| 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 | 53.5 | Low | 92.1 | Very high | 235 Ų | 235 | 86.2 Ų | 86.2 | 100% | 1.158 | 47% | 0.474 | S | S | * | . | 0 | 152.2 | 0 | -66.9 | -168.4 | -159 | 0 | 0 | 108.1 | |||||
| 2 | P | 82.8 | Confident | 92.6 | Very high | 122 Ų | 122 | 86 Ų | 86 | 79% | 0.792 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -58 | 142.1 | 172.9 | 25 | -32.9 | 0 | 0 | 0 | 110.3 | ||
| 3 | K | 92.5 | Very high | 93.1 | Very high | 80 Ų | 80 | 82.9 Ų | 82.9 | 35% | 0.348 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -56 | 123.4 | 178.2 | 172.9 | 176.8 | 164.7 | -180 | 0 | 109.3 | Y99 Q115 I118 | K3-Y99 WeakPolarHBondContact CE-OH 3.36Å; K3-Q115 WeakPolarHBondContact CE-O 3.39Å; K3-Q115 PolarHBondContact NZ-O 3.5Å; K3-I118 PolarHBondContact NZ-O 2.82Å |
| 4 | P | 95.9 | Very high | 93.5 | Very high | 42 Ų | 42 | 77.1 Ų | 77.1 | 27% | 0.273 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -69 | 148.3 | 178 | 25.5 | -28.7 | 0 | 0 | 0 | 110.3 | F6 Y99 W111 | P4-F6 PolarHBondContact O-N 3.19Å; P4-Y99 HydrophobicContact CG-CE1 4.1Å; P4-Y99 WeakPolarHBondContact O-CE1 3.32Å; P4-Y99 PolarHBondContact O-OH 2.88Å; P4-W111 HydrophobicContact CG-CH2 3.83Å; P4-W111 HydrophobicContact CG-CZ2 3.96Å |
| 5 | P | 96.8 | Very high | 93.8 | Very high | 97 Ų | 97 | 78.5 Ų | 78.5 | 63% | 0.63 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -64.3 | -28 | 179.6 | 26.5 | -34.7 | 0 | 0 | 0 | 112.8 | P97 Y99 | P5-P97 WeakPolarHBondContact O-CA 3.44Å; P5-P97 VanDerWaalsContact O-CB 3.28Å; P5-P97 WeakPolarHBondContact O-CB 3.42Å; P5-Y99 PolarHBondContact O-OH 3.31Å |
| 6 | F | 98.3 | Very high | 94.1 | Very high | 72 Ų | 72 | 81.6 Ų | 81.6 | 32% | 0.316 | 44% | 0.441 | S | S | . | . | trans | -163 | 166.8 | 172 | 58.8 | -97 | 0 | 0 | 0 | 108.6 | P4 V8 I11 A92 V98 | P4-F6 PolarHBondContact O-N 3.19Å; F6-V8 HydrophobicContact CD2-CG1 4.49Å; F6-V8 HydrophobicContact CD2-CG2 4.11Å; F6-V8 HydrophobicContact CE2-CG2 4.21Å; F6-I11 HydrophobicContact CE2-CB 4.47Å; F6-I11 HydrophobicContact CE2-CD1 3.94Å; F6-I11 HydrophobicContact CE2-CG1 4.25Å; F6-I11 HydrophobicContact CZ-CD1 4.02Å; F6-I11 HydrophobicContact CZ-CG1 4.14Å; F6-A92 HydrophobicContact CB-CB 4.12Å; F6-A92 HydrophobicContact CD1-CB 4.22Å; F6-A92 HydrophobicContact CD2-CB 3.92Å; F6-A92 HydrophobicContact CE2-CB 4.39Å; F6-A92 HydrophobicContact CG-CB 3.84Å; F6-V98 CarbonylContact C-O 3.52Å; F6-V98 WeakPolarHBondContact CA-O 3.4Å; F6-V98 VanDerWaalsContact CB-O 3.3Å; F6-V98 WeakPolarHBondContact CB-O 3.18Å | ||
| 7 | K | 98.7 | Very high | 94.4 | Very high | 79 Ų | 79 | 76.8 Ų | 76.8 | 34% | 0.343 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -143.9 | 113.2 | 166.4 | -170.2 | -179 | 173.4 | -161.1 | 0 | 108.9 | V98 Y99 A100 W101 E108 W111 | K7-V98 PolarHBondContact N-O 2.83Å; K7-Y99 HydrophobicContact CB-CD1 4.05Å; K7-Y99 WeakPolarHBondContact O-CA 3.24Å; K7-A100 PolarHBondContact O-N 3.03Å; K7-W101 HydrophobicContact CB-CZ3 4.05Å; K7-W101 HydrophobicContact CD-CE3 4.46Å; K7-W101 HydrophobicContact CD-CH2 3.6Å; K7-W101 HydrophobicContact CD-CZ3 3.52Å; K7-W101 VanDerWaalsContact CE-CH2 3.48Å; K7-W101 HydrophobicContact CG-CE3 4.18Å; K7-W101 HydrophobicContact CG-CH2 4.21Å; K7-W101 HydrophobicContact CG-CZ3 3.61Å; K7-W101 VanDerWaalsContact NZ-CH2 3.29Å; K7-E108 IonicContact NZ-OE1 2.97Å; K7-W111 HydrophobicContact CB-CH2 4.07Å; K7-W111 HydrophobicContact CB-CZ3 4.08Å; K7-W111 HydrophobicContact CD-CE3 4.5Å; K7-W111 HydrophobicContact CD-CH2 3.67Å; K7-W111 HydrophobicContact CD-CZ3 3.54Å; K7-W111 HydrophobicContact CG-CH2 4.5Å; K7-W111 HydrophobicContact CG-CZ3 4.41Å |
| 8 | V | 98.7 | Very high | 94.7 | Very high | 21 Ų | 21 | 76.1 Ų | 76.1 | 13% | 0.127 | 41% | 0.406 | C | S | . | . | trans | -134 | 162.3 | -179.9 | -59.4 | 0 | 0 | 0 | 0 | 109.1 | F6 I11 A88 A92 V98 | F6-V8 HydrophobicContact CD2-CG1 4.49Å; F6-V8 HydrophobicContact CD2-CG2 4.11Å; F6-V8 HydrophobicContact CE2-CG2 4.21Å; V8-I11 HydrophobicContact CG2-CB 4.42Å; V8-I11 HydrophobicContact CG2-CD1 4.24Å; V8-A88 HydrophobicContact CB-CB 4.34Å; V8-A88 HydrophobicContact CG1-CB 3.87Å; V8-A92 HydrophobicContact CG1-CB 4.08Å; V8-V98 HydrophobicContact CG1-CB 4.38Å; V8-V98 HydrophobicContact CG1-CG1 4.18Å | ||
| 9 | A | 98.4 | Very high | 94.9 | Very high | 59 Ų | 59 | 80.1 Ų | 80.1 | 49% | 0.488 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -59 | -53.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | D85 W101 | A9-D85 HydrophobicContact CB-CB 3.96Å; A9-W101 HydrophobicContact CB-CB 3.83Å |
| 10 | D | 98.6 | Very high | 95.1 | Very high | 69 Ų | 69 | 79.3 Ų | 79.3 | 37% | 0.369 | 41% | 0.413 | S | S | . | . | trans | -151 | 110.3 | -179.9 | 179.5 | 8.6 | 0 | 0 | 0 | 111 | S12 L13 A89 | D10-S12 PolarHBondContact O-N 2.94Å; D10-S12 WeakPolarHBondContact OD1-CB 3.41Å; D10-S12 PolarHBondContact OD1-N 3.26Å; D10-S12 PolarHBondContact OD1-OG 3.28Å; D10-S12 VanDerWaalsContact OD1-OG 3.04Å; D10-S12 PolarHBondContact OD2-OG 3.14Å; D10-L13 HydrophobicContact CB-CD1 4.07Å; D10-L13 HydrophobicContact CB-CG 4.03Å; D10-L13 WeakPolarHBondContact O-CB 3.45Å; D10-L13 WeakPolarHBondContact O-CG 3.37Å; D10-L13 PolarHBondContact O-N 2.97Å; D10-A89 VanDerWaalsContact O-CB 3.3Å; D10-A89 WeakPolarHBondContact O-CB 3.49Å | ||
| 11 | I | 98.6 | Very high | 95.2 | Very high | 72 Ų | 72 | 75.5 Ų | 75.5 | 37% | 0.369 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -65.1 | -18.4 | 179 | -163.4 | 60.7 | 0 | 0 | 0 | 112.9 | F6 V8 L13 A14 A89 A92 K93 | F6-I11 HydrophobicContact CE2-CB 4.47Å; F6-I11 HydrophobicContact CE2-CD1 3.94Å; F6-I11 HydrophobicContact CE2-CG1 4.25Å; F6-I11 HydrophobicContact CZ-CD1 4.02Å; F6-I11 HydrophobicContact CZ-CG1 4.14Å; V8-I11 HydrophobicContact CG2-CB 4.42Å; V8-I11 HydrophobicContact CG2-CD1 4.24Å; I11-L13 PolarHBondContact O-N 3.39Å; I11-A14 WeakPolarHBondContact O-CB 3.34Å; I11-A14 PolarHBondContact O-N 3.44Å; I11-A89 HydrophobicContact CD1-CB 4.43Å; I11-A89 WeakPolarHBondContact CD1-O 3.32Å; I11-A92 HydrophobicContact CD1-CB 3.74Å; I11-K93 HydrophobicContact CD1-CB 4.43Å |
| 12 | S | 98.6 | Very high | 97.4 | Very high | 84 Ų | 84 | 70.2 Ų | 70.2 | 59% | 0.587 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -65.8 | -20.8 | 178.3 | 90.9 | 0 | 0 | 0 | 0 | 112.8 | D10 A14 | D10-S12 PolarHBondContact O-N 2.94Å; D10-S12 WeakPolarHBondContact OD1-CB 3.41Å; D10-S12 PolarHBondContact OD1-N 3.26Å; D10-S12 PolarHBondContact OD1-OG 3.28Å; D10-S12 VanDerWaalsContact OD1-OG 3.04Å; D10-S12 PolarHBondContact OD2-OG 3.14Å; S12-A14 PolarHBondContact O-N 2.9Å |
| 13 | L | 98.7 | Very high | 98.1 | Very high | 46 Ų | 46 | 70.2 Ų | 70.2 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -74 | -6.9 | 179.4 | -57 | 177.5 | 0 | 0 | 0 | 114 | D10 I11 D15 W16 G17 D85 H86 A89 | D10-L13 HydrophobicContact CB-CD1 4.07Å; D10-L13 HydrophobicContact CB-CG 4.03Å; D10-L13 WeakPolarHBondContact O-CB 3.45Å; D10-L13 WeakPolarHBondContact O-CG 3.37Å; D10-L13 PolarHBondContact O-N 2.97Å; I11-L13 PolarHBondContact O-N 3.39Å; L13-D15 VanDerWaalsContact C-N 3.28Å; L13-D15 PolarHBondContact O-N 3.18Å; L13-W16 HydrophobicContact CD2-CE3 4.22Å; L13-W16 WeakPolarHBondContact O-CB 3.47Å; L13-W16 PolarHBondContact O-N 3.03Å; L13-G17 PolarHBondContact O-N 3.28Å; L13-D85 HydrophobicContact CD1-CB 3.94Å; L13-H86 HydrophobicContact CB-CB 3.96Å; L13-A89 HydrophobicContact CB-CB 4.03Å |
| 14 | A | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 2% | 0.017 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.8 | -33.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I11 S12 G17 R18 A89 K93 | I11-A14 WeakPolarHBondContact O-CB 3.34Å; I11-A14 PolarHBondContact O-N 3.44Å; S12-A14 PolarHBondContact O-N 2.9Å; A14-G17 PolarHBondContact O-N 2.98Å; A14-R18 WeakPolarHBondContact O-CB 3.45Å; A14-R18 PolarHBondContact O-N 3.38Å; A14-A89 HydrophobicContact CB-CB 4.13Å; A14-A89 WeakPolarHBondContact CB-O 3.49Å; A14-K93 HydrophobicContact CB-CB 3.82Å; A14-K93 HydrophobicContact CB-CD 3.35Å; A14-K93 HydrophobicContact CB-CG 4.23Å |
| 15 | D | 98.7 | Very high | 98.5 | Very high | 98 Ų | 98 | 66.7 Ų | 66.7 | 52% | 0.524 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -73.6 | -29.9 | 179.5 | -71.2 | -6 | 0 | 0 | 0 | 112.1 | L13 K19 K93 | L13-D15 VanDerWaalsContact C-N 3.28Å; L13-D15 PolarHBondContact O-N 3.18Å; D15-K19 WeakPolarHBondContact O-CG 3.4Å; D15-K19 PolarHBondContact O-N 3.46Å; D15-K93 IonicContact OD1-NZ 2.68Å; D15-K93 PolarHBondContact OD1-NZ 2.93Å; D15-K93 IonicContact OD2-NZ 2.89Å |
| 16 | W | 98.7 | Very high | 98.6 | Very high | 127 Ų | 127 | 67.4 Ų | 67.4 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.5 | -49.7 | 169.8 | 170.6 | 23.6 | 0 | 0 | 0 | 110.2 | L13 R18 K19 E20 H86 | L13-W16 HydrophobicContact CD2-CE3 4.22Å; L13-W16 WeakPolarHBondContact O-CB 3.47Å; L13-W16 PolarHBondContact O-N 3.03Å; W16-R18 VanDerWaalsContact C-N 3.27Å; W16-R18 PolarHBondContact O-N 3.36Å; W16-K19 WeakPolarHBondContact O-CB 3.39Å; W16-K19 PolarHBondContact O-N 3.19Å; W16-E20 PolarHBondContact NE1-OE1 3.3Å; W16-E20 PolarHBondContact O-N 3.48Å; W16-E20 VanDerWaalsContact O-N 3.16Å; W16-H86 HydrophobicContact CD2-CB 3.82Å; W16-H86 AromaticContact CD2-CD2 3.94Å; W16-H86 AromaticContact CD2-CG 3.95Å; W16-H86 AromaticContact CE2-CD2 3.69Å; W16-H86 AromaticContact CE2-CG 4Å; W16-H86 HydrophobicContact CE3-CB 3.58Å; W16-H86 AromaticContact CE3-CG 3.98Å; W16-H86 HydrophobicContact CG-CB 4.3Å; W16-H86 AromaticContact CZ2-CD2 3.98Å; W16-H86 HydrophobicContact CZ3-CB 3.96Å; W16-H86 AromaticContact NE1-CD2 3.87Å |
| 17 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -54.7 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L13 A14 K19 E20 I21 H86 | L13-G17 PolarHBondContact O-N 3.28Å; A14-G17 PolarHBondContact O-N 2.98Å; G17-K19 VanDerWaalsContact C-N 3.28Å; G17-K19 PolarHBondContact O-N 3.29Å; G17-E20 PolarHBondContact O-N 2.81Å; G17-E20 VanDerWaalsContact O-N 3.17Å; G17-I21 VanDerWaalsContact O-CG1 3.27Å; G17-I21 WeakPolarHBondContact O-CG1 3.43Å; G17-I21 PolarHBondContact O-N 3.2Å; G17-H86 VanDerWaalsContact CA-O 3.31Å; G17-H86 WeakPolarHBondContact CA-O 3.5Å |
| 18 | R | 98.8 | Very high | 98.6 | Very high | 64 Ų | 64 | 64.5 Ų | 64.5 | 24% | 0.242 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.5 | -34.7 | 175.7 | -178.2 | 53.4 | 58.9 | -175.5 | 1 | 113.1 | A14 W16 K22 E64 | A14-R18 WeakPolarHBondContact O-CB 3.45Å; A14-R18 PolarHBondContact O-N 3.38Å; W16-R18 VanDerWaalsContact C-N 3.27Å; W16-R18 PolarHBondContact O-N 3.36Å; R18-K22 WeakPolarHBondContact O-CG 3.32Å; R18-K22 PolarHBondContact O-N 2.91Å; R18-K22 VanDerWaalsContact O-N 3.16Å; R18-E64 IonicContact CZ-OE1 2.75Å; R18-E64 IonicContact CZ-OE2 3.91Å; R18-E64 IonicContact NH1-OE1 3.42Å; R18-E64 PolarHBondContact NH1-OE1 3.35Å; R18-E64 IonicContact NH1-OE2 3.8Å; R18-E64 PolarHBondContact NH1-OE2 3.36Å; R18-E64 IonicContact NH2-OE1 3.5Å; R18-E64 PolarHBondContact NH2-OE1 2.98Å |
