 HydrophobicContact CD2-CB 3.8Å; W276-A298 HydrophobicContact CE3-CB 4.34Å; W276-A298 HydrophobicContact CG-CB 4.28Å; W276-A298 HydrophobicContact CH2-CB 4.05Å; W276-A298 HydrophobicContact CZ2-CB 3.49Å; W276-A298 VanDerWaalsContact CZ2-CB 3.49Å; W276-A298 HydrophobicContact CZ3-CB 4.45Å; W276-A298 PolarHBondContact N-O 3.42Å; W276-A298 PolarHBondContact O-N 3.03Å |
| 277 | L | 95.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130.5 | 167.8 | -57.7 | -176.8 | 0 | 0 | 0 | 109.8 | W203 E221 C223 T224 E295 G296 V297 | W203-L277 HydrophobicContact CE3-CD2 4.45Å; W203-L277 HydrophobicContact CH2-CD2 4.41Å; W203-L277 HydrophobicContact CH2-CG 3.97Å; W203-L277 HydrophobicContact CZ3-CD2 3.96Å; W203-L277 HydrophobicContact CZ3-CG 3.88Å; E221-L277 WeakPolarHBondContact O-CD1 3.23Å; C223-L277 WeakPolarHBondContact O-CD1 3.35Å; T224-L277 HydrophobicContact CG2-CD2 3.84Å; L277-E295 HydrophobicContact CB-CB 4.49Å; L277-E295 HydrophobicContact CD1-CB 4.4Å; L277-G296 CarbonylContact C-O 3.59Å; L277-G296 VanDerWaalsContact CA-O 3.24Å; L277-G296 WeakPolarHBondContact CA-O 3.48Å; L277-V297 HydrophobicContact CD2-CG2 3.99Å |
| 278 | D | 96.4 | Very high | 94.7 | Very high | 24 Ų | 24 | 53.1 Ų | 53.1 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -179.6 | 178.9 | -145.6 | -50.1 | 0 | 0 | 0 | 109.9 | L9 K35 F41 W276 R280 G296 A298 | L9-D278 HydrophobicContact CD1-CB 4.17Å; K35-D278 WeakPolarHBondContact CE-OD1 3.27Å; K35-D278 IonicContact NZ-OD1 3.76Å; K35-D278 PolarHBondContact NZ-OD1 2.78Å; F41-D278 WeakPolarHBondContact CZ-OD2 3.47Å; W276-D278 PolarHBondContact NE1-OD2 2.77Å; D278-R280 VanDerWaalsContact C-N 3.35Å; D278-R280 PolarHBondContact O-N 3.46Å; D278-G296 PolarHBondContact N-O 3.42Å; D278-G296 WeakPolarHBondContact O-CA 3.28Å; D278-G296 PolarHBondContact O-N 3.05Å; D278-A298 HydrophobicContact CB-CB 4.15Å |
| 279 | M | 95.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 54.5 | 44 | 173.9 | -62.2 | -68.9 | -176.5 | 0 | 0 | 114.4 | L9 F11 K35 L36 Y291 | L9-M279 HydrophobicContact CD2-CE 3.92Å; L9-M279 HydrophobicContact CD2-CG 4.46Å; F11-M279 HydrophobicContact CD1-CB 4.24Å; F11-M279 HydrophobicContact CD1-CG 4.01Å; F11-M279 HydrophobicContact CD2-CB 4.11Å; F11-M279 HydrophobicContact CE1-CB 3.89Å; F11-M279 HydrophobicContact CE1-CG 4.02Å; F11-M279 HydrophobicContact CE1-SD 4.44Å; F11-M279 HydrophobicContact CE2-CB 3.73Å; F11-M279 HydrophobicContact CE2-CG 4.5Å; F11-M279 HydrophobicContact CG-CB 4.33Å; F11-M279 HydrophobicContact CG-CG 4.27Å; F11-M279 HydrophobicContact CZ-CB 3.61Å; F11-M279 HydrophobicContact CZ-CG 4.25Å; K35-M279 HydrophobicContact CB-CE 4.21Å; K35-M279 HydrophobicContact CB-SD 4.36Å; K35-M279 HydrophobicContact CD-CE 3.87Å; K35-M279 HydrophobicContact CD-SD 3.35Å; K35-M279 WeakPolarHBondContact CD-SD 3.47Å; K35-M279 WeakPolarHBondContact CE-SD 3.13Å; K35-M279 HydrophobicContact CG-CE 3.79Å; K35-M279 HydrophobicContact CG-SD 3.95Å; L36-M279 HydrophobicContact CD2-CE 3.21Å; L36-M279 HydrophobicContact CG-CE 3.58Å; M279-Y291 HydrophobicContact CB-CD2 4.23Å; M279-Y291 HydrophobicContact CB-CG 4.34Å; M279-Y291 WeakPolarHBondContact O-CB 3.45Å; M279-Y291 WeakPolarHBondContact O-CD2 3.39Å; M279-Y291 HydrophobicContact SD-CD1 4.15Å; M279-Y291 HydrophobicContact SD-CD2 4.3Å; M279-Y291 HydrophobicContact SD-CE1 4.34Å; M279-Y291 HydrophobicContact SD-CG 4.13Å |
| 280 | R | 95.7 | Very high | 95 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | trans | -79.8 | -114 | 179.9 | -39.9 | -154.2 | -177.6 | 173.4 | -1.8 | 115.2 | D278 H290 Y291 E295 | D278-R280 VanDerWaalsContact C-N 3.35Å; D278-R280 PolarHBondContact O-N 3.46Å; R280-H290 WeakPolarHBondContact O-CA 2.72Å; R280-Y291 WeakPolarHBondContact O-CD2 3.44Å; R280-Y291 PolarHBondContact O-N 2.89Å; R280-E295 WeakPolarHBondContact CA-OE2 3.46Å; R280-E295 WeakPolarHBondContact CB-OE2 3.36Å; R280-E295 WeakPolarHBondContact CG-OE2 3.37Å | ||
| 281 | K | 96.9 | Very high | 95.1 | Very high | 119 Ų | 119 | 48.8 Ų | 48.8 | 52% | 0.517 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -74.6 | 138 | 169.4 | -169.4 | 174.6 | -176.8 | 176.9 | 0 | 110.5 | P283 Y291 | K281-P283 VanDerWaalsContact O-CD 3.27Å; K281-P283 WeakPolarHBondContact O-CD 3.39Å; K281-Y291 WeakPolarHBondContact O-CE2 3.38Å |
| 282 | V | 97.1 | Very high | 95.3 | Very high | 17 Ų | 17 | 46 Ų | 46 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 117.1 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | A31 G284 D285 L289 Y291 | A31-V282 HydrophobicContact CB-CG1 4.06Å; A31-V282 HydrophobicContact CB-CG2 4.11Å; V282-G284 PolarHBondContact O-N 3.1Å; V282-D285 HydrophobicContact CB-CB 4.18Å; V282-D285 HydrophobicContact CG1-CB 4.22Å; V282-D285 PolarHBondContact O-N 3.11Å; V282-L289 HydrophobicContact CB-CB 4.28Å; V282-L289 WeakPolarHBondContact CB-O 3.46Å; V282-L289 HydrophobicContact CG2-CB 4.2Å; V282-L289 HydrophobicContact CG2-CD2 4.01Å; V282-L289 HydrophobicContact CG2-CG 4.07Å; V282-L289 PolarHBondContact N-O 3.27Å; V282-Y291 HydrophobicContact CB-CE2 4.39Å; V282-Y291 HydrophobicContact CG1-CE1 4.49Å; V282-Y291 HydrophobicContact CG2-CD1 3.79Å; V282-Y291 HydrophobicContact CG2-CD2 3.97Å; V282-Y291 HydrophobicContact CG2-CE1 3.82Å; V282-Y291 HydrophobicContact CG2-CE2 3.98Å; V282-Y291 HydrophobicContact CG2-CG 3.87Å |
| 283 | P | 95 | Very high | 95.4 | Very high | 104 Ų | 104 | 47 Ų | 47 | 68% | 0.675 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 131.9 | -178.2 | -22.8 | 34.5 | 0 | 0 | 0 | 111.5 | K281 D285 Y291 | K281-P283 VanDerWaalsContact O-CD 3.27Å; K281-P283 WeakPolarHBondContact O-CD 3.39Å; P283-D285 VanDerWaalsContact C-N 3.25Å; P283-D285 PolarHBondContact O-N 3.48Å; P283-Y291 WeakPolarHBondContact CD-OH 3.23Å |
| 284 | G | 92.6 | Very high | 95.5 | Very high | 82 Ų | 82 | 45 Ų | 45 | 85% | 0.845 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 1.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | V282 | V282-G284 PolarHBondContact O-N 3.1Š|
| 285 | D | 94.4 | Very high | 95.7 | Very high | 29 Ų | 29 | 43.3 Ų | 43.3 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | trans | -67 | 126 | 173.2 | -179.8 | -86.3 | 0 | 0 | 0 | 110 | R24 V282 P283 H287 G288 L289 | R24-D285 IonicContact CZ-OD2 3.82Å; R24-D285 IonicContact NH1-OD1 3.69Å; R24-D285 PolarHBondContact NH1-OD1 3Å; R24-D285 VanDerWaalsContact NH1-OD1 3.17Å; R24-D285 IonicContact NH1-OD2 3.73Å; R24-D285 PolarHBondContact NH1-OD2 3.3Å; R24-D285 IonicContact NH2-OD2 3.39Å; R24-D285 PolarHBondContact NH2-OD2 2.91Å; V282-D285 HydrophobicContact CB-CB 4.18Å; V282-D285 HydrophobicContact CG1-CB 4.22Å; V282-D285 PolarHBondContact O-N 3.11Å; P283-D285 VanDerWaalsContact C-N 3.25Å; P283-D285 PolarHBondContact O-N 3.48Å; D285-H287 PolarHBondContact O-N 3.47Å; D285-H287 WeakPolarHBondContact OD1-CA 3.16Å; D285-H287 PolarHBondContact OD1-N 3.12Å; D285-G288 PolarHBondContact O-N 3Å; D285-G288 VanDerWaalsContact O-N 3.12Å; D285-G288 PolarHBondContact OD1-N 3.39Å; D285-G288 VanDerWaalsContact OD1-N 3.1Å; D285-L289 HydrophobicContact CB-CB 3.84Å; D285-L289 VanDerWaalsContact OD1-CB 3.32Å; D285-L289 WeakPolarHBondContact OD1-CB 3.08Å; D285-L289 PolarHBondContact OD1-N 2.85Å | ||
| 286 | P | 92.2 | Very high | 95.9 | Very high | 112 Ų | 112 | 43.1 Ų | 43.1 | 73% | 0.727 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.8 | -173 | 26.1 | -35.1 | 0 | 0 | 0 | 113.8 | ||
| 287 | H | 92.3 | Very high | 96 | Very high | 155 Ų | 155 | 40 Ų | 40 | 72% | 0.718 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 7.1 | 179.5 | -58.3 | -62 | 0 | 0 | 0 | 112.4 | D285 | D285-H287 PolarHBondContact O-N 3.47Å; D285-H287 WeakPolarHBondContact OD1-CA 3.16Å; D285-H287 PolarHBondContact OD1-N 3.12Å |
| 288 | G | 93.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | trans | 64.8 | 39.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D285 H290 | D285-G288 PolarHBondContact O-N 3Å; D285-G288 VanDerWaalsContact O-N 3.12Å; D285-G288 PolarHBondContact OD1-N 3.39Å; D285-G288 VanDerWaalsContact OD1-N 3.1Å; G288-H290 PolarHBondContact O-CD2 3.24Å | ||
| 289 | L | 96.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | trans | -52.8 | 138.5 | 173.7 | -169.9 | 73 | 0 | 0 | 0 | 111.8 | R24 D27 R28 Y232 V282 D285 | R24-L289 HydrophobicContact CB-CD1 3.96Å; R24-L289 HydrophobicContact CG-CD1 4.49Å; D27-L289 HydrophobicContact CB-CD2 4.03Å; R28-L289 HydrophobicContact CG-CD1 3.82Å; R28-L289 HydrophobicContact CG-CD2 3.93Å; R28-L289 HydrophobicContact CG-CG 3.98Å; Y232-L289 VanDerWaalsContact OH-CD1 3.28Å; Y232-L289 WeakPolarHBondContact OH-CD1 3.15Å; V282-L289 HydrophobicContact CB-CB 4.28Å; V282-L289 WeakPolarHBondContact CB-O 3.46Å; V282-L289 HydrophobicContact CG2-CB 4.2Å; V282-L289 HydrophobicContact CG2-CD2 4.01Å; V282-L289 HydrophobicContact CG2-CG 4.07Å; V282-L289 PolarHBondContact N-O 3.27Å; D285-L289 HydrophobicContact CB-CB 3.84Å; D285-L289 VanDerWaalsContact OD1-CB 3.32Å; D285-L289 WeakPolarHBondContact OD1-CB 3.08Å; D285-L289 PolarHBondContact OD1-N 2.85Å | ||
| 290 | H | 97.7 | Very high | 96.3 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -102.3 | 153 | 166.7 | -80.2 | -134.2 | 0 | 0 | 0 | 109.7 | R28 D229 P231 Y232 R280 G288 S292 | R28-H290 WeakPolarHBondContact CD-O 3.43Å; R28-H290 WeakPolarHBondContact CG-O 3.43Å; D229-H290 PolarHBondContact O-CE1 2.6Å; D229-H290 VanDerWaalsContact O-CE1 3.32Å; P231-H290 WeakPolarHBondContact CD-CD2 3.49Å; P231-H290 WeakPolarHBondContact CD-NE2 3.42Å; Y232-H290 HydrophobicContact CD2-CB 4.21Å; Y232-H290 HydrophobicContact CE2-CB 3.59Å; Y232-H290 PolarHBondContact OH-N 2.98Å; R280-H290 WeakPolarHBondContact O-CA 2.72Å; G288-H290 PolarHBondContact O-CD2 3.24Å; H290-S292 VanDerWaalsContact C-N 3.26Å; H290-S292 PolarHBondContact O-N 2.8Å |
| 291 | Y | 97.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -66.1 | -32.5 | -179.5 | -68.9 | -83.2 | 0 | 0 | 0 | 111.6 | R28 A31 I32 K35 M279 R280 K281 V282 P283 | R28-Y291 WeakPolarHBondContact CD-O 3.31Å; R28-Y291 PolarHBondContact NH1-O 2.88Å; A31-Y291 HydrophobicContact CB-CD1 3.98Å; A31-Y291 HydrophobicContact CB-CE1 3.68Å; I32-Y291 HydrophobicContact CG1-CD1 3.78Å; I32-Y291 HydrophobicContact CG1-CG 4.44Å; K35-Y291 HydrophobicContact CB-CE1 4.11Å; K35-Y291 HydrophobicContact CD-CE1 3.97Å; K35-Y291 HydrophobicContact CD-CE2 3.81Å; K35-Y291 VanDerWaalsContact CD-CZ 3.41Å; K35-Y291 VanDerWaalsContact CD-OH 3.24Å; K35-Y291 WeakPolarHBondContact CD-OH 3.14Å; M279-Y291 HydrophobicContact CB-CD2 4.23Å; M279-Y291 HydrophobicContact CB-CG 4.34Å; M279-Y291 WeakPolarHBondContact O-CB 3.45Å; M279-Y291 WeakPolarHBondContact O-CD2 3.39Å; M279-Y291 HydrophobicContact SD-CD1 4.15Å; M279-Y291 HydrophobicContact SD-CD2 4.3Å; M279-Y291 HydrophobicContact SD-CE1 4.34Å; M279-Y291 HydrophobicContact SD-CG 4.13Å; R280-Y291 WeakPolarHBondContact O-CD2 3.44Å; R280-Y291 PolarHBondContact O-N 2.89Å; K281-Y291 WeakPolarHBondContact O-CE2 3.38Å; V282-Y291 HydrophobicContact CB-CE2 4.39Å; V282-Y291 HydrophobicContact CG1-CE1 4.49Å; V282-Y291 HydrophobicContact CG2-CD1 3.79Å; V282-Y291 HydrophobicContact CG2-CD2 3.97Å; V282-Y291 HydrophobicContact CG2-CE1 3.82Å; V282-Y291 HydrophobicContact CG2-CE2 3.98Å; V282-Y291 HydrophobicContact CG2-CG 3.87Å; P283-Y291 WeakPolarHBondContact CD-OH 3.23Å |
| 292 | S | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | trans | -157.4 | 172.6 | 178.4 | -166.8 | 0 | 0 | 0 | 0 | 110.8 | N12 W14 N230 Y232 H290 H294 | N12-S292 VanDerWaalsContact O-CB 3.25Å; N12-S292 WeakPolarHBondContact O-CB 3.48Å; N12-S292 PolarHBondContact O-OG 3.46Å; W14-S292 WeakPolarHBondContact CB-OG 3.34Å; N230-S292 PolarHBondContact ND2-O 3.1Å; Y232-S292 WeakPolarHBondContact CD2-O 2.92Å; H290-S292 VanDerWaalsContact C-N 3.26Å; H290-S292 PolarHBondContact O-N 2.8Å; S292-H294 CarbonylContact C-O 3.33Å; S292-H294 WeakPolarHBondContact CB-O 3.48Å; S292-H294 PolarHBondContact OG-N 3.16Å | ||
| 293 | D | 96.6 | Very high | 96.4 | Very high | 29 Ų | 29 | 28.9 Ų | 28.9 | 16% | 0.155 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -72.9 | -17.7 | 164.3 | 61.4 | -19.6 | 0 | 0 | 0 | 111.9 | W14 N230 Y232 | W14-D293 WeakPolarHBondContact CB-OD1 3.48Å; W14-D293 HydrophobicContact CD2-CB 4.09Å; W14-D293 HydrophobicContact CE3-CB 4.02Å; W14-D293 VanDerWaalsContact CG-OD1 3.22Å; W14-D293 HydrophobicContact CZ3-CB 4.28Å; N230-D293 PolarHBondContact ND2-O 3.1Å; Y232-D293 HydrophobicContact CD2-CB 4.35Å |
| 294 | H | 98.1 | Very high | 96.4 | Very high | 9 Ų | 9 | 25 Ų | 25 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -96 | 160.5 | 165.9 | -73.5 | -124.9 | 0 | 0 | 0 | 112.9 | F11 N12 D180 T224 C225 D248 S292 | F11-H294 WeakPolarHBondContact CE2-O 3.49Å; N12-H294 HydrophobicContact CB-CB 3.96Å; D180-H294 IonicContact OD2-CE1 3.69Å; D180-H294 PolarHBondContact OD2-CE1 3.47Å; T224-H294 CarbonylContact O-C 3.5Å; T224-H294 WeakPolarHBondContact O-CA 3.29Å; C225-H294 PolarHBondContact SG-NE2 3.24Å; D248-H294 IonicContact OD1-ND1 2.64Å; D248-H294 IonicContact OD2-CE1 3.48Å; D248-H294 IonicContact OD2-CG 2.66Å; D248-H294 IonicContact OD2-ND1 2.75Å; D248-H294 PolarHBondContact OD2-ND1 2.77Å; S292-H294 CarbonylContact C-O 3.33Å; S292-H294 WeakPolarHBondContact CB-O 3.48Å; S292-H294 PolarHBondContact OG-N 3.16Å |
| 295 | E | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -100.7 | 142.4 | 167 | -53.4 | -60 | 144.5 | 0 | 0 | 110 | T224 R227 N230 L277 R280 | T224-E295 PolarHBondContact O-N 3.47Å; R227-E295 HydrophobicContact CG-CG 4.43Å; N230-E295 PolarHBondContact ND2-OE1 3.37Å; L277-E295 HydrophobicContact CB-CB 4.49Å; L277-E295 HydrophobicContact CD1-CB 4.4Å; R280-E295 WeakPolarHBondContact CA-OE2 3.46Å; R280-E295 WeakPolarHBondContact CB-OE2 3.36Å; R280-E295 WeakPolarHBondContact CG-OE2 3.37Å |
