| 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 | 93.6 | Very high | 90.9 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | 0 | 144 | 0 | 178 | 176.5 | 66.9 | 0 | 0 | 107.9 | V3 R18 V21 I50 Y51 V53 L60 | M1-V3 HydrophobicContact CE-CG2 3.88Å; M1-V3 HydrophobicContact CG-CG2 4.4Å; M1-R18 HydrophobicContact SD-CB 4.41Å; M1-V21 HydrophobicContact CB-CG2 4.32Å; M1-V21 HydrophobicContact SD-CG2 4.4Å; M1-I50 WeakPolarHBondContact O-CA 3.38Å; M1-Y51 PolarHBondContact N-O 3.21Å; M1-Y51 PolarHBondContact O-N 3.08Å; M1-V53 HydrophobicContact CB-CG2 3.64Å; M1-V53 HydrophobicContact CE-CG2 4.24Å; M1-V53 HydrophobicContact SD-CG2 4.38Å; M1-L60 HydrophobicContact CE-CD2 3.72Å | |||
| 2 | C | 94 | Very high | 91 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 8% | 0.081 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 138.4 | 170.5 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | R18 S19 F30 F34 E49 I50 | C2-R18 WeakPolarHBondContact O-CA 3.35Å; C2-S19 PolarHBondContact N-OG 3.02Å; C2-S19 PolarHBondContact O-N 3.15Å; C2-S19 PolarHBondContact O-OG 2.88Å; C2-F30 HydrophobicContact CB-CD2 4.13Å; C2-F30 HydrophobicContact CB-CE2 3.73Å; C2-F30 HydrophobicContact CB-CZ 4.01Å; C2-F34 HydrophobicContact CB-CZ 4.45Å; C2-E49 CarbonylContact C-O 3.53Å; C2-E49 WeakPolarHBondContact CA-O 3.03Å; C2-I50 HydrophobicContact CB-CD1 3.51Å; C2-I50 VanDerWaalsContact SG-CD1 3.55Å |
| 3 | V | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.5 | 178.9 | -174 | 0 | 0 | 0 | 0 | 108.5 | M1 F5 E15 R18 F48 E49 Y51 L60 | M1-V3 HydrophobicContact CE-CG2 3.88Å; M1-V3 HydrophobicContact CG-CG2 4.4Å; V3-F5 HydrophobicContact CB-CE2 3.89Å; V3-F5 HydrophobicContact CB-CZ 4.47Å; V3-F5 HydrophobicContact CG1-CD2 4.09Å; V3-F5 HydrophobicContact CG1-CE2 3.47Å; V3-F5 VanDerWaalsContact CG1-CE2 3.47Å; V3-F5 HydrophobicContact CG1-CZ 3.72Å; V3-E15 HydrophobicContact CG1-CG 3.65Å; V3-R18 HydrophobicContact CG1-CG 4.31Å; V3-R18 HydrophobicContact CG2-CG 4.25Å; V3-F48 WeakPolarHBondContact O-CA 3.24Å; V3-E49 PolarHBondContact N-O 2.91Å; V3-E49 PolarHBondContact O-N 3.34Å; V3-Y51 HydrophobicContact CB-CE2 4.43Å; V3-Y51 HydrophobicContact CG2-CD2 3.83Å; V3-Y51 HydrophobicContact CG2-CE2 4.02Å; V3-L60 HydrophobicContact CG1-CD1 4.35Å; V3-L60 HydrophobicContact CG2-CD2 3.87Å |
| 4 | M | 95.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.1 | 173.8 | -176.7 | -178.9 | 67.2 | 0 | 0 | 109.6 | A16 E17 F34 K47 F48 | M4-A16 HydrophobicContact CE-CB 3.72Å; M4-A16 PolarHBondContact O-N 2.9Å; M4-E17 HydrophobicContact CE-CB 4.47Å; M4-E17 PolarHBondContact N-O 3.47Å; M4-E17 PolarHBondContact O-N 2.6Å; M4-F34 HydrophobicContact CB-CD1 4.03Å; M4-F34 HydrophobicContact CB-CD2 4.08Å; M4-F34 HydrophobicContact CB-CE1 4.01Å; M4-F34 HydrophobicContact CB-CE2 4.06Å; M4-F34 HydrophobicContact CB-CG 4.05Å; M4-F34 HydrophobicContact CB-CZ 4.02Å; M4-F34 HydrophobicContact CE-CB 3.8Å; M4-F34 HydrophobicContact CE-CD1 4.25Å; M4-F34 HydrophobicContact CE-CG 4.15Å; M4-F34 HydrophobicContact SD-CB 3.67Å; M4-F34 HydrophobicContact SD-CD2 4.3Å; M4-F34 HydrophobicContact SD-CG 3.92Å; M4-K47 CarbonylContact C-O 3.46Å; M4-F48 HydrophobicContact CB-CD1 4.01Å; M4-F48 HydrophobicContact CB-CE1 3.88Å; M4-F48 HydrophobicContact CG-CD1 4.07Å; M4-F48 HydrophobicContact CG-CE1 3.57Å; M4-F48 HydrophobicContact CG-CZ 4.07Å; M4-F48 HydrophobicContact SD-CE1 3.84Å; M4-F48 HydrophobicContact SD-CZ 4.11Å |
| 5 | F | 96.3 | Very high | 91.4 | Very high | 20 Ų | 20 | 63.9 Ų | 63.9 | 9% | 0.088 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 143.5 | 171.4 | -61.3 | -100.6 | 0 | 0 | 0 | 109.9 | V3 W13 Q14 E15 L46 K47 E49 L60 | V3-F5 HydrophobicContact CB-CE2 3.89Å; V3-F5 HydrophobicContact CB-CZ 4.47Å; V3-F5 HydrophobicContact CG1-CD2 4.09Å; V3-F5 HydrophobicContact CG1-CE2 3.47Å; V3-F5 VanDerWaalsContact CG1-CE2 3.47Å; V3-F5 HydrophobicContact CG1-CZ 3.72Å; F5-W13 HydrophobicContact CB-CE3 3.83Å; F5-W13 HydrophobicContact CB-CZ3 4.49Å; F5-Q14 CarbonylContact C-O 3.48Å; F5-Q14 WeakPolarHBondContact CA-O 3.33Å; F5-Q14 WeakPolarHBondContact CB-O 3.47Å; F5-E15 HydrophobicContact CD1-CB 4.08Å; F5-E15 HydrophobicContact CE1-CB 3.9Å; F5-E15 HydrophobicContact CE1-CG 4.29Å; F5-L46 WeakPolarHBondContact O-CA 3.45Å; F5-K47 HydrophobicContact CB-CB 4.18Å; F5-K47 PolarHBondContact N-O 2.95Å; F5-K47 PolarHBondContact O-N 3.15Å; F5-E49 HydrophobicContact CD2-CG 4.2Å; F5-E49 HydrophobicContact CE2-CB 4.05Å; F5-E49 VanDerWaalsContact CE2-CD 3.5Å; F5-E49 HydrophobicContact CE2-CG 3.8Å; F5-E49 VanDerWaalsContact CE2-OE2 3.24Å; F5-E49 WeakPolarHBondContact CE2-OE2 3.09Å; F5-E49 WeakPolarHBondContact CZ-OE2 3.48Å; F5-L60 HydrophobicContact CE1-CD1 4.44Å; F5-L60 HydrophobicContact CZ-CD1 3.66Å |
| 6 | K | 95.1 | Very high | 91.5 | Very high | 72 Ų | 72 | 62.8 Ų | 62.8 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 140 | 170.2 | -64.7 | -178.2 | -166.6 | -167.8 | 0 | 109.2 | Q14 A16 I36 L46 | K6-Q14 PolarHBondContact N-O 3.17Å; K6-Q14 PolarHBondContact O-N 3.19Å; K6-A16 HydrophobicContact CD-CB 4.04Å; K6-A16 HydrophobicContact CG-CB 3.84Å; K6-I36 HydrophobicContact CD-CD1 3.83Å; K6-I36 VanDerWaalsContact CE-CD1 3.46Å; K6-I36 HydrophobicContact CG-CD1 4.34Å; K6-I36 VanDerWaalsContact NZ-CG1 3.33Å; K6-L46 HydrophobicContact CG-CD2 3.84Å |
| 7 | Q | 94.2 | Very high | 91.6 | Very high | 75 Ų | 75 | 63.4 Ų | 63.4 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 125.1 | 171.3 | -160.8 | 171.4 | 31.3 | 0 | 0 | 109.4 | G11 W13 S45 | Q7-G11 WeakPolarHBondContact CG-O 3.33Å; Q7-G11 PolarHBondContact NE2-O 3.38Å; Q7-W13 HydrophobicContact CB-CD2 4.46Å; Q7-W13 HydrophobicContact CB-CE3 4.03Å; Q7-W13 HydrophobicContact CB-CH2 4.26Å; Q7-W13 HydrophobicContact CB-CZ3 3.91Å; Q7-S45 PolarHBondContact N-O 3.17Å; Q7-S45 VanDerWaalsContact OE1-CB 3.23Å; Q7-S45 PolarHBondContact OE1-OG 2.92Å |
| 8 | S | 87 | Confident | 91.8 | Very high | 29 Ų | 29 | 63.8 Ų | 63.8 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | trans | -68.6 | 163.5 | 171.3 | 60.3 | 0 | 0 | 0 | 0 | 111.6 | Q10 G11 N12 | S8-Q10 PolarHBondContact O-N 3.5Å; S8-G11 WeakPolarHBondContact O-CA 3.37Å; S8-G11 PolarHBondContact O-N 2.94Å; S8-N12 PolarHBondContact N-O 3.24Å; S8-N12 PolarHBondContact OG-N 3.03Å; S8-N12 PolarHBondContact OG-O 2.96Å | ||
| 9 | E | 80.2 | Confident | 91.9 | Very high | 208 Ų | 208 | 60.9 Ų | 60.9 | 97% | 0.972 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -27.5 | 173.6 | -63.1 | -177.9 | 166.9 | 0 | 0 | 113.2 | G11 | E9-G11 PolarHBondContact O-N 3.17Š|
| 10 | Q | 81.6 | Confident | 91.9 | Very high | 127 Ų | 127 | 60.9 Ų | 60.9 | 59% | 0.593 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 1.2 | 177.4 | -62.5 | -179.4 | -11.9 | 0 | 0 | 113.5 | S8 N12 | S8-Q10 PolarHBondContact O-N 3.5Å; Q10-N12 VanDerWaalsContact C-N 3.33Å; Q10-N12 PolarHBondContact O-N 3.27Å |
| 11 | G | 86.6 | Confident | 91.8 | Very high | 33 Ų | 33 | 61.1 Ų | 61.1 | 34% | 0.34 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 85.1 | -3.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q7 S8 E9 | Q7-G11 WeakPolarHBondContact CG-O 3.33Å; Q7-G11 PolarHBondContact NE2-O 3.38Å; S8-G11 WeakPolarHBondContact O-CA 3.37Å; S8-G11 PolarHBondContact O-N 2.94Å; E9-G11 PolarHBondContact O-N 3.17Å |
| 12 | N | 91.9 | Very high | 91.5 | Very high | 96 Ų | 96 | 62.2 Ų | 62.2 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | trans | -80.7 | 136.1 | 179.8 | -64.3 | -42.5 | 0 | 0 | 0 | 111.4 | S8 Q10 | S8-N12 PolarHBondContact N-O 3.24Å; S8-N12 PolarHBondContact OG-N 3.03Å; S8-N12 PolarHBondContact OG-O 2.96Å; Q10-N12 VanDerWaalsContact C-N 3.33Å; Q10-N12 PolarHBondContact O-N 3.27Å | ||
| 13 | W | 94.3 | Very high | 91 | Very high | 83 Ų | 83 | 70.9 Ų | 70.9 | 31% | 0.314 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 127.6 | 171.8 | -68.4 | 106.6 | 0 | 0 | 0 | 110.9 | F5 Q7 K47 | F5-W13 HydrophobicContact CB-CE3 3.83Å; F5-W13 HydrophobicContact CB-CZ3 4.49Å; Q7-W13 HydrophobicContact CB-CD2 4.46Å; Q7-W13 HydrophobicContact CB-CE3 4.03Å; Q7-W13 HydrophobicContact CB-CH2 4.26Å; Q7-W13 HydrophobicContact CB-CZ3 3.91Å; W13-K47 HydrophobicContact CD2-CB 4.31Å; W13-K47 HydrophobicContact CD2-CD 4.4Å; W13-K47 HydrophobicContact CE3-CB 3.84Å; W13-K47 HydrophobicContact CH2-CB 3.59Å; W13-K47 HydrophobicContact CZ2-CB 4.08Å; W13-K47 HydrophobicContact CZ3-CB 3.46Å; W13-K47 VanDerWaalsContact CZ3-CB 3.46Å |
| 14 | Q | 91.6 | Very high | 90.2 | Very high | 93 Ų | 93 | 76.5 Ų | 76.5 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.4 | 174.4 | -64.6 | 179.9 | 2.5 | 0 | 0 | 108.7 | F5 K6 A16 | F5-Q14 CarbonylContact C-O 3.48Å; F5-Q14 WeakPolarHBondContact CA-O 3.33Å; F5-Q14 WeakPolarHBondContact CB-O 3.47Å; K6-Q14 PolarHBondContact N-O 3.17Å; K6-Q14 PolarHBondContact O-N 3.19Å; Q14-A16 PolarHBondContact O-N 3.35Å |
| 15 | E | 93.5 | Very high | 89.6 | Confident | 86 Ų | 86 | 77.7 Ų | 77.7 | 40% | 0.402 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 126.1 | 171.4 | -168.5 | -176.3 | 126.2 | 0 | 0 | 108.3 | V3 F5 R18 | V3-E15 HydrophobicContact CG1-CG 3.65Å; F5-E15 HydrophobicContact CD1-CB 4.08Å; F5-E15 HydrophobicContact CE1-CB 3.9Å; F5-E15 HydrophobicContact CE1-CG 4.29Å; E15-R18 IonicContact OE1-CZ 2.64Å; E15-R18 VanDerWaalsContact OE1-CZ 3.29Å; E15-R18 IonicContact OE1-NE 2.86Å; E15-R18 PolarHBondContact OE1-NE 2.99Å; E15-R18 IonicContact OE1-NH2 3.66Å; E15-R18 PolarHBondContact OE1-NH2 3.23Å; E15-R18 VanDerWaalsContact OE1-NH2 3.09Å; E15-R18 IonicContact OE2-CZ 2.7Å; E15-R18 IonicContact OE2-NE 3.29Å; E15-R18 IonicContact OE2-NH2 2.67Å; E15-R18 PolarHBondContact OE2-NH2 2.85Å |
| 16 | A | 92.4 | Very high | 88.9 | Confident | 46 Ų | 46 | 83.8 Ų | 83.8 | 38% | 0.38 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -49 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M4 K6 Q14 | M4-A16 HydrophobicContact CE-CB 3.72Å; M4-A16 PolarHBondContact O-N 2.9Å; K6-A16 HydrophobicContact CD-CB 4.04Å; K6-A16 HydrophobicContact CG-CB 3.84Å; Q14-A16 PolarHBondContact O-N 3.35Å |
| 17 | E | 93.5 | Very high | 88.3 | Confident | 72 Ų | 72 | 86.7 Ų | 86.7 | 34% | 0.336 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 162.9 | -175.1 | -168 | 164.9 | -152.4 | 0 | 0 | 111.7 | M4 H32 F34 | M4-E17 HydrophobicContact CE-CB 4.47Å; M4-E17 PolarHBondContact N-O 3.47Å; M4-E17 PolarHBondContact O-N 2.6Å; E17-H32 VanDerWaalsContact CD-CE1 3.48Å; E17-H32 WeakPolarHBondContact CG-NE2 3.27Å; E17-H32 IonicContact OE1-CE1 2.66Å; E17-H32 PolarHBondContact OE1-CE1 3.13Å; E17-H32 IonicContact OE1-NE2 3.65Å; E17-H32 PolarHBondContact OE1-NE2 2.94Å; E17-H32 VanDerWaalsContact OE1-NE2 3.16Å; E17-H32 IonicContact OE2-NE2 3.09Å; E17-F34 HydrophobicContact CB-CD1 3.7Å; E17-F34 HydrophobicContact CB-CE1 3.87Å; E17-F34 HydrophobicContact CG-CD1 3.82Å; E17-F34 HydrophobicContact CG-CE1 3.94Å; E17-F34 WeakPolarHBondContact OE2-CD1 3Å |
| 18 | R | 94.8 | Very high | 87.8 | Confident | 71 Ų | 71 | 84.5 Ų | 84.5 | 27% | 0.268 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.2 | 177 | -56.5 | -175.4 | -177.1 | -163.1 | -2.2 | 111.5 | M1 C2 V3 E15 A58 | M1-R18 HydrophobicContact SD-CB 4.41Å; C2-R18 WeakPolarHBondContact O-CA 3.35Å; V3-R18 HydrophobicContact CG1-CG 4.31Å; V3-R18 HydrophobicContact CG2-CG 4.25Å; E15-R18 IonicContact OE1-CZ 2.64Å; E15-R18 VanDerWaalsContact OE1-CZ 3.29Å; E15-R18 IonicContact OE1-NE 2.86Å; E15-R18 PolarHBondContact OE1-NE 2.99Å; E15-R18 IonicContact OE1-NH2 3.66Å; E15-R18 PolarHBondContact OE1-NH2 3.23Å; E15-R18 VanDerWaalsContact OE1-NH2 3.09Å; E15-R18 IonicContact OE2-CZ 2.7Å; E15-R18 IonicContact OE2-NE 3.29Å; E15-R18 IonicContact OE2-NH2 2.67Å; E15-R18 PolarHBondContact OE2-NH2 2.85Å; R18-A58 VanDerWaalsContact CZ-O 3.25Å; R18-A58 PolarHBondContact NH1-O 2.74Å; R18-A58 PolarHBondContact NH2-O 2.81Å |
| 19 | S | 93.6 | Very high | 87.7 | Confident | 10 Ų | 10 | 85.5 Ų | 85.5 | 7% | 0.07 | 43% | 0.428 | C | S | . | . | trans | -74.5 | 174.9 | 167.4 | 81.6 | 0 | 0 | 0 | 0 | 112.1 | C2 F30 | C2-S19 PolarHBondContact N-OG 3.02Å; C2-S19 PolarHBondContact O-N 3.15Å; C2-S19 PolarHBondContact O-OG 2.88Å; S19-F30 VanDerWaalsContact OG-CD1 3.26Å; S19-F30 WeakPolarHBondContact OG-CD1 3.39Å; S19-F30 WeakPolarHBondContact OG-CE1 3.19Å | ||
| 20 | E | 91.6 | Very high | 88.1 | Confident | 60 Ų | 60 | 76.6 Ų | 76.6 | 28% | 0.28 | 39% | 0.386 | S | S | . | . | trans | -66.7 | 163 | 167 | 77.9 | -82.8 | -163.3 | 0 | 0 | 113.2 | M22 F30 V31 H32 R140 | E20-M22 HydrophobicContact CG-CG 4.42Å; E20-F30 WeakPolarHBondContact OE1-CA 3.31Å; E20-V31 PolarHBondContact OE1-N 3.36Å; E20-H32 WeakPolarHBondContact OE2-CB 3.25Å; E20-H32 PolarHBondContact OE2-N 2.7Å; E20-H32 VanDerWaalsContact OE2-N 3.15Å; E20-R140 IonicContact OE1-NH1 3.34Å | ||
| 21 | V | 91.5 | Very high | 88.6 | Confident | 66 Ų | 66 | 72.4 Ų | 72.4 | 40% | 0.4 | 37% | 0.369 | S | S | . | . | trans | -91.6 | 109.1 | 174.2 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | M1 R23 V53 | M1-V21 HydrophobicContact CB-CG2 4.32Å; M1-V21 HydrophobicContact SD-CG2 4.4Å; V21-R23 PolarHBondContact O-N 3.24Å; V21-V53 HydrophobicContact CG1-CB 3.78Å; V21-V53 HydrophobicContact CG1-CG1 4.2Å; V21-V53 HydrophobicContact CG1-CG2 3.87Å; V21-V53 HydrophobicContact CG2-CB 4.46Å; V21-V53 HydrophobicContact CG2-CG1 4.33Å; V21-V53 HydrophobicContact CG2-CG2 3.99Å | ||
| 22 | M | 86.4 | Confident | 88.8 | Confident | 43 Ų | 43 | 73.7 Ų | 73.7 | 21% | 0.212 | 37% | 0.366 | C | S | . | . | trans | -85.8 | 100.5 | 173.6 | -66.7 | -160.3 | 79.1 | 0 | 0 | 111.7 | E20 N25 P28 D29 F30 | E20-M22 HydrophobicContact CG-CG 4.42Å; M22-N25 HydrophobicContact CB-CB 4.37Å; M22-N25 WeakPolarHBondContact CE-ND2 3.29Å; M22-P28 HydrophobicContact CB-CB 4.02Å; M22-P28 HydrophobicContact CG-CB 4.17Å; M22-P28 VanDerWaalsContact SD-CA 3.51Å; M22-P28 HydrophobicContact SD-CB 3.52Å; M22-P28 VanDerWaalsContact SD-CB 3.52Å; M22-D29 PolarHBondContact SD-N 2.87Å; M22-F30 HydrophobicContact CG-CD1 4.05Å; M22-F30 HydrophobicContact CG-CE1 4.03Å; M22-F30 HydrophobicContact SD-CD1 4.25Å; M22-F30 HydrophobicContact SD-CE1 4.46Å | ||
| 23 | R | 83.8 | Confident | 88.7 | Confident | 195 Ų | 195 | 72.9 Ų | 72.9 | 74% | 0.736 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 135.9 | -179.6 | -62.2 | -175.6 | -178.7 | 178.5 | 1.8 | 112.1 | V21 N25 | V21-R23 PolarHBondContact O-N 3.24Å; R23-N25 VanDerWaalsContact C-N 3.29Å; R23-N25 PolarHBondContact O-N 3.16Å |
| 24 | N | 79.5 | Confident | 88.6 | Confident | 117 Ų | 117 | 71.2 Ų | 71.2 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 37.8 | 172.9 | -59 | -16.5 | 0 | 0 | 0 | 114.2 | ||
| 25 | N | 81.5 | Confident | 88.5 | Confident | 29 Ų | 29 | 70.4 Ų | 70.4 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | trans | -123.6 | 115.4 | 178.2 | -170.2 | -3 | 0 | 0 | 0 | 111 | M22 R23 N27 | M22-N25 HydrophobicContact CB-CB 4.37Å; M22-N25 WeakPolarHBondContact CE-ND2 3.29Å; R23-N25 VanDerWaalsContact C-N 3.29Å; R23-N25 PolarHBondContact O-N 3.16Å; N25-N27 VanDerWaalsContact C-N 3.28Å; N25-N27 PolarHBondContact ND2-O 3.47Å; N25-N27 PolarHBondContact OD1-N 3.22Å; N25-N27 PolarHBondContact OD1-O 2.95Å; N25-N27 VanDerWaalsContact OD1-O 3.06Å | ||
| 26 | L | 82.7 | Confident | 88.4 | Confident | 149 Ų | 149 | 68.1 Ų | 68.1 | 78% | 0.78 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -73.7 | -19.9 | 176.8 | -65.3 | 175 | 0 | 0 | 0 | 113 | ||
| 27 | N | 81.9 | Confident | 88.3 | Confident | 133 Ų | 133 | 72.2 Ų | 72.2 | 71% | 0.711 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -129.1 | 73.2 | 177.9 | -58.3 | -81.8 | 0 | 0 | 0 | 108.1 | N25 | N25-N27 VanDerWaalsContact C-N 3.28Å; N25-N27 PolarHBondContact ND2-O 3.47Å; N25-N27 PolarHBondContact OD1-N 3.22Å; N25-N27 PolarHBondContact OD1-O 2.95Å; N25-N27 VanDerWaalsContact OD1-O 3.06Å |
| 28 | P | 84.9 | Confident | 88.2 | Confident | 29 Ų | 29 | 74 Ų | 74 | 19% | 0.188 | 36% | 0.364 | C | S | . | . | trans | -63.7 | 140.3 | -179.9 | 28.8 | -34.4 | 0 | 0 | 0 | 110.6 | M22 F30 M88 | M22-P28 HydrophobicContact CB-CB 4.02Å; M22-P28 HydrophobicContact CG-CB 4.17Å; M22-P28 VanDerWaalsContact SD-CA 3.51Å; M22-P28 HydrophobicContact SD-CB 3.52Å; M22-P28 VanDerWaalsContact SD-CB 3.52Å; P28-F30 HydrophobicContact CB-CE1 3.98Å; P28-F30 HydrophobicContact CB-CE2 4.13Å; P28-F30 HydrophobicContact CB-CZ 3.7Å; P28-F30 HydrophobicContact CG-CE2 4.13Å; P28-F30 HydrophobicContact CG-CZ 3.86Å; P28-M88 HydrophobicContact CG-CE 4.27Å; P28-M88 HydrophobicContact CG-SD 3.94Å; P28-M88 VanDerWaalsContact O-CE 3.23Å; P28-M88 WeakPolarHBondContact O-CE 3.42Å | ||
| 29 | D | 84.1 | Confident | 87.9 | Confident | 50 Ų | 50 | 74.9 Ų | 74.9 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | trans | -124.8 | 101.4 | 173.2 | 169.9 | 29 | 0 | 0 | 0 | 106 | M22 I137 R140 | M22-D29 PolarHBondContact SD-N 2.87Å; D29-I137 VanDerWaalsContact CG-CG2 3.41Å; D29-I137 VanDerWaalsContact OD1-CG2 3.25Å; D29-I137 WeakPolarHBondContact OD1-CG2 3.13Å; D29-I137 VanDerWaalsContact OD2-CB 3.26Å; D29-I137 WeakPolarHBondContact OD2-CB 3.13Å; D29-I137 WeakPolarHBondContact OD2-CG2 3.35Å; D29-R140 PolarHBondContact O-NH1 2.83Å; D29-R140 PolarHBondContact O-NH2 2.84Å; D29-R140 IonicContact OD2-NH2 2.72Å; D29-R140 PolarHBondContact OD2-NH2 3.46Å | ||
| 30 | F | 89.5 | Confident | 87.7 | Confident | 20 Ų | 20 | 82.7 Ų | 82.7 | 9% | 0.088 | 40% | 0.404 | C | S | . | . | trans | -77.8 | 132 | -170.4 | -59.7 | -71.5 | 0 | 0 | 0 | 110.5 | C2 S19 E20 M22 P28 K33 I50 M88 | C2-F30 HydrophobicContact CB-CD2 4.13Å; C2-F30 HydrophobicContact CB-CE2 3.73Å; C2-F30 HydrophobicContact CB-CZ 4.01Å; S19-F30 VanDerWaalsContact OG-CD1 3.26Å; S19-F30 WeakPolarHBondContact OG-CD1 3.39Å; S19-F30 WeakPolarHBondContact OG-CE1 3.19Å; E20-F30 WeakPolarHBondContact OE1-CA 3.31Å; M22-F30 HydrophobicContact CG-CD1 4.05Å; M22-F30 HydrophobicContact CG-CE1 4.03Å; M22-F30 HydrophobicContact SD-CD1 4.25Å; M22-F30 HydrophobicContact SD-CE1 4.46Å; P28-F30 HydrophobicContact CB-CE1 3.98Å; P28-F30 HydrophobicContact CB-CE2 4.13Å; P28-F30 HydrophobicContact CB-CZ 3.7Å; P28-F30 HydrophobicContact CG-CE2 4.13Å; P28-F30 HydrophobicContact CG-CZ 3.86Å; F30-K33 PolarHBondContact O-NZ 2.93Å; F30-I50 HydrophobicContact CE2-CD1 4.36Å; F30-M88 HydrophobicContact CD2-CE 3.69Å; F30-M88 HydrophobicContact CE2-CE 3.45Å; F30-M88 VanDerWaalsContact CE2-CE 3.45Å; F30-M88 HydrophobicContact CE2-SD 3.88Å | ||
| 31 | V | 90.9 | Very high | 87.6 | Confident | 39 Ų | 39 | 87.8 Ų | 87.8 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -74 | -41 | 171.7 | 168.8 | 0 | 0 | 0 | 0 | 110 | E20 K33 I137 V138 R140 | E20-V31 PolarHBondContact OE1-N 3.36Å; V31-K33 VanDerWaalsContact O-CE 3.3Å; V31-K33 WeakPolarHBondContact O-CE 3.45Å; V31-K33 PolarHBondContact O-N 3.47Å; V31-I137 HydrophobicContact CG2-CD1 4.23Å; V31-I137 HydrophobicContact CG2-CG1 4.4Å; V31-I137 HydrophobicContact CG2-CG2 3.84Å; V31-V138 WeakPolarHBondContact CG1-O 3.44Å; V31-R140 HydrophobicContact CG2-CG 4.01Å |
| 32 | H | 90.8 | Very high | 87.4 | Confident | 61 Ų | 61 | 86.5 Ų | 86.5 | 28% | 0.282 | 42% | 0.424 | S | S | . | . | trans | -62.2 | 132.3 | 177.6 | -177.5 | 77.5 | 0 | 0 | 0 | 111 | E17 E20 F34 | E17-H32 VanDerWaalsContact CD-CE1 3.48Å; E17-H32 WeakPolarHBondContact CG-NE2 3.27Å; E17-H32 IonicContact OE1-CE1 2.66Å; E17-H32 PolarHBondContact OE1-CE1 3.13Å; E17-H32 IonicContact OE1-NE2 3.65Å; E17-H32 PolarHBondContact OE1-NE2 2.94Å; E17-H32 VanDerWaalsContact OE1-NE2 3.16Å; E17-H32 IonicContact OE2-NE2 3.09Å; E20-H32 WeakPolarHBondContact OE2-CB 3.25Å; E20-H32 PolarHBondContact OE2-N 2.7Å; E20-H32 VanDerWaalsContact OE2-N 3.15Å; H32-F34 AromaticContact CD2-CD1 3.9Å; H32-F34 AromaticContact CD2-CE1 3.74Å; H32-F34 AromaticContact NE2-CD1 3.65Å; H32-F34 AromaticContact NE2-CE1 3.78Å | ||
| 33 | K | 89.6 | Confident | 87.6 | Confident | 78 Ų | 78 | 94 Ų | 94 | 34% | 0.339 | 45% | 0.451 | S | S | . | . | trans | -118.1 | 133.6 | 176.7 | -50.7 | -56.3 | 171.3 | -163.8 | 0 | 108.4 | F30 V31 T136 I137 | F30-K33 PolarHBondContact O-NZ 2.93Å; V31-K33 VanDerWaalsContact O-CE 3.3Å; V31-K33 WeakPolarHBondContact O-CE 3.45Å; V31-K33 PolarHBondContact O-N 3.47Å; K33-T136 HydrophobicContact CD-CG2 4.28Å; K33-I137 WeakPolarHBondContact CE-O 3.46Å; K33-I137 PolarHBondContact NZ-O 2.91Å | ||
| 34 | F | 92 | Very high | 88.1 | Confident | 49 Ų | 49 | 86.2 Ų | 86.2 | 22% | 0.215 | 42% | 0.422 | C | S | . | . | trans | -77.7 | 132.3 | 175.8 | -55.6 | -62.6 | 0 | 0 | 0 | 110 | C2 M4 E17 H32 F48 | C2-F34 HydrophobicContact CB-CZ 4.45Å; M4-F34 HydrophobicContact CB-CD1 4.03Å; M4-F34 HydrophobicContact CB-CD2 4.08Å; M4-F34 HydrophobicContact CB-CE1 4.01Å; M4-F34 HydrophobicContact CB-CE2 4.06Å; M4-F34 HydrophobicContact CB-CG 4.05Å; M4-F34 HydrophobicContact CB-CZ 4.02Å; M4-F34 HydrophobicContact CE-CB 3.8Å; M4-F34 HydrophobicContact CE-CD1 4.25Å; M4-F34 HydrophobicContact CE-CG 4.15Å; M4-F34 HydrophobicContact SD-CB 3.67Å; M4-F34 HydrophobicContact SD-CD2 4.3Å; M4-F34 HydrophobicContact SD-CG 3.92Å; E17-F34 HydrophobicContact CB-CD1 3.7Å; E17-F34 HydrophobicContact CB-CE1 3.87Å; E17-F34 HydrophobicContact CG-CD1 3.82Å; E17-F34 HydrophobicContact CG-CE1 3.94Å; E17-F34 WeakPolarHBondContact OE2-CD1 3Å; H32-F34 AromaticContact CD2-CD1 3.9Å; H32-F34 AromaticContact CD2-CE1 3.74Å; H32-F34 AromaticContact NE2-CD1 3.65Å; H32-F34 AromaticContact NE2-CE1 3.78Å; F34-F48 HydrophobicContact CD2-CD1 4.28Å; F34-F48 AromaticContact CD2-CE1 3.78Å; F34-F48 HydrophobicContact CD2-CE1 3.78Å; F34-F48 HydrophobicContact CE2-CD1 4.09Å; F34-F48 HydrophobicContact CE2-CE1 4.07Å | ||
| 35 | T | 90.1 | Very high | 88.9 | Confident | 75 Ų | 75 | 81.4 Ų | 81.4 | 46% | 0.46 | 40% | 0.398 | S | S | . | . | trans | -107.4 | 135.7 | 174.1 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | Q95 | T35-Q95 PolarHBondContact OG1-OE1 2.91Š| ||
| 36 | I | 91.2 | Very high | 89.5 | Confident | 39 Ų | 39 | 80.2 Ų | 80.2 | 20% | 0.2 | 39% | 0.391 | C | S | . | . | trans | -145 | 135.1 | 179.1 | -179.4 | 165.8 | 0 | 0 | 0 | 109.6 | K6 L46 L73 | K6-I36 HydrophobicContact CD-CD1 3.83Å; K6-I36 VanDerWaalsContact CE-CD1 3.46Å; K6-I36 HydrophobicContact CG-CD1 4.34Å; K6-I36 VanDerWaalsContact NZ-CG1 3.33Å; I36-L46 HydrophobicContact CD1-CD2 3.74Å; I36-L73 HydrophobicContact CD1-CD2 4.07Å; I36-L73 HydrophobicContact CG1-CD2 4.05Å; I36-L73 HydrophobicContact CG2-CD1 3.97Å; I36-L73 HydrophobicContact CG2-CD2 3.7Å | ||
| 37 | D | 91 | Very high | 90 | Very high | 132 Ų | 132 | 74 Ų | 74 | 71% | 0.706 | 36% | 0.358 | S | S | * | . | trans | -67.8 | 130.6 | 171.4 | -56.2 | -40 | 0 | 0 | 0 | 109.5 | Q44 | D37-Q44 PolarHBondContact O-NE2 3.21Š| ||
| 38 | Y | 90.4 | Very high | 90.6 | Very high | 108 Ų | 108 | 68.3 Ų | 68.3 | 42% | 0.424 | 33% | 0.327 | S | S | . | . | trans | -91.6 | 124.6 | 177.2 | 177.5 | -113.5 | 0 | 0 | 0 | 110.6 | F40 L73 V77 | Y38-F40 HydrophobicContact CE1-CB 4.11Å; Y38-L73 HydrophobicContact CD2-CD2 3.73Å; Y38-L73 HydrophobicContact CD2-CG 3.83Å; Y38-L73 HydrophobicContact CE2-CG 4.45Å; Y38-L73 HydrophobicContact CG-CD2 4.44Å; Y38-V77 HydrophobicContact CD2-CG2 4.3Å; Y38-V77 HydrophobicContact CE2-CG2 4.35Å | ||
| 39 | E | 89.2 | Confident | 91.1 | Very high | 91 Ų | 91 | 67.7 Ų | 67.7 | 43% | 0.425 | 32% | 0.322 | S | S | . | . | trans | -115.4 | 102.8 | 178.3 | -67.1 | 171.7 | -167.8 | 0 | 0 | 108.5 | E41 A42 | E39-E41 PolarHBondContact O-N 2.89Å; E39-A42 HydrophobicContact CB-CB 3.85Å; E39-A42 PolarHBondContact O-N 3.21Å; E39-A42 VanDerWaalsContact O-N 3.13Å; E39-A42 VanDerWaalsContact O-O 3.07Å; E39-A42 WeakPolarHBondContact OE2-CB 3.45Å | ||
| 40 | F | 88.7 | Confident | 91.5 | Very high | 174 Ų | 174 | 66.1 Ų | 66.1 | 76% | 0.763 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -32.6 | -177.3 | 174.9 | -101.5 | 0 | 0 | 0 | 112.4 | Y38 A42 | Y38-F40 HydrophobicContact CE1-CB 4.11Å; F40-A42 VanDerWaalsContact C-N 3.31Å |
| 41 | E | 89.2 | Confident | 91.7 | Very high | 166 Ų | 166 | 66.2 Ų | 66.2 | 78% | 0.776 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10 | -179.6 | 66.7 | -90.4 | -142.9 | 0 | 0 | 114.1 | E39 | E39-E41 PolarHBondContact O-N 2.89Š|
| 42 | A | 88.5 | Confident | 91.8 | Very high | 39 Ų | 39 | 68.5 Ų | 68.5 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -121.9 | 140.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E39 F40 Q44 | E39-A42 HydrophobicContact CB-CB 3.85Å; E39-A42 PolarHBondContact O-N 3.21Å; E39-A42 VanDerWaalsContact O-N 3.13Å; E39-A42 VanDerWaalsContact O-O 3.07Å; E39-A42 WeakPolarHBondContact OE2-CB 3.45Å; F40-A42 VanDerWaalsContact C-N 3.31Å; A42-Q44 PolarHBondContact O-N 2.53Å |
| 43 | R | 90.4 | Very high | 91.9 | Very high | 202 Ų | 202 | 67.4 Ų | 67.4 | 76% | 0.762 | 32% | 0.322 | S | S | * | . | trans | -79.4 | 104.4 | 171.8 | -175.7 | 179 | -178.9 | 141.7 | 6.2 | 109.7 | T72 | R43-T72 HydrophobicContact CG-CG2 4.38Š| ||
| 44 | Q | 94.1 | Very high | 91.8 | Very high | 30 Ų | 30 | 68.2 Ų | 68.2 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | trans | -97.2 | 96.9 | 177.8 | -59.8 | 174.3 | -76.1 | 0 | 0 | 110.7 | D37 A42 T72 L73 | D37-Q44 PolarHBondContact O-NE2 3.21Å; A42-Q44 PolarHBondContact O-N 2.53Å; Q44-T72 CarbonylContact O-C 3.21Å; Q44-T72 WeakPolarHBondContact O-CA 3.33Å; Q44-L73 HydrophobicContact CB-CB 4.04Å; Q44-L73 PolarHBondContact O-N 3.06Å | ||
| 45 | S | 95.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 68.4 Ų | 68.4 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 131.6 | 176.9 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | Q7 | Q7-S45 PolarHBondContact N-O 3.17Å; Q7-S45 VanDerWaalsContact OE1-CB 3.23Å; Q7-S45 PolarHBondContact OE1-OG 2.92Å |
| 46 | L | 95 | Very high | 91.4 | Very high | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 146.6 | -178.7 | -58.9 | 179.6 | 0 | 0 | 0 | 110.8 | F5 K6 I36 F48 E70 C71 L73 L76 | F5-L46 WeakPolarHBondContact O-CA 3.45Å; K6-L46 HydrophobicContact CG-CD2 3.84Å; I36-L46 HydrophobicContact CD1-CD2 3.74Å; L46-F48 HydrophobicContact CB-CE2 3.86Å; L46-F48 HydrophobicContact CB-CZ 4.33Å; L46-F48 HydrophobicContact CD1-CE2 4.32Å; L46-F48 HydrophobicContact CD1-CZ 4.18Å; L46-E70 WeakPolarHBondContact O-CA 3.42Å; L46-C71 PolarHBondContact N-O 2.87Å; L46-C71 PolarHBondContact O-N 3.1Å; L46-L73 HydrophobicContact CD1-CB 4.03Å; L46-L73 HydrophobicContact CD1-CD1 4.11Å; L46-L76 HydrophobicContact CD1-CD1 3.99Å |
| 47 | K | 93.8 | Very high | 91.3 | Very high | 19 Ų | 19 | 70.8 Ų | 70.8 | 8% | 0.083 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 131.5 | 172.5 | 174.4 | -179.4 | 64 | 151.7 | 0 | 109.1 | M4 F5 W13 E49 V69 E70 | M4-K47 CarbonylContact C-O 3.46Å; F5-K47 HydrophobicContact CB-CB 4.18Å; F5-K47 PolarHBondContact N-O 2.95Å; F5-K47 PolarHBondContact O-N 3.15Å; W13-K47 HydrophobicContact CD2-CB 4.31Å; W13-K47 HydrophobicContact CD2-CD 4.4Å; W13-K47 HydrophobicContact CE3-CB 3.84Å; W13-K47 HydrophobicContact CH2-CB 3.59Å; W13-K47 HydrophobicContact CZ2-CB 4.08Å; W13-K47 HydrophobicContact CZ3-CB 3.46Å; W13-K47 VanDerWaalsContact CZ3-CB 3.46Å; K47-E49 HydrophobicContact CD-CG 4.25Å; K47-E49 WeakPolarHBondContact CD-OE1 3.5Å; K47-E49 VanDerWaalsContact CE-OE1 3.27Å; K47-E49 WeakPolarHBondContact CE-OE1 3.35Å; K47-E49 HydrophobicContact CG-CG 4.11Å; K47-E49 IonicContact NZ-OE1 2.76Å; K47-E49 PolarHBondContact NZ-OE1 3.22Å; K47-V69 CarbonylContact C-O 3.59Å; K47-V69 WeakPolarHBondContact CA-O 3.4Å; K47-E70 HydrophobicContact CB-CG 3.94Å; K47-E70 HydrophobicContact CD-CG 4.05Å; K47-E70 HydrophobicContact CG-CG 3.74Å |
| 48 | F | 94 | Very high | 91 | Very high | 13 Ų | 13 | 67.8 Ų | 67.8 | 6% | 0.057 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.2 | 176.5 | -58.6 | -92 | 0 | 0 | 0 | 108.8 | V3 M4 F34 L46 R68 V69 L76 I90 | V3-F48 WeakPolarHBondContact O-CA 3.24Å; M4-F48 HydrophobicContact CB-CD1 4.01Å; M4-F48 HydrophobicContact CB-CE1 3.88Å; M4-F48 HydrophobicContact CG-CD1 4.07Å; M4-F48 HydrophobicContact CG-CE1 3.57Å; M4-F48 HydrophobicContact CG-CZ 4.07Å; M4-F48 HydrophobicContact SD-CE1 3.84Å; M4-F48 HydrophobicContact SD-CZ 4.11Å; F34-F48 HydrophobicContact CD2-CD1 4.28Å; F34-F48 AromaticContact CD2-CE1 3.78Å; F34-F48 HydrophobicContact CD2-CE1 3.78Å; F34-F48 HydrophobicContact CE2-CD1 4.09Å; F34-F48 HydrophobicContact CE2-CE1 4.07Å; L46-F48 HydrophobicContact CB-CE2 3.86Å; L46-F48 HydrophobicContact CB-CZ 4.33Å; L46-F48 HydrophobicContact CD1-CE2 4.32Å; L46-F48 HydrophobicContact CD1-CZ 4.18Å; F48-R68 CarbonylContact O-C 3.54Å; F48-R68 WeakPolarHBondContact O-CA 3.26Å; F48-R68 WeakPolarHBondContact O-CB 3.24Å; F48-V69 HydrophobicContact CB-CG1 3.86Å; F48-V69 HydrophobicContact CD2-CG1 4.21Å; F48-V69 HydrophobicContact CG-CG1 4.46Å; F48-V69 PolarHBondContact N-O 3.01Å; F48-V69 PolarHBondContact O-N 3.26Å; F48-L76 HydrophobicContact CE2-CD1 4.32Å; F48-I90 HydrophobicContact CB-CD1 3.93Å; F48-I90 HydrophobicContact CD1-CD1 4.25Å; F48-I90 HydrophobicContact CD2-CD1 3.31Å; F48-I90 HydrophobicContact CE2-CD1 3.79Å; F48-I90 HydrophobicContact CE2-CG2 4.33Å; F48-I90 HydrophobicContact CG-CD1 3.56Å; F48-I90 HydrophobicContact CZ-CD1 4.43Å; F48-I90 HydrophobicContact CZ-CG2 4.4Å |
| 49 | E | 94.5 | Very high | 91 | Very high | 16 Ų | 16 | 68.7 Ų | 68.7 | 8% | 0.075 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.7 | 178.8 | -62.6 | -176.8 | 171 | 0 | 0 | 109.9 | C2 V3 F5 K47 Y51 F65 G67 R68 | C2-E49 CarbonylContact C-O 3.53Å; C2-E49 WeakPolarHBondContact CA-O 3.03Å; V3-E49 PolarHBondContact N-O 2.91Å; V3-E49 PolarHBondContact O-N 3.34Å; F5-E49 HydrophobicContact CD2-CG 4.2Å; F5-E49 HydrophobicContact CE2-CB 4.05Å; F5-E49 VanDerWaalsContact CE2-CD 3.5Å; F5-E49 HydrophobicContact CE2-CG 3.8Å; F5-E49 VanDerWaalsContact CE2-OE2 3.24Å; F5-E49 WeakPolarHBondContact CE2-OE2 3.09Å; F5-E49 WeakPolarHBondContact CZ-OE2 3.48Å; K47-E49 HydrophobicContact CD-CG 4.25Å; K47-E49 WeakPolarHBondContact CD-OE1 3.5Å; K47-E49 VanDerWaalsContact CE-OE1 3.27Å; K47-E49 WeakPolarHBondContact CE-OE1 3.35Å; K47-E49 HydrophobicContact CG-CG 4.11Å; K47-E49 IonicContact NZ-OE1 2.76Å; K47-E49 PolarHBondContact NZ-OE1 3.22Å; E49-Y51 HydrophobicContact CB-CD2 4.22Å; E49-Y51 HydrophobicContact CB-CE2 3.47Å; E49-Y51 VanDerWaalsContact CB-CE2 3.47Å; E49-Y51 PolarHBondContact OE2-OH 3.35Å; E49-F65 HydrophobicContact CB-CE2 4.12Å; E49-F65 HydrophobicContact CG-CE2 4.14Å; E49-G67 WeakPolarHBondContact CA-O 3.19Å; E49-R68 HydrophobicContact CG-CB 3.93Å |
| 50 | I | 93.3 | Very high | 91.2 | Very high | 17 Ų | 17 | 65.7 Ų | 65.7 | 9% | 0.087 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.7 | 177.5 | -54.3 | -58.3 | 0 | 0 | 0 | 109.1 | M1 C2 F30 L66 G67 I86 M88 | M1-I50 WeakPolarHBondContact O-CA 3.38Å; C2-I50 HydrophobicContact CB-CD1 3.51Å; C2-I50 VanDerWaalsContact SG-CD1 3.55Å; F30-I50 HydrophobicContact CE2-CD1 4.36Å; I50-L66 HydrophobicContact CB-CB 4.29Å; I50-L66 HydrophobicContact CG2-CB 4.12Å; I50-L66 HydrophobicContact CG2-CD1 4Å; I50-L66 PolarHBondContact O-N 3.33Å; I50-G67 PolarHBondContact N-O 2.93Å; I50-I86 HydrophobicContact CD1-CD1 4.36Å; I50-I86 HydrophobicContact CG1-CD1 3.68Å; I50-M88 HydrophobicContact CD1-SD 4.2Å |
| 51 | Y | 93.9 | Very high | 91.3 | Very high | 23 Ų | 23 | 64.1 Ų | 64.1 | 9% | 0.09 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 137.9 | 179.9 | -68.8 | -90.8 | 0 | 0 | 0 | 111.3 | M1 V3 E49 L60 H63 D64 F65 | M1-Y51 PolarHBondContact N-O 3.21Å; M1-Y51 PolarHBondContact O-N 3.08Å; V3-Y51 HydrophobicContact CB-CE2 4.43Å; V3-Y51 HydrophobicContact CG2-CD2 3.83Å; V3-Y51 HydrophobicContact CG2-CE2 4.02Å; E49-Y51 HydrophobicContact CB-CD2 4.22Å; E49-Y51 HydrophobicContact CB-CE2 3.47Å; E49-Y51 VanDerWaalsContact CB-CE2 3.47Å; E49-Y51 PolarHBondContact OE2-OH 3.35Å; Y51-L60 HydrophobicContact CD2-CD2 4.2Å; Y51-L60 HydrophobicContact CE1-CB 4.06Å; Y51-L60 HydrophobicContact CE2-CD1 4.09Å; Y51-L60 HydrophobicContact CE2-CD2 4.08Å; Y51-L60 HydrophobicContact CE2-CG 4.47Å; Y51-H63 HydrophobicContact CD1-CB 3.89Å; Y51-H63 HydrophobicContact CG-CB 4.34Å; Y51-D64 CarbonylContact C-O 3.52Å; Y51-D64 VanDerWaalsContact CA-O 3.27Å; Y51-D64 WeakPolarHBondContact CA-O 3.23Å; Y51-F65 HydrophobicContact CD1-CB 4.31Å; Y51-F65 HydrophobicContact CE1-CB 4.04Å; Y51-F65 HydrophobicContact CE1-CD2 4.13Å |
| 52 | D | 93.3 | Very high | 91.5 | Very high | 87 Ų | 87 | 61.4 Ų | 61.4 | 47% | 0.465 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 133.7 | 159.2 | -163.1 | 6.2 | 0 | 0 | 0 | 109.3 | H63 D64 L66 | D52-H63 WeakPolarHBondContact O-CA 3.31Å; D52-H63 VanDerWaalsContact O-CB 3.26Å; D52-H63 WeakPolarHBondContact O-CB 3.38Å; D52-D64 HydrophobicContact CB-CB 4.18Å; D52-D64 PolarHBondContact N-O 2.93Å; D52-D64 PolarHBondContact O-N 3.33Å; D52-D64 VanDerWaalsContact O-N 3.08Å; D52-L66 HydrophobicContact CB-CD1 4.05Å; D52-L66 HydrophobicContact CB-CD2 4.25Å; D52-L66 HydrophobicContact CB-CG 4.25Å |
| 53 | V | 92 | Very high | 91.8 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 23% | 0.23 | 32% | 0.321 | C | S | . | . | trans | -105.2 | 100.1 | -167.7 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | M1 V21 S55 | M1-V53 HydrophobicContact CB-CG2 3.64Å; M1-V53 HydrophobicContact CE-CG2 4.24Å; M1-V53 HydrophobicContact SD-CG2 4.38Å; V21-V53 HydrophobicContact CG1-CB 3.78Å; V21-V53 HydrophobicContact CG1-CG1 4.2Å; V21-V53 HydrophobicContact CG1-CG2 3.87Å; V21-V53 HydrophobicContact CG2-CB 4.46Å; V21-V53 HydrophobicContact CG2-CG1 4.33Å; V21-V53 HydrophobicContact CG2-CG2 3.99Å; V53-S55 WeakPolarHBondContact CG1-O 3.46Å | ||
| 54 | D | 89.1 | Confident | 92 | Very high | 95 Ų | 95 | 55.3 Ų | 55.3 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | trans | -87 | -17.1 | -175.9 | -56 | -63.8 | 0 | 0 | 0 | 114.8 | D64 | D54-D64 PolarHBondContact OD2-N 2.87Š| ||
| 55 | S | 88.6 | Confident | 92 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -146.2 | 168.1 | -174.1 | 74.9 | 0 | 0 | 0 | 0 | 112.3 | V53 C57 H63 | V53-S55 WeakPolarHBondContact CG1-O 3.46Å; S55-C57 PolarHBondContact O-N 3.42Å; S55-C57 WeakPolarHBondContact OG-CB 3.27Å; S55-C57 PolarHBondContact OG-N 3.48Å; S55-H63 PolarHBondContact O-CE1 3.18Å |
| 56 | A | 85.1 | Confident | 91.9 | Very high | 116 Ų | 116 | 63.5 Ų | 63.5 | 96% | 0.959 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -79.3 | 5.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 57 | C | 87.2 | Confident | 91.7 | Very high | 49 Ų | 49 | 63.9 Ų | 63.9 | 33% | 0.331 | 35% | 0.353 | S | S | . | . | trans | -71 | 139.4 | 178.7 | -166.6 | 0 | 0 | 0 | 0 | 110.3 | S55 K59 K62 H63 | S55-C57 PolarHBondContact O-N 3.42Å; S55-C57 WeakPolarHBondContact OG-CB 3.27Å; S55-C57 PolarHBondContact OG-N 3.48Å; C57-K59 VanDerWaalsContact C-N 3.31Å; C57-K62 HydrophobicContact CB-CB 3.97Å; C57-K62 HydrophobicContact CB-CG 4Å; C57-H63 PolarHBondContact O-CE1 3.38Å; C57-H63 PolarHBondContact O-NE2 3.29Å | ||
| 58 | A | 85.8 | Confident | 91.7 | Very high | 69 Ų | 69 | 69.5 Ų | 69.5 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | trans | -79.4 | -13 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R18 L60 | R18-A58 VanDerWaalsContact CZ-O 3.25Å; R18-A58 PolarHBondContact NH1-O 2.74Å; R18-A58 PolarHBondContact NH2-O 2.81Å; A58-L60 PolarHBondContact O-N 2.76Å | ||
| 59 | K | 89.8 | Confident | 91.5 | Very high | 127 Ų | 127 | 69.5 Ų | 69.5 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | trans | -77.9 | 125.4 | -176.8 | -61.8 | -174.7 | 174 | -170.8 | 0 | 110.5 | C57 E61 K62 | C57-K59 VanDerWaalsContact C-N 3.31Å; K59-E61 HydrophobicContact CB-CG 3.98Å; K59-E61 WeakPolarHBondContact CD-OE1 3.39Å; K59-E61 PolarHBondContact O-N 3.03Å; K59-K62 HydrophobicContact CB-CG 4.23Å; K59-K62 WeakPolarHBondContact O-CB 3.34Å; K59-K62 PolarHBondContact O-N 2.87Å | ||
| 60 | L | 92.7 | Very high | 91.4 | Very high | 28 Ų | 28 | 73.2 Ų | 73.2 | 15% | 0.147 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -61 | -28.5 | -177.8 | -60.8 | 178.7 | 0 | 0 | 0 | 113.4 | M1 V3 F5 Y51 A58 K62 H63 | M1-L60 HydrophobicContact CE-CD2 3.72Å; V3-L60 HydrophobicContact CG1-CD1 4.35Å; V3-L60 HydrophobicContact CG2-CD2 3.87Å; F5-L60 HydrophobicContact CE1-CD1 4.44Å; F5-L60 HydrophobicContact CZ-CD1 3.66Å; Y51-L60 HydrophobicContact CD2-CD2 4.2Å; Y51-L60 HydrophobicContact CE1-CB 4.06Å; Y51-L60 HydrophobicContact CE2-CD1 4.09Å; Y51-L60 HydrophobicContact CE2-CD2 4.08Å; Y51-L60 HydrophobicContact CE2-CG 4.47Å; A58-L60 PolarHBondContact O-N 2.76Å; L60-K62 PolarHBondContact O-N 3.19Å; L60-H63 PolarHBondContact O-N 3.3Å; L60-H63 VanDerWaalsContact O-N 3.08Å |
| 61 | E | 92.6 | Very high | 91.3 | Very high | 140 Ų | 140 | 73 Ų | 73 | 65% | 0.654 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -62.1 | -10.2 | 173.6 | 72.2 | -170.6 | -163.8 | 0 | 0 | 114.4 | K59 | K59-E61 HydrophobicContact CB-CG 3.98Å; K59-E61 WeakPolarHBondContact CD-OE1 3.39Å; K59-E61 PolarHBondContact O-N 3.03Å |
| 62 | K | 92.7 | Very high | 91.2 | Very high | 109 Ų | 109 | 72.5 Ų | 72.5 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -101.6 | 14 | 177.8 | -56.2 | -57.4 | -179 | -170.1 | 0 | 112.7 | C57 K59 L60 | C57-K62 HydrophobicContact CB-CB 3.97Å; C57-K62 HydrophobicContact CB-CG 4Å; K59-K62 HydrophobicContact CB-CG 4.23Å; K59-K62 WeakPolarHBondContact O-CB 3.34Å; K59-K62 PolarHBondContact O-N 2.87Å; L60-K62 PolarHBondContact O-N 3.19Å |
| 63 | H | 95 | Very high | 91.2 | Very high | 14 Ų | 14 | 68.8 Ų | 68.8 | 7% | 0.065 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -133.8 | 143.6 | -176.7 | -59.6 | -32.6 | 0 | 0 | 0 | 109.2 | Y51 D52 S55 C57 L60 F65 | Y51-H63 HydrophobicContact CD1-CB 3.89Å; Y51-H63 HydrophobicContact CG-CB 4.34Å; D52-H63 WeakPolarHBondContact O-CA 3.31Å; D52-H63 VanDerWaalsContact O-CB 3.26Å; D52-H63 WeakPolarHBondContact O-CB 3.38Å; S55-H63 PolarHBondContact O-CE1 3.18Å; C57-H63 PolarHBondContact O-CE1 3.38Å; C57-H63 PolarHBondContact O-NE2 3.29Å; L60-H63 PolarHBondContact O-N 3.3Å; L60-H63 VanDerWaalsContact O-N 3.08Å; H63-F65 PolarHBondContact O-N 3.25Å |
| 64 | D | 94.5 | Very high | 91.1 | Very high | 99 Ų | 99 | 69.3 Ų | 69.3 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 120.2 | 179.5 | -74.2 | -15.7 | 0 | 0 | 0 | 110.9 | Y51 D52 D54 L66 | Y51-D64 CarbonylContact C-O 3.52Å; Y51-D64 VanDerWaalsContact CA-O 3.27Å; Y51-D64 WeakPolarHBondContact CA-O 3.23Å; D52-D64 HydrophobicContact CB-CB 4.18Å; D52-D64 PolarHBondContact N-O 2.93Å; D52-D64 PolarHBondContact O-N 3.33Å; D52-D64 VanDerWaalsContact O-N 3.08Å; D54-D64 PolarHBondContact OD2-N 2.87Å; D64-L66 PolarHBondContact O-N 3.31Å |
| 65 | F | 94.3 | Very high | 91.1 | Very high | 106 Ų | 106 | 69 Ų | 69 | 47% | 0.465 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 124.5 | 175.4 | 173.5 | -100.2 | 0 | 0 | 0 | 110.7 | E49 Y51 H63 G67 R68 | E49-F65 HydrophobicContact CB-CE2 4.12Å; E49-F65 HydrophobicContact CG-CE2 4.14Å; Y51-F65 HydrophobicContact CD1-CB 4.31Å; Y51-F65 HydrophobicContact CE1-CB 4.04Å; Y51-F65 HydrophobicContact CE1-CD2 4.13Å; H63-F65 PolarHBondContact O-N 3.25Å; F65-G67 VanDerWaalsContact CE2-C 3.47Å; F65-G67 VanDerWaalsContact CE2-O 3.24Å; F65-G67 WeakPolarHBondContact CE2-O 3.25Å; F65-G67 VanDerWaalsContact CZ-CA 3.5Å; F65-R68 HydrophobicContact CE2-CB 3.98Å; F65-R68 HydrophobicContact CZ-CB 3.78Å; F65-R68 HydrophobicContact CZ-CG 4Å |
| 66 | L | 91.9 | Very high | 91.1 | Very high | 113 Ų | 113 | 66.8 Ų | 66.8 | 59% | 0.592 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -30 | -177.8 | -62.1 | -176.8 | 0 | 0 | 0 | 113.2 | I50 D52 D64 | I50-L66 HydrophobicContact CB-CB 4.29Å; I50-L66 HydrophobicContact CG2-CB 4.12Å; I50-L66 HydrophobicContact CG2-CD1 4Å; I50-L66 PolarHBondContact O-N 3.33Å; D52-L66 HydrophobicContact CB-CD1 4.05Å; D52-L66 HydrophobicContact CB-CD2 4.25Å; D52-L66 HydrophobicContact CB-CG 4.25Å; D64-L66 PolarHBondContact O-N 3.31Å |
| 67 | G | 92.1 | Very high | 91.2 | Very high | 12 Ų | 12 | 65 Ų | 65 | 12% | 0.124 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.9 | 166.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E49 I50 F65 | E49-G67 WeakPolarHBondContact CA-O 3.19Å; I50-G67 PolarHBondContact N-O 2.93Å; F65-G67 VanDerWaalsContact CE2-C 3.47Å; F65-G67 VanDerWaalsContact CE2-O 3.24Å; F65-G67 WeakPolarHBondContact CE2-O 3.25Å; F65-G67 VanDerWaalsContact CZ-CA 3.5Å |
| 68 | R | 92.3 | Very high | 91.1 | Very high | 136 Ų | 136 | 66.9 Ų | 66.9 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 158 | 176.2 | 70.9 | -178.3 | -177.7 | 174 | 5.9 | 113 | F48 E49 F65 E70 I86 | F48-R68 CarbonylContact O-C 3.54Å; F48-R68 WeakPolarHBondContact O-CA 3.26Å; F48-R68 WeakPolarHBondContact O-CB 3.24Å; E49-R68 HydrophobicContact CG-CB 3.93Å; F65-R68 HydrophobicContact CE2-CB 3.98Å; F65-R68 HydrophobicContact CZ-CB 3.78Å; F65-R68 HydrophobicContact CZ-CG 4Å; R68-E70 IonicContact CZ-OE1 3.46Å; R68-E70 IonicContact NE-OE1 3.78Å; R68-E70 IonicContact NH1-OE1 3.56Å; R68-E70 PolarHBondContact NH1-OE1 2.94Å; R68-E70 IonicContact NH2-OE1 3.94Å; R68-I86 VanDerWaalsContact O-CG2 3.29Å; R68-I86 WeakPolarHBondContact O-CG2 3.27Å |
| 69 | V | 91.3 | Very high | 90.7 | Very high | 13 Ų | 13 | 68.3 Ų | 68.3 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 136.9 | 166.2 | 56.4 | 0 | 0 | 0 | 0 | 108.9 | K47 F48 I86 I90 | K47-V69 CarbonylContact C-O 3.59Å; K47-V69 WeakPolarHBondContact CA-O 3.4Å; F48-V69 HydrophobicContact CB-CG1 3.86Å; F48-V69 HydrophobicContact CD2-CG1 4.21Å; F48-V69 HydrophobicContact CG-CG1 4.46Å; F48-V69 PolarHBondContact N-O 3.01Å; F48-V69 PolarHBondContact O-N 3.26Å; V69-I86 HydrophobicContact CG1-CD1 4.04Å; V69-I90 HydrophobicContact CG1-CD1 3.26Å; V69-I90 HydrophobicContact CG1-CG1 4.28Å |
| 70 | E | 91.9 | Very high | 89.5 | Confident | 94 Ų | 94 | 67.1 Ų | 67.1 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135 | 176.4 | -67 | -178.4 | -163.5 | 0 | 0 | 107.7 | L46 K47 R68 | L46-E70 WeakPolarHBondContact O-CA 3.42Å; K47-E70 HydrophobicContact CB-CG 3.94Å; K47-E70 HydrophobicContact CD-CG 4.05Å; K47-E70 HydrophobicContact CG-CG 3.74Å; R68-E70 IonicContact CZ-OE1 3.46Å; R68-E70 IonicContact NE-OE1 3.78Å; R68-E70 IonicContact NH1-OE1 3.56Å; R68-E70 PolarHBondContact NH1-OE1 2.94Å; R68-E70 IonicContact NH2-OE1 3.94Å |
| 71 | C | 91.5 | Very high | 88.3 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 8% | 0.081 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 172.5 | 179.7 | 62.4 | 0 | 0 | 0 | 0 | 109.5 | L46 E75 | L46-C71 PolarHBondContact N-O 2.87Å; L46-C71 PolarHBondContact O-N 3.1Å; C71-E75 WeakPolarHBondContact CA-OE2 3.47Å |