| 19 | K | 98.8 | Very high | 98.6 | Very high | 153 Ų | 153 | 64.4 Ų | 64.4 | 67% | 0.665 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -69 | -42.1 | 176.4 | -69.8 | 169.4 | -175.6 | 174.2 | 0 | 111.1 | D15 W16 G17 K22 L23 | D15-K19 WeakPolarHBondContact O-CG 3.4Å; D15-K19 PolarHBondContact O-N 3.46Å; W16-K19 WeakPolarHBondContact O-CB 3.39Å; W16-K19 PolarHBondContact O-N 3.19Å; G17-K19 VanDerWaalsContact C-N 3.28Å; G17-K19 PolarHBondContact O-N 3.29Å; K19-K22 PolarHBondContact O-N 3.02Å; K19-L23 PolarHBondContact O-N 3.47Å; K19-L23 VanDerWaalsContact O-N 3.14Å |
| 20 | E | 98.5 | Very high | 98.6 | Very high | 64 Ų | 64 | 61.6 Ų | 61.6 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.3 | -37.7 | 177.4 | -67.2 | -158.8 | -178.8 | 0 | 0 | 112.7 | W16 G17 K22 L23 A24 V57 H86 | W16-E20 PolarHBondContact NE1-OE1 3.3Å; W16-E20 PolarHBondContact O-N 3.48Å; W16-E20 VanDerWaalsContact O-N 3.16Å; G17-E20 PolarHBondContact O-N 2.81Å; G17-E20 VanDerWaalsContact O-N 3.17Å; E20-K22 VanDerWaalsContact C-N 3.35Å; E20-K22 PolarHBondContact O-N 3.38Å; E20-L23 WeakPolarHBondContact O-CB 3.49Å; E20-L23 PolarHBondContact O-N 2.9Å; E20-L23 VanDerWaalsContact O-N 3.13Å; E20-A24 WeakPolarHBondContact O-CB 3.24Å; E20-A24 PolarHBondContact O-N 2.87Å; E20-V57 HydrophobicContact CB-CG1 4.06Å; E20-V57 HydrophobicContact CB-CG2 3.78Å; E20-H86 VanDerWaalsContact CD-NE2 3.31Å; E20-H86 IonicContact OE1-NE2 2.75Å; E20-H86 IonicContact OE2-CD2 2.95Å; E20-H86 IonicContact OE2-CE1 3.59Å; E20-H86 IonicContact OE2-NE2 3.25Å; E20-H86 PolarHBondContact OE2-NE2 3.31Å |
| 21 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58 | -48.1 | 173.1 | -69.6 | 165 | 0 | 0 | 0 | 110.3 | G17 L23 A24 E25 V57 A60 V61 A90 | G17-I21 VanDerWaalsContact O-CG1 3.27Å; G17-I21 WeakPolarHBondContact O-CG1 3.43Å; G17-I21 PolarHBondContact O-N 3.2Å; I21-L23 VanDerWaalsContact C-N 3.25Å; I21-L23 PolarHBondContact O-N 2.98Å; I21-A24 CarbonylContact O-C 3.59Å; I21-A24 PolarHBondContact O-N 3.05Å; I21-A24 VanDerWaalsContact O-N 3.11Å; I21-E25 HydrophobicContact CG2-CG 4.44Å; I21-E25 WeakPolarHBondContact O-CG 3.41Å; I21-E25 PolarHBondContact O-N 3.4Å; I21-V57 HydrophobicContact CG1-CG1 4.27Å; I21-A60 HydrophobicContact CD1-CB 3.61Å; I21-A60 HydrophobicContact CG1-CB 3.79Å; I21-V61 HydrophobicContact CG2-CG2 4.13Å; I21-A90 HydrophobicContact CD1-CB 3.63Å |
| 22 | K | 98.6 | Very high | 98.6 | Very high | 124 Ų | 124 | 56.9 Ų | 56.9 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.9 | -33.7 | 176.6 | -74.8 | 177.1 | 178.4 | -175.7 | 0 | 113.3 | R18 K19 E20 N26 | R18-K22 WeakPolarHBondContact O-CG 3.32Å; R18-K22 PolarHBondContact O-N 2.91Å; R18-K22 VanDerWaalsContact O-N 3.16Å; K19-K22 PolarHBondContact O-N 3.02Å; E20-K22 VanDerWaalsContact C-N 3.35Å; E20-K22 PolarHBondContact O-N 3.38Å; K22-N26 PolarHBondContact O-ND2 2.6Å |
| 23 | L | 98.1 | Very high | 98.6 | Very high | 122 Ų | 122 | 56.2 Ų | 56.2 | 64% | 0.639 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70.3 | -43.9 | 174.5 | -175.8 | 65.9 | 0 | 0 | 0 | 110.7 | K19 E20 I21 N26 | K19-L23 PolarHBondContact O-N 3.47Å; K19-L23 VanDerWaalsContact O-N 3.14Å; E20-L23 WeakPolarHBondContact O-CB 3.49Å; E20-L23 PolarHBondContact O-N 2.9Å; E20-L23 VanDerWaalsContact O-N 3.13Å; I21-L23 VanDerWaalsContact C-N 3.25Å; I21-L23 PolarHBondContact O-N 2.98Å; L23-N26 WeakPolarHBondContact O-CB 3.25Å; L23-N26 PolarHBondContact O-N 3.05Å |
| 24 | A | 98.5 | Very high | 98.5 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E20 I21 N26 E27 M28 V57 V61 | E20-A24 WeakPolarHBondContact O-CB 3.24Å; E20-A24 PolarHBondContact O-N 2.87Å; I21-A24 CarbonylContact O-C 3.59Å; I21-A24 PolarHBondContact O-N 3.05Å; I21-A24 VanDerWaalsContact O-N 3.11Å; A24-N26 PolarHBondContact O-N 3.29Å; A24-E27 CarbonylContact O-C 3.51Å; A24-E27 WeakPolarHBondContact O-CA 3.19Å; A24-E27 PolarHBondContact O-N 2.93Å; A24-M28 HydrophobicContact CB-SD 4.37Å; A24-M28 WeakPolarHBondContact O-CG 2.87Å; A24-M28 PolarHBondContact O-N 2.94Å; A24-V57 HydrophobicContact CB-CG1 3.55Å; A24-V61 HydrophobicContact CB-CG2 4.09Å |
| 25 | E | 98.6 | Very high | 98.5 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -53.9 | -38.3 | 174 | -76.2 | 179.7 | 150.6 | 0 | 0 | 111.9 | I21 E27 M28 I32 R35 V61 | I21-E25 HydrophobicContact CG2-CG 4.44Å; I21-E25 WeakPolarHBondContact O-CG 3.41Å; I21-E25 PolarHBondContact O-N 3.4Å; E25-E27 PolarHBondContact O-N 2.83Å; E25-M28 PolarHBondContact O-N 3.39Å; E25-I32 HydrophobicContact CB-CD1 3.81Å; E25-I32 HydrophobicContact CG-CD1 3.93Å; E25-I32 WeakPolarHBondContact O-CG1 3.44Å; E25-R35 IonicContact OE1-CZ 3.87Å; E25-R35 IonicContact OE1-NH1 2.64Å; E25-R35 PolarHBondContact OE1-NH1 3.44Å; E25-R35 IonicContact OE1-NH2 2.81Å; E25-V61 HydrophobicContact CG-CG1 4.07Å; E25-V61 HydrophobicContact CG-CG2 4.07Å |
| 26 | N | 97.9 | Very high | 98.5 | Very high | 112 Ų | 112 | 57.1 Ų | 57.1 | 60% | 0.599 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -22 | 175.9 | -66.4 | -36.9 | 0 | 0 | 0 | 113.3 | K22 L23 A24 Q401 | K22-N26 PolarHBondContact O-ND2 2.6Å; L23-N26 WeakPolarHBondContact O-CB 3.25Å; L23-N26 PolarHBondContact O-N 3.05Å; A24-N26 PolarHBondContact O-N 3.29Å; N26-Q401 PolarHBondContact O-NE2 3.12Å; N26-Q401 PolarHBondContact O-OE1 3.41Å |
| 27 | E | 98.4 | Very high | 98.3 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 43% | 0.425 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 7.6 | 176.9 | -76.1 | -67 | 119.3 | 0 | 0 | 112.2 | A24 E25 P29 S355 F356 Q401 | A24-E27 CarbonylContact O-C 3.51Å; A24-E27 WeakPolarHBondContact O-CA 3.19Å; A24-E27 PolarHBondContact O-N 2.93Å; E25-E27 PolarHBondContact O-N 2.83Å; E27-P29 WeakPolarHBondContact O-CD 3.27Å; E27-S355 CarbonylContact O-C 3.39Å; E27-F356 WeakPolarHBondContact O-CA 3.06Å; E27-F356 PolarHBondContact O-N 3.13Å; E27-Q401 PolarHBondContact OE1-NE2 3.45Å |
| 28 | M | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -122.9 | 59.2 | -178.8 | -63.3 | -177.7 | 88.6 | 0 | 0 | 112.6 | A24 E25 G30 L31 I32 Q58 V61 S355 M358 S359 F362 | A24-M28 HydrophobicContact CB-SD 4.37Å; A24-M28 WeakPolarHBondContact O-CG 2.87Å; A24-M28 PolarHBondContact O-N 2.94Å; E25-M28 PolarHBondContact O-N 3.39Å; M28-G30 PolarHBondContact O-N 3.43Å; M28-L31 HydrophobicContact CB-CB 4.47Å; M28-L31 HydrophobicContact CE-CD1 3.47Å; M28-L31 VanDerWaalsContact CE-CD1 3.47Å; M28-L31 HydrophobicContact CE-CG 4.41Å; M28-L31 PolarHBondContact O-N 3.33Å; M28-L31 VanDerWaalsContact O-N 3.17Å; M28-L31 HydrophobicContact SD-CD1 4.29Å; M28-I32 WeakPolarHBondContact O-CG1 3.27Å; M28-I32 PolarHBondContact O-N 3Å; M28-I32 VanDerWaalsContact O-N 3.14Å; M28-Q58 HydrophobicContact CE-CB 3.97Å; M28-Q58 HydrophobicContact CE-CG 4.46Å; M28-Q58 HydrophobicContact SD-CB 4.27Å; M28-Q58 HydrophobicContact SD-CG 4.43Å; M28-V61 HydrophobicContact CB-CG1 4.36Å; M28-V61 HydrophobicContact CE-CB 4.37Å; M28-V61 HydrophobicContact SD-CB 3.62Å; M28-V61 HydrophobicContact SD-CG1 3.9Å; M28-V61 HydrophobicContact SD-CG2 3.67Å; M28-S355 WeakPolarHBondContact CG-O 3.41Å; M28-M358 HydrophobicContact CE-CB 4.22Å; M28-S359 VanDerWaalsContact CA-OG 3.28Å; M28-S359 WeakPolarHBondContact CA-OG 3.48Å; M28-F362 HydrophobicContact CE-CD2 3.81Å; M28-F362 HydrophobicContact CE-CE2 4.45Å | ||
| 29 | P | 98.6 | Very high | 98.2 | Very high | 19 Ų | 19 | 55.3 Ų | 55.3 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -32.6 | -170.3 | 25.1 | -33.2 | 0 | 0 | 0 | 112.9 | E27 I32 M33 F356 H398 Q401 | E27-P29 WeakPolarHBondContact O-CD 3.27Å; P29-I32 PolarHBondContact O-N 3.34Å; P29-M33 VanDerWaalsContact O-CB 3.24Å; P29-M33 WeakPolarHBondContact O-CB 3.48Å; P29-M33 PolarHBondContact O-N 3.47Å; P29-F356 HydrophobicContact CG-CD2 4.39Å; P29-F356 HydrophobicContact CG-CE2 3.89Å; P29-H398 HydrophobicContact CG-CB 4.35Å; P29-Q401 HydrophobicContact CB-CB 4.25Å; P29-Q401 HydrophobicContact CG-CB 4.18Å |
| 30 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M28 M33 M34 S359 T363 | M28-G30 PolarHBondContact O-N 3.43Å; G30-M33 WeakPolarHBondContact O-CB 3.49Å; G30-M33 PolarHBondContact O-N 3.1Å; G30-M34 WeakPolarHBondContact O-CG 3.42Å; G30-M34 PolarHBondContact O-N 3.29Å; G30-S359 PolarHBondContact N-OG 3.32Å; G30-T363 VanDerWaalsContact CA-OG1 3.28Å; G30-T363 WeakPolarHBondContact CA-OG1 3.29Å |
| 31 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 177.6 | -68.6 | -174.5 | 0 | 0 | 0 | 112.1 | M28 M33 M34 R35 V61 L62 T65 F362 T363 V366 | M28-L31 HydrophobicContact CB-CB 4.47Å; M28-L31 HydrophobicContact CE-CD1 3.47Å; M28-L31 VanDerWaalsContact CE-CD1 3.47Å; M28-L31 HydrophobicContact CE-CG 4.41Å; M28-L31 PolarHBondContact O-N 3.33Å; M28-L31 VanDerWaalsContact O-N 3.17Å; M28-L31 HydrophobicContact SD-CD1 4.29Å; L31-M33 VanDerWaalsContact C-N 3.29Å; L31-M33 PolarHBondContact O-N 3.03Å; L31-M34 WeakPolarHBondContact O-CB 3.42Å; L31-M34 PolarHBondContact O-N 3.17Å; L31-M34 VanDerWaalsContact O-N 3.14Å; L31-R35 WeakPolarHBondContact O-CG 3.48Å; L31-R35 PolarHBondContact O-N 2.9Å; L31-V61 HydrophobicContact CB-CG1 4.22Å; L31-V61 HydrophobicContact CD1-CB 4.08Å; L31-V61 HydrophobicContact CD1-CG1 3.69Å; L31-L62 HydrophobicContact CD1-CB 4.25Å; L31-T65 HydrophobicContact CD2-CG2 4.36Å; L31-F362 HydrophobicContact CD1-CB 3.99Å; L31-F362 HydrophobicContact CD1-CD2 4.46Å; L31-F362 HydrophobicContact CD2-CB 3.94Å; L31-F362 HydrophobicContact CG-CB 4.28Å; L31-T363 PolarHBondContact N-OG1 3.5Å; L31-V366 HydrophobicContact CD2-CG2 3.84Å |
| 32 | I | 98.6 | Very high | 98.1 | Very high | 42 Ų | 42 | 65.8 Ų | 65.8 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 176.7 | -57.7 | -62.4 | 0 | 0 | 0 | 110.8 | E25 M28 P29 R35 Q36 | E25-I32 HydrophobicContact CB-CD1 3.81Å; E25-I32 HydrophobicContact CG-CD1 3.93Å; E25-I32 WeakPolarHBondContact O-CG1 3.44Å; M28-I32 WeakPolarHBondContact O-CG1 3.27Å; M28-I32 PolarHBondContact O-N 3Å; M28-I32 VanDerWaalsContact O-N 3.14Å; P29-I32 PolarHBondContact O-N 3.34Å; I32-R35 WeakPolarHBondContact O-CB 3.44Å; I32-R35 PolarHBondContact O-N 3.17Å; I32-Q36 WeakPolarHBondContact O-CG 3.35Å; I32-Q36 PolarHBondContact O-N 2.94Å |
| 33 | M | 97.7 | Very high | 98.1 | Very high | 70 Ų | 70 | 61.1 Ų | 61.1 | 35% | 0.345 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 173.5 | -173.8 | 61.2 | 151.1 | 0 | 0 | 111.7 | P29 G30 L31 R35 Q36 M37 A397 | P29-M33 VanDerWaalsContact O-CB 3.24Å; P29-M33 WeakPolarHBondContact O-CB 3.48Å; P29-M33 PolarHBondContact O-N 3.47Å; G30-M33 WeakPolarHBondContact O-CB 3.49Å; G30-M33 PolarHBondContact O-N 3.1Å; L31-M33 VanDerWaalsContact C-N 3.29Å; L31-M33 PolarHBondContact O-N 3.03Å; M33-R35 VanDerWaalsContact C-N 3.34Å; M33-R35 PolarHBondContact O-N 3.24Å; M33-Q36 PolarHBondContact O-N 3.26Å; M33-M37 HydrophobicContact CE-CG 4.46Å; M33-M37 HydrophobicContact CE-SD 4.12Å; M33-M37 HydrophobicContact CG-CE 4.43Å; M33-M37 HydrophobicContact CG-CG 4.28Å; M33-M37 HydrophobicContact CG-SD 4.11Å; M33-M37 WeakPolarHBondContact O-CB 3.37Å; M33-M37 WeakPolarHBondContact O-CG 3.43Å; M33-M37 PolarHBondContact O-N 2.83Å; M33-M37 HydrophobicContact SD-CG 4.1Å; M33-M37 HydrophobicContact SD-SD 4.34Å; M33-A397 HydrophobicContact CB-CB 4.24Å; M33-A397 HydrophobicContact CG-CB 4.19Å |