| 296 | G | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 144.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T10 F11 L277 D278 | T10-G296 WeakPolarHBondContact O-CA 3.47Å; F11-G296 VanDerWaalsContact CD2-CA 3.44Å; L277-G296 CarbonylContact C-O 3.59Å; L277-G296 VanDerWaalsContact CA-O 3.24Å; L277-G296 WeakPolarHBondContact CA-O 3.48Å; D278-G296 PolarHBondContact N-O 3.42Å; D278-G296 WeakPolarHBondContact O-CA 3.28Å; D278-G296 PolarHBondContact O-N 3.05Å |
| 297 | V | 98.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.024 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.2 | 171.8 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | T10 T224 D248 I250 L277 | T10-V297 HydrophobicContact CG2-CB 3.87Å; T10-V297 PolarHBondContact N-O 3.27Å; T10-V297 PolarHBondContact O-N 2.89Å; T224-V297 HydrophobicContact CG2-CG2 3.6Å; D248-V297 HydrophobicContact CB-CG2 3.81Å; I250-V297 HydrophobicContact CD1-CG1 4.1Å; I250-V297 WeakPolarHBondContact CD1-O 3.22Å; I250-V297 HydrophobicContact CG1-CB 4.45Å; I250-V297 HydrophobicContact CG1-CG1 4.01Å; L277-V297 HydrophobicContact CD2-CG2 3.99Å |
| 298 | A | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 140.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V8 L9 F41 C275 W276 D278 | V8-A298 CarbonylContact O-C 3.57Å; V8-A298 VanDerWaalsContact O-CA 3.29Å; V8-A298 WeakPolarHBondContact O-CA 3.48Å; L9-A298 HydrophobicContact CD1-CB 4.06Å; F41-A298 HydrophobicContact CE1-CB 3.63Å; F41-A298 HydrophobicContact CZ-CB 3.9Å; C275-A298 CarbonylContact C-O 3.5Å; C275-A298 VanDerWaalsContact CA-O 3.25Å; C275-A298 WeakPolarHBondContact CA-O 3.42Å; C275-A298 PolarHBondContact SG-O 3.44Å; W276-A298 HydrophobicContact CD2-CB 3.8Å; W276-A298 HydrophobicContact CE3-CB 4.34Å; W276-A298 HydrophobicContact CG-CB 4.28Å; W276-A298 HydrophobicContact CH2-CB 4.05Å; W276-A298 HydrophobicContact CZ2-CB 3.49Å; W276-A298 VanDerWaalsContact CZ2-CB 3.49Å; W276-A298 HydrophobicContact CZ3-CB 4.45Å; W276-A298 PolarHBondContact N-O 3.42Å; W276-A298 PolarHBondContact O-N 3.03Å; D278-A298 HydrophobicContact CB-CB 4.15Å |
| 299 | A | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 142.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K7 V8 A202 I250 S274 F301 | K7-A299 CarbonylContact C-O 3.59Å; K7-A299 WeakPolarHBondContact CA-O 3.47Å; V8-A299 PolarHBondContact N-O 3.35Å; V8-A299 PolarHBondContact O-N 2.63Å; A202-A299 HydrophobicContact CB-CB 3.98Å; I250-A299 HydrophobicContact CD1-CB 3.85Å; I250-A299 HydrophobicContact CG2-CB 4.32Å; S274-A299 CarbonylContact O-C 3.34Å; S274-A299 WeakPolarHBondContact O-CA 3.47Å; A299-F301 HydrophobicContact CB-CD2 4.3Å; A299-F301 HydrophobicContact CB-CE2 3.49Å; A299-F301 VanDerWaalsContact CB-CE2 3.49Å; A299-F301 HydrophobicContact CB-CZ 3.7Å |
| 300 | S | 97.5 | Very high | 94.5 | Very high | 19 Ų | 19 | 36 Ų | 36 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.7 | 172.7 | 174.2 | 0 | 0 | 0 | 0 | 108.9 | N273 S274 | N273-S300 PolarHBondContact N-O 2.88Å; N273-S300 PolarHBondContact ND2-OG 3.49Å; S274-S300 PolarHBondContact O-N 2.89Å; S274-S300 WeakPolarHBondContact OG-CB 3.48Å |
| 301 | F | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 151.7 | -178.2 | -66.8 | -80.8 | 0 | 0 | 0 | 111.6 | K5 F6 V8 I176 A202 I250 Y252 L270 V271 C272 N273 A299 | K5-F301 VanDerWaalsContact CA-O 3.28Å; K5-F301 WeakPolarHBondContact CA-O 3.39Å; F6-F301 HydrophobicContact CD1-CB 4.07Å; F6-F301 HydrophobicContact CD2-CB 4.36Å; F6-F301 HydrophobicContact CD2-CD2 4.45Å; F6-F301 HydrophobicContact CE1-CB 3.6Å; F6-F301 HydrophobicContact CE2-CB 3.92Å; F6-F301 AromaticContact CE2-CD2 3.9Å; F6-F301 HydrophobicContact CE2-CD2 3.9Å; F6-F301 HydrophobicContact CE2-CG 4.19Å; F6-F301 HydrophobicContact CG-CB 4.43Å; F6-F301 HydrophobicContact CZ-CB 3.52Å; F6-F301 HydrophobicContact CZ-CD2 4.21Å; F6-F301 HydrophobicContact CZ-CG 4.03Å; F6-F301 PolarHBondContact N-O 3.33Å; F6-F301 PolarHBondContact O-N 3.03Å; V8-F301 HydrophobicContact CB-CE2 4.2Å; V8-F301 HydrophobicContact CG2-CD2 3.96Å; V8-F301 HydrophobicContact CG2-CE2 3.98Å; I176-F301 HydrophobicContact CD1-CD2 4.04Å; I176-F301 HydrophobicContact CD1-CE2 3.95Å; I176-F301 HydrophobicContact CD1-CG 4.46Å; I176-F301 HydrophobicContact CD1-CZ 4.32Å; A202-F301 HydrophobicContact CB-CZ 4.4Å; I250-F301 HydrophobicContact CG2-CE2 4.13Å; I250-F301 HydrophobicContact CG2-CZ 3.76Å; Y252-F301 AromaticContact CD1-CE1 3.71Å; Y252-F301 HydrophobicContact CD1-CE1 3.71Å; Y252-F301 HydrophobicContact CD1-CZ 4.19Å; Y252-F301 HydrophobicContact CD2-CD1 4.37Å; Y252-F301 AromaticContact CD2-CE1 3.83Å; Y252-F301 HydrophobicContact CD2-CE1 3.83Å; Y252-F301 HydrophobicContact CE1-CE1 4.14Å; Y252-F301 HydrophobicContact CE2-CE1 4.24Å; Y252-F301 HydrophobicContact CG-CD1 4.48Å; Y252-F301 AromaticContact CG-CE1 3.54Å; Y252-F301 HydrophobicContact CG-CE1 3.54Å; Y252-F301 HydrophobicContact CG-CZ 4.2Å; L270-F301 HydrophobicContact CD1-CB 3.78Å; L270-F301 HydrophobicContact CD1-CD1 3.91Å; L270-F301 HydrophobicContact CD1-CG 4.08Å; L270-F301 HydrophobicContact CD2-CD1 4.19Å; L270-F301 HydrophobicContact CD2-CE1 4.46Å; L270-F301 HydrophobicContact CG-CD1 4Å; V271-F301 CarbonylContact O-C 3.55Å; V271-F301 VanDerWaalsContact O-CA 3.28Å; V271-F301 WeakPolarHBondContact O-CA 3.35Å; C272-F301 HydrophobicContact CB-CD1 4.08Å; C272-F301 HydrophobicContact CB-CE1 3.77Å; N273-F301 PolarHBondContact ND2-O 3.39Å; A299-F301 HydrophobicContact CB-CD2 4.3Å; A299-F301 HydrophobicContact CB-CE2 3.49Å; A299-F301 VanDerWaalsContact CB-CE2 3.49Å; A299-F301 HydrophobicContact CB-CZ 3.7Å |
| 302 | T | 97.3 | Very high | 91.6 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 123.9 | 164.1 | -56.9 | 0 | 0 | 0 | 0 | 107.4 | E3 E4 K5 V271 N273 | E3-T302 HydrophobicContact CG-CG2 3.4Å; E4-T302 WeakPolarHBondContact O-CA 3.46Å; K5-T302 HydrophobicContact CG-CG2 4.3Å; V271-T302 PolarHBondContact N-O 2.91Å; V271-T302 PolarHBondContact O-N 3.33Å; N273-T302 PolarHBondContact ND2-N 3.45Å; N273-T302 PolarHBondContact ND2-OG1 3.06Å; N273-T302 PolarHBondContact OD1-OG1 3.16Å |
| 303 | I | 97.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.8 | 169.9 | -169.1 | 165.7 | 0 | 0 | 0 | 109.8 | E3 E4 F6 F128 I130 D173 A174 A268 K269 L270 | E3-I303 WeakPolarHBondContact CA-O 3.49Å; E4-I303 HydrophobicContact CB-CG2 4Å; E4-I303 PolarHBondContact N-O 3.43Å; E4-I303 PolarHBondContact O-N 2.79Å; F6-I303 HydrophobicContact CD1-CG2 4.3Å; F6-I303 HydrophobicContact CE1-CB 4.13Å; F6-I303 HydrophobicContact CE1-CG2 3.84Å; F128-I303 HydrophobicContact CB-CD1 3.96Å; F128-I303 HydrophobicContact CB-CG2 4.44Å; F128-I303 HydrophobicContact CD1-CD1 3.77Å; F128-I303 HydrophobicContact CD1-CG1 3.85Å; F128-I303 HydrophobicContact CD1-CG2 4.35Å; F128-I303 HydrophobicContact CD2-CG2 3.65Å; F128-I303 HydrophobicContact CE1-CD1 4.44Å; F128-I303 HydrophobicContact CE1-CG1 4.02Å; F128-I303 HydrophobicContact CE2-CG2 3.86Å; F128-I303 HydrophobicContact CG-CD1 3.93Å; F128-I303 HydrophobicContact CG-CG1 4.18Å; F128-I303 HydrophobicContact CG-CG2 3.9Å; F128-I303 HydrophobicContact CZ-CG1 4.5Å; F128-I303 HydrophobicContact CZ-CG2 4.3Å; I130-I303 HydrophobicContact CD1-CD1 4.35Å; I130-I303 HydrophobicContact CG1-CD1 4.36Å; D173-I303 HydrophobicContact CB-CD1 4.3Å; A174-I303 HydrophobicContact CB-CD1 3.88Å; A268-I303 HydrophobicContact CB-CD1 4.14Å; A268-I303 HydrophobicContact CB-CG1 4.09Å; K269-I303 WeakPolarHBondContact O-CA 3.3Å; L270-I303 HydrophobicContact CD1-CB 3.97Å; L270-I303 HydrophobicContact CD1-CG1 4.49Å |
| 304 | T | 96.8 | Very high | 88 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 14% | 0.135 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.6 | -174.3 | -49.1 | 0 | 0 | 0 | 0 | 110.3 | M1 E3 A268 K269 L306 | M1-T304 HydrophobicContact CG-CG2 3.58Å; M1-T304 HydrophobicContact SD-CG2 3.48Å; M1-T304 WeakPolarHBondContact SD-CG2 3.49Å; E3-T304 HydrophobicContact CB-CG2 4.45Å; E3-T304 PolarHBondContact OE2-OG1 2.79Å; A268-T304 CarbonylContact C-O 3.59Å; A268-T304 VanDerWaalsContact CA-O 3.29Å; A268-T304 WeakPolarHBondContact CA-O 3.22Å; K269-T304 PolarHBondContact N-O 2.93Å; K269-T304 PolarHBondContact O-N 2.74Å; T304-L306 PolarHBondContact O-N 3.24Å |
| 305 | R | 95.2 | Very high | 86.1 | Confident | 111 Ų | 111 | 55 Ų | 55 | 42% | 0.419 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 123.7 | 173.8 | -157.5 | 170.3 | -159.1 | 116.4 | 7.9 | 110.4 | V2 F128 | V2-R305 HydrophobicContact CB-CB 4.25Å; V2-R305 PolarHBondContact O-N 3.38Å; F128-R305 HydrophobicContact CE1-CB 3.89Å; F128-R305 HydrophobicContact CE1-CG 4.45Å; F128-R305 HydrophobicContact CZ-CB 4.01Å |
| 306 | L | 92.3 | Very high | 84.7 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 25% | 0.251 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 135.8 | -176.9 | -58.8 | 177.9 | 0 | 0 | 0 | 110.5 | Y267 K269 T304 V310 | Y267-L306 PolarHBondContact O-N 2.75Å; K269-L306 HydrophobicContact CB-CD1 4.36Å; K269-L306 HydrophobicContact CB-CD2 3.88Å; K269-L306 HydrophobicContact CB-CG 4.33Å; T304-L306 PolarHBondContact O-N 3.24Å; L306-V310 HydrophobicContact CD1-CB 4.36Å; L306-V310 HydrophobicContact CD1-CG2 3.89Å |
| 307 | R | 85.8 | Confident | 83.5 | Confident | 202 Ų | 202 | 61.6 Ų | 61.6 | 76% | 0.762 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | -42 | 175.4 | -69.8 | -176.7 | -179.7 | 176.3 | 0.5 | 111.8 | ||
| 308 | N | 84.6 | Confident | 82.7 | Confident | 135 Ų | 135 | 63.6 Ų | 63.6 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117 | 173.1 | -65.1 | -25.9 | 0 | 0 | 0 | 106.9 | V310 | N308-V310 PolarHBondContact O-N 3.1Å |
| 309 | P | 82.4 | Confident | 82.1 | Confident | 57 Ų | 57 | 68.6 Ų | 68.6 | 37% | 0.37 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 130.1 | 174.6 | -22.4 | 33.4 | 0 | 0 | 0 | 109.7 | P265 S266 Y267 | P265-P309 HydrophobicContact CB-CB 3.53Å; P265-P309 HydrophobicContact CG-CB 3.8Å; S266-P309 CarbonylContact O-C 3.58Å; S266-P309 VanDerWaalsContact O-CA 3.3Å; S266-P309 WeakPolarHBondContact O-CA 3.33Å; Y267-P309 HydrophobicContact CD1-CB 3.98Å; Y267-P309 HydrophobicContact CD1-CG 3.63Å; Y267-P309 HydrophobicContact CE1-CB 3.84Å; Y267-P309 HydrophobicContact CE1-CG 3.36Å |
| 310 | V | 78.8 | Confident | 81.6 | Confident | 77 Ų | 77 | 72.7 Ų | 72.7 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 116 | 178.3 | 175.4 | 0 | 0 | 0 | 0 | 106.8 | S266 L306 N308 | S266-V310 PolarHBondContact N-O 3.41Å; S266-V310 PolarHBondContact O-N 3.05Å; L306-V310 HydrophobicContact CD1-CB 4.36Å; L306-V310 HydrophobicContact CD1-CG2 3.89Å; N308-V310 PolarHBondContact O-N 3.1Å |
| 311 | K | 71.6 | Confident | 81 | Confident | 155 Ų | 155 | 75.3 Ų | 75.3 | 67% | 0.674 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -66 | 136.6 | 165.6 | -75.9 | -174.5 | 177.4 | -177.4 | 0 | 107.6 | P265 E313 | P265-K311 HydrophobicContact CB-CG 4.29Å; K311-E313 PolarHBondContact O-N 3.13Å |
| 312 | P | 64.7 | Low | 80.5 | Confident | 27 Ų | 27 | 77.1 Ų | 77.1 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -51.8 | 118 | 168.1 | -19.8 | 30 | 0 | 0 | 0 | 108 | I258 G314 | I258-P312 HydrophobicContact CB-CB 3.83Å; I258-P312 HydrophobicContact CB-CG 4.45Å; I258-P312 HydrophobicContact CD1-CB 4.33Å; I258-P312 HydrophobicContact CG1-CB 4.33Å; P312-G314 PolarHBondContact O-N 2.73Å |
| 313 | E | 59.5 | Low | 80.2 | Confident | 147 Ų | 147 | 80 Ų | 80 | 69% | 0.687 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 131.5 | 178.1 | -76.2 | -174.6 | 177.7 | 0 | 0 | 108.9 | K311 E315 | K311-E313 PolarHBondContact O-N 3.13Å; E313-E315 PolarHBondContact O-N 3.18Å |
| 314 | G | 57.9 | Low | 80 | Confident | 42 Ų | 42 | 85.2 Ų | 85.2 | 43% | 0.433 | 44% | 0.442 | S | S | . | . | trans | -73 | 52.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P312 T316 I430 | P312-G314 PolarHBondContact O-N 2.73Å; G314-T316 PolarHBondContact O-N 2.89Å; G314-I430 VanDerWaalsContact C-CG2 3.43Å; G314-I430 VanDerWaalsContact CA-CG2 3.48Å | ||
| 315 | E | 59.5 | Low | 79.8 | Confident | 96 Ų | 96 | 84.7 Ų | 84.7 | 45% | 0.449 | 44% | 0.438 | S | S | . | . | trans | -70 | 111.8 | 176.4 | -78 | -167.7 | -178.5 | 0 | 0 | 111.3 | E313 M317 I430 K431 | E313-E315 PolarHBondContact O-N 3.18Å; E315-M317 PolarHBondContact O-N 3.08Å; E315-I430 VanDerWaalsContact N-CG2 3.33Å; E315-I430 WeakPolarHBondContact O-CG2 3.22Å; E315-K431 HydrophobicContact CB-CB 4.01Å; E315-K431 HydrophobicContact CB-CD 4.3Å; E315-K431 VanDerWaalsContact O-CB 3.31Å; E315-K431 WeakPolarHBondContact O-CB 3.38Å; E315-K431 PolarHBondContact O-N 3.48Å; E315-K431 WeakPolarHBondContact OE2-CD 3.5Å; E315-K431 IonicContact OE2-NZ 3.94Å; E315-K431 PolarHBondContact OE2-NZ 3.4Å | ||
| 316 | T | 67 | Low | 79.7 | Confident | 110 Ų | 110 | 83.6 Ų | 83.6 | 68% | 0.675 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 125.4 | 169.3 | 44.4 | 0 | 0 | 0 | 0 | 109.5 | G314 S318 | G314-T316 PolarHBondContact O-N 2.89Å; T316-S318 PolarHBondContact O-N 3.21Å |
| 317 | M | 73.2 | Confident | 79.9 | Confident | 30 Ų | 30 | 85.6 Ų | 85.6 | 15% | 0.148 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 134.6 | 173.9 | -173.4 | 177.7 | -73 | 0 | 0 | 109.9 | E315 E321 L322 L325 | E315-M317 PolarHBondContact O-N 3.08Å; M317-E321 HydrophobicContact CG-CB 3.16Å; M317-E321 HydrophobicContact CG-CG 4.26Å; M317-E321 HydrophobicContact SD-CB 3.68Å; M317-L322 HydrophobicContact CB-CD2 3.94Å; M317-L322 HydrophobicContact CB-CG 3.89Å; M317-L322 HydrophobicContact CG-CD2 4.03Å; M317-L322 HydrophobicContact CG-CG 3.77Å; M317-L322 VanDerWaalsContact SD-CA 3.55Å; M317-L322 HydrophobicContact SD-CB 4.26Å; M317-L322 HydrophobicContact SD-CD2 3.6Å; M317-L322 HydrophobicContact SD-CG 3.8Å; M317-L322 PolarHBondContact SD-N 2.79Å; M317-L325 HydrophobicContact CE-CD2 4.39Å |