| 72 | T | 91.9 | Very high | 87.1 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 9% | 0.086 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 153.5 | 166.5 | 64.4 | 0 | 0 | 0 | 0 | 110.4 | R43 Q44 A74 E75 L76 | R43-T72 HydrophobicContact CG-CG2 4.38Å; Q44-T72 CarbonylContact O-C 3.21Å; Q44-T72 WeakPolarHBondContact O-CA 3.33Å; T72-A74 PolarHBondContact O-N 3.37Å; T72-E75 PolarHBondContact N-OE2 2.78Å; T72-E75 PolarHBondContact O-N 3.16Å; T72-E75 WeakPolarHBondContact OG1-CB 3.47Å; T72-E75 VanDerWaalsContact OG1-CD 3.24Å; T72-E75 WeakPolarHBondContact OG1-CG 3.3Å; T72-E75 PolarHBondContact OG1-N 2.91Å; T72-E75 VanDerWaalsContact OG1-N 3.1Å; T72-E75 PolarHBondContact OG1-OE2 3.42Å; T72-L76 PolarHBondContact O-N 3.38Å |
| 73 | L | 92.4 | Very high | 85.9 | Confident | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 172.5 | -175.6 | 56.4 | 0 | 0 | 0 | 111 | I36 Y38 Q44 L46 E75 L76 V77 | I36-L73 HydrophobicContact CD1-CD2 4.07Å; I36-L73 HydrophobicContact CG1-CD2 4.05Å; I36-L73 HydrophobicContact CG2-CD1 3.97Å; I36-L73 HydrophobicContact CG2-CD2 3.7Å; Y38-L73 HydrophobicContact CD2-CD2 3.73Å; Y38-L73 HydrophobicContact CD2-CG 3.83Å; Y38-L73 HydrophobicContact CE2-CG 4.45Å; Y38-L73 HydrophobicContact CG-CD2 4.44Å; Q44-L73 HydrophobicContact CB-CB 4.04Å; Q44-L73 PolarHBondContact O-N 3.06Å; L46-L73 HydrophobicContact CD1-CB 4.03Å; L46-L73 HydrophobicContact CD1-CD1 4.11Å; L73-E75 PolarHBondContact O-N 3.34Å; L73-L76 PolarHBondContact O-N 3.08Å; L73-V77 HydrophobicContact CD1-CG2 4.14Å; L73-V77 HydrophobicContact CG-CG2 4.24Å; L73-V77 VanDerWaalsContact O-CG2 3.3Å; L73-V77 WeakPolarHBondContact O-CG2 3.41Å; L73-V77 PolarHBondContact O-N 3.34Å |
| 74 | A | 89.7 | Confident | 84.3 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 40% | 0.397 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | T72 V77 S78 | T72-A74 PolarHBondContact O-N 3.37Å; A74-V77 PolarHBondContact O-N 3.15Å; A74-S78 VanDerWaalsContact O-CB 3.25Å; A74-S78 WeakPolarHBondContact O-CB 3.31Å; A74-S78 PolarHBondContact O-N 2.8Å; A74-S78 PolarHBondContact O-OG 2.81Å; A74-S78 VanDerWaalsContact O-OG 3.08Å |
| 75 | E | 89.8 | Confident | 82.8 | Confident | 88 Ų | 88 | 67.3 Ų | 67.3 | 41% | 0.411 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.7 | -48 | 173.3 | -77.1 | 159.5 | 175.4 | 0 | 0 | 111.1 | C71 T72 L73 V77 S78 E79 | C71-E75 WeakPolarHBondContact CA-OE2 3.47Å; T72-E75 PolarHBondContact N-OE2 2.78Å; T72-E75 PolarHBondContact O-N 3.16Å; T72-E75 WeakPolarHBondContact OG1-CB 3.47Å; T72-E75 VanDerWaalsContact OG1-CD 3.24Å; T72-E75 WeakPolarHBondContact OG1-CG 3.3Å; T72-E75 PolarHBondContact OG1-N 2.91Å; T72-E75 VanDerWaalsContact OG1-N 3.1Å; T72-E75 PolarHBondContact OG1-OE2 3.42Å; L73-E75 PolarHBondContact O-N 3.34Å; E75-V77 VanDerWaalsContact C-N 3.29Å; E75-V77 PolarHBondContact O-N 3.12Å; E75-S78 WeakPolarHBondContact CA-OG 3.45Å; E75-S78 PolarHBondContact O-N 3.11Å; E75-S78 PolarHBondContact O-OG 3.44Å; E75-E79 PolarHBondContact O-N 2.89Å |
| 76 | L | 88.5 | Confident | 81.5 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63 | -32.1 | 179.1 | -71.6 | 175.8 | 0 | 0 | 0 | 114 | L46 F48 T72 L73 V82 I90 A92 | L46-L76 HydrophobicContact CD1-CD1 3.99Å; F48-L76 HydrophobicContact CE2-CD1 4.32Å; T72-L76 PolarHBondContact O-N 3.38Å; L73-L76 PolarHBondContact O-N 3.08Å; L76-V82 HydrophobicContact CD2-CB 4.13Å; L76-V82 HydrophobicContact CD2-CG2 3.6Å; L76-I90 HydrophobicContact CD1-CG2 4.04Å; L76-I90 HydrophobicContact CD2-CB 3.96Å; L76-I90 HydrophobicContact CD2-CG2 3.58Å; L76-A92 HydrophobicContact CB-CB 3.78Å |
| 77 | V | 87.5 | Confident | 80.4 | Confident | 79 Ų | 79 | 62.2 Ų | 62.2 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -80.2 | -33 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | Y38 L73 A74 E75 A92 | Y38-V77 HydrophobicContact CD2-CG2 4.3Å; Y38-V77 HydrophobicContact CE2-CG2 4.35Å; L73-V77 HydrophobicContact CD1-CG2 4.14Å; L73-V77 HydrophobicContact CG-CG2 4.24Å; L73-V77 VanDerWaalsContact O-CG2 3.3Å; L73-V77 WeakPolarHBondContact O-CG2 3.41Å; L73-V77 PolarHBondContact O-N 3.34Å; A74-V77 PolarHBondContact O-N 3.15Å; E75-V77 VanDerWaalsContact C-N 3.29Å; E75-V77 PolarHBondContact O-N 3.12Å; V77-A92 HydrophobicContact CG2-CB 4.32Å |
| 78 | S | 84.9 | Confident | 79.7 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 62% | 0.615 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -80.4 | -33.1 | -179.3 | 69.9 | 0 | 0 | 0 | 0 | 114 | A74 E75 | A74-S78 VanDerWaalsContact O-CB 3.25Å; A74-S78 WeakPolarHBondContact O-CB 3.31Å; A74-S78 PolarHBondContact O-N 2.8Å; A74-S78 PolarHBondContact O-OG 2.81Å; A74-S78 VanDerWaalsContact O-OG 3.08Å; E75-S78 WeakPolarHBondContact CA-OG 3.45Å; E75-S78 PolarHBondContact O-N 3.11Å; E75-S78 PolarHBondContact O-OG 3.44Å |
| 79 | E | 77.1 | Confident | 79.1 | Confident | 99 Ų | 99 | 60 Ų | 60 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -108.6 | 124.1 | 177.8 | -67.3 | -170.7 | 174.9 | 0 | 0 | 109.1 | E75 R81 | E75-E79 PolarHBondContact O-N 2.89Å; E79-R81 PolarHBondContact O-N 2.76Å |
| 80 | P | 65 | Low | 78.8 | Confident | 102 Ų | 102 | 60.8 Ų | 60.8 | 66% | 0.662 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -61.1 | -16.1 | -177 | 21.2 | -30.6 | 0 | 0 | 0 | 113.1 | T91 | P80-T91 WeakPolarHBondContact O-CG2 3.4Š|
| 81 | R | 67.3 | Low | 78.5 | Confident | 115 Ų | 115 | 59.2 Ų | 59.2 | 43% | 0.434 | 36% | 0.361 | S | S | . | . | trans | -160.7 | 110.8 | -178.3 | -163.3 | 169.2 | -176.2 | 151.5 | -3.8 | 112.1 | E79 P89 T91 D132 | E79-R81 PolarHBondContact O-N 2.76Å; R81-P89 HydrophobicContact CG-CB 3.89Å; R81-T91 HydrophobicContact CB-CG2 4.33Å; R81-T91 HydrophobicContact CG-CG2 4.03Å; R81-D132 IonicContact NH1-OD2 3.21Å; R81-D132 PolarHBondContact NH1-OD2 3.16Å | ||
| 82 | V | 68.5 | Low | 78.3 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -72.4 | 129.2 | 169.8 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | L76 I90 | L76-V82 HydrophobicContact CD2-CB 4.13Å; L76-V82 HydrophobicContact CD2-CG2 3.6Å; V82-I90 PolarHBondContact N-O 3.05Å; V82-I90 VanDerWaalsContact N-O 3.1Å |
| 83 | P | 65.8 | Low | 78 | Confident | 95 Ų | 95 | 62.8 Ų | 62.8 | 62% | 0.617 | 38% | 0.382 | S | S | * | . | trans | -54.4 | 140.4 | 179.7 | -26.5 | 33.9 | 0 | 0 | 0 | 112.6 | T85 | P83-T85 PolarHBondContact O-N 2.82Š| ||
| 84 | A | 63 | Low | 77.6 | Confident | 44 Ų | 44 | 70.6 Ų | 70.6 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | trans | -72.5 | 83.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I86 G87 M88 P89 | A84-I86 PolarHBondContact O-N 2.82Å; A84-G87 PolarHBondContact O-N 2.86Å; A84-M88 VanDerWaalsContact CB-C 3.48Å; A84-P89 HydrophobicContact CB-CB 4.44Å | ||
| 85 | T | 62.2 | Low | 77.3 | Confident | 117 Ų | 117 | 71.9 Ų | 71.9 | 72% | 0.718 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.1 | 172.5 | -38.7 | 0 | 0 | 0 | 0 | 111.6 | P83 | P83-T85 PolarHBondContact O-N 2.82Š|
| 86 | I | 66 | Low | 76.9 | Confident | 46 Ų | 46 | 72.3 Ų | 72.3 | 24% | 0.236 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 17.1 | -179.2 | 57.3 | 171.6 | 0 | 0 | 0 | 113.3 | I50 R68 V69 A84 M88 | I50-I86 HydrophobicContact CD1-CD1 4.36Å; I50-I86 HydrophobicContact CG1-CD1 3.68Å; R68-I86 VanDerWaalsContact O-CG2 3.29Å; R68-I86 WeakPolarHBondContact O-CG2 3.27Å; V69-I86 HydrophobicContact CG1-CD1 4.04Å; A84-I86 PolarHBondContact O-N 2.82Å; I86-M88 HydrophobicContact CD1-CB 4.37Å; I86-M88 HydrophobicContact CG1-CB 4.23Å; I86-M88 PolarHBondContact O-N 2.89Å; I86-M88 VanDerWaalsContact O-N 3.13Å |
| 87 | G | 70.6 | Confident | 76.5 | Confident | 66 Ų | 66 | 80.9 Ų | 80.9 | 68% | 0.68 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 73.6 | -5.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | A84 | A84-G87 PolarHBondContact O-N 2.86Š|
| 88 | M | 76.5 | Confident | 76.4 | Confident | 46 Ų | 46 | 79.1 Ų | 79.1 | 23% | 0.227 | 45% | 0.451 | C | S | . | . | trans | -111 | 115.8 | 171.6 | -59.5 | -167.8 | 67.1 | 0 | 0 | 110.7 | P28 F30 I50 A84 I86 | P28-M88 HydrophobicContact CG-CE 4.27Å; P28-M88 HydrophobicContact CG-SD 3.94Å; P28-M88 VanDerWaalsContact O-CE 3.23Å; P28-M88 WeakPolarHBondContact O-CE 3.42Å; F30-M88 HydrophobicContact CD2-CE 3.69Å; F30-M88 HydrophobicContact CE2-CE 3.45Å; F30-M88 VanDerWaalsContact CE2-CE 3.45Å; F30-M88 HydrophobicContact CE2-SD 3.88Å; I50-M88 HydrophobicContact CD1-SD 4.2Å; A84-M88 VanDerWaalsContact CB-C 3.48Å; I86-M88 HydrophobicContact CD1-CB 4.37Å; I86-M88 HydrophobicContact CG1-CB 4.23Å; I86-M88 PolarHBondContact O-N 2.89Å; I86-M88 VanDerWaalsContact O-N 3.13Å | ||
| 89 | P | 80.6 | Confident | 76.4 | Confident | 55 Ų | 55 | 79.6 Ų | 79.6 | 36% | 0.357 | 44% | 0.442 | S | S | . | . | trans | -71.3 | 146.1 | 173.3 | 30.1 | -33.2 | 0 | 0 | 0 | 110.1 | R81 A84 | R81-P89 HydrophobicContact CG-CB 3.89Å; A84-P89 HydrophobicContact CB-CB 4.44Å | ||
| 90 | I | 84.9 | Confident | 77.1 | Confident | 30 Ų | 30 | 78.3 Ų | 78.3 | 15% | 0.154 | 44% | 0.436 | C | S | . | . | B | Isolated β-bridge | trans | -112 | 133.2 | 173.1 | -54.8 | -172.7 | 0 | 0 | 0 | 108.2 | F48 V69 L76 V82 | F48-I90 HydrophobicContact CB-CD1 3.93Å; F48-I90 HydrophobicContact CD1-CD1 4.25Å; F48-I90 HydrophobicContact CD2-CD1 3.31Å; F48-I90 HydrophobicContact CE2-CD1 3.79Å; F48-I90 HydrophobicContact CE2-CG2 4.33Å; F48-I90 HydrophobicContact CG-CD1 3.56Å; F48-I90 HydrophobicContact CZ-CD1 4.43Å; F48-I90 HydrophobicContact CZ-CG2 4.4Å; V69-I90 HydrophobicContact CG1-CD1 3.26Å; V69-I90 HydrophobicContact CG1-CG1 4.28Å; L76-I90 HydrophobicContact CD1-CG2 4.04Å; L76-I90 HydrophobicContact CD2-CB 3.96Å; L76-I90 HydrophobicContact CD2-CG2 3.58Å; V82-I90 PolarHBondContact N-O 3.05Å; V82-I90 VanDerWaalsContact N-O 3.1Å |
| 91 | T | 85 | Confident | 78.3 | Confident | 61 Ų | 61 | 75.8 Ų | 75.8 | 37% | 0.374 | 42% | 0.415 | S | S | . | . | trans | -129.4 | 137.1 | 179.5 | 58.2 | 0 | 0 | 0 | 0 | 108 | P80 R81 | P80-T91 WeakPolarHBondContact O-CG2 3.4Å; R81-T91 HydrophobicContact CB-CG2 4.33Å; R81-T91 HydrophobicContact CG-CG2 4.03Å | ||
| 92 | A | 86.8 | Confident | 79.5 | Confident | 38 Ų | 38 | 70.3 Ų | 70.3 | 31% | 0.314 | 40% | 0.395 | S | S | . | . | trans | -105.8 | 149.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L76 V77 | L76-A92 HydrophobicContact CB-CB 3.78Å; V77-A92 HydrophobicContact CG2-CB 4.32Å | ||
| 93 | E | 84.9 | Confident | 80.6 | Confident | 64 Ų | 64 | 70.6 Ų | 70.6 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | trans | -141.2 | 138 | 175.5 | -174.6 | 176.5 | -176.5 | 0 | 0 | 107.7 | Q95 R128 C164 R169 | E93-Q95 PolarHBondContact O-N 2.84Å; E93-R128 IonicContact OE2-CZ 3.03Å; E93-R128 IonicContact OE2-NE 3.33Å; E93-R128 PolarHBondContact OE2-NE 2.85Å; E93-R128 IonicContact OE2-NH2 3.92Å; E93-R128 PolarHBondContact OE2-NH2 2.88Å; E93-C164 PolarHBondContact OE1-SG 3.2Å; E93-R169 IonicContact OE1-CZ 2.72Å; E93-R169 IonicContact OE1-NH1 3.4Å; E93-R169 PolarHBondContact OE1-NH1 2.67Å; E93-R169 IonicContact OE1-NH2 3.26Å; E93-R169 PolarHBondContact OE1-NH2 3.26Å; E93-R169 IonicContact OE2-NH2 2.67Å; E93-R169 PolarHBondContact OE2-NH2 2.73Å | ||
| 94 | E | 85.4 | Confident | 81.9 | Confident | 173 Ų | 173 | 66.3 Ų | 66.3 | 81% | 0.808 | 37% | 0.369 | S | S | * | . | trans | -64.2 | 125.9 | 173.6 | -174.6 | 178 | -172.3 | 0 | 0 | 109.6 | ||||
| 95 | Q | 82 | Confident | 83.4 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | trans | -95.8 | 108.9 | -179.4 | -176.2 | 174.9 | -4.3 | 0 | 0 | 109.7 | T35 E93 E97 S160 | T35-Q95 PolarHBondContact OG1-OE1 2.91Å; E93-Q95 PolarHBondContact O-N 2.84Å; Q95-E97 PolarHBondContact O-N 2.72Å; Q95-S160 WeakPolarHBondContact CG-OG 3.41Å; Q95-S160 PolarHBondContact NE2-OG 3.4Å | ||
| 96 | I | 81.5 | Confident | 85 | Confident | 97 Ų | 97 | 62 Ų | 62 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | trans | -72.3 | 121.5 | 172.9 | -58.9 | 174.6 | 0 | 0 | 0 | 108.6 | S98 S160 | I96-S98 PolarHBondContact O-N 2.8Å; I96-S160 WeakPolarHBondContact O-CB 3.48Å; I96-S160 PolarHBondContact O-OG 2.7Å | ||
| 97 | E | 80 | Confident | 86.4 | Confident | 187 Ų | 187 | 63.9 Ų | 63.9 | 87% | 0.874 | 34% | 0.34 | S | S | * | . | trans | -62.5 | 133.9 | 174.4 | -69.2 | -171 | 170.5 | 0 | 0 | 111.1 | Q95 | Q95-E97 PolarHBondContact O-N 2.72Š| ||
| 98 | S | 85.5 | Confident | 87.6 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | trans | -145.6 | 143.1 | 172.6 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | I96 E100 T159 S165 | I96-S98 PolarHBondContact O-N 2.8Å; S98-E100 VanDerWaalsContact C-N 3.33Å; S98-E100 PolarHBondContact OG-N 3Å; S98-T159 WeakPolarHBondContact CB-OG1 3.4Å; S98-T159 PolarHBondContact OG-OG1 2.72Å; S98-S165 VanDerWaalsContact CB-OG 3.31Å; S98-S165 WeakPolarHBondContact CB-OG 3.47Å | ||
| 99 | K | 86.2 | Confident | 88.5 | Confident | 98 Ų | 98 | 60.5 Ų | 60.5 | 43% | 0.426 | 31% | 0.306 | S | S | . | . | trans | -89.4 | -2 | 174.8 | -65.4 | -173 | -178.8 | -177.8 | 0 | 112.6 | V235 V236 D241 | K99-V235 HydrophobicContact CB-CG1 3.95Å; K99-V236 PolarHBondContact O-N 2.86Å; K99-D241 WeakPolarHBondContact CE-OD2 3.41Å; K99-D241 IonicContact NZ-OD1 3.25Å; K99-D241 PolarHBondContact NZ-OD1 3.39Å; K99-D241 IonicContact NZ-OD2 4Å; K99-D241 PolarHBondContact NZ-OD2 2.79Å | ||
| 100 | E | 90.4 | Very high | 89.1 | Confident | 71 Ų | 71 | 62.9 Ų | 62.9 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 130 | -179 | -68.3 | -178.7 | 163.6 | 0 | 0 | 110.8 | S98 G158 T159 I233 T234 V235 | S98-E100 VanDerWaalsContact C-N 3.33Å; S98-E100 PolarHBondContact OG-N 3Å; E100-G158 CarbonylContact O-C 3.54Å; E100-G158 WeakPolarHBondContact O-CA 3.49Å; E100-T159 HydrophobicContact CB-CG2 3.64Å; E100-T159 WeakPolarHBondContact O-CG2 3.24Å; E100-T159 PolarHBondContact O-N 2.75Å; E100-T159 PolarHBondContact O-OG1 2.81Å; E100-I233 HydrophobicContact CB-CG2 3.77Å; E100-I233 HydrophobicContact CG-CG2 3.87Å; E100-T234 WeakPolarHBondContact CA-O 3.34Å; E100-V235 HydrophobicContact CG-CG2 4.32Å |
| 101 | E | 90.7 | Very high | 89.4 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 23% | 0.234 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133 | 165.1 | -78 | -170.9 | 168.3 | 0 | 0 | 109.9 | L157 I233 T234 V236 | E101-L157 CarbonylContact C-O 3.53Å; E101-L157 WeakPolarHBondContact CA-O 3.46Å; E101-I233 WeakPolarHBondContact O-CA 3.46Å; E101-T234 PolarHBondContact N-O 2.78Å; E101-T234 PolarHBondContact O-N 3.07Å; E101-V236 HydrophobicContact CB-CG2 3.87Å; E101-V236 HydrophobicContact CG-CG2 3.56Å |
| 102 | V | 92 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 119.5 | 170 | -169.4 | 0 | 0 | 0 | 0 | 108.4 | F104 S156 L157 T159 L162 I199 T231 I233 | V102-F104 HydrophobicContact CB-CD2 4.43Å; V102-F104 HydrophobicContact CB-CE2 3.69Å; V102-F104 HydrophobicContact CB-CZ 4.07Å; V102-F104 HydrophobicContact CG1-CD2 4.09Å; V102-F104 HydrophobicContact CG1-CE1 4.12Å; V102-F104 HydrophobicContact CG1-CE2 3.47Å; V102-F104 VanDerWaalsContact CG1-CE2 3.47Å; V102-F104 HydrophobicContact CG1-CZ 3.48Å; V102-F104 VanDerWaalsContact CG1-CZ 3.48Å; V102-S156 VanDerWaalsContact O-CA 3.26Å; V102-S156 WeakPolarHBondContact O-CA 3.44Å; V102-L157 PolarHBondContact N-O 3.05Å; V102-L157 PolarHBondContact O-N 3.17Å; V102-T159 HydrophobicContact CG2-CG2 3.53Å; V102-L162 HydrophobicContact CB-CD2 3.83Å; V102-L162 HydrophobicContact CG2-CD2 3.66Å; V102-I199 HydrophobicContact CG1-CD1 4.09Å; V102-I199 HydrophobicContact CG1-CG1 3.89Å; V102-I199 HydrophobicContact CG1-CG2 4.16Å; V102-I199 HydrophobicContact CG2-CG2 4.23Å; V102-T231 HydrophobicContact CG1-CG2 4.22Å; V102-I233 HydrophobicContact CG2-CG1 4.31Å |
| 103 | S | 92.6 | Very high | 89.1 | Confident | 28 Ų | 28 | 63.4 Ų | 63.4 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.8 | 171.4 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | F155 S156 T231 S232 | S103-F155 CarbonylContact C-O 3.57Å; S103-F155 WeakPolarHBondContact CA-O 3.43Å; S103-S156 WeakPolarHBondContact CB-OG 3.34Å; S103-S156 PolarHBondContact OG-OG 3.21Å; S103-T231 VanDerWaalsContact O-CA 3.23Å; S103-T231 WeakPolarHBondContact O-CA 3.39Å; S103-S232 WeakPolarHBondContact CB-OG 3.42Å; S103-S232 PolarHBondContact N-O 2.77Å; S103-S232 PolarHBondContact O-N 2.54Å; S103-S232 VanDerWaalsContact O-N 3.09Å |
| 104 | F | 93.6 | Very high | 88.5 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 2% | 0.022 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.1 | -178.3 | -67.6 | -90.1 | 0 | 0 | 0 | 110.8 | V102 I106 I126 P154 F155 L162 I199 T231 | V102-F104 HydrophobicContact CB-CD2 4.43Å; V102-F104 HydrophobicContact CB-CE2 3.69Å; V102-F104 HydrophobicContact CB-CZ 4.07Å; V102-F104 HydrophobicContact CG1-CD2 4.09Å; V102-F104 HydrophobicContact CG1-CE1 4.12Å; V102-F104 HydrophobicContact CG1-CE2 3.47Å; V102-F104 VanDerWaalsContact CG1-CE2 3.47Å; V102-F104 HydrophobicContact CG1-CZ 3.48Å; V102-F104 VanDerWaalsContact CG1-CZ 3.48Å; F104-I106 HydrophobicContact CB-CD1 4.07Å; F104-I106 HydrophobicContact CB-CG1 4.13Å; F104-I106 HydrophobicContact CD1-CD1 4.09Å; F104-I106 HydrophobicContact CG-CD1 4.41Å; F104-I126 HydrophobicContact CD1-CD1 4.47Å; F104-I126 HydrophobicContact CE1-CD1 4.26Å; F104-I126 HydrophobicContact CE2-CD1 4.44Å; F104-I126 HydrophobicContact CZ-CD1 4.24Å; F104-P154 VanDerWaalsContact O-CA 3.31Å; F104-P154 WeakPolarHBondContact O-CA 3.48Å; F104-F155 HydrophobicContact CB-CD1 4.17Å; F104-F155 HydrophobicContact CB-CD2 4.22Å; F104-F155 HydrophobicContact CB-CE1 3.69Å; F104-F155 HydrophobicContact CB-CE2 3.76Å; F104-F155 HydrophobicContact CB-CG 4.41Å; F104-F155 HydrophobicContact CB-CZ 3.46Å; F104-F155 VanDerWaalsContact CB-CZ 3.46Å; F104-F155 HydrophobicContact CD1-CZ 4.45Å; F104-F155 AromaticContact CD2-CD2 3.93Å; F104-F155 HydrophobicContact CD2-CD2 3.93Å; F104-F155 AromaticContact CD2-CE2 3.35Å; F104-F155 HydrophobicContact CD2-CE2 3.35Å; F104-F155 AromaticContact CD2-CZ 3.85Å; F104-F155 HydrophobicContact CD2-CZ 3.85Å; F104-F155 HydrophobicContact CE2-CE2 4.1Å; F104-F155 HydrophobicContact CG-CD2 4.44Å; F104-F155 HydrophobicContact CG-CE1 4.41Å; F104-F155 AromaticContact CG-CE2 3.7Å; F104-F155 HydrophobicContact CG-CE2 3.7Å; F104-F155 AromaticContact CG-CZ 3.68Å; F104-F155 HydrophobicContact CG-CZ 3.68Å; F104-F155 PolarHBondContact N-O 3.34Å; F104-F155 PolarHBondContact O-N 2.84Å; F104-L162 HydrophobicContact CE2-CD1 4.45Å; F104-L162 HydrophobicContact CE2-CD2 3.84Å; F104-L162 HydrophobicContact CZ-CD2 3.95Å; F104-I199 HydrophobicContact CE1-CD1 4.28Å; F104-I199 HydrophobicContact CE1-CG1 4.49Å; F104-I199 HydrophobicContact CZ-CD1 4.08Å; F104-T231 HydrophobicContact CD1-CG2 3.44Å; F104-T231 VanDerWaalsContact CD1-CG2 3.44Å; F104-T231 HydrophobicContact CE1-CG2 3.55Å; F104-T231 HydrophobicContact CG-CG2 4.24Å; F104-T231 HydrophobicContact CZ-CG2 4.43Å |
| 105 | N | 94.7 | Very high | 87.7 | Confident | 69 Ų | 69 | 59.4 Ų | 59.4 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 111.3 | 164 | -172.4 | -41.9 | 0 | 0 | 0 | 107.9 | K230 | N105-K230 HydrophobicContact CB-CB 4.35Å; N105-K230 PolarHBondContact N-O 3.01Å; N105-K230 PolarHBondContact O-N 2.79Å |
| 106 | I | 94.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.9 | -169.4 | -51.4 | 176.2 | 0 | 0 | 0 | 109.3 | F104 L124 W152 F155 L172 I227 I228 I229 | F104-I106 HydrophobicContact CB-CD1 4.07Å; F104-I106 HydrophobicContact CB-CG1 4.13Å; F104-I106 HydrophobicContact CD1-CD1 4.09Å; F104-I106 HydrophobicContact CG-CD1 4.41Å; I106-L124 HydrophobicContact CD1-CD2 3.88Å; I106-L124 HydrophobicContact CG2-CD1 3.82Å; I106-W152 HydrophobicContact CB-CE3 4.23Å; I106-W152 HydrophobicContact CG2-CE3 3.84Å; I106-W152 HydrophobicContact CG2-CZ3 3.96Å; I106-W152 PolarHBondContact O-N 2.92Å; I106-W152 VanDerWaalsContact O-N 3.13Å; I106-F155 HydrophobicContact CD1-CE1 4.04Å; I106-F155 HydrophobicContact CD1-CZ 3.99Å; I106-L172 HydrophobicContact CD1-CD1 3.96Å; I106-I227 HydrophobicContact CG2-CD1 3.83Å; I106-I227 HydrophobicContact CG2-CG1 3.93Å; I106-I228 WeakPolarHBondContact CA-O 3.2Å; I106-I229 HydrophobicContact CG1-CG1 4.34Å; I106-I229 HydrophobicContact CG1-CG2 4.3Å; I106-I229 HydrophobicContact CG2-CG1 4.09Å |
| 107 | R | 95.8 | Very high | 86.7 | Confident | 86 Ų | 86 | 68.5 Ų | 68.5 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 157.2 | 171.7 | 65.3 | -166.3 | -166.5 | 91.4 | 5.6 | 110.5 | E109 P150 V151 I228 | R107-E109 IonicContact CZ-OE1 3.6Å; R107-E109 IonicContact NH1-OE1 3.16Å; R107-E109 PolarHBondContact NH1-OE1 2.99Å; R107-E109 IonicContact NH2-OE1 3.87Å; R107-E109 PolarHBondContact NH2-OE1 2.78Å; R107-P150 CarbonylContact C-O 3.5Å; R107-P150 WeakPolarHBondContact CA-O 3.43Å; R107-P150 WeakPolarHBondContact CB-O 3.28Å; R107-V151 HydrophobicContact CB-CB 4.35Å; R107-V151 HydrophobicContact CB-CG1 4.41Å; R107-V151 HydrophobicContact CB-CG2 4.01Å; R107-I228 HydrophobicContact CG-CB 3.84Å; R107-I228 HydrophobicContact CG-CD1 4.34Å; R107-I228 HydrophobicContact CG-CG2 4.39Å; R107-I228 VanDerWaalsContact CZ-CD1 3.49Å; R107-I228 PolarHBondContact N-O 2.77Å; R107-I228 PolarHBondContact O-N 3.46Å |
| 108 | A | 95 | Very high | 86.5 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 155 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L111 N149 P150 W152 K226 | A108-L111 HydrophobicContact CB-CD1 3.96Å; A108-L111 HydrophobicContact CB-CD2 3.86Å; A108-L111 HydrophobicContact CB-CG 3.95Å; A108-N149 CarbonylContact O-C 3.58Å; A108-N149 VanDerWaalsContact O-C 3.26Å; A108-N149 WeakPolarHBondContact O-CA 3.09Å; A108-P150 HydrophobicContact CB-CG 3.82Å; A108-P150 PolarHBondContact N-O 3.25Å; A108-W152 HydrophobicContact CB-CH2 3.96Å; A108-W152 HydrophobicContact CB-CZ3 4.02Å; A108-K226 CarbonylContact C-O 3.54Å; A108-K226 WeakPolarHBondContact CA-O 3.49Å; A108-K226 WeakPolarHBondContact CB-O 3.29Å |
| 109 | E | 95.3 | Very high | 86.3 | Confident | 39 Ų | 39 | 71 Ų | 71 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.4 | 176.7 | -68.4 | -178.2 | -162 | 0 | 0 | 109.8 | R107 L111 N149 G225 K226 I228 | R107-E109 IonicContact CZ-OE1 3.6Å; R107-E109 IonicContact NH1-OE1 3.16Å; R107-E109 PolarHBondContact NH1-OE1 2.99Å; R107-E109 IonicContact NH2-OE1 3.87Å; R107-E109 PolarHBondContact NH2-OE1 2.78Å; E109-L111 VanDerWaalsContact C-N 3.28Å; E109-L111 PolarHBondContact O-N 3.18Å; E109-N149 VanDerWaalsContact CA-OD1 3.24Å; E109-N149 WeakPolarHBondContact CA-OD1 3.25Å; E109-G225 CarbonylContact O-C 3.6Å; E109-G225 WeakPolarHBondContact O-CA 3.36Å; E109-K226 HydrophobicContact CB-CD 4.39Å; E109-K226 VanDerWaalsContact CB-CE 3.44Å; E109-K226 HydrophobicContact CB-CG 3.88Å; E109-K226 VanDerWaalsContact CD-CE 3.42Å; E109-K226 PolarHBondContact N-O 2.61Å; E109-K226 PolarHBondContact O-N 2.88Å; E109-K226 WeakPolarHBondContact OE2-CE 3.21Å; E109-K226 IonicContact OE2-NZ 3.09Å; E109-K226 PolarHBondContact OE2-NZ 2.93Å; E109-I228 HydrophobicContact CG-CD1 4.08Å; E109-I228 VanDerWaalsContact OE1-CD1 3.31Å; E109-I228 WeakPolarHBondContact OE1-CD1 3.31Å |
| 110 | D | 93.3 | Very high | 86.2 | Confident | 106 Ų | 106 | 66.6 Ų | 66.6 | 57% | 0.567 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 54.7 | 37.7 | 171.6 | -56.2 | -46.1 | 0 | 0 | 0 | 114.4 | L148 N149 G225 | D110-L148 PolarHBondContact N-O 3.25Å; D110-N149 PolarHBondContact N-OD1 2.79Å; D110-G225 WeakPolarHBondContact O-CA 3.3Å; D110-G225 PolarHBondContact O-N 3.2Å |
| 111 | L | 91.2 | Very high | 86.1 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | trans | -61.4 | 140.5 | 177.1 | -63.2 | -178.8 | 0 | 0 | 0 | 111.3 | A108 E109 N113 P122 L148 P150 L174 L209 | A108-L111 HydrophobicContact CB-CD1 3.96Å; A108-L111 HydrophobicContact CB-CD2 3.86Å; A108-L111 HydrophobicContact CB-CG 3.95Å; E109-L111 VanDerWaalsContact C-N 3.28Å; E109-L111 PolarHBondContact O-N 3.18Å; L111-N113 PolarHBondContact O-N 3.02Å; L111-P122 HydrophobicContact CD1-CB 3.74Å; L111-P122 HydrophobicContact CD1-CG 3.72Å; L111-L148 HydrophobicContact CB-CB 4.25Å; L111-L148 HydrophobicContact CB-CD2 4.4Å; L111-L148 WeakPolarHBondContact CB-O 3.35Å; L111-L148 VanDerWaalsContact CG-O 3.32Å; L111-L148 WeakPolarHBondContact CG-O 3.26Å; L111-L148 PolarHBondContact N-O 3.49Å; L111-L148 WeakPolarHBondContact O-CD2 3.3Å; L111-P150 HydrophobicContact CD1-CG 3.89Å; L111-L174 HydrophobicContact CD1-CD2 4.37Å; L111-L174 HydrophobicContact CD2-CD2 3.79Å; L111-L209 HydrophobicContact CD2-CD1 3.25Å | ||
| 112 | D | 86.3 | Confident | 86.1 | Confident | 42 Ų | 42 | 61.6 Ų | 61.6 | 23% | 0.225 | 29% | 0.288 | C | S | . | . | trans | -54.8 | 130.7 | 172.4 | -88.4 | -49.1 | 0 | 0 | 0 | 112.5 | K114 K214 S224 | D112-K114 HydrophobicContact CB-CG 4.46Å; D112-K114 PolarHBondContact O-N 3.1Å; D112-K214 IonicContact OD1-NZ 2.99Å; D112-K214 PolarHBondContact OD1-NZ 2.85Å; D112-K214 IonicContact OD2-NZ 2.6Å; D112-K214 PolarHBondContact OD2-NZ 3.19Å; D112-S224 PolarHBondContact N-O 3.26Å; D112-S224 WeakPolarHBondContact OD2-CB 3.24Å; D112-S224 PolarHBondContact OD2-OG 3.41Å | ||
| 113 | N | 80.4 | Confident | 86 | Confident | 81 Ų | 81 | 62.5 Ų | 62.5 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | trans | -78.7 | 108.8 | 165.5 | -169.6 | 10.2 | 0 | 0 | 0 | 110.3 | L111 R115 R118 K119 S120 L148 | L111-N113 PolarHBondContact O-N 3.02Å; N113-R115 PolarHBondContact ND2-O 2.9Å; N113-R115 PolarHBondContact OD1-N 3.43Å; N113-R115 PolarHBondContact OD1-O 3.37Å; N113-R118 PolarHBondContact OD1-O 3.1Å; N113-K119 WeakPolarHBondContact OD1-CA 3.4Å; N113-S120 PolarHBondContact OD1-N 2.88Å; N113-L148 HydrophobicContact CB-CD1 4Å; N113-L148 HydrophobicContact CB-CD2 4.3Å | ||
| 114 | K | 72.1 | Confident | 86 | Confident | 86 Ų | 86 | 61.2 Ų | 61.2 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | trans | -91.2 | 0.3 | -178.2 | -64.5 | -178.7 | -176.3 | 163.3 | 0 | 114.2 | D112 S120 T187 | D112-K114 HydrophobicContact CB-CG 4.46Å; D112-K114 PolarHBondContact O-N 3.1Å; K114-S120 PolarHBondContact N-OG 3.1Å; K114-T187 PolarHBondContact NZ-OG1 3.34Å | ||
| 115 | R | 67.4 | Low | 85.9 | Confident | 68 Ų | 68 | 61 Ų | 61 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | trans | -122.3 | 136.9 | -170.2 | -71.4 | 178.8 | -165.5 | -141.7 | 11.2 | 110.9 | N113 R118 D176 T177 | N113-R115 PolarHBondContact ND2-O 2.9Å; N113-R115 PolarHBondContact OD1-N 3.43Å; N113-R115 PolarHBondContact OD1-O 3.37Å; R115-R118 WeakPolarHBondContact CB-O 3.19Å; R115-D176 IonicContact CZ-OD1 3.63Å; R115-D176 IonicContact CZ-OD2 3.74Å; R115-D176 IonicContact NE-OD1 3.61Å; R115-D176 IonicContact NE-OD2 3.03Å; R115-D176 PolarHBondContact NE-OD2 2.92Å; R115-D176 IonicContact NH2-OD1 2.81Å; R115-D176 PolarHBondContact NH2-OD1 3Å; R115-D176 IonicContact NH2-OD2 3.51Å; R115-T177 PolarHBondContact NH2-O 2.91Å | ||
| 116 | F | 69.7 | Low | 85.8 | Confident | 205 Ų | 205 | 57.8 Ų | 57.8 | 90% | 0.899 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -70.3 | -30 | -172.9 | -174.6 | -110.8 | 0 | 0 | 0 | 114.2 | ||
| 117 | L | 73.4 | Confident | 85.6 | Confident | 157 Ų | 157 | 59 Ų | 59 | 82% | 0.822 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -122.3 | -11.9 | -174.8 | -69.8 | 172.4 | 0 | 0 | 0 | 115.3 | ||
| 118 | R | 76 | Confident | 85.4 | Confident | 168 Ų | 168 | 56 Ų | 56 | 63% | 0.634 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -138.6 | 151.4 | -178 | -69.3 | -173.8 | 178.3 | 174.4 | -0.5 | 108.5 | N113 R115 | N113-R118 PolarHBondContact OD1-O 3.1Å; R115-R118 WeakPolarHBondContact CB-O 3.19Å |
| 119 | K | 82 | Confident | 85.1 | Confident | 114 Ų | 114 | 56.5 Ų | 56.5 | 50% | 0.496 | 26% | 0.261 | S | S | . | . | trans | -65.6 | 149 | 168.8 | -69.3 | 175.6 | 178.8 | 179.6 | 0 | 109.9 | N113 H146 L148 | N113-K119 WeakPolarHBondContact OD1-CA 3.4Å; K119-H146 HydrophobicContact CB-CB 4.06Å; K119-H146 WeakPolarHBondContact CB-O 3.39Å; K119-H146 WeakPolarHBondContact CD-O 3.25Å; K119-H146 PolarHBondContact O-ND1 2.78Å; K119-L148 HydrophobicContact CB-CD2 4.38Å; K119-L148 HydrophobicContact CB-CG 4.49Å; K119-L148 HydrophobicContact CD-CG 4.35Å; K119-L148 HydrophobicContact CG-CD1 4.48Å; K119-L148 HydrophobicContact CG-CG 4.39Å | ||
| 120 | S | 84.1 | Confident | 84.6 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | trans | -55.4 | 154.3 | 169 | -75.9 | 0 | 0 | 0 | 0 | 111.9 | N113 K114 P122 H146 C147 D176 | N113-S120 PolarHBondContact OD1-N 2.88Å; K114-S120 PolarHBondContact N-OG 3.1Å; S120-P122 WeakPolarHBondContact O-CD 3.24Å; S120-H146 CarbonylContact O-C 3.54Å; S120-H146 VanDerWaalsContact O-CA 3.24Å; S120-H146 WeakPolarHBondContact O-CA 3.44Å; S120-H146 PolarHBondContact O-N 2.78Å; S120-C147 PolarHBondContact O-N 3.25Å; S120-C147 VanDerWaalsContact O-N 3.1Å; S120-D176 VanDerWaalsContact CB-OD2 3.24Å; S120-D176 WeakPolarHBondContact CB-OD2 3.31Å; S120-D176 PolarHBondContact OG-OD2 3.09Å | ||
| 121 | S | 87.9 | Confident | 84.1 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | trans | -119 | 81.6 | 178.9 | -65.4 | 0 | 0 | 0 | 0 | 108.9 | A144 H146 D176 T177 | S121-A144 CarbonylContact C-O 3.51Å; S121-A144 VanDerWaalsContact CA-O 3.24Å; S121-A144 WeakPolarHBondContact CA-O 3.04Å; S121-H146 PolarHBondContact OG-N 3.11Å; S121-H146 VanDerWaalsContact OG-N 3.1Å; S121-D176 PolarHBondContact N-OD1 2.93Å; S121-T177 PolarHBondContact O-N 3.48Å; S121-T177 PolarHBondContact O-OG1 2.74Å; S121-T177 VanDerWaalsContact O-OG1 3.08Å | ||
| 122 | P | 90.4 | Very high | 83.6 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.032 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 147.1 | -173.9 | 27.8 | -37.4 | 0 | 0 | 0 | 112.9 | L111 S120 A144 C147 P150 W152 L174 G175 | L111-P122 HydrophobicContact CD1-CB 3.74Å; L111-P122 HydrophobicContact CD1-CG 3.72Å; S120-P122 WeakPolarHBondContact O-CD 3.24Å; P122-A144 VanDerWaalsContact CD-O 3.25Å; P122-A144 WeakPolarHBondContact CD-O 3.47Å; P122-A144 HydrophobicContact CG-CB 4.18Å; P122-A144 PolarHBondContact O-N 3.35Å; P122-C147 WeakPolarHBondContact CD-O 3.35Å; P122-C147 WeakPolarHBondContact CG-O 3.47Å; P122-P150 HydrophobicContact CB-CG 4.43Å; P122-P150 HydrophobicContact CG-CB 4.07Å; P122-P150 HydrophobicContact CG-CG 3.72Å; P122-W152 HydrophobicContact CB-CZ2 4.19Å; P122-L174 HydrophobicContact CB-CD1 4.15Å; P122-G175 WeakPolarHBondContact CA-O 3.34Å |
| 123 | Q | 91.1 | Very high | 83.5 | Confident | 20 Ų | 20 | 64 Ų | 64 | 9% | 0.093 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 144.9 | 171 | -172.9 | 180 | 29.8 | 0 | 0 | 109.1 | T141 V143 G175 T177 I184 | Q123-T141 WeakPolarHBondContact CG-O 3.32Å; Q123-T141 PolarHBondContact NE2-O 3.36Å; Q123-V143 HydrophobicContact CB-CG2 4.22Å; Q123-V143 HydrophobicContact CG-CG2 4.23Å; Q123-G175 PolarHBondContact N-O 3.2Å; Q123-G175 PolarHBondContact O-N 2.77Å; Q123-G175 VanDerWaalsContact O-N 3.12Å; Q123-T177 WeakPolarHBondContact CB-OG1 3.32Å; Q123-I184 HydrophobicContact CB-CD1 4.27Å; Q123-I184 HydrophobicContact CB-CG1 4.19Å; Q123-I184 HydrophobicContact CG-CD1 3.83Å; Q123-I184 HydrophobicContact CG-CG1 4.14Å |
| 124 | L | 91.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 140.6 | -178.7 | -175.7 | 133.7 | 0 | 0 | 0 | 109.9 | I106 I126 R140 T141 W152 L172 A173 L174 I227 | I106-L124 HydrophobicContact CD1-CD2 3.88Å; I106-L124 HydrophobicContact CG2-CD1 3.82Å; L124-I126 HydrophobicContact CD2-CG1 4.2Å; L124-R140 WeakPolarHBondContact O-CA 3.1Å; L124-T141 HydrophobicContact CB-CG2 3.87Å; L124-T141 HydrophobicContact CD2-CG2 3.82Å; L124-T141 HydrophobicContact CG-CG2 4.47Å; L124-T141 PolarHBondContact N-OG1 3.01Å; L124-T141 PolarHBondContact O-N 3.45Å; L124-T141 PolarHBondContact O-OG1 3.23Å; L124-W152 HydrophobicContact CB-CD2 4.46Å; L124-W152 HydrophobicContact CB-CH2 4.41Å; L124-W152 HydrophobicContact CB-CZ2 4.15Å; L124-W152 HydrophobicContact CD1-CE3 4.44Å; L124-W152 HydrophobicContact CD1-CH2 4.3Å; L124-W152 HydrophobicContact CD1-CZ3 4.1Å; L124-L172 HydrophobicContact CD1-CD1 3.96Å; L124-L172 HydrophobicContact CD1-CD2 3.31Å; L124-L172 HydrophobicContact CD1-CG 3.87Å; L124-L172 HydrophobicContact CD2-CD1 3.92Å; L124-L172 HydrophobicContact CD2-CD2 4.37Å; L124-L172 HydrophobicContact CD2-CG 4.02Å; L124-L172 HydrophobicContact CG-CD1 4.25Å; L124-L172 HydrophobicContact CG-CD2 3.78Å; L124-L172 HydrophobicContact CG-CG 3.95Å; L124-A173 WeakPolarHBondContact CA-O 3.19Å; L124-L174 HydrophobicContact CB-CD1 4.43Å; L124-I227 HydrophobicContact CD1-CD1 3.37Å |
| 125 | A | 91.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | Y127 I137 Y139 R140 A173 I184 | A125-Y127 HydrophobicContact CB-CD2 4.27Å; A125-Y127 HydrophobicContact CB-CE2 3.53Å; A125-I137 HydrophobicContact CB-CD1 3.78Å; A125-I137 HydrophobicContact CB-CG1 4.29Å; A125-Y139 VanDerWaalsContact CA-O 3.28Å; A125-Y139 WeakPolarHBondContact CA-O 3.46Å; A125-R140 HydrophobicContact CB-CG 4.32Å; A125-A173 PolarHBondContact N-O 2.89Å; A125-A173 PolarHBondContact O-N 3.35Å; A125-I184 HydrophobicContact CB-CD1 3.53Å |
| 126 | I | 91.9 | Very high | 85.4 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.5 | 170.1 | -56.7 | -179.5 | 0 | 0 | 0 | 107.2 | F104 L124 I137 V138 Y139 F155 L162 L170 L172 | F104-I126 HydrophobicContact CD1-CD1 4.47Å; F104-I126 HydrophobicContact CE1-CD1 4.26Å; F104-I126 HydrophobicContact CE2-CD1 4.44Å; F104-I126 HydrophobicContact CZ-CD1 4.24Å; L124-I126 HydrophobicContact CD2-CG1 4.2Å; I126-I137 VanDerWaalsContact O-CG1 3.3Å; I126-I137 WeakPolarHBondContact O-CG1 3.49Å; I126-V138 HydrophobicContact CB-CG2 3.97Å; I126-V138 HydrophobicContact CG2-CG2 3.65Å; I126-V138 VanDerWaalsContact O-CG2 3.28Å; I126-V138 WeakPolarHBondContact O-CG2 3.48Å; I126-V138 PolarHBondContact O-N 2.82Å; I126-Y139 PolarHBondContact N-O 2.55Å; I126-Y139 PolarHBondContact O-N 2.8Å; I126-F155 HydrophobicContact CD1-CE2 3.9Å; I126-F155 HydrophobicContact CD1-CZ 3.69Å; I126-L162 HydrophobicContact CG2-CD1 4.22Å; I126-L170 HydrophobicContact CG2-CD2 3.82Å; I126-L172 HydrophobicContact CG1-CD1 4.29Å; I126-L172 HydrophobicContact CG1-CG 4.45Å |
| 127 | Y | 91.1 | Very high | 86.4 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 147.9 | 175.8 | -64 | -94.2 | 0 | 0 | 0 | 109.7 | A125 W135 T136 I137 L170 V171 A173 | A125-Y127 HydrophobicContact CB-CD2 4.27Å; A125-Y127 HydrophobicContact CB-CE2 3.53Å; Y127-W135 HydrophobicContact CD1-CB 4Å; Y127-W135 HydrophobicContact CD1-CE3 4.47Å; Y127-W135 HydrophobicContact CD2-CE3 4.42Å; Y127-W135 HydrophobicContact CG-CB 4.39Å; Y127-W135 HydrophobicContact CG-CE3 4.15Å; Y127-T136 CarbonylContact C-O 3.6Å; Y127-T136 VanDerWaalsContact CA-O 3.25Å; Y127-T136 WeakPolarHBondContact CA-O 3.37Å; Y127-I137 HydrophobicContact CD1-CB 3.87Å; Y127-I137 HydrophobicContact CD1-CG1 4.09Å; Y127-I137 HydrophobicContact CE1-CB 3.71Å; Y127-I137 HydrophobicContact CE1-CD1 4.2Å; Y127-I137 HydrophobicContact CE1-CG1 3.86Å; Y127-L170 CarbonylContact O-C 3.6Å; Y127-L170 WeakPolarHBondContact O-CA 3.45Å; Y127-V171 PolarHBondContact N-O 3.08Å; Y127-V171 PolarHBondContact O-N 2.97Å; Y127-A173 HydrophobicContact CD2-CB 3.99Å; Y127-A173 HydrophobicContact CE2-CB 3.64Å |
| 128 | R | 90.4 | Very high | 87.2 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.7 | 165.2 | -178.2 | 172.9 | 76.1 | -147.7 | 14.4 | 108.5 | E93 W135 T136 V138 Q161 C164 R169 | E93-R128 IonicContact OE2-CZ 3.03Å; E93-R128 IonicContact OE2-NE 3.33Å; E93-R128 PolarHBondContact OE2-NE 2.85Å; E93-R128 IonicContact OE2-NH2 3.92Å; E93-R128 PolarHBondContact OE2-NH2 2.88Å; R128-W135 WeakPolarHBondContact O-CA 3.35Å; R128-T136 PolarHBondContact N-O 2.76Å; R128-T136 PolarHBondContact O-N 3.03Å; R128-V138 HydrophobicContact CB-CG1 3.86Å; R128-Q161 PolarHBondContact NH1-O 2.64Å; R128-C164 VanDerWaalsContact CZ-SG 3.54Å; R128-R169 CarbonylContact C-O 3.57Å; R128-R169 WeakPolarHBondContact CA-O 3.19Å; R128-R169 HydrophobicContact CG-CB 4.07Å |
| 129 | V | 89.7 | Confident | 88 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 124.5 | 169.9 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | R169 V171 | V129-R169 PolarHBondContact N-O 2.83Å; V129-R169 VanDerWaalsContact O-CZ 3.32Å; V129-R169 PolarHBondContact O-NE 3.32Å; V129-R169 PolarHBondContact O-NH2 3.37Å; V129-V171 HydrophobicContact CG2-CG2 3.65Å |
| 130 | N | 85.5 | Confident | 88.5 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 10% | 0.096 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -83.2 | 167.9 | 176.4 | -55.7 | -35.6 | 0 | 0 | 0 | 110.8 | D132 T133 S134 T136 | N130-D132 WeakPolarHBondContact CB-OD1 3.36Å; N130-D132 PolarHBondContact O-N 3.32Å; N130-T133 WeakPolarHBondContact O-CA 3.2Å; N130-T133 PolarHBondContact O-N 2.93Å; N130-S134 WeakPolarHBondContact CB-O 3.44Å; N130-S134 PolarHBondContact N-O 3.08Å; N130-S134 PolarHBondContact ND2-O 2.85Å; N130-S134 PolarHBondContact ND2-OG 2.99Å; N130-T136 VanDerWaalsContact CG-OG1 3.32Å; N130-T136 PolarHBondContact ND2-OG1 2.73Å; N130-T136 PolarHBondContact OD1-OG1 2.95Å |
| 131 | E | 81.4 | Confident | 88.9 | Confident | 176 Ų | 176 | 35.5 Ų | 35.5 | 82% | 0.822 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -34.3 | 178.1 | -60.5 | -173 | 160.3 | 0 | 0 | 112.6 | T133 | E131-T133 PolarHBondContact O-N 3.05Å; E131-T133 VanDerWaalsContact O-N 3.15Å |
| 132 | D | 81.8 | Confident | 89.1 | Confident | 59 Ų | 59 | 38.6 Ų | 38.6 | 32% | 0.316 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 8.5 | 174.2 | 80.6 | -22.3 | 0 | 0 | 0 | 113.3 | R81 N130 S134 | R81-D132 IonicContact NH1-OD2 3.21Å; R81-D132 PolarHBondContact NH1-OD2 3.16Å; N130-D132 WeakPolarHBondContact CB-OD1 3.36Å; N130-D132 PolarHBondContact O-N 3.32Å; D132-S134 VanDerWaalsContact CG-OG 3.26Å; D132-S134 PolarHBondContact O-N 2.83Å; D132-S134 WeakPolarHBondContact OD1-CB 3.21Å; D132-S134 PolarHBondContact OD1-N 2.81Å; D132-S134 PolarHBondContact OD1-OG 3.04Å; D132-S134 PolarHBondContact OD2-OG 2.65Å |
| 133 | T | 84 | Confident | 89.1 | Confident | 108 Ų | 108 | 40.1 Ų | 40.1 | 66% | 0.663 | 20% | 0.195 | S | C | * | . | S | Bend | trans | 67.3 | -1.9 | -175.2 | 74.5 | 0 | 0 | 0 | 0 | 115.9 | N130 E131 | N130-T133 WeakPolarHBondContact O-CA 3.2Å; N130-T133 PolarHBondContact O-N 2.93Å; E131-T133 PolarHBondContact O-N 3.05Å; E131-T133 VanDerWaalsContact O-N 3.15Å |
| 134 | S | 84.9 | Confident | 89.1 | Confident | 29 Ų | 29 | 40 Ų | 40 | 20% | 0.203 | 20% | 0.197 | C | C | . | . | trans | -68.8 | 162.1 | 171.9 | 74.7 | 0 | 0 | 0 | 0 | 111.1 | N130 D132 | N130-S134 WeakPolarHBondContact CB-O 3.44Å; N130-S134 PolarHBondContact N-O 3.08Å; N130-S134 PolarHBondContact ND2-O 2.85Å; N130-S134 PolarHBondContact ND2-OG 2.99Å; D132-S134 VanDerWaalsContact CG-OG 3.26Å; D132-S134 PolarHBondContact O-N 2.83Å; D132-S134 WeakPolarHBondContact OD1-CB 3.21Å; D132-S134 PolarHBondContact OD1-N 2.81Å; D132-S134 PolarHBondContact OD1-OG 3.04Å; D132-S134 PolarHBondContact OD2-OG 2.65Å | ||
| 135 | W | 86.7 | Confident | 89 | Confident | 121 Ų | 121 | 47.6 Ų | 47.6 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.6 | -177.1 | -65.7 | 5.8 | 0 | 0 | 0 | 109.8 | Y127 R128 V171 T189 | Y127-W135 HydrophobicContact CD1-CB 4Å; Y127-W135 HydrophobicContact CD1-CE3 4.47Å; Y127-W135 HydrophobicContact CD2-CE3 4.42Å; Y127-W135 HydrophobicContact CG-CB 4.39Å; Y127-W135 HydrophobicContact CG-CE3 4.15Å; R128-W135 WeakPolarHBondContact O-CA 3.35Å; W135-V171 HydrophobicContact CE3-CG1 4.41Å; W135-V171 HydrophobicContact CH2-CG1 3.76Å; W135-V171 HydrophobicContact CZ2-CG1 4.23Å; W135-V171 HydrophobicContact CZ2-CG2 4.35Å; W135-V171 HydrophobicContact CZ3-CG1 3.85Å; W135-T189 HydrophobicContact CH2-CG2 3.89Å; W135-T189 HydrophobicContact CZ3-CG2 4.04Å |
| 136 | T | 88.2 | Confident | 88.8 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.1 | 172.5 | -64 | 0 | 0 | 0 | 0 | 108.5 | K33 Y127 R128 N130 | K33-T136 HydrophobicContact CD-CG2 4.28Å; Y127-T136 CarbonylContact C-O 3.6Å; Y127-T136 VanDerWaalsContact CA-O 3.25Å; Y127-T136 WeakPolarHBondContact CA-O 3.37Å; R128-T136 PolarHBondContact N-O 2.76Å; R128-T136 PolarHBondContact O-N 3.03Å; N130-T136 VanDerWaalsContact CG-OG1 3.32Å; N130-T136 PolarHBondContact ND2-OG1 2.73Å; N130-T136 PolarHBondContact OD1-OG1 2.95Å |
| 137 | I | 89.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 138.1 | 172.2 | -155.9 | 176.8 | 0 | 0 | 0 | 111.1 | D29 V31 K33 A125 I126 Y127 R140 | D29-I137 VanDerWaalsContact CG-CG2 3.41Å; D29-I137 VanDerWaalsContact OD1-CG2 3.25Å; D29-I137 WeakPolarHBondContact OD1-CG2 3.13Å; D29-I137 VanDerWaalsContact OD2-CB 3.26Å; D29-I137 WeakPolarHBondContact OD2-CB 3.13Å; D29-I137 WeakPolarHBondContact OD2-CG2 3.35Å; V31-I137 HydrophobicContact CG2-CD1 4.23Å; V31-I137 HydrophobicContact CG2-CG1 4.4Å; V31-I137 HydrophobicContact CG2-CG2 3.84Å; K33-I137 WeakPolarHBondContact CE-O 3.46Å; K33-I137 PolarHBondContact NZ-O 2.91Å; A125-I137 HydrophobicContact CB-CD1 3.78Å; A125-I137 HydrophobicContact CB-CG1 4.29Å; I126-I137 VanDerWaalsContact O-CG1 3.3Å; I126-I137 WeakPolarHBondContact O-CG1 3.49Å; Y127-I137 HydrophobicContact CD1-CB 3.87Å; Y127-I137 HydrophobicContact CD1-CG1 4.09Å; Y127-I137 HydrophobicContact CE1-CB 3.71Å; Y127-I137 HydrophobicContact CE1-CD1 4.2Å; Y127-I137 HydrophobicContact CE1-CG1 3.86Å; I137-R140 HydrophobicContact CD1-CG 3.3Å; I137-R140 VanDerWaalsContact CD1-NH2 3.26Å; I137-R140 HydrophobicContact CG1-CG 4.42Å |
| 138 | V | 91.2 | Very high | 88.8 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | -17.9 | 179.5 | -64.6 | 0 | 0 | 0 | 0 | 112.6 | V31 I126 R128 L162 | V31-V138 WeakPolarHBondContact CG1-O 3.44Å; I126-V138 HydrophobicContact CB-CG2 3.97Å; I126-V138 HydrophobicContact CG2-CG2 3.65Å; I126-V138 VanDerWaalsContact O-CG2 3.28Å; I126-V138 WeakPolarHBondContact O-CG2 3.48Å; I126-V138 PolarHBondContact O-N 2.82Å; R128-V138 HydrophobicContact CB-CG1 3.86Å; V138-L162 HydrophobicContact CG2-CD1 3.9Å |
| 139 | Y | 92.8 | Very high | 89 | Confident | 46 Ų | 46 | 56.4 Ų | 56.4 | 18% | 0.18 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 151 | 174.7 | -170.1 | -101.3 | 0 | 0 | 0 | 112.8 | A125 I126 T141 F155 L157 | A125-Y139 VanDerWaalsContact CA-O 3.28Å; A125-Y139 WeakPolarHBondContact CA-O 3.46Å; I126-Y139 PolarHBondContact N-O 2.55Å; I126-Y139 PolarHBondContact O-N 2.8Å; Y139-T141 HydrophobicContact CD1-CG2 4.4Å; Y139-T141 HydrophobicContact CE1-CG2 3.77Å; Y139-F155 HydrophobicContact CD1-CD1 4.32Å; Y139-F155 AromaticContact CD1-CD2 3.99Å; Y139-F155 HydrophobicContact CD1-CD2 3.99Å; Y139-F155 AromaticContact CD1-CE1 3.92Å; Y139-F155 HydrophobicContact CD1-CE1 3.92Å; Y139-F155 AromaticContact CD1-CE2 3.54Å; Y139-F155 HydrophobicContact CD1-CE2 3.54Å; Y139-F155 HydrophobicContact CD1-CG 4.36Å; Y139-F155 AromaticContact CD1-CZ 3.51Å; Y139-F155 HydrophobicContact CD1-CZ 3.51Å; Y139-F155 HydrophobicContact CD2-CD2 4.01Å; Y139-F155 HydrophobicContact CD2-CE2 4.2Å; Y139-F155 AromaticContact CE1-CD1 3.46Å; Y139-F155 HydrophobicContact CE1-CD1 3.46Å; Y139-F155 VanDerWaalsContact CE1-CD1 3.46Å; Y139-F155 AromaticContact CE1-CD2 3.73Å; Y139-F155 HydrophobicContact CE1-CD2 3.73Å; Y139-F155 AromaticContact CE1-CE1 3.39Å; Y139-F155 HydrophobicContact CE1-CE1 3.39Å; Y139-F155 AromaticContact CE1-CE2 3.65Å; Y139-F155 HydrophobicContact CE1-CE2 3.65Å; Y139-F155 AromaticContact CE1-CG 3.64Å; Y139-F155 HydrophobicContact CE1-CG 3.64Å; Y139-F155 AromaticContact CE1-CZ 3.48Å; Y139-F155 HydrophobicContact CE1-CZ 3.48Å; Y139-F155 VanDerWaalsContact CE1-CZ 3.48Å; Y139-F155 HydrophobicContact CE2-CB 4.1Å; Y139-F155 HydrophobicContact CE2-CD1 4.49Å; Y139-F155 AromaticContact CE2-CD2 3.74Å; Y139-F155 HydrophobicContact CE2-CD2 3.74Å; Y139-F155 HydrophobicContact CE2-CE2 4.28Å; Y139-F155 AromaticContact CE2-CG 3.86Å; Y139-F155 HydrophobicContact CE2-CG 3.86Å; Y139-F155 HydrophobicContact CG-CD2 4.12Å; Y139-F155 AromaticContact CG-CE2 3.83Å; Y139-F155 HydrophobicContact CG-CE2 3.83Å; Y139-F155 HydrophobicContact CG-CZ 4.27Å; Y139-F155 AromaticContact CZ-CD1 3.56Å; Y139-F155 AromaticContact CZ-CD2 3.6Å; Y139-F155 AromaticContact CZ-CE1 4Å; Y139-F155 AromaticContact CZ-CG 3.35Å; Y139-F155 WeakPolarHBondContact OH-CB 3.26Å; Y139-F155 WeakPolarHBondContact OH-CD1 3.37Å; Y139-F155 WeakPolarHBondContact OH-CG 3.44Å; Y139-L157 HydrophobicContact CD2-CD1 3.76Å; Y139-L157 HydrophobicContact CD2-CD2 4.3Å; Y139-L157 HydrophobicContact CD2-CG 4.43Å; Y139-L157 HydrophobicContact CG-CD1 3.95Å |