| 34 | M | 98.2 | Very high | 98.1 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 174.8 | -64.7 | -51.9 | 103.6 | 0 | 0 | 111.8 | G30 L31 M37 Y38 T65 T363 V366 L367 | G30-M34 WeakPolarHBondContact O-CG 3.42Å; G30-M34 PolarHBondContact O-N 3.29Å; L31-M34 WeakPolarHBondContact O-CB 3.42Å; L31-M34 PolarHBondContact O-N 3.17Å; L31-M34 VanDerWaalsContact O-N 3.14Å; M34-M37 HydrophobicContact CE-CE 3.39Å; M34-M37 PolarHBondContact O-N 3.42Å; M34-M37 HydrophobicContact SD-CE 3.91Å; M34-Y38 WeakPolarHBondContact O-CB 3.42Å; M34-Y38 PolarHBondContact O-N 3.45Å; M34-Y38 HydrophobicContact SD-CD2 4.13Å; M34-Y38 HydrophobicContact SD-CE2 3.82Å; M34-T65 HydrophobicContact CB-CG2 4.15Å; M34-T363 HydrophobicContact CE-CG2 3.81Å; M34-T363 HydrophobicContact CG-CG2 3.87Å; M34-T363 HydrophobicContact SD-CG2 4.03Å; M34-V366 HydrophobicContact CB-CG1 4.1Å; M34-V366 HydrophobicContact CG-CB 4.43Å; M34-V366 HydrophobicContact CG-CG1 3.95Å; M34-L367 HydrophobicContact SD-CD2 3.69Å; M34-L367 HydrophobicContact SD-CG 4.04Å |
| 35 | R | 98.4 | Very high | 98.2 | Very high | 25 Ų | 25 | 59.3 Ų | 59.3 | 9% | 0.094 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 174.4 | -66.3 | 172.5 | -179.5 | -163.1 | 10.6 | 111.3 | E25 L31 I32 M33 G39 V61 T65 E68 | E25-R35 IonicContact OE1-CZ 3.87Å; E25-R35 IonicContact OE1-NH1 2.64Å; E25-R35 PolarHBondContact OE1-NH1 3.44Å; E25-R35 IonicContact OE1-NH2 2.81Å; L31-R35 WeakPolarHBondContact O-CG 3.48Å; L31-R35 PolarHBondContact O-N 2.9Å; I32-R35 WeakPolarHBondContact O-CB 3.44Å; I32-R35 PolarHBondContact O-N 3.17Å; M33-R35 VanDerWaalsContact C-N 3.34Å; M33-R35 PolarHBondContact O-N 3.24Å; R35-G39 VanDerWaalsContact O-CA 3.23Å; R35-G39 WeakPolarHBondContact O-CA 3.42Å; R35-G39 PolarHBondContact O-N 2.99Å; R35-V61 PolarHBondContact NH2-O 3.23Å; R35-T65 HydrophobicContact CG-CG2 3.85Å; R35-T65 PolarHBondContact NE-OG1 2.89Å; R35-T65 PolarHBondContact NH2-OG1 2.74Å; R35-E68 WeakPolarHBondContact CD-OE2 3.41Å; R35-E68 HydrophobicContact CG-CB 4.43Å; R35-E68 HydrophobicContact CG-CG 4.4Å; R35-E68 VanDerWaalsContact CG-OE2 3.31Å; R35-E68 WeakPolarHBondContact CG-OE2 3.41Å; R35-E68 IonicContact NE-OE2 2.93Å; R35-E68 IonicContact NH1-OE2 2.71Å |
| 36 | Q | 97.5 | Very high | 98.1 | Very high | 136 Ų | 136 | 59.2 Ų | 59.2 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 179.5 | -71 | 173.9 | 6.1 | 0 | 0 | 113 | I32 M33 | I32-Q36 WeakPolarHBondContact O-CG 3.35Å; I32-Q36 PolarHBondContact O-N 2.94Å; M33-Q36 PolarHBondContact O-N 3.26Å |
| 37 | M | 96 | Very high | 98.2 | Very high | 79 Ų | 79 | 53.9 Ų | 53.9 | 39% | 0.389 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -74.2 | -45.4 | -178.3 | -66.7 | -169.8 | -40.4 | 0 | 0 | 112.2 | M33 M34 | M33-M37 HydrophobicContact CE-CG 4.46Å; M33-M37 HydrophobicContact CE-SD 4.12Å; M33-M37 HydrophobicContact CG-CE 4.43Å; M33-M37 HydrophobicContact CG-CG 4.28Å; M33-M37 HydrophobicContact CG-SD 4.11Å; M33-M37 WeakPolarHBondContact O-CB 3.37Å; M33-M37 WeakPolarHBondContact O-CG 3.43Å; M33-M37 PolarHBondContact O-N 2.83Å; M33-M37 HydrophobicContact SD-CG 4.1Å; M33-M37 HydrophobicContact SD-SD 4.34Å; M34-M37 HydrophobicContact CE-CE 3.39Å; M34-M37 PolarHBondContact O-N 3.42Å; M34-M37 HydrophobicContact SD-CE 3.91Å |
| 38 | Y | 97.5 | Very high | 98.2 | Very high | 60 Ų | 60 | 51.6 Ų | 51.6 | 24% | 0.235 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -111.1 | -11 | -167.2 | -60.4 | -60.9 | 0 | 0 | 0 | 114.8 | M34 K40 E41 K42 P43 L367 I370 | M34-Y38 WeakPolarHBondContact O-CB 3.42Å; M34-Y38 PolarHBondContact O-N 3.45Å; M34-Y38 HydrophobicContact SD-CD2 4.13Å; M34-Y38 HydrophobicContact SD-CE2 3.82Å; Y38-K40 PolarHBondContact O-N 2.9Å; Y38-E41 PolarHBondContact O-N 3.24Å; Y38-E41 VanDerWaalsContact O-N 3.08Å; Y38-K42 PolarHBondContact O-N 3.14Å; Y38-P43 HydrophobicContact CG-CG 4.35Å; Y38-P43 WeakPolarHBondContact O-CD 3.44Å; Y38-L367 HydrophobicContact CE2-CD2 4.28Å; Y38-I370 HydrophobicContact CD2-CD1 3.95Å; Y38-I370 HydrophobicContact CE2-CD1 4.14Å; Y38-I370 HydrophobicContact CG-CD1 4.4Å |
| 39 | G | 97.4 | Very high | 98.2 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | R35 K42 | R35-G39 VanDerWaalsContact O-CA 3.23Å; R35-G39 WeakPolarHBondContact O-CA 3.42Å; R35-G39 PolarHBondContact O-N 2.99Å; G39-K42 VanDerWaalsContact O-CG 3.3Å; G39-K42 WeakPolarHBondContact O-CG 3.32Å |
| 40 | K | 97.8 | Very high | 98.2 | Very high | 200 Ų | 200 | 50.7 Ų | 50.7 | 87% | 0.87 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -40.3 | 173.7 | -69.6 | -178.1 | -178.9 | 173.9 | 0 | 112.8 | Y38 K42 | Y38-K40 PolarHBondContact O-N 2.9Å; K40-K42 VanDerWaalsContact C-N 3.34Å |
| 41 | E | 97.7 | Very high | 98.2 | Very high | 144 Ų | 144 | 50.7 Ų | 50.7 | 67% | 0.673 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -24.7 | -177.1 | -64.2 | -178.2 | 176.5 | 0 | 0 | 112.2 | Y38 | Y38-E41 PolarHBondContact O-N 3.24Å; Y38-E41 VanDerWaalsContact O-N 3.08Å |
| 42 | K | 98.6 | Very high | 98.3 | Very high | 93 Ų | 93 | 50.7 Ų | 50.7 | 40% | 0.404 | 25% | 0.253 | S | S | . | . | trans | 47.2 | 58.5 | -178.4 | -63.2 | -174.9 | 169.2 | -73.5 | 0 | 112.6 | Y38 G39 K40 L44 T45 E68 L69 | Y38-K42 PolarHBondContact O-N 3.14Å; G39-K42 VanDerWaalsContact O-CG 3.3Å; G39-K42 WeakPolarHBondContact O-CG 3.32Å; K40-K42 VanDerWaalsContact C-N 3.34Å; K42-L44 PolarHBondContact O-N 2.82Å; K42-L44 VanDerWaalsContact O-N 3.08Å; K42-T45 WeakPolarHBondContact CB-OG1 3.46Å; K42-T45 WeakPolarHBondContact O-CB 3.5Å; K42-T45 PolarHBondContact O-N 3.44Å; K42-T45 PolarHBondContact O-OG1 3.3Å; K42-E68 PolarHBondContact NZ-O 3.02Å; K42-L69 CarbonylContact C-O 3.55Å; K42-L69 WeakPolarHBondContact CA-O 3.37Å | ||
| 43 | P | 98.7 | Very high | 98.2 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.9 | -172.9 | 27.6 | -36.7 | 0 | 0 | 0 | 113.3 | Y38 T45 L69 I370 T374 | Y38-P43 HydrophobicContact CG-CG 4.35Å; Y38-P43 WeakPolarHBondContact O-CD 3.44Å; P43-T45 VanDerWaalsContact C-N 3.33Å; P43-L69 HydrophobicContact CG-CD2 4.34Å; P43-L69 HydrophobicContact CG-CG 4.38Å; P43-I370 HydrophobicContact CB-CG2 4.37Å; P43-I370 HydrophobicContact CG-CD1 4.2Å; P43-I370 HydrophobicContact CG-CG1 4.14Å; P43-T374 HydrophobicContact CB-CG2 4.19Å |
| 44 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 11.1 | 179.7 | -59.2 | 177.9 | 0 | 0 | 0 | 113.3 | K42 G46 A47 I49 L66 L69 G70 A71 Q369 I370 W373 | K42-L44 PolarHBondContact O-N 2.82Å; K42-L44 VanDerWaalsContact O-N 3.08Å; L44-G46 PolarHBondContact O-N 3.08Å; L44-A47 HydrophobicContact CB-CB 4.21Å; L44-A47 WeakPolarHBondContact O-CB 3.33Å; L44-A47 PolarHBondContact O-N 3.17Å; L44-I49 HydrophobicContact CD1-CD1 4.3Å; L44-L66 HydrophobicContact CD1-CD2 3.71Å; L44-L69 HydrophobicContact CB-CB 4.43Å; L44-L69 WeakPolarHBondContact CB-O 3.34Å; L44-L69 HydrophobicContact CD1-CB 3.93Å; L44-L69 HydrophobicContact CD1-CD2 4.32Å; L44-L69 HydrophobicContact CG-CB 4.2Å; L44-L69 PolarHBondContact N-O 3.17Å; L44-G70 CarbonylContact O-C 3.58Å; L44-A71 HydrophobicContact CB-CB 3.91Å; L44-A71 HydrophobicContact CD1-CB 4.27Å; L44-Q369 HydrophobicContact CD2-CB 4.4Å; L44-I370 HydrophobicContact CD2-CG1 3.95Å; L44-I370 HydrophobicContact CG-CG1 4.19Å; L44-W373 HydrophobicContact CD2-CB 4.07Å; L44-W373 HydrophobicContact CD2-CG 4.27Å |
| 45 | T | 98.7 | Very high | 98.3 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 125.4 | 174.1 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | K42 P43 A47 G70 W373 | K42-T45 WeakPolarHBondContact CB-OG1 3.46Å; K42-T45 WeakPolarHBondContact O-CB 3.5Å; K42-T45 PolarHBondContact O-N 3.44Å; K42-T45 PolarHBondContact O-OG1 3.3Å; P43-T45 VanDerWaalsContact C-N 3.33Å; T45-A47 VanDerWaalsContact C-N 3.33Å; T45-G70 WeakPolarHBondContact CA-O 3.24Å; T45-W373 PolarHBondContact O-NE1 3.12Å |
| 46 | G | 98.4 | Very high | 98.3 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -9.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L44 N126 W373 | L44-G46 PolarHBondContact O-N 3.08Å; G46-N126 PolarHBondContact O-ND2 3.16Å; G46-W373 WeakPolarHBondContact O-CH2 3.49Å |
| 47 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -69.4 | 137.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L44 T45 I49 A71 S72 M127 W373 | L44-A47 HydrophobicContact CB-CB 4.21Å; L44-A47 WeakPolarHBondContact O-CB 3.33Å; L44-A47 PolarHBondContact O-N 3.17Å; T45-A47 VanDerWaalsContact C-N 3.33Å; A47-I49 HydrophobicContact CB-CD1 4.48Å; A47-I49 HydrophobicContact CB-CG1 4.13Å; A47-A71 HydrophobicContact CB-CB 4.24Å; A47-S72 PolarHBondContact O-N 3.02Å; A47-M127 HydrophobicContact CB-CG 4.35Å; A47-W373 HydrophobicContact CB-CD2 3.85Å; A47-W373 HydrophobicContact CB-CE3 4.11Å; A47-W373 HydrophobicContact CB-CG 4.26Å; A47-W373 HydrophobicContact CB-CZ2 4.33Å; A47-W373 HydrophobicContact CB-CZ3 4.47Å; A47-W373 VanDerWaalsContact N-CZ2 3.35Å | ||
| 48 | R | 98.9 | Very high | 98.4 | Very high | 44 Ų | 44 | 36.3 Ų | 36.3 | 17% | 0.166 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 86.8 | 176.2 | -70.7 | -173.3 | -55.2 | -80.8 | -2.4 | 106.3 | S72 F119 P124 L125 N126 M127 | R48-S72 CarbonylContact C-O 3.36Å; R48-S72 WeakPolarHBondContact CA-O 3.48Å; R48-F119 HydrophobicContact CB-CD1 3.98Å; R48-F119 HydrophobicContact CB-CD2 3.8Å; R48-F119 HydrophobicContact CB-CE1 3.8Å; R48-F119 HydrophobicContact CB-CE2 3.63Å; R48-F119 HydrophobicContact CB-CG 3.99Å; R48-F119 HydrophobicContact CB-CZ 3.63Å; R48-F119 HydrophobicContact CG-CD1 3.95Å; R48-F119 HydrophobicContact CG-CD2 4.3Å; R48-F119 HydrophobicContact CG-CE1 4.19Å; R48-F119 HydrophobicContact CG-CG 4.03Å; R48-F119 HydrophobicContact CG-CZ 4.49Å; R48-P124 VanDerWaalsContact CZ-O 3.32Å; R48-P124 PolarHBondContact NE-O 3.14Å; R48-P124 PolarHBondContact NH2-O 2.76Å; R48-L125 WeakPolarHBondContact O-CA 3.23Å; R48-N126 VanDerWaalsContact CZ-ND2 3.32Å; R48-N126 PolarHBondContact N-OD1 3.19Å; R48-N126 PolarHBondContact NH1-ND2 2.93Å; R48-N126 PolarHBondContact NH2-ND2 3.46Å; R48-N126 PolarHBondContact O-N 3.3Å; R48-N126 PolarHBondContact O-OD1 3.32Å; R48-M127 PolarHBondContact O-N 3.28Å |
| 49 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 113.2 | -171.4 | -54.8 | 175.1 | 0 | 0 | 0 | 109 | L44 A47 L66 A71 S72 V73 Q74 M127 L129 | L44-I49 HydrophobicContact CD1-CD1 4.3Å; A47-I49 HydrophobicContact CB-CD1 4.48Å; A47-I49 HydrophobicContact CB-CG1 4.13Å; I49-L66 HydrophobicContact CD1-CB 4.33Å; I49-L66 HydrophobicContact CD1-CD1 4.15Å; I49-L66 HydrophobicContact CD1-CD2 3.94Å; I49-L66 HydrophobicContact CD1-CG 4.37Å; I49-A71 HydrophobicContact CD1-CB 3.6Å; I49-A71 HydrophobicContact CG1-CB 4.13Å; I49-S72 PolarHBondContact N-O 3.33Å; I49-V73 WeakPolarHBondContact O-CA 3.3Å; I49-Q74 PolarHBondContact O-N 3.23Å; I49-M127 WeakPolarHBondContact CA-O 3.22Å; I49-M127 HydrophobicContact CB-CB 4.41Å; I49-M127 HydrophobicContact CG1-CB 3.85Å; I49-M127 HydrophobicContact CG1-CG 4.49Å; I49-L129 HydrophobicContact CG2-CB 3.91Å |