| 318 | S | 82 | Confident | 80.4 | Confident | 45 Ų | 45 | 76 Ų | 76 | 32% | 0.315 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 155.8 | 175.2 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | T316 S320 E321 L322 | T316-S318 PolarHBondContact O-N 3.21Å; S318-S320 PolarHBondContact O-N 3.32Å; S318-S320 VanDerWaalsContact O-N 3.14Å; S318-S320 PolarHBondContact OG-OG 3.46Å; S318-E321 VanDerWaalsContact CB-OE2 3.28Å; S318-E321 WeakPolarHBondContact CB-OE2 3.22Å; S318-E321 PolarHBondContact N-OE2 3.41Å; S318-E321 PolarHBondContact O-N 3.25Å; S318-E321 VanDerWaalsContact O-N 3.08Å; S318-E321 WeakPolarHBondContact OG-CB 3.43Å; S318-E321 VanDerWaalsContact OG-CD 3.22Å; S318-E321 VanDerWaalsContact OG-CG 3.23Å; S318-E321 WeakPolarHBondContact OG-CG 3.45Å; S318-E321 PolarHBondContact OG-N 2.83Å; S318-E321 PolarHBondContact OG-OE2 3.24Å; S318-L322 PolarHBondContact O-N 3.05Å |
| 319 | T | 85.4 | Confident | 81 | Confident | 105 Ų | 105 | 69.8 Ų | 69.8 | 64% | 0.644 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -54 | -35.9 | 175.9 | -50.1 | 0 | 0 | 0 | 0 | 112.2 | N323 | T319-N323 WeakPolarHBondContact O-CB 3.27Å; T319-N323 PolarHBondContact O-N 3.34Å; T319-N323 PolarHBondContact O-ND2 2.77Å |
| 320 | S | 87.7 | Confident | 81.7 | Confident | 86 Ų | 86 | 71.6 Ų | 71.6 | 60% | 0.601 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.6 | -44.5 | 176.6 | 40.7 | 0 | 0 | 0 | 0 | 113.1 | S318 N323 R324 | S318-S320 PolarHBondContact O-N 3.32Å; S318-S320 VanDerWaalsContact O-N 3.14Å; S318-S320 PolarHBondContact OG-OG 3.46Å; S320-N323 PolarHBondContact O-N 2.86Å; S320-R324 PolarHBondContact O-N 3.33Å |
| 321 | E | 85.6 | Confident | 82.6 | Confident | 74 Ų | 74 | 70.6 Ų | 70.6 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 178.2 | -71.5 | 161.6 | 139.4 | 0 | 0 | 110.7 | M317 S318 N323 R324 L325 | M317-E321 HydrophobicContact CG-CB 3.16Å; M317-E321 HydrophobicContact CG-CG 4.26Å; M317-E321 HydrophobicContact SD-CB 3.68Å; S318-E321 VanDerWaalsContact CB-OE2 3.28Å; S318-E321 WeakPolarHBondContact CB-OE2 3.22Å; S318-E321 PolarHBondContact N-OE2 3.41Å; S318-E321 PolarHBondContact O-N 3.25Å; S318-E321 VanDerWaalsContact O-N 3.08Å; S318-E321 WeakPolarHBondContact OG-CB 3.43Å; S318-E321 VanDerWaalsContact OG-CD 3.22Å; S318-E321 VanDerWaalsContact OG-CG 3.23Å; S318-E321 WeakPolarHBondContact OG-CG 3.45Å; S318-E321 PolarHBondContact OG-N 2.83Å; S318-E321 PolarHBondContact OG-OE2 3.24Å; E321-N323 VanDerWaalsContact C-N 3.35Å; E321-N323 PolarHBondContact O-N 3.3Å; E321-R324 PolarHBondContact O-N 3.24Å; E321-L325 PolarHBondContact O-N 2.7Å |
| 322 | L | 85.9 | Confident | 83.8 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 20% | 0.204 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 175.2 | -74 | 169.4 | 0 | 0 | 0 | 111.3 | M317 S318 L325 R326 L421 | M317-L322 HydrophobicContact CB-CD2 3.94Å; M317-L322 HydrophobicContact CB-CG 3.89Å; M317-L322 HydrophobicContact CG-CD2 4.03Å; M317-L322 HydrophobicContact CG-CG 3.77Å; M317-L322 VanDerWaalsContact SD-CA 3.55Å; M317-L322 HydrophobicContact SD-CB 4.26Å; M317-L322 HydrophobicContact SD-CD2 3.6Å; M317-L322 HydrophobicContact SD-CG 3.8Å; M317-L322 PolarHBondContact SD-N 2.79Å; S318-L322 PolarHBondContact O-N 3.05Å; L322-L325 PolarHBondContact O-N 2.92Å; L322-R326 WeakPolarHBondContact O-CG 3.46Å; L322-R326 PolarHBondContact O-N 2.82Å; L322-L421 HydrophobicContact CD2-CD1 3.42Å; L322-L421 VanDerWaalsContact CD2-CD1 3.42Å |
| 323 | N | 91.2 | Very high | 85.4 | Confident | 71 Ų | 71 | 63.8 Ų | 63.8 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 176.4 | -71.6 | -16.3 | 0 | 0 | 0 | 111.4 | T319 S320 E321 L325 R326 D327 | T319-N323 WeakPolarHBondContact O-CB 3.27Å; T319-N323 PolarHBondContact O-N 3.34Å; T319-N323 PolarHBondContact O-ND2 2.77Å; S320-N323 PolarHBondContact O-N 2.86Å; E321-N323 VanDerWaalsContact C-N 3.35Å; E321-N323 PolarHBondContact O-N 3.3Å; N323-L325 VanDerWaalsContact C-N 3.32Å; N323-L325 PolarHBondContact O-N 2.77Å; N323-R326 WeakPolarHBondContact O-CB 3.46Å; N323-R326 PolarHBondContact O-N 3.24Å; N323-R326 PolarHBondContact OD1-NH1 3.48Å; N323-D327 VanDerWaalsContact O-CG 3.28Å; N323-D327 PolarHBondContact O-N 2.96Å |
| 324 | R | 93.5 | Very high | 87.2 | Confident | 111 Ų | 111 | 62 Ų | 62 | 42% | 0.419 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 174.8 | -179.3 | 55.3 | 178.1 | 167.7 | -1.6 | 111.6 | E191 S320 E321 R326 D327 L328 | E191-R324 IonicContact OE1-CZ 2.7Å; E191-R324 IonicContact OE1-NE 3.61Å; E191-R324 PolarHBondContact OE1-NE 3.36Å; E191-R324 IonicContact OE1-NH2 3.49Å; E191-R324 PolarHBondContact OE1-NH2 3.32Å; E191-R324 IonicContact OE2-CZ 3.07Å; E191-R324 IonicContact OE2-NE 2.76Å; E191-R324 IonicContact OE2-NH2 2.71Å; E191-R324 PolarHBondContact OE2-NH2 3.32Å; S320-R324 PolarHBondContact O-N 3.33Å; E321-R324 PolarHBondContact O-N 3.24Å; R324-R326 VanDerWaalsContact C-N 3.34Å; R324-R326 PolarHBondContact O-N 3.07Å; R324-D327 PolarHBondContact O-N 3.34Å; R324-L328 HydrophobicContact CG-CD1 4.26Å; R324-L328 VanDerWaalsContact O-CG 3.28Å; R324-L328 WeakPolarHBondContact O-CG 3.43Å; R324-L328 PolarHBondContact O-N 3.32Å |
| 325 | L | 92 | Very high | 89.1 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -39.5 | 176.5 | -175 | 61 | 0 | 0 | 0 | 112.2 | L192 T195 M317 E321 L322 N323 L328 L329 L421 L429 | L192-L325 HydrophobicContact CD1-CD1 3.55Å; T195-L325 HydrophobicContact CG2-CD1 4.42Å; M317-L325 HydrophobicContact CE-CD2 4.39Å; E321-L325 PolarHBondContact O-N 2.7Å; L322-L325 PolarHBondContact O-N 2.92Å; N323-L325 VanDerWaalsContact C-N 3.32Å; N323-L325 PolarHBondContact O-N 2.77Å; L325-L328 PolarHBondContact O-N 3.45Å; L325-L329 HydrophobicContact CG-CD1 4.18Å; L325-L329 VanDerWaalsContact O-CG 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.48Å; L325-L329 PolarHBondContact O-N 3.28Å; L325-L421 HydrophobicContact CB-CD2 4.3Å; L325-L421 HydrophobicContact CD2-CD1 4.15Å; L325-L421 HydrophobicContact CD2-CD2 4.07Å; L325-L421 HydrophobicContact CG-CD2 4.02Å; L325-L429 HydrophobicContact CD2-CD2 3.72Å |
| 326 | R | 93 | Very high | 91 | Very high | 88 Ų | 88 | 56.8 Ų | 56.8 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 172.8 | -72.7 | -173 | -175.2 | 101.1 | 7.3 | 111.7 | L322 N323 R324 L328 L329 L330 L421 D422 | L322-R326 WeakPolarHBondContact O-CG 3.46Å; L322-R326 PolarHBondContact O-N 2.82Å; N323-R326 WeakPolarHBondContact O-CB 3.46Å; N323-R326 PolarHBondContact O-N 3.24Å; N323-R326 PolarHBondContact OD1-NH1 3.48Å; R324-R326 VanDerWaalsContact C-N 3.34Å; R324-R326 PolarHBondContact O-N 3.07Å; R326-L328 VanDerWaalsContact C-N 3.33Å; R326-L328 PolarHBondContact O-N 3.28Å; R326-L329 PolarHBondContact O-N 3.02Å; R326-L330 WeakPolarHBondContact O-CB 3.08Å; R326-L330 PolarHBondContact O-N 2.96Å; R326-L421 HydrophobicContact CB-CD2 4.38Å; R326-L421 HydrophobicContact CG-CD2 3.42Å; R326-L421 VanDerWaalsContact CG-CD2 3.42Å; R326-L421 HydrophobicContact CG-CG 4.17Å; R326-D422 IonicContact NE-OD1 3.56Å |
| 327 | D | 95.9 | Very high | 92.4 | Very high | 90 Ų | 90 | 53.7 Ų | 53.7 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 179.4 | -65.7 | -22.8 | 0 | 0 | 0 | 111.4 | N323 R324 L330 D331 | N323-D327 VanDerWaalsContact O-CG 3.28Å; N323-D327 PolarHBondContact O-N 2.96Å; R324-D327 PolarHBondContact O-N 3.34Å; D327-L330 PolarHBondContact O-N 2.89Å; D327-D331 WeakPolarHBondContact O-CB 3.37Å; D327-D331 PolarHBondContact O-N 2.92Å |
| 328 | L | 97 | Very high | 93.6 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 175.7 | -69.6 | 172.9 | 0 | 0 | 0 | 111.8 | E191 L192 R324 L325 R326 L330 D331 I332 | E191-L328 HydrophobicContact CB-CD1 4.29Å; E191-L328 HydrophobicContact CB-CD2 4.14Å; E191-L328 HydrophobicContact CG-CD1 3.82Å; E191-L328 HydrophobicContact CG-CD2 4.29Å; L192-L328 HydrophobicContact CB-CB 4.25Å; L192-L328 HydrophobicContact CD1-CB 4.11Å; R324-L328 HydrophobicContact CG-CD1 4.26Å; R324-L328 VanDerWaalsContact O-CG 3.28Å; R324-L328 WeakPolarHBondContact O-CG 3.43Å; R324-L328 PolarHBondContact O-N 3.32Å; L325-L328 PolarHBondContact O-N 3.45Å; R326-L328 VanDerWaalsContact C-N 3.33Å; R326-L328 PolarHBondContact O-N 3.28Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 PolarHBondContact O-N 3.26Å; L328-D331 PolarHBondContact O-N 3.47Å; L328-I332 VanDerWaalsContact O-CG1 3.26Å; L328-I332 WeakPolarHBondContact O-CG1 3.32Å; L328-I332 PolarHBondContact O-N 2.95Å |
| 329 | L | 96.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 177.7 | -72.4 | 167 | 0 | 0 | 0 | 111.8 | L192 L325 R326 I332 D333 I414 L417 L421 | L192-L329 HydrophobicContact CD1-CD2 3.88Å; L192-L329 HydrophobicContact CD1-CG 4.1Å; L192-L329 HydrophobicContact CD2-CD2 4.06Å; L325-L329 HydrophobicContact CG-CD1 4.18Å; L325-L329 VanDerWaalsContact O-CG 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.48Å; L325-L329 PolarHBondContact O-N 3.28Å; R326-L329 PolarHBondContact O-N 3.02Å; L329-I332 PolarHBondContact O-N 3.33Å; L329-D333 WeakPolarHBondContact O-CB 3.41Å; L329-D333 PolarHBondContact O-N 3.4Å; L329-I414 HydrophobicContact CB-CG2 4.46Å; L329-I414 HydrophobicContact CD2-CD1 4.14Å; L329-I414 HydrophobicContact CD2-CG2 4.08Å; L329-L417 HydrophobicContact CD1-CB 4.49Å; L329-L417 HydrophobicContact CD2-CB 3.93Å; L329-L417 HydrophobicContact CD2-CD1 4.29Å; L329-L421 HydrophobicContact CD1-CD2 3.82Å |
| 330 | L | 97.2 | Very high | 94.8 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 50% | 0.503 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.4 | -45.5 | 176.9 | 179.8 | 62.3 | 0 | 0 | 0 | 111.7 | R326 D327 L328 I332 D333 Q334 | R326-L330 WeakPolarHBondContact O-CB 3.08Å; R326-L330 PolarHBondContact O-N 2.96Å; D327-L330 PolarHBondContact O-N 2.89Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 PolarHBondContact O-N 3.26Å; L330-I332 PolarHBondContact O-N 3.12Å; L330-D333 PolarHBondContact O-N 3.43Å; L330-Q334 WeakPolarHBondContact O-CG 3Å; L330-Q334 PolarHBondContact O-N 3.47Å |
| 331 | D | 97.6 | Very high | 95.3 | Very high | 55 Ų | 55 | 50.1 Ų | 50.1 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -43.8 | 177.6 | 179.1 | 72.9 | 0 | 0 | 0 | 111.6 | S188 D327 L328 D333 Q334 Q335 | S188-D331 WeakPolarHBondContact CB-OD2 3.41Å; S188-D331 PolarHBondContact OG-OD2 2.93Å; D327-D331 WeakPolarHBondContact O-CB 3.37Å; D327-D331 PolarHBondContact O-N 2.92Å; L328-D331 PolarHBondContact O-N 3.47Å; D331-D333 PolarHBondContact O-N 2.76Å; D331-Q334 WeakPolarHBondContact O-CB 3.25Å; D331-Q334 PolarHBondContact O-N 3.4Å; D331-Q334 VanDerWaalsContact O-N 3.17Å; D331-Q335 WeakPolarHBondContact O-CG 2.97Å; D331-Q335 PolarHBondContact O-N 2.9Å; D331-Q335 PolarHBondContact OD2-NE2 2.92Å |
| 332 | I | 98 | Very high | 95.7 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -38.9 | 176.5 | -65.6 | -60.1 | 0 | 0 | 0 | 111.8 | I155 V159 A189 L192 L328 L329 L330 Q334 Q335 L336 I414 | I155-I332 HydrophobicContact CD1-CD1 4.12Å; I155-I332 HydrophobicContact CG2-CD1 4.23Å; I155-I332 HydrophobicContact CG2-CG2 3.65Å; V159-I332 HydrophobicContact CG2-CG2 4.48Å; A189-I332 HydrophobicContact CB-CD1 3.82Å; L192-I332 HydrophobicContact CD2-CB 4.14Å; L192-I332 HydrophobicContact CD2-CG1 3.68Å; L192-I332 HydrophobicContact CD2-CG2 4.29Å; L328-I332 VanDerWaalsContact O-CG1 3.26Å; L328-I332 WeakPolarHBondContact O-CG1 3.32Å; L328-I332 PolarHBondContact O-N 2.95Å; L329-I332 PolarHBondContact O-N 3.33Å; L330-I332 PolarHBondContact O-N 3.12Å; I332-Q334 VanDerWaalsContact C-N 3.31Å; I332-Q334 PolarHBondContact O-N 3.29Å; I332-Q335 PolarHBondContact O-N 3.38Å; I332-L336 HydrophobicContact CG2-CD1 4.16Å; I332-L336 WeakPolarHBondContact O-CG 3.45Å; I332-L336 PolarHBondContact O-N 3.03Å; I332-I414 HydrophobicContact CG2-CD1 3.72Å; I332-I414 HydrophobicContact CG2-CG1 3.86Å |
| 333 | D | 98.1 | Very high | 96.2 | Very high | 36 Ų | 36 | 47.5 Ų | 47.5 | 19% | 0.193 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 173.3 | -170 | 72.3 | 0 | 0 | 0 | 112.2 | L329 L330 D331 L336 T337 K411 I414 | L329-D333 WeakPolarHBondContact O-CB 3.41Å; L329-D333 PolarHBondContact O-N 3.4Å; L330-D333 PolarHBondContact O-N 3.43Å; D331-D333 PolarHBondContact O-N 2.76Å; D333-L336 PolarHBondContact O-N 2.98Å; D333-T337 WeakPolarHBondContact O-CB 3.49Å; D333-T337 PolarHBondContact O-N 3.25Å; D333-T337 PolarHBondContact O-OG1 2.7Å; D333-K411 PolarHBondContact O-NZ 3Å; D333-K411 IonicContact OD1-NZ 3.41Å; D333-K411 PolarHBondContact OD1-NZ 3Å; D333-K411 IonicContact OD2-NZ 3.18Å; D333-K411 PolarHBondContact OD2-NZ 2.97Å; D333-I414 HydrophobicContact CB-CG2 4.23Å |
| 334 | Q | 97.9 | Very high | 96.4 | Very high | 109 Ų | 109 | 47.5 Ų | 47.5 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.1 | -43.7 | 175.8 | -71.1 | 176.1 | 8.5 | 0 | 0 | 111.9 | L330 D331 I332 L336 T337 R338 | L330-Q334 WeakPolarHBondContact O-CG 3Å; L330-Q334 PolarHBondContact O-N 3.47Å; D331-Q334 WeakPolarHBondContact O-CB 3.25Å; D331-Q334 PolarHBondContact O-N 3.4Å; D331-Q334 VanDerWaalsContact O-N 3.17Å; I332-Q334 VanDerWaalsContact C-N 3.31Å; I332-Q334 PolarHBondContact O-N 3.29Å; Q334-L336 PolarHBondContact O-N 3.41Å; Q334-T337 WeakPolarHBondContact O-CB 3.19Å; Q334-T337 PolarHBondContact O-N 2.91Å; Q334-R338 PolarHBondContact O-N 2.79Å |