| 140 | R | 92 | Very high | 89.3 | Confident | 56 Ų | 56 | 56 Ų | 56 | 21% | 0.211 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 133.8 | 168.2 | -68.6 | -175.5 | -174.8 | 106.6 | 8.2 | 110.4 | E20 D29 V31 L124 A125 I137 | E20-R140 IonicContact OE1-NH1 3.34Å; D29-R140 PolarHBondContact O-NH1 2.83Å; D29-R140 PolarHBondContact O-NH2 2.84Å; D29-R140 IonicContact OD2-NH2 2.72Å; D29-R140 PolarHBondContact OD2-NH2 3.46Å; V31-R140 HydrophobicContact CG2-CG 4.01Å; L124-R140 WeakPolarHBondContact O-CA 3.1Å; A125-R140 HydrophobicContact CB-CG 4.32Å; I137-R140 HydrophobicContact CD1-CG 3.3Å; I137-R140 VanDerWaalsContact CD1-NH2 3.26Å; I137-R140 HydrophobicContact CG1-CG 4.42Å |
| 141 | T | 93.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | trans | -77.3 | 169.1 | 168.9 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | Q123 L124 Y139 W152 F155 | Q123-T141 WeakPolarHBondContact CG-O 3.32Å; Q123-T141 PolarHBondContact NE2-O 3.36Å; L124-T141 HydrophobicContact CB-CG2 3.87Å; L124-T141 HydrophobicContact CD2-CG2 3.82Å; L124-T141 HydrophobicContact CG-CG2 4.47Å; L124-T141 PolarHBondContact N-OG1 3.01Å; L124-T141 PolarHBondContact O-N 3.45Å; L124-T141 PolarHBondContact O-OG1 3.23Å; Y139-T141 HydrophobicContact CD1-CG2 4.4Å; Y139-T141 HydrophobicContact CE1-CG2 3.77Å; T141-W152 HydrophobicContact CG2-CB 3.91Å; T141-W152 HydrophobicContact CG2-CD2 4.39Å; T141-W152 HydrophobicContact CG2-CG 3.78Å; T141-W152 PolarHBondContact OG1-NE1 3.49Å; T141-W152 VanDerWaalsContact OG1-NE1 3.12Å; T141-F155 HydrophobicContact CG2-CE1 4.34Å | ||
| 142 | E | 91.9 | Very high | 90.6 | Very high | 74 Ų | 74 | 51.3 Ų | 51.3 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | trans | -62.4 | 153.2 | 163.3 | 77 | -74.9 | -172.7 | 0 | 0 | 112.4 | A144 W152 Q153 | E142-A144 PolarHBondContact O-N 2.9Å; E142-W152 PolarHBondContact O-NE1 2.87Å; E142-W152 VanDerWaalsContact OE1-CA 3.28Å; E142-W152 WeakPolarHBondContact OE1-CA 3.28Å; E142-Q153 PolarHBondContact OE1-N 2.65Å | ||
| 143 | V | 90 | Very high | 91.3 | Very high | 37 Ų | 37 | 54.7 Ų | 54.7 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | trans | -78.9 | 115.1 | 175.2 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | Q123 K145 T177 | Q123-V143 HydrophobicContact CB-CG2 4.22Å; Q123-V143 HydrophobicContact CG-CG2 4.23Å; V143-K145 PolarHBondContact O-N 2.94Å; V143-K145 VanDerWaalsContact O-N 3.08Å; V143-T177 WeakPolarHBondContact CG1-OG1 3.41Å; V143-T177 HydrophobicContact CG2-CG2 4.27Å | ||
| 144 | A | 91.4 | Very high | 91.8 | Very high | 17 Ų | 17 | 53.6 Ų | 53.6 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | trans | -78.5 | 94.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | S121 P122 E142 H146 C147 P150 | S121-A144 CarbonylContact C-O 3.51Å; S121-A144 VanDerWaalsContact CA-O 3.24Å; S121-A144 WeakPolarHBondContact CA-O 3.04Å; P122-A144 VanDerWaalsContact CD-O 3.25Å; P122-A144 WeakPolarHBondContact CD-O 3.47Å; P122-A144 HydrophobicContact CG-CB 4.18Å; P122-A144 PolarHBondContact O-N 3.35Å; E142-A144 PolarHBondContact O-N 2.9Å; A144-H146 PolarHBondContact O-N 2.81Å; A144-C147 HydrophobicContact CB-CB 4.2Å; A144-P150 HydrophobicContact CB-CB 3.48Å; A144-P150 VanDerWaalsContact CB-CB 3.48Å | ||
| 145 | K | 88.3 | Confident | 92.3 | Very high | 161 Ų | 161 | 53.1 Ų | 53.1 | 70% | 0.7 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 129.6 | -174.2 | -65.2 | -179.3 | -176.4 | 173.7 | 0 | 111.8 | V143 C147 | V143-K145 PolarHBondContact O-N 2.94Å; V143-K145 VanDerWaalsContact O-N 3.08Å; K145-C147 PolarHBondContact O-N 3.43Å; K145-C147 VanDerWaalsContact O-N 3.11Å |
| 146 | H | 88 | Confident | 92.6 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 39% | 0.389 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 35.9 | 170.2 | -53.7 | -46.7 | 0 | 0 | 0 | 113.9 | K119 S120 S121 A144 | K119-H146 HydrophobicContact CB-CB 4.06Å; K119-H146 WeakPolarHBondContact CB-O 3.39Å; K119-H146 WeakPolarHBondContact CD-O 3.25Å; K119-H146 PolarHBondContact O-ND1 2.78Å; S120-H146 CarbonylContact O-C 3.54Å; S120-H146 VanDerWaalsContact O-CA 3.24Å; S120-H146 WeakPolarHBondContact O-CA 3.44Å; S120-H146 PolarHBondContact O-N 2.78Å; S121-H146 PolarHBondContact OG-N 3.11Å; S121-H146 VanDerWaalsContact OG-N 3.1Å; A144-H146 PolarHBondContact O-N 2.81Å |
| 147 | C | 90.6 | Very high | 92.7 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 27% | 0.27 | 26% | 0.262 | S | S | . | . | trans | -125.1 | 125.6 | -172.7 | -168.9 | 0 | 0 | 0 | 0 | 110.6 | S120 P122 A144 K145 N149 | S120-C147 PolarHBondContact O-N 3.25Å; S120-C147 VanDerWaalsContact O-N 3.1Å; P122-C147 WeakPolarHBondContact CD-O 3.35Å; P122-C147 WeakPolarHBondContact CG-O 3.47Å; A144-C147 HydrophobicContact CB-CB 4.2Å; K145-C147 PolarHBondContact O-N 3.43Å; K145-C147 VanDerWaalsContact O-N 3.11Å; C147-N149 PolarHBondContact SG-O 3.24Å | ||
| 148 | L | 92.2 | Very high | 92.7 | Very high | 33 Ų | 33 | 51.2 Ų | 51.2 | 17% | 0.173 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -96.7 | -6.6 | 175.2 | -54.7 | 179.9 | 0 | 0 | 0 | 112.5 | D110 L111 N113 K119 | D110-L148 PolarHBondContact N-O 3.25Å; L111-L148 HydrophobicContact CB-CB 4.25Å; L111-L148 HydrophobicContact CB-CD2 4.4Å; L111-L148 WeakPolarHBondContact CB-O 3.35Å; L111-L148 VanDerWaalsContact CG-O 3.32Å; L111-L148 WeakPolarHBondContact CG-O 3.26Å; L111-L148 PolarHBondContact N-O 3.49Å; L111-L148 WeakPolarHBondContact O-CD2 3.3Å; N113-L148 HydrophobicContact CB-CD1 4Å; N113-L148 HydrophobicContact CB-CD2 4.3Å; K119-L148 HydrophobicContact CB-CD2 4.38Å; K119-L148 HydrophobicContact CB-CG 4.49Å; K119-L148 HydrophobicContact CD-CG 4.35Å; K119-L148 HydrophobicContact CG-CD1 4.48Å; K119-L148 HydrophobicContact CG-CG 4.39Å |
| 149 | N | 96.1 | Very high | 92.7 | Very high | 81 Ų | 81 | 50.7 Ų | 50.7 | 43% | 0.433 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -127.1 | 57.1 | 177.3 | -60.6 | -61.3 | 0 | 0 | 0 | 110.3 | A108 E109 D110 C147 | A108-N149 CarbonylContact O-C 3.58Å; A108-N149 VanDerWaalsContact O-C 3.26Å; A108-N149 WeakPolarHBondContact O-CA 3.09Å; E109-N149 VanDerWaalsContact CA-OD1 3.24Å; E109-N149 WeakPolarHBondContact CA-OD1 3.25Å; D110-N149 PolarHBondContact N-OD1 2.79Å; C147-N149 PolarHBondContact SG-O 3.24Å |
| 150 | P | 95.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | trans | -66.2 | 137.7 | -174.8 | 31.2 | -38.6 | 0 | 0 | 0 | 111.2 | R107 A108 L111 P122 A144 W152 | R107-P150 CarbonylContact C-O 3.5Å; R107-P150 WeakPolarHBondContact CA-O 3.43Å; R107-P150 WeakPolarHBondContact CB-O 3.28Å; A108-P150 HydrophobicContact CB-CG 3.82Å; A108-P150 PolarHBondContact N-O 3.25Å; L111-P150 HydrophobicContact CD1-CG 3.89Å; P122-P150 HydrophobicContact CB-CG 4.43Å; P122-P150 HydrophobicContact CG-CB 4.07Å; P122-P150 HydrophobicContact CG-CG 3.72Å; A144-P150 HydrophobicContact CB-CB 3.48Å; A144-P150 VanDerWaalsContact CB-CB 3.48Å; P150-W152 HydrophobicContact CB-CD2 4.33Å; P150-W152 HydrophobicContact CB-CH2 4.07Å; P150-W152 HydrophobicContact CB-CZ2 3.79Å; P150-W152 HydrophobicContact CB-CZ3 4.44Å; P150-W152 HydrophobicContact CG-CH2 3.37Å; P150-W152 HydrophobicContact CG-CZ2 3.51Å; P150-W152 HydrophobicContact CG-CZ3 3.92Å | ||
| 151 | V | 96.8 | Very high | 92.1 | Very high | 96 Ų | 96 | 52 Ų | 52 | 58% | 0.582 | 28% | 0.279 | S | S | * | . | B | Isolated β-bridge | trans | -113.6 | 111.5 | 163.4 | -178 | 0 | 0 | 0 | 0 | 105.4 | R107 | R107-V151 HydrophobicContact CB-CB 4.35Å; R107-V151 HydrophobicContact CB-CG1 4.41Å; R107-V151 HydrophobicContact CB-CG2 4.01Å |
| 152 | W | 96.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 154.1 | 179 | -65.9 | -77.7 | 0 | 0 | 0 | 110.4 | I106 A108 P122 L124 T141 E142 P150 L174 I227 | I106-W152 HydrophobicContact CB-CE3 4.23Å; I106-W152 HydrophobicContact CG2-CE3 3.84Å; I106-W152 HydrophobicContact CG2-CZ3 3.96Å; I106-W152 PolarHBondContact O-N 2.92Å; I106-W152 VanDerWaalsContact O-N 3.13Å; A108-W152 HydrophobicContact CB-CH2 3.96Å; A108-W152 HydrophobicContact CB-CZ3 4.02Å; P122-W152 HydrophobicContact CB-CZ2 4.19Å; L124-W152 HydrophobicContact CB-CD2 4.46Å; L124-W152 HydrophobicContact CB-CH2 4.41Å; L124-W152 HydrophobicContact CB-CZ2 4.15Å; L124-W152 HydrophobicContact CD1-CE3 4.44Å; L124-W152 HydrophobicContact CD1-CH2 4.3Å; L124-W152 HydrophobicContact CD1-CZ3 4.1Å; T141-W152 HydrophobicContact CG2-CB 3.91Å; T141-W152 HydrophobicContact CG2-CD2 4.39Å; T141-W152 HydrophobicContact CG2-CG 3.78Å; T141-W152 PolarHBondContact OG1-NE1 3.49Å; T141-W152 VanDerWaalsContact OG1-NE1 3.12Å; E142-W152 PolarHBondContact O-NE1 2.87Å; E142-W152 VanDerWaalsContact OE1-CA 3.28Å; E142-W152 WeakPolarHBondContact OE1-CA 3.28Å; P150-W152 HydrophobicContact CB-CD2 4.33Å; P150-W152 HydrophobicContact CB-CH2 4.07Å; P150-W152 HydrophobicContact CB-CZ2 3.79Å; P150-W152 HydrophobicContact CB-CZ3 4.44Å; P150-W152 HydrophobicContact CG-CH2 3.37Å; P150-W152 HydrophobicContact CG-CZ2 3.51Å; P150-W152 HydrophobicContact CG-CZ3 3.92Å; W152-L174 HydrophobicContact CH2-CD1 3.56Å; W152-L174 HydrophobicContact CZ2-CD1 3.77Å; W152-I227 HydrophobicContact CZ3-CD1 4.46Å |
| 153 | Q | 96.6 | Very high | 91.6 | Very high | 130 Ų | 130 | 48.3 Ų | 48.3 | 61% | 0.607 | 26% | 0.262 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 135.5 | 175.1 | -68.6 | -59 | -49.1 | 0 | 0 | 110.8 | E142 | E142-Q153 PolarHBondContact OE1-N 2.65Š|
| 154 | P | 96 | Very high | 91.3 | Very high | 84 Ų | 84 | 47 Ų | 47 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 145.6 | 171.3 | -22.4 | 33.5 | 0 | 0 | 0 | 111.6 | F104 | F104-P154 VanDerWaalsContact O-CA 3.31Å; F104-P154 WeakPolarHBondContact O-CA 3.48Å |
| 155 | F | 94.5 | Very high | 90.9 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 157.8 | 178.8 | 62.1 | -86.5 | 0 | 0 | 0 | 111 | S103 F104 I106 I126 Y139 T141 L157 | S103-F155 CarbonylContact C-O 3.57Å; S103-F155 WeakPolarHBondContact CA-O 3.43Å; F104-F155 HydrophobicContact CB-CD1 4.17Å; F104-F155 HydrophobicContact CB-CD2 4.22Å; F104-F155 HydrophobicContact CB-CE1 3.69Å; F104-F155 HydrophobicContact CB-CE2 3.76Å; F104-F155 HydrophobicContact CB-CG 4.41Å; F104-F155 HydrophobicContact CB-CZ 3.46Å; F104-F155 VanDerWaalsContact CB-CZ 3.46Å; F104-F155 HydrophobicContact CD1-CZ 4.45Å; F104-F155 AromaticContact CD2-CD2 3.93Å; F104-F155 HydrophobicContact CD2-CD2 3.93Å; F104-F155 AromaticContact CD2-CE2 3.35Å; F104-F155 HydrophobicContact CD2-CE2 3.35Å; F104-F155 AromaticContact CD2-CZ 3.85Å; F104-F155 HydrophobicContact CD2-CZ 3.85Å; F104-F155 HydrophobicContact CE2-CE2 4.1Å; F104-F155 HydrophobicContact CG-CD2 4.44Å; F104-F155 HydrophobicContact CG-CE1 4.41Å; F104-F155 AromaticContact CG-CE2 3.7Å; F104-F155 HydrophobicContact CG-CE2 3.7Å; F104-F155 AromaticContact CG-CZ 3.68Å; F104-F155 HydrophobicContact CG-CZ 3.68Å; F104-F155 PolarHBondContact N-O 3.34Å; F104-F155 PolarHBondContact O-N 2.84Å; I106-F155 HydrophobicContact CD1-CE1 4.04Å; I106-F155 HydrophobicContact CD1-CZ 3.99Å; I126-F155 HydrophobicContact CD1-CE2 3.9Å; I126-F155 HydrophobicContact CD1-CZ 3.69Å; Y139-F155 HydrophobicContact CD1-CD1 4.32Å; Y139-F155 AromaticContact CD1-CD2 3.99Å; Y139-F155 HydrophobicContact CD1-CD2 3.99Å; Y139-F155 AromaticContact CD1-CE1 3.92Å; Y139-F155 HydrophobicContact CD1-CE1 3.92Å; Y139-F155 AromaticContact CD1-CE2 3.54Å; Y139-F155 HydrophobicContact CD1-CE2 3.54Å; Y139-F155 HydrophobicContact CD1-CG 4.36Å; Y139-F155 AromaticContact CD1-CZ 3.51Å; Y139-F155 HydrophobicContact CD1-CZ 3.51Å; Y139-F155 HydrophobicContact CD2-CD2 4.01Å; Y139-F155 HydrophobicContact CD2-CE2 4.2Å; Y139-F155 AromaticContact CE1-CD1 3.46Å; Y139-F155 HydrophobicContact CE1-CD1 3.46Å; Y139-F155 VanDerWaalsContact CE1-CD1 3.46Å; Y139-F155 AromaticContact CE1-CD2 3.73Å; Y139-F155 HydrophobicContact CE1-CD2 3.73Å; Y139-F155 AromaticContact CE1-CE1 3.39Å; Y139-F155 HydrophobicContact CE1-CE1 3.39Å; Y139-F155 AromaticContact CE1-CE2 3.65Å; Y139-F155 HydrophobicContact CE1-CE2 3.65Å; Y139-F155 AromaticContact CE1-CG 3.64Å; Y139-F155 HydrophobicContact CE1-CG 3.64Å; Y139-F155 AromaticContact CE1-CZ 3.48Å; Y139-F155 HydrophobicContact CE1-CZ 3.48Å; Y139-F155 VanDerWaalsContact CE1-CZ 3.48Å; Y139-F155 HydrophobicContact CE2-CB 4.1Å; Y139-F155 HydrophobicContact CE2-CD1 4.49Å; Y139-F155 AromaticContact CE2-CD2 3.74Å; Y139-F155 HydrophobicContact CE2-CD2 3.74Å; Y139-F155 HydrophobicContact CE2-CE2 4.28Å; Y139-F155 AromaticContact CE2-CG 3.86Å; Y139-F155 HydrophobicContact CE2-CG 3.86Å; Y139-F155 HydrophobicContact CG-CD2 4.12Å; Y139-F155 AromaticContact CG-CE2 3.83Å; Y139-F155 HydrophobicContact CG-CE2 3.83Å; Y139-F155 HydrophobicContact CG-CZ 4.27Å; Y139-F155 AromaticContact CZ-CD1 3.56Å; Y139-F155 AromaticContact CZ-CD2 3.6Å; Y139-F155 AromaticContact CZ-CE1 4Å; Y139-F155 AromaticContact CZ-CG 3.35Å; Y139-F155 WeakPolarHBondContact OH-CB 3.26Å; Y139-F155 WeakPolarHBondContact OH-CD1 3.37Å; Y139-F155 WeakPolarHBondContact OH-CG 3.44Å; T141-F155 HydrophobicContact CG2-CE1 4.34Å; F155-L157 HydrophobicContact CD2-CD1 4.1Å; F155-L157 HydrophobicContact CD2-CG 4.21Å; F155-L157 HydrophobicContact CE2-CD1 4.05Å |
| 156 | S | 92.3 | Very high | 90.8 | Very high | 50 Ų | 50 | 44 Ų | 44 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141.7 | 177.1 | -52.4 | 0 | 0 | 0 | 0 | 110 | V102 S103 | V102-S156 VanDerWaalsContact O-CA 3.26Å; V102-S156 WeakPolarHBondContact O-CA 3.44Å; S103-S156 WeakPolarHBondContact CB-OG 3.34Å; S103-S156 PolarHBondContact OG-OG 3.21Å |
| 157 | L | 91.1 | Very high | 90.7 | Very high | 32 Ų | 32 | 41 Ų | 41 | 17% | 0.168 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 138.6 | 179.3 | -65.5 | 168.9 | 0 | 0 | 0 | 110 | E101 V102 Y139 F155 T159 L162 | E101-L157 CarbonylContact C-O 3.53Å; E101-L157 WeakPolarHBondContact CA-O 3.46Å; V102-L157 PolarHBondContact N-O 3.05Å; V102-L157 PolarHBondContact O-N 3.17Å; Y139-L157 HydrophobicContact CD2-CD1 3.76Å; Y139-L157 HydrophobicContact CD2-CD2 4.3Å; Y139-L157 HydrophobicContact CD2-CG 4.43Å; Y139-L157 HydrophobicContact CG-CD1 3.95Å; F155-L157 HydrophobicContact CD2-CD1 4.1Å; F155-L157 HydrophobicContact CD2-CG 4.21Å; F155-L157 HydrophobicContact CE2-CD1 4.05Å; L157-T159 PolarHBondContact O-N 3.01Å; L157-L162 HydrophobicContact CB-CB 4.21Å; L157-L162 HydrophobicContact CB-CD1 4.41Å; L157-L162 HydrophobicContact CD1-CD1 3.85Å |
| 158 | G | 91 | Very high | 90.6 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 19% | 0.186 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 133.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | E100 S160 Q161 L162 | E100-G158 CarbonylContact O-C 3.54Å; E100-G158 WeakPolarHBondContact O-CA 3.49Å; G158-S160 PolarHBondContact O-N 2.96Å; G158-Q161 PolarHBondContact O-N 2.9Å; G158-Q161 VanDerWaalsContact O-N 3.14Å; G158-L162 WeakPolarHBondContact O-CB 3.1Å; G158-L162 PolarHBondContact O-N 3.17Å |
| 159 | T | 90 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -32.7 | -177.6 | 51.2 | 0 | 0 | 0 | 0 | 112.4 | S98 E100 V102 L157 L162 C163 C164 S165 H167 | S98-T159 WeakPolarHBondContact CB-OG1 3.4Å; S98-T159 PolarHBondContact OG-OG1 2.72Å; E100-T159 HydrophobicContact CB-CG2 3.64Å; E100-T159 WeakPolarHBondContact O-CG2 3.24Å; E100-T159 PolarHBondContact O-N 2.75Å; E100-T159 PolarHBondContact O-OG1 2.81Å; V102-T159 HydrophobicContact CG2-CG2 3.53Å; L157-T159 PolarHBondContact O-N 3.01Å; T159-L162 PolarHBondContact O-N 2.95Å; T159-C163 CarbonylContact O-C 3.57Å; T159-C163 PolarHBondContact O-N 3.11Å; T159-C163 PolarHBondContact O-SG 3.04Å; T159-C164 PolarHBondContact O-N 3.33Å; T159-S165 PolarHBondContact O-N 3.13Å; T159-H167 WeakPolarHBondContact CG2-NE2 3.42Å |
| 160 | S | 87.5 | Confident | 90.3 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.9 | -54.3 | 173.6 | -177.2 | 0 | 0 | 0 | 0 | 112 | Q95 I96 G158 C164 | Q95-S160 WeakPolarHBondContact CG-OG 3.41Å; Q95-S160 PolarHBondContact NE2-OG 3.4Å; I96-S160 WeakPolarHBondContact O-CB 3.48Å; I96-S160 PolarHBondContact O-OG 2.7Å; G158-S160 PolarHBondContact O-N 2.96Å; S160-C164 WeakPolarHBondContact O-CA 3.48Å; S160-C164 PolarHBondContact O-N 3.26Å |
| 161 | Q | 85 | Confident | 90 | Very high | 121 Ų | 121 | 39.9 Ų | 39.9 | 57% | 0.565 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -71.1 | -38.3 | 177.5 | -68.4 | 179.2 | -10.8 | 0 | 0 | 112 | R128 G158 | R128-Q161 PolarHBondContact NH1-O 2.64Å; G158-Q161 PolarHBondContact O-N 2.9Å; G158-Q161 VanDerWaalsContact O-N 3.14Å |
| 162 | L | 88.3 | Confident | 89.7 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.2 | -44.8 | -175.8 | 176.9 | 63.4 | 0 | 0 | 0 | 112.2 | V102 F104 I126 V138 L157 G158 T159 L170 | V102-L162 HydrophobicContact CB-CD2 3.83Å; V102-L162 HydrophobicContact CG2-CD2 3.66Å; F104-L162 HydrophobicContact CE2-CD1 4.45Å; F104-L162 HydrophobicContact CE2-CD2 3.84Å; F104-L162 HydrophobicContact CZ-CD2 3.95Å; I126-L162 HydrophobicContact CG2-CD1 4.22Å; V138-L162 HydrophobicContact CG2-CD1 3.9Å; L157-L162 HydrophobicContact CB-CB 4.21Å; L157-L162 HydrophobicContact CB-CD1 4.41Å; L157-L162 HydrophobicContact CD1-CD1 3.85Å; G158-L162 WeakPolarHBondContact O-CB 3.1Å; G158-L162 PolarHBondContact O-N 3.17Å; T159-L162 PolarHBondContact O-N 2.95Å; L162-L170 HydrophobicContact CD1-CD1 4.31Å; L162-L170 HydrophobicContact CD1-CD2 3.92Å; L162-L170 HydrophobicContact CD2-CD1 3.98Å; L162-L170 HydrophobicContact CG-CD1 3.98Å; L162-L170 HydrophobicContact CG-CD2 3.97Å; L162-L170 WeakPolarHBondContact O-CD2 3.2Å |
| 163 | C | 85.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -154.8 | 14.7 | -165.5 | 63.7 | 0 | 0 | 0 | 0 | 115 | T159 S165 D166 H167 L170 | T159-C163 CarbonylContact O-C 3.57Å; T159-C163 PolarHBondContact O-N 3.11Å; T159-C163 PolarHBondContact O-SG 3.04Å; C163-S165 PolarHBondContact O-N 3.25Å; C163-D166 VanDerWaalsContact CB-O 3.27Å; C163-D166 WeakPolarHBondContact CB-O 3.46Å; C163-D166 PolarHBondContact O-N 2.9Å; C163-H167 VanDerWaalsContact SG-CD2 3.58Å; C163-L170 HydrophobicContact CB-CD1 4.27Å; C163-L170 HydrophobicContact CB-CD2 3.76Å; C163-L170 HydrophobicContact CB-CG 3.83Å |
| 164 | C | 84.1 | Confident | 89 | Confident | 10 Ų | 10 | 29.4 Ų | 29.4 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 36.7 | -172.3 | -55 | 0 | 0 | 0 | 0 | 112.1 | E93 R128 T159 S160 D166 | E93-C164 PolarHBondContact OE1-SG 3.2Å; R128-C164 VanDerWaalsContact CZ-SG 3.54Å; T159-C164 PolarHBondContact O-N 3.33Å; S160-C164 WeakPolarHBondContact O-CA 3.48Å; S160-C164 PolarHBondContact O-N 3.26Å; C164-D166 PolarHBondContact O-N 3.08Å |
| 165 | S | 82.5 | Confident | 88.4 | Confident | 43 Ų | 43 | 25.6 Ų | 25.6 | 30% | 0.301 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 15.4 | -176.5 | -49.3 | 0 | 0 | 0 | 0 | 115.2 | S98 T159 C163 | S98-S165 VanDerWaalsContact CB-OG 3.31Å; S98-S165 WeakPolarHBondContact CB-OG 3.47Å; T159-S165 PolarHBondContact O-N 3.13Å; C163-S165 PolarHBondContact O-N 3.25Å |
| 166 | D | 87.8 | Confident | 87.6 | Confident | 71 Ų | 71 | 25.4 Ų | 25.4 | 38% | 0.38 | 14% | 0.137 | S | C | . | . | trans | -118 | 98.1 | 171.1 | 177.7 | 7.4 | 0 | 0 | 0 | 111.4 | C163 C164 Y168 R169 | C163-D166 VanDerWaalsContact CB-O 3.27Å; C163-D166 WeakPolarHBondContact CB-O 3.46Å; C163-D166 PolarHBondContact O-N 2.9Å; C164-D166 PolarHBondContact O-N 3.08Å; D166-Y168 PolarHBondContact O-N 3.38Å; D166-Y168 VanDerWaalsContact O-N 3.11Å; D166-Y168 VanDerWaalsContact OD1-CB 3.25Å; D166-Y168 WeakPolarHBondContact OD1-CB 3.17Å; D166-Y168 PolarHBondContact OD1-N 3.48Å; D166-R169 HydrophobicContact CB-CG 4.09Å; D166-R169 WeakPolarHBondContact O-CB 3.25Å; D166-R169 PolarHBondContact O-N 3.12Å; D166-R169 WeakPolarHBondContact OD2-CG 3.41Å | ||
| 167 | H | 85.9 | Confident | 86.5 | Confident | 20 Ų | 20 | 23.5 Ų | 23.5 | 9% | 0.093 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -59.9 | -23.4 | -179.4 | -56 | 140.4 | 0 | 0 | 0 | 113.8 | T159 C163 R169 L170 S196 I199 | T159-H167 WeakPolarHBondContact CG2-NE2 3.42Å; C163-H167 VanDerWaalsContact SG-CD2 3.58Å; H167-R169 PolarHBondContact O-N 2.86Å; H167-L170 WeakPolarHBondContact O-CB 3.49Å; H167-L170 PolarHBondContact O-N 3.37Å; H167-S196 WeakPolarHBondContact CB-OG 3.36Å; H167-I199 HydrophobicContact CB-CD1 4.33Å; H167-I199 WeakPolarHBondContact ND1-CG2 3.35Å |
| 168 | Y | 88.4 | Confident | 85.1 | Confident | 91 Ų | 91 | 25.6 Ų | 25.6 | 36% | 0.357 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -69.5 | -10.9 | 178.5 | -169.1 | -104.4 | 0 | 0 | 0 | 112.4 | D166 L170 R192 E193 S196 | D166-Y168 PolarHBondContact O-N 3.38Å; D166-Y168 VanDerWaalsContact O-N 3.11Å; D166-Y168 VanDerWaalsContact OD1-CB 3.25Å; D166-Y168 WeakPolarHBondContact OD1-CB 3.17Å; D166-Y168 PolarHBondContact OD1-N 3.48Å; Y168-L170 VanDerWaalsContact C-N 3.29Å; Y168-L170 PolarHBondContact O-N 3.46Å; Y168-R192 HydrophobicContact CD2-CB 4.37Å; Y168-R192 HydrophobicContact CE2-CB 4.23Å; Y168-R192 VanDerWaalsContact O-CB 3.31Å; Y168-R192 WeakPolarHBondContact O-CB 3.41Å; Y168-R192 VanDerWaalsContact O-CD 3.3Å; Y168-R192 WeakPolarHBondContact O-CD 3.34Å; Y168-E193 HydrophobicContact CE2-CB 4.47Å; Y168-E193 HydrophobicContact CE2-CG 3.79Å; Y168-E193 WeakPolarHBondContact CE2-OE1 3.46Å; Y168-E193 PolarHBondContact OH-OE1 3.27Å; Y168-S196 PolarHBondContact N-OG 3.02Å |
| 169 | R | 89.9 | Confident | 83.2 | Confident | 34 Ų | 34 | 29.3 Ų | 29.3 | 13% | 0.128 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -83.1 | -4.7 | 176.2 | -61.9 | 177 | 64.6 | -176.8 | -8.7 | 113.3 | E93 R128 V129 D166 H167 | E93-R169 IonicContact OE1-CZ 2.72Å; E93-R169 IonicContact OE1-NH1 3.4Å; E93-R169 PolarHBondContact OE1-NH1 2.67Å; E93-R169 IonicContact OE1-NH2 3.26Å; E93-R169 PolarHBondContact OE1-NH2 3.26Å; E93-R169 IonicContact OE2-NH2 2.67Å; E93-R169 PolarHBondContact OE2-NH2 2.73Å; R128-R169 CarbonylContact C-O 3.57Å; R128-R169 WeakPolarHBondContact CA-O 3.19Å; R128-R169 HydrophobicContact CG-CB 4.07Å; V129-R169 PolarHBondContact N-O 2.83Å; V129-R169 VanDerWaalsContact O-CZ 3.32Å; V129-R169 PolarHBondContact O-NE 3.32Å; V129-R169 PolarHBondContact O-NH2 3.37Å; D166-R169 HydrophobicContact CB-CG 4.09Å; D166-R169 WeakPolarHBondContact O-CB 3.25Å; D166-R169 PolarHBondContact O-N 3.12Å; D166-R169 WeakPolarHBondContact OD2-CG 3.41Å; H167-R169 PolarHBondContact O-N 2.86Å |
| 170 | L | 91.8 | Very high | 81.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 128.3 | -173.5 | -67.1 | 178.9 | 0 | 0 | 0 | 113.7 | I126 Y127 L162 C163 H167 Y168 R192 I195 I199 | I126-L170 HydrophobicContact CG2-CD2 3.82Å; Y127-L170 CarbonylContact O-C 3.6Å; Y127-L170 WeakPolarHBondContact O-CA 3.45Å; L162-L170 HydrophobicContact CD1-CD1 4.31Å; L162-L170 HydrophobicContact CD1-CD2 3.92Å; L162-L170 HydrophobicContact CD2-CD1 3.98Å; L162-L170 HydrophobicContact CG-CD1 3.98Å; L162-L170 HydrophobicContact CG-CD2 3.97Å; L162-L170 WeakPolarHBondContact O-CD2 3.2Å; C163-L170 HydrophobicContact CB-CD1 4.27Å; C163-L170 HydrophobicContact CB-CD2 3.76Å; C163-L170 HydrophobicContact CB-CG 3.83Å; H167-L170 WeakPolarHBondContact O-CB 3.49Å; H167-L170 PolarHBondContact O-N 3.37Å; Y168-L170 VanDerWaalsContact C-N 3.29Å; Y168-L170 PolarHBondContact O-N 3.46Å; L170-R192 WeakPolarHBondContact O-CA 3.17Å; L170-R192 WeakPolarHBondContact O-CG 3.24Å; L170-I195 HydrophobicContact CB-CB 4.49Å; L170-I195 HydrophobicContact CB-CG2 3.83Å; L170-I195 HydrophobicContact CD1-CG2 4.07Å; L170-I195 WeakPolarHBondContact O-CD1 3.42Å; L170-I199 HydrophobicContact CD1-CD1 3.62Å |
| 171 | V | 89.6 | Confident | 79.5 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.9 | 170.7 | 177 | 0 | 0 | 0 | 0 | 109 | Y127 V129 W135 T189 R192 | Y127-V171 PolarHBondContact N-O 3.08Å; Y127-V171 PolarHBondContact O-N 2.97Å; V129-V171 HydrophobicContact CG2-CG2 3.65Å; W135-V171 HydrophobicContact CE3-CG1 4.41Å; W135-V171 HydrophobicContact CH2-CG1 3.76Å; W135-V171 HydrophobicContact CZ2-CG1 4.23Å; W135-V171 HydrophobicContact CZ2-CG2 4.35Å; W135-V171 HydrophobicContact CZ3-CG1 3.85Å; V171-T189 HydrophobicContact CG1-CG2 4.4Å; V171-R192 HydrophobicContact CG2-CG 3.56Å |
| 172 | L | 89.8 | Confident | 77.9 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.7 | 176.1 | -172.2 | 151.9 | 0 | 0 | 0 | 109.8 | I106 L124 I126 T189 I190 I195 I227 I229 | I106-L172 HydrophobicContact CD1-CD1 3.96Å; L124-L172 HydrophobicContact CD1-CD1 3.96Å; L124-L172 HydrophobicContact CD1-CD2 3.31Å; L124-L172 HydrophobicContact CD1-CG 3.87Å; L124-L172 HydrophobicContact CD2-CD1 3.92Å; L124-L172 HydrophobicContact CD2-CD2 4.37Å; L124-L172 HydrophobicContact CD2-CG 4.02Å; L124-L172 HydrophobicContact CG-CD1 4.25Å; L124-L172 HydrophobicContact CG-CD2 3.78Å; L124-L172 HydrophobicContact CG-CG 3.95Å; I126-L172 HydrophobicContact CG1-CD1 4.29Å; I126-L172 HydrophobicContact CG1-CG 4.45Å; L172-T189 CarbonylContact O-C 3.59Å; L172-T189 WeakPolarHBondContact O-CA 3.39Å; L172-I190 HydrophobicContact CB-CB 4.23Å; L172-I190 HydrophobicContact CB-CD1 4.11Å; L172-I190 HydrophobicContact CB-CG1 4.37Å; L172-I190 HydrophobicContact CD1-CD1 4.35Å; L172-I190 HydrophobicContact CD2-CD1 3.35Å; L172-I190 HydrophobicContact CD2-CG1 3.93Å; L172-I190 HydrophobicContact CG-CD1 4.14Å; L172-I190 PolarHBondContact O-N 2.94Å; L172-I195 HydrophobicContact CB-CD1 3.45Å; L172-I195 VanDerWaalsContact CB-CD1 3.45Å; L172-I195 HydrophobicContact CB-CG1 4.41Å; L172-I195 VanDerWaalsContact N-CD1 3.3Å; L172-I227 HydrophobicContact CD2-CD1 3.74Å; L172-I229 HydrophobicContact CD1-CD1 3.91Å |
| 173 | A | 89.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L124 A125 Y127 P186 Y188 | L124-A173 WeakPolarHBondContact CA-O 3.19Å; A125-A173 PolarHBondContact N-O 2.89Å; A125-A173 PolarHBondContact O-N 3.35Å; Y127-A173 HydrophobicContact CD2-CB 3.99Å; Y127-A173 HydrophobicContact CE2-CB 3.64Å; A173-P186 HydrophobicContact CB-CB 4.02Å; A173-P186 HydrophobicContact CB-CG 4.21Å; A173-Y188 CarbonylContact C-O 3.51Å; A173-Y188 VanDerWaalsContact CA-O 3.31Å; A173-Y188 WeakPolarHBondContact CA-O 3.48Å |
| 174 | L | 88.2 | Confident | 75.2 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.2 | 174.5 | -178.5 | 70.2 | 0 | 0 | 0 | 109.7 | L111 P122 L124 W152 T187 Y188 L209 | L111-L174 HydrophobicContact CD1-CD2 4.37Å; L111-L174 HydrophobicContact CD2-CD2 3.79Å; P122-L174 HydrophobicContact CB-CD1 4.15Å; L124-L174 HydrophobicContact CB-CD1 4.43Å; W152-L174 HydrophobicContact CH2-CD1 3.56Å; W152-L174 HydrophobicContact CZ2-CD1 3.77Å; L174-T187 PolarHBondContact O-N 3.45Å; L174-Y188 HydrophobicContact CB-CD2 4.37Å; L174-Y188 HydrophobicContact CD2-CD2 4.14Å; L174-Y188 HydrophobicContact CG-CD2 4.42Å; L174-Y188 PolarHBondContact N-O 2.96Å; L174-Y188 PolarHBondContact O-N 3Å; L174-Y188 VanDerWaalsContact O-N 3.11Å; L174-L209 HydrophobicContact CD2-CD1 3.53Å; L174-L209 HydrophobicContact CD2-CD2 4.27Å |
| 175 | G | 84.2 | Confident | 74.1 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 164.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P122 Q123 H185 | P122-G175 WeakPolarHBondContact CA-O 3.34Å; Q123-G175 PolarHBondContact N-O 3.2Å; Q123-G175 PolarHBondContact O-N 2.77Å; Q123-G175 VanDerWaalsContact O-N 3.12Å; G175-H185 VanDerWaalsContact CA-O 3.31Å; G175-H185 WeakPolarHBondContact CA-O 3.28Å |
| 176 | D | 77.8 | Confident | 73.2 | Confident | 16 Ų | 16 | 49.2 Ų | 49.2 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129 | 169.2 | -172.8 | -0.4 | 0 | 0 | 0 | 108.1 | R115 S120 S121 V178 | R115-D176 IonicContact CZ-OD1 3.63Å; R115-D176 IonicContact CZ-OD2 3.74Å; R115-D176 IonicContact NE-OD1 3.61Å; R115-D176 IonicContact NE-OD2 3.03Å; R115-D176 PolarHBondContact NE-OD2 2.92Å; R115-D176 IonicContact NH2-OD1 2.81Å; R115-D176 PolarHBondContact NH2-OD1 3Å; R115-D176 IonicContact NH2-OD2 3.51Å; S120-D176 VanDerWaalsContact CB-OD2 3.24Å; S120-D176 WeakPolarHBondContact CB-OD2 3.31Å; S120-D176 PolarHBondContact OG-OD2 3.09Å; S121-D176 PolarHBondContact N-OD1 2.93Å; D176-V178 PolarHBondContact O-N 2.86Å |
| 177 | T | 68 | Low | 72.2 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 104.8 | 178.5 | -21.6 | 0 | 0 | 0 | 0 | 109.7 | R115 S121 Q123 V143 S179 R182 | R115-T177 PolarHBondContact NH2-O 2.91Å; S121-T177 PolarHBondContact O-N 3.48Å; S121-T177 PolarHBondContact O-OG1 2.74Å; S121-T177 VanDerWaalsContact O-OG1 3.08Å; Q123-T177 WeakPolarHBondContact CB-OG1 3.32Å; V143-T177 WeakPolarHBondContact CG1-OG1 3.41Å; V143-T177 HydrophobicContact CG2-CG2 4.27Å; T177-S179 PolarHBondContact O-N 3.09Å; T177-R182 VanDerWaalsContact CG2-CA 3.5Å; T177-R182 HydrophobicContact CG2-CB 4.34Å; T177-R182 WeakPolarHBondContact CG2-O 2.71Å |
| 178 | V | 62.9 | Low | 71.9 | Confident | 76 Ų | 76 | 48.1 Ų | 48.1 | 46% | 0.461 | 25% | 0.249 | S | C | . | . | trans | -77.6 | 113.6 | 175.9 | -163.3 | 0 | 0 | 0 | 0 | 108.3 | D176 F181 | D176-V178 PolarHBondContact O-N 2.86Å; V178-F181 PolarHBondContact O-N 3.15Å | ||
| 179 | S | 51.3 | Low | 71.5 | Confident | 96 Ų | 96 | 47.3 Ų | 47.3 | 67% | 0.671 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 137.8 | 168.7 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | T177 | T177-S179 PolarHBondContact O-N 3.09Š|
| 180 | P | 49 | Very low | 71.1 | Confident | 72 Ų | 72 | 45.9 Ų | 45.9 | 47% | 0.468 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -97.4 | -10.3 | 14.1 | 34.7 | -33.1 | 0 | 0 | 0 | 116.8 | R182 | P180-R182 VanDerWaalsContact C-N 3.33Å; P180-R182 PolarHBondContact O-N 2.66Å |
| 181 | F | 49.6 | Very low | 70.4 | Confident | 113 Ų | 113 | 49.9 Ų | 49.9 | 50% | 0.496 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9 | -163.7 | -59.7 | -70.3 | 0 | 0 | 0 | 116.2 | V178 T183 | V178-F181 PolarHBondContact O-N 3.15Å; F181-T183 PolarHBondContact O-N 3.43Å; F181-T183 PolarHBondContact O-OG1 2.97Å |
| 182 | R | 52.7 | Low | 70.1 | Confident | 164 Ų | 164 | 53.5 Ų | 53.5 | 62% | 0.619 | 28% | 0.282 | S | S | * | . | trans | 51.2 | 12.9 | -178 | -69.1 | -174.1 | -175.9 | -120.7 | 5.9 | 115.1 | T177 P180 | T177-R182 VanDerWaalsContact CG2-CA 3.5Å; T177-R182 HydrophobicContact CG2-CB 4.34Å; T177-R182 WeakPolarHBondContact CG2-O 2.71Å; P180-R182 VanDerWaalsContact C-N 3.33Å; P180-R182 PolarHBondContact O-N 2.66Å | ||
| 183 | T | 56.9 | Low | 69.9 | Low | 52 Ų | 52 | 57.2 Ų | 57.2 | 32% | 0.319 | 30% | 0.3 | S | S | . | . | trans | -80 | 124.1 | 176.4 | -37 | 0 | 0 | 0 | 0 | 108.7 | F181 H185 | F181-T183 PolarHBondContact O-N 3.43Å; F181-T183 PolarHBondContact O-OG1 2.97Å; T183-H185 PolarHBondContact O-N 3.41Å; T183-H185 PolarHBondContact O-ND1 2.93Å | ||
| 184 | I | 59.1 | Low | 69.5 | Low | 14 Ų | 14 | 58.4 Ų | 58.4 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 126.6 | 168.5 | -59.8 | 172.3 | 0 | 0 | 0 | 106.5 | Q123 A125 P186 | Q123-I184 HydrophobicContact CB-CD1 4.27Å; Q123-I184 HydrophobicContact CB-CG1 4.19Å; Q123-I184 HydrophobicContact CG-CD1 3.83Å; Q123-I184 HydrophobicContact CG-CG1 4.14Å; A125-I184 HydrophobicContact CB-CD1 3.53Å; I184-P186 HydrophobicContact CG2-CG 4.42Å; I184-P186 VanDerWaalsContact O-CD 3.27Å; I184-P186 WeakPolarHBondContact O-CD 3.48Å |
| 185 | H | 61.9 | Low | 69.3 | Low | 122 Ų | 122 | 58.5 Ų | 58.5 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 100.4 | 159.6 | -70.8 | 69.5 | 0 | 0 | 0 | 106.2 | G175 T183 T187 | G175-H185 VanDerWaalsContact CA-O 3.31Å; G175-H185 WeakPolarHBondContact CA-O 3.28Å; T183-H185 PolarHBondContact O-N 3.41Å; T183-H185 PolarHBondContact O-ND1 2.93Å; H185-T187 PolarHBondContact O-N 3.25Å; H185-T187 PolarHBondContact O-OG1 3.16Å |
| 186 | P | 62.6 | Low | 69.4 | Low | 66 Ų | 66 | 58.7 Ų | 58.7 | 43% | 0.429 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.1 | 109.2 | 176.4 | -29.1 | 37.7 | 0 | 0 | 0 | 109.2 | A173 I184 | A173-P186 HydrophobicContact CB-CB 4.02Å; A173-P186 HydrophobicContact CB-CG 4.21Å; I184-P186 HydrophobicContact CG2-CG 4.42Å; I184-P186 VanDerWaalsContact O-CD 3.27Å; I184-P186 WeakPolarHBondContact O-CD 3.48Å |
| 187 | T | 67 | Low | 69.7 | Low | 53 Ų | 53 | 62.3 Ų | 62.3 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -29.8 | 174.3 | -44.7 | 0 | 0 | 0 | 0 | 110.2 | K114 L174 H185 | K114-T187 PolarHBondContact NZ-OG1 3.34Å; L174-T187 PolarHBondContact O-N 3.45Å; H185-T187 PolarHBondContact O-N 3.25Å; H185-T187 PolarHBondContact O-OG1 3.16Å |
| 188 | Y | 79.4 | Confident | 70.5 | Confident | 15 Ų | 15 | 62 Ų | 62 | 6% | 0.059 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135.1 | 179.6 | -48.5 | -71.5 | 0 | 0 | 0 | 108.5 | A173 L174 L209 N211 S224 | A173-Y188 CarbonylContact C-O 3.51Å; A173-Y188 VanDerWaalsContact CA-O 3.31Å; A173-Y188 WeakPolarHBondContact CA-O 3.48Å; L174-Y188 HydrophobicContact CB-CD2 4.37Å; L174-Y188 HydrophobicContact CD2-CD2 4.14Å; L174-Y188 HydrophobicContact CG-CD2 4.42Å; L174-Y188 PolarHBondContact N-O 2.96Å; L174-Y188 PolarHBondContact O-N 3Å; L174-Y188 VanDerWaalsContact O-N 3.11Å; Y188-L209 HydrophobicContact CD1-CB 3.94Å; Y188-L209 HydrophobicContact CD2-CB 4.35Å; Y188-L209 HydrophobicContact CD2-CD1 4.12Å; Y188-L209 HydrophobicContact CD2-CD2 4.27Å; Y188-L209 HydrophobicContact CD2-CG 4.5Å; Y188-L209 HydrophobicContact CE1-CB 4.14Å; Y188-L209 HydrophobicContact CE2-CD1 4.33Å; Y188-L209 HydrophobicContact CG-CB 4.06Å; Y188-L209 HydrophobicContact CG-CD2 3.96Å; Y188-L209 HydrophobicContact CG-CG 4.4Å; Y188-N211 HydrophobicContact CE1-CB 4.03Å; Y188-S224 WeakPolarHBondContact OH-CB 3.26Å; Y188-S224 PolarHBondContact OH-OG 3.21Å |
| 189 | T | 81.2 | Confident | 71.6 | Confident | 73 Ų | 73 | 58.4 Ų | 58.4 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.6 | 171.9 | 51.6 | 0 | 0 | 0 | 0 | 107.5 | W135 V171 L172 | W135-T189 HydrophobicContact CH2-CG2 3.89Å; W135-T189 HydrophobicContact CZ3-CG2 4.04Å; V171-T189 HydrophobicContact CG1-CG2 4.4Å; L172-T189 CarbonylContact O-C 3.59Å; L172-T189 WeakPolarHBondContact O-CA 3.39Å |
| 190 | I | 80.7 | Confident | 73.2 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 139.5 | 172.7 | -54.1 | 178.7 | 0 | 0 | 0 | 107.8 | L172 V194 I195 F207 I227 I229 | L172-I190 HydrophobicContact CB-CB 4.23Å; L172-I190 HydrophobicContact CB-CD1 4.11Å; L172-I190 HydrophobicContact CB-CG1 4.37Å; L172-I190 HydrophobicContact CD1-CD1 4.35Å; L172-I190 HydrophobicContact CD2-CD1 3.35Å; L172-I190 HydrophobicContact CD2-CG1 3.93Å; L172-I190 HydrophobicContact CG-CD1 4.14Å; L172-I190 PolarHBondContact O-N 2.94Å; I190-V194 HydrophobicContact CG2-CB 4.03Å; I190-V194 HydrophobicContact CG2-CG1 3.82Å; I190-I195 HydrophobicContact CB-CD1 4.24Å; I190-I195 HydrophobicContact CG2-CD1 4.28Å; I190-I195 HydrophobicContact CG2-CG1 4.06Å; I190-F207 HydrophobicContact CB-CD1 4.49Å; I190-F207 HydrophobicContact CD1-CD1 4.33Å; I190-F207 HydrophobicContact CG1-CD1 3.81Å; I190-F207 HydrophobicContact CG1-CE1 4.05Å; I190-F207 HydrophobicContact CG1-CG 4.4Å; I190-F207 HydrophobicContact CG2-CD1 4.32Å; I190-F207 HydrophobicContact CG2-CD2 4.28Å; I190-F207 HydrophobicContact CG2-CG 4.17Å; I190-I227 HydrophobicContact CD1-CB 4.46Å; I190-I227 HydrophobicContact CD1-CD1 4.01Å; I190-I227 HydrophobicContact CD1-CG1 4.34Å; I190-I227 HydrophobicContact CD1-CG2 3.4Å; I190-I227 HydrophobicContact CG1-CG2 4.18Å; I190-I229 HydrophobicContact CD1-CD1 3.64Å |
| 191 | N | 77.4 | Confident | 74.9 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | trans | -69.2 | 150.8 | -176.8 | -156.4 | 4.1 | 0 | 0 | 0 | 112.3 | E193 V194 I195 | N191-E193 PolarHBondContact ND2-OE2 3.46Å; N191-E193 PolarHBondContact O-N 2.85Å; N191-E193 PolarHBondContact OD1-OE2 3.21Å; N191-V194 HydrophobicContact CB-CG2 4.46Å; N191-V194 WeakPolarHBondContact O-CB 3.17Å; N191-V194 PolarHBondContact O-N 2.86Å; N191-I195 PolarHBondContact O-N 3.41Å | ||
| 192 | R | 84.2 | Confident | 76.1 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | -174.9 | -67.2 | -179.3 | -66.1 | 177.9 | 0.4 | 112.5 | Y168 L170 V171 V194 I195 S196 | Y168-R192 HydrophobicContact CD2-CB 4.37Å; Y168-R192 HydrophobicContact CE2-CB 4.23Å; Y168-R192 VanDerWaalsContact O-CB 3.31Å; Y168-R192 WeakPolarHBondContact O-CB 3.41Å; Y168-R192 VanDerWaalsContact O-CD 3.3Å; Y168-R192 WeakPolarHBondContact O-CD 3.34Å; L170-R192 WeakPolarHBondContact O-CA 3.17Å; L170-R192 WeakPolarHBondContact O-CG 3.24Å; V171-R192 HydrophobicContact CG2-CG 3.56Å; R192-V194 PolarHBondContact O-N 2.89Å; R192-I195 PolarHBondContact O-N 2.86Å; R192-S196 WeakPolarHBondContact O-CB 3.3Å; R192-S196 PolarHBondContact O-N 2.74Å |
| 193 | E | 83.6 | Confident | 77.3 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 38% | 0.379 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56 | -40.5 | 176.7 | -65.5 | 69.1 | -163.6 | 0 | 0 | 111.2 | Y168 N191 F197 | Y168-E193 HydrophobicContact CE2-CB 4.47Å; Y168-E193 HydrophobicContact CE2-CG 3.79Å; Y168-E193 WeakPolarHBondContact CE2-OE1 3.46Å; Y168-E193 PolarHBondContact OH-OE1 3.27Å; N191-E193 PolarHBondContact ND2-OE2 3.46Å; N191-E193 PolarHBondContact O-N 2.85Å; N191-E193 PolarHBondContact OD1-OE2 3.21Å; E193-F197 WeakPolarHBondContact O-CB 3.27Å; E193-F197 PolarHBondContact O-N 3.46Å |
| 194 | V | 81.5 | Confident | 78.7 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.5 | -43.8 | -176.3 | 167.9 | 0 | 0 | 0 | 0 | 110.9 | I190 N191 R192 A198 F205 | I190-V194 HydrophobicContact CG2-CB 4.03Å; I190-V194 HydrophobicContact CG2-CG1 3.82Å; N191-V194 HydrophobicContact CB-CG2 4.46Å; N191-V194 WeakPolarHBondContact O-CB 3.17Å; N191-V194 PolarHBondContact O-N 2.86Å; R192-V194 PolarHBondContact O-N 2.89Å; V194-A198 WeakPolarHBondContact O-CB 3.45Å; V194-A198 PolarHBondContact O-N 2.94Å; V194-F205 HydrophobicContact CB-CE1 4.31Å; V194-F205 HydrophobicContact CB-CZ 4.34Å; V194-F205 HydrophobicContact CG1-CD1 3.36Å; V194-F205 HydrophobicContact CG1-CD2 4.27Å; V194-F205 HydrophobicContact CG1-CE1 3.15Å; V194-F205 HydrophobicContact CG1-CE2 4.08Å; V194-F205 HydrophobicContact CG1-CG 3.94Å; V194-F205 HydrophobicContact CG1-CZ 3.54Å; V194-F205 HydrophobicContact CG2-CE1 4.23Å; V194-F205 HydrophobicContact CG2-CZ 4Å |
| 195 | I | 84.4 | Confident | 80.1 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.1 | -45.9 | -178.7 | -63 | 162.7 | 0 | 0 | 0 | 109.8 | L170 L172 I190 N191 R192 F197 A198 I199 | L170-I195 HydrophobicContact CB-CB 4.49Å; L170-I195 HydrophobicContact CB-CG2 3.83Å; L170-I195 HydrophobicContact CD1-CG2 4.07Å; L170-I195 WeakPolarHBondContact O-CD1 3.42Å; L172-I195 HydrophobicContact CB-CD1 3.45Å; L172-I195 VanDerWaalsContact CB-CD1 3.45Å; L172-I195 HydrophobicContact CB-CG1 4.41Å; L172-I195 VanDerWaalsContact N-CD1 3.3Å; I190-I195 HydrophobicContact CB-CD1 4.24Å; I190-I195 HydrophobicContact CG2-CD1 4.28Å; I190-I195 HydrophobicContact CG2-CG1 4.06Å; N191-I195 PolarHBondContact O-N 3.41Å; R192-I195 PolarHBondContact O-N 2.86Å; I195-F197 VanDerWaalsContact C-N 3.32Å; I195-F197 PolarHBondContact O-N 3.32Å; I195-A198 PolarHBondContact O-N 2.84Å; I195-I199 HydrophobicContact CG2-CD1 3.77Å; I195-I199 HydrophobicContact CG2-CG1 4.44Å; I195-I199 VanDerWaalsContact O-CG1 3.27Å; I195-I199 WeakPolarHBondContact O-CG1 3.5Å; I195-I199 PolarHBondContact O-N 2.88Å |
| 196 | S | 86 | Confident | 81.5 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.5 | -48.9 | 174.8 | -156.8 | 0 | 0 | 0 | 0 | 111 | H167 Y168 R192 A198 I199 E200 | H167-S196 WeakPolarHBondContact CB-OG 3.36Å; Y168-S196 PolarHBondContact N-OG 3.02Å; R192-S196 WeakPolarHBondContact O-CB 3.3Å; R192-S196 PolarHBondContact O-N 2.74Å; S196-A198 PolarHBondContact O-N 3.02Å; S196-I199 PolarHBondContact O-N 2.92Å; S196-E200 WeakPolarHBondContact O-CB 3.27Å; S196-E200 VanDerWaalsContact O-CG 3.32Å; S196-E200 WeakPolarHBondContact O-CG 3.18Å; S196-E200 PolarHBondContact O-N 3.24Å; S196-E200 PolarHBondContact OG-OE1 3.26Å |
| 197 | F | 84.6 | Confident | 82.7 | Confident | 92 Ų | 92 | 60.2 Ų | 60.2 | 40% | 0.404 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 178.7 | -174.9 | -92.5 | 0 | 0 | 0 | 112.7 | E193 I195 I199 E200 K201 | E193-F197 WeakPolarHBondContact O-CB 3.27Å; E193-F197 PolarHBondContact O-N 3.46Å; I195-F197 VanDerWaalsContact C-N 3.32Å; I195-F197 PolarHBondContact O-N 3.32Å; F197-I199 VanDerWaalsContact C-N 3.3Å; F197-I199 PolarHBondContact O-N 2.84Å; F197-E200 PolarHBondContact O-N 3.06Å; F197-K201 HydrophobicContact CD1-CG 4.1Å; F197-K201 HydrophobicContact CD2-CG 4.03Å; F197-K201 HydrophobicContact CE1-CB 4.37Å; F197-K201 HydrophobicContact CE1-CG 3.77Å; F197-K201 HydrophobicContact CE2-CD 4.32Å; F197-K201 HydrophobicContact CE2-CG 3.71Å; F197-K201 HydrophobicContact CG-CG 4.23Å; F197-K201 HydrophobicContact CZ-CD 4.37Å; F197-K201 HydrophobicContact CZ-CG 3.58Å; F197-K201 WeakPolarHBondContact O-CB 3.48Å; F197-K201 WeakPolarHBondContact O-CG 3.32Å; F197-K201 PolarHBondContact O-N 3.17Å |
| 198 | A | 84.8 | Confident | 83.8 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V194 I195 S196 Y202 F205 T231 | V194-A198 WeakPolarHBondContact O-CB 3.45Å; V194-A198 PolarHBondContact O-N 2.94Å; I195-A198 PolarHBondContact O-N 2.84Å; S196-A198 PolarHBondContact O-N 3.02Å; A198-Y202 PolarHBondContact O-N 3.2Å; A198-Y202 VanDerWaalsContact O-N 3.11Å; A198-F205 HydrophobicContact CB-CB 4.07Å; A198-T231 PolarHBondContact O-OG1 3.21Å |