| 50 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | L125 M127 L129 L135 | A50-L125 HydrophobicContact CB-CB 3.97Å; A50-L125 HydrophobicContact CB-CD1 3.58Å; A50-L125 HydrophobicContact CB-CG 4.42Å; A50-M127 PolarHBondContact N-O 3.42Å; A50-M127 VanDerWaalsContact N-O 3.09Å; A50-L129 PolarHBondContact O-N 3.47Å; A50-L135 HydrophobicContact CB-CD2 3.76Å; A50-L135 VanDerWaalsContact O-CD2 3.28Å; A50-L135 WeakPolarHBondContact O-CD2 3.46Å |
| 51 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q74 S76 L129 | G51-Q74 PolarHBondContact N-O 2.93Å; G51-S76 PolarHBondContact O-N 3.06Å; G51-S76 PolarHBondContact O-OG 3.15Å; G51-L129 WeakPolarHBondContact CA-O 3.45Å |
| 52 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 92.3 | 166.9 | -170.5 | 0 | 0 | 0 | 0 | 108.2 | S76 S77 L129 D131 L135 | C52-S76 WeakPolarHBondContact CA-O 3.18Å; C52-S77 PolarHBondContact SG-O 3.15Å; C52-L129 PolarHBondContact N-O 2.97Å; C52-D131 PolarHBondContact O-N 3.35Å; C52-L135 HydrophobicContact CB-CB 3.58Å; C52-L135 HydrophobicContact CB-CD2 4.05Å; C52-L135 HydrophobicContact CB-CG 4.45Å |
| 53 | L | 98.5 | Very high | 98.7 | Very high | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -155.4 | 143.2 | -175.9 | -165.2 | 151.9 | 0 | 0 | 0 | 108.5 | M55 T59 W75 S76 L129 D131 F362 | L53-M55 PolarHBondContact O-N 3.1Å; L53-M55 VanDerWaalsContact O-N 3.09Å; L53-T59 HydrophobicContact CD2-CG2 3.86Å; L53-T59 VanDerWaalsContact CD2-OG1 3.23Å; L53-T59 WeakPolarHBondContact CD2-OG1 3.47Å; L53-W75 HydrophobicContact CB-CZ2 3.99Å; L53-W75 PolarHBondContact O-NE1 2.73Å; L53-W75 VanDerWaalsContact O-NE1 3.14Å; L53-S76 PolarHBondContact N-O 3.01Å; L53-S76 VanDerWaalsContact N-O 3.13Å; L53-L129 HydrophobicContact CB-CD2 4.34Å; L53-L129 HydrophobicContact CD1-CD2 3.76Å; L53-D131 HydrophobicContact CB-CB 3.99Å; L53-D131 HydrophobicContact CD1-CB 3.88Å; L53-D131 HydrophobicContact CG-CB 3.62Å; L53-F362 HydrophobicContact CD1-CE1 3.85Å; L53-F362 HydrophobicContact CD1-CZ 4.46Å; L53-F362 HydrophobicContact CD2-CE1 3.85Å; L53-F362 HydrophobicContact CD2-CZ 3.64Å |
| 54 | H | 98.1 | Very high | 98.7 | Very high | 22 Ų | 22 | 12.2 Ų | 12.2 | 10% | 0.102 | 7% | 0.073 | C | C | . | . | trans | -33.8 | 115.1 | 177.1 | -58.6 | -56.6 | 0 | 0 | 0 | 113 | T56 T59 C78 S82 L347 | H54-T56 VanDerWaalsContact C-N 3.31Å; H54-T56 HydrophobicContact CB-CG2 4.03Å; H54-T56 PolarHBondContact O-N 2.73Å; H54-T59 VanDerWaalsContact O-CB 3.22Å; H54-T59 WeakPolarHBondContact O-CB 3.39Å; H54-T59 PolarHBondContact O-OG1 2.99Å; H54-C78 PolarHBondContact CE1-SG 3.14Å; H54-C78 PolarHBondContact N-SG 3.49Å; H54-C78 PolarHBondContact ND1-SG 3.42Å; H54-C78 VanDerWaalsContact ND1-SG 3.4Å; H54-S82 WeakPolarHBondContact ND1-CB 3.46Å; H54-S82 PolarHBondContact ND1-OG 3.06Å; H54-L347 VanDerWaalsContact NE2-CD1 3.29Å; H54-L347 WeakPolarHBondContact NE2-CD1 3.3Å | ||
| 55 | M | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -79.7 | 77.3 | -175.6 | -174.5 | 63.2 | -110 | 0 | 0 | 111.5 | L53 A60 I63 W75 T83 Q84 A87 A88 I91 V98 A100 | L53-M55 PolarHBondContact O-N 3.1Å; L53-M55 VanDerWaalsContact O-N 3.09Å; M55-A60 HydrophobicContact CE-CB 4.05Å; M55-I63 HydrophobicContact CE-CD1 3.91Å; M55-I63 HydrophobicContact SD-CD1 3.86Å; M55-W75 HydrophobicContact SD-CG 4.45Å; M55-T83 HydrophobicContact CB-CG2 3.96Å; M55-T83 HydrophobicContact CG-CG2 4.18Å; M55-T83 WeakPolarHBondContact O-CA 3.4Å; M55-Q84 PolarHBondContact O-N 3.37Å; M55-A87 HydrophobicContact CE-CB 4.37Å; M55-A88 HydrophobicContact CG-CB 3.81Å; M55-I91 HydrophobicContact CE-CG1 3.98Å; M55-V98 HydrophobicContact CG-CG1 4.08Å; M55-V98 HydrophobicContact SD-CG1 3.93Å; M55-V98 HydrophobicContact SD-CG2 4.44Å; M55-A100 HydrophobicContact CB-CB 3.79Å; M55-A100 HydrophobicContact CG-CB 3.94Å | ||
| 56 | T | 98.2 | Very high | 98.7 | Very high | 7 Ų | 7 | 8 Ų | 8 | 4% | 0.043 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -106.6 | 173.6 | -177.2 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | H54 Q58 T59 A60 L347 | H54-T56 VanDerWaalsContact C-N 3.31Å; H54-T56 HydrophobicContact CB-CG2 4.03Å; H54-T56 PolarHBondContact O-N 2.73Å; T56-Q58 PolarHBondContact O-N 2.6Å; T56-Q58 PolarHBondContact OG1-N 3.16Å; T56-Q58 PolarHBondContact OG1-OE1 3.24Å; T56-T59 PolarHBondContact O-N 3.38Å; T56-T59 PolarHBondContact OG1-N 2.91Å; T56-T59 VanDerWaalsContact OG1-N 3.12Å; T56-T59 PolarHBondContact OG1-OG1 2.91Å; T56-A60 PolarHBondContact O-N 2.66Å; T56-L347 HydrophobicContact CG2-CD2 4.5Å |
| 57 | V | 98.5 | Very high | 98.7 | Very high | 4 Ų | 4 | 8.8 Ų | 8.8 | 2% | 0.024 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -57.5 | -38 | 168.8 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | E20 I21 A24 A60 V61 Q84 A87 | E20-V57 HydrophobicContact CB-CG1 4.06Å; E20-V57 HydrophobicContact CB-CG2 3.78Å; I21-V57 HydrophobicContact CG1-CG1 4.27Å; A24-V57 HydrophobicContact CB-CG1 3.55Å; V57-A60 WeakPolarHBondContact O-CB 2.92Å; V57-A60 PolarHBondContact O-N 2.96Å; V57-V61 PolarHBondContact O-N 3.4Å; V57-Q84 VanDerWaalsContact CG2-OE1 3.28Å; V57-A87 HydrophobicContact CB-CB 4.47Å; V57-A87 HydrophobicContact CG2-CB 3.87Å |
| 58 | Q | 98.6 | Very high | 98.7 | Very high | 19 Ų | 19 | 12.6 Ų | 12.6 | 9% | 0.089 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.5 | -44.6 | 178.5 | -64.1 | 72.9 | 22.4 | 0 | 0 | 110.5 | M28 T56 A60 V61 L62 S355 M358 F362 | M28-Q58 HydrophobicContact CE-CB 3.97Å; M28-Q58 HydrophobicContact CE-CG 4.46Å; M28-Q58 HydrophobicContact SD-CB 4.27Å; M28-Q58 HydrophobicContact SD-CG 4.43Å; T56-Q58 PolarHBondContact O-N 2.6Å; T56-Q58 PolarHBondContact OG1-N 3.16Å; T56-Q58 PolarHBondContact OG1-OE1 3.24Å; Q58-A60 VanDerWaalsContact C-N 3.27Å; Q58-A60 PolarHBondContact O-N 3.24Å; Q58-V61 WeakPolarHBondContact O-CB 3.29Å; Q58-V61 PolarHBondContact O-N 3.42Å; Q58-V61 VanDerWaalsContact O-N 3.1Å; Q58-L62 PolarHBondContact O-N 3.4Å; Q58-S355 PolarHBondContact NE2-OG 3.03Å; Q58-M358 HydrophobicContact CB-CB 3.9Å; Q58-M358 HydrophobicContact CB-CG 4.12Å; Q58-M358 HydrophobicContact CG-CB 3.96Å; Q58-M358 HydrophobicContact CG-CG 3.98Å; Q58-F362 HydrophobicContact CB-CD2 4.49Å; Q58-F362 HydrophobicContact CB-CE2 3.79Å |
| 59 | T | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66 | -32.5 | 178.1 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | L53 H54 T56 V61 L62 I63 W75 | L53-T59 HydrophobicContact CD2-CG2 3.86Å; L53-T59 VanDerWaalsContact CD2-OG1 3.23Å; L53-T59 WeakPolarHBondContact CD2-OG1 3.47Å; H54-T59 VanDerWaalsContact O-CB 3.22Å; H54-T59 WeakPolarHBondContact O-CB 3.39Å; H54-T59 PolarHBondContact O-OG1 2.99Å; T56-T59 PolarHBondContact O-N 3.38Å; T56-T59 PolarHBondContact OG1-N 2.91Å; T56-T59 VanDerWaalsContact OG1-N 3.12Å; T56-T59 PolarHBondContact OG1-OG1 2.91Å; T59-V61 VanDerWaalsContact C-N 3.3Å; T59-V61 PolarHBondContact O-N 2.74Å; T59-L62 WeakPolarHBondContact O-CB 3.34Å; T59-L62 PolarHBondContact O-N 2.83Å; T59-L62 VanDerWaalsContact O-N 3.14Å; T59-I63 HydrophobicContact CG2-CD1 4.18Å; T59-I63 HydrophobicContact CG2-CG1 4.41Å; T59-I63 VanDerWaalsContact O-CG1 3.31Å; T59-I63 WeakPolarHBondContact O-CG1 3.15Å; T59-I63 PolarHBondContact O-N 3.3Å; T59-W75 HydrophobicContact CG2-CZ2 3.48Å; T59-W75 VanDerWaalsContact CG2-CZ2 3.48Å |
| 60 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.8 | -39.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I21 M55 T56 V57 Q58 I63 E64 I91 | I21-A60 HydrophobicContact CD1-CB 3.61Å; I21-A60 HydrophobicContact CG1-CB 3.79Å; M55-A60 HydrophobicContact CE-CB 4.05Å; T56-A60 PolarHBondContact O-N 2.66Å; V57-A60 WeakPolarHBondContact O-CB 2.92Å; V57-A60 PolarHBondContact O-N 2.96Å; Q58-A60 VanDerWaalsContact C-N 3.27Å; Q58-A60 PolarHBondContact O-N 3.24Å; A60-I63 PolarHBondContact O-N 3.41Å; A60-E64 WeakPolarHBondContact O-CG 3.42Å; A60-E64 PolarHBondContact O-N 3.25Å; A60-I91 HydrophobicContact CB-CD1 3.63Å; A60-I91 HydrophobicContact CB-CG1 3.55Å |
| 61 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66 | -38.5 | 174.3 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | I21 A24 E25 M28 L31 R35 V57 Q58 T59 T65 | I21-V61 HydrophobicContact CG2-CG2 4.13Å; A24-V61 HydrophobicContact CB-CG2 4.09Å; E25-V61 HydrophobicContact CG-CG1 4.07Å; E25-V61 HydrophobicContact CG-CG2 4.07Å; M28-V61 HydrophobicContact CB-CG1 4.36Å; M28-V61 HydrophobicContact CE-CB 4.37Å; M28-V61 HydrophobicContact SD-CB 3.62Å; M28-V61 HydrophobicContact SD-CG1 3.9Å; M28-V61 HydrophobicContact SD-CG2 3.67Å; L31-V61 HydrophobicContact CB-CG1 4.22Å; L31-V61 HydrophobicContact CD1-CB 4.08Å; L31-V61 HydrophobicContact CD1-CG1 3.69Å; R35-V61 PolarHBondContact NH2-O 3.23Å; V57-V61 PolarHBondContact O-N 3.4Å; Q58-V61 WeakPolarHBondContact O-CB 3.29Å; Q58-V61 PolarHBondContact O-N 3.42Å; Q58-V61 VanDerWaalsContact O-N 3.1Å; T59-V61 VanDerWaalsContact C-N 3.3Å; T59-V61 PolarHBondContact O-N 2.74Å; V61-T65 WeakPolarHBondContact O-CB 3.43Å; V61-T65 PolarHBondContact O-N 3.5Å; V61-T65 PolarHBondContact O-OG1 2.57Å |
| 62 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.7 | -51.3 | 172.8 | 166.4 | 62.2 | 0 | 0 | 0 | 111.4 | L31 Q58 T59 E64 T65 L66 W75 L129 F362 Q365 V366 | L31-L62 HydrophobicContact CD1-CB 4.25Å; Q58-L62 PolarHBondContact O-N 3.4Å; T59-L62 WeakPolarHBondContact O-CB 3.34Å; T59-L62 PolarHBondContact O-N 2.83Å; T59-L62 VanDerWaalsContact O-N 3.14Å; L62-E64 VanDerWaalsContact C-N 3.35Å; L62-E64 PolarHBondContact O-N 3Å; L62-T65 WeakPolarHBondContact O-CA 3.39Å; L62-T65 VanDerWaalsContact O-CB 3.31Å; L62-T65 WeakPolarHBondContact O-CB 3.49Å; L62-T65 PolarHBondContact O-N 3.25Å; L62-L66 HydrophobicContact CD1-CD1 4.04Å; L62-L66 HydrophobicContact CD1-CD2 4.47Å; L62-L66 HydrophobicContact CD1-CG 4.05Å; L62-L66 HydrophobicContact CG-CD1 4.24Å; L62-L66 WeakPolarHBondContact O-CG 3.45Å; L62-L66 PolarHBondContact O-N 3.44Å; L62-W75 HydrophobicContact CD2-CH2 3.95Å; L62-W75 HydrophobicContact CD2-CZ2 4.15Å; L62-W75 HydrophobicContact CG-CH2 4.24Å; L62-L129 HydrophobicContact CD2-CD1 4.18Å; L62-L129 HydrophobicContact CD2-CD2 4.42Å; L62-F362 HydrophobicContact CB-CB 4.15Å; L62-F362 HydrophobicContact CB-CD2 3.78Å; L62-F362 HydrophobicContact CB-CE2 4.41Å; L62-F362 HydrophobicContact CB-CG 4.07Å; L62-F362 HydrophobicContact CD1-CB 4.16Å; L62-F362 HydrophobicContact CD2-CB 4.2Å; L62-F362 HydrophobicContact CD2-CD1 3.88Å; L62-F362 HydrophobicContact CD2-CD2 4.15Å; L62-F362 HydrophobicContact CD2-CE1 4.26Å; L62-F362 HydrophobicContact CD2-CG 3.82Å; L62-F362 HydrophobicContact CG-CB 4.39Å; L62-F362 HydrophobicContact CG-CG 4.39Å; L62-Q365 HydrophobicContact CD1-CB 4.49Å; L62-V366 HydrophobicContact CD1-CG2 3.55Å |