| 335 | Q | 97.5 | Very high | 96.5 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 175.9 | -70.7 | -171.6 | 59.8 | 0 | 0 | 111.8 | N151 I155 S188 D331 I332 R338 G339 | N151-Q335 PolarHBondContact ND2-OE1 3.39Å; N151-Q335 PolarHBondContact OD1-OE1 3.15Å; I155-Q335 HydrophobicContact CG1-CB 4.22Å; S188-Q335 PolarHBondContact OG-NE2 2.67Å; D331-Q335 WeakPolarHBondContact O-CG 2.97Å; D331-Q335 PolarHBondContact O-N 2.9Å; D331-Q335 PolarHBondContact OD2-NE2 2.92Å; I332-Q335 PolarHBondContact O-N 3.38Å; Q335-R338 WeakPolarHBondContact O-CB 3.12Å; Q335-R338 PolarHBondContact O-N 3.2Å; Q335-G339 PolarHBondContact O-N 2.96Å |
| 336 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -38.1 | 175.1 | -71.3 | 169 | 0 | 0 | 0 | 112.4 | I155 I332 D333 Q334 R338 G339 L340 L407 A410 K411 I414 | I155-L336 HydrophobicContact CB-CD2 4.16Å; I155-L336 HydrophobicContact CG2-CD1 4.31Å; I155-L336 HydrophobicContact CG2-CD2 3.8Å; I155-L336 HydrophobicContact CG2-CG 3.76Å; I332-L336 HydrophobicContact CG2-CD1 4.16Å; I332-L336 WeakPolarHBondContact O-CG 3.45Å; I332-L336 PolarHBondContact O-N 3.03Å; D333-L336 PolarHBondContact O-N 2.98Å; Q334-L336 PolarHBondContact O-N 3.41Å; L336-R338 VanDerWaalsContact C-N 3.34Å; L336-G339 PolarHBondContact O-N 2.78Å; L336-L340 WeakPolarHBondContact O-CB 2.97Å; L336-L340 PolarHBondContact O-N 3.06Å; L336-L407 HydrophobicContact CD2-CD2 4.11Å; L336-A410 HydrophobicContact CD1-CB 3.88Å; L336-A410 HydrophobicContact CD2-CB 3.79Å; L336-K411 HydrophobicContact CB-CD 4.18Å; L336-K411 HydrophobicContact CB-CG 3.58Å; L336-K411 HydrophobicContact CD1-CG 3.89Å; L336-K411 HydrophobicContact CG-CG 4.33Å; L336-I414 HydrophobicContact CD1-CG1 4.03Å |
| 337 | T | 98 | Very high | 96.7 | Very high | 46 Ų | 46 | 48.2 Ų | 48.2 | 28% | 0.282 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 174.9 | -58 | 0 | 0 | 0 | 0 | 111.3 | D333 Q334 L340 N341 K411 | D333-T337 WeakPolarHBondContact O-CB 3.49Å; D333-T337 PolarHBondContact O-N 3.25Å; D333-T337 PolarHBondContact O-OG1 2.7Å; Q334-T337 WeakPolarHBondContact O-CB 3.19Å; Q334-T337 PolarHBondContact O-N 2.91Å; T337-L340 PolarHBondContact O-N 3.24Å; T337-N341 WeakPolarHBondContact O-CB 3.47Å; T337-N341 VanDerWaalsContact O-CG 3.28Å; T337-N341 PolarHBondContact O-N 2.72Å; T337-N341 PolarHBondContact O-ND2 2.9Å; T337-K411 PolarHBondContact OG1-NZ 3.47Å |
| 338 | R | 96.8 | Very high | 96.7 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 25% | 0.253 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.4 | -47.2 | 173.5 | 179.2 | 175.5 | 63.6 | 171.6 | -1.2 | 111.1 | N151 Q334 Q335 L336 L340 N341 Q342 | N151-R338 PolarHBondContact OD1-NH2 3.44Å; Q334-R338 PolarHBondContact O-N 2.79Å; Q335-R338 WeakPolarHBondContact O-CB 3.12Å; Q335-R338 PolarHBondContact O-N 3.2Å; L336-R338 VanDerWaalsContact C-N 3.34Å; R338-L340 VanDerWaalsContact C-N 3.34Å; R338-L340 PolarHBondContact O-N 3.47Å; R338-N341 PolarHBondContact O-N 2.75Å; R338-Q342 WeakPolarHBondContact O-CG 3.13Å; R338-Q342 PolarHBondContact O-N 2.86Å |
| 339 | G | 96.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q335 L336 N341 Q342 C343 | Q335-G339 PolarHBondContact O-N 2.96Å; L336-G339 PolarHBondContact O-N 2.78Å; G339-N341 PolarHBondContact O-N 3.06Å; G339-Q342 WeakPolarHBondContact O-CB 3.17Å; G339-Q342 PolarHBondContact O-N 3.45Å; G339-C343 WeakPolarHBondContact O-CB 3.42Å; G339-C343 PolarHBondContact O-N 2.99Å |
| 340 | L | 97.5 | Very high | 96.5 | Very high | 27 Ų | 27 | 53 Ų | 53 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.7 | -177.4 | 62.5 | 0 | 0 | 0 | 111.9 | L336 T337 R338 Q342 C343 L344 K404 Q408 | L336-L340 WeakPolarHBondContact O-CB 2.97Å; L336-L340 PolarHBondContact O-N 3.06Å; T337-L340 PolarHBondContact O-N 3.24Å; R338-L340 VanDerWaalsContact C-N 3.34Å; R338-L340 PolarHBondContact O-N 3.47Å; L340-Q342 VanDerWaalsContact C-N 3.35Å; L340-C343 WeakPolarHBondContact O-CB 3.34Å; L340-C343 PolarHBondContact O-N 2.77Å; L340-L344 HydrophobicContact CG-CD1 4.32Å; L340-L344 VanDerWaalsContact O-CG 3.3Å; L340-L344 WeakPolarHBondContact O-CG 3.47Å; L340-L344 PolarHBondContact O-N 3.4Å; L340-K404 HydrophobicContact CD1-CB 4.49Å; L340-K404 HydrophobicContact CD1-CD 4.48Å; L340-K404 HydrophobicContact CD1-CG 3.82Å; L340-Q408 HydrophobicContact CD1-CG 4.49Å |
| 341 | N | 97.3 | Very high | 96.5 | Very high | 94 Ų | 94 | 51.2 Ų | 51.2 | 50% | 0.503 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 176 | -71.3 | -21.1 | 0 | 0 | 0 | 111.6 | T337 R338 G339 L344 H345 | T337-N341 WeakPolarHBondContact O-CB 3.47Å; T337-N341 VanDerWaalsContact O-CG 3.28Å; T337-N341 PolarHBondContact O-N 2.72Å; T337-N341 PolarHBondContact O-ND2 2.9Å; R338-N341 PolarHBondContact O-N 2.75Å; G339-N341 PolarHBondContact O-N 3.06Å; N341-L344 PolarHBondContact O-N 3.16Å; N341-H345 VanDerWaalsContact O-CB 3.3Å; N341-H345 WeakPolarHBondContact O-CB 3.43Å; N341-H345 PolarHBondContact O-N 2.88Å |
| 342 | Q | 94.9 | Very high | 96.5 | Very high | 57 Ų | 57 | 51.9 Ų | 51.9 | 27% | 0.266 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 173.7 | -72.7 | 172.2 | -15.9 | 0 | 0 | 111.7 | R338 G339 L340 L344 H345 G346 | R338-Q342 WeakPolarHBondContact O-CG 3.13Å; R338-Q342 PolarHBondContact O-N 2.86Å; G339-Q342 WeakPolarHBondContact O-CB 3.17Å; G339-Q342 PolarHBondContact O-N 3.45Å; L340-Q342 VanDerWaalsContact C-N 3.35Å; Q342-L344 PolarHBondContact O-N 3.07Å; Q342-H345 PolarHBondContact O-N 3.19Å; Q342-G346 PolarHBondContact O-N 3.34Å |
| 343 | C | 95.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 175.2 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | G339 L340 G346 R347 R400 E403 L407 | G339-C343 WeakPolarHBondContact O-CB 3.42Å; G339-C343 PolarHBondContact O-N 2.99Å; L340-C343 WeakPolarHBondContact O-CB 3.34Å; L340-C343 PolarHBondContact O-N 2.77Å; C343-G346 PolarHBondContact O-N 2.93Å; C343-R347 WeakPolarHBondContact O-CB 3.49Å; C343-R347 PolarHBondContact O-N 2.78Å; C343-R400 PolarHBondContact SG-O 3.05Å; C343-R400 VanDerWaalsContact SG-O 3.35Å; C343-E403 HydrophobicContact CB-CG 4.25Å; C343-E403 VanDerWaalsContact CB-OE1 3.28Å; C343-E403 WeakPolarHBondContact CB-OE1 3.38Å; C343-E403 VanDerWaalsContact SG-CD 3.57Å; C343-L407 HydrophobicContact CB-CD1 4.12Å |
| 344 | L | 95.9 | Very high | 96.4 | Very high | 71 Ų | 71 | 56.4 Ų | 56.4 | 37% | 0.372 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 180 | -68.7 | 174.1 | 0 | 0 | 0 | 111.8 | L340 N341 Q342 R347 V348 K404 | L340-L344 HydrophobicContact CG-CD1 4.32Å; L340-L344 VanDerWaalsContact O-CG 3.3Å; L340-L344 WeakPolarHBondContact O-CG 3.47Å; L340-L344 PolarHBondContact O-N 3.4Å; N341-L344 PolarHBondContact O-N 3.16Å; Q342-L344 PolarHBondContact O-N 3.07Å; L344-R347 WeakPolarHBondContact O-CB 3.42Å; L344-R347 PolarHBondContact O-N 2.76Å; L344-V348 PolarHBondContact O-N 2.68Å; L344-V348 VanDerWaalsContact O-N 3.13Å; L344-K404 HydrophobicContact CD2-CD 4.4Å |
| 345 | H | 95.4 | Very high | 96.3 | Very high | 131 Ų | 131 | 57 Ų | 57 | 61% | 0.606 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.2 | -45.8 | 176 | -177.1 | 76.5 | 0 | 0 | 0 | 111.6 | N341 Q342 R347 V348 L349 | N341-H345 VanDerWaalsContact O-CB 3.3Å; N341-H345 WeakPolarHBondContact O-CB 3.43Å; N341-H345 PolarHBondContact O-N 2.88Å; Q342-H345 PolarHBondContact O-N 3.19Å; H345-R347 VanDerWaalsContact C-N 3.3Å; H345-R347 PolarHBondContact O-N 2.82Å; H345-V348 PolarHBondContact O-N 3.39Å; H345-L349 PolarHBondContact O-N 3.43Å |
| 346 | G | 93.5 | Very high | 96.4 | Very high | 7 Ų | 7 | 58.9 Ų | 58.9 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q342 C343 L349 H350 | Q342-G346 PolarHBondContact O-N 3.34Å; C343-G346 PolarHBondContact O-N 2.93Å; G346-L349 PolarHBondContact O-N 2.96Å; G346-H350 PolarHBondContact O-N 3.33Å |
| 347 | R | 95 | Very high | 96.3 | Very high | 85 Ų | 85 | 59.7 Ų | 59.7 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.2 | -49 | 173.1 | -173.6 | -174.3 | 170.9 | 135.9 | -4.1 | 111.5 | C343 L344 H345 H350 L351 S396 R400 | C343-R347 WeakPolarHBondContact O-CB 3.49Å; C343-R347 PolarHBondContact O-N 2.78Å; L344-R347 WeakPolarHBondContact O-CB 3.42Å; L344-R347 PolarHBondContact O-N 2.76Å; H345-R347 VanDerWaalsContact C-N 3.3Å; H345-R347 PolarHBondContact O-N 2.82Å; R347-H350 PolarHBondContact O-N 3Å; R347-L351 HydrophobicContact CG-CD1 4.32Å; R347-L351 WeakPolarHBondContact O-CG 3.33Å; R347-L351 PolarHBondContact O-N 2.91Å; R347-L351 VanDerWaalsContact O-N 3.09Å; R347-S396 WeakPolarHBondContact CG-OG 3.36Å; R347-S396 PolarHBondContact O-OG 2.97Å; R347-R400 HydrophobicContact CB-CB 4.22Å; R347-R400 HydrophobicContact CB-CG 4.09Å; R347-R400 HydrophobicContact CG-CB 4.43Å |
| 348 | V | 96.5 | Very high | 96.3 | Very high | 92 Ų | 92 | 60.5 Ų | 60.5 | 56% | 0.558 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.7 | -47.4 | 178 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | L344 H345 H350 L351 T352 | L344-V348 PolarHBondContact O-N 2.68Å; L344-V348 VanDerWaalsContact O-N 3.13Å; H345-V348 PolarHBondContact O-N 3.39Å; V348-H350 PolarHBondContact O-N 3.13Å; V348-L351 PolarHBondContact O-N 2.7Å; V348-T352 PolarHBondContact O-N 3.19Å; V348-T352 PolarHBondContact O-OG1 2.75Å |
| 349 | L | 95 | Very high | 96.3 | Very high | 77 Ų | 77 | 63.7 Ų | 63.7 | 40% | 0.403 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.1 | -47 | 179.2 | -176.7 | 63.3 | 0 | 0 | 0 | 112.4 | H345 G346 L351 T352 W353 | H345-L349 PolarHBondContact O-N 3.43Å; G346-L349 PolarHBondContact O-N 2.96Å; L349-L351 VanDerWaalsContact C-N 3.35Å; L349-L351 PolarHBondContact O-N 3.37Å; L349-T352 PolarHBondContact O-N 3.27Å; L349-W353 VanDerWaalsContact O-CD1 3.25Å; L349-W353 PolarHBondContact O-N 2.54Å |
| 350 | H | 94.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 67.2 Ų | 67.2 | 13% | 0.13 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.8 | -40 | 178.1 | -73.3 | -179.1 | 0 | 0 | 0 | 112.5 | G346 R347 V348 W353 A354 L392 | G346-H350 PolarHBondContact O-N 3.33Å; R347-H350 PolarHBondContact O-N 3Å; V348-H350 PolarHBondContact O-N 3.13Å; H350-W353 PolarHBondContact O-N 2.91Å; H350-A354 WeakPolarHBondContact O-CB 3.37Å; H350-A354 PolarHBondContact O-N 2.79Å; H350-L392 HydrophobicContact CB-CD2 4.12Å |
| 351 | L | 96 | Very high | 96.2 | Very high | 58 Ų | 58 | 67.7 Ų | 67.7 | 30% | 0.304 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 177.1 | -68.1 | 174.7 | 0 | 0 | 0 | 111.7 | R347 V348 L349 A354 I355 S396 | R347-L351 HydrophobicContact CG-CD1 4.32Å; R347-L351 WeakPolarHBondContact O-CG 3.33Å; R347-L351 PolarHBondContact O-N 2.91Å; R347-L351 VanDerWaalsContact O-N 3.09Å; V348-L351 PolarHBondContact O-N 2.7Å; L349-L351 VanDerWaalsContact C-N 3.35Å; L349-L351 PolarHBondContact O-N 3.37Å; L351-A354 PolarHBondContact O-N 3.18Å; L351-I355 WeakPolarHBondContact O-CG1 3.49Å; L351-I355 PolarHBondContact O-N 3.07Å; L351-S396 VanDerWaalsContact CG-OG 3.3Å; L351-S396 WeakPolarHBondContact CG-OG 3.32Å |
| 352 | T | 97.3 | Very high | 96 | Very high | 68 Ų | 68 | 66.3 Ų | 66.3 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 174.1 | -59.3 | 0 | 0 | 0 | 0 | 111 | V348 L349 A354 I355 I356 | V348-T352 PolarHBondContact O-N 3.19Å; V348-T352 PolarHBondContact O-OG1 2.75Å; L349-T352 PolarHBondContact O-N 3.27Å; T352-A354 PolarHBondContact O-N 2.68Å; T352-I355 PolarHBondContact O-N 2.7Å; T352-I356 HydrophobicContact CG2-CD1 4.24Å; T352-I356 WeakPolarHBondContact O-CG1 3.47Å; T352-I356 PolarHBondContact O-N 2.52Å; T352-I356 VanDerWaalsContact O-N 3.07Å |
| 353 | W | 97 | Very high | 96 | Very high | 130 Ų | 130 | 66.4 Ų | 66.4 | 49% | 0.492 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 175.7 | -78.2 | 116.7 | 0 | 0 | 0 | 113 | L349 H350 I355 I356 I357 L392 | L349-W353 VanDerWaalsContact O-CD1 3.25Å; L349-W353 PolarHBondContact O-N 2.54Å; H350-W353 PolarHBondContact O-N 2.91Å; W353-I355 VanDerWaalsContact C-N 3.31Å; W353-I355 PolarHBondContact O-N 3.3Å; W353-I356 HydrophobicContact CD2-CD1 4.42Å; W353-I356 HydrophobicContact CE3-CB 4.34Å; W353-I356 HydrophobicContact CE3-CD1 3.83Å; W353-I356 HydrophobicContact CE3-CG2 4.35Å; W353-I356 HydrophobicContact CZ3-CD1 4.01Å; W353-I356 HydrophobicContact CZ3-CG2 4.37Å; W353-I356 PolarHBondContact O-N 3.05Å; W353-I357 WeakPolarHBondContact O-CG1 3.4Å; W353-I357 PolarHBondContact O-N 3.33Å; W353-L392 HydrophobicContact CB-CD1 3.76Å; W353-L392 HydrophobicContact CB-CD2 4.5Å |
| 354 | A | 97.1 | Very high | 95.9 | Very high | 5 Ų | 5 | 67.7 Ų | 67.7 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H350 L351 T352 I357 T358 L389 L392 I393 | H350-A354 WeakPolarHBondContact O-CB 3.37Å; H350-A354 PolarHBondContact O-N 2.79Å; L351-A354 PolarHBondContact O-N 3.18Å; T352-A354 PolarHBondContact O-N 2.68Å; A354-I357 PolarHBondContact O-N 2.62Å; A354-T358 WeakPolarHBondContact O-CB 3.34Å; A354-T358 PolarHBondContact O-N 3.16Å; A354-T358 PolarHBondContact O-OG1 3.39Å; A354-L389 HydrophobicContact CB-CD1 3.71Å; A354-L389 VanDerWaalsContact O-CD1 3.26Å; A354-L389 WeakPolarHBondContact O-CD1 3.24Å; A354-L392 HydrophobicContact CB-CB 4.22Å; A354-I393 HydrophobicContact CB-CG1 3.92Å |
| 355 | I | 97.5 | Very high | 95.6 | Very high | 121 Ų | 121 | 69.4 Ų | 69.4 | 62% | 0.621 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.8 | -45.5 | 175.2 | -68 | 164.3 | 0 | 0 | 0 | 110.7 | L351 T352 W353 I357 T358 F359 | L351-I355 WeakPolarHBondContact O-CG1 3.49Å; L351-I355 PolarHBondContact O-N 3.07Å; T352-I355 PolarHBondContact O-N 2.7Å; W353-I355 VanDerWaalsContact C-N 3.31Å; W353-I355 PolarHBondContact O-N 3.3Å; I355-I357 PolarHBondContact O-N 3.15Å; I355-T358 WeakPolarHBondContact O-CB 3.24Å; I355-T358 PolarHBondContact O-N 3.32Å; I355-F359 PolarHBondContact O-N 2.86Å |