| 199 | I | 86.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.4 | -48.9 | 178.6 | -68.9 | 170.3 | 0 | 0 | 0 | 110.7 | V102 F104 H167 L170 I195 S196 F197 K201 Y202 T231 I233 | V102-I199 HydrophobicContact CG1-CD1 4.09Å; V102-I199 HydrophobicContact CG1-CG1 3.89Å; V102-I199 HydrophobicContact CG1-CG2 4.16Å; V102-I199 HydrophobicContact CG2-CG2 4.23Å; F104-I199 HydrophobicContact CE1-CD1 4.28Å; F104-I199 HydrophobicContact CE1-CG1 4.49Å; F104-I199 HydrophobicContact CZ-CD1 4.08Å; H167-I199 HydrophobicContact CB-CD1 4.33Å; H167-I199 WeakPolarHBondContact ND1-CG2 3.35Å; L170-I199 HydrophobicContact CD1-CD1 3.62Å; I195-I199 HydrophobicContact CG2-CD1 3.77Å; I195-I199 HydrophobicContact CG2-CG1 4.44Å; I195-I199 VanDerWaalsContact O-CG1 3.27Å; I195-I199 WeakPolarHBondContact O-CG1 3.5Å; I195-I199 PolarHBondContact O-N 2.88Å; S196-I199 PolarHBondContact O-N 2.92Å; F197-I199 VanDerWaalsContact C-N 3.3Å; F197-I199 PolarHBondContact O-N 2.84Å; I199-K201 PolarHBondContact O-N 3.2Å; I199-Y202 WeakPolarHBondContact O-CD1 3.38Å; I199-Y202 VanDerWaalsContact O-CE1 3.29Å; I199-Y202 WeakPolarHBondContact O-CE1 3.33Å; I199-Y202 PolarHBondContact O-N 3.48Å; I199-T231 WeakPolarHBondContact CA-OG1 3.48Å; I199-T231 HydrophobicContact CG1-CG2 3.85Å; I199-T231 PolarHBondContact N-OG1 2.93Å; I199-I233 HydrophobicContact CG2-CD1 3.62Å; I199-I233 HydrophobicContact CG2-CG1 3.8Å |
| 200 | E | 84.3 | Confident | 84.4 | Confident | 104 Ų | 104 | 62.1 Ų | 62.1 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.3 | -31.7 | -177.3 | -72.3 | 165.7 | -145.1 | 0 | 0 | 114 | S196 F197 | S196-E200 WeakPolarHBondContact O-CB 3.27Å; S196-E200 VanDerWaalsContact O-CG 3.32Å; S196-E200 WeakPolarHBondContact O-CG 3.18Å; S196-E200 PolarHBondContact O-N 3.24Å; S196-E200 PolarHBondContact OG-OE1 3.26Å; F197-E200 PolarHBondContact O-N 3.06Å |
| 201 | K | 83.9 | Confident | 84.5 | Confident | 111 Ų | 111 | 63.3 Ų | 63.3 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -91.8 | -10.6 | -179.7 | -63.2 | -57.7 | -177.5 | -171.9 | 0 | 114 | F197 I199 E203 | F197-K201 HydrophobicContact CD1-CG 4.1Å; F197-K201 HydrophobicContact CD2-CG 4.03Å; F197-K201 HydrophobicContact CE1-CB 4.37Å; F197-K201 HydrophobicContact CE1-CG 3.77Å; F197-K201 HydrophobicContact CE2-CD 4.32Å; F197-K201 HydrophobicContact CE2-CG 3.71Å; F197-K201 HydrophobicContact CG-CG 4.23Å; F197-K201 HydrophobicContact CZ-CD 4.37Å; F197-K201 HydrophobicContact CZ-CG 3.58Å; F197-K201 WeakPolarHBondContact O-CB 3.48Å; F197-K201 WeakPolarHBondContact O-CG 3.32Å; F197-K201 PolarHBondContact O-N 3.17Å; I199-K201 PolarHBondContact O-N 3.2Å; K201-E203 HydrophobicContact CB-CB 4.23Å; K201-E203 HydrophobicContact CB-CG 4.08Å; K201-E203 PolarHBondContact O-N 3.37Å |
| 202 | Y | 76 | Confident | 84.7 | Confident | 124 Ų | 124 | 61.5 Ų | 61.5 | 49% | 0.486 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 28.7 | -175.2 | -45.7 | -58.7 | 0 | 0 | 0 | 113.3 | A198 I199 T231 I233 | A198-Y202 PolarHBondContact O-N 3.2Å; A198-Y202 VanDerWaalsContact O-N 3.11Å; I199-Y202 WeakPolarHBondContact O-CD1 3.38Å; I199-Y202 VanDerWaalsContact O-CE1 3.29Å; I199-Y202 WeakPolarHBondContact O-CE1 3.33Å; I199-Y202 PolarHBondContact O-N 3.48Å; Y202-T231 WeakPolarHBondContact CA-O 3.43Å; Y202-I233 HydrophobicContact CD1-CG1 4.48Å; Y202-I233 HydrophobicContact CE1-CB 3.53Å; Y202-I233 HydrophobicContact CE1-CD1 3.75Å; Y202-I233 HydrophobicContact CE1-CG1 3.6Å; Y202-I233 VanDerWaalsContact CE1-N 3.32Å |
| 203 | E | 78.2 | Confident | 84.5 | Confident | 113 Ų | 113 | 64.1 Ų | 64.1 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -101.6 | 158 | -172.4 | -80.4 | -177 | 179 | 0 | 0 | 112.4 | K201 F205 | K201-E203 HydrophobicContact CB-CB 4.23Å; K201-E203 HydrophobicContact CB-CG 4.08Å; K201-E203 PolarHBondContact O-N 3.37Å; E203-F205 PolarHBondContact O-N 2.83Å |
| 204 | L | 86.3 | Confident | 84.5 | Confident | 103 Ų | 103 | 62.8 Ų | 62.8 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 116.4 | 168.6 | -177.8 | 149.7 | 0 | 0 | 0 | 108.7 | V206 I228 I229 | L204-V206 HydrophobicContact CD2-CG2 3.69Å; L204-I228 HydrophobicContact CD1-CG2 4.04Å; L204-I228 HydrophobicContact CD2-CG2 3.82Å; L204-I228 HydrophobicContact CG-CG2 3.88Å; L204-I229 WeakPolarHBondContact CA-O 3.43Å |
| 205 | F | 87.9 | Confident | 84.6 | Confident | 58 Ų | 58 | 68 Ų | 68 | 25% | 0.254 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.1 | 177.3 | -161.8 | -87 | 0 | 0 | 0 | 111.3 | V194 A198 E203 F207 I228 I229 | V194-F205 HydrophobicContact CB-CE1 4.31Å; V194-F205 HydrophobicContact CB-CZ 4.34Å; V194-F205 HydrophobicContact CG1-CD1 3.36Å; V194-F205 HydrophobicContact CG1-CD2 4.27Å; V194-F205 HydrophobicContact CG1-CE1 3.15Å; V194-F205 HydrophobicContact CG1-CE2 4.08Å; V194-F205 HydrophobicContact CG1-CG 3.94Å; V194-F205 HydrophobicContact CG1-CZ 3.54Å; V194-F205 HydrophobicContact CG2-CE1 4.23Å; V194-F205 HydrophobicContact CG2-CZ 4Å; A198-F205 HydrophobicContact CB-CB 4.07Å; E203-F205 PolarHBondContact O-N 2.83Å; F205-F207 HydrophobicContact CD1-CB 4.08Å; F205-F207 HydrophobicContact CE1-CB 3.86Å; F205-F207 HydrophobicContact CE1-CD2 4.22Å; F205-I228 CarbonylContact O-C 3.59Å; F205-I228 VanDerWaalsContact O-CA 3.28Å; F205-I228 WeakPolarHBondContact O-CA 3.31Å; F205-I229 PolarHBondContact N-O 2.82Å; F205-I229 PolarHBondContact O-N 2.82Å |
| 206 | V | 90.5 | Very high | 84.6 | Confident | 72 Ų | 72 | 78.9 Ų | 78.9 | 44% | 0.436 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 115.9 | 173.9 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | L204 K226 I227 I228 | L204-V206 HydrophobicContact CD2-CG2 3.69Å; V206-K226 HydrophobicContact CG1-CB 4.2Å; V206-K226 HydrophobicContact CG1-CD 3.97Å; V206-K226 HydrophobicContact CG1-CG 4.41Å; V206-I227 WeakPolarHBondContact CA-O 3.14Å; V206-I228 HydrophobicContact CG1-CG1 4.21Å; V206-I228 HydrophobicContact CG2-CG1 4.17Å; V206-I228 HydrophobicContact CG2-CG2 4.39Å |
| 207 | F | 88.6 | Confident | 84.7 | Confident | 51 Ų | 51 | 86.5 Ų | 86.5 | 22% | 0.224 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.4 | 178.9 | -177.5 | -99 | 0 | 0 | 0 | 111 | I190 F205 L209 K226 I227 | I190-F207 HydrophobicContact CB-CD1 4.49Å; I190-F207 HydrophobicContact CD1-CD1 4.33Å; I190-F207 HydrophobicContact CG1-CD1 3.81Å; I190-F207 HydrophobicContact CG1-CE1 4.05Å; I190-F207 HydrophobicContact CG1-CG 4.4Å; I190-F207 HydrophobicContact CG2-CD1 4.32Å; I190-F207 HydrophobicContact CG2-CD2 4.28Å; I190-F207 HydrophobicContact CG2-CG 4.17Å; F205-F207 HydrophobicContact CD1-CB 4.08Å; F205-F207 HydrophobicContact CE1-CB 3.86Å; F205-F207 HydrophobicContact CE1-CD2 4.22Å; F207-L209 HydrophobicContact CD1-CD2 4.17Å; F207-L209 HydrophobicContact CE1-CD2 4.4Å; F207-K226 CarbonylContact O-C 3.58Å; F207-K226 WeakPolarHBondContact O-CA 3.4Å; F207-K226 WeakPolarHBondContact O-CB 3.5Å; F207-I227 HydrophobicContact CB-CG2 3.68Å; F207-I227 HydrophobicContact CD1-CG2 3.9Å; F207-I227 HydrophobicContact CG-CG2 4.28Å; F207-I227 PolarHBondContact N-O 3.41Å; F207-I227 PolarHBondContact O-N 3.18Å |
| 208 | Q | 90.5 | Very high | 84.7 | Confident | 106 Ų | 106 | 88 Ų | 88 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.1 | 175.4 | -64.5 | -172.7 | 55.4 | 0 | 0 | 110.6 | I210 N223 | Q208-I210 HydrophobicContact CB-CD1 4.39Å; Q208-I210 PolarHBondContact O-N 3.06Å; Q208-N223 HydrophobicContact CB-CB 4.17Å; Q208-N223 PolarHBondContact OE1-ND2 3.48Å; Q208-N223 VanDerWaalsContact OE1-ND2 3.16Å |
| 209 | L | 88.8 | Confident | 84.7 | Confident | 1 Ų | 1 | 93.2 Ų | 93.2 | 1% | 0.005 | 45% | 0.452 | C | S | . | . | trans | -82.1 | 114.7 | -180 | -59 | 172.8 | 0 | 0 | 0 | 110 | L111 L174 Y188 F207 Y221 S224 G225 I227 | L111-L209 HydrophobicContact CD2-CD1 3.25Å; L174-L209 HydrophobicContact CD2-CD1 3.53Å; L174-L209 HydrophobicContact CD2-CD2 4.27Å; Y188-L209 HydrophobicContact CD1-CB 3.94Å; Y188-L209 HydrophobicContact CD2-CB 4.35Å; Y188-L209 HydrophobicContact CD2-CD1 4.12Å; Y188-L209 HydrophobicContact CD2-CD2 4.27Å; Y188-L209 HydrophobicContact CD2-CG 4.5Å; Y188-L209 HydrophobicContact CE1-CB 4.14Å; Y188-L209 HydrophobicContact CE2-CD1 4.33Å; Y188-L209 HydrophobicContact CG-CB 4.06Å; Y188-L209 HydrophobicContact CG-CD2 3.96Å; Y188-L209 HydrophobicContact CG-CG 4.4Å; F207-L209 HydrophobicContact CD1-CD2 4.17Å; F207-L209 HydrophobicContact CE1-CD2 4.4Å; L209-Y221 PolarHBondContact O-OH 3.43Å; L209-S224 WeakPolarHBondContact O-CB 3.23Å; L209-S224 PolarHBondContact O-N 2.81Å; L209-G225 WeakPolarHBondContact CB-O 3.37Å; L209-G225 PolarHBondContact N-O 3.49Å; L209-I227 HydrophobicContact CD2-CB 4.41Å; L209-I227 HydrophobicContact CD2-CG2 3.94Å | ||
| 210 | I | 84.8 | Confident | 84.7 | Confident | 75 Ų | 75 | 101 Ų | 101 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | trans | -107.1 | 114.2 | -177.2 | -56.2 | -57.6 | 0 | 0 | 0 | 110.7 | Q208 G212 K215 Y221 E222 N223 | Q208-I210 HydrophobicContact CB-CD1 4.39Å; Q208-I210 PolarHBondContact O-N 3.06Å; I210-G212 PolarHBondContact O-N 2.97Å; I210-K215 HydrophobicContact CG2-CD 4.03Å; I210-Y221 HydrophobicContact CG2-CE1 4.4Å; I210-E222 WeakPolarHBondContact CD1-O 3.39Å; I210-N223 HydrophobicContact CD1-CB 4.08Å | ||
| 211 | N | 82.1 | Confident | 84.9 | Confident | 29 Ų | 29 | 97.7 Ų | 97.7 | 16% | 0.155 | 48% | 0.475 | C | S | . | . | trans | -85.2 | 106.4 | 168.3 | -174.4 | -50.6 | 0 | 0 | 0 | 109.9 | Y188 Q213 K214 K215 Y221 S224 | Y188-N211 HydrophobicContact CE1-CB 4.03Å; N211-Q213 VanDerWaalsContact C-N 3.26Å; N211-Q213 PolarHBondContact O-N 2.76Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.03Å; N211-Q213 PolarHBondContact OD1-N 3.13Å; N211-K214 HydrophobicContact CB-CB 3.99Å; N211-K214 HydrophobicContact CB-CD 4.13Å; N211-K214 HydrophobicContact CB-CG 4.11Å; N211-K214 PolarHBondContact O-N 2.78Å; N211-K214 PolarHBondContact OD1-N 2.86Å; N211-K215 PolarHBondContact O-N 2.78Å; N211-Y221 PolarHBondContact N-OH 3.11Å; N211-S224 WeakPolarHBondContact CB-OG 3.5Å | ||
| 212 | G | 80.3 | Confident | 85.1 | Confident | 47 Ų | 47 | 99.9 Ų | 99.9 | 49% | 0.485 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57 | -35.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | I210 R216 | I210-G212 PolarHBondContact O-N 2.97Å; G212-R216 WeakPolarHBondContact O-CG 3.34Å; G212-R216 PolarHBondContact O-N 2.79Å |
| 213 | Q | 81.5 | Confident | 85.9 | Confident | 138 Ų | 138 | 96.3 Ų | 96.3 | 65% | 0.645 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -71.8 | -41.7 | 177.3 | -65.3 | -169.9 | -3.2 | 0 | 0 | 112.4 | N211 R216 K217 | N211-Q213 VanDerWaalsContact C-N 3.26Å; N211-Q213 PolarHBondContact O-N 2.76Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.03Å; N211-Q213 PolarHBondContact OD1-N 3.13Å; Q213-R216 PolarHBondContact O-N 2.6Å; Q213-K217 WeakPolarHBondContact O-CG 3.28Å; Q213-K217 PolarHBondContact O-N 3.01Å; Q213-K217 VanDerWaalsContact O-N 3.15Å |
| 214 | K | 82 | Confident | 86.5 | Confident | 52 Ų | 52 | 91 Ų | 91 | 23% | 0.226 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 176.5 | -73.3 | -175.2 | 171.3 | -177.4 | 0 | 111.4 | D112 N211 R216 K217 K218 Y221 | D112-K214 IonicContact OD1-NZ 2.99Å; D112-K214 PolarHBondContact OD1-NZ 2.85Å; D112-K214 IonicContact OD2-NZ 2.6Å; D112-K214 PolarHBondContact OD2-NZ 3.19Å; N211-K214 HydrophobicContact CB-CB 3.99Å; N211-K214 HydrophobicContact CB-CD 4.13Å; N211-K214 HydrophobicContact CB-CG 4.11Å; N211-K214 PolarHBondContact O-N 2.78Å; N211-K214 PolarHBondContact OD1-N 2.86Å; K214-R216 PolarHBondContact O-N 3.44Å; K214-K217 PolarHBondContact O-N 3.09Å; K214-K218 PolarHBondContact O-N 3.35Å; K214-Y221 HydrophobicContact CB-CD2 3.82Å; K214-Y221 HydrophobicContact CB-CE2 3.77Å; K214-Y221 HydrophobicContact CB-CG 4.34Å; K214-Y221 HydrophobicContact CD-CD2 4.42Å; K214-Y221 HydrophobicContact CD-CE2 4Å |
| 215 | K | 83.7 | Confident | 86.8 | Confident | 136 Ų | 136 | 86.1 Ų | 86.1 | 59% | 0.591 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -57.9 | -35.1 | 176.8 | -170.1 | 172.8 | -178.7 | 176.5 | 0 | 112.4 | I210 N211 Y221 | I210-K215 HydrophobicContact CG2-CD 4.03Å; N211-K215 PolarHBondContact O-N 2.78Å; K215-Y221 HydrophobicContact CB-CD1 3.65Å; K215-Y221 HydrophobicContact CB-CE1 3.86Å; K215-Y221 HydrophobicContact CG-CD1 4.02Å; K215-Y221 HydrophobicContact CG-CE1 4.43Å |
| 216 | R | 86.3 | Confident | 87 | Confident | 233 Ų | 233 | 86.4 Ų | 86.4 | 88% | 0.879 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -76.6 | -27 | 175.1 | -70.4 | 178.9 | 72.9 | -168.9 | 3.3 | 114.1 | G212 Q213 K214 | G212-R216 WeakPolarHBondContact O-CG 3.34Å; G212-R216 PolarHBondContact O-N 2.79Å; Q213-R216 PolarHBondContact O-N 2.6Å; K214-R216 PolarHBondContact O-N 3.44Å |
| 217 | K | 87.7 | Confident | 87.1 | Confident | 169 Ų | 169 | 83 Ų | 83 | 74% | 0.735 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -96.8 | -25.9 | -174 | -71.8 | -179.3 | -178.8 | -179.1 | 0 | 114.3 | Q213 K214 | Q213-K217 WeakPolarHBondContact O-CG 3.28Å; Q213-K217 PolarHBondContact O-N 3.01Å; Q213-K217 VanDerWaalsContact O-N 3.15Å; K214-K217 PolarHBondContact O-N 3.09Å |
| 218 | K | 84.8 | Confident | 87.3 | Confident | 124 Ų | 124 | 80.9 Ų | 80.9 | 54% | 0.539 | 40% | 0.398 | S | S | . | . | trans | -118.1 | 120.6 | -174.5 | -68.7 | -173.1 | 176.1 | -168.1 | 0 | 110 | K214 I220 | K214-K218 PolarHBondContact O-N 3.35Å; K218-I220 VanDerWaalsContact C-N 3.34Å; K218-I220 PolarHBondContact O-N 3.22Å | ||
| 219 | A | 83.8 | Confident | 87.4 | Confident | 112 Ų | 112 | 76 Ų | 76 | 93% | 0.926 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -38 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y221 | A219-Y221 PolarHBondContact O-N 2.74Š|
| 220 | I | 87.3 | Confident | 87.6 | Confident | 162 Ų | 162 | 81.8 Ų | 81.8 | 83% | 0.831 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 60.4 | -179.6 | -48.9 | 170.4 | 0 | 0 | 0 | 109.3 | K218 | K218-I220 VanDerWaalsContact C-N 3.34Å; K218-I220 PolarHBondContact O-N 3.22Å |
| 221 | Y | 88 | Confident | 87.9 | Confident | 35 Ų | 35 | 78.3 Ų | 78.3 | 14% | 0.137 | 38% | 0.383 | C | S | . | . | trans | -113.3 | 122.1 | 175.3 | 170.2 | -90.6 | 0 | 0 | 0 | 110.3 | L209 I210 N211 K214 K215 A219 N223 S224 | L209-Y221 PolarHBondContact O-OH 3.43Å; I210-Y221 HydrophobicContact CG2-CE1 4.4Å; N211-Y221 PolarHBondContact N-OH 3.11Å; K214-Y221 HydrophobicContact CB-CD2 3.82Å; K214-Y221 HydrophobicContact CB-CE2 3.77Å; K214-Y221 HydrophobicContact CB-CG 4.34Å; K214-Y221 HydrophobicContact CD-CD2 4.42Å; K214-Y221 HydrophobicContact CD-CE2 4Å; K215-Y221 HydrophobicContact CB-CD1 3.65Å; K215-Y221 HydrophobicContact CB-CE1 3.86Å; K215-Y221 HydrophobicContact CG-CD1 4.02Å; K215-Y221 HydrophobicContact CG-CE1 4.43Å; A219-Y221 PolarHBondContact O-N 2.74Å; Y221-N223 WeakPolarHBondContact CE2-O 3.43Å; Y221-N223 WeakPolarHBondContact OH-CA 3.36Å; Y221-S224 PolarHBondContact OH-N 3.21Å; Y221-S224 VanDerWaalsContact OH-N 3.16Å; Y221-S224 PolarHBondContact OH-OG 3.14Å | ||
| 222 | E | 87.9 | Confident | 88.3 | Confident | 157 Ų | 157 | 79.4 Ų | 79.4 | 73% | 0.734 | 39% | 0.393 | S | S | * | . | trans | -96.2 | -68.1 | 177.4 | -64.4 | -178.7 | 176.9 | 0 | 0 | 110.8 | I210 | I210-E222 WeakPolarHBondContact CD1-O 3.39Š| ||
| 223 | N | 92 | Very high | 88.7 | Confident | 50 Ų | 50 | 78.5 Ų | 78.5 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | trans | -152.3 | 179.3 | 178.4 | 63.9 | 64.4 | 0 | 0 | 0 | 111.3 | Q208 I210 Y221 G225 | Q208-N223 HydrophobicContact CB-CB 4.17Å; Q208-N223 PolarHBondContact OE1-ND2 3.48Å; Q208-N223 VanDerWaalsContact OE1-ND2 3.16Å; I210-N223 HydrophobicContact CD1-CB 4.08Å; Y221-N223 WeakPolarHBondContact CE2-O 3.43Å; Y221-N223 WeakPolarHBondContact OH-CA 3.36Å; N223-G225 WeakPolarHBondContact OD1-CA 3.49Å; N223-G225 PolarHBondContact OD1-N 2.85Å; N223-G225 PolarHBondContact OD1-O 3.5Å | ||
| 224 | S | 91 | Very high | 88.9 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.007 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -112.4 | 29.5 | 177.9 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | D112 Y188 L209 N211 Y221 | D112-S224 PolarHBondContact N-O 3.26Å; D112-S224 WeakPolarHBondContact OD2-CB 3.24Å; D112-S224 PolarHBondContact OD2-OG 3.41Å; Y188-S224 WeakPolarHBondContact OH-CB 3.26Å; Y188-S224 PolarHBondContact OH-OG 3.21Å; L209-S224 WeakPolarHBondContact O-CB 3.23Å; L209-S224 PolarHBondContact O-N 2.81Å; N211-S224 WeakPolarHBondContact CB-OG 3.5Å; Y221-S224 PolarHBondContact OH-N 3.21Å; Y221-S224 VanDerWaalsContact OH-N 3.16Å; Y221-S224 PolarHBondContact OH-OG 3.14Å |
| 225 | G | 92.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | trans | 103.9 | -177.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E109 D110 L209 N223 | E109-G225 CarbonylContact O-C 3.6Å; E109-G225 WeakPolarHBondContact O-CA 3.36Å; D110-G225 WeakPolarHBondContact O-CA 3.3Å; D110-G225 PolarHBondContact O-N 3.2Å; L209-G225 WeakPolarHBondContact CB-O 3.37Å; L209-G225 PolarHBondContact N-O 3.49Å; N223-G225 WeakPolarHBondContact OD1-CA 3.49Å; N223-G225 PolarHBondContact OD1-N 2.85Å; N223-G225 PolarHBondContact OD1-O 3.5Å | ||
| 226 | K | 93 | Very high | 89.4 | Confident | 63 Ų | 63 | 73.2 Ų | 73.2 | 27% | 0.274 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 152.7 | 177.3 | 62.2 | -170.7 | 175.8 | -177.4 | 0 | 111 | A108 E109 V206 F207 | A108-K226 CarbonylContact C-O 3.54Å; A108-K226 WeakPolarHBondContact CA-O 3.49Å; A108-K226 WeakPolarHBondContact CB-O 3.29Å; E109-K226 HydrophobicContact CB-CD 4.39Å; E109-K226 VanDerWaalsContact CB-CE 3.44Å; E109-K226 HydrophobicContact CB-CG 3.88Å; E109-K226 VanDerWaalsContact CD-CE 3.42Å; E109-K226 PolarHBondContact N-O 2.61Å; E109-K226 PolarHBondContact O-N 2.88Å; E109-K226 WeakPolarHBondContact OE2-CE 3.21Å; E109-K226 IonicContact OE2-NZ 3.09Å; E109-K226 PolarHBondContact OE2-NZ 2.93Å; V206-K226 HydrophobicContact CG1-CB 4.2Å; V206-K226 HydrophobicContact CG1-CD 3.97Å; V206-K226 HydrophobicContact CG1-CG 4.41Å; F207-K226 CarbonylContact O-C 3.58Å; F207-K226 WeakPolarHBondContact O-CA 3.4Å; F207-K226 WeakPolarHBondContact O-CB 3.5Å |
| 227 | I | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.7 | 174.2 | -176 | 156.4 | 0 | 0 | 0 | 109.1 | I106 L124 W152 L172 I190 V206 F207 L209 I229 | I106-I227 HydrophobicContact CG2-CD1 3.83Å; I106-I227 HydrophobicContact CG2-CG1 3.93Å; L124-I227 HydrophobicContact CD1-CD1 3.37Å; W152-I227 HydrophobicContact CZ3-CD1 4.46Å; L172-I227 HydrophobicContact CD2-CD1 3.74Å; I190-I227 HydrophobicContact CD1-CB 4.46Å; I190-I227 HydrophobicContact CD1-CD1 4.01Å; I190-I227 HydrophobicContact CD1-CG1 4.34Å; I190-I227 HydrophobicContact CD1-CG2 3.4Å; I190-I227 HydrophobicContact CG1-CG2 4.18Å; V206-I227 WeakPolarHBondContact CA-O 3.14Å; F207-I227 HydrophobicContact CB-CG2 3.68Å; F207-I227 HydrophobicContact CD1-CG2 3.9Å; F207-I227 HydrophobicContact CG-CG2 4.28Å; F207-I227 PolarHBondContact N-O 3.41Å; F207-I227 PolarHBondContact O-N 3.18Å; L209-I227 HydrophobicContact CD2-CB 4.41Å; L209-I227 HydrophobicContact CD2-CG2 3.94Å; I227-I229 HydrophobicContact CG1-CD1 4.44Å; I227-I229 HydrophobicContact CG1-CG1 4.12Å |
| 228 | I | 93.5 | Very high | 89.9 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.1 | -172.7 | -55.8 | 170.6 | 0 | 0 | 0 | 106.2 | I106 R107 E109 L204 F205 V206 | I106-I228 WeakPolarHBondContact CA-O 3.2Å; R107-I228 HydrophobicContact CG-CB 3.84Å; R107-I228 HydrophobicContact CG-CD1 4.34Å; R107-I228 HydrophobicContact CG-CG2 4.39Å; R107-I228 VanDerWaalsContact CZ-CD1 3.49Å; R107-I228 PolarHBondContact N-O 2.77Å; R107-I228 PolarHBondContact O-N 3.46Å; E109-I228 HydrophobicContact CG-CD1 4.08Å; E109-I228 VanDerWaalsContact OE1-CD1 3.31Å; E109-I228 WeakPolarHBondContact OE1-CD1 3.31Å; L204-I228 HydrophobicContact CD1-CG2 4.04Å; L204-I228 HydrophobicContact CD2-CG2 3.82Å; L204-I228 HydrophobicContact CG-CG2 3.88Å; F205-I228 CarbonylContact O-C 3.59Å; F205-I228 VanDerWaalsContact O-CA 3.28Å; F205-I228 WeakPolarHBondContact O-CA 3.31Å; V206-I228 HydrophobicContact CG1-CG1 4.21Å; V206-I228 HydrophobicContact CG2-CG1 4.17Å; V206-I228 HydrophobicContact CG2-CG2 4.39Å |
| 229 | I | 92.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.5 | -174.2 | -59.4 | 168.8 | 0 | 0 | 0 | 107.2 | I106 L172 I190 L204 F205 I227 T231 | I106-I229 HydrophobicContact CG1-CG1 4.34Å; I106-I229 HydrophobicContact CG1-CG2 4.3Å; I106-I229 HydrophobicContact CG2-CG1 4.09Å; L172-I229 HydrophobicContact CD1-CD1 3.91Å; I190-I229 HydrophobicContact CD1-CD1 3.64Å; L204-I229 WeakPolarHBondContact CA-O 3.43Å; F205-I229 PolarHBondContact N-O 2.82Å; F205-I229 PolarHBondContact O-N 2.82Å; I227-I229 HydrophobicContact CG1-CD1 4.44Å; I227-I229 HydrophobicContact CG1-CG1 4.12Å; I229-T231 HydrophobicContact CG2-CG2 3.94Å |
| 230 | K | 92.1 | Very high | 90.7 | Very high | 122 Ų | 122 | 51.3 Ų | 51.3 | 53% | 0.53 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.3 | 167.5 | 179.6 | 179.7 | 180 | -179.4 | 0 | 108.1 | N105 | N105-K230 HydrophobicContact CB-CB 4.35Å; N105-K230 PolarHBondContact N-O 3.01Å; N105-K230 PolarHBondContact O-N 2.79Å |
| 231 | T | 91.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 150.7 | -178.5 | 36.8 | 0 | 0 | 0 | 0 | 111.6 | V102 S103 F104 A198 I199 Y202 I229 | V102-T231 HydrophobicContact CG1-CG2 4.22Å; S103-T231 VanDerWaalsContact O-CA 3.23Å; S103-T231 WeakPolarHBondContact O-CA 3.39Å; F104-T231 HydrophobicContact CD1-CG2 3.44Å; F104-T231 VanDerWaalsContact CD1-CG2 3.44Å; F104-T231 HydrophobicContact CE1-CG2 3.55Å; F104-T231 HydrophobicContact CG-CG2 4.24Å; F104-T231 HydrophobicContact CZ-CG2 4.43Å; A198-T231 PolarHBondContact O-OG1 3.21Å; I199-T231 WeakPolarHBondContact CA-OG1 3.48Å; I199-T231 HydrophobicContact CG1-CG2 3.85Å; I199-T231 PolarHBondContact N-OG1 2.93Å; Y202-T231 WeakPolarHBondContact CA-O 3.43Å; I229-T231 HydrophobicContact CG2-CG2 3.94Å |
| 232 | S | 90.3 | Very high | 91.4 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 139.7 | 168.2 | 58 | 0 | 0 | 0 | 0 | 109.4 | S103 | S103-S232 WeakPolarHBondContact CB-OG 3.42Å; S103-S232 PolarHBondContact N-O 2.77Å; S103-S232 PolarHBondContact O-N 2.54Å; S103-S232 VanDerWaalsContact O-N 3.09Å |
| 233 | I | 88.7 | Confident | 91.7 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 136.1 | 169 | -59.1 | 166.9 | 0 | 0 | 0 | 108.4 | E100 E101 V102 I199 Y202 | E100-I233 HydrophobicContact CB-CG2 3.77Å; E100-I233 HydrophobicContact CG-CG2 3.87Å; E101-I233 WeakPolarHBondContact O-CA 3.46Å; V102-I233 HydrophobicContact CG2-CG1 4.31Å; I199-I233 HydrophobicContact CG2-CD1 3.62Å; I199-I233 HydrophobicContact CG2-CG1 3.8Å; Y202-I233 HydrophobicContact CD1-CG1 4.48Å; Y202-I233 HydrophobicContact CE1-CB 3.53Å; Y202-I233 HydrophobicContact CE1-CD1 3.75Å; Y202-I233 HydrophobicContact CE1-CG1 3.6Å; Y202-I233 VanDerWaalsContact CE1-N 3.32Å |
| 234 | T | 87.2 | Confident | 91.7 | Very high | 63 Ų | 63 | 43.2 Ų | 43.2 | 39% | 0.387 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.1 | 169.2 | 50.5 | 0 | 0 | 0 | 0 | 109 | E100 E101 | E100-T234 WeakPolarHBondContact CA-O 3.34Å; E101-T234 PolarHBondContact N-O 2.78Å; E101-T234 PolarHBondContact O-N 3.07Å |
| 235 | V | 87.3 | Confident | 91.8 | Very high | 101 Ų | 101 | 43.6 Ų | 43.6 | 61% | 0.612 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 122.7 | 165.1 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | K99 E100 | K99-V235 HydrophobicContact CB-CG1 3.95Å; E100-V235 HydrophobicContact CG-CG2 4.32Å |
| 236 | V | 87.6 | Confident | 91.9 | Very high | 51 Ų | 51 | 44.6 Ų | 44.6 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -97 | 122.6 | 178.5 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | K99 E101 | K99-V236 PolarHBondContact O-N 2.86Å; E101-V236 HydrophobicContact CB-CG2 3.87Å; E101-V236 HydrophobicContact CG-CG2 3.56Å |
| 237 | D | 92.8 | Very high | 91.9 | Very high | 29 Ų | 29 | 41.9 Ų | 41.9 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 131.7 | 173.5 | -71.7 | -55.4 | 0 | 0 | 0 | 110.2 | D241 Y242 L475 T484 S485 | D237-D241 HydrophobicContact CB-CB 4.2Å; D237-Y242 HydrophobicContact CB-CD2 4.03Å; D237-Y242 HydrophobicContact CB-CE2 3.3Å; D237-L475 VanDerWaalsContact O-CD2 3.24Å; D237-L475 WeakPolarHBondContact O-CD2 3.3Å; D237-T484 WeakPolarHBondContact OD2-CA 3.49Å; D237-S485 VanDerWaalsContact CG-CB 3.46Å; D237-S485 WeakPolarHBondContact OD1-CB 3.41Å; D237-S485 PolarHBondContact OD1-OG 2.98Å; D237-S485 PolarHBondContact OD2-N 3.19Å; D237-S485 PolarHBondContact OD2-OG 3.01Å |
| 238 | S | 92.5 | Very high | 91.9 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -79.4 | 161.5 | 170.8 | 68.7 | 0 | 0 | 0 | 0 | 110.7 | L240 D241 Y242 | S238-L240 PolarHBondContact O-N 3.22Å; S238-L240 VanDerWaalsContact O-N 3.17Å; S238-D241 WeakPolarHBondContact CB-OD2 3.4Å; S238-D241 PolarHBondContact N-OD2 3.14Å; S238-D241 WeakPolarHBondContact O-CB 3.36Å; S238-D241 PolarHBondContact O-N 3.16Å; S238-D241 PolarHBondContact OG-N 3.13Å; S238-D241 PolarHBondContact OG-OD2 3.17Å; S238-Y242 VanDerWaalsContact O-CD2 3.3Å; S238-Y242 WeakPolarHBondContact O-CD2 3.4Å; S238-Y242 PolarHBondContact O-N 2.62Å |
| 239 | F | 93.8 | Very high | 91.9 | Very high | 25 Ų | 25 | 45.3 Ų | 45.3 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -49 | -43.8 | 173 | 169.8 | -102.2 | 0 | 0 | 0 | 112.3 | D241 Y242 V243 L249 Y295 P471 F474 | F239-D241 VanDerWaalsContact C-N 3.29Å; F239-D241 PolarHBondContact O-N 2.91Å; F239-Y242 PolarHBondContact O-N 3.36Å; F239-V243 HydrophobicContact CD1-CG2 4.23Å; F239-V243 HydrophobicContact CE1-CG2 3.86Å; F239-V243 HydrophobicContact CE2-CG2 4.28Å; F239-V243 HydrophobicContact CZ-CG2 3.92Å; F239-V243 WeakPolarHBondContact O-CG2 3.44Å; F239-V243 PolarHBondContact O-N 2.79Å; F239-V243 VanDerWaalsContact O-N 3.1Å; F239-L249 HydrophobicContact CE2-CD1 4.06Å; F239-L249 HydrophobicContact CE2-CD2 4.31Å; F239-L249 HydrophobicContact CZ-CD1 3.56Å; F239-Y295 HydrophobicContact CE1-CE1 4.44Å; F239-P471 HydrophobicContact CB-CB 3.94Å; F239-P471 HydrophobicContact CD1-CB 4.48Å; F239-P471 HydrophobicContact CD2-CB 4.29Å; F239-P471 HydrophobicContact CG-CB 4.01Å; F239-P471 HydrophobicContact CG-CG 4.46Å; F239-F474 HydrophobicContact CD2-CB 4.08Å; F239-F474 AromaticContact CD2-CD1 3.78Å; F239-F474 HydrophobicContact CD2-CD1 3.78Å; F239-F474 HydrophobicContact CD2-CD2 4.24Å; F239-F474 HydrophobicContact CD2-CE1 4.27Å; F239-F474 AromaticContact CD2-CG 3.78Å; F239-F474 HydrophobicContact CD2-CG 3.78Å; F239-F474 HydrophobicContact CE2-CB 4.35Å; F239-F474 HydrophobicContact CE2-CD1 4.46Å; F239-F474 HydrophobicContact CE2-CD2 4.12Å; F239-F474 HydrophobicContact CE2-CG 4.07Å |
| 240 | L | 92.1 | Very high | 91.9 | Very high | 85 Ų | 85 | 45.4 Ų | 45.4 | 45% | 0.445 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.6 | -26.5 | 178.6 | -65.8 | -179.8 | 0 | 0 | 0 | 113.4 | S238 Y242 V243 K244 | S238-L240 PolarHBondContact O-N 3.22Å; S238-L240 VanDerWaalsContact O-N 3.17Å; L240-Y242 VanDerWaalsContact C-N 3.33Å; L240-V243 PolarHBondContact O-N 2.86Å; L240-K244 VanDerWaalsContact O-CB 3.29Å; L240-K244 WeakPolarHBondContact O-CB 3.41Å; L240-K244 WeakPolarHBondContact O-CG 3.39Å; L240-K244 PolarHBondContact O-N 3.25Å |
| 241 | D | 94.1 | Very high | 92 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.5 | -36.8 | 176.2 | -64.5 | -49.2 | 0 | 0 | 0 | 111.4 | K99 D237 S238 F239 A245 | K99-D241 WeakPolarHBondContact CE-OD2 3.41Å; K99-D241 IonicContact NZ-OD1 3.25Å; K99-D241 PolarHBondContact NZ-OD1 3.39Å; K99-D241 IonicContact NZ-OD2 4Å; K99-D241 PolarHBondContact NZ-OD2 2.79Å; D237-D241 HydrophobicContact CB-CB 4.2Å; S238-D241 WeakPolarHBondContact CB-OD2 3.4Å; S238-D241 PolarHBondContact N-OD2 3.14Å; S238-D241 WeakPolarHBondContact O-CB 3.36Å; S238-D241 PolarHBondContact O-N 3.16Å; S238-D241 PolarHBondContact OG-N 3.13Å; S238-D241 PolarHBondContact OG-OD2 3.17Å; F239-D241 VanDerWaalsContact C-N 3.29Å; F239-D241 PolarHBondContact O-N 2.91Å; D241-A245 WeakPolarHBondContact O-CB 3.34Å; D241-A245 PolarHBondContact O-N 3.24Å |
| 242 | Y | 95.8 | Very high | 92.1 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.2 | -43.1 | 173.9 | -67.7 | -88.3 | 0 | 0 | 0 | 112 | D237 S238 F239 L240 K244 A245 G246 T247 F474 L475 M478 I483 T484 V488 | D237-Y242 HydrophobicContact CB-CD2 4.03Å; D237-Y242 HydrophobicContact CB-CE2 3.3Å; S238-Y242 VanDerWaalsContact O-CD2 3.3Å; S238-Y242 WeakPolarHBondContact O-CD2 3.4Å; S238-Y242 PolarHBondContact O-N 2.62Å; F239-Y242 PolarHBondContact O-N 3.36Å; L240-Y242 VanDerWaalsContact C-N 3.33Å; Y242-K244 VanDerWaalsContact C-N 3.31Å; Y242-K244 PolarHBondContact O-N 3.22Å; Y242-A245 CarbonylContact O-C 3.51Å; Y242-A245 WeakPolarHBondContact O-CA 3.09Å; Y242-A245 WeakPolarHBondContact O-CB 3.32Å; Y242-A245 PolarHBondContact O-N 3.23Å; Y242-A245 VanDerWaalsContact O-N 3.09Å; Y242-G246 PolarHBondContact O-N 3.41Å; Y242-T247 PolarHBondContact O-N 3.11Å; Y242-F474 HydrophobicContact CD1-CE1 4.26Å; Y242-F474 HydrophobicContact CD1-CZ 4.45Å; Y242-F474 AromaticContact CD2-CE1 3.64Å; Y242-F474 HydrophobicContact CD2-CE1 3.64Å; Y242-F474 HydrophobicContact CD2-CZ 4.44Å; Y242-F474 HydrophobicContact CE2-CE1 4.36Å; Y242-F474 AromaticContact CG-CE1 3.57Å; Y242-F474 HydrophobicContact CG-CE1 3.57Å; Y242-F474 AromaticContact CG-CZ 3.94Å; Y242-F474 HydrophobicContact CG-CZ 3.94Å; Y242-L475 HydrophobicContact CD2-CD2 3.97Å; Y242-L475 HydrophobicContact CE2-CD2 3.6Å; Y242-M478 HydrophobicContact CD1-CE 4.04Å; Y242-M478 HydrophobicContact CD1-CG 4.11Å; Y242-M478 HydrophobicContact CD1-SD 4.25Å; Y242-M478 HydrophobicContact CE1-CB 3.98Å; Y242-M478 HydrophobicContact CE1-CE 4.42Å; Y242-M478 HydrophobicContact CE1-CG 3.72Å; Y242-M478 HydrophobicContact CE1-SD 4.03Å; Y242-M478 HydrophobicContact CE2-CB 4.36Å; Y242-M478 HydrophobicContact CE2-CG 4.28Å; Y242-I483 HydrophobicContact CE1-CG2 4.34Å; Y242-I483 PolarHBondContact OH-O 3.28Å; Y242-T484 VanDerWaalsContact CE1-C 3.46Å; Y242-V488 HydrophobicContact CD1-CG2 4.1Å |
| 243 | V | 92.8 | Very high | 92.3 | Very high | 36 Ų | 36 | 37.4 Ų | 37.4 | 22% | 0.218 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.7 | -47.1 | 173.4 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | F239 L240 A245 G246 Y295 | F239-V243 HydrophobicContact CD1-CG2 4.23Å; F239-V243 HydrophobicContact CE1-CG2 3.86Å; F239-V243 HydrophobicContact CE2-CG2 4.28Å; F239-V243 HydrophobicContact CZ-CG2 3.92Å; F239-V243 WeakPolarHBondContact O-CG2 3.44Å; F239-V243 PolarHBondContact O-N 2.79Å; F239-V243 VanDerWaalsContact O-N 3.1Å; L240-V243 PolarHBondContact O-N 2.86Å; V243-A245 VanDerWaalsContact C-N 3.33Å; V243-A245 PolarHBondContact O-N 3.23Å; V243-G246 PolarHBondContact O-N 3.1Å; V243-G246 VanDerWaalsContact O-N 3.07Å; V243-Y295 HydrophobicContact CG1-CD1 4.07Å; V243-Y295 HydrophobicContact CG2-CD1 4.41Å |
| 244 | K | 92.6 | Very high | 92.7 | Very high | 169 Ų | 169 | 36.1 Ų | 36.1 | 74% | 0.735 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -67.5 | -30.4 | 176 | -72.2 | 173.2 | -177.6 | 176.2 | 0 | 113.2 | L240 Y242 G246 | L240-K244 VanDerWaalsContact O-CB 3.29Å; L240-K244 WeakPolarHBondContact O-CB 3.41Å; L240-K244 WeakPolarHBondContact O-CG 3.39Å; L240-K244 PolarHBondContact O-N 3.25Å; Y242-K244 VanDerWaalsContact C-N 3.31Å; Y242-K244 PolarHBondContact O-N 3.22Å; K244-G246 PolarHBondContact O-N 3.21Å |
| 245 | A | 93.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 7% | 0.066 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.3 | -17.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D241 Y242 V243 S485 V488 R489 N492 | D241-A245 WeakPolarHBondContact O-CB 3.34Å; D241-A245 PolarHBondContact O-N 3.24Å; Y242-A245 CarbonylContact O-C 3.51Å; Y242-A245 WeakPolarHBondContact O-CA 3.09Å; Y242-A245 WeakPolarHBondContact O-CB 3.32Å; Y242-A245 PolarHBondContact O-N 3.23Å; Y242-A245 VanDerWaalsContact O-N 3.09Å; V243-A245 VanDerWaalsContact C-N 3.33Å; V243-A245 PolarHBondContact O-N 3.23Å; A245-S485 VanDerWaalsContact CB-O 3.24Å; A245-S485 WeakPolarHBondContact CB-O 3.27Å; A245-V488 HydrophobicContact CB-CB 3.94Å; A245-V488 HydrophobicContact CB-CG1 3.88Å; A245-R489 HydrophobicContact CB-CG 3.59Å; A245-N492 PolarHBondContact O-ND2 2.99Å |
| 246 | G | 92.9 | Very high | 93.6 | Very high | 23 Ų | 23 | 28.3 Ų | 28.3 | 24% | 0.237 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.8 | 27.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y242 V243 K244 H248 N492 | Y242-G246 PolarHBondContact O-N 3.41Å; V243-G246 PolarHBondContact O-N 3.1Å; V243-G246 VanDerWaalsContact O-N 3.07Å; K244-G246 PolarHBondContact O-N 3.21Å; G246-H248 PolarHBondContact O-CD2 3.08Å; G246-H248 PolarHBondContact O-N 3.23Å; G246-N492 WeakPolarHBondContact CA-ND2 3.24Å; G246-N492 PolarHBondContact O-ND2 3.37Å; G246-N492 VanDerWaalsContact O-ND2 3.11Å |
| 247 | T | 94.4 | Very high | 94 | Very high | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 125.4 | 163.5 | -62.3 | 0 | 0 | 0 | 0 | 109.2 | Y242 G369 S370 F474 M478 | Y242-T247 PolarHBondContact O-N 3.11Å; T247-G369 WeakPolarHBondContact CB-O 3.21Å; T247-G369 WeakPolarHBondContact CG2-O 3.24Å; T247-G369 PolarHBondContact OG1-O 3.43Å; T247-S370 WeakPolarHBondContact CA-O 3.28Å; T247-F474 HydrophobicContact CG2-CE2 3.62Å; T247-F474 HydrophobicContact CG2-CZ 3.72Å; T247-M478 HydrophobicContact CG2-CE 4.05Å |
| 248 | H | 91.8 | Very high | 94.1 | Very high | 70 Ų | 70 | 24.7 Ų | 24.7 | 32% | 0.324 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.3 | 180 | -64.9 | -92.8 | 0 | 0 | 0 | 110.9 | G246 S297 S370 K371 Y372 | G246-H248 PolarHBondContact O-CD2 3.08Å; G246-H248 PolarHBondContact O-N 3.23Å; H248-S297 PolarHBondContact CE1-OG 2.92Å; H248-S297 VanDerWaalsContact CE1-OG 3.29Å; H248-S297 VanDerWaalsContact ND1-CB 3.31Å; H248-S297 WeakPolarHBondContact ND1-CB 3.32Å; H248-S297 PolarHBondContact ND1-OG 3.07Å; H248-S370 PolarHBondContact CD2-O 3.2Å; H248-S370 PolarHBondContact N-O 2.9Å; H248-K371 HydrophobicContact CB-CG 4.23Å; H248-K371 CarbonylContact O-C 3.55Å; H248-K371 WeakPolarHBondContact O-CA 3.39Å; H248-Y372 PolarHBondContact O-N 2.89Å |
| 249 | L | 93 | Very high | 94.2 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 130.4 | 169.2 | -55.6 | -174.5 | 0 | 0 | 0 | 109.2 | F239 Y295 D296 Y372 F474 | F239-L249 HydrophobicContact CE2-CD1 4.06Å; F239-L249 HydrophobicContact CE2-CD2 4.31Å; F239-L249 HydrophobicContact CZ-CD1 3.56Å; L249-Y295 HydrophobicContact CD1-CD1 4.42Å; L249-Y295 HydrophobicContact CD1-CG 4.04Å; L249-D296 WeakPolarHBondContact O-CA 3.29Å; L249-Y372 WeakPolarHBondContact CA-O 3.36Å; L249-F474 HydrophobicContact CD2-CD2 4.15Å; L249-F474 HydrophobicContact CD2-CE2 3.96Å |
| 250 | S | 92.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 28 Ų | 28 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 114.1 | 180 | -169.2 | 0 | 0 | 0 | 0 | 109.9 | K371 Y372 F373 I374 | S250-K371 WeakPolarHBondContact OG-CE 3.33Å; S250-Y372 PolarHBondContact N-O 3.28Å; S250-F373 CarbonylContact O-C 3.54Å; S250-F373 WeakPolarHBondContact O-CA 3.04Å; S250-I374 PolarHBondContact O-N 3.31Å |
| 251 | C | 93.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.014 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 125.6 | -177.6 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | F253 V292 F301 P302 I374 | C251-F253 HydrophobicContact CB-CE2 4.5Å; C251-V292 HydrophobicContact CB-CB 4.37Å; C251-V292 HydrophobicContact CB-CG2 3.75Å; C251-F301 HydrophobicContact CB-CD1 4.14Å; C251-F301 HydrophobicContact CB-CE1 4.27Å; C251-F301 WeakPolarHBondContact O-CD1 3.39Å; C251-P302 WeakPolarHBondContact O-CD 3.45Å; C251-I374 CarbonylContact C-O 3.56Å; C251-I374 WeakPolarHBondContact CA-O 3.45Å |
| 252 | A | 94.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 5% | 0.05 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 142.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P302 V359 I374 L375 L376 | A252-P302 WeakPolarHBondContact CA-O 3.41Å; A252-P302 HydrophobicContact CB-CB 4.05Å; A252-P302 HydrophobicContact CB-CG 4.34Å; A252-V359 HydrophobicContact CB-CG2 4.39Å; A252-I374 PolarHBondContact N-O 3.19Å; A252-L375 HydrophobicContact CB-CD1 4.1Å; A252-L376 PolarHBondContact O-N 3.3Å |
| 253 | F | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.3 | -179.2 | -63.5 | -95.4 | 0 | 0 | 0 | 109.7 | C251 I285 F301 P302 V303 L304 I330 V333 L376 | C251-F253 HydrophobicContact CB-CE2 4.5Å; F253-I285 HydrophobicContact CD1-CG1 4.13Å; F253-I285 HydrophobicContact CD1-CG2 4.29Å; F253-I285 HydrophobicContact CE1-CB 4.5Å; F253-I285 HydrophobicContact CE1-CG2 4.1Å; F253-F301 HydrophobicContact CD2-CB 4.06Å; F253-F301 HydrophobicContact CE2-CB 3.82Å; F253-F301 AromaticContact CE2-CD1 3.71Å; F253-F301 HydrophobicContact CE2-CD1 3.71Å; F253-F301 AromaticContact CE2-CG 3.94Å; F253-F301 HydrophobicContact CE2-CG 3.94Å; F253-P302 PolarHBondContact N-O 2.6Å; F253-V303 CarbonylContact O-C 3.57Å; F253-V303 WeakPolarHBondContact O-CA 3.48Å; F253-L304 PolarHBondContact O-N 3.24Å; F253-I330 HydrophobicContact CE2-CD1 4.37Å; F253-I330 HydrophobicContact CZ-CD1 4.01Å; F253-V333 HydrophobicContact CB-CG1 4.3Å; F253-V333 HydrophobicContact CD1-CG1 4.29Å; F253-V333 HydrophobicContact CD2-CG1 4.05Å; F253-V333 HydrophobicContact CD2-CG2 4.03Å; F253-V333 HydrophobicContact CE2-CG1 4.49Å; F253-V333 HydrophobicContact CE2-CG2 4.07Å; F253-V333 HydrophobicContact CG-CG1 3.95Å; F253-L376 HydrophobicContact CD1-CB 4.43Å; F253-L376 HydrophobicContact CD1-CD2 3.72Å; F253-L376 HydrophobicContact CE1-CD2 3.77Å |
| 254 | A | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L304 F306 I355 L375 L376 I377 I378 | A254-L304 CarbonylContact C-O 3.06Å; A254-L304 WeakPolarHBondContact CA-O 3.26Å; A254-F306 HydrophobicContact CB-CD1 4.21Å; A254-F306 HydrophobicContact CB-CE1 3.99Å; A254-I355 HydrophobicContact CB-CD1 4.48Å; A254-I355 HydrophobicContact CB-CG1 3.74Å; A254-L375 HydrophobicContact CB-CD1 3.8Å; A254-L376 PolarHBondContact N-O 3.28Å; A254-I377 HydrophobicContact CB-CG1 4.13Å; A254-I377 WeakPolarHBondContact O-CA 3.46Å; A254-I378 PolarHBondContact O-N 3.42Å |
| 255 | I | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.5 | -175.1 | -59.4 | 173.2 | 0 | 0 | 0 | 109 | F257 Y281 I285 V303 L304 G305 F306 Y337 | I255-F257 HydrophobicContact CB-CD2 4.35Å; I255-F257 HydrophobicContact CB-CE2 3.77Å; I255-F257 HydrophobicContact CB-CZ 4.09Å; I255-F257 HydrophobicContact CG2-CD1 4.43Å; I255-F257 HydrophobicContact CG2-CD2 4.13Å; I255-F257 HydrophobicContact CG2-CE1 4.02Å; I255-F257 HydrophobicContact CG2-CE2 3.69Å; I255-F257 HydrophobicContact CG2-CG 4.49Å; I255-F257 HydrophobicContact CG2-CZ 3.64Å; I255-F257 VanDerWaalsContact O-CD2 3.24Å; I255-F257 WeakPolarHBondContact O-CD2 3.35Å; I255-F257 PolarHBondContact O-N 3.23Å; I255-Y281 HydrophobicContact CG2-CD1 3.78Å; I255-Y281 HydrophobicContact CG2-CE1 4.03Å; I255-I285 HydrophobicContact CD1-CD1 3.94Å; I255-V303 HydrophobicContact CD1-CG1 3.97Å; I255-L304 PolarHBondContact N-O 3.34Å; I255-G305 WeakPolarHBondContact O-CA 3.35Å; I255-F306 VanDerWaalsContact C-CE1 3.42Å; I255-F306 WeakPolarHBondContact O-CD1 3.31Å; I255-F306 PolarHBondContact O-N 2.89Å; I255-Y337 HydrophobicContact CD1-CD2 3.61Å; I255-Y337 HydrophobicContact CD1-CE2 4.49Å; I255-Y337 HydrophobicContact CD1-CG 3.77Å; I255-Y337 HydrophobicContact CG2-CD2 3.88Å; I255-Y337 HydrophobicContact CG2-CE2 3.82Å |
| 256 | D | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 119.1 | 171.5 | -169.8 | -17.4 | 0 | 0 | 0 | 110.1 | T258 H271 Y281 F306 I378 T379 | D256-T258 WeakPolarHBondContact OD1-CB 3.48Å; D256-T258 WeakPolarHBondContact OD1-CG2 3.24Å; D256-T258 PolarHBondContact OD1-N 2.8Å; D256-T258 PolarHBondContact OD1-OG1 3.03Å; D256-T258 PolarHBondContact OD2-OG1 3.34Å; D256-H271 PolarHBondContact O-CE1 3.1Å; D256-H271 PolarHBondContact O-NE2 3.5Å; D256-Y281 HydrophobicContact CB-CE1 4.11Å; D256-F306 VanDerWaalsContact CA-CZ 3.45Å; D256-F306 HydrophobicContact CB-CD2 4.4Å; D256-F306 HydrophobicContact CB-CE1 4.1Å; D256-F306 HydrophobicContact CB-CE2 3.53Å; D256-F306 HydrophobicContact CB-CZ 3.37Å; D256-F306 VanDerWaalsContact N-CE1 3.35Å; D256-I378 WeakPolarHBondContact CB-O 3.46Å; D256-I378 PolarHBondContact N-O 3.37Å; D256-T379 WeakPolarHBondContact OD2-CA 3.11Å; D256-T379 VanDerWaalsContact OD2-CB 3.28Å; D256-T379 WeakPolarHBondContact OD2-CB 3.39Å; D256-T379 PolarHBondContact OD2-OG1 3.47Å |
| 257 | F | 96 | Very high | 94.6 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | trans | -112.1 | 31.8 | 174.5 | -69 | -76.8 | 0 | 0 | 0 | 111.1 | I255 F306 G307 A308 F320 Y337 C340 L341 I344 L346 A347 | I255-F257 HydrophobicContact CB-CD2 4.35Å; I255-F257 HydrophobicContact CB-CE2 3.77Å; I255-F257 HydrophobicContact CB-CZ 4.09Å; I255-F257 HydrophobicContact CG2-CD1 4.43Å; I255-F257 HydrophobicContact CG2-CD2 4.13Å; I255-F257 HydrophobicContact CG2-CE1 4.02Å; I255-F257 HydrophobicContact CG2-CE2 3.69Å; I255-F257 HydrophobicContact CG2-CG 4.49Å; I255-F257 HydrophobicContact CG2-CZ 3.64Å; I255-F257 VanDerWaalsContact O-CD2 3.24Å; I255-F257 WeakPolarHBondContact O-CD2 3.35Å; I255-F257 PolarHBondContact O-N 3.23Å; F257-F306 PolarHBondContact N-O 3.5Å; F257-G307 CarbonylContact C-O 3.5Å; F257-A308 HydrophobicContact CB-CB 3.83Å; F257-F320 AromaticContact CD2-CZ 3.75Å; F257-F320 HydrophobicContact CD2-CZ 3.75Å; F257-F320 HydrophobicContact CE2-CE2 4.49Å; F257-F320 HydrophobicContact CE2-CZ 4.14Å; F257-Y337 AromaticContact CE1-CD2 3.85Å; F257-Y337 HydrophobicContact CE1-CD2 3.85Å; F257-Y337 AromaticContact CE1-CE2 3.78Å; F257-Y337 HydrophobicContact CE1-CE2 3.78Å; F257-Y337 AromaticContact CZ-CD2 3.78Å; F257-Y337 HydrophobicContact CZ-CD2 3.78Å; F257-Y337 HydrophobicContact CZ-CE2 4.15Å; F257-C340 HydrophobicContact CZ-CB 3.95Å; F257-C340 VanDerWaalsContact CZ-SG 3.57Å; F257-L341 HydrophobicContact CD1-CD1 3.74Å; F257-L341 HydrophobicContact CE1-CB 4.15Å; F257-L341 HydrophobicContact CE1-CD1 3.8Å; F257-I344 HydrophobicContact CB-CD1 4.05Å; F257-I344 HydrophobicContact CD1-CD1 3.97Å; F257-I344 HydrophobicContact CD1-CG1 4.37Å; F257-I344 HydrophobicContact CG-CD1 4.2Å; F257-L346 HydrophobicContact CB-CD2 3.92Å; F257-L346 HydrophobicContact CD1-CD2 4.23Å; F257-L346 WeakPolarHBondContact O-CA 3.44Å; F257-L346 WeakPolarHBondContact O-CB 3.49Å; F257-L346 WeakPolarHBondContact O-CD2 3.34Å; F257-A347 PolarHBondContact O-N 2.86Å | ||
| 258 | T | 95.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -73.6 | 155.7 | 178.7 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | D256 S260 N261 A347 D380 | D256-T258 WeakPolarHBondContact OD1-CB 3.48Å; D256-T258 WeakPolarHBondContact OD1-CG2 3.24Å; D256-T258 PolarHBondContact OD1-N 2.8Å; D256-T258 PolarHBondContact OD1-OG1 3.03Å; D256-T258 PolarHBondContact OD2-OG1 3.34Å; T258-S260 PolarHBondContact O-N 2.85Å; T258-S260 PolarHBondContact OG1-OG 3.33Å; T258-S260 VanDerWaalsContact OG1-OG 3.08Å; T258-N261 WeakPolarHBondContact O-CB 3.39Å; T258-N261 PolarHBondContact O-N 2.96Å; T258-N261 PolarHBondContact O-ND2 2.7Å; T258-N261 PolarHBondContact OG1-ND2 3.42Å; T258-A347 CarbonylContact C-O 3.26Å; T258-A347 WeakPolarHBondContact CA-O 3.13Å; T258-A347 VanDerWaalsContact CB-O 3.27Å; T258-A347 WeakPolarHBondContact CB-O 3.4Å; T258-D380 PolarHBondContact OG1-OD1 2.97Å |