| 63 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -54.8 | -51 | 178.9 | -70.6 | 166.3 | 0 | 0 | 0 | 110.6 | M55 T59 A60 T65 L66 V67 V73 W75 I91 V96 | M55-I63 HydrophobicContact CE-CD1 3.91Å; M55-I63 HydrophobicContact SD-CD1 3.86Å; T59-I63 HydrophobicContact CG2-CD1 4.18Å; T59-I63 HydrophobicContact CG2-CG1 4.41Å; T59-I63 VanDerWaalsContact O-CG1 3.31Å; T59-I63 WeakPolarHBondContact O-CG1 3.15Å; T59-I63 PolarHBondContact O-N 3.3Å; A60-I63 PolarHBondContact O-N 3.41Å; I63-T65 VanDerWaalsContact C-N 3.26Å; I63-T65 PolarHBondContact O-N 3.4Å; I63-L66 PolarHBondContact O-N 3.34Å; I63-V67 WeakPolarHBondContact O-CG2 3.42Å; I63-V67 PolarHBondContact O-N 3.33Å; I63-V73 HydrophobicContact CG2-CG1 4.14Å; I63-W75 HydrophobicContact CD1-CB 4.08Å; I63-W75 HydrophobicContact CD1-CD2 3.53Å; I63-W75 HydrophobicContact CD1-CE3 3.93Å; I63-W75 HydrophobicContact CD1-CG 3.62Å; I63-W75 HydrophobicContact CD1-CZ2 4.47Å; I63-W75 HydrophobicContact CG1-CD2 3.6Å; I63-W75 HydrophobicContact CG1-CE3 3.5Å; I63-W75 HydrophobicContact CG1-CG 4.23Å; I63-W75 HydrophobicContact CG1-CH2 3.9Å; I63-W75 HydrophobicContact CG1-CZ2 4.06Å; I63-W75 HydrophobicContact CG1-CZ3 3.65Å; I63-I91 HydrophobicContact CB-CD1 4.39Å; I63-I91 HydrophobicContact CD1-CG1 4.37Å; I63-I91 HydrophobicContact CD1-CG2 4.28Å; I63-I91 HydrophobicContact CG2-CD1 4.24Å; I63-I91 HydrophobicContact CG2-CG2 3.99Å; I63-V96 HydrophobicContact CG2-CG1 3.9Å; I63-V96 HydrophobicContact CG2-CG2 4.36Å |
| 64 | E | 98.9 | Very high | 98.7 | Very high | 30 Ų | 30 | 14.9 Ų | 14.9 | 14% | 0.14 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65 | -31.1 | 179.6 | -70.7 | -168 | 146.4 | 0 | 0 | 112.5 | R18 A60 L62 V67 E68 I91 | R18-E64 IonicContact CZ-OE1 2.75Å; R18-E64 IonicContact CZ-OE2 3.91Å; R18-E64 IonicContact NH1-OE1 3.42Å; R18-E64 PolarHBondContact NH1-OE1 3.35Å; R18-E64 IonicContact NH1-OE2 3.8Å; R18-E64 PolarHBondContact NH1-OE2 3.36Å; R18-E64 IonicContact NH2-OE1 3.5Å; R18-E64 PolarHBondContact NH2-OE1 2.98Å; A60-E64 WeakPolarHBondContact O-CG 3.42Å; A60-E64 PolarHBondContact O-N 3.25Å; L62-E64 VanDerWaalsContact C-N 3.35Å; L62-E64 PolarHBondContact O-N 3Å; E64-V67 PolarHBondContact O-N 3.01Å; E64-E68 WeakPolarHBondContact O-CB 3.34Å; E64-E68 PolarHBondContact O-N 3.08Å; E64-I91 HydrophobicContact CG-CD1 3.79Å |
| 65 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.7 | -47.3 | 172.9 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | L31 M34 R35 V61 L62 I63 V67 E68 L69 V366 | L31-T65 HydrophobicContact CD2-CG2 4.36Å; M34-T65 HydrophobicContact CB-CG2 4.15Å; R35-T65 HydrophobicContact CG-CG2 3.85Å; R35-T65 PolarHBondContact NE-OG1 2.89Å; R35-T65 PolarHBondContact NH2-OG1 2.74Å; V61-T65 WeakPolarHBondContact O-CB 3.43Å; V61-T65 PolarHBondContact O-N 3.5Å; V61-T65 PolarHBondContact O-OG1 2.57Å; L62-T65 WeakPolarHBondContact O-CA 3.39Å; L62-T65 VanDerWaalsContact O-CB 3.31Å; L62-T65 WeakPolarHBondContact O-CB 3.49Å; L62-T65 PolarHBondContact O-N 3.25Å; I63-T65 VanDerWaalsContact C-N 3.26Å; I63-T65 PolarHBondContact O-N 3.4Å; T65-V67 VanDerWaalsContact C-N 3.32Å; T65-V67 PolarHBondContact O-N 2.98Å; T65-E68 PolarHBondContact O-N 2.76Å; T65-L69 HydrophobicContact CG2-CD1 4.11Å; T65-L69 WeakPolarHBondContact O-CB 3.29Å; T65-L69 VanDerWaalsContact O-CD1 3.24Å; T65-L69 WeakPolarHBondContact O-CD1 3.23Å; T65-L69 PolarHBondContact O-N 3.29Å; T65-V366 HydrophobicContact CG2-CG1 4.43Å; T65-V366 HydrophobicContact CG2-CG2 3.96Å |
| 66 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 177.7 | -65.4 | 170 | 0 | 0 | 0 | 111.5 | L44 I49 L62 I63 L69 G70 A71 V73 W75 L129 V366 Q369 | L44-L66 HydrophobicContact CD1-CD2 3.71Å; I49-L66 HydrophobicContact CD1-CB 4.33Å; I49-L66 HydrophobicContact CD1-CD1 4.15Å; I49-L66 HydrophobicContact CD1-CD2 3.94Å; I49-L66 HydrophobicContact CD1-CG 4.37Å; L62-L66 HydrophobicContact CD1-CD1 4.04Å; L62-L66 HydrophobicContact CD1-CD2 4.47Å; L62-L66 HydrophobicContact CD1-CG 4.05Å; L62-L66 HydrophobicContact CG-CD1 4.24Å; L62-L66 WeakPolarHBondContact O-CG 3.45Å; L62-L66 PolarHBondContact O-N 3.44Å; I63-L66 PolarHBondContact O-N 3.34Å; L66-L69 CarbonylContact O-C 3.59Å; L66-L69 PolarHBondContact O-N 3.41Å; L66-G70 PolarHBondContact O-N 3.19Å; L66-A71 HydrophobicContact CB-CB 4.34Å; L66-A71 VanDerWaalsContact O-CB 3.31Å; L66-A71 WeakPolarHBondContact O-CB 3.22Å; L66-A71 PolarHBondContact O-N 3.36Å; L66-V73 HydrophobicContact CB-CG2 3.91Å; L66-W75 HydrophobicContact CD1-CH2 4.12Å; L66-W75 HydrophobicContact CD1-CZ3 3.93Å; L66-L129 HydrophobicContact CD1-CD1 3.94Å; L66-V366 HydrophobicContact CD2-CG2 4.03Å; L66-Q369 HydrophobicContact CD2-CB 4.45Å; L66-Q369 HydrophobicContact CD2-CG 4.4Å |
| 67 | V | 98.8 | Very high | 98.8 | Very high | 56 Ų | 56 | 13.5 Ų | 13.5 | 34% | 0.339 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111.6 | I63 E64 T65 L69 G70 V73 V96 | I63-V67 WeakPolarHBondContact O-CG2 3.42Å; I63-V67 PolarHBondContact O-N 3.33Å; E64-V67 PolarHBondContact O-N 3.01Å; T65-V67 VanDerWaalsContact C-N 3.32Å; T65-V67 PolarHBondContact O-N 2.98Å; V67-L69 PolarHBondContact O-N 3.14Å; V67-G70 WeakPolarHBondContact O-CA 3.28Å; V67-G70 PolarHBondContact O-N 2.89Å; V67-V73 HydrophobicContact CG2-CB 4.12Å; V67-V73 HydrophobicContact CG2-CG2 3.75Å; V67-V96 HydrophobicContact CG2-CG2 3.93Å |
| 68 | E | 98.7 | Very high | 98.7 | Very high | 80 Ų | 80 | 13.6 Ų | 13.6 | 37% | 0.374 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 177.5 | -175.2 | 164.9 | 170.9 | 0 | 0 | 111.6 | R35 K42 E64 T65 G70 | R35-E68 WeakPolarHBondContact CD-OE2 3.41Å; R35-E68 HydrophobicContact CG-CB 4.43Å; R35-E68 HydrophobicContact CG-CG 4.4Å; R35-E68 VanDerWaalsContact CG-OE2 3.31Å; R35-E68 WeakPolarHBondContact CG-OE2 3.41Å; R35-E68 IonicContact NE-OE2 2.93Å; R35-E68 IonicContact NH1-OE2 2.71Å; K42-E68 PolarHBondContact NZ-O 3.02Å; E64-E68 WeakPolarHBondContact O-CB 3.34Å; E64-E68 PolarHBondContact O-N 3.08Å; T65-E68 PolarHBondContact O-N 2.76Å; E68-G70 PolarHBondContact O-N 3.06Å |
| 69 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 1.2 | 174.5 | -88.3 | 64.2 | 0 | 0 | 0 | 114.2 | K42 P43 L44 T65 L66 V67 V366 I370 | K42-L69 CarbonylContact C-O 3.55Å; K42-L69 WeakPolarHBondContact CA-O 3.37Å; P43-L69 HydrophobicContact CG-CD2 4.34Å; P43-L69 HydrophobicContact CG-CG 4.38Å; L44-L69 HydrophobicContact CB-CB 4.43Å; L44-L69 WeakPolarHBondContact CB-O 3.34Å; L44-L69 HydrophobicContact CD1-CB 3.93Å; L44-L69 HydrophobicContact CD1-CD2 4.32Å; L44-L69 HydrophobicContact CG-CB 4.2Å; L44-L69 PolarHBondContact N-O 3.17Å; T65-L69 HydrophobicContact CG2-CD1 4.11Å; T65-L69 WeakPolarHBondContact O-CB 3.29Å; T65-L69 VanDerWaalsContact O-CD1 3.24Å; T65-L69 WeakPolarHBondContact O-CD1 3.23Å; T65-L69 PolarHBondContact O-N 3.29Å; L66-L69 CarbonylContact O-C 3.59Å; L66-L69 PolarHBondContact O-N 3.41Å; V67-L69 PolarHBondContact O-N 3.14Å; L69-V366 HydrophobicContact CD2-CG1 3.7Å; L69-I370 HydrophobicContact CD2-CD1 3.75Å; L69-I370 HydrophobicContact CD2-CG1 4.33Å |
| 70 | G | 98.7 | Very high | 98.3 | Very high | 18 Ų | 18 | 13.6 Ų | 13.6 | 19% | 0.186 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.8 | 1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L44 T45 L66 V67 E68 | L44-G70 CarbonylContact O-C 3.58Å; T45-G70 WeakPolarHBondContact CA-O 3.24Å; L66-G70 PolarHBondContact O-N 3.19Å; V67-G70 WeakPolarHBondContact O-CA 3.28Å; V67-G70 PolarHBondContact O-N 2.89Å; E68-G70 PolarHBondContact O-N 3.06Å |
| 71 | A | 98.9 | Very high | 98 | Very high | 7 Ų | 7 | 14.2 Ų | 14.2 | 6% | 0.058 | 8% | 0.084 | C | C | . | . | trans | -72.4 | 147 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L44 A47 I49 L66 V73 | L44-A71 HydrophobicContact CB-CB 3.91Å; L44-A71 HydrophobicContact CD1-CB 4.27Å; A47-A71 HydrophobicContact CB-CB 4.24Å; I49-A71 HydrophobicContact CD1-CB 3.6Å; I49-A71 HydrophobicContact CG1-CB 4.13Å; L66-A71 HydrophobicContact CB-CB 4.34Å; L66-A71 VanDerWaalsContact O-CB 3.31Å; L66-A71 WeakPolarHBondContact O-CB 3.22Å; L66-A71 PolarHBondContact O-N 3.36Å; A71-V73 HydrophobicContact CB-CG2 3.99Å | ||
| 72 | S | 98.8 | Very high | 97.9 | Very high | 61 Ų | 61 | 14.4 Ų | 14.4 | 43% | 0.427 | 9% | 0.086 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 135.1 | 153.5 | -61.6 | 0 | 0 | 0 | 0 | 108.2 | A47 R48 I49 F119 | A47-S72 PolarHBondContact O-N 3.02Å; R48-S72 CarbonylContact C-O 3.36Å; R48-S72 WeakPolarHBondContact CA-O 3.48Å; I49-S72 PolarHBondContact N-O 3.33Å; S72-F119 WeakPolarHBondContact O-CE1 3.39Å |
| 73 | V | 98.9 | Very high | 97.9 | Very high | 7 Ų | 7 | 14.5 Ų | 14.5 | 4% | 0.042 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.7 | -173.6 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | I49 I63 L66 V67 A71 W75 V96 P97 | I49-V73 WeakPolarHBondContact O-CA 3.3Å; I63-V73 HydrophobicContact CG2-CG1 4.14Å; L66-V73 HydrophobicContact CB-CG2 3.91Å; V67-V73 HydrophobicContact CG2-CB 4.12Å; V67-V73 HydrophobicContact CG2-CG2 3.75Å; A71-V73 HydrophobicContact CB-CG2 3.99Å; V73-W75 HydrophobicContact CG1-CE3 3.36Å; V73-W75 HydrophobicContact CG1-CZ3 3.65Å; V73-V96 HydrophobicContact CB-CG1 4.32Å; V73-V96 HydrophobicContact CG1-CG1 4.36Å; V73-P97 WeakPolarHBondContact O-CD 3.32Å |
| 74 | Q | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 143.7 | 164.7 | -57.2 | -171.1 | 132.6 | 0 | 0 | 108.5 | I49 G51 P97 T116 I118 F119 | I49-Q74 PolarHBondContact O-N 3.23Å; G51-Q74 PolarHBondContact N-O 2.93Å; Q74-P97 WeakPolarHBondContact CA-O 3.26Å; Q74-P97 HydrophobicContact CB-CB 4.28Å; Q74-P97 HydrophobicContact CG-CB 3.97Å; Q74-P97 HydrophobicContact CG-CG 3.96Å; Q74-T116 HydrophobicContact CB-CG2 4.47Å; Q74-T116 PolarHBondContact NE2-O 3.3Å; Q74-I118 PolarHBondContact NE2-O 2.99Å; Q74-I118 PolarHBondContact OE1-O 3.11Å; Q74-F119 HydrophobicContact CB-CZ 4.31Å; Q74-F119 HydrophobicContact CG-CD1 4.03Å; Q74-F119 HydrophobicContact CG-CE1 3.73Å; Q74-F119 HydrophobicContact CG-CE2 4.29Å; Q74-F119 HydrophobicContact CG-CG 4.43Å; Q74-F119 HydrophobicContact CG-CZ 3.85Å |
| 75 | W | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.9 | -168 | -141.1 | -89.4 | 0 | 0 | 0 | 114.7 | L53 M55 T59 L62 I63 L66 V73 P97 V98 Y99 L129 | L53-W75 HydrophobicContact CB-CZ2 3.99Å; L53-W75 PolarHBondContact O-NE1 2.73Å; L53-W75 VanDerWaalsContact O-NE1 3.14Å; M55-W75 HydrophobicContact SD-CG 4.45Å; T59-W75 HydrophobicContact CG2-CZ2 3.48Å; T59-W75 VanDerWaalsContact CG2-CZ2 3.48Å; L62-W75 HydrophobicContact CD2-CH2 3.95Å; L62-W75 HydrophobicContact CD2-CZ2 4.15Å; L62-W75 HydrophobicContact CG-CH2 4.24Å; I63-W75 HydrophobicContact CD1-CB 4.08Å; I63-W75 HydrophobicContact CD1-CD2 3.53Å; I63-W75 HydrophobicContact CD1-CE3 3.93Å; I63-W75 HydrophobicContact CD1-CG 3.62Å; I63-W75 HydrophobicContact CD1-CZ2 4.47Å; I63-W75 HydrophobicContact CG1-CD2 3.6Å; I63-W75 HydrophobicContact CG1-CE3 3.5Å; I63-W75 HydrophobicContact CG1-CG 4.23Å; I63-W75 HydrophobicContact CG1-CH2 3.9Å; I63-W75 HydrophobicContact CG1-CZ2 4.06Å; I63-W75 HydrophobicContact CG1-CZ3 3.65Å; L66-W75 HydrophobicContact CD1-CH2 4.12Å; L66-W75 HydrophobicContact CD1-CZ3 3.93Å; V73-W75 HydrophobicContact CG1-CE3 3.36Å; V73-W75 HydrophobicContact CG1-CZ3 3.65Å; W75-P97 PolarHBondContact N-O 3.2Å; W75-V98 HydrophobicContact CB-CG2 4.18Å; W75-V98 WeakPolarHBondContact O-CA 3.27Å; W75-Y99 PolarHBondContact O-N 3.48Å; W75-L129 HydrophobicContact CH2-CD1 3.98Å; W75-L129 HydrophobicContact CH2-CD2 3.83Å; W75-L129 HydrophobicContact CH2-CG 4.39Å; W75-L129 HydrophobicContact CZ2-CD2 3.99Å |