| 356 | I | 97.8 | Very high | 95.5 | Very high | 69 Ų | 69 | 70.1 Ų | 70.1 | 35% | 0.354 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 178.1 | -66.8 | 166.7 | 0 | 0 | 0 | 110.8 | T352 W353 T358 F359 L360 | T352-I356 HydrophobicContact CG2-CD1 4.24Å; T352-I356 WeakPolarHBondContact O-CG1 3.47Å; T352-I356 PolarHBondContact O-N 2.52Å; T352-I356 VanDerWaalsContact O-N 3.07Å; W353-I356 HydrophobicContact CD2-CD1 4.42Å; W353-I356 HydrophobicContact CE3-CB 4.34Å; W353-I356 HydrophobicContact CE3-CD1 3.83Å; W353-I356 HydrophobicContact CE3-CG2 4.35Å; W353-I356 HydrophobicContact CZ3-CD1 4.01Å; W353-I356 HydrophobicContact CZ3-CG2 4.37Å; W353-I356 PolarHBondContact O-N 3.05Å; I356-T358 VanDerWaalsContact C-N 3.33Å; I356-T358 PolarHBondContact O-N 2.79Å; I356-F359 WeakPolarHBondContact O-CB 3.26Å; I356-F359 PolarHBondContact O-N 2.9Å; I356-L360 HydrophobicContact CG2-CD1 4.31Å; I356-L360 WeakPolarHBondContact O-CG 3.01Å; I356-L360 PolarHBondContact O-N 2.88Å |
| 357 | I | 97.1 | Very high | 95.3 | Very high | 16 Ų | 16 | 75.9 Ų | 75.9 | 8% | 0.082 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 179.2 | -67.7 | 176.4 | 0 | 0 | 0 | 111.3 | W353 A354 I355 F359 L360 L361 L385 I388 L389 L392 | W353-I357 WeakPolarHBondContact O-CG1 3.4Å; W353-I357 PolarHBondContact O-N 3.33Å; A354-I357 PolarHBondContact O-N 2.62Å; I355-I357 PolarHBondContact O-N 3.15Å; I357-F359 VanDerWaalsContact C-N 3.31Å; I357-F359 PolarHBondContact O-N 3.43Å; I357-L360 PolarHBondContact O-N 2.95Å; I357-L361 HydrophobicContact CG2-CD1 4.12Å; I357-L361 HydrophobicContact CG2-CG 4.45Å; I357-L361 WeakPolarHBondContact O-CG 3.34Å; I357-L361 PolarHBondContact O-N 2.91Å; I357-L385 HydrophobicContact CG2-CB 4.11Å; I357-L385 HydrophobicContact CG2-CD2 4.19Å; I357-I388 HydrophobicContact CD1-CB 4.25Å; I357-I388 HydrophobicContact CD1-CG2 3.44Å; I357-I388 VanDerWaalsContact CD1-CG2 3.44Å; I357-L389 HydrophobicContact CB-CD1 4.46Å; I357-L389 HydrophobicContact CG2-CB 3.95Å; I357-L389 HydrophobicContact CG2-CD1 4.45Å; I357-L392 HydrophobicContact CD1-CD1 3.71Å |
| 358 | T | 97.2 | Very high | 95 | Very high | 63 Ų | 63 | 81 Ų | 81 | 39% | 0.387 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 174.5 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | A354 I355 I356 L361 V362 | A354-T358 WeakPolarHBondContact O-CB 3.34Å; A354-T358 PolarHBondContact O-N 3.16Å; A354-T358 PolarHBondContact O-OG1 3.39Å; I355-T358 WeakPolarHBondContact O-CB 3.24Å; I355-T358 PolarHBondContact O-N 3.32Å; I356-T358 VanDerWaalsContact C-N 3.33Å; I356-T358 PolarHBondContact O-N 2.79Å; T358-L361 PolarHBondContact O-N 3.29Å; T358-V362 WeakPolarHBondContact O-CG2 3.47Å; T358-V362 PolarHBondContact O-N 3.43Å |
| 359 | F | 96.9 | Very high | 94.7 | Very high | 135 Ų | 135 | 79 Ų | 79 | 59% | 0.592 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 176.1 | -177.3 | -108.3 | 0 | 0 | 0 | 112.4 | I355 I356 I357 L361 V362 I363 | I355-F359 PolarHBondContact O-N 2.86Å; I356-F359 WeakPolarHBondContact O-CB 3.26Å; I356-F359 PolarHBondContact O-N 2.9Å; I357-F359 VanDerWaalsContact C-N 3.31Å; I357-F359 PolarHBondContact O-N 3.43Å; F359-L361 PolarHBondContact O-N 2.93Å; F359-V362 PolarHBondContact O-N 2.82Å; F359-I363 HydrophobicContact CD1-CD1 3.66Å; F359-I363 HydrophobicContact CE1-CD1 3.23Å; F359-I363 HydrophobicContact CE1-CG1 4.2Å; F359-I363 HydrophobicContact CE2-CD1 4.42Å; F359-I363 HydrophobicContact CG-CD1 4.43Å; F359-I363 HydrophobicContact CZ-CD1 3.66Å; F359-I363 HydrophobicContact CZ-CG1 4.24Å; F359-I363 WeakPolarHBondContact O-CG1 3.32Å; F359-I363 PolarHBondContact O-N 3.32Å |
| 360 | L | 95.8 | Very high | 94.5 | Very high | 76 Ų | 76 | 83.1 Ų | 83.1 | 40% | 0.398 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 174.6 | -69.6 | 173.2 | 0 | 0 | 0 | 112.1 | I356 I357 V362 I363 L364 | I356-L360 HydrophobicContact CG2-CD1 4.31Å; I356-L360 WeakPolarHBondContact O-CG 3.01Å; I356-L360 PolarHBondContact O-N 2.88Å; I357-L360 PolarHBondContact O-N 2.95Å; L360-V362 VanDerWaalsContact C-N 3.34Å; L360-V362 PolarHBondContact O-N 3.33Å; L360-I363 PolarHBondContact O-N 3.16Å; L360-L364 WeakPolarHBondContact O-CG 3.15Å; L360-L364 PolarHBondContact O-N 3.39Å |
| 361 | L | 95.8 | Very high | 94.5 | Very high | 36 Ų | 36 | 85.2 Ų | 85.2 | 19% | 0.188 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 175.2 | -77.2 | 168.7 | 0 | 0 | 0 | 111.7 | I357 T358 F359 I363 L364 I365 E382 L385 L389 | I357-L361 HydrophobicContact CG2-CD1 4.12Å; I357-L361 HydrophobicContact CG2-CG 4.45Å; I357-L361 WeakPolarHBondContact O-CG 3.34Å; I357-L361 PolarHBondContact O-N 2.91Å; T358-L361 PolarHBondContact O-N 3.29Å; F359-L361 PolarHBondContact O-N 2.93Å; L361-I363 VanDerWaalsContact C-N 3.35Å; L361-I363 PolarHBondContact O-N 3.38Å; L361-L364 HydrophobicContact CD2-CD1 4.47Å; L361-L364 PolarHBondContact O-N 3.31Å; L361-I365 WeakPolarHBondContact O-CG1 3.38Å; L361-I365 PolarHBondContact O-N 2.96Å; L361-E382 HydrophobicContact CD2-CB 4.37Å; L361-E382 HydrophobicContact CD2-CG 4.36Å; L361-L385 HydrophobicContact CD1-CB 4.39Å; L361-L385 HydrophobicContact CD2-CB 3.79Å; L361-L385 HydrophobicContact CD2-CD1 4.05Å; L361-L385 HydrophobicContact CG-CB 4.11Å; L361-L385 HydrophobicContact CG-CD1 4.27Å; L361-L389 HydrophobicContact CD1-CD2 3.82Å |
| 362 | V | 95.1 | Very high | 94.4 | Very high | 66 Ų | 66 | 92.9 Ų | 92.9 | 40% | 0.4 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 175.1 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | T358 F359 L360 L364 I365 F366 | T358-V362 WeakPolarHBondContact O-CG2 3.47Å; T358-V362 PolarHBondContact O-N 3.43Å; F359-V362 PolarHBondContact O-N 2.82Å; L360-V362 VanDerWaalsContact C-N 3.34Å; L360-V362 PolarHBondContact O-N 3.33Å; V362-L364 VanDerWaalsContact C-N 3.33Å; V362-L364 PolarHBondContact O-N 3.47Å; V362-I365 WeakPolarHBondContact O-CB 3.21Å; V362-I365 PolarHBondContact O-N 3.09Å; V362-F366 HydrophobicContact CG1-CE2 4.04Å; V362-F366 WeakPolarHBondContact O-CD2 3.42Å; V362-F366 WeakPolarHBondContact O-CE2 3.3Å |
| 363 | I | 94 | Very high | 94.2 | Very high | 59 Ų | 59 | 96.4 Ų | 96.4 | 30% | 0.303 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 174.8 | -73.9 | 170.3 | 0 | 0 | 0 | 111 | F359 L360 L361 I365 F366 F367 | F359-I363 HydrophobicContact CD1-CD1 3.66Å; F359-I363 HydrophobicContact CE1-CD1 3.23Å; F359-I363 HydrophobicContact CE1-CG1 4.2Å; F359-I363 HydrophobicContact CE2-CD1 4.42Å; F359-I363 HydrophobicContact CG-CD1 4.43Å; F359-I363 HydrophobicContact CZ-CD1 3.66Å; F359-I363 HydrophobicContact CZ-CG1 4.24Å; F359-I363 WeakPolarHBondContact O-CG1 3.32Å; F359-I363 PolarHBondContact O-N 3.32Å; L360-I363 PolarHBondContact O-N 3.16Å; L361-I363 VanDerWaalsContact C-N 3.35Å; L361-I363 PolarHBondContact O-N 3.38Å; I363-I365 PolarHBondContact O-N 3.19Å; I363-F366 PolarHBondContact O-N 3.13Å; I363-F367 HydrophobicContact CG2-CD2 3.88Å; I363-F367 HydrophobicContact CG2-CE2 3.49Å; I363-F367 VanDerWaalsContact CG2-CE2 3.49Å; I363-F367 WeakPolarHBondContact O-CD2 3.18Å |
| 364 | L | 93 | Very high | 94 | Very high | 29 Ų | 29 | 92.7 Ų | 92.7 | 15% | 0.152 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61.5 | -26.8 | -180 | -71.9 | 169.6 | 0 | 0 | 0 | 113.1 | L360 L361 V362 F366 F367 K378 F381 E382 L385 | L360-L364 WeakPolarHBondContact O-CG 3.15Å; L360-L364 PolarHBondContact O-N 3.39Å; L361-L364 HydrophobicContact CD2-CD1 4.47Å; L361-L364 PolarHBondContact O-N 3.31Å; V362-L364 VanDerWaalsContact C-N 3.33Å; V362-L364 PolarHBondContact O-N 3.47Å; L364-F366 PolarHBondContact O-N 3.46Å; L364-F367 PolarHBondContact O-N 3.22Å; L364-F367 VanDerWaalsContact O-N 3.14Å; L364-K378 WeakPolarHBondContact O-CE 3.45Å; L364-K378 PolarHBondContact O-NZ 3.32Å; L364-F381 HydrophobicContact CD1-CD1 3.72Å; L364-F381 HydrophobicContact CD1-CE1 3.8Å; L364-F381 HydrophobicContact CD2-CD1 4.42Å; L364-E382 HydrophobicContact CB-CG 4.47Å; L364-E382 HydrophobicContact CD1-CG 4.07Å; L364-L385 HydrophobicContact CD1-CD1 3.76Å |
| 365 | I | 90.7 | Very high | 93.9 | Very high | 106 Ų | 106 | 94.7 Ų | 94.7 | 54% | 0.544 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.5 | -34.4 | 173.5 | -65.4 | 170.5 | 0 | 0 | 0 | 111.2 | L361 V362 I363 | L361-I365 WeakPolarHBondContact O-CG1 3.38Å; L361-I365 PolarHBondContact O-N 2.96Å; V362-I365 WeakPolarHBondContact O-CB 3.21Å; V362-I365 PolarHBondContact O-N 3.09Å; I363-I365 PolarHBondContact O-N 3.19Å |
| 366 | F | 92.1 | Very high | 93.8 | Very high | 146 Ų | 146 | 93.8 Ų | 93.8 | 64% | 0.64 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -7.2 | -178.7 | -59.1 | -74.2 | 0 | 0 | 0 | 114 | V362 I363 L364 | V362-F366 HydrophobicContact CG1-CE2 4.04Å; V362-F366 WeakPolarHBondContact O-CD2 3.42Å; V362-F366 WeakPolarHBondContact O-CE2 3.3Å; I363-F366 PolarHBondContact O-N 3.13Å; L364-F366 PolarHBondContact O-N 3.46Å |
| 367 | F | 89.2 | Confident | 93.6 | Very high | 129 Ų | 129 | 94.6 Ų | 94.6 | 57% | 0.566 | 46% | 0.459 | S | S | * | . | trans | -89.5 | 112.7 | 175.8 | -83.3 | -78.7 | 0 | 0 | 0 | 110.9 | I363 L364 K378 | I363-F367 HydrophobicContact CG2-CD2 3.88Å; I363-F367 HydrophobicContact CG2-CE2 3.49Å; I363-F367 VanDerWaalsContact CG2-CE2 3.49Å; I363-F367 WeakPolarHBondContact O-CD2 3.18Å; L364-F367 PolarHBondContact O-N 3.22Å; L364-F367 VanDerWaalsContact O-N 3.14Å; F367-K378 WeakPolarHBondContact O-CE 3.29Å; F367-K378 PolarHBondContact O-NZ 2.84Å | ||
| 368 | Y | 88.7 | Confident | 93.5 | Very high | 192 Ų | 192 | 95.9 Ų | 95.9 | 75% | 0.753 | 46% | 0.464 | S | S | * | . | trans | -93.4 | 118.7 | 175 | -65.6 | -86.3 | 0 | 0 | 0 | 110 | ||||
| 369 | P | 90.4 | Very high | 93.4 | Very high | 49 Ų | 49 | 95.8 Ų | 95.8 | 32% | 0.318 | 47% | 0.466 | S | S | . | . | trans | -67 | 141.1 | 176.5 | 27.9 | -34.1 | 0 | 0 | 0 | 110.9 | T374 S375 | P369-T374 WeakPolarHBondContact CB-OG1 3.39Å; P369-S375 WeakPolarHBondContact CB-OG 3.45Å; P369-S375 WeakPolarHBondContact CG-OG 3.42Å | ||
| 370 | N | 91.4 | Very high | 93.3 | Very high | 164 Ų | 164 | 94.6 Ų | 94.6 | 88% | 0.877 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -81 | -21.4 | -177.2 | -68 | -33 | 0 | 0 | 0 | 113 | T374 | N370-T374 PolarHBondContact N-OG1 2.93Š|
| 371 | D | 94 | Very high | 93.3 | Very high | 72 Ų | 72 | 95.8 Ų | 95.8 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -147 | 169.4 | -173.7 | 69.4 | 85.3 | 0 | 0 | 0 | 111.4 | F373 T374 S375 | D371-F373 VanDerWaalsContact C-N 3.31Å; D371-F373 PolarHBondContact O-N 2.77Å; D371-F373 WeakPolarHBondContact OD1-CA 3.41Å; D371-F373 VanDerWaalsContact OD1-CB 3.22Å; D371-F373 WeakPolarHBondContact OD1-CB 3.3Å; D371-F373 PolarHBondContact OD1-N 2.86Å; D371-T374 PolarHBondContact N-OG1 3.05Å; D371-T374 PolarHBondContact O-OG1 3.17Å; D371-T374 PolarHBondContact OD1-N 2.93Å; D371-T374 PolarHBondContact OD1-OG1 3.1Å; D371-T374 WeakPolarHBondContact OD2-CB 3.13Å; D371-T374 WeakPolarHBondContact OD2-CG2 3.36Å; D371-T374 PolarHBondContact OD2-OG1 2.91Å; D371-S375 WeakPolarHBondContact O-CB 3.32Å; D371-S375 PolarHBondContact O-N 2.99Å; D371-S375 PolarHBondContact O-OG 3.01Å |
| 372 | R | 93.8 | Very high | 93.3 | Very high | 220 Ų | 220 | 96.7 Ų | 96.7 | 83% | 0.83 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.6 | -36 | -177.3 | -69.3 | -176.7 | 179.4 | 165.1 | 0 | 112.7 | S375 I376 | R372-S375 WeakPolarHBondContact O-CB 3.28Å; R372-S375 PolarHBondContact O-N 3.12Å; R372-I376 VanDerWaalsContact O-CG1 3.31Å; R372-I376 WeakPolarHBondContact O-CG1 3.39Å; R372-I376 PolarHBondContact O-N 2.88Å |
| 373 | F | 94.4 | Very high | 93.3 | Very high | 141 Ų | 141 | 98 Ų | 98 | 62% | 0.618 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -70.8 | -46.2 | -178.3 | 176.8 | -102.7 | 0 | 0 | 0 | 110.9 | D371 S375 I376 I377 | D371-F373 VanDerWaalsContact C-N 3.31Å; D371-F373 PolarHBondContact O-N 2.77Å; D371-F373 WeakPolarHBondContact OD1-CA 3.41Å; D371-F373 VanDerWaalsContact OD1-CB 3.22Å; D371-F373 WeakPolarHBondContact OD1-CB 3.3Å; D371-F373 PolarHBondContact OD1-N 2.86Å; F373-S375 PolarHBondContact O-N 3.19Å; F373-I376 PolarHBondContact O-N 3.27Å; F373-I377 HydrophobicContact CD1-CD1 3.82Å; F373-I377 HydrophobicContact CE1-CD1 3.27Å; F373-I377 HydrophobicContact CE1-CG1 4.38Å; F373-I377 HydrophobicContact CE2-CD1 4.17Å; F373-I377 HydrophobicContact CG-CD1 4.48Å; F373-I377 HydrophobicContact CZ-CD1 3.49Å; F373-I377 VanDerWaalsContact CZ-CD1 3.49Å; F373-I377 HydrophobicContact CZ-CG1 4.35Å; F373-I377 PolarHBondContact O-N 3.32Å |
| 374 | T | 93.1 | Very high | 93.4 | Very high | 53 Ų | 53 | 99.7 Ų | 99.7 | 33% | 0.325 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -33.1 | 173.2 | 50.3 | 0 | 0 | 0 | 0 | 112.4 | P369 N370 D371 K378 | P369-T374 WeakPolarHBondContact CB-OG1 3.39Å; N370-T374 PolarHBondContact N-OG1 2.93Å; D371-T374 PolarHBondContact N-OG1 3.05Å; D371-T374 PolarHBondContact O-OG1 3.17Å; D371-T374 PolarHBondContact OD1-N 2.93Å; D371-T374 PolarHBondContact OD1-OG1 3.1Å; D371-T374 WeakPolarHBondContact OD2-CB 3.13Å; D371-T374 WeakPolarHBondContact OD2-CG2 3.36Å; D371-T374 PolarHBondContact OD2-OG1 2.91Å; T374-K378 WeakPolarHBondContact O-CB 3.47Å; T374-K378 PolarHBondContact O-N 3.12Å |
| 375 | S | 94.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 99 Ų | 99 | 32% | 0.322 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 173.5 | -55.7 | 0 | 0 | 0 | 0 | 112.7 | P369 D371 R372 F373 K378 C379 | P369-S375 WeakPolarHBondContact CB-OG 3.45Å; P369-S375 WeakPolarHBondContact CG-OG 3.42Å; D371-S375 WeakPolarHBondContact O-CB 3.32Å; D371-S375 PolarHBondContact O-N 2.99Å; D371-S375 PolarHBondContact O-OG 3.01Å; R372-S375 WeakPolarHBondContact O-CB 3.28Å; R372-S375 PolarHBondContact O-N 3.12Å; F373-S375 PolarHBondContact O-N 3.19Å; S375-K378 PolarHBondContact O-N 3.01Å; S375-C379 WeakPolarHBondContact O-CB 3.34Å; S375-C379 PolarHBondContact O-N 2.97Å |