| 259 | A | 94.4 | Very high | 94.8 | Very high | 59 Ų | 59 | 38.1 Ų | 38.1 | 49% | 0.488 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -65.6 | -19.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | N261 G262 L346 A347 | A259-N261 PolarHBondContact O-N 3.02Å; A259-G262 PolarHBondContact O-N 3.03Å; A259-G262 VanDerWaalsContact O-N 3.16Å; A259-L346 HydrophobicContact CB-CB 4.33Å; A259-A347 PolarHBondContact N-O 3.3Å |
| 260 | S | 94.6 | Very high | 94.9 | Very high | 74 Ų | 74 | 39.4 Ų | 39.4 | 52% | 0.517 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -62.1 | -26 | 175.1 | 44.3 | 0 | 0 | 0 | 0 | 112.6 | T258 G262 D380 | T258-S260 PolarHBondContact O-N 2.85Å; T258-S260 PolarHBondContact OG1-OG 3.33Å; T258-S260 VanDerWaalsContact OG1-OG 3.08Å; S260-G262 PolarHBondContact O-N 3.11Å; S260-D380 WeakPolarHBondContact CB-OD2 3.48Å; S260-D380 PolarHBondContact OG-OD1 3.4Å; S260-D380 VanDerWaalsContact OG-OD1 3.08Å; S260-D380 PolarHBondContact OG-OD2 3.22Å |
| 261 | N | 95 | Very high | 95.1 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -65 | -8.6 | 174.6 | -74 | -76.5 | 0 | 0 | 0 | 114.7 | T258 A259 S269 L270 H271 Y281 D380 | T258-N261 WeakPolarHBondContact O-CB 3.39Å; T258-N261 PolarHBondContact O-N 2.96Å; T258-N261 PolarHBondContact O-ND2 2.7Å; T258-N261 PolarHBondContact OG1-ND2 3.42Å; A259-N261 PolarHBondContact O-N 3.02Å; N261-S269 VanDerWaalsContact O-CA 3.26Å; N261-S269 WeakPolarHBondContact O-CA 3.2Å; N261-S269 WeakPolarHBondContact O-CB 3.48Å; N261-S269 PolarHBondContact O-OG 3.34Å; N261-L270 PolarHBondContact O-N 2.65Å; N261-L270 VanDerWaalsContact O-N 3.11Å; N261-L270 WeakPolarHBondContact OD1-CD1 3.44Å; N261-H271 WeakPolarHBondContact CB-CD2 3.45Å; N261-H271 WeakPolarHBondContact CB-NE2 3.26Å; N261-Y281 PolarHBondContact ND2-OH 2.77Å; N261-Y281 VanDerWaalsContact OD1-CE2 3.28Å; N261-Y281 WeakPolarHBondContact OD1-CE2 3.32Å; N261-Y281 PolarHBondContact OD1-OH 3.29Å; N261-D380 PolarHBondContact N-OD2 2.81Å; N261-D380 VanDerWaalsContact ND2-CG 3.27Å; N261-D380 PolarHBondContact ND2-OD1 3.48Å; N261-D380 WeakPolarHBondContact OD1-CB 3.39Å |
| 262 | G | 94 | Very high | 95.3 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 27% | 0.268 | 23% | 0.231 | S | C | . | . | trans | 75.1 | 167.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A259 S260 P264 S269 L346 | A259-G262 PolarHBondContact O-N 3.03Å; A259-G262 VanDerWaalsContact O-N 3.16Å; S260-G262 PolarHBondContact O-N 3.11Å; G262-P264 VanDerWaalsContact O-CD 3.28Å; G262-P264 WeakPolarHBondContact O-CD 3.19Å; G262-S269 PolarHBondContact O-OG 3.13Å; G262-S269 VanDerWaalsContact O-OG 3.1Å; G262-L346 WeakPolarHBondContact O-CD1 3.22Å | ||
| 263 | D | 94.5 | Very high | 95.3 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | trans | -63.6 | 116.3 | -178.7 | -177.5 | -13.8 | 0 | 0 | 0 | 111.1 | R265 K266 S269 | D263-R265 PolarHBondContact O-N 3.27Å; D263-R265 WeakPolarHBondContact OD1-CB 3.37Å; D263-R265 IonicContact OD1-CZ 3.88Å; D263-R265 PolarHBondContact OD1-N 3.33Å; D263-R265 IonicContact OD1-NE 2.68Å; D263-R265 PolarHBondContact OD1-NE 3.31Å; D263-R265 IonicContact OD1-NH2 3.5Å; D263-R265 IonicContact OD2-CZ 3.61Å; D263-R265 IonicContact OD2-NE 2.85Å; D263-R265 PolarHBondContact OD2-NE 3.44Å; D263-R265 IonicContact OD2-NH2 3.5Å; D263-R265 PolarHBondContact OD2-NH2 2.9Å; D263-K266 HydrophobicContact CB-CD 3.99Å; D263-K266 HydrophobicContact CB-CG 3.96Å; D263-K266 PolarHBondContact O-N 3.4Å; D263-S269 WeakPolarHBondContact O-CB 3.33Å | ||
| 264 | P | 95.3 | Very high | 95.2 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 21% | 0.208 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -14 | -175.1 | -23.5 | 34.2 | 0 | 0 | 0 | 114.9 | G262 K266 H271 Y272 L341 L346 | G262-P264 VanDerWaalsContact O-CD 3.28Å; G262-P264 WeakPolarHBondContact O-CD 3.19Å; P264-K266 VanDerWaalsContact C-N 3.28Å; P264-H271 HydrophobicContact CB-CB 4.05Å; P264-H271 HydrophobicContact CG-CB 4.15Å; P264-Y272 WeakPolarHBondContact O-CD2 3.29Å; P264-L341 HydrophobicContact CB-CD1 4.25Å; P264-L341 HydrophobicContact CB-CD2 3.9Å; P264-L341 HydrophobicContact CB-CG 4.13Å; P264-L341 HydrophobicContact CG-CD1 3.72Å; P264-L341 HydrophobicContact CG-CD2 4.3Å; P264-L341 HydrophobicContact CG-CG 4.09Å; P264-L346 HydrophobicContact CG-CD1 3.84Å; P264-L346 HydrophobicContact CG-CG 4.35Å |
| 265 | R | 94 | Very high | 94.9 | Very high | 206 Ų | 206 | 54.5 Ų | 54.5 | 78% | 0.777 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -12.6 | 175.7 | -60 | 169.8 | -65.8 | -174.9 | 3.2 | 112.6 | D263 | D263-R265 PolarHBondContact O-N 3.27Å; D263-R265 WeakPolarHBondContact OD1-CB 3.37Å; D263-R265 IonicContact OD1-CZ 3.88Å; D263-R265 PolarHBondContact OD1-N 3.33Å; D263-R265 IonicContact OD1-NE 2.68Å; D263-R265 PolarHBondContact OD1-NE 3.31Å; D263-R265 IonicContact OD1-NH2 3.5Å; D263-R265 IonicContact OD2-CZ 3.61Å; D263-R265 IonicContact OD2-NE 2.85Å; D263-R265 PolarHBondContact OD2-NE 3.44Å; D263-R265 IonicContact OD2-NH2 3.5Å; D263-R265 PolarHBondContact OD2-NH2 2.9Å |
| 266 | K | 95.9 | Very high | 94.6 | Very high | 101 Ų | 101 | 64.4 Ų | 64.4 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -106.9 | 140.3 | -176.7 | -52.2 | -176.4 | -176.5 | 175 | 0 | 110.5 | D263 P264 Q268 S269 Y272 | D263-K266 HydrophobicContact CB-CD 3.99Å; D263-K266 HydrophobicContact CB-CG 3.96Å; D263-K266 PolarHBondContact O-N 3.4Å; P264-K266 VanDerWaalsContact C-N 3.28Å; K266-Q268 PolarHBondContact O-N 3.4Å; K266-Q268 VanDerWaalsContact O-N 3.09Å; K266-S269 WeakPolarHBondContact O-CB 3.44Å; K266-S269 PolarHBondContact O-N 3.37Å; K266-Y272 WeakPolarHBondContact O-CD2 3.39Å |
| 267 | A | 93.9 | Very high | 94.3 | Very high | 74 Ų | 74 | 69.9 Ų | 69.9 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -22.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S269 Y272 | A267-S269 VanDerWaalsContact C-N 3.31Å; A267-Y272 HydrophobicContact CB-CD1 4.39Å; A267-Y272 HydrophobicContact CB-CE1 4.27Å |
| 268 | Q | 93.6 | Very high | 94.1 | Very high | 145 Ų | 145 | 73.1 Ų | 73.1 | 68% | 0.678 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -8.9 | 176.4 | 71.2 | -88.2 | 24.4 | 0 | 0 | 114.4 | K266 | K266-Q268 PolarHBondContact O-N 3.4Å; K266-Q268 VanDerWaalsContact O-N 3.09Å |
| 269 | S | 96.3 | Very high | 94 | Very high | 8 Ų | 8 | 73.4 Ų | 73.4 | 6% | 0.056 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -72.3 | 141.3 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | N261 G262 D263 K266 A267 H271 Y272 | N261-S269 VanDerWaalsContact O-CA 3.26Å; N261-S269 WeakPolarHBondContact O-CA 3.2Å; N261-S269 WeakPolarHBondContact O-CB 3.48Å; N261-S269 PolarHBondContact O-OG 3.34Å; G262-S269 PolarHBondContact O-OG 3.13Å; G262-S269 VanDerWaalsContact O-OG 3.1Å; D263-S269 WeakPolarHBondContact O-CB 3.33Å; K266-S269 WeakPolarHBondContact O-CB 3.44Å; K266-S269 PolarHBondContact O-N 3.37Å; A267-S269 VanDerWaalsContact C-N 3.31Å; S269-H271 PolarHBondContact O-N 2.98Å; S269-H271 PolarHBondContact OG-N 3.43Å; S269-H271 VanDerWaalsContact OG-N 3.07Å; S269-Y272 VanDerWaalsContact O-CB 3.31Å; S269-Y272 WeakPolarHBondContact O-CB 3.42Å; S269-Y272 PolarHBondContact O-N 2.88Å; S269-Y272 VanDerWaalsContact O-N 3.08Å |
| 270 | L | 96 | Very high | 94 | Very high | 36 Ų | 36 | 72 Ų | 72 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15.9 | 173 | -59.6 | 174.7 | 0 | 0 | 0 | 112.2 | N261 N279 P280 Y281 D380 V408 | N261-L270 PolarHBondContact O-N 2.65Å; N261-L270 VanDerWaalsContact O-N 3.11Å; N261-L270 WeakPolarHBondContact OD1-CD1 3.44Å; L270-N279 WeakPolarHBondContact O-CB 3.32Å; L270-P280 HydrophobicContact CD2-CG 4.16Å; L270-Y281 HydrophobicContact CB-CD2 4.38Å; L270-Y281 HydrophobicContact CB-CE2 3.93Å; L270-D380 HydrophobicContact CD1-CB 3.38Å; L270-V408 HydrophobicContact CD1-CG2 4.34Å |
| 271 | H | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 4.1 | 173.5 | -65.9 | -54.7 | 0 | 0 | 0 | 113.9 | D256 N261 P264 S269 F273 N279 Y281 Y337 L341 | D256-H271 PolarHBondContact O-CE1 3.1Å; D256-H271 PolarHBondContact O-NE2 3.5Å; N261-H271 WeakPolarHBondContact CB-CD2 3.45Å; N261-H271 WeakPolarHBondContact CB-NE2 3.26Å; P264-H271 HydrophobicContact CB-CB 4.05Å; P264-H271 HydrophobicContact CG-CB 4.15Å; S269-H271 PolarHBondContact O-N 2.98Å; S269-H271 PolarHBondContact OG-N 3.43Å; S269-H271 VanDerWaalsContact OG-N 3.07Å; H271-F273 WeakPolarHBondContact O-CD2 3.43Å; H271-F273 PolarHBondContact O-N 3.05Å; H271-N279 PolarHBondContact O-ND2 3.11Å; H271-Y281 AromaticContact CE1-CD1 4Å; H271-Y281 AromaticContact CE1-CD2 3.68Å; H271-Y281 AromaticContact CE1-CE1 3.75Å; H271-Y281 AromaticContact CE1-CE2 3.45Å; H271-Y281 VanDerWaalsContact CE1-CE2 3.45Å; H271-Y281 WeakPolarHBondContact CE1-CE2 3.36Å; H271-Y281 AromaticContact CE1-CG 3.96Å; H271-Y281 AromaticContact CE1-CZ 3.49Å; H271-Y281 VanDerWaalsContact CE1-CZ 3.49Å; H271-Y281 AromaticContact ND1-CD2 3.52Å; H271-Y281 AromaticContact ND1-CE2 3.68Å; H271-Y281 AromaticContact ND1-CG 3.89Å; H271-Y337 AromaticContact ND1-CE2 3.78Å; H271-Y337 AromaticContact ND1-CZ 3.71Å; H271-Y337 PolarHBondContact ND1-OH 3.11Å; H271-L341 HydrophobicContact CB-CD1 4.1Å; H271-L341 HydrophobicContact CB-CD2 3.8Å |
| 272 | Y | 96.4 | Very high | 94.1 | Very high | 73 Ų | 73 | 69.3 Ų | 69.3 | 29% | 0.286 | 35% | 0.345 | S | S | . | . | trans | -63.3 | 120.4 | -175.6 | -178.5 | -106.9 | 0 | 0 | 0 | 111.8 | P264 K266 A267 S269 H274 N279 | P264-Y272 WeakPolarHBondContact O-CD2 3.29Å; K266-Y272 WeakPolarHBondContact O-CD2 3.39Å; A267-Y272 HydrophobicContact CB-CD1 4.39Å; A267-Y272 HydrophobicContact CB-CE1 4.27Å; S269-Y272 VanDerWaalsContact O-CB 3.31Å; S269-Y272 WeakPolarHBondContact O-CB 3.42Å; S269-Y272 PolarHBondContact O-N 2.88Å; S269-Y272 VanDerWaalsContact O-N 3.08Å; Y272-H274 HydrophobicContact CD1-CB 4.1Å; Y272-H274 HydrophobicContact CE1-CB 3.98Å; Y272-H274 PolarHBondContact O-N 3.12Å; Y272-H274 VanDerWaalsContact O-N 3.15Å; Y272-N279 WeakPolarHBondContact O-CB 3.35Å; Y272-N279 PolarHBondContact O-ND2 3.42Å | ||
| 273 | F | 94.7 | Very high | 94 | Very high | 81 Ų | 81 | 70.6 Ų | 70.6 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | trans | -82.5 | 91.8 | 176.7 | -83.8 | -107.8 | 0 | 0 | 0 | 110.1 | H271 Q282 Y337 G338 L341 | H271-F273 WeakPolarHBondContact O-CD2 3.43Å; H271-F273 PolarHBondContact O-N 3.05Å; F273-Q282 VanDerWaalsContact CE1-NE2 3.34Å; F273-Y337 HydrophobicContact CE1-CE1 4.47Å; F273-Y337 HydrophobicContact CE2-CD1 4.26Å; F273-Y337 AromaticContact CE2-CE1 3.65Å; F273-Y337 HydrophobicContact CE2-CE1 3.65Å; F273-Y337 AromaticContact CE2-CZ 3.89Å; F273-Y337 AromaticContact CZ-CD1 3.61Å; F273-Y337 HydrophobicContact CZ-CD1 3.61Å; F273-Y337 AromaticContact CZ-CE1 3.39Å; F273-Y337 HydrophobicContact CZ-CE1 3.39Å; F273-Y337 HydrophobicContact CZ-CG 4.44Å; F273-G338 VanDerWaalsContact CZ-CA 3.5Å; F273-L341 HydrophobicContact CD2-CD2 3.93Å; F273-L341 HydrophobicContact CE2-CD2 3.54Å | ||
| 274 | H | 92.5 | Very high | 93.9 | Very high | 77 Ų | 77 | 68.5 Ų | 68.5 | 36% | 0.356 | 33% | 0.333 | S | S | . | . | trans | -74.2 | 142.6 | 174.6 | -173.8 | -92.9 | 0 | 0 | 0 | 110.8 | Y272 Y276 L277 | Y272-H274 HydrophobicContact CD1-CB 4.1Å; Y272-H274 HydrophobicContact CE1-CB 3.98Å; Y272-H274 PolarHBondContact O-N 3.12Å; Y272-H274 VanDerWaalsContact O-N 3.15Å; H274-Y276 AromaticContact CE1-CD2 3.85Å; H274-Y276 PolarHBondContact ND1-N 3.32Å; H274-Y276 VanDerWaalsContact ND1-N 3.15Å; H274-Y276 PolarHBondContact O-N 3.09Å; H274-Y276 VanDerWaalsContact O-N 3.16Å; H274-L277 HydrophobicContact CB-CB 4.17Å; H274-L277 PolarHBondContact ND1-N 3.25Å; H274-L277 VanDerWaalsContact ND1-N 3.17Å | ||
| 275 | P | 91.5 | Very high | 93.9 | Very high | 100 Ų | 100 | 67 Ų | 67 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -62.6 | -24.2 | -176.5 | -25.7 | 34.9 | 0 | 0 | 0 | 115.6 | ||
| 276 | Y | 89.3 | Confident | 93.8 | Very high | 207 Ų | 207 | 61.2 Ų | 61.2 | 81% | 0.812 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -125.8 | -10.9 | -173.2 | -55.3 | -70 | 0 | 0 | 0 | 114.5 | H274 | H274-Y276 AromaticContact CE1-CD2 3.85Å; H274-Y276 PolarHBondContact ND1-N 3.32Å; H274-Y276 VanDerWaalsContact ND1-N 3.15Å; H274-Y276 PolarHBondContact O-N 3.09Å; H274-Y276 VanDerWaalsContact O-N 3.16Å |
| 277 | L | 90.1 | Very high | 93.4 | Very high | 115 Ų | 115 | 56.8 Ų | 56.8 | 60% | 0.602 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -128 | 139.5 | -171.1 | -63.2 | 176 | 0 | 0 | 0 | 108.9 | H274 | H274-L277 HydrophobicContact CB-CB 4.17Å; H274-L277 PolarHBondContact ND1-N 3.25Å; H274-L277 VanDerWaalsContact ND1-N 3.17Å |
| 278 | L | 92 | Very high | 93.2 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 37% | 0.366 | 26% | 0.255 | S | S | . | . | trans | -76.5 | 135.6 | 174.8 | -61.2 | -178.2 | 0 | 0 | 0 | 109.4 | Q282 M283 | L278-Q282 HydrophobicContact CB-CB 3.92Å; L278-Q282 HydrophobicContact CD2-CB 4.04Å; L278-Q282 HydrophobicContact CG-CB 4.42Å; L278-M283 HydrophobicContact CB-CG 3.62Å; L278-M283 HydrophobicContact CD1-CG 4.47Å | ||
| 279 | N | 94.1 | Very high | 93 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | trans | -74.3 | 165.2 | 168.9 | 69.2 | 46.8 | 0 | 0 | 0 | 111.4 | L270 H271 Y272 Y281 Q282 M283 | L270-N279 WeakPolarHBondContact O-CB 3.32Å; H271-N279 PolarHBondContact O-ND2 3.11Å; Y272-N279 WeakPolarHBondContact O-CB 3.35Å; Y272-N279 PolarHBondContact O-ND2 3.42Å; N279-Y281 VanDerWaalsContact C-N 3.25Å; N279-Y281 PolarHBondContact O-N 2.86Å; N279-Y281 VanDerWaalsContact O-N 3.17Å; N279-Y281 WeakPolarHBondContact OD1-CB 3.43Å; N279-Y281 PolarHBondContact OD1-N 2.86Å; N279-Y281 VanDerWaalsContact OD1-N 3.15Å; N279-Q282 PolarHBondContact ND2-OE1 3.33Å; N279-Q282 PolarHBondContact O-N 3Å; N279-Q282 WeakPolarHBondContact OD1-CG 3.45Å; N279-Q282 PolarHBondContact OD1-N 3.12Å; N279-M283 WeakPolarHBondContact O-CG 3.39Å; N279-M283 PolarHBondContact O-N 3.24Å | ||
| 280 | P | 93.5 | Very high | 92.8 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 20% | 0.201 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -51.5 | -39 | -178.4 | -30.9 | 37.5 | 0 | 0 | 0 | 115.2 | L270 M283 A284 V408 M443 | L270-P280 HydrophobicContact CD2-CG 4.16Å; P280-M283 HydrophobicContact CB-CE 4.38Å; P280-M283 HydrophobicContact CG-CE 4.28Å; P280-M283 PolarHBondContact O-N 3.27Å; P280-A284 WeakPolarHBondContact O-CB 3.31Å; P280-A284 PolarHBondContact O-N 2.97Å; P280-V408 HydrophobicContact CB-CB 3.8Å; P280-V408 HydrophobicContact CB-CG1 3.85Å; P280-V408 HydrophobicContact CB-CG2 4.43Å; P280-M443 HydrophobicContact CB-SD 4.19Å |
| 281 | Y | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -44.3 | 176.4 | -73.2 | -97.6 | 0 | 0 | 0 | 112.2 | I255 D256 N261 L270 H271 N279 M283 A284 I285 I378 V408 | I255-Y281 HydrophobicContact CG2-CD1 3.78Å; I255-Y281 HydrophobicContact CG2-CE1 4.03Å; D256-Y281 HydrophobicContact CB-CE1 4.11Å; N261-Y281 PolarHBondContact ND2-OH 2.77Å; N261-Y281 VanDerWaalsContact OD1-CE2 3.28Å; N261-Y281 WeakPolarHBondContact OD1-CE2 3.32Å; N261-Y281 PolarHBondContact OD1-OH 3.29Å; L270-Y281 HydrophobicContact CB-CD2 4.38Å; L270-Y281 HydrophobicContact CB-CE2 3.93Å; H271-Y281 AromaticContact CE1-CD1 4Å; H271-Y281 AromaticContact CE1-CD2 3.68Å; H271-Y281 AromaticContact CE1-CE1 3.75Å; H271-Y281 AromaticContact CE1-CE2 3.45Å; H271-Y281 VanDerWaalsContact CE1-CE2 3.45Å; H271-Y281 WeakPolarHBondContact CE1-CE2 3.36Å; H271-Y281 AromaticContact CE1-CG 3.96Å; H271-Y281 AromaticContact CE1-CZ 3.49Å; H271-Y281 VanDerWaalsContact CE1-CZ 3.49Å; H271-Y281 AromaticContact ND1-CD2 3.52Å; H271-Y281 AromaticContact ND1-CE2 3.68Å; H271-Y281 AromaticContact ND1-CG 3.89Å; N279-Y281 VanDerWaalsContact C-N 3.25Å; N279-Y281 PolarHBondContact O-N 2.86Å; N279-Y281 VanDerWaalsContact O-N 3.17Å; N279-Y281 WeakPolarHBondContact OD1-CB 3.43Å; N279-Y281 PolarHBondContact OD1-N 2.86Å; N279-Y281 VanDerWaalsContact OD1-N 3.15Å; Y281-M283 VanDerWaalsContact C-N 3.3Å; Y281-M283 PolarHBondContact O-N 3.44Å; Y281-A284 PolarHBondContact O-N 3Å; Y281-I285 WeakPolarHBondContact O-CB 3.48Å; Y281-I285 WeakPolarHBondContact O-CD1 3.21Å; Y281-I285 VanDerWaalsContact O-CG1 3.24Å; Y281-I285 WeakPolarHBondContact O-CG1 3.14Å; Y281-I285 PolarHBondContact O-N 3.49Å; Y281-I378 HydrophobicContact CD1-CB 3.81Å; Y281-I378 HydrophobicContact CD1-CG2 3.41Å; Y281-I378 VanDerWaalsContact CD1-CG2 3.41Å; Y281-I378 HydrophobicContact CE1-CB 3.92Å; Y281-I378 HydrophobicContact CE1-CG2 3.57Å; Y281-I378 WeakPolarHBondContact CE1-O 3.33Å; Y281-I378 HydrophobicContact CG-CG2 4.06Å; Y281-V408 HydrophobicContact CD2-CG2 4.23Å; Y281-V408 HydrophobicContact CE2-CG2 3.6Å |
| 282 | Q | 94.8 | Very high | 92 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 9% | 0.093 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 176 | -66 | 174.8 | -64.1 | 0 | 0 | 111.6 | F273 L278 N279 R286 L334 Y337 | F273-Q282 VanDerWaalsContact CE1-NE2 3.34Å; L278-Q282 HydrophobicContact CB-CB 3.92Å; L278-Q282 HydrophobicContact CD2-CB 4.04Å; L278-Q282 HydrophobicContact CG-CB 4.42Å; N279-Q282 PolarHBondContact ND2-OE1 3.33Å; N279-Q282 PolarHBondContact O-N 3Å; N279-Q282 WeakPolarHBondContact OD1-CG 3.45Å; N279-Q282 PolarHBondContact OD1-N 3.12Å; Q282-R286 PolarHBondContact O-N 3.31Å; Q282-L334 HydrophobicContact CB-CD2 3.95Å; Q282-L334 HydrophobicContact CG-CD2 3.92Å; Q282-Y337 HydrophobicContact CG-CD1 4.26Å; Q282-Y337 HydrophobicContact CG-CE1 3.86Å |
| 283 | M | 92.3 | Very high | 91.7 | Very high | 53 Ų | 53 | 50.1 Ų | 50.1 | 26% | 0.261 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -45.8 | 176.1 | -69.1 | -167.3 | -71.1 | 0 | 0 | 111.7 | L278 N279 P280 Y281 R286 A287 M443 | L278-M283 HydrophobicContact CB-CG 3.62Å; L278-M283 HydrophobicContact CD1-CG 4.47Å; N279-M283 WeakPolarHBondContact O-CG 3.39Å; N279-M283 PolarHBondContact O-N 3.24Å; P280-M283 HydrophobicContact CB-CE 4.38Å; P280-M283 HydrophobicContact CG-CE 4.28Å; P280-M283 PolarHBondContact O-N 3.27Å; Y281-M283 VanDerWaalsContact C-N 3.3Å; Y281-M283 PolarHBondContact O-N 3.44Å; M283-R286 PolarHBondContact O-N 2.89Å; M283-A287 WeakPolarHBondContact O-CB 3.44Å; M283-A287 PolarHBondContact O-N 3.28Å; M283-M443 HydrophobicContact CB-CE 3.62Å; M283-M443 HydrophobicContact CE-CE 3.25Å; M283-M443 HydrophobicContact CE-SD 4.19Å; M283-M443 HydrophobicContact CG-CE 4.28Å; M283-M443 HydrophobicContact SD-CE 3.73Å |
| 284 | A | 93.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P280 Y281 R286 A287 V288 I378 V406 | P280-A284 WeakPolarHBondContact O-CB 3.31Å; P280-A284 PolarHBondContact O-N 2.97Å; Y281-A284 PolarHBondContact O-N 3Å; A284-R286 VanDerWaalsContact C-N 3.33Å; A284-R286 PolarHBondContact O-N 3.22Å; A284-A287 PolarHBondContact O-N 2.83Å; A284-V288 PolarHBondContact O-N 3.04Å; A284-I378 HydrophobicContact CB-CD1 3.72Å; A284-I378 HydrophobicContact CB-CG1 3.97Å; A284-I378 HydrophobicContact CB-CG2 4.04Å; A284-V406 HydrophobicContact CB-CB 4.46Å; A284-V406 HydrophobicContact CB-CG1 3.94Å |
| 285 | I | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.9 | -47.5 | 173.8 | -71.6 | 164.4 | 0 | 0 | 0 | 110.4 | F253 I255 Y281 G289 I330 V333 L334 Y337 I378 | F253-I285 HydrophobicContact CD1-CG1 4.13Å; F253-I285 HydrophobicContact CD1-CG2 4.29Å; F253-I285 HydrophobicContact CE1-CB 4.5Å; F253-I285 HydrophobicContact CE1-CG2 4.1Å; I255-I285 HydrophobicContact CD1-CD1 3.94Å; Y281-I285 WeakPolarHBondContact O-CB 3.48Å; Y281-I285 WeakPolarHBondContact O-CD1 3.21Å; Y281-I285 VanDerWaalsContact O-CG1 3.24Å; Y281-I285 WeakPolarHBondContact O-CG1 3.14Å; Y281-I285 PolarHBondContact O-N 3.49Å; I285-G289 VanDerWaalsContact O-CA 3.26Å; I285-G289 WeakPolarHBondContact O-CA 3.47Å; I285-G289 PolarHBondContact O-N 3.43Å; I285-I330 HydrophobicContact CG2-CG2 4Å; I285-V333 HydrophobicContact CD1-CG1 4.31Å; I285-V333 HydrophobicContact CG2-CB 4.4Å; I285-V333 HydrophobicContact CG2-CG1 3.7Å; I285-L334 HydrophobicContact CB-CD2 4.13Å; I285-L334 HydrophobicContact CD1-CD2 4.11Å; I285-L334 HydrophobicContact CG2-CD2 3.83Å; I285-L334 HydrophobicContact CG2-CG 4.17Å; I285-Y337 HydrophobicContact CD1-CD1 4.24Å; I285-Y337 HydrophobicContact CD1-CG 4.44Å; I285-I378 HydrophobicContact CD1-CD1 4.47Å; I285-I378 HydrophobicContact CG1-CD1 3.63Å |
| 286 | R | 92.5 | Very high | 90.9 | Very high | 85 Ų | 85 | 48 Ų | 48 | 32% | 0.321 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.8 | -42.5 | -180 | -76.4 | -159.3 | 174.8 | -161 | -4.6 | 112.9 | Q282 M283 A284 V288 G289 D290 I330 E331 L334 | Q282-R286 PolarHBondContact O-N 3.31Å; M283-R286 PolarHBondContact O-N 2.89Å; A284-R286 VanDerWaalsContact C-N 3.33Å; A284-R286 PolarHBondContact O-N 3.22Å; R286-V288 PolarHBondContact O-N 2.9Å; R286-G289 PolarHBondContact O-N 2.88Å; R286-D290 WeakPolarHBondContact O-CB 3.33Å; R286-D290 PolarHBondContact O-N 3.36Å; R286-I330 HydrophobicContact CG-CG2 4.37Å; R286-E331 IonicContact CZ-OE1 2.97Å; R286-E331 IonicContact NE-OE1 2.77Å; R286-E331 IonicContact NH2-OE1 3.42Å; R286-E331 PolarHBondContact NH2-OE1 2.76Å; R286-E331 IonicContact NH2-OE2 3.79Å; R286-L334 HydrophobicContact CG-CD1 4.11Å |
| 287 | A | 87.9 | Confident | 90.5 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.7 | -39.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M283 A284 L462 S463 | M283-A287 WeakPolarHBondContact O-CB 3.44Å; M283-A287 PolarHBondContact O-N 3.28Å; A284-A287 PolarHBondContact O-N 2.83Å; A287-L462 HydrophobicContact CB-CD2 3.72Å; A287-L462 HydrophobicContact CB-CG 3.98Å; A287-S463 WeakPolarHBondContact CA-OG 3.31Å; A287-S463 WeakPolarHBondContact O-CB 3.26Å; A287-S463 PolarHBondContact O-OG 3.29Å |
| 288 | V | 88.2 | Confident | 90.3 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -87 | -51.2 | 175.4 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | A284 R286 D290 I291 V292 L376 V466 L467 | A284-V288 PolarHBondContact O-N 3.04Å; R286-V288 PolarHBondContact O-N 2.9Å; V288-D290 VanDerWaalsContact C-N 3.33Å; V288-D290 PolarHBondContact O-N 2.89Å; V288-I291 PolarHBondContact O-N 2.84Å; V288-I291 VanDerWaalsContact O-N 3.13Å; V288-V292 HydrophobicContact CG1-CG1 3.82Å; V288-V292 HydrophobicContact CG1-CG2 4.15Å; V288-V292 WeakPolarHBondContact O-CG2 3.49Å; V288-V292 PolarHBondContact O-N 3.01Å; V288-L376 HydrophobicContact CB-CD2 3.77Å; V288-L376 HydrophobicContact CG1-CD2 4.16Å; V288-L376 HydrophobicContact CG2-CD1 3.97Å; V288-L376 HydrophobicContact CG2-CD2 3.7Å; V288-L376 HydrophobicContact CG2-CG 4.44Å; V288-V466 HydrophobicContact CG2-CB 4.28Å; V288-V466 HydrophobicContact CG2-CG1 3.3Å; V288-L467 HydrophobicContact CG1-CD2 4.23Å |
| 289 | G | 91.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.7 | -43.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I285 R286 I291 K293 I330 | I285-G289 VanDerWaalsContact O-CA 3.26Å; I285-G289 WeakPolarHBondContact O-CA 3.47Å; I285-G289 PolarHBondContact O-N 3.43Å; R286-G289 PolarHBondContact O-N 2.88Å; G289-I291 PolarHBondContact O-N 2.88Å; G289-K293 WeakPolarHBondContact O-CB 3.3Å; G289-K293 WeakPolarHBondContact O-CG 3.39Å; G289-K293 PolarHBondContact O-N 3Å; G289-I330 WeakPolarHBondContact O-CG1 3.36Å |
| 290 | D | 90.8 | Very high | 90 | Very high | 59 Ų | 59 | 41.8 Ų | 41.8 | 32% | 0.316 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68 | -18.8 | -176.3 | -78.6 | -41.1 | 0 | 0 | 0 | 113.8 | R286 V288 K293 | R286-D290 WeakPolarHBondContact O-CB 3.33Å; R286-D290 PolarHBondContact O-N 3.36Å; V288-D290 VanDerWaalsContact C-N 3.33Å; V288-D290 PolarHBondContact O-N 2.89Å; D290-K293 VanDerWaalsContact O-CE 3.25Å; D290-K293 WeakPolarHBondContact O-CE 3.49Å; D290-K293 IonicContact OD1-NZ 2.72Å; D290-K293 PolarHBondContact OD1-NZ 2.93Å |
| 291 | I | 89.2 | Confident | 89.9 | Confident | 63 Ų | 63 | 40.3 Ų | 40.3 | 32% | 0.323 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -95.9 | -53.2 | 175.3 | -63.7 | 174.5 | 0 | 0 | 0 | 110.4 | V288 G289 K293 D294 Y295 S463 L467 | V288-I291 PolarHBondContact O-N 2.84Å; V288-I291 VanDerWaalsContact O-N 3.13Å; G289-I291 PolarHBondContact O-N 2.88Å; I291-K293 PolarHBondContact O-N 3.43Å; I291-K293 VanDerWaalsContact O-N 3.17Å; I291-D294 PolarHBondContact O-N 3.3Å; I291-D294 VanDerWaalsContact O-N 3.13Å; I291-Y295 HydrophobicContact CG2-CE2 4.05Å; I291-Y295 WeakPolarHBondContact O-CD2 3.4Å; I291-S463 VanDerWaalsContact CD1-CB 3.47Å; I291-L467 HydrophobicContact CB-CD1 3.69Å; I291-L467 HydrophobicContact CD1-CD1 3.77Å; I291-L467 HydrophobicContact CG1-CD1 4.33Å; I291-L467 HydrophobicContact CG2-CD1 3.54Å |
| 292 | V | 88 | Confident | 89.8 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -26.1 | -175.2 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | C251 V288 D294 Y295 D296 F301 L467 | C251-V292 HydrophobicContact CB-CB 4.37Å; C251-V292 HydrophobicContact CB-CG2 3.75Å; V288-V292 HydrophobicContact CG1-CG1 3.82Å; V288-V292 HydrophobicContact CG1-CG2 4.15Å; V288-V292 WeakPolarHBondContact O-CG2 3.49Å; V288-V292 PolarHBondContact O-N 3.01Å; V292-D294 PolarHBondContact O-N 2.85Å; V292-D294 VanDerWaalsContact O-N 3.15Å; V292-Y295 PolarHBondContact O-N 3.35Å; V292-Y295 VanDerWaalsContact O-N 3.1Å; V292-D296 PolarHBondContact O-N 3.3Å; V292-F301 HydrophobicContact CG2-CE1 4.46Å; V292-L467 HydrophobicContact CG1-CD1 4.29Å; V292-L467 HydrophobicContact CG1-CD2 3.84Å |
| 293 | K | 90.3 | Very high | 89.8 | Confident | 67 Ų | 67 | 40.5 Ų | 40.5 | 29% | 0.291 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.7 | -30.9 | 177.7 | 73.2 | -174.7 | -179.7 | -163.2 | 0 | 112.3 | G289 D290 I291 Y295 K299 F301 I330 | G289-K293 WeakPolarHBondContact O-CB 3.3Å; G289-K293 WeakPolarHBondContact O-CG 3.39Å; G289-K293 PolarHBondContact O-N 3Å; D290-K293 VanDerWaalsContact O-CE 3.25Å; D290-K293 WeakPolarHBondContact O-CE 3.49Å; D290-K293 IonicContact OD1-NZ 2.72Å; D290-K293 PolarHBondContact OD1-NZ 2.93Å; I291-K293 PolarHBondContact O-N 3.43Å; I291-K293 VanDerWaalsContact O-N 3.17Å; K293-Y295 VanDerWaalsContact C-N 3.3Å; K293-Y295 PolarHBondContact O-N 3.29Å; K293-K299 WeakPolarHBondContact O-CD 3.31Å; K293-K299 WeakPolarHBondContact O-CE 3.36Å; K293-K299 PolarHBondContact O-NZ 3.46Å; K293-F301 HydrophobicContact CB-CE2 4.36Å; K293-F301 HydrophobicContact CB-CZ 3.8Å; K293-I330 HydrophobicContact CB-CD1 4.4Å; K293-I330 HydrophobicContact CB-CG1 4.24Å; K293-I330 HydrophobicContact CD-CG1 4.04Å |
| 294 | D | 88.4 | Confident | 89.8 | Confident | 114 Ų | 114 | 38.4 Ų | 38.4 | 61% | 0.61 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -74 | -26.4 | -177.1 | -70.4 | -18.4 | 0 | 0 | 0 | 112.1 | I291 V292 K299 | I291-D294 PolarHBondContact O-N 3.3Å; I291-D294 VanDerWaalsContact O-N 3.13Å; V292-D294 PolarHBondContact O-N 2.85Å; V292-D294 VanDerWaalsContact O-N 3.15Å; D294-K299 PolarHBondContact O-NZ 3.29Å |
| 295 | Y | 86.7 | Confident | 89.9 | Confident | 95 Ų | 95 | 38.3 Ų | 38.3 | 37% | 0.373 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -90.7 | -19.9 | 177.5 | -57.3 | -86.3 | 0 | 0 | 0 | 113.7 | F239 V243 L249 I291 V292 K293 | F239-Y295 HydrophobicContact CE1-CE1 4.44Å; V243-Y295 HydrophobicContact CG1-CD1 4.07Å; V243-Y295 HydrophobicContact CG2-CD1 4.41Å; L249-Y295 HydrophobicContact CD1-CD1 4.42Å; L249-Y295 HydrophobicContact CD1-CG 4.04Å; I291-Y295 HydrophobicContact CG2-CE2 4.05Å; I291-Y295 WeakPolarHBondContact O-CD2 3.4Å; V292-Y295 PolarHBondContact O-N 3.35Å; V292-Y295 VanDerWaalsContact O-N 3.1Å; K293-Y295 VanDerWaalsContact C-N 3.3Å; K293-Y295 PolarHBondContact O-N 3.29Å |
| 296 | D | 85.6 | Confident | 89.9 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | -74.2 | 126.5 | 171.8 | -166.9 | -52.3 | 0 | 0 | 0 | 109.6 | L249 V292 D298 K299 F301 | L249-D296 WeakPolarHBondContact O-CA 3.29Å; V292-D296 PolarHBondContact O-N 3.3Å; D296-D298 PolarHBondContact OD1-N 2.64Å; D296-K299 VanDerWaalsContact O-CD 3.24Å; D296-K299 WeakPolarHBondContact O-CD 3.43Å; D296-K299 WeakPolarHBondContact O-CE 3.22Å; D296-K299 PolarHBondContact O-NZ 2.9Å; D296-K299 PolarHBondContact OD1-N 3.46Å; D296-F301 HydrophobicContact CB-CE1 3.95Å; D296-F301 HydrophobicContact CB-CZ 3.87Å | ||
| 297 | S | 81 | Confident | 90 | Very high | 69 Ų | 69 | 34.3 Ų | 34.3 | 48% | 0.483 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -81.3 | -35.2 | -175.2 | 59.9 | 0 | 0 | 0 | 0 | 113.9 | H248 | H248-S297 PolarHBondContact CE1-OG 2.92Å; H248-S297 VanDerWaalsContact CE1-OG 3.29Å; H248-S297 VanDerWaalsContact ND1-CB 3.31Å; H248-S297 WeakPolarHBondContact ND1-CB 3.32Å; H248-S297 PolarHBondContact ND1-OG 3.07Å |
| 298 | D | 86.7 | Confident | 90.3 | Very high | 71 Ų | 71 | 34 Ų | 34 | 38% | 0.38 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -94.2 | -14.8 | -175.9 | 62.1 | 28.8 | 0 | 0 | 0 | 111.5 | D296 L300 | D296-D298 PolarHBondContact OD1-N 2.64Å; D298-L300 HydrophobicContact CB-CB 4.49Å; D298-L300 HydrophobicContact CB-CD1 4.36Å; D298-L300 HydrophobicContact CB-CG 4.22Å; D298-L300 PolarHBondContact O-N 3.17Å; D298-L300 VanDerWaalsContact OD1-CB 3.26Å; D298-L300 WeakPolarHBondContact OD1-CB 3.49Å; D298-L300 PolarHBondContact OD1-N 3.12Å |
| 299 | K | 88.7 | Confident | 90.5 | Very high | 77 Ų | 77 | 40.3 Ų | 40.3 | 34% | 0.335 | 20% | 0.198 | S | C | . | . | trans | 59 | 26.6 | -178.4 | -46.4 | -63.7 | -178.3 | -159.9 | 0 | 111.5 | K293 D294 D296 F301 G329 | K293-K299 WeakPolarHBondContact O-CD 3.31Å; K293-K299 WeakPolarHBondContact O-CE 3.36Å; K293-K299 PolarHBondContact O-NZ 3.46Å; D294-K299 PolarHBondContact O-NZ 3.29Å; D296-K299 VanDerWaalsContact O-CD 3.24Å; D296-K299 WeakPolarHBondContact O-CD 3.43Å; D296-K299 WeakPolarHBondContact O-CE 3.22Å; D296-K299 PolarHBondContact O-NZ 2.9Å; D296-K299 PolarHBondContact OD1-N 3.46Å; K299-F301 VanDerWaalsContact C-CE2 3.42Å; K299-F301 HydrophobicContact CB-CE2 4.27Å; K299-F301 WeakPolarHBondContact O-CD2 3.29Å; K299-F301 VanDerWaalsContact O-CE2 3.25Å; K299-F301 WeakPolarHBondContact O-CE2 3.45Å; K299-G329 PolarHBondContact O-N 3.24Å | ||
| 300 | L | 91 | Very high | 90.5 | Very high | 54 Ų | 54 | 42.4 Ų | 42.4 | 28% | 0.283 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 111.3 | -179.9 | -66.9 | -177.1 | 0 | 0 | 0 | 110 | D298 P302 F326 C327 I328 | D298-L300 HydrophobicContact CB-CB 4.49Å; D298-L300 HydrophobicContact CB-CD1 4.36Å; D298-L300 HydrophobicContact CB-CG 4.22Å; D298-L300 PolarHBondContact O-N 3.17Å; D298-L300 VanDerWaalsContact OD1-CB 3.26Å; D298-L300 WeakPolarHBondContact OD1-CB 3.49Å; D298-L300 PolarHBondContact OD1-N 3.12Å; L300-P302 WeakPolarHBondContact O-CD 3.4Å; L300-F326 HydrophobicContact CB-CB 3.93Å; L300-F326 HydrophobicContact CB-CD1 3.8Å; L300-F326 HydrophobicContact CB-CG 4.1Å; L300-F326 HydrophobicContact CD1-CB 4.3Å; L300-F326 HydrophobicContact CD1-CG 4.38Å; L300-F326 HydrophobicContact CD2-CB 4.13Å; L300-F326 HydrophobicContact CG-CB 4.34Å; L300-C327 WeakPolarHBondContact CA-O 3.25Å; L300-I328 HydrophobicContact CD2-CG1 4.07Å |
| 301 | F | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.8 | -173.5 | -60 | -78.9 | 0 | 0 | 0 | 110.9 | C251 F253 V292 K293 D296 K299 V303 C327 I330 V333 | C251-F301 HydrophobicContact CB-CD1 4.14Å; C251-F301 HydrophobicContact CB-CE1 4.27Å; C251-F301 WeakPolarHBondContact O-CD1 3.39Å; F253-F301 HydrophobicContact CD2-CB 4.06Å; F253-F301 HydrophobicContact CE2-CB 3.82Å; F253-F301 AromaticContact CE2-CD1 3.71Å; F253-F301 HydrophobicContact CE2-CD1 3.71Å; F253-F301 AromaticContact CE2-CG 3.94Å; F253-F301 HydrophobicContact CE2-CG 3.94Å; V292-F301 HydrophobicContact CG2-CE1 4.46Å; K293-F301 HydrophobicContact CB-CE2 4.36Å; K293-F301 HydrophobicContact CB-CZ 3.8Å; D296-F301 HydrophobicContact CB-CE1 3.95Å; D296-F301 HydrophobicContact CB-CZ 3.87Å; K299-F301 VanDerWaalsContact C-CE2 3.42Å; K299-F301 HydrophobicContact CB-CE2 4.27Å; K299-F301 WeakPolarHBondContact O-CD2 3.29Å; K299-F301 VanDerWaalsContact O-CE2 3.25Å; K299-F301 WeakPolarHBondContact O-CE2 3.45Å; F301-V303 PolarHBondContact O-N 2.62Å; F301-C327 PolarHBondContact N-O 2.78Å; F301-C327 WeakPolarHBondContact O-CB 3.34Å; F301-C327 PolarHBondContact O-N 3.37Å; F301-I330 HydrophobicContact CD2-CD1 4.18Å; F301-I330 HydrophobicContact CE1-CD1 4.46Å; F301-I330 HydrophobicContact CE2-CD1 4.12Å; F301-I330 HydrophobicContact CG-CD1 4.41Å; F301-I330 HydrophobicContact CZ-CD1 4.28Å; F301-V333 HydrophobicContact CB-CG2 3.52Å; F301-V333 HydrophobicContact CD2-CG2 4.43Å; F301-V333 HydrophobicContact CG-CG2 4.19Å |
| 302 | P | 92.8 | Very high | 90.1 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | trans | -63.4 | 133 | 168.8 | -21.8 | 33.3 | 0 | 0 | 0 | 111.2 | C251 A252 F253 L300 P325 F326 | C251-P302 WeakPolarHBondContact O-CD 3.45Å; A252-P302 WeakPolarHBondContact CA-O 3.41Å; A252-P302 HydrophobicContact CB-CB 4.05Å; A252-P302 HydrophobicContact CB-CG 4.34Å; F253-P302 PolarHBondContact N-O 2.6Å; L300-P302 WeakPolarHBondContact O-CD 3.4Å; P302-P325 VanDerWaalsContact CA-O 3.27Å; P302-P325 WeakPolarHBondContact CA-O 3.38Å; P302-F326 HydrophobicContact CG-CD1 3.99Å; P302-F326 HydrophobicContact CG-CE1 3.74Å | ||
| 303 | V | 93.8 | Very high | 90 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.4 | 171.9 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | F253 I255 F301 P322 C327 V333 | F253-V303 CarbonylContact O-C 3.57Å; F253-V303 WeakPolarHBondContact O-CA 3.48Å; I255-V303 HydrophobicContact CD1-CG1 3.97Å; F301-V303 PolarHBondContact O-N 2.62Å; V303-P322 HydrophobicContact CB-CG 4.25Å; V303-P322 HydrophobicContact CG1-CG 4.06Å; V303-P322 WeakPolarHBondContact O-CD 3.48Å; V303-C327 HydrophobicContact CG2-CB 4.28Å; V303-C327 WeakPolarHBondContact CG2-SG 3.41Å; V303-V333 HydrophobicContact CG2-CB 4.05Å; V303-V333 HydrophobicContact CG2-CG1 3.72Å; V303-V333 HydrophobicContact CG2-CG2 3.84Å |
| 304 | L | 94 | Very high | 89.7 | Confident | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.5 | -178.3 | -58 | 164.8 | 0 | 0 | 0 | 108.4 | F253 A254 I255 F320 I355 V359 | F253-L304 PolarHBondContact O-N 3.24Å; A254-L304 CarbonylContact C-O 3.06Å; A254-L304 WeakPolarHBondContact CA-O 3.26Å; I255-L304 PolarHBondContact N-O 3.34Å; L304-F320 CarbonylContact C-O 3.57Å; L304-F320 WeakPolarHBondContact CA-O 3.48Å; L304-I355 HydrophobicContact CB-CD1 3.44Å; L304-I355 VanDerWaalsContact CB-CD1 3.44Å; L304-I355 HydrophobicContact CB-CG1 4.44Å; L304-I355 HydrophobicContact CD1-CD1 3.4Å; L304-I355 HydrophobicContact CD1-CG1 4.21Å; L304-I355 HydrophobicContact CD2-CD1 4.49Å; L304-I355 HydrophobicContact CG-CD1 3.91Å; L304-V359 HydrophobicContact CD1-CG2 4.09Å |
| 305 | G | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 151.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I255 D319 F320 | I255-G305 WeakPolarHBondContact O-CA 3.35Å; G305-D319 PolarHBondContact O-N 3.27Å; G305-F320 PolarHBondContact N-O 2.89Å; G305-F320 WeakPolarHBondContact O-CD1 3.34Å; G305-F320 VanDerWaalsContact O-CE1 3.25Å; G305-F320 WeakPolarHBondContact O-CE1 3.37Å; G305-F320 PolarHBondContact O-N 3.06Å |
| 306 | F | 95 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 154.3 | 172 | 62.6 | -88.1 | 0 | 0 | 0 | 111.8 | A254 I255 D256 F257 H318 T350 F352 I377 | A254-F306 HydrophobicContact CB-CD1 4.21Å; A254-F306 HydrophobicContact CB-CE1 3.99Å; I255-F306 VanDerWaalsContact C-CE1 3.42Å; I255-F306 WeakPolarHBondContact O-CD1 3.31Å; I255-F306 PolarHBondContact O-N 2.89Å; D256-F306 VanDerWaalsContact CA-CZ 3.45Å; D256-F306 HydrophobicContact CB-CD2 4.4Å; D256-F306 HydrophobicContact CB-CE1 4.1Å; D256-F306 HydrophobicContact CB-CE2 3.53Å; D256-F306 HydrophobicContact CB-CZ 3.37Å; D256-F306 VanDerWaalsContact N-CE1 3.35Å; F257-F306 PolarHBondContact N-O 3.5Å; F306-H318 HydrophobicContact CB-CB 4.33Å; F306-H318 VanDerWaalsContact CB-O 3.23Å; F306-H318 WeakPolarHBondContact CB-O 3.44Å; F306-T350 HydrophobicContact CE2-CG2 3.98Å; F306-F352 AromaticContact CE2-CD1 3.98Å; F306-F352 HydrophobicContact CE2-CD1 3.98Å; F306-F352 AromaticContact CE2-CE1 3.59Å; F306-F352 HydrophobicContact CE2-CE1 3.59Å; F306-F352 HydrophobicContact CZ-CD1 4.2Å; F306-F352 AromaticContact CZ-CE1 3.65Å; F306-F352 HydrophobicContact CZ-CE1 3.65Å; F306-I377 HydrophobicContact CE1-CG2 3.89Å; F306-I377 HydrophobicContact CZ-CG2 3.74Å |
| 307 | G | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 81.8 | 22.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F257 S317 A347 | F257-G307 CarbonylContact C-O 3.5Å; G307-S317 PolarHBondContact N-O 3.1Å; G307-A347 CarbonylContact O-C 3.57Å; G307-A347 VanDerWaalsContact O-CA 3.27Å; G307-A347 WeakPolarHBondContact O-CA 3.48Å; G307-A347 WeakPolarHBondContact O-CB 3.4Å; G307-A347 PolarHBondContact O-N 3Å |
| 308 | A | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 154.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F257 V316 S317 F320 I344 W345 | F257-A308 HydrophobicContact CB-CB 3.83Å; A308-V316 CarbonylContact O-C 3.55Å; A308-V316 WeakPolarHBondContact O-CA 3.42Å; A308-S317 PolarHBondContact N-O 2.9Å; A308-S317 PolarHBondContact O-N 2.67Å; A308-F320 HydrophobicContact CB-CE1 3.74Å; A308-F320 HydrophobicContact CB-CZ 3.78Å; A308-I344 HydrophobicContact CB-CB 4.04Å; A308-I344 HydrophobicContact CB-CD1 3.91Å; A308-I344 HydrophobicContact CB-CG1 4.23Å; A308-W345 WeakPolarHBondContact CA-O 3.43Å |
| 309 | R | 93.5 | Very high | 90.1 | Very high | 135 Ų | 135 | 48.2 Ų | 48.2 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 131.1 | 164.1 | -72.2 | -179.3 | -173.5 | -173.1 | 1.7 | 110.2 | G314 R315 V316 W345 A347 | R309-G314 WeakPolarHBondContact CD-O 3.43Å; R309-G314 VanDerWaalsContact CG-O 3.27Å; R309-G314 WeakPolarHBondContact CG-O 3.43Å; R309-R315 WeakPolarHBondContact CA-O 3.26Å; R309-V316 HydrophobicContact CG-CG2 3.66Å; R309-W345 HydrophobicContact CB-CB 4.27Å; R309-W345 HydrophobicContact CB-CE3 4.43Å; R309-W345 PolarHBondContact N-O 2.65Å; R309-W345 PolarHBondContact O-N 3.4Å; R309-W345 VanDerWaalsContact O-N 3.08Å; R309-A347 HydrophobicContact CB-CB 4.46Å; R309-A347 HydrophobicContact CG-CB 3.79Å |
| 310 | L | 90.2 | Very high | 90 | Very high | 43 Ų | 43 | 45.2 Ų | 45.2 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 145.8 | -179.9 | -54.8 | -178.6 | 0 | 0 | 0 | 111.4 | G314 R315 F320 I344 | L310-G314 WeakPolarHBondContact O-CA 3.42Å; L310-G314 PolarHBondContact O-N 3.07Å; L310-R315 PolarHBondContact N-O 2.88Å; L310-F320 HydrophobicContact CD1-CB 3.62Å; L310-F320 HydrophobicContact CD1-CD1 4.19Å; L310-F320 HydrophobicContact CD1-CD2 4.32Å; L310-F320 HydrophobicContact CD1-CG 3.8Å; L310-F320 HydrophobicContact CD2-CD1 4.02Å; L310-F320 HydrophobicContact CD2-CD2 3.78Å; L310-F320 HydrophobicContact CD2-CE1 4.08Å; L310-F320 HydrophobicContact CD2-CE2 3.85Å; L310-F320 HydrophobicContact CD2-CG 3.87Å; L310-F320 HydrophobicContact CD2-CZ 3.99Å; L310-F320 HydrophobicContact CG-CD1 4.45Å; L310-F320 HydrophobicContact CG-CG 4.36Å; L310-I344 HydrophobicContact CD2-CB 4.48Å; L310-I344 HydrophobicContact CD2-CG2 3.58Å |
| 311 | A | 87 | Confident | 89.5 | Confident | 62 Ų | 62 | 45.8 Ų | 45.8 | 51% | 0.512 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 151.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | W345 | A311-W345 HydrophobicContact CB-CH2 4.12Å; A311-W345 HydrophobicContact CB-CZ3 3.89Å |
| 312 | P | 85 | Confident | 88.1 | Confident | 134 Ų | 134 | 46.8 Ų | 46.8 | 87% | 0.87 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92.3 | -18.9 | 1.1 | 34.6 | -34.1 | 0 | 0 | 0 | 114.7 | ||
| 313 | D | 86.2 | Confident | 86.6 | Confident | 93 Ų | 93 | 49.5 Ų | 49.5 | 50% | 0.497 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5 | -168.8 | 66.1 | -2.2 | 0 | 0 | 0 | 114.3 | R315 | D313-R315 PolarHBondContact O-N 2.9Å; D313-R315 WeakPolarHBondContact OD1-CB 3.48Å; D313-R315 WeakPolarHBondContact OD1-CG 3.28Å; D313-R315 PolarHBondContact OD1-N 3.42Å; D313-R315 VanDerWaalsContact OD1-N 3.11Å; D313-R315 WeakPolarHBondContact OD2-CD 3.26Å; D313-R315 VanDerWaalsContact OD2-CG 3.27Å; D313-R315 WeakPolarHBondContact OD2-CG 3.44Å; D313-R315 IonicContact OD2-CZ 2.65Å; D313-R315 IonicContact OD2-NE 3.93Å; D313-R315 PolarHBondContact OD2-NE 3.09Å; D313-R315 IonicContact OD2-NH2 3.97Å |
| 314 | G | 83.4 | Confident | 85.1 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | trans | 69.9 | 18.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | R309 L310 V316 | R309-G314 WeakPolarHBondContact CD-O 3.43Å; R309-G314 VanDerWaalsContact CG-O 3.27Å; R309-G314 WeakPolarHBondContact CG-O 3.43Å; L310-G314 WeakPolarHBondContact O-CA 3.42Å; L310-G314 PolarHBondContact O-N 3.07Å; G314-V316 PolarHBondContact O-N 2.92Å | ||
| 315 | R | 88.6 | Confident | 83.8 | Confident | 182 Ų | 182 | 57 Ų | 57 | 69% | 0.687 | 31% | 0.312 | S | S | * | . | trans | -62.5 | 134.1 | 173.4 | -77.3 | -178.7 | -161.1 | -162.3 | 2.2 | 110 | R309 L310 D313 | R309-R315 WeakPolarHBondContact CA-O 3.26Å; L310-R315 PolarHBondContact N-O 2.88Å; D313-R315 PolarHBondContact O-N 2.9Å; D313-R315 WeakPolarHBondContact OD1-CB 3.48Å; D313-R315 WeakPolarHBondContact OD1-CG 3.28Å; D313-R315 PolarHBondContact OD1-N 3.42Å; D313-R315 VanDerWaalsContact OD1-N 3.11Å; D313-R315 WeakPolarHBondContact OD2-CD 3.26Å; D313-R315 VanDerWaalsContact OD2-CG 3.27Å; D313-R315 WeakPolarHBondContact OD2-CG 3.44Å; D313-R315 IonicContact OD2-CZ 2.65Å; D313-R315 IonicContact OD2-NE 3.93Å; D313-R315 PolarHBondContact OD2-NE 3.09Å; D313-R315 IonicContact OD2-NH2 3.97Å | ||
| 316 | V | 88.2 | Confident | 82.8 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 33% | 0.333 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 127.6 | 169.4 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | A308 R309 G314 H318 A347 | A308-V316 CarbonylContact O-C 3.55Å; A308-V316 WeakPolarHBondContact O-CA 3.42Å; R309-V316 HydrophobicContact CG-CG2 3.66Å; G314-V316 PolarHBondContact O-N 2.92Å; V316-H318 WeakPolarHBondContact CG1-NE2 3.36Å; V316-A347 HydrophobicContact CG2-CB 4.37Å |
| 317 | S | 88.7 | Confident | 82.4 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 16% | 0.161 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.7 | 174.2 | -177 | 0 | 0 | 0 | 0 | 110.9 | G307 A308 | G307-S317 PolarHBondContact N-O 3.1Å; A308-S317 PolarHBondContact N-O 2.9Å; A308-S317 PolarHBondContact O-N 2.67Å |
| 318 | H | 86.8 | Confident | 82.1 | Confident | 25 Ų | 25 | 68.8 Ų | 68.8 | 12% | 0.116 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -123.3 | 9.2 | -178 | -57.7 | -73.9 | 0 | 0 | 0 | 112.7 | F306 V316 P349 H351 P354 | F306-H318 HydrophobicContact CB-CB 4.33Å; F306-H318 VanDerWaalsContact CB-O 3.23Å; F306-H318 WeakPolarHBondContact CB-O 3.44Å; V316-H318 WeakPolarHBondContact CG1-NE2 3.36Å; H318-P349 PolarHBondContact CE1-O 2.93Å; H318-P349 PolarHBondContact ND1-O 3.03Å; H318-H351 HydrophobicContact CB-CB 4.1Å; H318-H351 AromaticContact CD2-ND1 3.48Å; H318-H351 PolarHBondContact CD2-ND1 3.34Å; H318-H351 AromaticContact CE1-CG 3.97Å; H318-H351 AromaticContact CE1-ND1 3.58Å; H318-H351 AromaticContact CG-ND1 3.89Å; H318-H351 AromaticContact ND1-ND1 3.94Å; H318-H351 AromaticContact NE2-CE1 3.98Å; H318-H351 AromaticContact NE2-ND1 3.25Å; H318-H351 PolarHBondContact NE2-ND1 2.79Å; H318-P354 HydrophobicContact CB-CB 4.11Å; H318-P354 HydrophobicContact CB-CG 3.9Å |