| 76 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 156.9 | 169.1 | 58.4 | 0 | 0 | 0 | 0 | 109.8 | G51 C52 L53 Y99 | G51-S76 PolarHBondContact O-N 3.06Å; G51-S76 PolarHBondContact O-OG 3.15Å; C52-S76 WeakPolarHBondContact CA-O 3.18Å; L53-S76 PolarHBondContact N-O 3.01Å; L53-S76 VanDerWaalsContact N-O 3.13Å; S76-Y99 WeakPolarHBondContact CA-O 3.45Å |
| 77 | S | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | trans | -76.3 | 154.3 | 170.6 | -167.8 | 0 | 0 | 0 | 0 | 110.2 | C52 N79 S82 T83 Y109 | C52-S77 PolarHBondContact SG-O 3.15Å; S77-N79 PolarHBondContact OG-N 3.33Å; S77-N79 PolarHBondContact OG-O 3.48Å; S77-S82 PolarHBondContact OG-OG 2.97Å; S77-T83 WeakPolarHBondContact CB-OG1 3.47Å; S77-T83 PolarHBondContact OG-OG1 2.81Å; S77-Y109 WeakPolarHBondContact O-CE2 3.08Å | ||
| 78 | C | 96.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 13.7 Ų | 13.7 | 3% | 0.034 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -98.3 | 6.8 | 169.1 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | H54 Y109 D131 | H54-C78 PolarHBondContact CE1-SG 3.14Å; H54-C78 PolarHBondContact N-SG 3.49Å; H54-C78 PolarHBondContact ND1-SG 3.42Å; H54-C78 VanDerWaalsContact ND1-SG 3.4Å; C78-Y109 WeakPolarHBondContact CA-OH 3.47Å; C78-Y109 PolarHBondContact O-OH 2.74Å; C78-D131 HydrophobicContact CB-CB 4.5Å; C78-D131 WeakPolarHBondContact CB-O 3.47Å |
| 79 | N | 93.9 | Very high | 97.8 | Very high | 10 Ų | 10 | 9.9 Ų | 9.9 | 5% | 0.053 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -152.8 | 137 | 175.9 | -174.1 | -79.7 | 0 | 0 | 0 | 111.4 | S77 F81 S82 | S77-N79 PolarHBondContact OG-N 3.33Å; S77-N79 PolarHBondContact OG-O 3.48Å; N79-F81 PolarHBondContact O-N 3.39Å; N79-F81 PolarHBondContact OD1-N 2.8Å; N79-S82 WeakPolarHBondContact CB-OG 3.36Å; N79-S82 PolarHBondContact O-N 2.81Å; N79-S82 PolarHBondContact O-OG 2.87Å; N79-S82 VanDerWaalsContact O-OG 3.09Å; N79-S82 PolarHBondContact OD1-N 2.64Å |
| 80 | I | 95.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 10 Ų | 10 | 5% | 0.051 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.8 | -174.8 | 64.5 | 171.6 | 0 | 0 | 0 | 114.6 | G103 E104 Y109 R343 | I80-G103 WeakPolarHBondContact O-CA 3.33Å; I80-G103 PolarHBondContact O-N 3.25Å; I80-E104 HydrophobicContact CB-CB 4.04Å; I80-E104 WeakPolarHBondContact CB-O 3.37Å; I80-E104 HydrophobicContact CG2-CB 4.01Å; I80-E104 PolarHBondContact O-N 2.99Å; I80-Y109 HydrophobicContact CG2-CD2 4.06Å; I80-Y109 HydrophobicContact CG2-CG 4.04Å; I80-R343 VanDerWaalsContact CD1-CZ 3.45Å; I80-R343 VanDerWaalsContact CD1-NH2 3.35Å |
| 81 | F | 93.2 | Very high | 97.8 | Very high | 13 Ų | 13 | 9.2 Ų | 9.2 | 6% | 0.057 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -3.8 | -178.9 | -60 | -46 | 0 | 0 | 0 | 114.3 | N79 K102 Q324 E341 | N79-F81 PolarHBondContact O-N 3.39Å; N79-F81 PolarHBondContact OD1-N 2.8Å; F81-K102 PolarHBondContact O-NZ 2.9Å; F81-Q324 HydrophobicContact CG-CG 4.47Å; F81-E341 WeakPolarHBondContact CE2-OE1 3.41Å; F81-E341 WeakPolarHBondContact CZ-OE1 3.33Å |
| 82 | S | 95.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 9 Ų | 9 | 3% | 0.028 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -16.3 | -173 | 60.8 | 0 | 0 | 0 | 0 | 114.6 | H54 S77 N79 Q84 | H54-S82 WeakPolarHBondContact ND1-CB 3.46Å; H54-S82 PolarHBondContact ND1-OG 3.06Å; S77-S82 PolarHBondContact OG-OG 2.97Å; N79-S82 WeakPolarHBondContact CB-OG 3.36Å; N79-S82 PolarHBondContact O-N 2.81Å; N79-S82 PolarHBondContact O-OG 2.87Å; N79-S82 VanDerWaalsContact O-OG 3.09Å; N79-S82 PolarHBondContact OD1-N 2.64Å; S82-Q84 PolarHBondContact O-N 3.22Å |
| 83 | T | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.012 | 6% | 0.059 | C | C | . | . | trans | -62.2 | 135 | -176.7 | -58.3 | 0 | 0 | 0 | 0 | 111 | M55 S77 A88 A100 W101 K102 | M55-T83 HydrophobicContact CB-CG2 3.96Å; M55-T83 HydrophobicContact CG-CG2 4.18Å; M55-T83 WeakPolarHBondContact O-CA 3.4Å; S77-T83 WeakPolarHBondContact CB-OG1 3.47Å; S77-T83 PolarHBondContact OG-OG1 2.81Å; T83-A88 HydrophobicContact CG2-CB 4.05Å; T83-A100 HydrophobicContact CG2-CB 4.02Å; T83-W101 VanDerWaalsContact CB-C 3.44Å; T83-W101 PolarHBondContact OG1-O 3.36Å; T83-K102 WeakPolarHBondContact O-CB 3.09Å | ||
| 84 | Q | 98.4 | Very high | 97.8 | Very high | 18 Ų | 18 | 15 Ų | 15 | 8% | 0.084 | 8% | 0.076 | C | C | . | . | trans | -100.2 | 102.8 | 167.4 | -70.1 | 173.1 | 3.2 | 0 | 0 | 107.3 | M55 V57 S82 H86 A87 A88 H351 | M55-Q84 PolarHBondContact O-N 3.37Å; V57-Q84 VanDerWaalsContact CG2-OE1 3.28Å; S82-Q84 PolarHBondContact O-N 3.22Å; Q84-H86 PolarHBondContact O-N 3.29Å; Q84-H86 VanDerWaalsContact O-N 3.14Å; Q84-A87 HydrophobicContact CB-CB 4.06Å; Q84-A87 WeakPolarHBondContact O-CA 3.31Å; Q84-A87 WeakPolarHBondContact O-CB 3.24Å; Q84-A87 PolarHBondContact O-N 3.44Å; Q84-A88 PolarHBondContact O-N 3.2Å; Q84-H351 PolarHBondContact NE2-O 3.49Å | ||
| 85 | D | 98.7 | Very high | 97.7 | Very high | 38 Ų | 38 | 17.9 Ų | 17.9 | 20% | 0.203 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.2 | -32.5 | -167.8 | -64.5 | -41.2 | 0 | 0 | 0 | 113.5 | A9 L13 A88 A89 W101 K102 | A9-D85 HydrophobicContact CB-CB 3.96Å; L13-D85 HydrophobicContact CD1-CB 3.94Å; D85-A88 PolarHBondContact O-N 3.4Å; D85-A89 VanDerWaalsContact O-CB 3.3Å; D85-A89 WeakPolarHBondContact O-CB 3.48Å; D85-A89 PolarHBondContact O-N 3.04Å; D85-W101 VanDerWaalsContact OD1-CA 3.25Å; D85-W101 WeakPolarHBondContact OD1-CA 3.5Å; D85-K102 PolarHBondContact OD1-N 3.38Å |
| 86 | H | 98.7 | Very high | 97.7 | Very high | 13 Ų | 13 | 18.6 Ų | 18.6 | 6% | 0.06 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.1 | -36.5 | 174.3 | 60.7 | -64.4 | 0 | 0 | 0 | 112.5 | L13 W16 G17 E20 Q84 A90 | L13-H86 HydrophobicContact CB-CB 3.96Å; W16-H86 HydrophobicContact CD2-CB 3.82Å; W16-H86 AromaticContact CD2-CD2 3.94Å; W16-H86 AromaticContact CD2-CG 3.95Å; W16-H86 AromaticContact CE2-CD2 3.69Å; W16-H86 AromaticContact CE2-CG 4Å; W16-H86 HydrophobicContact CE3-CB 3.58Å; W16-H86 AromaticContact CE3-CG 3.98Å; W16-H86 HydrophobicContact CG-CB 4.3Å; W16-H86 AromaticContact CZ2-CD2 3.98Å; W16-H86 HydrophobicContact CZ3-CB 3.96Å; W16-H86 AromaticContact NE1-CD2 3.87Å; G17-H86 VanDerWaalsContact CA-O 3.31Å; G17-H86 WeakPolarHBondContact CA-O 3.5Å; E20-H86 VanDerWaalsContact CD-NE2 3.31Å; E20-H86 IonicContact OE1-NE2 2.75Å; E20-H86 IonicContact OE2-CD2 2.95Å; E20-H86 IonicContact OE2-CE1 3.59Å; E20-H86 IonicContact OE2-NE2 3.25Å; E20-H86 PolarHBondContact OE2-NE2 3.31Å; Q84-H86 PolarHBondContact O-N 3.29Å; Q84-H86 VanDerWaalsContact O-N 3.14Å; H86-A90 WeakPolarHBondContact O-CB 3.39Å; H86-A90 PolarHBondContact O-N 3.44Å |
| 87 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.5 | -45.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M55 V57 Q84 A89 A90 I91 | M55-A87 HydrophobicContact CE-CB 4.37Å; V57-A87 HydrophobicContact CB-CB 4.47Å; V57-A87 HydrophobicContact CG2-CB 3.87Å; Q84-A87 HydrophobicContact CB-CB 4.06Å; Q84-A87 WeakPolarHBondContact O-CA 3.31Å; Q84-A87 WeakPolarHBondContact O-CB 3.24Å; Q84-A87 PolarHBondContact O-N 3.44Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 3.06Å; A87-A90 PolarHBondContact O-N 3.36Å; A87-I91 PolarHBondContact O-N 3.01Å |
| 88 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V8 M55 T83 Q84 D85 A90 I91 A92 V98 | V8-A88 HydrophobicContact CB-CB 4.34Å; V8-A88 HydrophobicContact CG1-CB 3.87Å; M55-A88 HydrophobicContact CG-CB 3.81Å; T83-A88 HydrophobicContact CG2-CB 4.05Å; Q84-A88 PolarHBondContact O-N 3.2Å; D85-A88 PolarHBondContact O-N 3.4Å; A88-A90 PolarHBondContact O-N 3.04Å; A88-I91 PolarHBondContact O-N 3.08Å; A88-A92 WeakPolarHBondContact O-CB 3.33Å; A88-A92 PolarHBondContact O-N 2.83Å; A88-V98 HydrophobicContact CB-CG1 4.18Å |
| 89 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D10 I11 L13 A14 D85 A87 A92 K93 | D10-A89 VanDerWaalsContact O-CB 3.3Å; D10-A89 WeakPolarHBondContact O-CB 3.49Å; I11-A89 HydrophobicContact CD1-CB 4.43Å; I11-A89 WeakPolarHBondContact CD1-O 3.32Å; L13-A89 HydrophobicContact CB-CB 4.03Å; A14-A89 HydrophobicContact CB-CB 4.13Å; A14-A89 WeakPolarHBondContact CB-O 3.49Å; D85-A89 VanDerWaalsContact O-CB 3.3Å; D85-A89 WeakPolarHBondContact O-CB 3.48Å; D85-A89 PolarHBondContact O-N 3.04Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 3.06Å; A89-A92 PolarHBondContact O-N 3.07Å; A89-K93 WeakPolarHBondContact O-CB 3.43Å; A89-K93 PolarHBondContact O-N 3.12Å |
| 90 | A | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 3% | 0.025 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I21 H86 A87 A88 T94 | I21-A90 HydrophobicContact CD1-CB 3.63Å; H86-A90 WeakPolarHBondContact O-CB 3.39Å; H86-A90 PolarHBondContact O-N 3.44Å; A87-A90 PolarHBondContact O-N 3.36Å; A88-A90 PolarHBondContact O-N 3.04Å; A90-T94 WeakPolarHBondContact O-CG2 3.27Å |
| 91 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -70 | -46.7 | 174.4 | -66 | -59.1 | 0 | 0 | 0 | 111.1 | M55 A60 I63 E64 A87 A88 K93 T94 V96 V98 | M55-I91 HydrophobicContact CE-CG1 3.98Å; A60-I91 HydrophobicContact CB-CD1 3.63Å; A60-I91 HydrophobicContact CB-CG1 3.55Å; I63-I91 HydrophobicContact CB-CD1 4.39Å; I63-I91 HydrophobicContact CD1-CG1 4.37Å; I63-I91 HydrophobicContact CD1-CG2 4.28Å; I63-I91 HydrophobicContact CG2-CD1 4.24Å; I63-I91 HydrophobicContact CG2-CG2 3.99Å; E64-I91 HydrophobicContact CG-CD1 3.79Å; A87-I91 PolarHBondContact O-N 3.01Å; A88-I91 PolarHBondContact O-N 3.08Å; I91-K93 PolarHBondContact O-N 3.29Å; I91-T94 WeakPolarHBondContact O-CB 3.03Å; I91-T94 PolarHBondContact O-N 2.81Å; I91-T94 PolarHBondContact O-OG1 2.96Å; I91-V96 HydrophobicContact CG2-CB 3.69Å; I91-V96 HydrophobicContact CG2-CG1 3.76Å; I91-V98 HydrophobicContact CB-CG2 3.95Å; I91-V98 HydrophobicContact CG2-CG2 3.31Å |
| 92 | A | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 3% | 0.033 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.4 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F6 V8 I11 A88 A89 T94 G95 | F6-A92 HydrophobicContact CB-CB 4.12Å; F6-A92 HydrophobicContact CD1-CB 4.22Å; F6-A92 HydrophobicContact CD2-CB 3.92Å; F6-A92 HydrophobicContact CE2-CB 4.39Å; F6-A92 HydrophobicContact CG-CB 3.84Å; V8-A92 HydrophobicContact CG1-CB 4.08Å; I11-A92 HydrophobicContact CD1-CB 3.74Å; A88-A92 WeakPolarHBondContact O-CB 3.33Å; A88-A92 PolarHBondContact O-N 2.83Å; A89-A92 PolarHBondContact O-N 3.07Å; A92-T94 PolarHBondContact O-N 3.44Å; A92-G95 PolarHBondContact O-N 3.42Å |
| 93 | K | 98.5 | Very high | 98.4 | Very high | 127 Ų | 127 | 24 Ų | 24 | 55% | 0.552 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.7 | 176.7 | -170.4 | 169.7 | -179.8 | 178 | 0 | 113.9 | I11 A14 D15 A89 I91 G95 | I11-K93 HydrophobicContact CD1-CB 4.43Å; A14-K93 HydrophobicContact CB-CB 3.82Å; A14-K93 HydrophobicContact CB-CD 3.35Å; A14-K93 HydrophobicContact CB-CG 4.23Å; D15-K93 IonicContact OD1-NZ 2.68Å; D15-K93 PolarHBondContact OD1-NZ 2.93Å; D15-K93 IonicContact OD2-NZ 2.89Å; A89-K93 WeakPolarHBondContact O-CB 3.43Å; A89-K93 PolarHBondContact O-N 3.12Å; I91-K93 PolarHBondContact O-N 3.29Å; K93-G95 VanDerWaalsContact C-N 3.27Å |