| 376 | I | 95.4 | Very high | 93.9 | Very high | 103 Ų | 103 | 95.4 Ų | 95.4 | 53% | 0.528 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 178.9 | -68.4 | 164.4 | 0 | 0 | 0 | 110.4 | R372 F373 K378 C379 L380 | R372-I376 VanDerWaalsContact O-CG1 3.31Å; R372-I376 WeakPolarHBondContact O-CG1 3.39Å; R372-I376 PolarHBondContact O-N 2.88Å; F373-I376 PolarHBondContact O-N 3.27Å; I376-K378 VanDerWaalsContact C-N 3.34Å; I376-K378 PolarHBondContact O-N 3.43Å; I376-C379 PolarHBondContact O-N 3.13Å; I376-L380 HydrophobicContact CG2-CD1 4.09Å; I376-L380 HydrophobicContact CG2-CG 4.44Å; I376-L380 WeakPolarHBondContact O-CG 3.07Å; I376-L380 PolarHBondContact O-N 2.68Å |
| 377 | I | 94.3 | Very high | 94.1 | Very high | 85 Ų | 85 | 93 Ų | 93 | 44% | 0.436 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 178.1 | -70.3 | 176.4 | 0 | 0 | 0 | 111 | F373 C379 L380 F381 | F373-I377 HydrophobicContact CD1-CD1 3.82Å; F373-I377 HydrophobicContact CE1-CD1 3.27Å; F373-I377 HydrophobicContact CE1-CG1 4.38Å; F373-I377 HydrophobicContact CE2-CD1 4.17Å; F373-I377 HydrophobicContact CG-CD1 4.48Å; F373-I377 HydrophobicContact CZ-CD1 3.49Å; F373-I377 VanDerWaalsContact CZ-CD1 3.49Å; F373-I377 HydrophobicContact CZ-CG1 4.35Å; F373-I377 PolarHBondContact O-N 3.32Å; I377-C379 VanDerWaalsContact C-N 3.34Å; I377-C379 PolarHBondContact O-N 3.05Å; I377-L380 PolarHBondContact O-N 3.14Å; I377-F381 WeakPolarHBondContact O-CB 3.22Å; I377-F381 PolarHBondContact O-N 3.27Å |
| 378 | K | 94 | Very high | 94.3 | Very high | 43 Ų | 43 | 90.1 Ų | 90.1 | 19% | 0.187 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -57.5 | -48.1 | 177.4 | -176.4 | -173.8 | -174.4 | -107.3 | 0 | 111.4 | L364 F367 T374 S375 I376 L380 F381 E382 | L364-K378 WeakPolarHBondContact O-CE 3.45Å; L364-K378 PolarHBondContact O-NZ 3.32Å; F367-K378 WeakPolarHBondContact O-CE 3.29Å; F367-K378 PolarHBondContact O-NZ 2.84Å; T374-K378 WeakPolarHBondContact O-CB 3.47Å; T374-K378 PolarHBondContact O-N 3.12Å; S375-K378 PolarHBondContact O-N 3.01Å; I376-K378 VanDerWaalsContact C-N 3.34Å; I376-K378 PolarHBondContact O-N 3.43Å; K378-L380 PolarHBondContact O-N 3.27Å; K378-F381 WeakPolarHBondContact O-CB 3.38Å; K378-F381 PolarHBondContact O-N 3.08Å; K378-E382 WeakPolarHBondContact CE-OE1 3.3Å; K378-E382 IonicContact NZ-OE1 2.69Å; K378-E382 PolarHBondContact NZ-OE1 2.79Å; K378-E382 WeakPolarHBondContact O-CG 3.16Å; K378-E382 PolarHBondContact O-N 2.94Å |
| 379 | C | 94.6 | Very high | 94.7 | Very high | 62 Ų | 62 | 82.2 Ų | 82.2 | 42% | 0.419 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 179.3 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | S375 I376 I377 F381 E382 I383 | S375-C379 WeakPolarHBondContact O-CB 3.34Å; S375-C379 PolarHBondContact O-N 2.97Å; I376-C379 PolarHBondContact O-N 3.13Å; I377-C379 VanDerWaalsContact C-N 3.34Å; I377-C379 PolarHBondContact O-N 3.05Å; C379-F381 VanDerWaalsContact C-N 3.3Å; C379-F381 PolarHBondContact O-N 3.47Å; C379-E382 PolarHBondContact O-N 2.73Å; C379-I383 VanDerWaalsContact O-CG1 3.27Å; C379-I383 WeakPolarHBondContact O-CG1 3.47Å; C379-I383 PolarHBondContact O-N 3.49Å |
| 380 | L | 95.7 | Very high | 95 | Very high | 110 Ų | 110 | 86 Ų | 86 | 58% | 0.576 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.3 | -39.5 | 175.7 | -69.1 | 174.7 | 0 | 0 | 0 | 112.1 | I376 I377 K378 I383 L384 | I376-L380 HydrophobicContact CG2-CD1 4.09Å; I376-L380 HydrophobicContact CG2-CG 4.44Å; I376-L380 WeakPolarHBondContact O-CG 3.07Å; I376-L380 PolarHBondContact O-N 2.68Å; I377-L380 PolarHBondContact O-N 3.14Å; K378-L380 PolarHBondContact O-N 3.27Å; L380-I383 PolarHBondContact O-N 3.23Å; L380-L384 PolarHBondContact O-N 2.77Å |
| 381 | F | 95.4 | Very high | 95.1 | Very high | 100 Ų | 100 | 80.9 Ų | 80.9 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.9 | -42.6 | 177 | -173.9 | -117 | 0 | 0 | 0 | 112.4 | L364 I377 K378 C379 L384 L385 | L364-F381 HydrophobicContact CD1-CD1 3.72Å; L364-F381 HydrophobicContact CD1-CE1 3.8Å; L364-F381 HydrophobicContact CD2-CD1 4.42Å; I377-F381 WeakPolarHBondContact O-CB 3.22Å; I377-F381 PolarHBondContact O-N 3.27Å; K378-F381 WeakPolarHBondContact O-CB 3.38Å; K378-F381 PolarHBondContact O-N 3.08Å; C379-F381 VanDerWaalsContact C-N 3.3Å; C379-F381 PolarHBondContact O-N 3.47Å; F381-L384 PolarHBondContact O-N 3.4Å; F381-L385 HydrophobicContact CD1-CD1 4Å; F381-L385 HydrophobicContact CD1-CG 4.48Å; F381-L385 HydrophobicContact CE1-CD1 3.53Å; F381-L385 HydrophobicContact CE1-CG 4.17Å; F381-L385 HydrophobicContact CE2-CD1 4.5Å; F381-L385 HydrophobicContact CE2-CD2 4.43Å; F381-L385 HydrophobicContact CE2-CG 4.3Å; F381-L385 HydrophobicContact CZ-CD1 3.81Å; F381-L385 HydrophobicContact CZ-CD2 4.22Å; F381-L385 HydrophobicContact CZ-CG 4.06Å; F381-L385 WeakPolarHBondContact O-CG 3.33Å; F381-L385 PolarHBondContact O-N 2.9Å |
| 382 | E | 95.6 | Very high | 95.1 | Very high | 56 Ų | 56 | 78.6 Ų | 78.6 | 26% | 0.262 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 174.5 | -73.7 | 170.8 | 169 | 0 | 0 | 111.8 | L361 L364 K378 C379 L385 G386 | L361-E382 HydrophobicContact CD2-CB 4.37Å; L361-E382 HydrophobicContact CD2-CG 4.36Å; L364-E382 HydrophobicContact CB-CG 4.47Å; L364-E382 HydrophobicContact CD1-CG 4.07Å; K378-E382 WeakPolarHBondContact CE-OE1 3.3Å; K378-E382 IonicContact NZ-OE1 2.69Å; K378-E382 PolarHBondContact NZ-OE1 2.79Å; K378-E382 WeakPolarHBondContact O-CG 3.16Å; K378-E382 PolarHBondContact O-N 2.94Å; C379-E382 PolarHBondContact O-N 2.73Å; E382-L385 PolarHBondContact O-N 2.94Å; E382-G386 PolarHBondContact O-N 3.46Å |
| 383 | I | 96.2 | Very high | 95.2 | Very high | 94 Ų | 94 | 71.3 Ų | 71.3 | 48% | 0.482 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 175 | -69.8 | 165.5 | 0 | 0 | 0 | 110.3 | C379 L380 G386 I387 | C379-I383 VanDerWaalsContact O-CG1 3.27Å; C379-I383 WeakPolarHBondContact O-CG1 3.47Å; C379-I383 PolarHBondContact O-N 3.49Å; L380-I383 PolarHBondContact O-N 3.23Å; I383-G386 PolarHBondContact O-N 2.96Å; I383-I387 HydrophobicContact CG2-CD1 3.99Å; I383-I387 WeakPolarHBondContact O-CG1 3.31Å; I383-I387 PolarHBondContact O-N 2.97Å |
| 384 | L | 96.1 | Very high | 95.2 | Very high | 93 Ų | 93 | 68.4 Ų | 68.4 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.1 | -47.8 | 178.7 | 178.8 | 62.1 | 0 | 0 | 0 | 111.8 | L380 F381 G386 I387 I388 | L380-L384 PolarHBondContact O-N 2.77Å; F381-L384 PolarHBondContact O-N 3.4Å; L384-G386 VanDerWaalsContact C-N 3.29Å; L384-G386 PolarHBondContact O-N 3.3Å; L384-I387 PolarHBondContact O-N 3.43Å; L384-I388 HydrophobicContact CD1-CD1 4.24Å; L384-I388 HydrophobicContact CG-CD1 4.07Å; L384-I388 WeakPolarHBondContact O-CG1 3.28Å; L384-I388 PolarHBondContact O-N 3.5Å |
| 385 | L | 96.8 | Very high | 95.1 | Very high | 14 Ų | 14 | 66.2 Ų | 66.2 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 175.8 | -73.7 | -176.5 | 0 | 0 | 0 | 111.9 | I357 L361 L364 F381 E382 I388 L389 | I357-L385 HydrophobicContact CG2-CB 4.11Å; I357-L385 HydrophobicContact CG2-CD2 4.19Å; L361-L385 HydrophobicContact CD1-CB 4.39Å; L361-L385 HydrophobicContact CD2-CB 3.79Å; L361-L385 HydrophobicContact CD2-CD1 4.05Å; L361-L385 HydrophobicContact CG-CB 4.11Å; L361-L385 HydrophobicContact CG-CD1 4.27Å; L364-L385 HydrophobicContact CD1-CD1 3.76Å; F381-L385 HydrophobicContact CD1-CD1 4Å; F381-L385 HydrophobicContact CD1-CG 4.48Å; F381-L385 HydrophobicContact CE1-CD1 3.53Å; F381-L385 HydrophobicContact CE1-CG 4.17Å; F381-L385 HydrophobicContact CE2-CD1 4.5Å; F381-L385 HydrophobicContact CE2-CD2 4.43Å; F381-L385 HydrophobicContact CE2-CG 4.3Å; F381-L385 HydrophobicContact CZ-CD1 3.81Å; F381-L385 HydrophobicContact CZ-CD2 4.22Å; F381-L385 HydrophobicContact CZ-CG 4.06Å; F381-L385 WeakPolarHBondContact O-CG 3.33Å; F381-L385 PolarHBondContact O-N 2.9Å; E382-L385 PolarHBondContact O-N 2.94Å; L385-I388 PolarHBondContact O-N 2.81Å; L385-L389 VanDerWaalsContact O-CB 3.24Å; L385-L389 WeakPolarHBondContact O-CB 3.36Å; L385-L389 PolarHBondContact O-N 3.36Å |
| 386 | G | 96.7 | Very high | 95.1 | Very high | 31 Ų | 31 | 64 Ų | 64 | 32% | 0.32 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E382 I383 L384 L389 F390 | E382-G386 PolarHBondContact O-N 3.46Å; I383-G386 PolarHBondContact O-N 2.96Å; L384-G386 VanDerWaalsContact C-N 3.29Å; L384-G386 PolarHBondContact O-N 3.3Å; G386-L389 PolarHBondContact O-N 3.28Å; G386-F390 WeakPolarHBondContact O-CB 3.39Å; G386-F390 PolarHBondContact O-N 2.85Å |
| 387 | I | 95.3 | Very high | 95 | Very high | 97 Ų | 97 | 63.2 Ų | 63.2 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.6 | -67.6 | 165.7 | 0 | 0 | 0 | 111 | I383 L384 F390 S391 | I383-I387 HydrophobicContact CG2-CD1 3.99Å; I383-I387 WeakPolarHBondContact O-CG1 3.31Å; I383-I387 PolarHBondContact O-N 2.97Å; L384-I387 PolarHBondContact O-N 3.43Å; I387-F390 PolarHBondContact O-N 3.09Å; I387-S391 WeakPolarHBondContact O-CB 3.45Å; I387-S391 PolarHBondContact O-N 3.42Å; I387-S391 PolarHBondContact O-OG 3.27Å |
| 388 | I | 95.2 | Very high | 94.9 | Very high | 67 Ų | 67 | 62.7 Ų | 62.7 | 34% | 0.344 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 177.7 | -64.3 | 166.8 | 0 | 0 | 0 | 110.2 | I357 L384 L385 F390 S391 L392 | I357-I388 HydrophobicContact CD1-CB 4.25Å; I357-I388 HydrophobicContact CD1-CG2 3.44Å; I357-I388 VanDerWaalsContact CD1-CG2 3.44Å; L384-I388 HydrophobicContact CD1-CD1 4.24Å; L384-I388 HydrophobicContact CG-CD1 4.07Å; L384-I388 WeakPolarHBondContact O-CG1 3.28Å; L384-I388 PolarHBondContact O-N 3.5Å; L385-I388 PolarHBondContact O-N 2.81Å; I388-F390 PolarHBondContact O-N 2.88Å; I388-S391 WeakPolarHBondContact O-CB 3.49Å; I388-S391 PolarHBondContact O-N 3.44Å; I388-S391 VanDerWaalsContact O-N 3.16Å; I388-L392 HydrophobicContact CG2-CD1 4Å; I388-L392 HydrophobicContact CG2-CG 4.34Å; I388-L392 WeakPolarHBondContact O-CG 3.29Å; I388-L392 PolarHBondContact O-N 2.97Å |
| 389 | L | 96.7 | Very high | 94.8 | Very high | 27 Ų | 27 | 61.2 Ų | 61.2 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.8 | -49 | 177.9 | 178.9 | 61 | 0 | 0 | 0 | 111.2 | A354 I357 L361 L385 G386 S391 L392 I393 | A354-L389 HydrophobicContact CB-CD1 3.71Å; A354-L389 VanDerWaalsContact O-CD1 3.26Å; A354-L389 WeakPolarHBondContact O-CD1 3.24Å; I357-L389 HydrophobicContact CB-CD1 4.46Å; I357-L389 HydrophobicContact CG2-CB 3.95Å; I357-L389 HydrophobicContact CG2-CD1 4.45Å; L361-L389 HydrophobicContact CD1-CD2 3.82Å; L385-L389 VanDerWaalsContact O-CB 3.24Å; L385-L389 WeakPolarHBondContact O-CB 3.36Å; L385-L389 PolarHBondContact O-N 3.36Å; G386-L389 PolarHBondContact O-N 3.28Å; L389-S391 VanDerWaalsContact C-N 3.31Å; L389-S391 PolarHBondContact O-N 2.71Å; L389-L392 PolarHBondContact O-N 3Å; L389-I393 HydrophobicContact CD1-CD1 3.74Å; L389-I393 HydrophobicContact CD1-CG1 4.17Å; L389-I393 HydrophobicContact CG-CD1 3.88Å; L389-I393 WeakPolarHBondContact O-CG1 3.36Å; L389-I393 PolarHBondContact O-N 2.94Å |
| 390 | F | 95.3 | Very high | 94.8 | Very high | 129 Ų | 129 | 59.3 Ų | 59.3 | 57% | 0.566 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -56.5 | -47.7 | 175.2 | 173 | -97.3 | 0 | 0 | 0 | 111 | G386 I387 I388 L392 I393 W394 | G386-F390 WeakPolarHBondContact O-CB 3.39Å; G386-F390 PolarHBondContact O-N 2.85Å; I387-F390 PolarHBondContact O-N 3.09Å; I388-F390 PolarHBondContact O-N 2.88Å; F390-L392 VanDerWaalsContact C-N 3.34Å; F390-L392 PolarHBondContact O-N 3.47Å; F390-I393 PolarHBondContact O-N 3.26Å; F390-W394 HydrophobicContact CE1-CB 4.24Å; F390-W394 HydrophobicContact CE1-CG 4.3Å; F390-W394 HydrophobicContact CE2-CB 4.42Å; F390-W394 HydrophobicContact CZ-CB 4.16Å; F390-W394 AromaticContact CZ-CD1 3.57Å; F390-W394 HydrophobicContact CZ-CG 4.03Å; F390-W394 WeakPolarHBondContact O-CB 3.35Å; F390-W394 PolarHBondContact O-N 3.44Å |
| 391 | S | 93.5 | Very high | 94.7 | Very high | 55 Ų | 55 | 56.9 Ų | 56.9 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | -178.9 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | I387 I388 L389 G395 | I387-S391 WeakPolarHBondContact O-CB 3.45Å; I387-S391 PolarHBondContact O-N 3.42Å; I387-S391 PolarHBondContact O-OG 3.27Å; I388-S391 WeakPolarHBondContact O-CB 3.49Å; I388-S391 PolarHBondContact O-N 3.44Å; I388-S391 VanDerWaalsContact O-N 3.16Å; L389-S391 VanDerWaalsContact C-N 3.31Å; L389-S391 PolarHBondContact O-N 2.71Å; S391-G395 WeakPolarHBondContact O-CA 3.26Å; S391-G395 PolarHBondContact O-N 3.4Å |
| 392 | L | 95 | Very high | 94.7 | Very high | 25 Ų | 25 | 55.7 Ų | 55.7 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.2 | -47.2 | 176.4 | -70.5 | 171.1 | 0 | 0 | 0 | 111.8 | H350 W353 A354 I357 I388 L389 F390 S396 | H350-L392 HydrophobicContact CB-CD2 4.12Å; W353-L392 HydrophobicContact CB-CD1 3.76Å; W353-L392 HydrophobicContact CB-CD2 4.5Å; A354-L392 HydrophobicContact CB-CB 4.22Å; I357-L392 HydrophobicContact CD1-CD1 3.71Å; I388-L392 HydrophobicContact CG2-CD1 4Å; I388-L392 HydrophobicContact CG2-CG 4.34Å; I388-L392 WeakPolarHBondContact O-CG 3.29Å; I388-L392 PolarHBondContact O-N 2.97Å; L389-L392 PolarHBondContact O-N 3Å; F390-L392 VanDerWaalsContact C-N 3.34Å; F390-L392 PolarHBondContact O-N 3.47Å; L392-S396 WeakPolarHBondContact O-CB 3.49Å; L392-S396 PolarHBondContact O-N 3.17Å |