| 319 | D | 85.4 | Confident | 82 | Confident | 71 Ų | 71 | 69.7 Ų | 69.7 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -158.7 | 43.1 | -179.5 | 68.4 | -37.1 | 0 | 0 | 0 | 112.4 | G305 P354 I355 H358 | G305-D319 PolarHBondContact O-N 3.27Å; D319-P354 HydrophobicContact CB-CB 4.2Å; D319-I355 HydrophobicContact CB-CD1 4.14Å; D319-H358 IonicContact OD2-ND1 3.83Å |
| 320 | F | 85.7 | Confident | 82 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 7% | 0.066 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -92.2 | 154.2 | -176.7 | 64.5 | -87.8 | 0 | 0 | 0 | 113.2 | F257 L304 G305 A308 L310 I344 | F257-F320 AromaticContact CD2-CZ 3.75Å; F257-F320 HydrophobicContact CD2-CZ 3.75Å; F257-F320 HydrophobicContact CE2-CE2 4.49Å; F257-F320 HydrophobicContact CE2-CZ 4.14Å; L304-F320 CarbonylContact C-O 3.57Å; L304-F320 WeakPolarHBondContact CA-O 3.48Å; G305-F320 PolarHBondContact N-O 2.89Å; G305-F320 WeakPolarHBondContact O-CD1 3.34Å; G305-F320 VanDerWaalsContact O-CE1 3.25Å; G305-F320 WeakPolarHBondContact O-CE1 3.37Å; G305-F320 PolarHBondContact O-N 3.06Å; A308-F320 HydrophobicContact CB-CE1 3.74Å; A308-F320 HydrophobicContact CB-CZ 3.78Å; L310-F320 HydrophobicContact CD1-CB 3.62Å; L310-F320 HydrophobicContact CD1-CD1 4.19Å; L310-F320 HydrophobicContact CD1-CD2 4.32Å; L310-F320 HydrophobicContact CD1-CG 3.8Å; L310-F320 HydrophobicContact CD2-CD1 4.02Å; L310-F320 HydrophobicContact CD2-CD2 3.78Å; L310-F320 HydrophobicContact CD2-CE1 4.08Å; L310-F320 HydrophobicContact CD2-CE2 3.85Å; L310-F320 HydrophobicContact CD2-CG 3.87Å; L310-F320 HydrophobicContact CD2-CZ 3.99Å; L310-F320 HydrophobicContact CG-CD1 4.45Å; L310-F320 HydrophobicContact CG-CG 4.36Å; F320-I344 HydrophobicContact CE2-CG2 4.23Å; F320-I344 HydrophobicContact CZ-CG2 4.39Å |
| 321 | N | 80.4 | Confident | 82.2 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 35% | 0.353 | 37% | 0.371 | S | S | . | . | trans | -101.9 | 126.4 | 173.7 | -179.8 | -12.8 | 0 | 0 | 0 | 110 | T323 D324 P325 | N321-T323 PolarHBondContact OD1-N 2.69Å; N321-D324 VanDerWaalsContact ND2-C 3.27Å; N321-D324 PolarHBondContact ND2-O 3.48Å; N321-D324 PolarHBondContact OD1-N 2.75Å; N321-D324 PolarHBondContact OD1-O 3.02Å; N321-P325 WeakPolarHBondContact ND2-CA 3.2Å | ||
| 322 | P | 63.3 | Low | 82.5 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 13% | 0.13 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -72.3 | -28.1 | -170.9 | 25.1 | -33.2 | 0 | 0 | 0 | 116.3 | V303 A336 C340 | V303-P322 HydrophobicContact CB-CG 4.25Å; V303-P322 HydrophobicContact CG1-CG 4.06Å; V303-P322 WeakPolarHBondContact O-CD 3.48Å; P322-A336 HydrophobicContact CG-CB 4.49Å; P322-C340 HydrophobicContact CB-CB 3.45Å; P322-C340 VanDerWaalsContact CB-CB 3.45Å; P322-C340 HydrophobicContact CG-CB 4.41Å |
| 323 | T | 60.6 | Low | 82.9 | Confident | 77 Ų | 77 | 58.3 Ų | 58.3 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -156.4 | -37 | -173.1 | 35.5 | 0 | 0 | 0 | 0 | 115.5 | N321 T339 | N321-T323 PolarHBondContact OD1-N 2.69Å; T323-T339 HydrophobicContact CG2-CG2 4.07Å |
| 324 | D | 62.6 | Low | 83.3 | Confident | 111 Ų | 111 | 54.6 Ų | 54.6 | 59% | 0.594 | 29% | 0.293 | S | S | * | . | trans | -172.6 | 149 | -179.1 | -155 | 19.7 | 0 | 0 | 0 | 107.1 | N321 F326 | N321-D324 VanDerWaalsContact ND2-C 3.27Å; N321-D324 PolarHBondContact ND2-O 3.48Å; N321-D324 PolarHBondContact OD1-N 2.75Å; N321-D324 PolarHBondContact OD1-O 3.02Å; D324-F326 PolarHBondContact O-N 3.12Å | ||
| 325 | P | 66.9 | Low | 83.8 | Confident | 58 Ų | 58 | 60.1 Ų | 60.1 | 38% | 0.377 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -67.6 | -9.8 | -168.6 | 23.9 | -23.2 | 0 | 0 | 0 | 115.2 | P302 N321 | P302-P325 VanDerWaalsContact CA-O 3.27Å; P302-P325 WeakPolarHBondContact CA-O 3.38Å; N321-P325 WeakPolarHBondContact ND2-CA 3.2Å |
| 326 | F | 74.3 | Confident | 84 | Confident | 99 Ų | 99 | 51.8 Ų | 51.8 | 43% | 0.434 | 28% | 0.282 | S | S | . | . | trans | -140.1 | 120.4 | -174.9 | -63.6 | -71.4 | 0 | 0 | 0 | 112.2 | L300 P302 D324 | L300-F326 HydrophobicContact CB-CB 3.93Å; L300-F326 HydrophobicContact CB-CD1 3.8Å; L300-F326 HydrophobicContact CB-CG 4.1Å; L300-F326 HydrophobicContact CD1-CB 4.3Å; L300-F326 HydrophobicContact CD1-CG 4.38Å; L300-F326 HydrophobicContact CD2-CB 4.13Å; L300-F326 HydrophobicContact CG-CB 4.34Å; P302-F326 HydrophobicContact CG-CD1 3.99Å; P302-F326 HydrophobicContact CG-CE1 3.74Å; D324-F326 PolarHBondContact O-N 3.12Å | ||
| 327 | C | 85.7 | Confident | 84.4 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 8% | 0.081 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.7 | 171 | -65.9 | 0 | 0 | 0 | 0 | 110.2 | L300 F301 V303 G329 V333 A336 | L300-C327 WeakPolarHBondContact CA-O 3.25Å; F301-C327 PolarHBondContact N-O 2.78Å; F301-C327 WeakPolarHBondContact O-CB 3.34Å; F301-C327 PolarHBondContact O-N 3.37Å; V303-C327 HydrophobicContact CG2-CB 4.28Å; V303-C327 WeakPolarHBondContact CG2-SG 3.41Å; C327-G329 PolarHBondContact O-N 2.67Å; C327-V333 HydrophobicContact CB-CG2 3.8Å; C327-A336 WeakPolarHBondContact SG-CB 3.25Å |
| 328 | I | 87.4 | Confident | 84.6 | Confident | 138 Ų | 138 | 48.7 Ų | 48.7 | 71% | 0.708 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 109 | 174.5 | -57.2 | 174.1 | 0 | 0 | 0 | 108.7 | L300 G332 | L300-I328 HydrophobicContact CD2-CG1 4.07Å; I328-G332 PolarHBondContact O-N 2.83Å |
| 329 | G | 92.2 | Very high | 84.9 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | 65.5 | 178.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K299 C327 E331 G332 V333 | K299-G329 PolarHBondContact O-N 3.24Å; C327-G329 PolarHBondContact O-N 2.67Å; G329-E331 VanDerWaalsContact C-N 3.35Å; G329-E331 PolarHBondContact O-N 3.1Å; G329-G332 PolarHBondContact O-N 2.89Å; G329-V333 PolarHBondContact O-N 2.8Å |
| 330 | I | 93.7 | Very high | 85.2 | Confident | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.5 | -31.9 | -177.2 | -55.1 | -50.1 | 0 | 0 | 0 | 112.2 | F253 I285 R286 G289 K293 F301 G332 V333 L334 | F253-I330 HydrophobicContact CE2-CD1 4.37Å; F253-I330 HydrophobicContact CZ-CD1 4.01Å; I285-I330 HydrophobicContact CG2-CG2 4Å; R286-I330 HydrophobicContact CG-CG2 4.37Å; G289-I330 WeakPolarHBondContact O-CG1 3.36Å; K293-I330 HydrophobicContact CB-CD1 4.4Å; K293-I330 HydrophobicContact CB-CG1 4.24Å; K293-I330 HydrophobicContact CD-CG1 4.04Å; F301-I330 HydrophobicContact CD2-CD1 4.18Å; F301-I330 HydrophobicContact CE1-CD1 4.46Å; F301-I330 HydrophobicContact CE2-CD1 4.12Å; F301-I330 HydrophobicContact CG-CD1 4.41Å; F301-I330 HydrophobicContact CZ-CD1 4.28Å; I330-G332 VanDerWaalsContact C-N 3.29Å; I330-G332 PolarHBondContact O-N 3.07Å; I330-V333 WeakPolarHBondContact O-CB 3.33Å; I330-V333 PolarHBondContact O-N 3.36Å; I330-V333 VanDerWaalsContact O-N 3.14Å; I330-L334 HydrophobicContact CG2-CD1 4.41Å; I330-L334 WeakPolarHBondContact O-CG 3.34Å; I330-L334 PolarHBondContact O-N 2.82Å |
| 331 | E | 93.9 | Very high | 85.5 | Confident | 112 Ų | 112 | 46.2 Ų | 46.2 | 52% | 0.523 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 172.4 | -65.1 | -55.4 | 136.4 | 0 | 0 | 111.5 | R286 G329 V333 L334 Q335 | R286-E331 IonicContact CZ-OE1 2.97Å; R286-E331 IonicContact NE-OE1 2.77Å; R286-E331 IonicContact NH2-OE1 3.42Å; R286-E331 PolarHBondContact NH2-OE1 2.76Å; R286-E331 IonicContact NH2-OE2 3.79Å; G329-E331 VanDerWaalsContact C-N 3.35Å; G329-E331 PolarHBondContact O-N 3.1Å; E331-V333 VanDerWaalsContact C-N 3.34Å; E331-V333 PolarHBondContact O-N 2.82Å; E331-L334 PolarHBondContact O-N 2.96Å; E331-Q335 WeakPolarHBondContact O-CB 3.24Å; E331-Q335 PolarHBondContact O-N 2.9Å |
| 332 | G | 93.3 | Very high | 86.1 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I328 G329 I330 Q335 A336 | I328-G332 PolarHBondContact O-N 2.83Å; G329-G332 PolarHBondContact O-N 2.89Å; I330-G332 VanDerWaalsContact C-N 3.29Å; I330-G332 PolarHBondContact O-N 3.07Å; G332-Q335 PolarHBondContact O-N 2.64Å; G332-A336 WeakPolarHBondContact O-CB 3.16Å; G332-A336 PolarHBondContact O-N 3.09Å |
| 333 | V | 94.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 111 | F253 I285 F301 V303 C327 G329 I330 E331 Q335 A336 Y337 | F253-V333 HydrophobicContact CB-CG1 4.3Å; F253-V333 HydrophobicContact CD1-CG1 4.29Å; F253-V333 HydrophobicContact CD2-CG1 4.05Å; F253-V333 HydrophobicContact CD2-CG2 4.03Å; F253-V333 HydrophobicContact CE2-CG1 4.49Å; F253-V333 HydrophobicContact CE2-CG2 4.07Å; F253-V333 HydrophobicContact CG-CG1 3.95Å; I285-V333 HydrophobicContact CD1-CG1 4.31Å; I285-V333 HydrophobicContact CG2-CB 4.4Å; I285-V333 HydrophobicContact CG2-CG1 3.7Å; F301-V333 HydrophobicContact CB-CG2 3.52Å; F301-V333 HydrophobicContact CD2-CG2 4.43Å; F301-V333 HydrophobicContact CG-CG2 4.19Å; V303-V333 HydrophobicContact CG2-CB 4.05Å; V303-V333 HydrophobicContact CG2-CG1 3.72Å; V303-V333 HydrophobicContact CG2-CG2 3.84Å; C327-V333 HydrophobicContact CB-CG2 3.8Å; G329-V333 PolarHBondContact O-N 2.8Å; I330-V333 WeakPolarHBondContact O-CB 3.33Å; I330-V333 PolarHBondContact O-N 3.36Å; I330-V333 VanDerWaalsContact O-N 3.14Å; E331-V333 VanDerWaalsContact C-N 3.34Å; E331-V333 PolarHBondContact O-N 2.82Å; V333-Q335 VanDerWaalsContact C-N 3.34Å; V333-Q335 PolarHBondContact O-N 2.92Å; V333-A336 PolarHBondContact O-N 3.12Å; V333-Y337 WeakPolarHBondContact O-CB 3.46Å; V333-Y337 PolarHBondContact O-N 3.15Å |
| 334 | L | 94.9 | Very high | 88.8 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 178.6 | -68.6 | 169.8 | 0 | 0 | 0 | 111.9 | Q282 I285 R286 I330 E331 G338 | Q282-L334 HydrophobicContact CB-CD2 3.95Å; Q282-L334 HydrophobicContact CG-CD2 3.92Å; I285-L334 HydrophobicContact CB-CD2 4.13Å; I285-L334 HydrophobicContact CD1-CD2 4.11Å; I285-L334 HydrophobicContact CG2-CD2 3.83Å; I285-L334 HydrophobicContact CG2-CG 4.17Å; R286-L334 HydrophobicContact CG-CD1 4.11Å; I330-L334 HydrophobicContact CG2-CD1 4.41Å; I330-L334 WeakPolarHBondContact O-CG 3.34Å; I330-L334 PolarHBondContact O-N 2.82Å; E331-L334 PolarHBondContact O-N 2.96Å; L334-G338 PolarHBondContact O-N 2.95Å |
| 335 | Q | 93.4 | Very high | 90.3 | Very high | 142 Ų | 142 | 55 Ų | 55 | 66% | 0.664 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66.2 | -43.7 | 175.6 | -176.9 | -179.9 | -20.4 | 0 | 0 | 111.8 | E331 G332 V333 G338 T339 | E331-Q335 WeakPolarHBondContact O-CB 3.24Å; E331-Q335 PolarHBondContact O-N 2.9Å; G332-Q335 PolarHBondContact O-N 2.64Å; V333-Q335 VanDerWaalsContact C-N 3.34Å; V333-Q335 PolarHBondContact O-N 2.92Å; Q335-G338 PolarHBondContact O-N 2.77Å; Q335-T339 VanDerWaalsContact O-CB 3.32Å; Q335-T339 WeakPolarHBondContact O-CB 2.96Å; Q335-T339 PolarHBondContact O-N 3.31Å; Q335-T339 PolarHBondContact O-OG1 3.26Å |
| 336 | A | 93.2 | Very high | 91.6 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 5% | 0.05 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P322 C327 G332 V333 T339 C340 | P322-A336 HydrophobicContact CG-CB 4.49Å; C327-A336 WeakPolarHBondContact SG-CB 3.25Å; G332-A336 WeakPolarHBondContact O-CB 3.16Å; G332-A336 PolarHBondContact O-N 3.09Å; V333-A336 PolarHBondContact O-N 3.12Å; A336-T339 PolarHBondContact O-N 3.09Å; A336-C340 WeakPolarHBondContact O-CB 3.47Å; A336-C340 PolarHBondContact O-N 3.24Å |
| 337 | Y | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.5 | -53.9 | 171.8 | 165.1 | -129.4 | 0 | 0 | 0 | 112.1 | I255 F257 H271 F273 Q282 I285 V333 T339 C340 L341 | I255-Y337 HydrophobicContact CD1-CD2 3.61Å; I255-Y337 HydrophobicContact CD1-CE2 4.49Å; I255-Y337 HydrophobicContact CD1-CG 3.77Å; I255-Y337 HydrophobicContact CG2-CD2 3.88Å; I255-Y337 HydrophobicContact CG2-CE2 3.82Å; F257-Y337 AromaticContact CE1-CD2 3.85Å; F257-Y337 HydrophobicContact CE1-CD2 3.85Å; F257-Y337 AromaticContact CE1-CE2 3.78Å; F257-Y337 HydrophobicContact CE1-CE2 3.78Å; F257-Y337 AromaticContact CZ-CD2 3.78Å; F257-Y337 HydrophobicContact CZ-CD2 3.78Å; F257-Y337 HydrophobicContact CZ-CE2 4.15Å; H271-Y337 AromaticContact ND1-CE2 3.78Å; H271-Y337 AromaticContact ND1-CZ 3.71Å; H271-Y337 PolarHBondContact ND1-OH 3.11Å; F273-Y337 HydrophobicContact CE1-CE1 4.47Å; F273-Y337 HydrophobicContact CE2-CD1 4.26Å; F273-Y337 AromaticContact CE2-CE1 3.65Å; F273-Y337 HydrophobicContact CE2-CE1 3.65Å; F273-Y337 AromaticContact CE2-CZ 3.89Å; F273-Y337 AromaticContact CZ-CD1 3.61Å; F273-Y337 HydrophobicContact CZ-CD1 3.61Å; F273-Y337 AromaticContact CZ-CE1 3.39Å; F273-Y337 HydrophobicContact CZ-CE1 3.39Å; F273-Y337 HydrophobicContact CZ-CG 4.44Å; Q282-Y337 HydrophobicContact CG-CD1 4.26Å; Q282-Y337 HydrophobicContact CG-CE1 3.86Å; I285-Y337 HydrophobicContact CD1-CD1 4.24Å; I285-Y337 HydrophobicContact CD1-CG 4.44Å; V333-Y337 WeakPolarHBondContact O-CB 3.46Å; V333-Y337 PolarHBondContact O-N 3.15Å; Y337-T339 VanDerWaalsContact C-N 3.32Å; Y337-T339 PolarHBondContact O-N 3.17Å; Y337-C340 WeakPolarHBondContact O-CB 3.4Å; Y337-C340 PolarHBondContact O-N 3.43Å; Y337-L341 PolarHBondContact O-N 3.44Å |
| 338 | G | 94.1 | Very high | 92.7 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F273 L334 Q335 | F273-G338 VanDerWaalsContact CZ-CA 3.5Å; L334-G338 PolarHBondContact O-N 2.95Å; Q335-G338 PolarHBondContact O-N 2.77Å |
| 339 | T | 92.2 | Very high | 93 | Very high | 39 Ų | 39 | 47 Ų | 47 | 24% | 0.239 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.6 | -40.7 | 176.4 | -58 | 0 | 0 | 0 | 0 | 111.6 | T323 Q335 A336 Y337 Q342 K343 | T323-T339 HydrophobicContact CG2-CG2 4.07Å; Q335-T339 VanDerWaalsContact O-CB 3.32Å; Q335-T339 WeakPolarHBondContact O-CB 2.96Å; Q335-T339 PolarHBondContact O-N 3.31Å; Q335-T339 PolarHBondContact O-OG1 3.26Å; A336-T339 PolarHBondContact O-N 3.09Å; Y337-T339 VanDerWaalsContact C-N 3.32Å; Y337-T339 PolarHBondContact O-N 3.17Å; T339-Q342 PolarHBondContact O-N 3.03Å; T339-K343 HydrophobicContact CG2-CD 4.33Å |
| 340 | C | 91.9 | Very high | 93 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.9 | -49.4 | 178.2 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | F257 P322 A336 Y337 Q342 K343 I344 | F257-C340 HydrophobicContact CZ-CB 3.95Å; F257-C340 VanDerWaalsContact CZ-SG 3.57Å; P322-C340 HydrophobicContact CB-CB 3.45Å; P322-C340 VanDerWaalsContact CB-CB 3.45Å; P322-C340 HydrophobicContact CG-CB 4.41Å; A336-C340 WeakPolarHBondContact O-CB 3.47Å; A336-C340 PolarHBondContact O-N 3.24Å; Y337-C340 WeakPolarHBondContact O-CB 3.4Å; Y337-C340 PolarHBondContact O-N 3.43Å; C340-Q342 PolarHBondContact O-N 2.99Å; C340-Q342 VanDerWaalsContact O-N 3.07Å; C340-K343 PolarHBondContact O-N 3.38Å; C340-I344 WeakPolarHBondContact O-CG1 3.46Å; C340-I344 PolarHBondContact O-N 2.9Å |
| 341 | L | 92.9 | Very high | 93.1 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 9% | 0.094 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.5 | -27.6 | -176.1 | -170.9 | 66.1 | 0 | 0 | 0 | 112.9 | F257 P264 H271 F273 Y337 L346 | F257-L341 HydrophobicContact CD1-CD1 3.74Å; F257-L341 HydrophobicContact CE1-CB 4.15Å; F257-L341 HydrophobicContact CE1-CD1 3.8Å; P264-L341 HydrophobicContact CB-CD1 4.25Å; P264-L341 HydrophobicContact CB-CD2 3.9Å; P264-L341 HydrophobicContact CB-CG 4.13Å; P264-L341 HydrophobicContact CG-CD1 3.72Å; P264-L341 HydrophobicContact CG-CD2 4.3Å; P264-L341 HydrophobicContact CG-CG 4.09Å; H271-L341 HydrophobicContact CB-CD1 4.1Å; H271-L341 HydrophobicContact CB-CD2 3.8Å; F273-L341 HydrophobicContact CD2-CD2 3.93Å; F273-L341 HydrophobicContact CE2-CD2 3.54Å; Y337-L341 PolarHBondContact O-N 3.44Å; L341-L346 HydrophobicContact CD1-CD2 4.08Å |
| 342 | Q | 91.2 | Very high | 93.2 | Very high | 169 Ų | 169 | 43.1 Ų | 43.1 | 79% | 0.79 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -18.1 | 176.8 | -65.1 | 178.8 | -0.4 | 0 | 0 | 114.1 | T339 C340 | T339-Q342 PolarHBondContact O-N 3.03Å; C340-Q342 PolarHBondContact O-N 2.99Å; C340-Q342 VanDerWaalsContact O-N 3.07Å |
| 343 | K | 90.1 | Very high | 93.3 | Very high | 120 Ų | 120 | 42.8 Ų | 42.8 | 52% | 0.522 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -8 | -172.5 | -66.1 | 177.6 | -178.3 | 176.9 | 0 | 113.6 | T339 C340 | T339-K343 HydrophobicContact CG2-CD 4.33Å; C340-K343 PolarHBondContact O-N 3.38Å |
| 344 | I | 92.1 | Very high | 93.5 | Very high | 19 Ų | 19 | 44.7 Ų | 44.7 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 162 | -175.1 | 63.8 | 83.7 | 0 | 0 | 0 | 111 | F257 A308 L310 F320 C340 L346 | F257-I344 HydrophobicContact CB-CD1 4.05Å; F257-I344 HydrophobicContact CD1-CD1 3.97Å; F257-I344 HydrophobicContact CD1-CG1 4.37Å; F257-I344 HydrophobicContact CG-CD1 4.2Å; A308-I344 HydrophobicContact CB-CB 4.04Å; A308-I344 HydrophobicContact CB-CD1 3.91Å; A308-I344 HydrophobicContact CB-CG1 4.23Å; L310-I344 HydrophobicContact CD2-CB 4.48Å; L310-I344 HydrophobicContact CD2-CG2 3.58Å; F320-I344 HydrophobicContact CE2-CG2 4.23Å; F320-I344 HydrophobicContact CZ-CG2 4.39Å; C340-I344 WeakPolarHBondContact O-CG1 3.46Å; C340-I344 PolarHBondContact O-N 2.9Å; I344-L346 HydrophobicContact CD1-CD2 3.68Å; I344-L346 HydrophobicContact CD1-CG 4.42Å |
| 345 | W | 93.9 | Very high | 93.5 | Very high | 150 Ų | 150 | 44 Ų | 44 | 57% | 0.568 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.3 | 164.7 | -61.5 | -87.1 | 0 | 0 | 0 | 108.9 | A308 R309 A311 A347 | A308-W345 WeakPolarHBondContact CA-O 3.43Å; R309-W345 HydrophobicContact CB-CB 4.27Å; R309-W345 HydrophobicContact CB-CE3 4.43Å; R309-W345 PolarHBondContact N-O 2.65Å; R309-W345 PolarHBondContact O-N 3.4Å; R309-W345 VanDerWaalsContact O-N 3.08Å; A311-W345 HydrophobicContact CB-CH2 4.12Å; A311-W345 HydrophobicContact CB-CZ3 3.89Å; W345-A347 PolarHBondContact O-N 3.44Å |
| 346 | L | 94.4 | Very high | 93.7 | Very high | 40 Ų | 40 | 37.2 Ų | 37.2 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 135 | 175.2 | -55.3 | -179.6 | 0 | 0 | 0 | 109.9 | F257 A259 G262 P264 L341 I344 | F257-L346 HydrophobicContact CB-CD2 3.92Å; F257-L346 HydrophobicContact CD1-CD2 4.23Å; F257-L346 WeakPolarHBondContact O-CA 3.44Å; F257-L346 WeakPolarHBondContact O-CB 3.49Å; F257-L346 WeakPolarHBondContact O-CD2 3.34Å; A259-L346 HydrophobicContact CB-CB 4.33Å; G262-L346 WeakPolarHBondContact O-CD1 3.22Å; P264-L346 HydrophobicContact CG-CD1 3.84Å; P264-L346 HydrophobicContact CG-CG 4.35Å; L341-L346 HydrophobicContact CD1-CD2 4.08Å; I344-L346 HydrophobicContact CD1-CD2 3.68Å; I344-L346 HydrophobicContact CD1-CG 4.42Å |
| 347 | A | 93.1 | Very high | 93.9 | Very high | 10 Ų | 10 | 40 Ų | 40 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -144 | -165.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F257 T258 A259 G307 R309 V316 W345 | F257-A347 PolarHBondContact O-N 2.86Å; T258-A347 CarbonylContact C-O 3.26Å; T258-A347 WeakPolarHBondContact CA-O 3.13Å; T258-A347 VanDerWaalsContact CB-O 3.27Å; T258-A347 WeakPolarHBondContact CB-O 3.4Å; A259-A347 PolarHBondContact N-O 3.3Å; G307-A347 CarbonylContact O-C 3.57Å; G307-A347 VanDerWaalsContact O-CA 3.27Å; G307-A347 WeakPolarHBondContact O-CA 3.48Å; G307-A347 WeakPolarHBondContact O-CB 3.4Å; G307-A347 PolarHBondContact O-N 3Å; R309-A347 HydrophobicContact CB-CB 4.46Å; R309-A347 HydrophobicContact CG-CB 3.79Å; V316-A347 HydrophobicContact CG2-CB 4.37Å; W345-A347 PolarHBondContact O-N 3.44Å |
| 348 | G | 88.9 | Confident | 93.9 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | trans | -150.1 | 172.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 349 | P | 93.5 | Very high | 94 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 34% | 0.338 | 22% | 0.221 | S | C | . | . | cis | -85.7 | 178 | 6.7 | 33.8 | -39.5 | 0 | 0 | 0 | 115.6 | H318 H351 S384 | H318-P349 PolarHBondContact CE1-O 2.93Å; H318-P349 PolarHBondContact ND1-O 3.03Å; P349-H351 WeakPolarHBondContact CG-CE1 3.33Å; P349-H351 WeakPolarHBondContact CG-NE2 3.34Å; P349-H351 PolarHBondContact O-N 3.33Å; P349-S384 WeakPolarHBondContact CB-OG 3.15Å | ||
| 350 | T | 92.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | trans | -87.2 | 95.9 | 174.3 | -43.8 | 0 | 0 | 0 | 0 | 109.6 | F306 F352 V382 S384 | F306-T350 HydrophobicContact CE2-CG2 3.98Å; T350-F352 HydrophobicContact CG2-CD1 4.29Å; T350-F352 HydrophobicContact CG2-CE1 3.8Å; T350-V382 WeakPolarHBondContact CB-O 3.44Å; T350-V382 WeakPolarHBondContact CG2-O 3.31Å; T350-V382 PolarHBondContact OG1-O 3.02Å; T350-S384 PolarHBondContact N-OG 3.31Å; T350-S384 WeakPolarHBondContact O-CB 3.37Å; T350-S384 PolarHBondContact O-N 2.86Å | ||
| 351 | H | 95 | Very high | 94.5 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 22% | 0.218 | 24% | 0.239 | C | C | . | . | trans | -110.1 | 118.7 | -178.2 | -70.3 | 165.7 | 0 | 0 | 0 | 111.8 | H318 P349 P354 D385 | H318-H351 HydrophobicContact CB-CB 4.1Å; H318-H351 AromaticContact CD2-ND1 3.48Å; H318-H351 PolarHBondContact CD2-ND1 3.34Å; H318-H351 AromaticContact CE1-CG 3.97Å; H318-H351 AromaticContact CE1-ND1 3.58Å; H318-H351 AromaticContact CG-ND1 3.89Å; H318-H351 AromaticContact ND1-ND1 3.94Å; H318-H351 AromaticContact NE2-CE1 3.98Å; H318-H351 AromaticContact NE2-ND1 3.25Å; H318-H351 PolarHBondContact NE2-ND1 2.79Å; P349-H351 WeakPolarHBondContact CG-CE1 3.33Å; P349-H351 WeakPolarHBondContact CG-NE2 3.34Å; P349-H351 PolarHBondContact O-N 3.33Å; H351-P354 HydrophobicContact CB-CG 4.23Å; H351-D385 WeakPolarHBondContact CA-OD1 3.46Å; H351-D385 WeakPolarHBondContact CA-OD2 3.43Å; H351-D385 WeakPolarHBondContact CB-OD2 3.34Å; H351-D385 VanDerWaalsContact CD2-CB 3.43Å; H351-D385 WeakPolarHBondContact CD2-CB 3.4Å; H351-D385 IonicContact CD2-OD1 3.89Å; H351-D385 IonicContact CD2-OD2 2.73Å; H351-D385 IonicContact CG-OD2 3.29Å | ||
| 352 | F | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -95 | -27.9 | 179.5 | -78.6 | 13.1 | 0 | 0 | 0 | 112.7 | F306 T350 P354 I355 I356 I377 T379 I383 D385 T389 I405 | F306-F352 AromaticContact CE2-CD1 3.98Å; F306-F352 HydrophobicContact CE2-CD1 3.98Å; F306-F352 AromaticContact CE2-CE1 3.59Å; F306-F352 HydrophobicContact CE2-CE1 3.59Å; F306-F352 HydrophobicContact CZ-CD1 4.2Å; F306-F352 AromaticContact CZ-CE1 3.65Å; F306-F352 HydrophobicContact CZ-CE1 3.65Å; T350-F352 HydrophobicContact CG2-CD1 4.29Å; T350-F352 HydrophobicContact CG2-CE1 3.8Å; F352-P354 VanDerWaalsContact C-CD 3.46Å; F352-I355 VanDerWaalsContact O-CG2 3.25Å; F352-I355 WeakPolarHBondContact O-CG2 3.46Å; F352-I355 PolarHBondContact O-N 3.15Å; F352-I356 HydrophobicContact CB-CD1 4.04Å; F352-I356 WeakPolarHBondContact O-CG1 3.15Å; F352-I356 PolarHBondContact O-N 3.07Å; F352-I377 HydrophobicContact CD1-CG2 4.33Å; F352-I377 HydrophobicContact CD2-CD1 4.23Å; F352-I377 HydrophobicContact CD2-CG2 4.47Å; F352-I377 HydrophobicContact CE1-CG2 3.78Å; F352-I377 HydrophobicContact CE2-CD1 4.5Å; F352-I377 HydrophobicContact CE2-CG2 3.93Å; F352-I377 HydrophobicContact CG-CD1 4.5Å; F352-I377 HydrophobicContact CZ-CG2 3.54Å; F352-T379 HydrophobicContact CE1-CG2 4.45Å; F352-T379 HydrophobicContact CZ-CG2 3.62Å; F352-I383 HydrophobicContact CD2-CD1 4.05Å; F352-I383 HydrophobicContact CD2-CG1 4.07Å; F352-I383 HydrophobicContact CE2-CD1 4.02Å; F352-I383 HydrophobicContact CE2-CG1 3.96Å; F352-I383 HydrophobicContact CZ-CG1 4.31Å; F352-D385 PolarHBondContact N-OD1 3.44Å; F352-D385 PolarHBondContact N-OD2 3.35Å; F352-T389 HydrophobicContact CB-CG2 3.69Å; F352-T389 HydrophobicContact CD2-CG2 4.3Å; F352-T389 HydrophobicContact CG-CG2 4.49Å; F352-I405 HydrophobicContact CE2-CD1 4.17Å; F352-I405 HydrophobicContact CE2-CG2 4.18Å | ||
| 353 | A | 96.8 | Very high | 94.8 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.6 | -44.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | I355 I356 S357 D385 K388 T389 A392 | A353-I355 PolarHBondContact O-N 3.3Å; A353-I356 PolarHBondContact O-N 3.13Å; A353-S357 WeakPolarHBondContact O-CB 3.17Å; A353-S357 PolarHBondContact O-N 2.99Å; A353-S357 PolarHBondContact O-OG 3.2Å; A353-S357 VanDerWaalsContact O-OG 3.06Å; A353-D385 VanDerWaalsContact CB-OD2 3.22Å; A353-D385 WeakPolarHBondContact CB-OD2 3.47Å; A353-D385 PolarHBondContact N-OD2 3.46Å; A353-K388 HydrophobicContact CB-CB 3.61Å; A353-T389 PolarHBondContact N-OG1 3.24Å; A353-A392 HydrophobicContact CB-CB 4.29Å |
| 354 | P | 96.6 | Very high | 95.1 | Very high | 40 Ų | 40 | 38.4 Ų | 38.4 | 26% | 0.26 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.8 | -43.7 | -179.8 | -25.1 | 37.1 | 0 | 0 | 0 | 112.9 | H318 D319 H351 F352 S357 H358 | H318-P354 HydrophobicContact CB-CB 4.11Å; H318-P354 HydrophobicContact CB-CG 3.9Å; D319-P354 HydrophobicContact CB-CB 4.2Å; H351-P354 HydrophobicContact CB-CG 4.23Å; F352-P354 VanDerWaalsContact C-CD 3.46Å; P354-S357 PolarHBondContact O-N 3.07Å; P354-H358 WeakPolarHBondContact O-CB 3.03Å; P354-H358 PolarHBondContact O-N 3.1Å |
| 355 | I | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.5 | -39.5 | -176.4 | -160.7 | 68.6 | 0 | 0 | 0 | 112.4 | A254 L304 D319 F352 A353 H358 V359 I377 | A254-I355 HydrophobicContact CB-CD1 4.48Å; A254-I355 HydrophobicContact CB-CG1 3.74Å; L304-I355 HydrophobicContact CB-CD1 3.44Å; L304-I355 VanDerWaalsContact CB-CD1 3.44Å; L304-I355 HydrophobicContact CB-CG1 4.44Å; L304-I355 HydrophobicContact CD1-CD1 3.4Å; L304-I355 HydrophobicContact CD1-CG1 4.21Å; L304-I355 HydrophobicContact CD2-CD1 4.49Å; L304-I355 HydrophobicContact CG-CD1 3.91Å; D319-I355 HydrophobicContact CB-CD1 4.14Å; F352-I355 VanDerWaalsContact O-CG2 3.25Å; F352-I355 WeakPolarHBondContact O-CG2 3.46Å; F352-I355 PolarHBondContact O-N 3.15Å; A353-I355 PolarHBondContact O-N 3.3Å; I355-H358 WeakPolarHBondContact O-CB 3.28Å; I355-H358 PolarHBondContact O-N 3.46Å; I355-V359 PolarHBondContact O-N 3.39Å; I355-I377 HydrophobicContact CG2-CD1 4.13Å |
| 356 | I | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -48.3 | 175 | -65.9 | 170.5 | 0 | 0 | 0 | 109.5 | F352 A353 H358 V359 A360 L375 I377 T389 A392 I393 A396 L403 | F352-I356 HydrophobicContact CB-CD1 4.04Å; F352-I356 WeakPolarHBondContact O-CG1 3.15Å; F352-I356 PolarHBondContact O-N 3.07Å; A353-I356 PolarHBondContact O-N 3.13Å; I356-H358 VanDerWaalsContact C-N 3.28Å; I356-H358 PolarHBondContact O-N 3.09Å; I356-V359 PolarHBondContact O-N 2.93Å; I356-A360 WeakPolarHBondContact O-CB 3.11Å; I356-A360 PolarHBondContact O-N 3.05Å; I356-L375 HydrophobicContact CG1-CD2 4.35Å; I356-I377 HydrophobicContact CD1-CD1 4.32Å; I356-I377 HydrophobicContact CG1-CD1 3.99Å; I356-T389 HydrophobicContact CD1-CG2 3.99Å; I356-A392 HydrophobicContact CB-CB 4.13Å; I356-A392 HydrophobicContact CG2-CB 3.84Å; I356-I393 HydrophobicContact CD1-CD1 4.28Å; I356-I393 HydrophobicContact CD1-CG1 3.93Å; I356-A396 HydrophobicContact CG2-CB 4.37Å; I356-L403 HydrophobicContact CD1-CD1 4.12Å; I356-L403 HydrophobicContact CG1-CD1 4.27Å; I356-L403 HydrophobicContact CG1-CD2 4.48Å; I356-L403 HydrophobicContact CG2-CD1 4.06Å |
| 357 | S | 97.5 | Very high | 95.4 | Very high | 64 Ų | 64 | 38 Ų | 38 | 45% | 0.448 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.9 | -35.9 | 177.1 | -66 | 0 | 0 | 0 | 0 | 112.7 | A353 P354 R361 | A353-S357 WeakPolarHBondContact O-CB 3.17Å; A353-S357 PolarHBondContact O-N 2.99Å; A353-S357 PolarHBondContact O-OG 3.2Å; A353-S357 VanDerWaalsContact O-OG 3.06Å; P354-S357 PolarHBondContact O-N 3.07Å; S357-R361 WeakPolarHBondContact O-CB 3.36Å; S357-R361 PolarHBondContact O-N 3.37Å |
| 358 | H | 94.9 | Very high | 95.5 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 22% | 0.222 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.2 | -53.6 | 176 | -172.9 | 122.9 | 0 | 0 | 0 | 111.2 | D319 P354 I355 I356 R361 L362 | D319-H358 IonicContact OD2-ND1 3.83Å; P354-H358 WeakPolarHBondContact O-CB 3.03Å; P354-H358 PolarHBondContact O-N 3.1Å; I355-H358 WeakPolarHBondContact O-CB 3.28Å; I355-H358 PolarHBondContact O-N 3.46Å; I356-H358 VanDerWaalsContact C-N 3.28Å; I356-H358 PolarHBondContact O-N 3.09Å; H358-R361 WeakPolarHBondContact O-CB 3.35Å; H358-R361 PolarHBondContact O-N 2.76Å; H358-L362 PolarHBondContact O-N 2.87Å |
| 359 | V | 95.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.6 | -36.2 | -177.5 | -179 | 0 | 0 | 0 | 0 | 111.3 | A252 L304 I355 I356 R361 L362 A363 F373 L375 L401 | A252-V359 HydrophobicContact CB-CG2 4.39Å; L304-V359 HydrophobicContact CD1-CG2 4.09Å; I355-V359 PolarHBondContact O-N 3.39Å; I356-V359 PolarHBondContact O-N 2.93Å; V359-R361 VanDerWaalsContact C-N 3.27Å; V359-R361 PolarHBondContact O-N 2.91Å; V359-L362 WeakPolarHBondContact O-CB 3.24Å; V359-L362 PolarHBondContact O-N 2.99Å; V359-A363 PolarHBondContact O-N 3.13Å; V359-F373 HydrophobicContact CG1-CB 4.34Å; V359-F373 HydrophobicContact CG1-CD1 4.38Å; V359-L375 HydrophobicContact CB-CD2 4.12Å; V359-L375 HydrophobicContact CG1-CB 4.34Å; V359-L375 HydrophobicContact CG2-CD1 4.01Å; V359-L375 HydrophobicContact CG2-CD2 3.9Å; V359-L375 HydrophobicContact CG2-CG 4.36Å; V359-L401 HydrophobicContact CG1-CD1 3.8Å; V359-L401 HydrophobicContact CG1-CD2 4.39Å |
| 360 | A | 97.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.6 | -42.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I356 L362 A363 S364 A396 L399 L401 | I356-A360 WeakPolarHBondContact O-CB 3.11Å; I356-A360 PolarHBondContact O-N 3.05Å; A360-L362 VanDerWaalsContact C-N 3.31Å; A360-L362 PolarHBondContact O-N 3.01Å; A360-A363 PolarHBondContact O-N 3.15Å; A360-S364 PolarHBondContact O-N 3.17Å; A360-A396 HydrophobicContact CB-CB 4.21Å; A360-L399 HydrophobicContact CB-CD1 3.76Å; A360-L399 VanDerWaalsContact O-CD1 3.29Å; A360-L399 WeakPolarHBondContact O-CD1 3.41Å; A360-L401 HydrophobicContact CB-CD2 4.17Å |
| 361 | R | 96.7 | Very high | 95.9 | Very high | 143 Ų | 143 | 39 Ų | 39 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.8 | -38.8 | 175 | -176 | -173.9 | 58.2 | 72.3 | 5.8 | 112.1 | S357 H358 V359 S364 | S357-R361 WeakPolarHBondContact O-CB 3.36Å; S357-R361 PolarHBondContact O-N 3.37Å; H358-R361 WeakPolarHBondContact O-CB 3.35Å; H358-R361 PolarHBondContact O-N 2.76Å; V359-R361 VanDerWaalsContact C-N 3.27Å; V359-R361 PolarHBondContact O-N 2.91Å; R361-S364 PolarHBondContact O-OG 3.17Å |
| 362 | L | 94 | Very high | 95.9 | Very high | 62 Ų | 62 | 36.7 Ų | 36.7 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.1 | -41.9 | 175.5 | -59.3 | 176 | 0 | 0 | 0 | 111.5 | H358 V359 A360 S364 A365 H366 F373 | H358-L362 PolarHBondContact O-N 2.87Å; V359-L362 WeakPolarHBondContact O-CB 3.24Å; V359-L362 PolarHBondContact O-N 2.99Å; A360-L362 VanDerWaalsContact C-N 3.31Å; A360-L362 PolarHBondContact O-N 3.01Å; L362-S364 VanDerWaalsContact C-N 3.34Å; L362-S364 PolarHBondContact O-N 3.22Å; L362-A365 PolarHBondContact O-N 3.5Å; L362-H366 PolarHBondContact O-ND1 2.67Å; L362-F373 HydrophobicContact CB-CE1 4.04Å; L362-F373 HydrophobicContact CB-CZ 4.35Å |
| 363 | A | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -36.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V359 A360 A365 H366 F373 L399 P400 L401 | V359-A363 PolarHBondContact O-N 3.13Å; A360-A363 PolarHBondContact O-N 3.15Å; A363-A365 PolarHBondContact O-N 3.31Å; A363-H366 PolarHBondContact O-N 3.37Å; A363-F373 HydrophobicContact CB-CB 4.27Å; A363-F373 HydrophobicContact CB-CD2 3.66Å; A363-F373 HydrophobicContact CB-CE2 4.21Å; A363-F373 HydrophobicContact CB-CG 4.01Å; A363-L399 HydrophobicContact CB-CB 4.31Å; A363-P400 HydrophobicContact CB-CG 4.2Å; A363-P400 WeakPolarHBondContact O-CG 3.37Å; A363-L401 HydrophobicContact CB-CB 4.2Å |
| 364 | S | 97.1 | Very high | 95.9 | Very high | 61 Ų | 61 | 37 Ų | 37 | 43% | 0.427 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -17 | 179.7 | 71.8 | 0 | 0 | 0 | 0 | 114.9 | A360 R361 L362 H366 M367 | A360-S364 PolarHBondContact O-N 3.17Å; R361-S364 PolarHBondContact O-OG 3.17Å; L362-S364 VanDerWaalsContact C-N 3.34Å; L362-S364 PolarHBondContact O-N 3.22Å; S364-H366 VanDerWaalsContact C-N 3.33Å; S364-M367 WeakPolarHBondContact O-CG 3.36Å |
| 365 | A | 95.7 | Very high | 96 | Very high | 75 Ų | 75 | 35 Ų | 35 | 62% | 0.62 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L362 A363 | L362-A365 PolarHBondContact O-N 3.5Å; A363-A365 PolarHBondContact O-N 3.31Å |
| 366 | H | 95.2 | Very high | 96 | Very high | 57 Ų | 57 | 35 Ų | 35 | 26% | 0.264 | 19% | 0.192 | S | C | . | . | trans | -126.9 | 46.4 | -169.9 | -59.3 | 85.4 | 0 | 0 | 0 | 112.7 | L362 A363 S364 D368 K371 F373 P400 | L362-H366 PolarHBondContact O-ND1 2.67Å; A363-H366 PolarHBondContact O-N 3.37Å; S364-H366 VanDerWaalsContact C-N 3.33Å; H366-D368 PolarHBondContact O-N 3.32Å; H366-K371 HydrophobicContact CB-CB 3.96Å; H366-F373 HydrophobicContact CB-CE2 4.15Å; H366-F373 AromaticContact ND1-CE2 3.66Å; H366-F373 AromaticContact ND1-CZ 3.71Å; H366-P400 WeakPolarHBondContact O-CG 3.29Å | ||
| 367 | M | 96 | Very high | 96 | Very high | 68 Ų | 68 | 35 Ų | 35 | 34% | 0.335 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -5.2 | -173.9 | -62.5 | -63 | -66.5 | 0 | 0 | 114.8 | S364 L399 P400 F477 K481 I483 | S364-M367 WeakPolarHBondContact O-CG 3.36Å; M367-L399 HydrophobicContact CE-CD2 4.29Å; M367-L399 HydrophobicContact SD-CD2 3.74Å; M367-P400 VanDerWaalsContact SD-CD 3.58Å; M367-F477 HydrophobicContact CE-CE2 4.13Å; M367-K481 HydrophobicContact CE-CD 4.43Å; M367-I483 WeakPolarHBondContact O-CD1 3.42Å |
| 368 | D | 95 | Very high | 96 | Very high | 68 Ų | 68 | 32 Ų | 32 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -1.9 | -175.5 | 55.3 | 18.2 | 0 | 0 | 0 | 114.2 | H366 S370 M491 | H366-D368 PolarHBondContact O-N 3.32Å; D368-S370 VanDerWaalsContact C-N 3.32Å; D368-S370 WeakPolarHBondContact OD1-CB 3.26Å; D368-S370 PolarHBondContact OD1-N 2.95Å; D368-S370 PolarHBondContact OD1-OG 2.88Å; D368-M491 HydrophobicContact CB-SD 4.21Å; D368-M491 WeakPolarHBondContact OD2-CE 3.48Å |
| 369 | G | 94.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 81.8 | 6.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T247 K371 | T247-G369 WeakPolarHBondContact CB-O 3.21Å; T247-G369 WeakPolarHBondContact CG2-O 3.24Å; T247-G369 PolarHBondContact OG1-O 3.43Å; G369-K371 VanDerWaalsContact C-N 3.3Å |
| 370 | S | 93.9 | Very high | 96 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 11% | 0.105 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -66.1 | -32.7 | 172.1 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | T247 H248 D368 | T247-S370 WeakPolarHBondContact CA-O 3.28Å; H248-S370 PolarHBondContact CD2-O 3.2Å; H248-S370 PolarHBondContact N-O 2.9Å; D368-S370 VanDerWaalsContact C-N 3.32Å; D368-S370 WeakPolarHBondContact OD1-CB 3.26Å; D368-S370 PolarHBondContact OD1-N 2.95Å; D368-S370 PolarHBondContact OD1-OG 2.88Å |
| 371 | K | 94.7 | Very high | 95.1 | Very high | 46 Ų | 46 | 30.1 Ų | 30.1 | 20% | 0.2 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 137.5 | -178 | -165.5 | 166 | -174.6 | 166.1 | 0 | 111.1 | H248 S250 H366 G369 F373 | H248-K371 HydrophobicContact CB-CG 4.23Å; H248-K371 CarbonylContact O-C 3.55Å; H248-K371 WeakPolarHBondContact O-CA 3.39Å; S250-K371 WeakPolarHBondContact OG-CE 3.33Å; H366-K371 HydrophobicContact CB-CB 3.96Å; G369-K371 VanDerWaalsContact C-N 3.3Å; K371-F373 HydrophobicContact CB-CE2 4.28Å; K371-F373 HydrophobicContact CD-CE2 4.08Å; K371-F373 HydrophobicContact CD-CZ 3.8Å; K371-F373 HydrophobicContact CG-CD2 4.47Å; K371-F373 HydrophobicContact CG-CE2 3.85Å; K371-F373 HydrophobicContact CG-CZ 4.07Å |
| 372 | Y | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.1 | 176.6 | -165.6 | -85.8 | 0 | 0 | 0 | 110.3 | H248 L249 S250 I374 P400 S402 Q473 F474 F477 | H248-Y372 PolarHBondContact O-N 2.89Å; L249-Y372 WeakPolarHBondContact CA-O 3.36Å; S250-Y372 PolarHBondContact N-O 3.28Å; Y372-I374 HydrophobicContact CD1-CG1 4.45Å; Y372-P400 HydrophobicContact CD2-CB 3.7Å; Y372-P400 HydrophobicContact CE2-CB 4.15Å; Y372-P400 HydrophobicContact CG-CB 4.43Å; Y372-S402 VanDerWaalsContact CE1-OG 3.26Å; Y372-S402 WeakPolarHBondContact CE1-OG 3.24Å; Y372-S402 PolarHBondContact OH-OG 3.19Å; Y372-Q473 PolarHBondContact OH-O 3.29Å; Y372-F474 AromaticContact CD1-CD2 3.82Å; Y372-F474 HydrophobicContact CD1-CD2 3.82Å; Y372-F474 AromaticContact CD2-CD2 3.52Å; Y372-F474 HydrophobicContact CD2-CD2 3.52Å; Y372-F474 AromaticContact CD2-CE2 3.99Å; Y372-F474 HydrophobicContact CD2-CE2 3.99Å; Y372-F474 HydrophobicContact CD2-CG 4.3Å; Y372-F474 HydrophobicContact CE1-CB 4.4Å; Y372-F474 HydrophobicContact CE1-CD2 4.29Å; Y372-F474 HydrophobicContact CE2-CB 4.28Å; Y372-F474 HydrophobicContact CE2-CD2 4.02Å; Y372-F474 HydrophobicContact CE2-CG 4.4Å; Y372-F474 AromaticContact CG-CD2 3.41Å; Y372-F474 HydrophobicContact CG-CD2 3.41Å; Y372-F474 VanDerWaalsContact CG-CD2 3.41Å; Y372-F474 AromaticContact CG-CE2 3.84Å; Y372-F474 HydrophobicContact CG-CE2 3.84Å; Y372-F474 HydrophobicContact CG-CG 4.48Å; Y372-F477 HydrophobicContact CD2-CD1 4.25Å; Y372-F477 HydrophobicContact CE2-CB 3.86Å; Y372-F477 HydrophobicContact CE2-CD1 4.21Å; Y372-F477 HydrophobicContact CE2-CG 4.14Å |
| 373 | F | 96.7 | Very high | 94.3 | Very high | 13 Ų | 13 | 24.1 Ų | 24.1 | 6% | 0.057 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 140 | -172.4 | -68.3 | -100.2 | 0 | 0 | 0 | 111.1 | S250 V359 L362 A363 H366 K371 P400 L401 S402 | S250-F373 CarbonylContact O-C 3.54Å; S250-F373 WeakPolarHBondContact O-CA 3.04Å; V359-F373 HydrophobicContact CG1-CB 4.34Å; V359-F373 HydrophobicContact CG1-CD1 4.38Å; L362-F373 HydrophobicContact CB-CE1 4.04Å; L362-F373 HydrophobicContact CB-CZ 4.35Å; A363-F373 HydrophobicContact CB-CB 4.27Å; A363-F373 HydrophobicContact CB-CD2 3.66Å; A363-F373 HydrophobicContact CB-CE2 4.21Å; A363-F373 HydrophobicContact CB-CG 4.01Å; H366-F373 HydrophobicContact CB-CE2 4.15Å; H366-F373 AromaticContact ND1-CE2 3.66Å; H366-F373 AromaticContact ND1-CZ 3.71Å; K371-F373 HydrophobicContact CB-CE2 4.28Å; K371-F373 HydrophobicContact CD-CE2 4.08Å; K371-F373 HydrophobicContact CD-CZ 3.8Å; K371-F373 HydrophobicContact CG-CD2 4.47Å; K371-F373 HydrophobicContact CG-CE2 3.85Å; K371-F373 HydrophobicContact CG-CZ 4.07Å; F373-P400 PolarHBondContact N-O 2.74Å; F373-L401 HydrophobicContact CB-CD1 3.73Å; F373-L401 CarbonylContact O-C 3.35Å; F373-L401 WeakPolarHBondContact O-CA 3.41Å; F373-S402 PolarHBondContact O-N 2.88Å |
| 374 | I | 96.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 123 | 172.1 | -57.5 | 171.2 | 0 | 0 | 0 | 106.5 | S250 C251 A252 Y372 S402 I404 I470 | S250-I374 PolarHBondContact O-N 3.31Å; C251-I374 CarbonylContact C-O 3.56Å; C251-I374 WeakPolarHBondContact CA-O 3.45Å; A252-I374 PolarHBondContact N-O 3.19Å; Y372-I374 HydrophobicContact CD1-CG1 4.45Å; I374-S402 WeakPolarHBondContact CA-O 3.25Å; I374-I404 HydrophobicContact CG2-CD1 3.6Å; I374-I404 HydrophobicContact CG2-CG1 4.11Å; I374-I470 HydrophobicContact CD1-CG2 3.83Å; I374-I470 HydrophobicContact CG1-CD1 4.49Å; I374-I470 HydrophobicContact CG1-CG2 4.43Å; I374-I470 HydrophobicContact CG2-CD1 4.3Å |
| 375 | L | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 111.6 | 172.9 | 174.2 | 55.9 | 0 | 0 | 0 | 109.2 | A252 A254 I356 V359 I377 L401 S402 L403 I404 | A252-L375 HydrophobicContact CB-CD1 4.1Å; A254-L375 HydrophobicContact CB-CD1 3.8Å; I356-L375 HydrophobicContact CG1-CD2 4.35Å; V359-L375 HydrophobicContact CB-CD2 4.12Å; V359-L375 HydrophobicContact CG1-CB 4.34Å; V359-L375 HydrophobicContact CG2-CD1 4.01Å; V359-L375 HydrophobicContact CG2-CD2 3.9Å; V359-L375 HydrophobicContact CG2-CG 4.36Å; L375-I377 HydrophobicContact CD1-CG1 4.42Å; L375-I377 HydrophobicContact CD2-CD1 4.13Å; L375-I377 HydrophobicContact CD2-CG1 4.14Å; L375-I377 HydrophobicContact CG-CD1 4.37Å; L375-I377 HydrophobicContact CG-CG1 3.87Å; L375-L401 HydrophobicContact CB-CD1 4.23Å; L375-S402 PolarHBondContact N-O 2.84Å; L375-L403 HydrophobicContact CB-CD2 3.77Å; L375-L403 HydrophobicContact CD2-CD2 3.9Å; L375-L403 HydrophobicContact CG-CD2 4.24Å; L375-I404 PolarHBondContact O-N 3.07Å |
| 376 | L | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.6 | 170.5 | 178.7 | 63.7 | 0 | 0 | 0 | 109.8 | A252 F253 A254 V288 I378 I404 V406 | A252-L376 PolarHBondContact O-N 3.3Å; F253-L376 HydrophobicContact CD1-CB 4.43Å; F253-L376 HydrophobicContact CD1-CD2 3.72Å; F253-L376 HydrophobicContact CE1-CD2 3.77Å; A254-L376 PolarHBondContact N-O 3.28Å; V288-L376 HydrophobicContact CB-CD2 3.77Å; V288-L376 HydrophobicContact CG1-CD2 4.16Å; V288-L376 HydrophobicContact CG2-CD1 3.97Å; V288-L376 HydrophobicContact CG2-CD2 3.7Å; V288-L376 HydrophobicContact CG2-CG 4.44Å; L376-I378 HydrophobicContact CD1-CG1 4.48Å; L376-I378 HydrophobicContact CD2-CD1 4.1Å; L376-I378 HydrophobicContact CD2-CG1 4.19Å; L376-I378 HydrophobicContact CG-CD1 4.41Å; L376-I378 HydrophobicContact CG-CG1 4Å; L376-I404 CarbonylContact C-O 3.59Å; L376-I404 WeakPolarHBondContact CA-O 3.12Å; L376-I404 HydrophobicContact CD1-CB 3.86Å; L376-I404 HydrophobicContact CD1-CG2 3.44Å; L376-I404 VanDerWaalsContact CD1-CG2 3.44Å; L376-V406 HydrophobicContact CD1-CB 4.48Å; L376-V406 HydrophobicContact CD1-CG2 3.64Å |
| 377 | I | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.9 | 173.7 | -53.1 | 179.9 | 0 | 0 | 0 | 108.3 | A254 F306 F352 I355 I356 L375 I404 I405 V406 | A254-I377 HydrophobicContact CB-CG1 4.13Å; A254-I377 WeakPolarHBondContact O-CA 3.46Å; F306-I377 HydrophobicContact CE1-CG2 3.89Å; F306-I377 HydrophobicContact CZ-CG2 3.74Å; F352-I377 HydrophobicContact CD1-CG2 4.33Å; F352-I377 HydrophobicContact CD2-CD1 4.23Å; F352-I377 HydrophobicContact CD2-CG2 4.47Å; F352-I377 HydrophobicContact CE1-CG2 3.78Å; F352-I377 HydrophobicContact CE2-CD1 4.5Å; F352-I377 HydrophobicContact CE2-CG2 3.93Å; F352-I377 HydrophobicContact CG-CD1 4.5Å; F352-I377 HydrophobicContact CZ-CG2 3.54Å; I355-I377 HydrophobicContact CG2-CD1 4.13Å; I356-I377 HydrophobicContact CD1-CD1 4.32Å; I356-I377 HydrophobicContact CG1-CD1 3.99Å; L375-I377 HydrophobicContact CD1-CG1 4.42Å; L375-I377 HydrophobicContact CD2-CD1 4.13Å; L375-I377 HydrophobicContact CD2-CG1 4.14Å; L375-I377 HydrophobicContact CG-CD1 4.37Å; L375-I377 HydrophobicContact CG-CG1 3.87Å; I377-I404 PolarHBondContact N-O 3.08Å; I377-I405 HydrophobicContact CB-CG1 4.43Å; I377-I405 CarbonylContact O-C 3.56Å; I377-I405 WeakPolarHBondContact O-CA 3.49Å; I377-V406 PolarHBondContact O-N 3.24Å |
| 378 | I | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125.4 | 176.8 | -50.3 | 163.7 | 0 | 0 | 0 | 107.9 | A254 D256 Y281 A284 I285 L376 V406 V408 | A254-I378 PolarHBondContact O-N 3.42Å; D256-I378 WeakPolarHBondContact CB-O 3.46Å; D256-I378 PolarHBondContact N-O 3.37Å; Y281-I378 HydrophobicContact CD1-CB 3.81Å; Y281-I378 HydrophobicContact CD1-CG2 3.41Å; Y281-I378 VanDerWaalsContact CD1-CG2 3.41Å; Y281-I378 HydrophobicContact CE1-CB 3.92Å; Y281-I378 HydrophobicContact CE1-CG2 3.57Å; Y281-I378 WeakPolarHBondContact CE1-O 3.33Å; Y281-I378 HydrophobicContact CG-CG2 4.06Å; A284-I378 HydrophobicContact CB-CD1 3.72Å; A284-I378 HydrophobicContact CB-CG1 3.97Å; A284-I378 HydrophobicContact CB-CG2 4.04Å; I285-I378 HydrophobicContact CD1-CD1 4.47Å; I285-I378 HydrophobicContact CG1-CD1 3.63Å; L376-I378 HydrophobicContact CD1-CG1 4.48Å; L376-I378 HydrophobicContact CD2-CD1 4.1Å; L376-I378 HydrophobicContact CD2-CG1 4.19Å; L376-I378 HydrophobicContact CG-CD1 4.41Å; L376-I378 HydrophobicContact CG-CG1 4Å; I378-V406 WeakPolarHBondContact CA-O 3.21Å; I378-V408 HydrophobicContact CG2-CG1 3.77Å; I378-V408 HydrophobicContact CG2-CG2 4.28Å |