| 94 | T | 98.4 | Very high | 98.3 | Very high | 65 Ų | 65 | 24.2 Ų | 24.2 | 40% | 0.399 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -15.5 | 172.6 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | A90 I91 A92 V96 | A90-T94 WeakPolarHBondContact O-CG2 3.27Å; I91-T94 WeakPolarHBondContact O-CB 3.03Å; I91-T94 PolarHBondContact O-N 2.81Å; I91-T94 PolarHBondContact O-OG1 2.96Å; A92-T94 PolarHBondContact O-N 3.44Å; T94-V96 WeakPolarHBondContact OG1-CG2 3.37Å; T94-V96 PolarHBondContact OG1-N 3.32Å |
| 95 | G | 97.9 | Very high | 98.3 | Very high | 62 Ų | 62 | 26.9 Ų | 26.9 | 64% | 0.639 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 97.1 | -3.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A92 K93 P97 | A92-G95 PolarHBondContact O-N 3.42Å; K93-G95 VanDerWaalsContact C-N 3.27Å; G95-P97 WeakPolarHBondContact O-CD 3.33Å |
| 96 | V | 98.7 | Very high | 98 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | trans | -71.2 | 123.5 | 169.6 | 174.6 | 0 | 0 | 0 | 0 | 109.5 | I63 V67 V73 I91 T94 V98 | I63-V96 HydrophobicContact CG2-CG1 3.9Å; I63-V96 HydrophobicContact CG2-CG2 4.36Å; V67-V96 HydrophobicContact CG2-CG2 3.93Å; V73-V96 HydrophobicContact CB-CG1 4.32Å; V73-V96 HydrophobicContact CG1-CG1 4.36Å; I91-V96 HydrophobicContact CG2-CB 3.69Å; I91-V96 HydrophobicContact CG2-CG1 3.76Å; T94-V96 WeakPolarHBondContact OG1-CG2 3.37Å; T94-V96 PolarHBondContact OG1-N 3.32Å; V96-V98 HydrophobicContact CG1-CG2 4.45Å; V96-V98 PolarHBondContact O-N 3.28Å | ||
| 97 | P | 98.7 | Very high | 97.9 | Very high | 15 Ų | 15 | 37.2 Ų | 37.2 | 10% | 0.097 | 21% | 0.21 | C | C | . | . | trans | -63.7 | 119.8 | 175.9 | -25.7 | 37.4 | 0 | 0 | 0 | 112.3 | P5 V73 Q74 W75 G95 Y99 P120 | P5-P97 WeakPolarHBondContact O-CA 3.44Å; P5-P97 VanDerWaalsContact O-CB 3.28Å; P5-P97 WeakPolarHBondContact O-CB 3.42Å; V73-P97 WeakPolarHBondContact O-CD 3.32Å; Q74-P97 WeakPolarHBondContact CA-O 3.26Å; Q74-P97 HydrophobicContact CB-CB 4.28Å; Q74-P97 HydrophobicContact CG-CB 3.97Å; Q74-P97 HydrophobicContact CG-CG 3.96Å; W75-P97 PolarHBondContact N-O 3.2Å; G95-P97 WeakPolarHBondContact O-CD 3.33Å; P97-Y99 HydrophobicContact CB-CE2 3.89Å; P97-P120 HydrophobicContact CG-CG 4.47Å | ||
| 98 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.9 | 175.1 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | F6 K7 V8 M55 W75 A88 I91 V96 A100 | F6-V98 CarbonylContact C-O 3.52Å; F6-V98 WeakPolarHBondContact CA-O 3.4Å; F6-V98 VanDerWaalsContact CB-O 3.3Å; F6-V98 WeakPolarHBondContact CB-O 3.18Å; K7-V98 PolarHBondContact N-O 2.83Å; V8-V98 HydrophobicContact CG1-CB 4.38Å; V8-V98 HydrophobicContact CG1-CG1 4.18Å; M55-V98 HydrophobicContact CG-CG1 4.08Å; M55-V98 HydrophobicContact SD-CG1 3.93Å; M55-V98 HydrophobicContact SD-CG2 4.44Å; W75-V98 HydrophobicContact CB-CG2 4.18Å; W75-V98 WeakPolarHBondContact O-CA 3.27Å; A88-V98 HydrophobicContact CB-CG1 4.18Å; I91-V98 HydrophobicContact CB-CG2 3.95Å; I91-V98 HydrophobicContact CG2-CG2 3.31Å; V96-V98 HydrophobicContact CG1-CG2 4.45Å; V96-V98 PolarHBondContact O-N 3.28Å; V98-A100 HydrophobicContact CG1-CB 4.01Å |
| 99 | Y | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 85 | 176 | -51.4 | -83.1 | 0 | 0 | 0 | 107.2 | K3 P4 P5 K7 W75 S76 P97 W111 C112 Q115 T116 | K3-Y99 WeakPolarHBondContact CE-OH 3.36Å; P4-Y99 HydrophobicContact CG-CE1 4.1Å; P4-Y99 WeakPolarHBondContact O-CE1 3.32Å; P4-Y99 PolarHBondContact O-OH 2.88Å; P5-Y99 PolarHBondContact O-OH 3.31Å; K7-Y99 HydrophobicContact CB-CD1 4.05Å; K7-Y99 WeakPolarHBondContact O-CA 3.24Å; W75-Y99 PolarHBondContact O-N 3.48Å; S76-Y99 WeakPolarHBondContact CA-O 3.45Å; P97-Y99 HydrophobicContact CB-CE2 3.89Å; Y99-W111 AromaticContact CD1-CH2 3.99Å; Y99-W111 HydrophobicContact CD1-CH2 3.99Å; Y99-W111 HydrophobicContact CD1-CZ3 4.08Å; Y99-C112 VanDerWaalsContact O-CB 3.27Å; Y99-C112 WeakPolarHBondContact O-CB 3.16Å; Y99-C112 PolarHBondContact O-SG 2.93Å; Y99-Q115 HydrophobicContact CD1-CB 3.75Å; Y99-Q115 HydrophobicContact CD1-CG 3.78Å; Y99-Q115 HydrophobicContact CD2-CB 3.41Å; Y99-Q115 VanDerWaalsContact CD2-CB 3.41Å; Y99-Q115 HydrophobicContact CD2-CG 4.33Å; Y99-Q115 HydrophobicContact CE1-CB 3.8Å; Y99-Q115 HydrophobicContact CE1-CG 3.96Å; Y99-Q115 HydrophobicContact CE2-CB 3.45Å; Y99-Q115 VanDerWaalsContact CE2-CB 3.45Å; Y99-Q115 HydrophobicContact CE2-CG 4.48Å; Y99-Q115 HydrophobicContact CG-CB 3.55Å; Y99-Q115 HydrophobicContact CG-CG 3.97Å; Y99-T116 HydrophobicContact CD2-CG2 4.35Å |
| 100 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -162.4 | 137.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K7 M55 T83 V98 E104 | K7-A100 PolarHBondContact O-N 3.03Å; M55-A100 HydrophobicContact CB-CB 3.79Å; M55-A100 HydrophobicContact CG-CB 3.94Å; T83-A100 HydrophobicContact CG2-CB 4.02Å; V98-A100 HydrophobicContact CG1-CB 4.01Å; A100-E104 VanDerWaalsContact CA-OE1 3.22Å; A100-E104 WeakPolarHBondContact CA-OE1 3.4Å | ||
| 101 | W | 98.7 | Very high | 97.8 | Very high | 27 Ų | 27 | 46.7 Ų | 46.7 | 10% | 0.102 | 25% | 0.254 | C | S | . | . | trans | -150.8 | 161.7 | 166.7 | 56 | 94.1 | 0 | 0 | 0 | 111.5 | K7 A9 T83 D85 E104 E108 W111 C112 | K7-W101 HydrophobicContact CB-CZ3 4.05Å; K7-W101 HydrophobicContact CD-CE3 4.46Å; K7-W101 HydrophobicContact CD-CH2 3.6Å; K7-W101 HydrophobicContact CD-CZ3 3.52Å; K7-W101 VanDerWaalsContact CE-CH2 3.48Å; K7-W101 HydrophobicContact CG-CE3 4.18Å; K7-W101 HydrophobicContact CG-CH2 4.21Å; K7-W101 HydrophobicContact CG-CZ3 3.61Å; K7-W101 VanDerWaalsContact NZ-CH2 3.29Å; A9-W101 HydrophobicContact CB-CB 3.83Å; T83-W101 VanDerWaalsContact CB-C 3.44Å; T83-W101 PolarHBondContact OG1-O 3.36Å; D85-W101 VanDerWaalsContact OD1-CA 3.25Å; D85-W101 WeakPolarHBondContact OD1-CA 3.5Å; W101-E104 HydrophobicContact CD2-CG 3.84Å; W101-E104 HydrophobicContact CE3-CG 4.46Å; W101-E104 HydrophobicContact CG-CG 4.08Å; W101-E104 HydrophobicContact CH2-CG 4.41Å; W101-E104 HydrophobicContact CZ2-CG 3.87Å; W101-E104 PolarHBondContact N-OE1 2.98Å; W101-E104 WeakPolarHBondContact O-CG 3.2Å; W101-E104 VanDerWaalsContact O-OE1 3.08Å; W101-E108 HydrophobicContact CH2-CB 4.08Å; W101-E108 HydrophobicContact CH2-CG 4.38Å; W101-E108 HydrophobicContact CZ2-CB 3.71Å; W101-E108 VanDerWaalsContact CZ2-CD 3.49Å; W101-E108 HydrophobicContact CZ2-CG 3.88Å; W101-E108 WeakPolarHBondContact CZ2-OE1 3.45Å; W101-W111 HydrophobicContact CH2-CZ3 4.41Å; W101-W111 HydrophobicContact CZ3-CZ3 4.47Å; W101-C112 VanDerWaalsContact CZ3-SG 3.57Å | ||
| 102 | K | 96.7 | Very high | 97.8 | Very high | 75 Ų | 75 | 46.7 Ų | 46.7 | 33% | 0.326 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 129.9 | 175.5 | -164.7 | 175.1 | 175.4 | 88.9 | 0 | 109.9 | F81 T83 D85 G348 | F81-K102 PolarHBondContact O-NZ 2.9Å; T83-K102 WeakPolarHBondContact O-CB 3.09Å; D85-K102 PolarHBondContact OD1-N 3.38Å; K102-G348 PolarHBondContact NZ-O 2.79Å |
| 103 | G | 94.7 | Very high | 97.8 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 34.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I80 | I80-G103 WeakPolarHBondContact O-CA 3.33Å; I80-G103 PolarHBondContact O-N 3.25Å |
| 104 | E | 97.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.023 | 24% | 0.242 | C | C | . | . | trans | -59.3 | 146.2 | 168.4 | -73.8 | 161.7 | -151.3 | 0 | 0 | 111.3 | I80 A100 W101 E108 Y109 | I80-E104 HydrophobicContact CB-CB 4.04Å; I80-E104 WeakPolarHBondContact CB-O 3.37Å; I80-E104 HydrophobicContact CG2-CB 4.01Å; I80-E104 PolarHBondContact O-N 2.99Å; A100-E104 VanDerWaalsContact CA-OE1 3.22Å; A100-E104 WeakPolarHBondContact CA-OE1 3.4Å; W101-E104 HydrophobicContact CD2-CG 3.84Å; W101-E104 HydrophobicContact CE3-CG 4.46Å; W101-E104 HydrophobicContact CG-CG 4.08Å; W101-E104 HydrophobicContact CH2-CG 4.41Å; W101-E104 HydrophobicContact CZ2-CG 3.87Å; W101-E104 PolarHBondContact N-OE1 2.98Å; W101-E104 WeakPolarHBondContact O-CG 3.2Å; W101-E104 VanDerWaalsContact O-OE1 3.08Å; E104-E108 HydrophobicContact CB-CB 4.36Å; E104-Y109 WeakPolarHBondContact OE2-CA 3.21Å | ||
| 105 | T | 96.6 | Very high | 97.8 | Very high | 74 Ų | 74 | 42.1 Ų | 42.1 | 45% | 0.454 | 23% | 0.229 | S | C | . | . | trans | -76.8 | 161.4 | 160.4 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | E107 E108 Y109 | T105-E107 PolarHBondContact O-N 3.28Å; T105-E108 PolarHBondContact N-OE2 2.9Å; T105-E108 PolarHBondContact O-N 3.2Å; T105-E108 VanDerWaalsContact O-N 3.09Å; T105-E108 WeakPolarHBondContact OG1-CB 3.28Å; T105-E108 WeakPolarHBondContact OG1-CG 3.45Å; T105-E108 PolarHBondContact OG1-N 2.85Å; T105-E108 PolarHBondContact OG1-OE2 2.81Å; T105-Y109 WeakPolarHBondContact O-CB 3.49Å; T105-Y109 PolarHBondContact O-N 3.23Å | ||
| 106 | E | 93.7 | Very high | 97.8 | Very high | 102 Ų | 102 | 39.1 Ų | 39.1 | 48% | 0.477 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.2 | -33.2 | 176.7 | -62.8 | -64.8 | 163 | 0 | 0 | 113 | T110 R343 | E106-T110 PolarHBondContact O-N 2.98Å; E106-T110 PolarHBondContact O-OG1 3.04Å; E106-T110 VanDerWaalsContact O-OG1 3.12Å; E106-R343 IonicContact OE1-CZ 3.16Å; E106-R343 IonicContact OE1-NH2 2.65Å; E106-R343 PolarHBondContact OE1-NH2 2.95Å |
| 107 | E | 97.3 | Very high | 97.8 | Very high | 166 Ų | 166 | 38.7 Ų | 38.7 | 78% | 0.776 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -67.7 | -44.2 | 174.5 | -174.5 | 179.5 | 174.8 | 0 | 0 | 111.1 | T105 T110 W111 | T105-E107 PolarHBondContact O-N 3.28Å; E107-T110 PolarHBondContact O-N 3.25Å; E107-W111 WeakPolarHBondContact O-CB 3.26Å; E107-W111 PolarHBondContact O-N 3.2Å |
| 108 | E | 98.4 | Very high | 97.8 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 28% | 0.276 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.9 | -37.4 | 177.3 | -72 | 170 | 131.9 | 0 | 0 | 112.5 | K7 W101 E104 T105 W111 C112 | K7-E108 IonicContact NZ-OE1 2.97Å; W101-E108 HydrophobicContact CH2-CB 4.08Å; W101-E108 HydrophobicContact CH2-CG 4.38Å; W101-E108 HydrophobicContact CZ2-CB 3.71Å; W101-E108 VanDerWaalsContact CZ2-CD 3.49Å; W101-E108 HydrophobicContact CZ2-CG 3.88Å; W101-E108 WeakPolarHBondContact CZ2-OE1 3.45Å; E104-E108 HydrophobicContact CB-CB 4.36Å; T105-E108 PolarHBondContact N-OE2 2.9Å; T105-E108 PolarHBondContact O-N 3.2Å; T105-E108 VanDerWaalsContact O-N 3.09Å; T105-E108 WeakPolarHBondContact OG1-CB 3.28Å; T105-E108 WeakPolarHBondContact OG1-CG 3.45Å; T105-E108 PolarHBondContact OG1-N 2.85Å; T105-E108 PolarHBondContact OG1-OE2 2.81Å; E108-W111 PolarHBondContact O-N 2.68Å; E108-C112 WeakPolarHBondContact O-CB 3.49Å; E108-C112 PolarHBondContact O-N 3.42Å; E108-C112 PolarHBondContact O-SG 3.04Å |
| 109 | Y | 97.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 7% | 0.071 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57 | -53.7 | 174.2 | 174.6 | -108.3 | 0 | 0 | 0 | 111.4 | S77 C78 I80 E104 T105 W111 C112 I113 D134 | S77-Y109 WeakPolarHBondContact O-CE2 3.08Å; C78-Y109 WeakPolarHBondContact CA-OH 3.47Å; C78-Y109 PolarHBondContact O-OH 2.74Å; I80-Y109 HydrophobicContact CG2-CD2 4.06Å; I80-Y109 HydrophobicContact CG2-CG 4.04Å; E104-Y109 WeakPolarHBondContact OE2-CA 3.21Å; T105-Y109 WeakPolarHBondContact O-CB 3.49Å; T105-Y109 PolarHBondContact O-N 3.23Å; Y109-W111 VanDerWaalsContact C-N 3.31Å; Y109-W111 PolarHBondContact O-N 3.19Å; Y109-C112 WeakPolarHBondContact O-CB 3.34Å; Y109-C112 PolarHBondContact O-N 3.06Å; Y109-C112 VanDerWaalsContact O-N 3.15Å; Y109-I113 HydrophobicContact CD1-CD1 4.38Å; Y109-I113 HydrophobicContact CE1-CD1 3.79Å; Y109-I113 HydrophobicContact CE2-CD1 4.28Å; Y109-I113 PolarHBondContact O-N 2.95Å; Y109-D134 WeakPolarHBondContact CE1-OD2 3.45Å; Y109-D134 PolarHBondContact OH-OD2 3.07Å |