| 393 | I | 94.8 | Very high | 94.7 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 34% | 0.338 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.8 | -51.4 | 179.3 | -68.2 | 173.5 | 0 | 0 | 0 | 110 | A354 L389 F390 S396 L397 | A354-I393 HydrophobicContact CB-CG1 3.92Å; L389-I393 HydrophobicContact CD1-CD1 3.74Å; L389-I393 HydrophobicContact CD1-CG1 4.17Å; L389-I393 HydrophobicContact CG-CD1 3.88Å; L389-I393 WeakPolarHBondContact O-CG1 3.36Å; L389-I393 PolarHBondContact O-N 2.94Å; F390-I393 PolarHBondContact O-N 3.26Å; I393-S396 PolarHBondContact O-N 3.07Å; I393-L397 HydrophobicContact CG2-CD1 3.66Å; I393-L397 HydrophobicContact CG2-CG 4.21Å; I393-L397 WeakPolarHBondContact O-CB 3.39Å; I393-L397 WeakPolarHBondContact O-CG 3.3Å; I393-L397 PolarHBondContact O-N 3.24Å |
| 394 | W | 94.3 | Very high | 94.7 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 30% | 0.303 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 179.7 | -169.8 | 100.1 | 0 | 0 | 0 | 111 | P103 Y111 F390 S396 L397 I398 G399 | P103-W394 HydrophobicContact CB-CZ3 4.42Å; P103-W394 HydrophobicContact CG-CE3 4.41Å; P103-W394 HydrophobicContact CG-CZ3 3.85Å; Y111-W394 WeakPolarHBondContact OH-CH2 3.35Å; F390-W394 HydrophobicContact CE1-CB 4.24Å; F390-W394 HydrophobicContact CE1-CG 4.3Å; F390-W394 HydrophobicContact CE2-CB 4.42Å; F390-W394 HydrophobicContact CZ-CB 4.16Å; F390-W394 AromaticContact CZ-CD1 3.57Å; F390-W394 HydrophobicContact CZ-CG 4.03Å; F390-W394 WeakPolarHBondContact O-CB 3.35Å; F390-W394 PolarHBondContact O-N 3.44Å; W394-S396 VanDerWaalsContact C-N 3.27Å; W394-S396 PolarHBondContact O-N 3.32Å; W394-L397 PolarHBondContact O-N 2.91Å; W394-I398 HydrophobicContact CD2-CB 4.3Å; W394-I398 HydrophobicContact CD2-CD1 4.25Å; W394-I398 HydrophobicContact CG-CD1 4.1Å; W394-I398 HydrophobicContact CH2-CG2 4.07Å; W394-I398 HydrophobicContact CZ2-CB 4.42Å; W394-I398 HydrophobicContact CZ2-CD1 4.43Å; W394-I398 HydrophobicContact CZ2-CG2 3.91Å; W394-I398 HydrophobicContact CZ3-CG2 4.49Å; W394-I398 VanDerWaalsContact NE1-CD1 3.31Å; W394-I398 WeakPolarHBondContact O-CA 3.4Å; W394-I398 WeakPolarHBondContact O-CB 3.27Å; W394-I398 PolarHBondContact O-N 3.03Å; W394-G399 PolarHBondContact O-N 2.81Å |
| 395 | G | 92.5 | Very high | 94.8 | Very high | 7 Ų | 7 | 50.2 Ų | 50.2 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -60 | -37 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S391 G399 R400 | S391-G395 WeakPolarHBondContact O-CA 3.26Å; S391-G395 PolarHBondContact O-N 3.4Å; G395-G399 CarbonylContact O-C 3.58Å; G395-G399 VanDerWaalsContact O-CA 3.23Å; G395-G399 WeakPolarHBondContact O-CA 3.34Å; G395-G399 PolarHBondContact O-N 2.98Å; G395-R400 WeakPolarHBondContact O-CG 3.35Å; G395-R400 PolarHBondContact O-N 2.82Å |
| 396 | S | 93.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -77.1 | -44.3 | 179 | -173.4 | 0 | 0 | 0 | 0 | 113.5 | R347 L351 L392 I393 W394 R400 | R347-S396 WeakPolarHBondContact CG-OG 3.36Å; R347-S396 PolarHBondContact O-OG 2.97Å; L351-S396 VanDerWaalsContact CG-OG 3.3Å; L351-S396 WeakPolarHBondContact CG-OG 3.32Å; L392-S396 WeakPolarHBondContact O-CB 3.49Å; L392-S396 PolarHBondContact O-N 3.17Å; I393-S396 PolarHBondContact O-N 3.07Å; W394-S396 VanDerWaalsContact C-N 3.27Å; W394-S396 PolarHBondContact O-N 3.32Å; S396-R400 WeakPolarHBondContact O-CB 3.47Å |
| 397 | L | 92.8 | Very high | 94.9 | Very high | 86 Ų | 86 | 48.1 Ų | 48.1 | 45% | 0.45 | 25% | 0.25 | S | S | . | . | I | π-helix | trans | -81.2 | -39.5 | -175.2 | -65 | -176.1 | 0 | 0 | 0 | 112.6 | I393 W394 T401 | I393-L397 HydrophobicContact CG2-CD1 3.66Å; I393-L397 HydrophobicContact CG2-CG 4.21Å; I393-L397 WeakPolarHBondContact O-CB 3.39Å; I393-L397 WeakPolarHBondContact O-CG 3.3Å; I393-L397 PolarHBondContact O-N 3.24Å; W394-L397 PolarHBondContact O-N 2.91Å; L397-T401 VanDerWaalsContact O-CB 3.27Å; L397-T401 WeakPolarHBondContact O-CB 3.32Å; L397-T401 PolarHBondContact O-OG1 3Å |
| 398 | I | 92.7 | Very high | 95 | Very high | 74 Ų | 74 | 46.7 Ų | 46.7 | 38% | 0.379 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -100.8 | -58.1 | -177.3 | -64.5 | 166.1 | 0 | 0 | 0 | 109.6 | W394 T401 I402 | W394-I398 HydrophobicContact CD2-CB 4.3Å; W394-I398 HydrophobicContact CD2-CD1 4.25Å; W394-I398 HydrophobicContact CG-CD1 4.1Å; W394-I398 HydrophobicContact CH2-CG2 4.07Å; W394-I398 HydrophobicContact CZ2-CB 4.42Å; W394-I398 HydrophobicContact CZ2-CD1 4.43Å; W394-I398 HydrophobicContact CZ2-CG2 3.91Å; W394-I398 HydrophobicContact CZ3-CG2 4.49Å; W394-I398 VanDerWaalsContact NE1-CD1 3.31Å; W394-I398 WeakPolarHBondContact O-CA 3.4Å; W394-I398 WeakPolarHBondContact O-CB 3.27Å; W394-I398 PolarHBondContact O-N 3.03Å; I398-T401 PolarHBondContact O-N 3.35Å; I398-I402 HydrophobicContact CG2-CD1 3.87Å; I398-I402 WeakPolarHBondContact O-CG1 3.38Å; I398-I402 PolarHBondContact O-N 3.48Å |
| 399 | G | 92.8 | Very high | 95.1 | Very high | 12 Ų | 12 | 48 Ų | 48 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -56.1 | -57.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W394 G395 T401 I402 E403 | W394-G399 PolarHBondContact O-N 2.81Å; G395-G399 CarbonylContact O-C 3.58Å; G395-G399 VanDerWaalsContact O-CA 3.23Å; G395-G399 WeakPolarHBondContact O-CA 3.34Å; G395-G399 PolarHBondContact O-N 2.98Å; G399-T401 PolarHBondContact O-N 3.1Å; G399-I402 PolarHBondContact O-N 3.02Å; G399-E403 PolarHBondContact O-N 3.48Å |
| 400 | R | 93.7 | Very high | 95.2 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -25.8 | 179.4 | -61.6 | -57.5 | -173 | 171.3 | -7.3 | 113 | Y102 C343 R347 G395 S396 E403 K404 | Y102-R400 VanDerWaalsContact CZ-NH1 3.33Å; Y102-R400 PolarHBondContact OH-NH1 2.89Å; C343-R400 PolarHBondContact SG-O 3.05Å; C343-R400 VanDerWaalsContact SG-O 3.35Å; R347-R400 HydrophobicContact CB-CB 4.22Å; R347-R400 HydrophobicContact CB-CG 4.09Å; R347-R400 HydrophobicContact CG-CB 4.43Å; G395-R400 WeakPolarHBondContact O-CG 3.35Å; G395-R400 PolarHBondContact O-N 2.82Å; S396-R400 WeakPolarHBondContact O-CB 3.47Å; R400-E403 WeakPolarHBondContact CD-OE2 3.45Å; R400-E403 IonicContact CZ-OE2 2.54Å; R400-E403 IonicContact NE-OE2 3.78Å; R400-E403 VanDerWaalsContact NH1-CD 3.29Å; R400-E403 IonicContact NH1-OE1 2.68Å; R400-E403 PolarHBondContact NH1-OE1 3Å; R400-E403 VanDerWaalsContact NH1-OE1 3.07Å; R400-E403 IonicContact NH1-OE2 3.66Å; R400-E403 PolarHBondContact NH1-OE2 3.41Å; R400-K404 WeakPolarHBondContact O-CB 3.44Å; R400-K404 PolarHBondContact O-N 3.37Å |
| 401 | T | 95.1 | Very high | 95.3 | Very high | 59 Ų | 59 | 42.3 Ų | 42.3 | 36% | 0.362 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.8 | -44.2 | 174.9 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | L397 I398 G399 K404 S405 | L397-T401 VanDerWaalsContact O-CB 3.27Å; L397-T401 WeakPolarHBondContact O-CB 3.32Å; L397-T401 PolarHBondContact O-OG1 3Å; I398-T401 PolarHBondContact O-N 3.35Å; G399-T401 PolarHBondContact O-N 3.1Å; T401-K404 PolarHBondContact O-N 3.16Å; T401-S405 PolarHBondContact O-N 3.03Å; T401-S405 PolarHBondContact O-OG 3.23Å |
| 402 | I | 94.4 | Very high | 95.5 | Very high | 76 Ų | 76 | 44.9 Ų | 44.9 | 39% | 0.39 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63 | -47.5 | 174.8 | -65.5 | 167.2 | 0 | 0 | 0 | 110.6 | T98 I398 G399 K404 S405 G406 | T98-I402 HydrophobicContact CG2-CG2 4.19Å; I398-I402 HydrophobicContact CG2-CD1 3.87Å; I398-I402 WeakPolarHBondContact O-CG1 3.38Å; I398-I402 PolarHBondContact O-N 3.48Å; G399-I402 PolarHBondContact O-N 3.02Å; I402-K404 VanDerWaalsContact C-N 3.34Å; I402-K404 PolarHBondContact O-N 3.29Å; I402-S405 WeakPolarHBondContact O-CB 3.5Å; I402-S405 PolarHBondContact O-N 3.23Å; I402-S405 VanDerWaalsContact O-N 3.15Å; I402-G406 PolarHBondContact O-N 3.49Å |
| 403 | E | 95.5 | Very high | 95.6 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.5 | -49.4 | 176.8 | -179.6 | -170.9 | 168.5 | 0 | 0 | 111.4 | Y102 H153 C343 G399 R400 S405 G406 L407 | Y102-E403 WeakPolarHBondContact CE1-OE2 3.36Å; Y102-E403 PolarHBondContact OH-OE1 3.18Å; H153-E403 IonicContact NE2-OE1 3.38Å; H153-E403 PolarHBondContact NE2-OE1 3.09Å; C343-E403 HydrophobicContact CB-CG 4.25Å; C343-E403 VanDerWaalsContact CB-OE1 3.28Å; C343-E403 WeakPolarHBondContact CB-OE1 3.38Å; C343-E403 VanDerWaalsContact SG-CD 3.57Å; G399-E403 PolarHBondContact O-N 3.48Å; R400-E403 WeakPolarHBondContact CD-OE2 3.45Å; R400-E403 IonicContact CZ-OE2 2.54Å; R400-E403 IonicContact NE-OE2 3.78Å; R400-E403 VanDerWaalsContact NH1-CD 3.29Å; R400-E403 IonicContact NH1-OE1 2.68Å; R400-E403 PolarHBondContact NH1-OE1 3Å; R400-E403 VanDerWaalsContact NH1-OE1 3.07Å; R400-E403 IonicContact NH1-OE2 3.66Å; R400-E403 PolarHBondContact NH1-OE2 3.41Å; E403-S405 VanDerWaalsContact C-N 3.32Å; E403-S405 PolarHBondContact O-N 3.43Å; E403-G406 PolarHBondContact O-N 3.5Å; E403-L407 HydrophobicContact CG-CD1 4.01Å; E403-L407 WeakPolarHBondContact O-CG 3.47Å; E403-L407 PolarHBondContact O-N 2.97Å |
| 404 | K | 97.2 | Very high | 95.7 | Very high | 68 Ų | 68 | 42.3 Ų | 42.3 | 30% | 0.296 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.7 | -45.3 | 176.5 | 176.4 | 176.7 | 176.8 | -173.6 | 0 | 111.5 | L340 L344 R400 T401 I402 G406 L407 Q408 | L340-K404 HydrophobicContact CD1-CB 4.49Å; L340-K404 HydrophobicContact CD1-CD 4.48Å; L340-K404 HydrophobicContact CD1-CG 3.82Å; L344-K404 HydrophobicContact CD2-CD 4.4Å; R400-K404 WeakPolarHBondContact O-CB 3.44Å; R400-K404 PolarHBondContact O-N 3.37Å; T401-K404 PolarHBondContact O-N 3.16Å; I402-K404 VanDerWaalsContact C-N 3.34Å; I402-K404 PolarHBondContact O-N 3.29Å; K404-G406 PolarHBondContact O-N 3.35Å; K404-L407 PolarHBondContact O-N 2.84Å; K404-Q408 HydrophobicContact CG-CG 4.19Å; K404-Q408 WeakPolarHBondContact O-CB 3.44Å; K404-Q408 VanDerWaalsContact O-CG 3.24Å; K404-Q408 WeakPolarHBondContact O-CG 3.49Å; K404-Q408 PolarHBondContact O-N 3.44Å |
| 405 | S | 97.2 | Very high | 95.7 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 36% | 0.357 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61 | -42.2 | 178.5 | -69.5 | 0 | 0 | 0 | 0 | 112.3 | T401 I402 E403 Q408 N409 | T401-S405 PolarHBondContact O-N 3.03Å; T401-S405 PolarHBondContact O-OG 3.23Å; I402-S405 WeakPolarHBondContact O-CB 3.5Å; I402-S405 PolarHBondContact O-N 3.23Å; I402-S405 VanDerWaalsContact O-N 3.15Å; E403-S405 VanDerWaalsContact C-N 3.32Å; E403-S405 PolarHBondContact O-N 3.43Å; S405-Q408 PolarHBondContact O-N 2.91Å; S405-N409 WeakPolarHBondContact O-CB 3.4Å; S405-N409 VanDerWaalsContact O-CG 3.26Å; S405-N409 PolarHBondContact O-N 3.24Å; S405-N409 PolarHBondContact O-ND2 2.99Å |
| 406 | G | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -51.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T98 S156 I402 E403 K404 Q408 N409 A410 | T98-G406 VanDerWaalsContact CG2-CA 3.44Å; S156-G406 PolarHBondContact OG-O 2.89Å; I402-G406 PolarHBondContact O-N 3.49Å; E403-G406 PolarHBondContact O-N 3.5Å; K404-G406 PolarHBondContact O-N 3.35Å; G406-Q408 VanDerWaalsContact C-N 3.32Å; G406-Q408 PolarHBondContact O-N 3.46Å; G406-N409 PolarHBondContact O-N 3.29Å; G406-A410 PolarHBondContact O-N 2.91Å |
| 407 | L | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -40 | 178.4 | -66.4 | 168.4 | 0 | 0 | 0 | 112.5 | G152 L336 C343 E403 K404 A410 K411 | G152-L407 WeakPolarHBondContact O-CD2 3.16Å; L336-L407 HydrophobicContact CD2-CD2 4.11Å; C343-L407 HydrophobicContact CB-CD1 4.12Å; E403-L407 HydrophobicContact CG-CD1 4.01Å; E403-L407 WeakPolarHBondContact O-CG 3.47Å; E403-L407 PolarHBondContact O-N 2.97Å; K404-L407 PolarHBondContact O-N 2.84Å; L407-A410 PolarHBondContact O-N 2.99Å; L407-K411 WeakPolarHBondContact O-CG 3.45Å; L407-K411 PolarHBondContact O-N 3.24Å |
| 408 | Q | 98.1 | Very high | 95.6 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 31% | 0.313 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.8 | -43 | 177.1 | -75.2 | -177.3 | -57.1 | 0 | 0 | 111.9 | L340 K404 S405 G406 A410 K411 H412 | L340-Q408 HydrophobicContact CD1-CG 4.49Å; K404-Q408 HydrophobicContact CG-CG 4.19Å; K404-Q408 WeakPolarHBondContact O-CB 3.44Å; K404-Q408 VanDerWaalsContact O-CG 3.24Å; K404-Q408 WeakPolarHBondContact O-CG 3.49Å; K404-Q408 PolarHBondContact O-N 3.44Å; S405-Q408 PolarHBondContact O-N 2.91Å; G406-Q408 VanDerWaalsContact C-N 3.32Å; G406-Q408 PolarHBondContact O-N 3.46Å; Q408-A410 VanDerWaalsContact C-N 3.33Å; Q408-A410 PolarHBondContact O-N 2.95Å; Q408-K411 PolarHBondContact O-N 3.49Å; Q408-H412 PolarHBondContact O-CD2 2.9Å; Q408-H412 PolarHBondContact O-N 3.49Å |
| 409 | N | 97.9 | Very high | 95.4 | Very high | 95 Ų | 95 | 43.1 Ų | 43.1 | 51% | 0.508 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60 | -45.2 | 175.6 | -75.2 | -15.1 | 0 | 0 | 0 | 111.1 | S405 G406 K411 H412 S413 | S405-N409 WeakPolarHBondContact O-CB 3.4Å; S405-N409 VanDerWaalsContact O-CG 3.26Å; S405-N409 PolarHBondContact O-N 3.24Å; S405-N409 PolarHBondContact O-ND2 2.99Å; G406-N409 PolarHBondContact O-N 3.29Å; N409-K411 PolarHBondContact O-N 3.26Å; N409-H412 PolarHBondContact O-N 3.44Å; N409-S413 PolarHBondContact O-N 3.27Å; N409-S413 PolarHBondContact O-OG 2.95Å |
| 410 | A | 98.2 | Very high | 95 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | V159 L336 G406 L407 Q408 H412 S413 I414 | V159-A410 HydrophobicContact CB-CB 4.13Å; V159-A410 HydrophobicContact CG1-CB 4.15Å; V159-A410 HydrophobicContact CG2-CB 4.49Å; L336-A410 HydrophobicContact CD1-CB 3.88Å; L336-A410 HydrophobicContact CD2-CB 3.79Å; G406-A410 PolarHBondContact O-N 2.91Å; L407-A410 PolarHBondContact O-N 2.99Å; Q408-A410 VanDerWaalsContact C-N 3.33Å; Q408-A410 PolarHBondContact O-N 2.95Å; A410-H412 VanDerWaalsContact C-N 3.33Å; A410-H412 PolarHBondContact O-N 3.32Å; A410-S413 PolarHBondContact O-N 3.25Å; A410-I414 WeakPolarHBondContact O-CG1 3.21Å; A410-I414 PolarHBondContact O-N 3.18Å |