| 379 | T | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 153.6 | -172.2 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | D256 F352 G381 I405 V406 G407 V408 M416 | D256-T379 WeakPolarHBondContact OD2-CA 3.11Å; D256-T379 VanDerWaalsContact OD2-CB 3.28Å; D256-T379 WeakPolarHBondContact OD2-CB 3.39Å; D256-T379 PolarHBondContact OD2-OG1 3.47Å; F352-T379 HydrophobicContact CE1-CG2 4.45Å; F352-T379 HydrophobicContact CZ-CG2 3.62Å; T379-G381 PolarHBondContact OG1-N 3.36Å; T379-I405 HydrophobicContact CG2-CG2 4.19Å; T379-V406 PolarHBondContact N-O 2.96Å; T379-V406 VanDerWaalsContact N-O 3.1Å; T379-G407 CarbonylContact O-C 3.58Å; T379-G407 WeakPolarHBondContact O-CA 3.33Å; T379-V408 VanDerWaalsContact O-CG2 3.31Å; T379-V408 WeakPolarHBondContact O-CG2 3.16Å; T379-V408 PolarHBondContact O-N 2.98Å; T379-M416 HydrophobicContact CG2-CE 3.37Å; T379-M416 HydrophobicContact CG2-SD 3.99Å |
| 380 | D | 93.7 | Very high | 94 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 8% | 0.075 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -94 | -9.1 | 179.4 | 69.3 | -45.7 | 0 | 0 | 0 | 115.4 | T258 S260 N261 L270 V408 G411 | T258-D380 PolarHBondContact OG1-OD1 2.97Å; S260-D380 WeakPolarHBondContact CB-OD2 3.48Å; S260-D380 PolarHBondContact OG-OD1 3.4Å; S260-D380 VanDerWaalsContact OG-OD1 3.08Å; S260-D380 PolarHBondContact OG-OD2 3.22Å; N261-D380 PolarHBondContact N-OD2 2.81Å; N261-D380 VanDerWaalsContact ND2-CG 3.27Å; N261-D380 PolarHBondContact ND2-OD1 3.48Å; N261-D380 WeakPolarHBondContact OD1-CB 3.39Å; L270-D380 HydrophobicContact CD1-CB 3.38Å; D380-V408 VanDerWaalsContact CA-O 3.26Å; D380-V408 WeakPolarHBondContact CA-O 3.43Å; D380-V408 HydrophobicContact CB-CG2 4.26Å; D380-G411 VanDerWaalsContact O-CA 3.32Å; D380-G411 WeakPolarHBondContact O-CA 3.41Å |
| 381 | G | 79 | Confident | 94.1 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 8% | 0.082 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 133.6 | 150.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T379 | T379-G381 PolarHBondContact OG1-N 3.36Š|
| 382 | V | 84.9 | Confident | 94.3 | Very high | 75 Ų | 75 | 25.6 Ų | 25.6 | 46% | 0.455 | 14% | 0.141 | S | C | . | . | trans | 76.6 | 116.6 | -179.2 | -167.6 | 0 | 0 | 0 | 0 | 115 | T350 | T350-V382 WeakPolarHBondContact CB-O 3.44Å; T350-V382 WeakPolarHBondContact CG2-O 3.31Å; T350-V382 PolarHBondContact OG1-O 3.02Å | ||
| 383 | I | 89.1 | Confident | 94.3 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | trans | -93.8 | 117.7 | 175.5 | -59.9 | 162.9 | 0 | 0 | 0 | 108.1 | F352 D385 M386 T389 E415 M416 L419 | F352-I383 HydrophobicContact CD2-CD1 4.05Å; F352-I383 HydrophobicContact CD2-CG1 4.07Å; F352-I383 HydrophobicContact CE2-CD1 4.02Å; F352-I383 HydrophobicContact CE2-CG1 3.96Å; F352-I383 HydrophobicContact CZ-CG1 4.31Å; I383-D385 WeakPolarHBondContact CG2-OD1 3.45Å; I383-M386 HydrophobicContact CD1-SD 4.22Å; I383-M386 HydrophobicContact CG2-CB 4.47Å; I383-T389 HydrophobicContact CG2-CG2 4.45Å; I383-E415 HydrophobicContact CD1-CB 4.19Å; I383-E415 PolarHBondContact N-OE2 2.86Å; I383-M416 HydrophobicContact CD1-CG 4.19Å; I383-L419 HydrophobicContact CD1-CD1 3.45Å; I383-L419 VanDerWaalsContact CD1-CD1 3.45Å; I383-L419 HydrophobicContact CD1-CG 4.31Å | ||
| 384 | S | 92.3 | Very high | 94.3 | Very high | 65 Ų | 65 | 25.6 Ų | 25.6 | 46% | 0.455 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -14.1 | -176.2 | -57.1 | 0 | 0 | 0 | 0 | 114 | P349 T350 | P349-S384 WeakPolarHBondContact CB-OG 3.15Å; T350-S384 PolarHBondContact N-OG 3.31Å; T350-S384 WeakPolarHBondContact O-CB 3.37Å; T350-S384 PolarHBondContact O-N 2.86Å |
| 385 | D | 94 | Very high | 94.3 | Very high | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 36.7 | -178.5 | 64.9 | -18.8 | 0 | 0 | 0 | 113.5 | H351 F352 A353 I383 P387 K388 T389 | H351-D385 WeakPolarHBondContact CA-OD1 3.46Å; H351-D385 WeakPolarHBondContact CA-OD2 3.43Å; H351-D385 WeakPolarHBondContact CB-OD2 3.34Å; H351-D385 VanDerWaalsContact CD2-CB 3.43Å; H351-D385 WeakPolarHBondContact CD2-CB 3.4Å; H351-D385 IonicContact CD2-OD1 3.89Å; H351-D385 IonicContact CD2-OD2 2.73Å; H351-D385 IonicContact CG-OD2 3.29Å; F352-D385 PolarHBondContact N-OD1 3.44Å; F352-D385 PolarHBondContact N-OD2 3.35Å; A353-D385 VanDerWaalsContact CB-OD2 3.22Å; A353-D385 WeakPolarHBondContact CB-OD2 3.47Å; A353-D385 PolarHBondContact N-OD2 3.46Å; I383-D385 WeakPolarHBondContact CG2-OD1 3.45Å; D385-P387 VanDerWaalsContact C-CD 3.5Å; D385-P387 VanDerWaalsContact O-N 3.1Å; D385-K388 HydrophobicContact CB-CB 4.32Å; D385-K388 PolarHBondContact O-N 3.32Å; D385-T389 VanDerWaalsContact CG-OG1 3.31Å; D385-T389 PolarHBondContact O-N 2.96Å; D385-T389 PolarHBondContact O-OG1 2.95Å; D385-T389 PolarHBondContact OD1-OG1 3.23Å |
| 386 | M | 94.2 | Very high | 94.3 | Very high | 23 Ų | 23 | 30 Ų | 30 | 11% | 0.113 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -44.7 | -48.1 | -173 | -172.7 | 62.3 | 168.4 | 0 | 0 | 114.7 | I383 K388 T389 Q390 E415 I418 L419 | I383-M386 HydrophobicContact CD1-SD 4.22Å; I383-M386 HydrophobicContact CG2-CB 4.47Å; M386-K388 VanDerWaalsContact C-N 3.33Å; M386-K388 PolarHBondContact O-N 3.01Å; M386-T389 PolarHBondContact O-N 3.31Å; M386-Q390 HydrophobicContact CE-CG 4.27Å; M386-Q390 VanDerWaalsContact O-CG 3.31Å; M386-Q390 WeakPolarHBondContact O-CG 3.14Å; M386-Q390 PolarHBondContact O-N 3.08Å; M386-Q390 HydrophobicContact SD-CG 4.35Å; M386-E415 HydrophobicContact CE-CB 4.2Å; M386-E415 HydrophobicContact SD-CB 4.27Å; M386-I418 HydrophobicContact CE-CB 4.01Å; M386-I418 HydrophobicContact CE-CG2 3.79Å; M386-L419 HydrophobicContact CE-CD2 3.49Å; M386-L419 VanDerWaalsContact CE-CD2 3.49Å; M386-L419 HydrophobicContact CE-CG 3.87Å; M386-L419 HydrophobicContact SD-CD1 4.46Å; M386-L419 HydrophobicContact SD-CD2 3.75Å; M386-L419 HydrophobicContact SD-CG 4.12Å |
| 387 | P | 94.7 | Very high | 94.3 | Very high | 80 Ų | 80 | 30 Ų | 30 | 52% | 0.519 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60 | -38.6 | 178 | -24 | 35 | 0 | 0 | 0 | 114.1 | D385 E391 | D385-P387 VanDerWaalsContact C-CD 3.5Å; D385-P387 VanDerWaalsContact O-N 3.1Å; P387-E391 WeakPolarHBondContact O-CG 3.45Å; P387-E391 PolarHBondContact O-N 3.28Å |
| 388 | K | 96.4 | Very high | 94.2 | Very high | 140 Ų | 140 | 31.9 Ų | 31.9 | 61% | 0.609 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -73.9 | -36.6 | 178.1 | -66.1 | -177.7 | 178.5 | 176.4 | 0 | 111.2 | A353 D385 M386 Q390 E391 A392 | A353-K388 HydrophobicContact CB-CB 3.61Å; D385-K388 HydrophobicContact CB-CB 4.32Å; D385-K388 PolarHBondContact O-N 3.32Å; M386-K388 VanDerWaalsContact C-N 3.33Å; M386-K388 PolarHBondContact O-N 3.01Å; K388-Q390 VanDerWaalsContact C-N 3.35Å; K388-E391 PolarHBondContact O-N 3.27Å; K388-A392 WeakPolarHBondContact O-CB 3.33Å; K388-A392 PolarHBondContact O-N 3.16Å |
| 389 | T | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 176 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | F352 A353 I356 I383 D385 M386 E391 A392 I393 L419 | F352-T389 HydrophobicContact CB-CG2 3.69Å; F352-T389 HydrophobicContact CD2-CG2 4.3Å; F352-T389 HydrophobicContact CG-CG2 4.49Å; A353-T389 PolarHBondContact N-OG1 3.24Å; I356-T389 HydrophobicContact CD1-CG2 3.99Å; I383-T389 HydrophobicContact CG2-CG2 4.45Å; D385-T389 VanDerWaalsContact CG-OG1 3.31Å; D385-T389 PolarHBondContact O-N 2.96Å; D385-T389 PolarHBondContact O-OG1 2.95Å; D385-T389 PolarHBondContact OD1-OG1 3.23Å; M386-T389 PolarHBondContact O-N 3.31Å; T389-E391 PolarHBondContact O-N 3.08Å; T389-A392 PolarHBondContact O-N 2.62Å; T389-I393 HydrophobicContact CG2-CD1 3.92Å; T389-I393 VanDerWaalsContact O-CG1 3.29Å; T389-I393 WeakPolarHBondContact O-CG1 3.35Å; T389-I393 PolarHBondContact O-N 2.79Å; T389-L419 HydrophobicContact CG2-CD1 3.71Å; T389-L419 HydrophobicContact CG2-CD2 4.39Å |
| 390 | Q | 96 | Very high | 94.4 | Very high | 37 Ų | 37 | 32.9 Ų | 32.9 | 17% | 0.173 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 173 | -69.2 | -179.1 | -46.2 | 0 | 0 | 112.4 | M386 K388 I393 I394 L419 L426 | M386-Q390 HydrophobicContact CE-CG 4.27Å; M386-Q390 VanDerWaalsContact O-CG 3.31Å; M386-Q390 WeakPolarHBondContact O-CG 3.14Å; M386-Q390 PolarHBondContact O-N 3.08Å; M386-Q390 HydrophobicContact SD-CG 4.35Å; K388-Q390 VanDerWaalsContact C-N 3.35Å; Q390-I393 PolarHBondContact O-N 3.44Å; Q390-I394 WeakPolarHBondContact O-CD1 3.4Å; Q390-I394 VanDerWaalsContact O-CG1 3.25Å; Q390-I394 WeakPolarHBondContact O-CG1 3.19Å; Q390-I394 PolarHBondContact O-N 2.92Å; Q390-L419 HydrophobicContact CG-CD2 3.98Å; Q390-L426 HydrophobicContact CB-CD2 4.44Å; Q390-L426 HydrophobicContact CG-CD1 3.97Å; Q390-L426 HydrophobicContact CG-CD2 4.34Å; Q390-L426 HydrophobicContact CG-CG 4.39Å |
| 391 | E | 96.3 | Very high | 94.6 | Very high | 58 Ų | 58 | 32.2 Ų | 32.2 | 27% | 0.271 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.8 | -45 | 176.1 | -73.4 | 171.4 | -144.2 | 0 | 0 | 111.7 | P387 K388 T389 I393 I394 D395 K429 | P387-E391 WeakPolarHBondContact O-CG 3.45Å; P387-E391 PolarHBondContact O-N 3.28Å; K388-E391 PolarHBondContact O-N 3.27Å; T389-E391 PolarHBondContact O-N 3.08Å; E391-I393 VanDerWaalsContact C-N 3.34Å; E391-I393 PolarHBondContact O-N 3.23Å; E391-I394 PolarHBondContact O-N 3.36Å; E391-D395 PolarHBondContact O-N 3.5Å; E391-K429 WeakPolarHBondContact OE1-CD 3.29Å; E391-K429 WeakPolarHBondContact OE1-CE 3.46Å; E391-K429 IonicContact OE1-NZ 2.89Å; E391-K429 PolarHBondContact OE1-NZ 2.61Å; E391-K429 IonicContact OE2-NZ 3.64Å; E391-K429 PolarHBondContact OE2-NZ 3.14Å |
| 392 | A | 97.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | A353 I356 K388 T389 A396 | A353-A392 HydrophobicContact CB-CB 4.29Å; I356-A392 HydrophobicContact CB-CB 4.13Å; I356-A392 HydrophobicContact CG2-CB 3.84Å; K388-A392 WeakPolarHBondContact O-CB 3.33Å; K388-A392 PolarHBondContact O-N 3.16Å; T389-A392 PolarHBondContact O-N 2.62Å; A392-A396 WeakPolarHBondContact O-CB 3.41Å; A392-A396 PolarHBondContact O-N 2.8Å |
| 393 | I | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.5 | -43.7 | 176 | -69.5 | 165.5 | 0 | 0 | 0 | 111 | I356 T389 Q390 E391 D395 A396 S397 L403 L419 L426 V433 I437 V438 | I356-I393 HydrophobicContact CD1-CD1 4.28Å; I356-I393 HydrophobicContact CD1-CG1 3.93Å; T389-I393 HydrophobicContact CG2-CD1 3.92Å; T389-I393 VanDerWaalsContact O-CG1 3.29Å; T389-I393 WeakPolarHBondContact O-CG1 3.35Å; T389-I393 PolarHBondContact O-N 2.79Å; Q390-I393 PolarHBondContact O-N 3.44Å; E391-I393 VanDerWaalsContact C-N 3.34Å; E391-I393 PolarHBondContact O-N 3.23Å; I393-D395 PolarHBondContact O-N 3.04Å; I393-A396 PolarHBondContact O-N 2.96Å; I393-S397 PolarHBondContact O-N 2.83Å; I393-L403 HydrophobicContact CG1-CD1 3.76Å; I393-L419 HydrophobicContact CD1-CB 4.2Å; I393-L419 HydrophobicContact CD1-CD1 3.8Å; I393-L419 HydrophobicContact CD1-CD2 3.64Å; I393-L419 HydrophobicContact CD1-CG 4.08Å; I393-L426 HydrophobicContact CB-CD2 3.99Å; I393-L426 HydrophobicContact CD1-CD2 4.22Å; I393-L426 HydrophobicContact CG2-CD2 3.65Å; I393-V433 HydrophobicContact CG2-CG1 4.03Å; I393-I437 HydrophobicContact CG2-CD1 4.11Å; I393-I437 HydrophobicContact CG2-CG1 4.21Å; I393-V438 HydrophobicContact CD1-CG2 4.16Å; I393-V438 HydrophobicContact CG1-CG2 4.43Å; I393-V438 HydrophobicContact CG2-CG2 3.8Å |
| 394 | I | 96.5 | Very high | 96.5 | Very high | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 177.1 | -71.5 | 163 | 0 | 0 | 0 | 110.5 | Q390 E391 A396 S397 K431 V433 | Q390-I394 WeakPolarHBondContact O-CD1 3.4Å; Q390-I394 VanDerWaalsContact O-CG1 3.25Å; Q390-I394 WeakPolarHBondContact O-CG1 3.19Å; Q390-I394 PolarHBondContact O-N 2.92Å; E391-I394 PolarHBondContact O-N 3.36Å; I394-A396 VanDerWaalsContact C-N 3.33Å; I394-A396 PolarHBondContact O-N 2.78Å; I394-S397 WeakPolarHBondContact O-CB 3.24Å; I394-S397 PolarHBondContact O-N 2.84Å; I394-S397 PolarHBondContact O-OG 3.02Å; I394-K431 HydrophobicContact CG2-CB 3.88Å; I394-K431 HydrophobicContact CG2-CD 4.2Å; I394-V433 HydrophobicContact CB-CG1 4.49Å; I394-V433 HydrophobicContact CG1-CG1 3.72Å |
| 395 | D | 96 | Very high | 96.7 | Very high | 94 Ų | 94 | 25 Ų | 25 | 50% | 0.503 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -64.9 | -38.8 | 178.7 | -69.1 | -20.5 | 0 | 0 | 0 | 111.4 | E391 I393 S397 T398 K431 | E391-D395 PolarHBondContact O-N 3.5Å; I393-D395 PolarHBondContact O-N 3.04Å; D395-S397 VanDerWaalsContact C-N 3.32Å; D395-S397 PolarHBondContact O-N 3.22Å; D395-T398 PolarHBondContact O-OG1 3.11Å; D395-K431 IonicContact OD1-NZ 3.73Å |
| 396 | A | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.5 | -24.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | I356 A360 A392 I393 I394 T398 L399 L401 I437 | I356-A396 HydrophobicContact CG2-CB 4.37Å; A360-A396 HydrophobicContact CB-CB 4.21Å; A392-A396 WeakPolarHBondContact O-CB 3.41Å; A392-A396 PolarHBondContact O-N 2.8Å; I393-A396 PolarHBondContact O-N 2.96Å; I394-A396 VanDerWaalsContact C-N 3.33Å; I394-A396 PolarHBondContact O-N 2.78Å; A396-T398 PolarHBondContact O-N 3.05Å; A396-L399 WeakPolarHBondContact O-CB 3.49Å; A396-L399 PolarHBondContact O-N 3.06Å; A396-L401 HydrophobicContact CB-CD2 4.1Å; A396-I437 HydrophobicContact CB-CD1 3.88Å |
| 397 | S | 96.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18 | -175.4 | 72.4 | 0 | 0 | 0 | 0 | 114.2 | I393 I394 D395 E434 R435 | I393-S397 PolarHBondContact O-N 2.83Å; I394-S397 WeakPolarHBondContact O-CB 3.24Å; I394-S397 PolarHBondContact O-N 2.84Å; I394-S397 PolarHBondContact O-OG 3.02Å; D395-S397 VanDerWaalsContact C-N 3.32Å; D395-S397 PolarHBondContact O-N 3.22Å; S397-E434 PolarHBondContact OG-N 2.57Å; S397-E434 VanDerWaalsContact OG-N 3.09Å; S397-R435 VanDerWaalsContact O-CZ 3.23Å; S397-R435 PolarHBondContact O-NE 3.32Å; S397-R435 PolarHBondContact O-NH2 3.22Å |
| 398 | T | 96.5 | Very high | 96.8 | Very high | 38 Ų | 38 | 19.6 Ų | 19.6 | 23% | 0.233 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -10.4 | 178.3 | 72.1 | 0 | 0 | 0 | 0 | 114 | D395 A396 E434 K481 | D395-T398 PolarHBondContact O-OG1 3.11Å; A396-T398 PolarHBondContact O-N 3.05Å; T398-E434 VanDerWaalsContact CG2-CD 3.43Å; T398-E434 HydrophobicContact CG2-CG 4.15Å; T398-E434 WeakPolarHBondContact CG2-OE2 3.28Å; T398-K481 VanDerWaalsContact O-CE 3.24Å; T398-K481 WeakPolarHBondContact O-CE 3.47Å; T398-K481 PolarHBondContact O-NZ 2.86Å |
| 399 | L | 98.3 | Very high | 96.6 | Very high | 21 Ų | 21 | 13.8 Ų | 13.8 | 11% | 0.11 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -100.7 | 163.4 | -170.2 | -54.8 | -177.6 | 0 | 0 | 0 | 111.9 | A360 A363 M367 A396 L401 R435 F477 | A360-L399 HydrophobicContact CB-CD1 3.76Å; A360-L399 VanDerWaalsContact O-CD1 3.29Å; A360-L399 WeakPolarHBondContact O-CD1 3.41Å; A363-L399 HydrophobicContact CB-CB 4.31Å; M367-L399 HydrophobicContact CE-CD2 4.29Å; M367-L399 HydrophobicContact SD-CD2 3.74Å; A396-L399 WeakPolarHBondContact O-CB 3.49Å; A396-L399 PolarHBondContact O-N 3.06Å; L399-L401 HydrophobicContact CB-CB 4.48Å; L399-L401 PolarHBondContact O-N 2.95Å; L399-R435 PolarHBondContact O-NH2 2.89Å; L399-F477 WeakPolarHBondContact O-CD2 3.03Å |
| 400 | P | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -74.8 | 64.3 | 173.9 | 32.6 | -38.1 | 0 | 0 | 0 | 111.2 | A363 H366 M367 Y372 F373 F477 | A363-P400 HydrophobicContact CB-CG 4.2Å; A363-P400 WeakPolarHBondContact O-CG 3.37Å; H366-P400 WeakPolarHBondContact O-CG 3.29Å; M367-P400 VanDerWaalsContact SD-CD 3.58Å; Y372-P400 HydrophobicContact CD2-CB 3.7Å; Y372-P400 HydrophobicContact CE2-CB 4.15Å; Y372-P400 HydrophobicContact CG-CB 4.43Å; F373-P400 PolarHBondContact N-O 2.74Å; P400-F477 HydrophobicContact CB-CD1 3.95Å; P400-F477 HydrophobicContact CB-CD2 4.25Å; P400-F477 HydrophobicContact CB-CE1 3.64Å; P400-F477 HydrophobicContact CB-CE2 3.94Å; P400-F477 HydrophobicContact CB-CG 4.25Å; P400-F477 HydrophobicContact CB-CZ 3.63Å; P400-F477 HydrophobicContact CG-CE1 4.47Å; P400-F477 HydrophobicContact CG-CE2 4.33Å; P400-F477 HydrophobicContact CG-CZ 4.05Å |
| 401 | L | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 133.5 | -174.7 | 178.5 | 58.2 | 0 | 0 | 0 | 110.6 | V359 A360 A363 F373 L375 A396 L399 L403 I437 | V359-L401 HydrophobicContact CG1-CD1 3.8Å; V359-L401 HydrophobicContact CG1-CD2 4.39Å; A360-L401 HydrophobicContact CB-CD2 4.17Å; A363-L401 HydrophobicContact CB-CB 4.2Å; F373-L401 HydrophobicContact CB-CD1 3.73Å; F373-L401 CarbonylContact O-C 3.35Å; F373-L401 WeakPolarHBondContact O-CA 3.41Å; L375-L401 HydrophobicContact CB-CD1 4.23Å; A396-L401 HydrophobicContact CB-CD2 4.1Å; L399-L401 HydrophobicContact CB-CB 4.48Å; L399-L401 PolarHBondContact O-N 2.95Å; L401-L403 HydrophobicContact CD1-CD2 4.12Å; L401-L403 HydrophobicContact CD2-CD2 3.98Å; L401-L403 HydrophobicContact CG-CD2 3.96Å; L401-I437 WeakPolarHBondContact O-CG2 3.22Å |
| 402 | S | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 144.9 | 162.5 | -62.9 | 0 | 0 | 0 | 0 | 110 | Y372 F373 I374 L375 I437 Q473 | Y372-S402 VanDerWaalsContact CE1-OG 3.26Å; Y372-S402 WeakPolarHBondContact CE1-OG 3.24Å; Y372-S402 PolarHBondContact OH-OG 3.19Å; F373-S402 PolarHBondContact O-N 2.88Å; I374-S402 WeakPolarHBondContact CA-O 3.25Å; L375-S402 PolarHBondContact N-O 2.84Å; S402-I437 CarbonylContact C-O 3.59Å; S402-Q473 WeakPolarHBondContact OG-CB 3.47Å; S402-Q473 PolarHBondContact OG-OE1 2.71Å |
| 403 | L | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121 | 179.8 | -57 | 179.8 | 0 | 0 | 0 | 107.9 | I356 L375 I393 L401 I437 V438 Q439 | I356-L403 HydrophobicContact CD1-CD1 4.12Å; I356-L403 HydrophobicContact CG1-CD1 4.27Å; I356-L403 HydrophobicContact CG1-CD2 4.48Å; I356-L403 HydrophobicContact CG2-CD1 4.06Å; L375-L403 HydrophobicContact CB-CD2 3.77Å; L375-L403 HydrophobicContact CD2-CD2 3.9Å; L375-L403 HydrophobicContact CG-CD2 4.24Å; I393-L403 HydrophobicContact CG1-CD1 3.76Å; L401-L403 HydrophobicContact CD1-CD2 4.12Å; L401-L403 HydrophobicContact CD2-CD2 3.98Å; L401-L403 HydrophobicContact CG-CD2 3.96Å; L403-I437 WeakPolarHBondContact CA-O 3.14Å; L403-I437 WeakPolarHBondContact CB-O 3.43Å; L403-I437 HydrophobicContact CD1-CD1 3.98Å; L403-I437 HydrophobicContact CG-CD1 4.23Å; L403-I437 PolarHBondContact N-O 3.01Å; L403-V438 HydrophobicContact CB-CG2 4.35Å; L403-V438 HydrophobicContact CD1-CG2 4.2Å; L403-V438 CarbonylContact O-C 3.58Å; L403-V438 VanDerWaalsContact O-CA 3.32Å; L403-V438 WeakPolarHBondContact O-CA 3.24Å; L403-Q439 PolarHBondContact O-N 3.31Å |
| 404 | I | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.8 | 174.1 | -61.2 | 176.4 | 0 | 0 | 0 | 107 | I374 L375 L376 I377 V406 Q439 V466 L467 I470 | I374-I404 HydrophobicContact CG2-CD1 3.6Å; I374-I404 HydrophobicContact CG2-CG1 4.11Å; L375-I404 PolarHBondContact O-N 3.07Å; L376-I404 CarbonylContact C-O 3.59Å; L376-I404 WeakPolarHBondContact CA-O 3.12Å; L376-I404 HydrophobicContact CD1-CB 3.86Å; L376-I404 HydrophobicContact CD1-CG2 3.44Å; L376-I404 VanDerWaalsContact CD1-CG2 3.44Å; I377-I404 PolarHBondContact N-O 3.08Å; I404-V406 HydrophobicContact CG2-CG2 4.16Å; I404-Q439 CarbonylContact C-O 3.49Å; I404-Q439 WeakPolarHBondContact CA-O 3.35Å; I404-V466 HydrophobicContact CD1-CG1 4.18Å; I404-V466 HydrophobicContact CG2-CG1 3.33Å; I404-L467 HydrophobicContact CD1-CD2 3.95Å; I404-I470 HydrophobicContact CD1-CD1 3.84Å; I404-I470 HydrophobicContact CD1-CG1 4.05Å; I404-I470 HydrophobicContact CG1-CD1 3.89Å |
| 405 | I | 96.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 116.9 | 177.1 | -55.9 | 173.5 | 0 | 0 | 0 | 108.4 | F352 I377 T379 M416 L419 V438 Q439 F440 V441 | F352-I405 HydrophobicContact CE2-CD1 4.17Å; F352-I405 HydrophobicContact CE2-CG2 4.18Å; I377-I405 HydrophobicContact CB-CG1 4.43Å; I377-I405 CarbonylContact O-C 3.56Å; I377-I405 WeakPolarHBondContact O-CA 3.49Å; T379-I405 HydrophobicContact CG2-CG2 4.19Å; I405-M416 HydrophobicContact CG2-CG 4.24Å; I405-M416 HydrophobicContact CG2-SD 3.88Å; I405-L419 HydrophobicContact CD1-CD1 4.06Å; I405-V438 HydrophobicContact CD1-CG1 3.87Å; I405-V438 HydrophobicContact CG1-CG1 4.41Å; I405-Q439 PolarHBondContact N-O 3.41Å; I405-F440 HydrophobicContact CB-CD2 4.08Å; I405-F440 HydrophobicContact CG2-CD2 3.93Å; I405-F440 HydrophobicContact CG2-CE2 4.43Å; I405-F440 WeakPolarHBondContact O-CA 3.41Å; I405-F440 WeakPolarHBondContact O-CD2 3.34Å; I405-V441 PolarHBondContact O-N 3.25Å |
| 406 | V | 95.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 110.8 | 175.7 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | A284 L376 I377 I378 T379 I404 V408 V441 M443 V466 | A284-V406 HydrophobicContact CB-CB 4.46Å; A284-V406 HydrophobicContact CB-CG1 3.94Å; L376-V406 HydrophobicContact CD1-CB 4.48Å; L376-V406 HydrophobicContact CD1-CG2 3.64Å; I377-V406 PolarHBondContact O-N 3.24Å; I378-V406 WeakPolarHBondContact CA-O 3.21Å; T379-V406 PolarHBondContact N-O 2.96Å; T379-V406 VanDerWaalsContact N-O 3.1Å; I404-V406 HydrophobicContact CG2-CG2 4.16Å; V406-V408 HydrophobicContact CG1-CG1 4.22Å; V406-V441 WeakPolarHBondContact CA-O 3.42Å; V406-M443 HydrophobicContact CG1-CB 4.36Å; V406-V466 HydrophobicContact CG2-CG1 4.24Å; V406-V466 HydrophobicContact CG2-CG2 4.14Å |
| 407 | G | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 120.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | T379 V441 M443 | T379-G407 CarbonylContact O-C 3.58Å; T379-G407 WeakPolarHBondContact O-CA 3.33Å; G407-V441 PolarHBondContact N-O 3.45Å; G407-M443 VanDerWaalsContact O-CB 3.31Å; G407-M443 WeakPolarHBondContact O-CB 3.11Å; G407-M443 PolarHBondContact O-N 2.92Å |
| 408 | V | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -109.8 | 151.8 | 178.1 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | L270 P280 Y281 I378 T379 D380 V406 M443 | L270-V408 HydrophobicContact CD1-CG2 4.34Å; P280-V408 HydrophobicContact CB-CB 3.8Å; P280-V408 HydrophobicContact CB-CG1 3.85Å; P280-V408 HydrophobicContact CB-CG2 4.43Å; Y281-V408 HydrophobicContact CD2-CG2 4.23Å; Y281-V408 HydrophobicContact CE2-CG2 3.6Å; I378-V408 HydrophobicContact CG2-CG1 3.77Å; I378-V408 HydrophobicContact CG2-CG2 4.28Å; T379-V408 VanDerWaalsContact O-CG2 3.31Å; T379-V408 WeakPolarHBondContact O-CG2 3.16Å; T379-V408 PolarHBondContact O-N 2.98Å; D380-V408 VanDerWaalsContact CA-O 3.26Å; D380-V408 WeakPolarHBondContact CA-O 3.43Å; D380-V408 HydrophobicContact CB-CG2 4.26Å; V406-V408 HydrophobicContact CG1-CG1 4.22Å; V408-M443 HydrophobicContact CG1-CB 4.32Å; V408-M443 HydrophobicContact CG1-SD 4Å | ||
| 409 | G | 92 | Very high | 93.8 | Very high | 18 Ų | 18 | 31.3 Ų | 31.3 | 19% | 0.186 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | -155.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 410 | E | 89.8 | Confident | 93.5 | Very high | 151 Ų | 151 | 31.1 Ų | 31.1 | 71% | 0.706 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 13.4 | -167.7 | -64 | -53.4 | 144.5 | 0 | 0 | 114.9 | R444 | E410-R444 PolarHBondContact O-NH1 3.06Å; E410-R444 IonicContact OE2-CZ 2.6Å; E410-R444 IonicContact OE2-NH1 2.78Å; E410-R444 PolarHBondContact OE2-NH1 2.77Å |
| 411 | G | 87 | Confident | 92.9 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | trans | -61.6 | 168.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D380 R444 | D380-G411 VanDerWaalsContact O-CA 3.32Å; D380-G411 WeakPolarHBondContact O-CA 3.41Å; G411-R444 PolarHBondContact O-NH2 2.98Å | ||
| 412 | D | 90.3 | Very high | 92 | Very high | 97 Ų | 97 | 36.4 Ų | 36.4 | 52% | 0.519 | 19% | 0.192 | S | C | . | . | trans | -81.3 | 117.4 | 170.2 | -173 | 1.7 | 0 | 0 | 0 | 109.9 | T414 | D412-T414 WeakPolarHBondContact OD1-CB 3.27Å; D412-T414 PolarHBondContact OD1-N 2.79Å; D412-T414 PolarHBondContact OD1-OG1 2.87Å | ||
| 413 | F | 91.6 | Very high | 91 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -105.4 | 15.7 | 179.4 | -53.8 | -48 | 0 | 0 | 0 | 112.8 | E415 M416 R417 F440 S442 R444 | F413-E415 VanDerWaalsContact C-N 3.26Å; F413-E415 PolarHBondContact O-N 2.87Å; F413-M416 HydrophobicContact CB-CB 4.44Å; F413-M416 HydrophobicContact CB-SD 4.13Å; F413-M416 HydrophobicContact CD1-CE 3.62Å; F413-M416 HydrophobicContact CD1-SD 3.37Å; F413-M416 WeakPolarHBondContact CD1-SD 3.48Å; F413-M416 HydrophobicContact CE1-CE 4.09Å; F413-M416 HydrophobicContact CE1-SD 4.11Å; F413-M416 HydrophobicContact CG-SD 4.08Å; F413-M416 PolarHBondContact O-N 3.49Å; F413-M416 VanDerWaalsContact O-N 3.12Å; F413-R417 PolarHBondContact O-N 3.31Å; F413-R417 VanDerWaalsContact O-N 3.11Å; F413-F440 HydrophobicContact CB-CE1 3.91Å; F413-F440 HydrophobicContact CB-CE2 4.15Å; F413-F440 HydrophobicContact CB-CZ 3.38Å; F413-F440 HydrophobicContact CD1-CE2 4.46Å; F413-F440 HydrophobicContact CD1-CZ 4.28Å; F413-F440 AromaticContact CD2-CZ 3.88Å; F413-F440 HydrophobicContact CD2-CZ 3.88Å; F413-F440 HydrophobicContact CG-CE2 4.22Å; F413-F440 AromaticContact CG-CZ 3.6Å; F413-F440 HydrophobicContact CG-CZ 3.6Å; F413-S442 WeakPolarHBondContact CD2-OG 3.22Å; F413-S442 WeakPolarHBondContact CE2-OG 3.33Å; F413-R444 VanDerWaalsContact CD2-NH2 3.35Å | ||
| 414 | T | 91.5 | Very high | 90.2 | Very high | 71 Ų | 71 | 51.4 Ų | 51.4 | 44% | 0.436 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.8 | -42.4 | 178.8 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | D412 M416 R417 I418 | D412-T414 WeakPolarHBondContact OD1-CB 3.27Å; D412-T414 PolarHBondContact OD1-N 2.79Å; D412-T414 PolarHBondContact OD1-OG1 2.87Å; T414-M416 PolarHBondContact O-N 3.03Å; T414-R417 PolarHBondContact O-N 3.23Å; T414-I418 WeakPolarHBondContact O-CG1 3.27Å; T414-I418 PolarHBondContact O-N 2.82Å |
| 415 | E | 91.4 | Very high | 89.6 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.9 | -35.6 | 177.6 | -64 | -178.7 | 140.8 | 0 | 0 | 112.8 | I383 M386 F413 I418 L419 | I383-E415 HydrophobicContact CD1-CB 4.19Å; I383-E415 PolarHBondContact N-OE2 2.86Å; M386-E415 HydrophobicContact CE-CB 4.2Å; M386-E415 HydrophobicContact SD-CB 4.27Å; F413-E415 VanDerWaalsContact C-N 3.26Å; F413-E415 PolarHBondContact O-N 2.87Å; E415-I418 WeakPolarHBondContact O-CB 3.44Å; E415-I418 PolarHBondContact O-N 2.84Å; E415-I418 VanDerWaalsContact O-N 3.09Å; E415-L419 PolarHBondContact O-N 3.46Å |
| 416 | M | 92.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 179.2 | -57.7 | 174.5 | -167.5 | 0 | 0 | 111.2 | T379 I383 I405 F413 T414 I418 L419 D420 F440 | T379-M416 HydrophobicContact CG2-CE 3.37Å; T379-M416 HydrophobicContact CG2-SD 3.99Å; I383-M416 HydrophobicContact CD1-CG 4.19Å; I405-M416 HydrophobicContact CG2-CG 4.24Å; I405-M416 HydrophobicContact CG2-SD 3.88Å; F413-M416 HydrophobicContact CB-CB 4.44Å; F413-M416 HydrophobicContact CB-SD 4.13Å; F413-M416 HydrophobicContact CD1-CE 3.62Å; F413-M416 HydrophobicContact CD1-SD 3.37Å; F413-M416 WeakPolarHBondContact CD1-SD 3.48Å; F413-M416 HydrophobicContact CE1-CE 4.09Å; F413-M416 HydrophobicContact CE1-SD 4.11Å; F413-M416 HydrophobicContact CG-SD 4.08Å; F413-M416 PolarHBondContact O-N 3.49Å; F413-M416 VanDerWaalsContact O-N 3.12Å; T414-M416 PolarHBondContact O-N 3.03Å; M416-I418 PolarHBondContact O-N 3.47Å; M416-L419 WeakPolarHBondContact O-CB 3Å; M416-L419 PolarHBondContact O-N 3.47Å; M416-L419 VanDerWaalsContact O-N 3.11Å; M416-D420 PolarHBondContact O-N 3.18Å; M416-F440 HydrophobicContact CB-CB 4.48Å; M416-F440 HydrophobicContact CB-CD1 4.23Å; M416-F440 HydrophobicContact CB-CD2 3.41Å; M416-F440 VanDerWaalsContact CB-CD2 3.41Å; M416-F440 HydrophobicContact CB-CE1 4.4Å; M416-F440 HydrophobicContact CB-CE2 3.62Å; M416-F440 HydrophobicContact CB-CG 3.74Å; M416-F440 HydrophobicContact CB-CZ 4.13Å; M416-F440 HydrophobicContact CG-CD2 4.2Å; M416-F440 HydrophobicContact CG-CE2 4.12Å; M416-F440 HydrophobicContact SD-CD2 3.93Å; M416-F440 HydrophobicContact SD-CE2 3.39Å; M416-F440 WeakPolarHBondContact SD-CE2 3.33Å; M416-F440 HydrophobicContact SD-CZ 4.15Å |
| 417 | R | 90.9 | Very high | 88.9 | Confident | 126 Ų | 126 | 60.2 Ų | 60.2 | 48% | 0.475 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.4 | -23.8 | 171.4 | -67.5 | 178 | 177.6 | 137.4 | -1.5 | 113.5 | F413 T414 F440 | F413-R417 PolarHBondContact O-N 3.31Å; F413-R417 VanDerWaalsContact O-N 3.11Å; T414-R417 PolarHBondContact O-N 3.23Å; R417-F440 HydrophobicContact CG-CD1 3.81Å; R417-F440 HydrophobicContact CG-CE1 3.93Å |
| 418 | I | 91.5 | Very high | 88.6 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 44% | 0.441 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -74.9 | -40.3 | 171.8 | -67 | 168 | 0 | 0 | 0 | 109.9 | M386 T414 E415 M416 G421 L426 | M386-I418 HydrophobicContact CE-CB 4.01Å; M386-I418 HydrophobicContact CE-CG2 3.79Å; T414-I418 WeakPolarHBondContact O-CG1 3.27Å; T414-I418 PolarHBondContact O-N 2.82Å; E415-I418 WeakPolarHBondContact O-CB 3.44Å; E415-I418 PolarHBondContact O-N 2.84Å; E415-I418 VanDerWaalsContact O-N 3.09Å; M416-I418 PolarHBondContact O-N 3.47Å; I418-G421 PolarHBondContact O-N 3.4Å; I418-L426 HydrophobicContact CG2-CD1 4.26Å |
| 419 | L | 93.4 | Very high | 88.3 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.6 | -38 | 177.9 | -66.4 | -173.7 | 0 | 0 | 0 | 113 | I383 M386 T389 Q390 I393 I405 E415 M416 G421 L426 V438 | I383-L419 HydrophobicContact CD1-CD1 3.45Å; I383-L419 VanDerWaalsContact CD1-CD1 3.45Å; I383-L419 HydrophobicContact CD1-CG 4.31Å; M386-L419 HydrophobicContact CE-CD2 3.49Å; M386-L419 VanDerWaalsContact CE-CD2 3.49Å; M386-L419 HydrophobicContact CE-CG 3.87Å; M386-L419 HydrophobicContact SD-CD1 4.46Å; M386-L419 HydrophobicContact SD-CD2 3.75Å; M386-L419 HydrophobicContact SD-CG 4.12Å; T389-L419 HydrophobicContact CG2-CD1 3.71Å; T389-L419 HydrophobicContact CG2-CD2 4.39Å; Q390-L419 HydrophobicContact CG-CD2 3.98Å; I393-L419 HydrophobicContact CD1-CB 4.2Å; I393-L419 HydrophobicContact CD1-CD1 3.8Å; I393-L419 HydrophobicContact CD1-CD2 3.64Å; I393-L419 HydrophobicContact CD1-CG 4.08Å; I405-L419 HydrophobicContact CD1-CD1 4.06Å; E415-L419 PolarHBondContact O-N 3.46Å; M416-L419 WeakPolarHBondContact O-CB 3Å; M416-L419 PolarHBondContact O-N 3.47Å; M416-L419 VanDerWaalsContact O-N 3.11Å; L419-G421 PolarHBondContact O-N 3.18Å; L419-L426 HydrophobicContact CD2-CD1 4.16Å; L419-L426 HydrophobicContact CD2-CD2 4.01Å; L419-V438 HydrophobicContact CB-CG1 4.25Å |
| 420 | D | 91.7 | Very high | 88.2 | Confident | 16 Ų | 16 | 72.3 Ų | 72.3 | 9% | 0.086 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -49.5 | -41.3 | 174.8 | -151.4 | 27.1 | 0 | 0 | 0 | 112.2 | M416 D422 Q439 F440 | M416-D420 PolarHBondContact O-N 3.18Å; D420-D422 PolarHBondContact O-N 3.15Å; D420-D422 VanDerWaalsContact O-N 3.17Å; D420-Q439 WeakPolarHBondContact OD1-CA 3.23Å; D420-F440 HydrophobicContact CB-CB 4.14Å; D420-F440 PolarHBondContact OD1-N 3.48Å |
| 421 | G | 85.6 | Confident | 88.2 | Confident | 8 Ų | 8 | 71 Ų | 71 | 8% | 0.082 | 38% | 0.376 | C | S | . | . | trans | 75.9 | -1.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I418 L419 K423 V424 | I418-G421 PolarHBondContact O-N 3.4Å; L419-G421 PolarHBondContact O-N 3.18Å; G421-K423 PolarHBondContact O-N 2.93Å; G421-K423 VanDerWaalsContact O-N 3.13Å; G421-V424 WeakPolarHBondContact CA-O 3.25Å; G421-V424 CarbonylContact O-C 3.59Å; G421-V424 PolarHBondContact O-N 3.45Å; G421-V424 VanDerWaalsContact O-N 3.16Å | ||
| 422 | D | 80.3 | Confident | 88.5 | Confident | 104 Ų | 104 | 73.5 Ų | 73.5 | 56% | 0.556 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -46.3 | -42.2 | 176.8 | -90.3 | -2.5 | 0 | 0 | 0 | 114.6 | D420 | D420-D422 PolarHBondContact O-N 3.15Å; D420-D422 VanDerWaalsContact O-N 3.17Å |
| 423 | K | 75.8 | Confident | 88.6 | Confident | 203 Ų | 203 | 69.6 Ų | 69.6 | 88% | 0.883 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -87.5 | -38.2 | -178.1 | -64.8 | -178.3 | -177.3 | 173.7 | 0 | 112.5 | G421 | G421-K423 PolarHBondContact O-N 2.93Å; G421-K423 VanDerWaalsContact O-N 3.13Å |
| 424 | V | 80.3 | Confident | 88.6 | Confident | 111 Ų | 111 | 75.9 Ų | 75.9 | 67% | 0.673 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -146.7 | 120.1 | -173.4 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | G421 L426 | G421-V424 WeakPolarHBondContact CA-O 3.25Å; G421-V424 CarbonylContact O-C 3.59Å; G421-V424 PolarHBondContact O-N 3.45Å; G421-V424 VanDerWaalsContact O-N 3.16Å; V424-L426 PolarHBondContact O-N 3.18Å |
| 425 | R | 85.5 | Confident | 88.7 | Confident | 115 Ų | 115 | 73 Ų | 73 | 43% | 0.434 | 38% | 0.377 | S | S | . | . | trans | -53.4 | 125.4 | 176.3 | -77.2 | -76 | 172.2 | -156.7 | -13.9 | 110.6 | S427 T432 V433 D436 | R425-S427 PolarHBondContact O-N 3.38Å; R425-T432 HydrophobicContact CB-CG2 3.72Å; R425-V433 HydrophobicContact CB-CG2 4.47Å; R425-D436 IonicContact CZ-OD2 3Å; R425-D436 VanDerWaalsContact CZ-OD2 3.25Å; R425-D436 VanDerWaalsContact NH1-N 3.16Å; R425-D436 IonicContact NH1-OD1 3.94Å; R425-D436 IonicContact NH1-OD2 2.79Å; R425-D436 PolarHBondContact NH1-OD2 3.11Å; R425-D436 IonicContact NH2-OD2 3.06Å; R425-D436 PolarHBondContact NH2-OD2 2.92Å | ||
| 426 | L | 88.5 | Confident | 88.8 | Confident | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | trans | -59.3 | 129.9 | -179.7 | -168.3 | 68.5 | 0 | 0 | 0 | 110.5 | Q390 I393 I418 L419 V424 T432 V433 | Q390-L426 HydrophobicContact CB-CD2 4.44Å; Q390-L426 HydrophobicContact CG-CD1 3.97Å; Q390-L426 HydrophobicContact CG-CD2 4.34Å; Q390-L426 HydrophobicContact CG-CG 4.39Å; I393-L426 HydrophobicContact CB-CD2 3.99Å; I393-L426 HydrophobicContact CD1-CD2 4.22Å; I393-L426 HydrophobicContact CG2-CD2 3.65Å; I418-L426 HydrophobicContact CG2-CD1 4.26Å; L419-L426 HydrophobicContact CD2-CD1 4.16Å; L419-L426 HydrophobicContact CD2-CD2 4.01Å; V424-L426 PolarHBondContact O-N 3.18Å; L426-T432 WeakPolarHBondContact O-CA 3.43Å; L426-T432 WeakPolarHBondContact O-CG2 3.45Å; L426-V433 HydrophobicContact CB-CG1 3.83Å; L426-V433 HydrophobicContact CB-CG2 4.12Å; L426-V433 HydrophobicContact CD2-CG1 4.21Å; L426-V433 HydrophobicContact CG-CG1 4.45Å; L426-V433 PolarHBondContact O-N 3.04Å | ||
| 427 | S | 87.7 | Confident | 89 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 46% | 0.462 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 145.4 | 178.1 | 59 | 0 | 0 | 0 | 0 | 111.5 | R425 K431 | R425-S427 PolarHBondContact O-N 3.38Å; S427-K431 CarbonylContact C-O 3.6Å; S427-K431 WeakPolarHBondContact CA-O 3.19Å; S427-K431 VanDerWaalsContact CB-O 3.24Å; S427-K431 WeakPolarHBondContact CB-O 3.42Å |
| 428 | S | 89.4 | Confident | 89.3 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 138.2 | 176.3 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | G430 K431 | S428-G430 PolarHBondContact O-N 3.44Å; S428-K431 PolarHBondContact N-O 3.1Å; S428-K431 PolarHBondContact O-N 3.16Å |
| 429 | K | 89 | Confident | 89.5 | Confident | 167 Ų | 167 | 62.1 Ų | 62.1 | 73% | 0.726 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 35.6 | 179.2 | -64 | 174 | 173.7 | 164.4 | 0 | 114.2 | E391 K431 | E391-K429 WeakPolarHBondContact OE1-CD 3.29Å; E391-K429 WeakPolarHBondContact OE1-CE 3.46Å; E391-K429 IonicContact OE1-NZ 2.89Å; E391-K429 PolarHBondContact OE1-NZ 2.61Å; E391-K429 IonicContact OE2-NZ 3.64Å; E391-K429 PolarHBondContact OE2-NZ 3.14Å; K429-K431 VanDerWaalsContact C-N 3.26Å; K429-K431 PolarHBondContact O-N 2.96Å |
| 430 | G | 87.9 | Confident | 89.6 | Confident | 86 Ų | 86 | 62.8 Ų | 62.8 | 89% | 0.887 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 1.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S428 | S428-G430 PolarHBondContact O-N 3.44Š|
| 431 | K | 91.3 | Very high | 89.6 | Confident | 124 Ų | 124 | 62.2 Ų | 62.2 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 148.3 | 167.6 | -63.1 | -177.2 | 178.5 | -178 | 0 | 109.9 | I394 D395 S427 S428 K429 | I394-K431 HydrophobicContact CG2-CB 3.88Å; I394-K431 HydrophobicContact CG2-CD 4.2Å; D395-K431 IonicContact OD1-NZ 3.73Å; S427-K431 CarbonylContact C-O 3.6Å; S427-K431 WeakPolarHBondContact CA-O 3.19Å; S427-K431 VanDerWaalsContact CB-O 3.24Å; S427-K431 WeakPolarHBondContact CB-O 3.42Å; S428-K431 PolarHBondContact N-O 3.1Å; S428-K431 PolarHBondContact O-N 3.16Å; K429-K431 VanDerWaalsContact C-N 3.26Å; K429-K431 PolarHBondContact O-N 2.96Å |
| 432 | T | 92.5 | Very high | 90 | Very high | 73 Ų | 73 | 62 Ų | 62 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148.3 | 175.1 | -55.2 | 0 | 0 | 0 | 0 | 108.4 | R425 L426 E434 | R425-T432 HydrophobicContact CB-CG2 3.72Å; L426-T432 WeakPolarHBondContact O-CA 3.43Å; L426-T432 WeakPolarHBondContact O-CG2 3.45Å; T432-E434 PolarHBondContact O-N 2.73Å |
| 433 | V | 92.9 | Very high | 90.4 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | trans | -55.1 | 132.8 | 173 | -69.4 | 0 | 0 | 0 | 0 | 110.9 | I393 I394 R425 L426 | I393-V433 HydrophobicContact CG2-CG1 4.03Å; I394-V433 HydrophobicContact CB-CG1 4.49Å; I394-V433 HydrophobicContact CG1-CG1 3.72Å; R425-V433 HydrophobicContact CB-CG2 4.47Å; L426-V433 HydrophobicContact CB-CG1 3.83Å; L426-V433 HydrophobicContact CB-CG2 4.12Å; L426-V433 HydrophobicContact CD2-CG1 4.21Å; L426-V433 HydrophobicContact CG-CG1 4.45Å; L426-V433 PolarHBondContact O-N 3.04Å | ||
| 434 | E | 91.3 | Very high | 90.9 | Very high | 132 Ų | 132 | 51.1 Ų | 51.1 | 62% | 0.617 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -74.8 | -32 | 179.9 | -72.2 | -171.1 | -176.1 | 0 | 0 | 112.3 | S397 T398 T432 | S397-E434 PolarHBondContact OG-N 2.57Å; S397-E434 VanDerWaalsContact OG-N 3.09Å; T398-E434 VanDerWaalsContact CG2-CD 3.43Å; T398-E434 HydrophobicContact CG2-CG 4.15Å; T398-E434 WeakPolarHBondContact CG2-OE2 3.28Å; T432-E434 PolarHBondContact O-N 2.73Å |
| 435 | R | 94 | Very high | 91.1 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 4% | 0.038 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -139.4 | 161.8 | -177.1 | -59.4 | -174.4 | -55.1 | 94.5 | 2.8 | 110.2 | S397 L399 I437 Q473 S476 | S397-R435 VanDerWaalsContact O-CZ 3.23Å; S397-R435 PolarHBondContact O-NE 3.32Å; S397-R435 PolarHBondContact O-NH2 3.22Å; L399-R435 PolarHBondContact O-NH2 2.89Å; R435-I437 HydrophobicContact CB-CG2 4.38Å; R435-Q473 PolarHBondContact NH1-O 2.72Å; R435-S476 WeakPolarHBondContact CD-OG 3.37Å |
| 436 | D | 93.6 | Very high | 90.6 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 17% | 0.166 | 26% | 0.256 | C | S | . | . | trans | -72 | 129.9 | 163 | -123.8 | -36.9 | 0 | 0 | 0 | 110.9 | R425 Q473 | R425-D436 IonicContact CZ-OD2 3Å; R425-D436 VanDerWaalsContact CZ-OD2 3.25Å; R425-D436 VanDerWaalsContact NH1-N 3.16Å; R425-D436 IonicContact NH1-OD1 3.94Å; R425-D436 IonicContact NH1-OD2 2.79Å; R425-D436 PolarHBondContact NH1-OD2 3.11Å; R425-D436 IonicContact NH2-OD2 3.06Å; R425-D436 PolarHBondContact NH2-OD2 2.92Å; D436-Q473 HydrophobicContact CB-CG 4.4Å; D436-Q473 WeakPolarHBondContact O-CG 3.09Å | ||
| 437 | I | 96.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | trans | -144.1 | -1.7 | 178.3 | 67.3 | 156.4 | 0 | 0 | 0 | 112.8 | I393 A396 L401 S402 L403 R435 | I393-I437 HydrophobicContact CG2-CD1 4.11Å; I393-I437 HydrophobicContact CG2-CG1 4.21Å; A396-I437 HydrophobicContact CB-CD1 3.88Å; L401-I437 WeakPolarHBondContact O-CG2 3.22Å; S402-I437 CarbonylContact C-O 3.59Å; L403-I437 WeakPolarHBondContact CA-O 3.14Å; L403-I437 WeakPolarHBondContact CB-O 3.43Å; L403-I437 HydrophobicContact CD1-CD1 3.98Å; L403-I437 HydrophobicContact CG-CD1 4.23Å; L403-I437 PolarHBondContact N-O 3.01Å; R435-I437 HydrophobicContact CB-CG2 4.38Å | ||
| 438 | V | 96.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.6 | -177.6 | -175.3 | 0 | 0 | 0 | 0 | 107.6 | I393 L403 I405 L419 | I393-V438 HydrophobicContact CD1-CG2 4.16Å; I393-V438 HydrophobicContact CG1-CG2 4.43Å; I393-V438 HydrophobicContact CG2-CG2 3.8Å; L403-V438 HydrophobicContact CB-CG2 4.35Å; L403-V438 HydrophobicContact CD1-CG2 4.2Å; L403-V438 CarbonylContact O-C 3.58Å; L403-V438 VanDerWaalsContact O-CA 3.32Å; L403-V438 WeakPolarHBondContact O-CA 3.24Å; I405-V438 HydrophobicContact CD1-CG1 3.87Å; I405-V438 HydrophobicContact CG1-CG1 4.41Å; L419-V438 HydrophobicContact CB-CG1 4.25Å |
| 439 | Q | 95 | Very high | 86.2 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.9 | 167.4 | 173.3 | 61.7 | 5.5 | 0 | 0 | 108.2 | L403 I404 I405 D420 V441 E465 E469 | L403-Q439 PolarHBondContact O-N 3.31Å; I404-Q439 CarbonylContact C-O 3.49Å; I404-Q439 WeakPolarHBondContact CA-O 3.35Å; I405-Q439 PolarHBondContact N-O 3.41Å; D420-Q439 WeakPolarHBondContact OD1-CA 3.23Å; Q439-V441 HydrophobicContact CG-CG2 4.19Å; Q439-E465 PolarHBondContact NE2-O 3.05Å; Q439-E469 HydrophobicContact CG-CG 4.41Å; Q439-E469 VanDerWaalsContact OE1-CG 3.26Å; Q439-E469 PolarHBondContact OE1-OE1 2.91Å |
| 440 | F | 94.9 | Very high | 84.3 | Confident | 18 Ų | 18 | 49 Ų | 49 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.7 | 174.3 | 172 | -107.5 | 0 | 0 | 0 | 112.4 | I405 F413 M416 R417 D420 | I405-F440 HydrophobicContact CB-CD2 4.08Å; I405-F440 HydrophobicContact CG2-CD2 3.93Å; I405-F440 HydrophobicContact CG2-CE2 4.43Å; I405-F440 WeakPolarHBondContact O-CA 3.41Å; I405-F440 WeakPolarHBondContact O-CD2 3.34Å; F413-F440 HydrophobicContact CB-CE1 3.91Å; F413-F440 HydrophobicContact CB-CE2 4.15Å; F413-F440 HydrophobicContact CB-CZ 3.38Å; F413-F440 HydrophobicContact CD1-CE2 4.46Å; F413-F440 HydrophobicContact CD1-CZ 4.28Å; F413-F440 AromaticContact CD2-CZ 3.88Å; F413-F440 HydrophobicContact CD2-CZ 3.88Å; F413-F440 HydrophobicContact CG-CE2 4.22Å; F413-F440 AromaticContact CG-CZ 3.6Å; F413-F440 HydrophobicContact CG-CZ 3.6Å; M416-F440 HydrophobicContact CB-CB 4.48Å; M416-F440 HydrophobicContact CB-CD1 4.23Å; M416-F440 HydrophobicContact CB-CD2 3.41Å; M416-F440 VanDerWaalsContact CB-CD2 3.41Å; M416-F440 HydrophobicContact CB-CE1 4.4Å; M416-F440 HydrophobicContact CB-CE2 3.62Å; M416-F440 HydrophobicContact CB-CG 3.74Å; M416-F440 HydrophobicContact CB-CZ 4.13Å; M416-F440 HydrophobicContact CG-CD2 4.2Å; M416-F440 HydrophobicContact CG-CE2 4.12Å; M416-F440 HydrophobicContact SD-CD2 3.93Å; M416-F440 HydrophobicContact SD-CE2 3.39Å; M416-F440 WeakPolarHBondContact SD-CE2 3.33Å; M416-F440 HydrophobicContact SD-CZ 4.15Å; R417-F440 HydrophobicContact CG-CD1 3.81Å; R417-F440 HydrophobicContact CG-CE1 3.93Å; D420-F440 HydrophobicContact CB-CB 4.14Å; D420-F440 PolarHBondContact OD1-N 3.48Å |