| 411 | K | 98.1 | Very high | 94.4 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 15% | 0.148 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 174.5 | -75.5 | -174.3 | 68.4 | 69.7 | 0 | 112 | D333 L336 T337 L407 Q408 N409 S413 I414 L415 | D333-K411 PolarHBondContact O-NZ 3Å; D333-K411 IonicContact OD1-NZ 3.41Å; D333-K411 PolarHBondContact OD1-NZ 3Å; D333-K411 IonicContact OD2-NZ 3.18Å; D333-K411 PolarHBondContact OD2-NZ 2.97Å; L336-K411 HydrophobicContact CB-CD 4.18Å; L336-K411 HydrophobicContact CB-CG 3.58Å; L336-K411 HydrophobicContact CD1-CG 3.89Å; L336-K411 HydrophobicContact CG-CG 4.33Å; T337-K411 PolarHBondContact OG1-NZ 3.47Å; L407-K411 WeakPolarHBondContact O-CG 3.45Å; L407-K411 PolarHBondContact O-N 3.24Å; Q408-K411 PolarHBondContact O-N 3.49Å; N409-K411 PolarHBondContact O-N 3.26Å; K411-S413 VanDerWaalsContact C-N 3.34Å; K411-S413 PolarHBondContact O-N 3.04Å; K411-I414 PolarHBondContact O-N 2.69Å; K411-L415 WeakPolarHBondContact O-CB 3.41Å; K411-L415 VanDerWaalsContact O-CG 3.28Å; K411-L415 WeakPolarHBondContact O-CG 2.9Å; K411-L415 PolarHBondContact O-N 3.22Å |
| 412 | H | 97.6 | Very high | 93.8 | Very high | 109 Ų | 109 | 49.9 Ų | 49.9 | 51% | 0.505 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 177.5 | -73.8 | -52.7 | 0 | 0 | 0 | 112.4 | Q408 N409 A410 L415 T416 | Q408-H412 PolarHBondContact O-CD2 2.9Å; Q408-H412 PolarHBondContact O-N 3.49Å; N409-H412 PolarHBondContact O-N 3.44Å; A410-H412 VanDerWaalsContact C-N 3.33Å; A410-H412 PolarHBondContact O-N 3.32Å; H412-L415 PolarHBondContact O-N 3.32Å; H412-T416 WeakPolarHBondContact O-CB 3.49Å; H412-T416 PolarHBondContact O-N 3.41Å; H412-T416 PolarHBondContact O-OG1 3.23Å |
| 413 | S | 96 | Very high | 92.9 | Very high | 36 Ų | 36 | 52.6 Ų | 52.6 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 173.4 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | N409 A410 K411 T416 L417 | N409-S413 PolarHBondContact O-N 3.27Å; N409-S413 PolarHBondContact O-OG 2.95Å; A410-S413 PolarHBondContact O-N 3.25Å; K411-S413 VanDerWaalsContact C-N 3.34Å; K411-S413 PolarHBondContact O-N 3.04Å; S413-T416 WeakPolarHBondContact O-CB 3.33Å; S413-T416 PolarHBondContact O-N 3.45Å; S413-L417 WeakPolarHBondContact O-CG 3.06Å; S413-L417 PolarHBondContact O-N 3.43Å |
| 414 | I | 96.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 177.3 | -64.5 | -60.4 | 0 | 0 | 0 | 111.4 | V159 M162 L192 L329 I332 D333 L336 A410 K411 T416 L417 T418 | V159-I414 HydrophobicContact CG2-CD1 3.86Å; V159-I414 HydrophobicContact CG2-CG1 4.14Å; M162-I414 HydrophobicContact CE-CD1 4.42Å; L192-I414 HydrophobicContact CD2-CD1 3.93Å; L329-I414 HydrophobicContact CB-CG2 4.46Å; L329-I414 HydrophobicContact CD2-CD1 4.14Å; L329-I414 HydrophobicContact CD2-CG2 4.08Å; I332-I414 HydrophobicContact CG2-CD1 3.72Å; I332-I414 HydrophobicContact CG2-CG1 3.86Å; D333-I414 HydrophobicContact CB-CG2 4.23Å; L336-I414 HydrophobicContact CD1-CG1 4.03Å; A410-I414 WeakPolarHBondContact O-CG1 3.21Å; A410-I414 PolarHBondContact O-N 3.18Å; K411-I414 PolarHBondContact O-N 2.69Å; I414-T416 VanDerWaalsContact C-N 3.25Å; I414-T416 PolarHBondContact O-N 2.84Å; I414-L417 WeakPolarHBondContact O-CB 3.43Å; I414-L417 PolarHBondContact O-N 3.28Å; I414-L417 VanDerWaalsContact O-N 3.1Å; I414-T418 PolarHBondContact O-N 3.41Å; I414-T418 PolarHBondContact O-OG1 2.88Å; I414-T418 VanDerWaalsContact O-OG1 3.07Å |
| 415 | L | 95.4 | Very high | 89 | Confident | 87 Ų | 87 | 58.4 Ų | 58.4 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.2 | -37.1 | 175.3 | -72.4 | 169.6 | 0 | 0 | 0 | 112.3 | K411 H412 T418 S419 | K411-L415 WeakPolarHBondContact O-CB 3.41Å; K411-L415 VanDerWaalsContact O-CG 3.28Å; K411-L415 WeakPolarHBondContact O-CG 2.9Å; K411-L415 PolarHBondContact O-N 3.22Å; H412-L415 PolarHBondContact O-N 3.32Å; L415-T418 PolarHBondContact O-N 2.97Å; L415-S419 WeakPolarHBondContact O-CB 3.39Å; L415-S419 PolarHBondContact O-N 3.25Å; L415-S419 PolarHBondContact O-OG 3.01Å |
| 416 | T | 92.7 | Very high | 86.6 | Confident | 67 Ų | 67 | 60.8 Ų | 60.8 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 175.3 | -59 | 0 | 0 | 0 | 0 | 110.6 | H412 S413 I414 S419 R420 | H412-T416 WeakPolarHBondContact O-CB 3.49Å; H412-T416 PolarHBondContact O-N 3.41Å; H412-T416 PolarHBondContact O-OG1 3.23Å; S413-T416 WeakPolarHBondContact O-CB 3.33Å; S413-T416 PolarHBondContact O-N 3.45Å; I414-T416 VanDerWaalsContact C-N 3.25Å; I414-T416 PolarHBondContact O-N 2.84Å; T416-S419 PolarHBondContact O-N 3.49Å; T416-S419 PolarHBondContact O-OG 3.34Å; T416-R420 WeakPolarHBondContact O-CG 3.31Å; T416-R420 PolarHBondContact O-N 3.07Å |
| 417 | L | 90.8 | Very high | 84.3 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.7 | -66.6 | 174.6 | 0 | 0 | 0 | 112 | M162 L329 S413 I414 S419 R420 L421 | M162-L417 HydrophobicContact CE-CD1 3.53Å; M162-L417 HydrophobicContact SD-CD1 4.42Å; L329-L417 HydrophobicContact CD1-CB 4.49Å; L329-L417 HydrophobicContact CD2-CB 3.93Å; L329-L417 HydrophobicContact CD2-CD1 4.29Å; S413-L417 WeakPolarHBondContact O-CG 3.06Å; S413-L417 PolarHBondContact O-N 3.43Å; I414-L417 WeakPolarHBondContact O-CB 3.43Å; I414-L417 PolarHBondContact O-N 3.28Å; I414-L417 VanDerWaalsContact O-N 3.1Å; L417-S419 PolarHBondContact O-N 3.14Å; L417-R420 WeakPolarHBondContact O-CB 3.18Å; L417-R420 PolarHBondContact O-N 3.26Å; L417-L421 PolarHBondContact O-N 3.47Å |
| 418 | T | 91.8 | Very high | 81.9 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 23% | 0.233 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.9 | -47 | 175.4 | -55 | 0 | 0 | 0 | 0 | 111.4 | I414 L415 R420 L421 D422 | I414-T418 PolarHBondContact O-N 3.41Å; I414-T418 PolarHBondContact O-OG1 2.88Å; I414-T418 VanDerWaalsContact O-OG1 3.07Å; L415-T418 PolarHBondContact O-N 2.97Å; T418-R420 VanDerWaalsContact C-N 3.28Å; T418-R420 PolarHBondContact O-N 3.48Å; T418-L421 WeakPolarHBondContact O-CA 3.04Å; T418-L421 WeakPolarHBondContact O-CB 3.33Å; T418-L421 PolarHBondContact O-N 3.04Å; T418-D422 PolarHBondContact O-N 2.69Å |
| 419 | S | 89.8 | Confident | 79.4 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 178.8 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | L415 T416 L417 L421 D422 N423 | L415-S419 WeakPolarHBondContact O-CB 3.39Å; L415-S419 PolarHBondContact O-N 3.25Å; L415-S419 PolarHBondContact O-OG 3.01Å; T416-S419 PolarHBondContact O-N 3.49Å; T416-S419 PolarHBondContact O-OG 3.34Å; L417-S419 PolarHBondContact O-N 3.14Å; S419-L421 VanDerWaalsContact C-N 3.33Å; S419-D422 PolarHBondContact O-N 3Å; S419-N423 WeakPolarHBondContact O-CB 3.41Å; S419-N423 PolarHBondContact O-ND2 3.41Å; S419-N423 PolarHBondContact O-N 2.72Å; S419-N423 VanDerWaalsContact O-CB 3.27Å |
| 420 | R | 82.6 | Confident | 77 | Confident | 131 Ų | 131 | 65.5 Ų | 65.5 | 49% | 0.494 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 174.2 | -76.1 | 177.8 | 173.1 | -171.7 | -1.5 | 111.3 | T416 L417 T418 D422 S424 L429 | T416-R420 WeakPolarHBondContact O-CG 3.31Å; T416-R420 PolarHBondContact O-N 3.07Å; L417-R420 WeakPolarHBondContact O-CB 3.18Å; L417-R420 PolarHBondContact O-N 3.26Å; T418-R420 VanDerWaalsContact C-N 3.28Å; T418-R420 PolarHBondContact O-N 3.48Å; R420-D422 VanDerWaalsContact C-N 3.35Å; R420-S424 VanDerWaalsContact O-CB 3.23Å; R420-S424 WeakPolarHBondContact O-CB 3.46Å; R420-S424 PolarHBondContact O-N 3.03Å; R420-S424 PolarHBondContact O-OG 2.99Å; R420-L429 HydrophobicContact CB-CD1 4.32Å |
| 421 | L | 83.1 | Confident | 74.5 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69 | -31.1 | 177.9 | -174.3 | 63 | 0 | 0 | 0 | 113.3 | L322 L325 R326 L329 L417 T418 S419 S424 L429 | L322-L421 HydrophobicContact CD2-CD1 3.42Å; L322-L421 VanDerWaalsContact CD2-CD1 3.42Å; L325-L421 HydrophobicContact CB-CD2 4.3Å; L325-L421 HydrophobicContact CD2-CD1 4.15Å; L325-L421 HydrophobicContact CD2-CD2 4.07Å; L325-L421 HydrophobicContact CG-CD2 4.02Å; R326-L421 HydrophobicContact CB-CD2 4.38Å; R326-L421 HydrophobicContact CG-CD2 3.42Å; R326-L421 VanDerWaalsContact CG-CD2 3.42Å; R326-L421 HydrophobicContact CG-CG 4.17Å; L329-L421 HydrophobicContact CD1-CD2 3.82Å; L417-L421 PolarHBondContact O-N 3.47Å; T418-L421 WeakPolarHBondContact O-CA 3.04Å; T418-L421 WeakPolarHBondContact O-CB 3.33Å; T418-L421 PolarHBondContact O-N 3.04Å; S419-L421 VanDerWaalsContact C-N 3.33Å; L421-S424 PolarHBondContact O-OG 3.19Å; L421-L429 HydrophobicContact CB-CD1 3.74Å; L421-L429 HydrophobicContact CD1-CD1 3.7Å; L421-L429 HydrophobicContact CD1-CD2 4.43Å; L421-L429 HydrophobicContact CD1-CG 4.48Å; L421-L429 HydrophobicContact CG-CD1 4.33Å |
| 422 | D | 81.9 | Confident | 73.3 | Confident | 101 Ų | 101 | 72.8 Ų | 72.8 | 54% | 0.54 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -83.3 | -32.2 | 177.2 | -67.1 | -24.2 | 0 | 0 | 0 | 112.7 | R326 T418 S419 R420 S424 | R326-D422 IonicContact NE-OD1 3.56Å; T418-D422 PolarHBondContact O-N 2.69Å; S419-D422 PolarHBondContact O-N 3Å; R420-D422 VanDerWaalsContact C-N 3.35Å; D422-S424 VanDerWaalsContact C-N 3.34Å |
| 423 | N | 75.4 | Confident | 72 | Confident | 132 Ų | 132 | 70.8 Ų | 70.8 | 71% | 0.706 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -80.2 | -13.4 | 177.7 | -71.6 | -36.9 | 0 | 0 | 0 | 113.3 | S419 N425 | S419-N423 WeakPolarHBondContact O-CB 3.41Å; S419-N423 PolarHBondContact O-ND2 3.41Å; S419-N423 PolarHBondContact O-N 2.72Å; S419-N423 VanDerWaalsContact O-CB 3.27Å; N423-N425 PolarHBondContact O-N 3.46Å; N423-N425 VanDerWaalsContact O-N 3.09Å |
| 424 | S | 59.8 | Low | 70.7 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 26% | 0.259 | 38% | 0.379 | S | S | . | . | trans | -81.1 | 99.3 | -166.8 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | R420 L421 D422 D426 | R420-S424 VanDerWaalsContact O-CB 3.23Å; R420-S424 WeakPolarHBondContact O-CB 3.46Å; R420-S424 PolarHBondContact O-N 3.03Å; R420-S424 PolarHBondContact O-OG 2.99Å; L421-S424 PolarHBondContact O-OG 3.19Å; D422-S424 VanDerWaalsContact C-N 3.34Å; S424-D426 WeakPolarHBondContact CB-O 3.36Å | ||
| 425 | N | 49.9 | Very low | 69.1 | Low | 163 Ų | 163 | 77 Ų | 77 | 87% | 0.872 | 40% | 0.401 | S | S | * | . | S | Bend | -75.2 | 7.1 | 119.8 | -82.7 | -25.3 | 0 | 0 | 0 | 111.4 | N423 | N423-N425 PolarHBondContact O-N 3.46Å; N423-N425 VanDerWaalsContact O-N 3.09Å | |
| 426 | D | 48.4 | Very low | 67.5 | Low | 100 Ų | 100 | 76.4 Ų | 76.4 | 54% | 0.535 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -85.5 | 119.1 | -172.1 | -154.2 | -3.4 | 0 | 0 | 0 | 110.5 | S424 T428 | S424-D426 WeakPolarHBondContact CB-O 3.36Å; D426-T428 PolarHBondContact O-N 3.2Å |
| 427 | F | 47.4 | Very low | 65.8 | Low | 136 Ų | 136 | 77 Ų | 77 | 60% | 0.596 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 20.6 | -174.1 | -65.7 | -89.2 | 0 | 0 | 0 | 113.6 | I430 | F427-I430 HydrophobicContact CB-CD1 3.6Å; F427-I430 HydrophobicContact CB-CG1 4.4Å; F427-I430 HydrophobicContact CD1-CD1 3.97Å; F427-I430 HydrophobicContact CG-CD1 4.29Å; F427-I430 WeakPolarHBondContact O-CD1 3.32Å; F427-I430 WeakPolarHBondContact O-CG1 3.44Å |
| 428 | T | 49 | Very low | 64 | Low | 74 Ų | 74 | 81.1 Ų | 81.1 | 45% | 0.454 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -17.8 | -176.4 | 46.6 | 0 | 0 | 0 | 0 | 114.7 | D426 I430 | D426-T428 PolarHBondContact O-N 3.2Å; T428-I430 PolarHBondContact O-N 3.47Å |
| 429 | L | 46 | Very low | 61.9 | Low | 44 Ų | 44 | 84.4 Ų | 84.4 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -95.1 | 26.6 | 173.8 | -81.2 | 152.8 | 0 | 0 | 0 | 112.6 | L325 R420 L421 | L325-L429 HydrophobicContact CD2-CD2 3.72Å; R420-L429 HydrophobicContact CB-CD1 4.32Å; L421-L429 HydrophobicContact CB-CD1 3.74Å; L421-L429 HydrophobicContact CD1-CD1 3.7Å; L421-L429 HydrophobicContact CD1-CD2 4.43Å; L421-L429 HydrophobicContact CD1-CG 4.48Å; L421-L429 HydrophobicContact CG-CD1 4.33Å |
| 430 | I | 47 | Very low | 59.5 | Low | 7 Ų | 7 | 87 Ų | 87 | 4% | 0.036 | 44% | 0.437 | C | S | . | . | trans | -68.6 | 136.3 | 180 | -75 | -174.1 | 0 | 0 | 0 | 110.3 | K198 I258 F262 G314 E315 F427 T428 | K198-I430 WeakPolarHBondContact CE-O 3.05Å; K198-I430 PolarHBondContact NZ-O 3.36Å; I258-I430 HydrophobicContact CD1-CB 3.65Å; I258-I430 HydrophobicContact CD1-CD1 4.14Å; I258-I430 HydrophobicContact CD1-CG1 4.45Å; I258-I430 HydrophobicContact CD1-CG2 3.44Å; I258-I430 VanDerWaalsContact CD1-CG2 3.44Å; F262-I430 HydrophobicContact CE2-CD1 3.99Å; G314-I430 VanDerWaalsContact C-CG2 3.43Å; G314-I430 VanDerWaalsContact CA-CG2 3.48Å; E315-I430 VanDerWaalsContact N-CG2 3.33Å; E315-I430 WeakPolarHBondContact O-CG2 3.22Å; F427-I430 HydrophobicContact CB-CD1 3.6Å; F427-I430 HydrophobicContact CB-CG1 4.4Å; F427-I430 HydrophobicContact CD1-CD1 3.97Å; F427-I430 HydrophobicContact CG-CD1 4.29Å; F427-I430 WeakPolarHBondContact O-CD1 3.32Å; F427-I430 WeakPolarHBondContact O-CG1 3.44Å; T428-I430 PolarHBondContact O-N 3.47Å | ||
| 431 | K | 44.1 | Very low | 57.4 | Low | 116 Ų | 116 | 83 Ų | 83 | 50% | 0.504 | 43% | 0.432 | S | S | . | . | trans | -51.1 | 0 | -178.3 | -178.2 | 178.5 | 167.1 | -153.1 | 0 | 113.9 | K198 E315 | K198-K431 WeakPolarHBondContact CD-OXT 3.12Å; K198-K431 VanDerWaalsContact CE-C 3.45Å; K198-K431 WeakPolarHBondContact CE-OXT 3.46Å; K198-K431 PolarHBondContact NZ-O 2.81Å; K198-K431 PolarHBondContact NZ-OXT 2.94Å; E315-K431 HydrophobicContact CB-CB 4.01Å; E315-K431 HydrophobicContact CB-CD 4.3Å; E315-K431 VanDerWaalsContact O-CB 3.31Å; E315-K431 WeakPolarHBondContact O-CB 3.38Å; E315-K431 PolarHBondContact O-N 3.48Å; E315-K431 WeakPolarHBondContact OE2-CD 3.5Å; E315-K431 IonicContact OE2-NZ 3.94Å; E315-K431 PolarHBondContact OE2-NZ 3.4Å |
Retrieved 431 of 431 residues in 146 ms
(Link to these results)