| 441 | V | 92.7 | Very high | 82.4 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.7 | 174.2 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | I405 V406 G407 Q439 F446 L462 E465 V466 | I405-V441 PolarHBondContact O-N 3.25Å; V406-V441 WeakPolarHBondContact CA-O 3.42Å; G407-V441 PolarHBondContact N-O 3.45Å; Q439-V441 HydrophobicContact CG-CG2 4.19Å; V441-F446 HydrophobicContact CG1-CD2 4.08Å; V441-F446 HydrophobicContact CG1-CE2 3.45Å; V441-F446 VanDerWaalsContact CG1-CE2 3.45Å; V441-F446 HydrophobicContact CG1-CZ 4.22Å; V441-L462 HydrophobicContact CG1-CD1 3.93Å; V441-E465 HydrophobicContact CG1-CB 4.38Å; V441-E465 HydrophobicContact CG1-CG 4.09Å; V441-E465 HydrophobicContact CG2-CB 4.4Å; V441-E465 HydrophobicContact CG2-CG 3.84Å; V441-V466 HydrophobicContact CB-CG2 3.88Å; V441-V466 HydrophobicContact CG1-CG2 3.91Å; V441-V466 HydrophobicContact CG2-CB 4.4Å; V441-V466 HydrophobicContact CG2-CG2 3.81Å |
| 442 | S | 93 | Very high | 80.3 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 116.3 | 172 | -165.9 | 0 | 0 | 0 | 0 | 110.2 | F413 R444 D445 F446 | F413-S442 WeakPolarHBondContact CD2-OG 3.22Å; F413-S442 WeakPolarHBondContact CE2-OG 3.33Å; S442-R444 PolarHBondContact O-N 3.38Å; S442-R444 WeakPolarHBondContact OG-CG 3.21Å; S442-D445 WeakPolarHBondContact CB-OD2 3.43Å; S442-D445 WeakPolarHBondContact O-CB 3.37Å; S442-D445 PolarHBondContact O-N 2.97Å; S442-D445 VanDerWaalsContact O-N 3.11Å; S442-F446 WeakPolarHBondContact O-CD2 3.02Å |
| 443 | M | 89.6 | Confident | 78.2 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 4% | 0.044 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.6 | -175.4 | -169.4 | 174.2 | -178 | 0 | 0 | 112.8 | P280 M283 V406 G407 V408 D445 F446 T447 L462 | P280-M443 HydrophobicContact CB-SD 4.19Å; M283-M443 HydrophobicContact CB-CE 3.62Å; M283-M443 HydrophobicContact CE-CE 3.25Å; M283-M443 HydrophobicContact CE-SD 4.19Å; M283-M443 HydrophobicContact CG-CE 4.28Å; M283-M443 HydrophobicContact SD-CE 3.73Å; V406-M443 HydrophobicContact CG1-CB 4.36Å; G407-M443 VanDerWaalsContact O-CB 3.31Å; G407-M443 WeakPolarHBondContact O-CB 3.11Å; G407-M443 PolarHBondContact O-N 2.92Å; V408-M443 HydrophobicContact CG1-CB 4.32Å; V408-M443 HydrophobicContact CG1-SD 4Å; M443-D445 PolarHBondContact O-N 3.05Å; M443-F446 PolarHBondContact O-N 3.22Å; M443-F446 VanDerWaalsContact O-N 3.08Å; M443-T447 HydrophobicContact CE-CG2 3.8Å; M443-T447 HydrophobicContact CG-CG2 3.99Å; M443-T447 PolarHBondContact O-N 3.49Å; M443-T447 VanDerWaalsContact O-N 3.1Å; M443-T447 PolarHBondContact O-OG1 3.31Å; M443-L462 HydrophobicContact CE-CD2 3.91Å; M443-L462 HydrophobicContact CG-CD2 4.29Å; M443-L462 HydrophobicContact SD-CD2 4.47Å |
| 444 | R | 87.1 | Confident | 76.5 | Confident | 69 Ų | 69 | 48.7 Ų | 48.7 | 26% | 0.26 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -24.8 | 178.3 | 62.8 | 175.1 | 171.7 | -155.3 | -14.2 | 114 | E410 G411 F413 S442 F446 T447 G448 | E410-R444 PolarHBondContact O-NH1 3.06Å; E410-R444 IonicContact OE2-CZ 2.6Å; E410-R444 IonicContact OE2-NH1 2.78Å; E410-R444 PolarHBondContact OE2-NH1 2.77Å; G411-R444 PolarHBondContact O-NH2 2.98Å; F413-R444 VanDerWaalsContact CD2-NH2 3.35Å; S442-R444 PolarHBondContact O-N 3.38Å; S442-R444 WeakPolarHBondContact OG-CG 3.21Å; R444-F446 PolarHBondContact O-N 2.93Å; R444-T447 WeakPolarHBondContact CA-OG1 3.44Å; R444-G448 PolarHBondContact O-N 3.19Å |
| 445 | D | 83.8 | Confident | 75.4 | Confident | 98 Ų | 98 | 46.6 Ų | 46.6 | 52% | 0.524 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.7 | -17.6 | 177.1 | -63 | -14.4 | 0 | 0 | 0 | 111.3 | S442 M443 | S442-D445 WeakPolarHBondContact CB-OD2 3.43Å; S442-D445 WeakPolarHBondContact O-CB 3.37Å; S442-D445 PolarHBondContact O-N 2.97Å; S442-D445 VanDerWaalsContact O-N 3.11Å; M443-D445 PolarHBondContact O-N 3.05Å |
| 446 | F | 75.9 | Confident | 74.3 | Confident | 49 Ų | 49 | 53.8 Ų | 53.8 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -109.7 | -28.7 | 179.8 | -56.3 | -85.4 | 0 | 0 | 0 | 113.1 | V441 S442 M443 R444 R461 L462 E465 | V441-F446 HydrophobicContact CG1-CD2 4.08Å; V441-F446 HydrophobicContact CG1-CE2 3.45Å; V441-F446 VanDerWaalsContact CG1-CE2 3.45Å; V441-F446 HydrophobicContact CG1-CZ 4.22Å; S442-F446 WeakPolarHBondContact O-CD2 3.02Å; M443-F446 PolarHBondContact O-N 3.22Å; M443-F446 VanDerWaalsContact O-N 3.08Å; R444-F446 PolarHBondContact O-N 2.93Å; F446-R461 HydrophobicContact CD1-CB 4.33Å; F446-L462 HydrophobicContact CD2-CD1 4.07Å; F446-L462 HydrophobicContact CG-CD1 4.47Å; F446-E465 HydrophobicContact CE1-CB 4.1Å; F446-E465 HydrophobicContact CE1-CG 4.3Å; F446-E465 HydrophobicContact CE2-CB 4.5Å; F446-E465 HydrophobicContact CE2-CG 4.29Å; F446-E465 HydrophobicContact CZ-CB 3.8Å; F446-E465 HydrophobicContact CZ-CG 3.59Å |
| 447 | T | 68.1 | Low | 73.3 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -84.8 | -21.6 | -178.9 | 59 | 0 | 0 | 0 | 0 | 114.1 | M443 R444 N449 M450 | M443-T447 HydrophobicContact CE-CG2 3.8Å; M443-T447 HydrophobicContact CG-CG2 3.99Å; M443-T447 PolarHBondContact O-N 3.49Å; M443-T447 VanDerWaalsContact O-N 3.1Å; M443-T447 PolarHBondContact O-OG1 3.31Å; R444-T447 WeakPolarHBondContact CA-OG1 3.44Å; T447-N449 PolarHBondContact O-N 3.34Å; T447-M450 VanDerWaalsContact O-CB 3.24Å; T447-M450 WeakPolarHBondContact O-CB 3.43Å; T447-M450 WeakPolarHBondContact O-CG 3.49Å; T447-M450 PolarHBondContact O-N 3.03Å |
| 448 | G | 57.9 | Low | 72.1 | Confident | 65 Ų | 65 | 57.1 Ų | 57.1 | 67% | 0.67 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -21.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | R444 | R444-G448 PolarHBondContact O-N 3.19Š|
| 449 | N | 46.5 | Very low | 71.2 | Confident | 104 Ų | 104 | 59.1 Ų | 59.1 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 11.1 | 177.9 | -73.1 | -28.4 | 0 | 0 | 0 | 114.4 | T447 A451 A452 | T447-N449 PolarHBondContact O-N 3.34Å; N449-A451 PolarHBondContact O-N 2.86Å; N449-A452 PolarHBondContact O-N 3.3Å |
| 450 | M | 48.9 | Very low | 70.5 | Confident | 80 Ų | 80 | 61.4 Ų | 61.4 | 39% | 0.394 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -17.4 | -179.4 | -86.3 | -76.2 | -118.8 | 0 | 0 | 114.7 | T447 A452 T458 | T447-M450 VanDerWaalsContact O-CB 3.24Å; T447-M450 WeakPolarHBondContact O-CB 3.43Å; T447-M450 WeakPolarHBondContact O-CG 3.49Å; T447-M450 PolarHBondContact O-N 3.03Å; M450-A452 PolarHBondContact O-N 3.32Å; M450-A452 VanDerWaalsContact O-N 3.14Å; M450-T458 HydrophobicContact SD-CG2 4.22Å |
| 451 | A | 48.5 | Very low | 69.9 | Low | 112 Ų | 112 | 65.3 Ų | 65.3 | 93% | 0.926 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N449 | N449-A451 PolarHBondContact O-N 2.86Š|
| 452 | A | 46.6 | Very low | 69.5 | Low | 84 Ų | 84 | 65.5 Ų | 65.5 | 69% | 0.694 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -129.8 | -3.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116 | N449 M450 | N449-A452 PolarHBondContact O-N 3.3Å; M450-A452 PolarHBondContact O-N 3.32Å; M450-A452 VanDerWaalsContact O-N 3.14Å |
| 453 | Q | 48.3 | Very low | 69.3 | Low | 36 Ų | 36 | 66 Ų | 66 | 17% | 0.168 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -122.5 | 151 | -172.2 | -63.6 | -172.1 | 7.3 | 0 | 0 | 113 | R461 | Q453-R461 VanDerWaalsContact NE2-NH1 3.12Š|
| 454 | S | 57.5 | Low | 69.2 | Low | 60 Ų | 60 | 75 Ų | 75 | 42% | 0.42 | 43% | 0.434 | S | S | . | . | trans | -63.5 | 147.1 | 170.2 | 65.7 | 0 | 0 | 0 | 0 | 110.4 | E456 L457 T458 | S454-E456 PolarHBondContact O-N 2.87Å; S454-E456 VanDerWaalsContact O-N 3.11Å; S454-L457 PolarHBondContact O-N 3.39Å; S454-L457 WeakPolarHBondContact OG-CD1 3.39Å; S454-L457 WeakPolarHBondContact OG-CG 3.42Å; S454-L457 PolarHBondContact OG-N 3.04Å; S454-T458 PolarHBondContact O-N 3.38Å; S454-T458 PolarHBondContact O-OG1 3.46Å | ||
| 455 | S | 68.8 | Low | 69.2 | Low | 88 Ų | 88 | 75.7 Ų | 75.7 | 62% | 0.615 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -55.3 | -28.6 | 175.7 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | A459 | S455-A459 WeakPolarHBondContact O-CB 3.27Å; S455-A459 PolarHBondContact O-N 3.21Å; S455-A459 VanDerWaalsContact O-N 3.13Å |
| 456 | E | 71.1 | Confident | 69.5 | Low | 162 Ų | 162 | 71 Ų | 71 | 76% | 0.757 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -75.3 | -44.1 | -177.4 | -169.9 | 171.2 | -162.3 | 0 | 0 | 112.6 | S454 T458 A459 A460 | S454-E456 PolarHBondContact O-N 2.87Å; S454-E456 VanDerWaalsContact O-N 3.11Å; E456-T458 VanDerWaalsContact C-N 3.29Å; E456-T458 PolarHBondContact O-N 3.37Å; E456-A459 PolarHBondContact O-N 3.1Å; E456-A460 WeakPolarHBondContact O-CB 3.48Å; E456-A460 PolarHBondContact O-N 3.06Å |
| 457 | L | 72 | Confident | 70.2 | Confident | 91 Ų | 91 | 70 Ų | 70 | 48% | 0.476 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 175.3 | -75.6 | 169 | 0 | 0 | 0 | 111.6 | S454 A460 R461 | S454-L457 PolarHBondContact O-N 3.39Å; S454-L457 WeakPolarHBondContact OG-CD1 3.39Å; S454-L457 WeakPolarHBondContact OG-CG 3.42Å; S454-L457 PolarHBondContact OG-N 3.04Å; L457-A460 PolarHBondContact O-N 2.85Å; L457-R461 VanDerWaalsContact O-CG 3.3Å; L457-R461 WeakPolarHBondContact O-CG 3.45Å; L457-R461 PolarHBondContact O-N 2.9Å |
| 458 | T | 71.6 | Confident | 71.2 | Confident | 11 Ų | 11 | 70 Ų | 70 | 7% | 0.067 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65 | -44.4 | 177.4 | -54.5 | 0 | 0 | 0 | 0 | 110.8 | M450 S454 E456 R461 L462 | M450-T458 HydrophobicContact SD-CG2 4.22Å; S454-T458 PolarHBondContact O-N 3.38Å; S454-T458 PolarHBondContact O-OG1 3.46Å; E456-T458 VanDerWaalsContact C-N 3.29Å; E456-T458 PolarHBondContact O-N 3.37Å; T458-R461 PolarHBondContact O-N 3.18Å; T458-L462 PolarHBondContact O-N 2.6Å |
| 459 | A | 78.3 | Confident | 72.9 | Confident | 44 Ų | 44 | 69 Ų | 69 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S455 E456 R461 L462 S463 | S455-A459 WeakPolarHBondContact O-CB 3.27Å; S455-A459 PolarHBondContact O-N 3.21Å; S455-A459 VanDerWaalsContact O-N 3.13Å; E456-A459 PolarHBondContact O-N 3.1Å; A459-R461 VanDerWaalsContact C-N 3.32Å; A459-R461 PolarHBondContact O-N 2.98Å; A459-L462 PolarHBondContact O-N 2.94Å; A459-S463 WeakPolarHBondContact O-CB 3.41Å; A459-S463 PolarHBondContact O-N 2.84Å; A459-S463 PolarHBondContact O-OG 3.43Å |
| 460 | A | 79.9 | Confident | 75.2 | Confident | 58 Ų | 58 | 64.4 Ų | 64.4 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E456 L457 R464 | E456-A460 WeakPolarHBondContact O-CB 3.48Å; E456-A460 PolarHBondContact O-N 3.06Å; L457-A460 PolarHBondContact O-N 2.85Å; A460-R464 WeakPolarHBondContact O-CB 3.43Å; A460-R464 PolarHBondContact O-N 2.85Å |
| 461 | R | 82.7 | Confident | 77.4 | Confident | 100 Ų | 100 | 62.5 Ų | 62.5 | 38% | 0.377 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.4 | -46.7 | 175.2 | -73.1 | 173.5 | -176.4 | -157.6 | 1.5 | 112.2 | F446 Q453 L457 T458 A459 R464 E465 | F446-R461 HydrophobicContact CD1-CB 4.33Å; Q453-R461 VanDerWaalsContact NE2-NH1 3.12Å; L457-R461 VanDerWaalsContact O-CG 3.3Å; L457-R461 WeakPolarHBondContact O-CG 3.45Å; L457-R461 PolarHBondContact O-N 2.9Å; T458-R461 PolarHBondContact O-N 3.18Å; A459-R461 VanDerWaalsContact C-N 3.32Å; A459-R461 PolarHBondContact O-N 2.98Å; R461-R464 PolarHBondContact O-N 3.07Å; R461-E465 PolarHBondContact O-N 2.94Å |
| 462 | L | 84.4 | Confident | 79.5 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.037 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.4 | -49.7 | 176.3 | 178.9 | 63.9 | 0 | 0 | 0 | 110.4 | A287 V441 M443 F446 T458 A459 R464 E465 V466 | A287-L462 HydrophobicContact CB-CD2 3.72Å; A287-L462 HydrophobicContact CB-CG 3.98Å; V441-L462 HydrophobicContact CG1-CD1 3.93Å; M443-L462 HydrophobicContact CE-CD2 3.91Å; M443-L462 HydrophobicContact CG-CD2 4.29Å; M443-L462 HydrophobicContact SD-CD2 4.47Å; F446-L462 HydrophobicContact CD2-CD1 4.07Å; F446-L462 HydrophobicContact CG-CD1 4.47Å; T458-L462 PolarHBondContact O-N 2.6Å; A459-L462 PolarHBondContact O-N 2.94Å; L462-R464 VanDerWaalsContact C-N 3.33Å; L462-R464 PolarHBondContact O-N 2.88Å; L462-E465 PolarHBondContact O-N 2.77Å; L462-V466 HydrophobicContact CD1-CG2 3.76Å; L462-V466 HydrophobicContact CG-CG2 4.09Å; L462-V466 VanDerWaalsContact O-CB 3.32Å; L462-V466 WeakPolarHBondContact O-CB 3.49Å; L462-V466 WeakPolarHBondContact O-CG2 3.46Å; L462-V466 PolarHBondContact O-N 2.73Å |
| 463 | S | 88.3 | Confident | 81.9 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -54.6 | -46 | 176.4 | -70.9 | 0 | 0 | 0 | 0 | 113.2 | A287 I291 A459 V466 L467 | A287-S463 WeakPolarHBondContact CA-OG 3.31Å; A287-S463 WeakPolarHBondContact O-CB 3.26Å; A287-S463 PolarHBondContact O-OG 3.29Å; I291-S463 VanDerWaalsContact CD1-CB 3.47Å; A459-S463 WeakPolarHBondContact O-CB 3.41Å; A459-S463 PolarHBondContact O-N 2.84Å; A459-S463 PolarHBondContact O-OG 3.43Å; S463-V466 PolarHBondContact O-N 3.39Å; S463-L467 WeakPolarHBondContact O-CB 3.38Å; S463-L467 PolarHBondContact O-N 2.98Å; S463-L467 VanDerWaalsContact O-N 3.12Å |
| 464 | R | 87.5 | Confident | 84.2 | Confident | 199 Ų | 199 | 59.1 Ų | 59.1 | 75% | 0.751 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.5 | -48.1 | 177.8 | 176.5 | 179.6 | 174.1 | 155.8 | 1.8 | 111.3 | A460 R461 L462 A468 | A460-R464 WeakPolarHBondContact O-CB 3.43Å; A460-R464 PolarHBondContact O-N 2.85Å; R461-R464 PolarHBondContact O-N 3.07Å; L462-R464 VanDerWaalsContact C-N 3.33Å; L462-R464 PolarHBondContact O-N 2.88Å; R464-A468 WeakPolarHBondContact O-CB 3.49Å; R464-A468 PolarHBondContact O-N 3.23Å; R464-A468 VanDerWaalsContact O-N 3.1Å |
| 465 | E | 86.7 | Confident | 86 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 39% | 0.388 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | -178.9 | -166.2 | 70.3 | -169.5 | 0 | 0 | 112 | Q439 V441 F446 R461 L462 L467 A468 | Q439-E465 PolarHBondContact NE2-O 3.05Å; V441-E465 HydrophobicContact CG1-CB 4.38Å; V441-E465 HydrophobicContact CG1-CG 4.09Å; V441-E465 HydrophobicContact CG2-CB 4.4Å; V441-E465 HydrophobicContact CG2-CG 3.84Å; F446-E465 HydrophobicContact CE1-CB 4.1Å; F446-E465 HydrophobicContact CE1-CG 4.3Å; F446-E465 HydrophobicContact CE2-CB 4.5Å; F446-E465 HydrophobicContact CE2-CG 4.29Å; F446-E465 HydrophobicContact CZ-CB 3.8Å; F446-E465 HydrophobicContact CZ-CG 3.59Å; R461-E465 PolarHBondContact O-N 2.94Å; L462-E465 PolarHBondContact O-N 2.77Å; E465-L467 VanDerWaalsContact C-N 3.28Å; E465-L467 PolarHBondContact O-N 3.47Å; E465-A468 PolarHBondContact O-N 2.86Å |
| 466 | V | 89.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67 | -31.7 | -175.6 | 176.2 | 0 | 0 | 0 | 0 | 112 | V288 I404 V406 V441 L462 S463 | V288-V466 HydrophobicContact CG2-CB 4.28Å; V288-V466 HydrophobicContact CG2-CG1 3.3Å; I404-V466 HydrophobicContact CD1-CG1 4.18Å; I404-V466 HydrophobicContact CG2-CG1 3.33Å; V406-V466 HydrophobicContact CG2-CG1 4.24Å; V406-V466 HydrophobicContact CG2-CG2 4.14Å; V441-V466 HydrophobicContact CB-CG2 3.88Å; V441-V466 HydrophobicContact CG1-CG2 3.91Å; V441-V466 HydrophobicContact CG2-CB 4.4Å; V441-V466 HydrophobicContact CG2-CG2 3.81Å; L462-V466 HydrophobicContact CD1-CG2 3.76Å; L462-V466 HydrophobicContact CG-CG2 4.09Å; L462-V466 VanDerWaalsContact O-CB 3.32Å; L462-V466 WeakPolarHBondContact O-CB 3.49Å; L462-V466 WeakPolarHBondContact O-CG2 3.46Å; L462-V466 PolarHBondContact O-N 2.73Å; S463-V466 PolarHBondContact O-N 3.39Å |
| 467 | L | 91.3 | Very high | 88.6 | Confident | 27 Ų | 27 | 48.6 Ų | 48.6 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -102.2 | -0.1 | -178.3 | -65.2 | 175.3 | 0 | 0 | 0 | 114.1 | V288 I291 V292 I404 S463 E465 E469 I470 P471 | V288-L467 HydrophobicContact CG1-CD2 4.23Å; I291-L467 HydrophobicContact CB-CD1 3.69Å; I291-L467 HydrophobicContact CD1-CD1 3.77Å; I291-L467 HydrophobicContact CG1-CD1 4.33Å; I291-L467 HydrophobicContact CG2-CD1 3.54Å; V292-L467 HydrophobicContact CG1-CD1 4.29Å; V292-L467 HydrophobicContact CG1-CD2 3.84Å; I404-L467 HydrophobicContact CD1-CD2 3.95Å; S463-L467 WeakPolarHBondContact O-CB 3.38Å; S463-L467 PolarHBondContact O-N 2.98Å; S463-L467 VanDerWaalsContact O-N 3.12Å; E465-L467 VanDerWaalsContact C-N 3.28Å; E465-L467 PolarHBondContact O-N 3.47Å; L467-E469 VanDerWaalsContact C-N 3.29Å; L467-E469 PolarHBondContact O-N 3.38Å; L467-I470 HydrophobicContact CD2-CG1 4.15Å; L467-I470 PolarHBondContact O-N 3.47Å; L467-P471 WeakPolarHBondContact O-CD 3.37Å |
| 468 | A | 89.2 | Confident | 89.7 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 38% | 0.38 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -41.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R464 E465 | R464-A468 WeakPolarHBondContact O-CB 3.49Å; R464-A468 PolarHBondContact O-N 3.23Å; R464-A468 VanDerWaalsContact O-N 3.1Å; E465-A468 PolarHBondContact O-N 2.86Å |
| 469 | E | 93 | Very high | 90.8 | Very high | 43 Ų | 43 | 50.4 Ų | 50.4 | 20% | 0.201 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -18.7 | -173.8 | -61 | -151.6 | 156.1 | 0 | 0 | 114.7 | Q439 L467 P471 F472 Q473 | Q439-E469 HydrophobicContact CG-CG 4.41Å; Q439-E469 VanDerWaalsContact OE1-CG 3.26Å; Q439-E469 PolarHBondContact OE1-OE1 2.91Å; L467-E469 VanDerWaalsContact C-N 3.29Å; L467-E469 PolarHBondContact O-N 3.38Å; E469-P471 VanDerWaalsContact C-N 3.34Å; E469-F472 PolarHBondContact O-N 2.93Å; E469-Q473 HydrophobicContact CB-CG 4.07Å; E469-Q473 WeakPolarHBondContact O-CG 3.49Å; E469-Q473 PolarHBondContact O-N 2.9Å; E469-Q473 PolarHBondContact OE2-NE2 3.32Å |
| 470 | I | 94.6 | Very high | 91.5 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.5 | -45.1 | -172.5 | -63.4 | -61.8 | 0 | 0 | 0 | 112.4 | I374 I404 L467 F472 Q473 F474 | I374-I470 HydrophobicContact CD1-CG2 3.83Å; I374-I470 HydrophobicContact CG1-CD1 4.49Å; I374-I470 HydrophobicContact CG1-CG2 4.43Å; I374-I470 HydrophobicContact CG2-CD1 4.3Å; I404-I470 HydrophobicContact CD1-CD1 3.84Å; I404-I470 HydrophobicContact CD1-CG1 4.05Å; I404-I470 HydrophobicContact CG1-CD1 3.89Å; L467-I470 HydrophobicContact CD2-CG1 4.15Å; L467-I470 PolarHBondContact O-N 3.47Å; I470-F472 VanDerWaalsContact C-N 3.32Å; I470-F472 PolarHBondContact O-N 2.85Å; I470-Q473 PolarHBondContact O-N 3.04Å; I470-F474 WeakPolarHBondContact O-CB 3.33Å; I470-F474 PolarHBondContact O-N 2.91Å |
| 471 | P | 94.4 | Very high | 92.2 | Very high | 41 Ų | 41 | 51.4 Ų | 51.4 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 175.9 | -26.3 | 37 | 0 | 0 | 0 | 113.4 | F239 L467 E469 L475 | F239-P471 HydrophobicContact CB-CB 3.94Å; F239-P471 HydrophobicContact CD1-CB 4.48Å; F239-P471 HydrophobicContact CD2-CB 4.29Å; F239-P471 HydrophobicContact CG-CB 4.01Å; F239-P471 HydrophobicContact CG-CG 4.46Å; L467-P471 WeakPolarHBondContact O-CD 3.37Å; E469-P471 VanDerWaalsContact C-N 3.34Å; P471-L475 WeakPolarHBondContact O-CB 3.25Å; P471-L475 WeakPolarHBondContact O-CG 3.06Å; P471-L475 PolarHBondContact O-N 3.19Å |
| 472 | F | 93.8 | Very high | 92.7 | Very high | 158 Ų | 158 | 54.7 Ų | 54.7 | 69% | 0.693 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -73.7 | -42.8 | -179.7 | -64 | -70.5 | 0 | 0 | 0 | 112 | E469 I470 F474 L475 S476 | E469-F472 PolarHBondContact O-N 2.93Å; I470-F472 VanDerWaalsContact C-N 3.32Å; I470-F472 PolarHBondContact O-N 2.85Å; F472-F474 VanDerWaalsContact C-N 3.28Å; F472-F474 PolarHBondContact O-N 3.2Å; F472-L475 PolarHBondContact O-N 3.08Å; F472-S476 VanDerWaalsContact O-CB 3.26Å; F472-S476 WeakPolarHBondContact O-CB 3.35Å; F472-S476 PolarHBondContact O-N 3.37Å |
| 473 | Q | 96.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 175.8 | -64.9 | 178.8 | -2.6 | 0 | 0 | 111 | Y372 S402 R435 D436 E469 I470 F477 | Y372-Q473 PolarHBondContact OH-O 3.29Å; S402-Q473 WeakPolarHBondContact OG-CB 3.47Å; S402-Q473 PolarHBondContact OG-OE1 2.71Å; R435-Q473 PolarHBondContact NH1-O 2.72Å; D436-Q473 HydrophobicContact CB-CG 4.4Å; D436-Q473 WeakPolarHBondContact O-CG 3.09Å; E469-Q473 HydrophobicContact CB-CG 4.07Å; E469-Q473 WeakPolarHBondContact O-CG 3.49Å; E469-Q473 PolarHBondContact O-N 2.9Å; E469-Q473 PolarHBondContact OE2-NE2 3.32Å; I470-Q473 PolarHBondContact O-N 3.04Å; Q473-F477 PolarHBondContact O-N 3.37Å |
| 474 | F | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -53.5 | 172.1 | 177.3 | -79.7 | 0 | 0 | 0 | 112.1 | F239 Y242 T247 L249 Y372 I470 F472 S476 F477 M478 | F239-F474 HydrophobicContact CD2-CB 4.08Å; F239-F474 AromaticContact CD2-CD1 3.78Å; F239-F474 HydrophobicContact CD2-CD1 3.78Å; F239-F474 HydrophobicContact CD2-CD2 4.24Å; F239-F474 HydrophobicContact CD2-CE1 4.27Å; F239-F474 AromaticContact CD2-CG 3.78Å; F239-F474 HydrophobicContact CD2-CG 3.78Å; F239-F474 HydrophobicContact CE2-CB 4.35Å; F239-F474 HydrophobicContact CE2-CD1 4.46Å; F239-F474 HydrophobicContact CE2-CD2 4.12Å; F239-F474 HydrophobicContact CE2-CG 4.07Å; Y242-F474 HydrophobicContact CD1-CE1 4.26Å; Y242-F474 HydrophobicContact CD1-CZ 4.45Å; Y242-F474 AromaticContact CD2-CE1 3.64Å; Y242-F474 HydrophobicContact CD2-CE1 3.64Å; Y242-F474 HydrophobicContact CD2-CZ 4.44Å; Y242-F474 HydrophobicContact CE2-CE1 4.36Å; Y242-F474 AromaticContact CG-CE1 3.57Å; Y242-F474 HydrophobicContact CG-CE1 3.57Å; Y242-F474 AromaticContact CG-CZ 3.94Å; Y242-F474 HydrophobicContact CG-CZ 3.94Å; T247-F474 HydrophobicContact CG2-CE2 3.62Å; T247-F474 HydrophobicContact CG2-CZ 3.72Å; L249-F474 HydrophobicContact CD2-CD2 4.15Å; L249-F474 HydrophobicContact CD2-CE2 3.96Å; Y372-F474 AromaticContact CD1-CD2 3.82Å; Y372-F474 HydrophobicContact CD1-CD2 3.82Å; Y372-F474 AromaticContact CD2-CD2 3.52Å; Y372-F474 HydrophobicContact CD2-CD2 3.52Å; Y372-F474 AromaticContact CD2-CE2 3.99Å; Y372-F474 HydrophobicContact CD2-CE2 3.99Å; Y372-F474 HydrophobicContact CD2-CG 4.3Å; Y372-F474 HydrophobicContact CE1-CB 4.4Å; Y372-F474 HydrophobicContact CE1-CD2 4.29Å; Y372-F474 HydrophobicContact CE2-CB 4.28Å; Y372-F474 HydrophobicContact CE2-CD2 4.02Å; Y372-F474 HydrophobicContact CE2-CG 4.4Å; Y372-F474 AromaticContact CG-CD2 3.41Å; Y372-F474 HydrophobicContact CG-CD2 3.41Å; Y372-F474 VanDerWaalsContact CG-CD2 3.41Å; Y372-F474 AromaticContact CG-CE2 3.84Å; Y372-F474 HydrophobicContact CG-CE2 3.84Å; Y372-F474 HydrophobicContact CG-CG 4.48Å; I470-F474 WeakPolarHBondContact O-CB 3.33Å; I470-F474 PolarHBondContact O-N 2.91Å; F472-F474 VanDerWaalsContact C-N 3.28Å; F472-F474 PolarHBondContact O-N 3.2Å; F474-S476 VanDerWaalsContact C-N 3.27Å; F474-S476 PolarHBondContact O-N 2.92Å; F474-F477 WeakPolarHBondContact O-CB 3.16Å; F474-F477 PolarHBondContact O-N 3.48Å; F474-F477 VanDerWaalsContact O-N 3.12Å; F474-M478 HydrophobicContact CD1-CG 4.12Å; F474-M478 HydrophobicContact CE1-CE 3.67Å; F474-M478 HydrophobicContact CE1-CG 3.7Å; F474-M478 HydrophobicContact CE2-CE 3.69Å; F474-M478 HydrophobicContact CZ-CE 3.17Å; F474-M478 HydrophobicContact CZ-CG 4.22Å; F474-M478 PolarHBondContact O-N 2.97Å; F474-M478 VanDerWaalsContact O-N 3.12Å |
| 475 | L | 95.5 | Very high | 93.8 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.7 | -35.4 | -178.7 | -72.7 | 173.7 | 0 | 0 | 0 | 111.8 | D237 Y242 P471 F472 F477 M478 K479 | D237-L475 VanDerWaalsContact O-CD2 3.24Å; D237-L475 WeakPolarHBondContact O-CD2 3.3Å; Y242-L475 HydrophobicContact CD2-CD2 3.97Å; Y242-L475 HydrophobicContact CE2-CD2 3.6Å; P471-L475 WeakPolarHBondContact O-CB 3.25Å; P471-L475 WeakPolarHBondContact O-CG 3.06Å; P471-L475 PolarHBondContact O-N 3.19Å; F472-L475 PolarHBondContact O-N 3.08Å; L475-F477 VanDerWaalsContact C-N 3.32Å; L475-F477 PolarHBondContact O-N 3.19Å; L475-M478 PolarHBondContact O-N 3.28Å; L475-K479 VanDerWaalsContact O-CB 3.29Å; L475-K479 WeakPolarHBondContact O-CB 3.32Å; L475-K479 PolarHBondContact O-N 3.33Å |
| 476 | S | 95.2 | Very high | 94.2 | Very high | 45 Ų | 45 | 47.8 Ų | 47.8 | 32% | 0.315 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.7 | -42.6 | 174.1 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | R435 F472 F474 S480 | R435-S476 WeakPolarHBondContact CD-OG 3.37Å; F472-S476 VanDerWaalsContact O-CB 3.26Å; F472-S476 WeakPolarHBondContact O-CB 3.35Å; F472-S476 PolarHBondContact O-N 3.37Å; F474-S476 VanDerWaalsContact C-N 3.27Å; F474-S476 PolarHBondContact O-N 2.92Å; S476-S480 WeakPolarHBondContact O-CB 3.19Å; S476-S480 PolarHBondContact O-N 3.27Å |
| 477 | F | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -53.3 | 173.4 | 170.9 | -98.6 | 0 | 0 | 0 | 111.6 | M367 Y372 L399 P400 Q473 F474 L475 K479 S480 K481 I483 | M367-F477 HydrophobicContact CE-CE2 4.13Å; Y372-F477 HydrophobicContact CD2-CD1 4.25Å; Y372-F477 HydrophobicContact CE2-CB 3.86Å; Y372-F477 HydrophobicContact CE2-CD1 4.21Å; Y372-F477 HydrophobicContact CE2-CG 4.14Å; L399-F477 WeakPolarHBondContact O-CD2 3.03Å; P400-F477 HydrophobicContact CB-CD1 3.95Å; P400-F477 HydrophobicContact CB-CD2 4.25Å; P400-F477 HydrophobicContact CB-CE1 3.64Å; P400-F477 HydrophobicContact CB-CE2 3.94Å; P400-F477 HydrophobicContact CB-CG 4.25Å; P400-F477 HydrophobicContact CB-CZ 3.63Å; P400-F477 HydrophobicContact CG-CE1 4.47Å; P400-F477 HydrophobicContact CG-CE2 4.33Å; P400-F477 HydrophobicContact CG-CZ 4.05Å; Q473-F477 PolarHBondContact O-N 3.37Å; F474-F477 WeakPolarHBondContact O-CB 3.16Å; F474-F477 PolarHBondContact O-N 3.48Å; F474-F477 VanDerWaalsContact O-N 3.12Å; L475-F477 VanDerWaalsContact C-N 3.32Å; L475-F477 PolarHBondContact O-N 3.19Å; F477-K479 VanDerWaalsContact C-N 3.29Å; F477-K479 PolarHBondContact O-N 3.49Å; F477-S480 WeakPolarHBondContact O-CB 3.35Å; F477-S480 PolarHBondContact O-N 3.44Å; F477-S480 PolarHBondContact O-OG 3.39Å; F477-K481 HydrophobicContact CD2-CG 4.2Å; F477-K481 HydrophobicContact CE1-CG 4.35Å; F477-K481 HydrophobicContact CE2-CD 4.37Å; F477-K481 HydrophobicContact CE2-CG 3.68Å; F477-K481 HydrophobicContact CZ-CG 3.76Å; F477-K481 PolarHBondContact O-N 3.4Å; F477-K481 VanDerWaalsContact O-N 3.12Å; F477-I483 HydrophobicContact CE1-CD1 4.09Å; F477-I483 HydrophobicContact CZ-CD1 4.5Å |
| 478 | M | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.7 | -44 | -177.4 | -64.3 | -57.8 | -172.9 | 0 | 0 | 111.6 | Y242 T247 F474 L475 S480 K481 H482 I483 | Y242-M478 HydrophobicContact CD1-CE 4.04Å; Y242-M478 HydrophobicContact CD1-CG 4.11Å; Y242-M478 HydrophobicContact CD1-SD 4.25Å; Y242-M478 HydrophobicContact CE1-CB 3.98Å; Y242-M478 HydrophobicContact CE1-CE 4.42Å; Y242-M478 HydrophobicContact CE1-CG 3.72Å; Y242-M478 HydrophobicContact CE1-SD 4.03Å; Y242-M478 HydrophobicContact CE2-CB 4.36Å; Y242-M478 HydrophobicContact CE2-CG 4.28Å; T247-M478 HydrophobicContact CG2-CE 4.05Å; F474-M478 HydrophobicContact CD1-CG 4.12Å; F474-M478 HydrophobicContact CE1-CE 3.67Å; F474-M478 HydrophobicContact CE1-CG 3.7Å; F474-M478 HydrophobicContact CE2-CE 3.69Å; F474-M478 HydrophobicContact CZ-CE 3.17Å; F474-M478 HydrophobicContact CZ-CG 4.22Å; F474-M478 PolarHBondContact O-N 2.97Å; F474-M478 VanDerWaalsContact O-N 3.12Å; L475-M478 PolarHBondContact O-N 3.28Å; M478-S480 PolarHBondContact O-N 3.29Å; M478-K481 CarbonylContact O-C 3.54Å; M478-K481 PolarHBondContact O-N 2.84Å; M478-H482 PolarHBondContact O-N 3.49Å; M478-I483 PolarHBondContact O-N 3.2Å; M478-I483 HydrophobicContact SD-CB 4.01Å; M478-I483 HydrophobicContact SD-CD1 4.06Å; M478-I483 HydrophobicContact SD-CG2 3.92Å |
| 479 | K | 92.9 | Very high | 94.8 | Very high | 140 Ų | 140 | 51.2 Ų | 51.2 | 61% | 0.609 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.9 | -42.7 | 175.4 | -172 | 169.8 | -175.9 | 165.8 | 0 | 112 | L475 F477 K481 H482 | L475-K479 VanDerWaalsContact O-CB 3.29Å; L475-K479 WeakPolarHBondContact O-CB 3.32Å; L475-K479 PolarHBondContact O-N 3.33Å; F477-K479 VanDerWaalsContact C-N 3.29Å; F477-K479 PolarHBondContact O-N 3.49Å; K479-K481 PolarHBondContact O-N 3.27Å; K479-H482 PolarHBondContact O-N 2.92Å |
| 480 | S | 94.1 | Very high | 94.8 | Very high | 50 Ų | 50 | 55.6 Ų | 55.6 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.1 | -24.9 | 178.8 | 78.7 | 0 | 0 | 0 | 0 | 113.8 | S476 F477 M478 | S476-S480 WeakPolarHBondContact O-CB 3.19Å; S476-S480 PolarHBondContact O-N 3.27Å; F477-S480 WeakPolarHBondContact O-CB 3.35Å; F477-S480 PolarHBondContact O-N 3.44Å; F477-S480 PolarHBondContact O-OG 3.39Å; M478-S480 PolarHBondContact O-N 3.29Å |
| 481 | K | 94.7 | Very high | 94.6 | Very high | 74 Ų | 74 | 58 Ų | 58 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 3.6 | 179.1 | -56.6 | -51.7 | 175.4 | -171.6 | 0 | 113.5 | M367 T398 F477 M478 K479 I483 | M367-K481 HydrophobicContact CE-CD 4.43Å; T398-K481 VanDerWaalsContact O-CE 3.24Å; T398-K481 WeakPolarHBondContact O-CE 3.47Å; T398-K481 PolarHBondContact O-NZ 2.86Å; F477-K481 HydrophobicContact CD2-CG 4.2Å; F477-K481 HydrophobicContact CE1-CG 4.35Å; F477-K481 HydrophobicContact CE2-CD 4.37Å; F477-K481 HydrophobicContact CE2-CG 3.68Å; F477-K481 HydrophobicContact CZ-CG 3.76Å; F477-K481 PolarHBondContact O-N 3.4Å; F477-K481 VanDerWaalsContact O-N 3.12Å; M478-K481 CarbonylContact O-C 3.54Å; M478-K481 PolarHBondContact O-N 2.84Å; K479-K481 PolarHBondContact O-N 3.27Å; K481-I483 HydrophobicContact CB-CD1 3.54Å; K481-I483 HydrophobicContact CB-CG1 3.78Å; K481-I483 HydrophobicContact CG-CD1 4.3Å; K481-I483 PolarHBondContact O-N 3.38Å |
| 482 | H | 93 | Very high | 94.1 | Very high | 168 Ų | 168 | 57.8 Ų | 57.8 | 78% | 0.778 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 36.9 | -175.8 | -53.5 | -66.6 | 0 | 0 | 0 | 113.5 | M478 K479 | M478-H482 PolarHBondContact O-N 3.49Å; K479-H482 PolarHBondContact O-N 2.92Å |
| 483 | I | 95.1 | Very high | 93.5 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | trans | -94.3 | 126.3 | 179.3 | -59.8 | 163.8 | 0 | 0 | 0 | 108.8 | Y242 M367 F477 M478 K481 D487 V488 | Y242-I483 HydrophobicContact CE1-CG2 4.34Å; Y242-I483 PolarHBondContact OH-O 3.28Å; M367-I483 WeakPolarHBondContact O-CD1 3.42Å; F477-I483 HydrophobicContact CE1-CD1 4.09Å; F477-I483 HydrophobicContact CZ-CD1 4.5Å; M478-I483 PolarHBondContact O-N 3.2Å; M478-I483 HydrophobicContact SD-CB 4.01Å; M478-I483 HydrophobicContact SD-CD1 4.06Å; M478-I483 HydrophobicContact SD-CG2 3.92Å; K481-I483 HydrophobicContact CB-CD1 3.54Å; K481-I483 HydrophobicContact CB-CG1 3.78Å; K481-I483 HydrophobicContact CG-CD1 4.3Å; K481-I483 PolarHBondContact O-N 3.38Å; I483-D487 HydrophobicContact CG2-CB 4.49Å; I483-V488 HydrophobicContact CG2-CG2 4Å | ||
| 484 | T | 94.3 | Very high | 92.3 | Very high | 57 Ų | 57 | 63.8 Ų | 63.8 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | trans | -101.9 | 161.9 | 173.8 | 68.7 | 0 | 0 | 0 | 0 | 111.5 | D237 Y242 D486 D487 V488 | D237-T484 WeakPolarHBondContact OD2-CA 3.49Å; Y242-T484 VanDerWaalsContact CE1-C 3.46Å; T484-D486 PolarHBondContact O-N 3.01Å; T484-D487 WeakPolarHBondContact CB-OD2 3.46Å; T484-D487 PolarHBondContact N-OD2 3.43Å; T484-D487 WeakPolarHBondContact O-CB 3.39Å; T484-D487 PolarHBondContact O-N 2.72Å; T484-D487 VanDerWaalsContact O-N 3.09Å; T484-D487 PolarHBondContact OG1-N 3.3Å; T484-D487 PolarHBondContact OG1-OD2 3.37Å; T484-V488 PolarHBondContact O-N 3.08Å | ||
| 485 | S | 94.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.007 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -28.9 | 174 | 74 | 0 | 0 | 0 | 0 | 111.7 | D237 A245 V488 R489 | D237-S485 VanDerWaalsContact CG-CB 3.46Å; D237-S485 WeakPolarHBondContact OD1-CB 3.41Å; D237-S485 PolarHBondContact OD1-OG 2.98Å; D237-S485 PolarHBondContact OD2-N 3.19Å; D237-S485 PolarHBondContact OD2-OG 3.01Å; A245-S485 VanDerWaalsContact CB-O 3.24Å; A245-S485 WeakPolarHBondContact CB-O 3.27Å; S485-V488 PolarHBondContact O-N 3.01Å; S485-R489 WeakPolarHBondContact O-CG 3.27Å; S485-R489 PolarHBondContact O-N 2.83Å; S485-R489 PolarHBondContact OG-NH2 2.89Å |
| 486 | D | 93.6 | Very high | 88.6 | Confident | 81 Ų | 81 | 76 Ų | 76 | 43% | 0.433 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.9 | -34.8 | 174.1 | -86.3 | -23.4 | 0 | 0 | 0 | 113.1 | T484 R489 K490 | T484-D486 PolarHBondContact O-N 3.01Å; D486-R489 PolarHBondContact O-N 3.05Å; D486-R489 IonicContact OD1-CZ 2.91Å; D486-R489 IonicContact OD1-NH1 2.7Å; D486-R489 PolarHBondContact OD1-NH1 3.43Å; D486-K490 VanDerWaalsContact O-CG 3.28Å; D486-K490 WeakPolarHBondContact O-CG 3.36Å; D486-K490 PolarHBondContact O-N 3.06Å |
| 487 | D | 94.6 | Very high | 86.2 | Confident | 67 Ų | 67 | 76.7 Ų | 76.7 | 36% | 0.358 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 175.5 | -59.2 | -42.9 | 0 | 0 | 0 | 110.4 | I483 T484 R489 K490 M491 | I483-D487 HydrophobicContact CG2-CB 4.49Å; T484-D487 WeakPolarHBondContact CB-OD2 3.46Å; T484-D487 PolarHBondContact N-OD2 3.43Å; T484-D487 WeakPolarHBondContact O-CB 3.39Å; T484-D487 PolarHBondContact O-N 2.72Å; T484-D487 VanDerWaalsContact O-N 3.09Å; T484-D487 PolarHBondContact OG1-N 3.3Å; T484-D487 PolarHBondContact OG1-OD2 3.37Å; D487-R489 PolarHBondContact O-N 2.87Å; D487-K490 PolarHBondContact O-N 3.07Å; D487-K490 IonicContact OD1-NZ 3.77Å; D487-M491 PolarHBondContact O-N 2.87Å |
| 488 | V | 94.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 82.4 Ų | 82.4 | 1% | 0.006 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 174.4 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | Y242 A245 I483 T484 S485 K490 M491 N492 | Y242-V488 HydrophobicContact CD1-CG2 4.1Å; A245-V488 HydrophobicContact CB-CB 3.94Å; A245-V488 HydrophobicContact CB-CG1 3.88Å; I483-V488 HydrophobicContact CG2-CG2 4Å; T484-V488 PolarHBondContact O-N 3.08Å; S485-V488 PolarHBondContact O-N 3.01Å; V488-K490 VanDerWaalsContact C-N 3.32Å; V488-K490 PolarHBondContact O-N 3.39Å; V488-M491 PolarHBondContact O-N 3.01Å; V488-N492 PolarHBondContact O-N 3.42Å |
| 489 | R | 93.8 | Very high | 80.9 | Confident | 79 Ų | 79 | 90.9 Ų | 90.9 | 30% | 0.298 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 176.2 | -73.9 | 172.3 | -157.5 | 141 | 10.4 | 112.2 | A245 S485 D486 D487 R493 | A245-R489 HydrophobicContact CB-CG 3.59Å; S485-R489 WeakPolarHBondContact O-CG 3.27Å; S485-R489 PolarHBondContact O-N 2.83Å; S485-R489 PolarHBondContact OG-NH2 2.89Å; D486-R489 PolarHBondContact O-N 3.05Å; D486-R489 IonicContact OD1-CZ 2.91Å; D486-R489 IonicContact OD1-NH1 2.7Å; D486-R489 PolarHBondContact OD1-NH1 3.43Å; D487-R489 PolarHBondContact O-N 2.87Å; R489-R493 VanDerWaalsContact O-CG 3.29Å; R489-R493 WeakPolarHBondContact O-CG 3.07Å; R489-R493 PolarHBondContact O-N 2.84Å; R489-R493 VanDerWaalsContact O-N 3.1Å |
| 490 | K | 93 | Very high | 78.3 | Confident | 134 Ų | 134 | 92.9 Ų | 92.9 | 58% | 0.583 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.7 | -43.4 | 179.8 | -72.8 | 166.8 | -168.6 | 160.7 | 0 | 111 | D486 D487 V488 R493 C494 | D486-K490 VanDerWaalsContact O-CG 3.28Å; D486-K490 WeakPolarHBondContact O-CG 3.36Å; D486-K490 PolarHBondContact O-N 3.06Å; D487-K490 PolarHBondContact O-N 3.07Å; D487-K490 IonicContact OD1-NZ 3.77Å; V488-K490 VanDerWaalsContact C-N 3.32Å; V488-K490 PolarHBondContact O-N 3.39Å; K490-R493 PolarHBondContact O-N 3.46Å; K490-C494 PolarHBondContact O-N 3.36Å; K490-C494 VanDerWaalsContact O-N 3.08Å |
| 491 | M | 90 | Very high | 75.7 | Confident | 59 Ų | 59 | 96.4 Ų | 96.4 | 29% | 0.291 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.7 | -52.5 | 176.1 | -173.8 | -179.5 | 174.7 | 0 | 0 | 111.2 | D368 D487 V488 R493 C494 D495 | D368-M491 HydrophobicContact CB-SD 4.21Å; D368-M491 WeakPolarHBondContact OD2-CE 3.48Å; D487-M491 PolarHBondContact O-N 2.87Å; V488-M491 PolarHBondContact O-N 3.01Å; M491-R493 PolarHBondContact O-N 3.16Å; M491-C494 WeakPolarHBondContact O-CB 3.46Å; M491-C494 PolarHBondContact O-N 3.28Å; M491-D495 PolarHBondContact O-N 2.79Å |
| 492 | N | 84.3 | Confident | 72.9 | Confident | 35 Ų | 35 | 102.4 Ų | 102.4 | 19% | 0.187 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -65.4 | -22 | -179.9 | -75.7 | -27.1 | 0 | 0 | 0 | 114.4 | A245 G246 V488 | A245-N492 PolarHBondContact O-ND2 2.99Å; G246-N492 WeakPolarHBondContact CA-ND2 3.24Å; G246-N492 PolarHBondContact O-ND2 3.37Å; G246-N492 VanDerWaalsContact O-ND2 3.11Å; V488-N492 PolarHBondContact O-N 3.42Å |
| 493 | R | 82.1 | Confident | 70.1 | Confident | 189 Ų | 189 | 103.7 Ų | 103.7 | 71% | 0.713 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -77.7 | -35.8 | 170.8 | -76.1 | 175.6 | -177 | -172.9 | 3.2 | 112 | R489 K490 M491 K496 A497 | R489-R493 VanDerWaalsContact O-CG 3.29Å; R489-R493 WeakPolarHBondContact O-CG 3.07Å; R489-R493 PolarHBondContact O-N 2.84Å; R489-R493 VanDerWaalsContact O-N 3.1Å; K490-R493 PolarHBondContact O-N 3.46Å; M491-R493 PolarHBondContact O-N 3.16Å; R493-K496 PolarHBondContact O-N 2.99Å; R493-A497 PolarHBondContact O-N 3.11Å |
| 494 | C | 71.2 | Confident | 67.3 | Low | 98 Ų | 98 | 107 Ų | 107 | 66% | 0.662 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.8 | -38.3 | -178.5 | -139.4 | 0 | 0 | 0 | 0 | 111.5 | K490 M491 K496 A497 | K490-C494 PolarHBondContact O-N 3.36Å; K490-C494 VanDerWaalsContact O-N 3.08Å; M491-C494 WeakPolarHBondContact O-CB 3.46Å; M491-C494 PolarHBondContact O-N 3.28Å; C494-K496 PolarHBondContact O-N 3.45Å; C494-A497 WeakPolarHBondContact O-CB 3.19Å; C494-A497 PolarHBondContact O-N 2.71Å; C494-A497 VanDerWaalsContact O-N 3.16Å |
| 495 | D | 60.6 | Low | 64.4 | Low | 122 Ų | 122 | 109.8 Ų | 109.8 | 65% | 0.652 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -21.3 | 175.2 | -70.1 | -25.5 | 0 | 0 | 0 | 113.4 | M491 | M491-D495 PolarHBondContact O-N 2.79Š|
| 496 | K | 54.8 | Low | 61.7 | Low | 177 Ų | 177 | 115.8 Ų | 115.8 | 77% | 0.77 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -2 | 176 | -69.3 | -176.3 | -178 | 179.7 | 0 | 114 | R493 C494 | R493-K496 PolarHBondContact O-N 2.99Å; C494-K496 PolarHBondContact O-N 3.45Å |
| 497 | A | 43.5 | Very low | 59 | Low | 61 Ų | 61 | 120 Ų | 120 | 50% | 0.504 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -62 | 125.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | R493 C494 Q499 | R493-A497 PolarHBondContact O-N 3.11Å; C494-A497 WeakPolarHBondContact O-CB 3.19Å; C494-A497 PolarHBondContact O-N 2.71Å; C494-A497 VanDerWaalsContact O-N 3.16Å; A497-Q499 PolarHBondContact O-N 3.07Å |
| 498 | P | 43.8 | Very low | 56.4 | Low | 119 Ų | 119 | 126.5 Ų | 126.5 | 77% | 0.773 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 116.8 | -175.6 | 22 | -30 | 0 | 0 | 0 | 108.6 | H500 | P498-H500 PolarHBondContact O-N 2.9Å; P498-H500 VanDerWaalsContact O-N 3.07Å |
| 499 | Q | 40.1 | Very low | 53.7 | Low | 178 Ų | 178 | 129.9 Ų | 129.9 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 123.1 | 166.4 | -70 | -173 | -5.5 | 0 | 0 | 106.8 | A497 V501 | A497-Q499 PolarHBondContact O-N 3.07Å; Q499-V501 VanDerWaalsContact C-N 3.28Å; Q499-V501 PolarHBondContact O-N 2.68Å |
| 500 | H | 39.4 | Very low | 51.1 | Low | 183 Ų | 183 | 133.6 Ų | 133.6 | 85% | 0.847 | 71% | 0.71 | S | S | * | * | trans | -53.9 | 96.8 | 176.9 | -88.7 | -88.6 | 0 | 0 | 0 | 108.4 | P498 F502 | P498-H500 PolarHBondContact O-N 2.9Å; P498-H500 VanDerWaalsContact O-N 3.07Å; H500-F502 VanDerWaalsContact C-N 3.33Å; H500-F502 PolarHBondContact O-N 2.78Å | ||
| 501 | V | 39.6 | Very low | 48.7 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | -63.9 | 103.3 | 167.9 | 179.1 | 0 | 0 | 0 | 0 | 104.4 | Q499 K503 | Q499-V501 VanDerWaalsContact C-N 3.28Å; Q499-V501 PolarHBondContact O-N 2.68Å; V501-K503 PolarHBondContact O-N 2.91Å | ||
| 502 | F | 34.9 | Very low | 46.5 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | trans | -54 | 97.2 | 163.7 | -93 | -91.6 | 0 | 0 | 0 | 106.7 | H500 A504 | H500-F502 VanDerWaalsContact C-N 3.33Å; H500-F502 PolarHBondContact O-N 2.78Å; F502-A504 VanDerWaalsContact C-N 3.25Å; F502-A504 PolarHBondContact O-N 3.06Å | ||
| 503 | K | 33.7 | Very low | 44.4 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -68.1 | 91.7 | 170.2 | -82.1 | -176.7 | 175.7 | 176.7 | 0 | 106.7 | V501 S505 | V501-K503 PolarHBondContact O-N 2.91Å; K503-S505 PolarHBondContact O-N 2.88Å | ||
| 504 | A | 36.7 | Very low | 42.8 | Very low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -59.9 | 109.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | F502 V506 | F502-A504 VanDerWaalsContact C-N 3.25Å; F502-A504 PolarHBondContact O-N 3.06Å; A504-V506 PolarHBondContact O-N 3Å | ||
| 505 | S | 33.8 | Very low | 41.7 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -65.3 | 95.4 | 172.4 | 51.4 | 0 | 0 | 0 | 0 | 109.1 | K503 | K503-S505 PolarHBondContact O-N 2.88Š| ||
| 506 | V | 37.9 | Very low | 41.3 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -99.4 | 109.9 | 166.8 | -178 | 0 | 0 | 0 | 0 | 107.7 | A504 K508 | A504-V506 PolarHBondContact O-N 3Å; V506-K508 PolarHBondContact O-N 3.49Å | ||
| 507 | L | 37.2 | Very low | 40.7 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | trans | -47.7 | 117.1 | 171.8 | -80 | 125.2 | 0 | 0 | 0 | 110.6 | G509 | L507-G509 PolarHBondContact O-N 3.23Š| ||
| 508 | K | 40.2 | Very low | 40.8 | Very low | 205 Ų | 205 | 141.9 Ų | 141.9 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -74.2 | 105.9 | 167.4 | -82.6 | -176.3 | 174.1 | -178.2 | 0 | 108.9 | V506 L510 | V506-K508 PolarHBondContact O-N 3.49Å; K508-L510 PolarHBondContact O-N 3.23Å | ||
| 509 | G | 38.4 | Very low | 41.2 | Very low | 71 Ų | 71 | 146 Ų | 146 | 73% | 0.732 | 83% | 0.833 | S | S | * | * | trans | -59.9 | 128.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L507 N511 | L507-G509 PolarHBondContact O-N 3.23Å; G509-N511 PolarHBondContact O-N 3.38Å | ||
| 510 | L | 38.9 | Very low | 41.2 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | trans | -68.9 | 109.9 | 171.1 | -73.9 | 139.2 | 0 | 0 | 0 | 109.1 | K508 | K508-L510 PolarHBondContact O-N 3.23Š| ||
| 511 | N | 41.7 | Very low | 41.3 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -106.7 | 86.3 | 161 | -85.7 | -10.4 | 0 | 0 | 0 | 108.1 | G509 | G509-N511 PolarHBondContact O-N 3.38Š| ||
| 512 | T | 43.8 | Very low | 41.4 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 72% | 0.718 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 127.4 | 161.9 | 39.6 | 0 | 0 | 0 | 0 | 109 | ||
| 513 | P | 41.3 | Very low | 41.8 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 149.3 | 178.9 | 28.5 | -31.8 | 0 | 0 | 0 | 111.7 | ||
| 514 | P | 46.8 | Very low | 42.3 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 84% | 0.844 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 134.3 | -174.8 | 26.8 | -31.7 | 0 | 0 | 0 | 112.8 | ||
| 515 | E | 48.6 | Very low | 42.7 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 136.8 | 174.7 | -111.4 | 169.4 | 165 | 0 | 0 | 111.8 | ||
| 516 | A | 52 | Low | 43.3 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 73% | 0.727 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 145.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 517 | P | 43.6 | Very low | 43.8 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 78% | 0.779 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 148 | -177.6 | 12.8 | -5.3 | 0 | 0 | 0 | 111.8 | ||
| 518 | P | 45.4 | Very low | 44.3 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 160.2 | 176.2 | 20.4 | -14.8 | 0 | 0 | 0 | 111.9 | ||
| 519 | P | 51 | Low | 44.7 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 100% | 1.325 | 84% | 0.843 | S | S | * | * | trans | -66.2 | 0 | -170.4 | 27.7 | -35.1 | 0 | 0 | 0 | 114.8 |
Retrieved 519 of 519 residues in 544.4 ms
(Link to these results)