| 110 | T | 97.6 | Very high | 97.5 | Very high | 50 Ų | 50 | 46.2 Ų | 46.2 | 31% | 0.307 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60 | -44.3 | 177.3 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | E106 E107 C112 I113 E114 L138 | E106-T110 PolarHBondContact O-N 2.98Å; E106-T110 PolarHBondContact O-OG1 3.04Å; E106-T110 VanDerWaalsContact O-OG1 3.12Å; E107-T110 PolarHBondContact O-N 3.25Å; T110-C112 VanDerWaalsContact C-N 3.29Å; T110-C112 PolarHBondContact O-N 3Å; T110-I113 PolarHBondContact O-N 2.96Å; T110-E114 WeakPolarHBondContact O-CG 3.28Å; T110-E114 PolarHBondContact O-N 3.16Å; T110-E114 VanDerWaalsContact O-N 3.15Å; T110-L138 HydrophobicContact CG2-CD1 4.41Å |
| 111 | W | 98.2 | Very high | 97.3 | Very high | 76 Ų | 76 | 51 Ų | 51 | 29% | 0.288 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.6 | -39.3 | 177.5 | 175.5 | 86.4 | 0 | 0 | 0 | 112.3 | P4 K7 Y99 W101 E107 E108 Y109 E114 Q115 | P4-W111 HydrophobicContact CG-CH2 3.83Å; P4-W111 HydrophobicContact CG-CZ2 3.96Å; K7-W111 HydrophobicContact CB-CH2 4.07Å; K7-W111 HydrophobicContact CB-CZ3 4.08Å; K7-W111 HydrophobicContact CD-CE3 4.5Å; K7-W111 HydrophobicContact CD-CH2 3.67Å; K7-W111 HydrophobicContact CD-CZ3 3.54Å; K7-W111 HydrophobicContact CG-CH2 4.5Å; K7-W111 HydrophobicContact CG-CZ3 4.41Å; Y99-W111 AromaticContact CD1-CH2 3.99Å; Y99-W111 HydrophobicContact CD1-CH2 3.99Å; Y99-W111 HydrophobicContact CD1-CZ3 4.08Å; W101-W111 HydrophobicContact CH2-CZ3 4.41Å; W101-W111 HydrophobicContact CZ3-CZ3 4.47Å; E107-W111 WeakPolarHBondContact O-CB 3.26Å; E107-W111 PolarHBondContact O-N 3.2Å; E108-W111 PolarHBondContact O-N 2.68Å; Y109-W111 VanDerWaalsContact C-N 3.31Å; Y109-W111 PolarHBondContact O-N 3.19Å; W111-E114 PolarHBondContact O-N 2.89Å; W111-Q115 HydrophobicContact CD2-CG 4Å; W111-Q115 HydrophobicContact CE3-CG 4.06Å; W111-Q115 HydrophobicContact CH2-CG 3.67Å; W111-Q115 HydrophobicContact CZ2-CG 3.6Å; W111-Q115 HydrophobicContact CZ3-CG 3.89Å; W111-Q115 VanDerWaalsContact O-CG 3.29Å; W111-Q115 WeakPolarHBondContact O-CG 3.14Å; W111-Q115 PolarHBondContact O-N 3.41Å; W111-Q115 VanDerWaalsContact O-N 3.13Å; W111-Q115 PolarHBondContact O-NE2 3.03Å |
| 112 | C | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 178.5 | -73.8 | 0 | 0 | 0 | 0 | 111.9 | Y99 W101 E108 Y109 T110 E114 Q115 | Y99-C112 VanDerWaalsContact O-CB 3.27Å; Y99-C112 WeakPolarHBondContact O-CB 3.16Å; Y99-C112 PolarHBondContact O-SG 2.93Å; W101-C112 VanDerWaalsContact CZ3-SG 3.57Å; E108-C112 WeakPolarHBondContact O-CB 3.49Å; E108-C112 PolarHBondContact O-N 3.42Å; E108-C112 PolarHBondContact O-SG 3.04Å; Y109-C112 WeakPolarHBondContact O-CB 3.34Å; Y109-C112 PolarHBondContact O-N 3.06Å; Y109-C112 VanDerWaalsContact O-N 3.15Å; T110-C112 VanDerWaalsContact C-N 3.29Å; T110-C112 PolarHBondContact O-N 3Å; C112-E114 VanDerWaalsContact C-N 3.35Å; C112-E114 PolarHBondContact O-N 3.34Å; C112-Q115 WeakPolarHBondContact O-CB 3.36Å; C112-Q115 PolarHBondContact O-N 3.39Å |
| 113 | I | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 176.4 | -58.9 | 173.1 | 0 | 0 | 0 | 110.1 | Y109 T110 Q115 T116 D134 L135 L138 | Y109-I113 HydrophobicContact CD1-CD1 4.38Å; Y109-I113 HydrophobicContact CE1-CD1 3.79Å; Y109-I113 HydrophobicContact CE2-CD1 4.28Å; Y109-I113 PolarHBondContact O-N 2.95Å; T110-I113 PolarHBondContact O-N 2.96Å; I113-Q115 PolarHBondContact O-N 3.27Å; I113-T116 WeakPolarHBondContact O-CB 3.45Å; I113-T116 PolarHBondContact O-N 3.2Å; I113-T116 PolarHBondContact O-OG1 3.22Å; I113-D134 HydrophobicContact CD1-CB 4.11Å; I113-L135 HydrophobicContact CG2-CB 4.18Å; I113-L135 HydrophobicContact CG2-CD1 3.74Å; I113-L138 HydrophobicContact CB-CD1 4.32Å; I113-L138 HydrophobicContact CG2-CD1 4Å; I113-L138 HydrophobicContact CG2-CD2 4.42Å |
| 114 | E | 98.1 | Very high | 97.4 | Very high | 69 Ų | 69 | 52.3 Ų | 52.3 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.7 | -31.8 | 178.7 | -70.7 | 178.9 | 172 | 0 | 0 | 112.7 | T110 W111 C112 T116 L117 L138 | T110-E114 WeakPolarHBondContact O-CG 3.28Å; T110-E114 PolarHBondContact O-N 3.16Å; T110-E114 VanDerWaalsContact O-N 3.15Å; W111-E114 PolarHBondContact O-N 2.89Å; C112-E114 VanDerWaalsContact C-N 3.35Å; C112-E114 PolarHBondContact O-N 3.34Å; E114-T116 PolarHBondContact O-N 2.85Å; E114-L117 PolarHBondContact O-N 3.28Å; E114-L138 HydrophobicContact CG-CD1 3.96Å; E114-L138 HydrophobicContact CG-CD2 4.48Å |
| 115 | Q | 98.4 | Very high | 97.4 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 12% | 0.121 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.5 | -19.3 | 177 | -60.7 | -34.1 | -76 | 0 | 0 | 112.9 | K3 Y99 W111 C112 I113 L117 | K3-Q115 WeakPolarHBondContact CE-O 3.39Å; K3-Q115 PolarHBondContact NZ-O 3.5Å; Y99-Q115 HydrophobicContact CD1-CB 3.75Å; Y99-Q115 HydrophobicContact CD1-CG 3.78Å; Y99-Q115 HydrophobicContact CD2-CB 3.41Å; Y99-Q115 VanDerWaalsContact CD2-CB 3.41Å; Y99-Q115 HydrophobicContact CD2-CG 4.33Å; Y99-Q115 HydrophobicContact CE1-CB 3.8Å; Y99-Q115 HydrophobicContact CE1-CG 3.96Å; Y99-Q115 HydrophobicContact CE2-CB 3.45Å; Y99-Q115 VanDerWaalsContact CE2-CB 3.45Å; Y99-Q115 HydrophobicContact CE2-CG 4.48Å; Y99-Q115 HydrophobicContact CG-CB 3.55Å; Y99-Q115 HydrophobicContact CG-CG 3.97Å; W111-Q115 HydrophobicContact CD2-CG 4Å; W111-Q115 HydrophobicContact CE3-CG 4.06Å; W111-Q115 HydrophobicContact CH2-CG 3.67Å; W111-Q115 HydrophobicContact CZ2-CG 3.6Å; W111-Q115 HydrophobicContact CZ3-CG 3.89Å; W111-Q115 VanDerWaalsContact O-CG 3.29Å; W111-Q115 WeakPolarHBondContact O-CG 3.14Å; W111-Q115 PolarHBondContact O-N 3.41Å; W111-Q115 VanDerWaalsContact O-N 3.13Å; W111-Q115 PolarHBondContact O-NE2 3.03Å; C112-Q115 WeakPolarHBondContact O-CB 3.36Å; C112-Q115 PolarHBondContact O-N 3.39Å; I113-Q115 PolarHBondContact O-N 3.27Å; Q115-L117 VanDerWaalsContact C-N 3.35Å |
| 116 | T | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -10.4 | -177.9 | 70.8 | 0 | 0 | 0 | 0 | 114 | Q74 Y99 I113 E114 | Q74-T116 HydrophobicContact CB-CG2 4.47Å; Q74-T116 PolarHBondContact NE2-O 3.3Å; Y99-T116 HydrophobicContact CD2-CG2 4.35Å; I113-T116 WeakPolarHBondContact O-CB 3.45Å; I113-T116 PolarHBondContact O-N 3.2Å; I113-T116 PolarHBondContact O-OG1 3.22Å; E114-T116 PolarHBondContact O-N 2.85Å |
| 117 | L | 98.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -76.1 | -37.7 | -168.3 | -57.3 | -177 | 0 | 0 | 0 | 114.6 | E114 Q115 P124 L125 L135 L138 V139 H143 Y146 | E114-L117 PolarHBondContact O-N 3.28Å; Q115-L117 VanDerWaalsContact C-N 3.35Å; L117-P124 CarbonylContact O-C 3.55Å; L117-P124 WeakPolarHBondContact O-CA 3.31Å; L117-L125 HydrophobicContact CB-CD2 4.25Å; L117-L125 HydrophobicContact CD2-CD1 4.27Å; L117-L125 HydrophobicContact CD2-CD2 4.1Å; L117-L125 WeakPolarHBondContact O-CD2 3.08Å; L117-L125 PolarHBondContact O-N 3.45Å; L117-L135 HydrophobicContact CD2-CD1 3.65Å; L117-L138 HydrophobicContact CD1-CD2 3.74Å; L117-L138 HydrophobicContact CD2-CD2 4.25Å; L117-L138 HydrophobicContact CG-CD2 4.47Å; L117-V139 HydrophobicContact CD2-CG2 3.82Å; L117-H143 WeakPolarHBondContact CD1-CD2 3.32Å; L117-Y146 HydrophobicContact CB-CE2 4.18Å; L117-Y146 HydrophobicContact CD1-CE2 4.17Å |
| 118 | I | 98.2 | Very high | 97.9 | Very high | 55 Ų | 55 | 36.3 Ų | 36.3 | 28% | 0.282 | 20% | 0.203 | S | C | . | . | B | Isolated β-bridge | trans | -109.6 | 126.6 | -177.9 | -59.1 | -55.1 | 0 | 0 | 0 | 109.8 | K3 Q74 P124 Y146 | K3-I118 PolarHBondContact NZ-O 2.82Å; Q74-I118 PolarHBondContact NE2-O 2.99Å; Q74-I118 PolarHBondContact OE1-O 3.11Å; I118-P124 HydrophobicContact CD1-CB 3.91Å; I118-Y146 HydrophobicContact CD1-CE1 3.95Å; I118-Y146 HydrophobicContact CD1-CE2 4.22Å; I118-Y146 WeakPolarHBondContact CD1-OH 3.48Å |
| 119 | F | 98 | Very high | 97.9 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | trans | -82.5 | 164.2 | -178.3 | -80.6 | -110 | 0 | 0 | 0 | 111.9 | R48 S72 Q74 D121 G122 L123 L125 | R48-F119 HydrophobicContact CB-CD1 3.98Å; R48-F119 HydrophobicContact CB-CD2 3.8Å; R48-F119 HydrophobicContact CB-CE1 3.8Å; R48-F119 HydrophobicContact CB-CE2 3.63Å; R48-F119 HydrophobicContact CB-CG 3.99Å; R48-F119 HydrophobicContact CB-CZ 3.63Å; R48-F119 HydrophobicContact CG-CD1 3.95Å; R48-F119 HydrophobicContact CG-CD2 4.3Å; R48-F119 HydrophobicContact CG-CE1 4.19Å; R48-F119 HydrophobicContact CG-CG 4.03Å; R48-F119 HydrophobicContact CG-CZ 4.49Å; S72-F119 WeakPolarHBondContact O-CE1 3.39Å; Q74-F119 HydrophobicContact CB-CZ 4.31Å; Q74-F119 HydrophobicContact CG-CD1 4.03Å; Q74-F119 HydrophobicContact CG-CE1 3.73Å; Q74-F119 HydrophobicContact CG-CE2 4.29Å; Q74-F119 HydrophobicContact CG-CG 4.43Å; Q74-F119 HydrophobicContact CG-CZ 3.85Å; F119-D121 VanDerWaalsContact CB-OD1 3.28Å; F119-D121 WeakPolarHBondContact CB-OD1 3.3Å; F119-D121 PolarHBondContact O-N 3.29Å; F119-D121 VanDerWaalsContact O-N 3.1Å; F119-G122 WeakPolarHBondContact O-CA 3.37Å; F119-G122 PolarHBondContact O-N 2.89Å; F119-L123 WeakPolarHBondContact CB-O 3.29Å; F119-L123 PolarHBondContact N-O 2.83Å; F119-L125 HydrophobicContact CE2-CB 3.98Å | ||
| 120 | P | 94.3 | Very high | 97.9 | Very high | 112 Ų | 112 | 32.6 Ų | 32.6 | 73% | 0.727 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.2 | -177.6 | -26.5 | 36.6 | 0 | 0 | 0 | 115 | P97 G122 | P97-P120 HydrophobicContact CG-CG 4.47Å; P120-G122 PolarHBondContact O-N 2.78Å |
| 121 | D | 93.9 | Very high | 97.9 | Very high | 99 Ų | 99 | 31.1 Ų | 31.1 | 53% | 0.529 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -1.5 | 173.4 | 63 | -1.7 | 0 | 0 | 0 | 113.6 | F119 L123 | F119-D121 VanDerWaalsContact CB-OD1 3.28Å; F119-D121 WeakPolarHBondContact CB-OD1 3.3Å; F119-D121 PolarHBondContact O-N 3.29Å; F119-D121 VanDerWaalsContact O-N 3.1Å; D121-L123 VanDerWaalsContact C-N 3.3Å; D121-L123 WeakPolarHBondContact OD1-CB 3.46Å; D121-L123 PolarHBondContact OD1-N 3.13Å |
| 122 | G | 95.9 | Very high | 97.6 | Very high | 52 Ų | 52 | 28 Ų | 28 | 54% | 0.536 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 83.4 | -0.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F119 P120 | F119-G122 WeakPolarHBondContact O-CA 3.37Å; F119-G122 PolarHBondContact O-N 2.89Å; P120-G122 PolarHBondContact O-N 2.78Å |
| 123 | L | 97.7 | Very high | 97.5 | Very high | 83 Ų | 83 | 28.1 Ų | 28.1 | 44% | 0.435 | 17% | 0.169 | S | C | . | . | P | Polyproline II helix | trans | -85.7 | 145.3 | 177.9 | -62.4 | 178.9 | 0 | 0 | 0 | 111.1 | F119 D121 | F119-L123 WeakPolarHBondContact CB-O 3.29Å; F119-L123 PolarHBondContact N-O 2.83Å; D121-L123 VanDerWaalsContact C-N 3.3Å; D121-L123 WeakPolarHBondContact OD1-CB 3.46Å; D121-L123 PolarHBondContact OD1-N 3.13Å |
| 124 | P | 98.4 | Very high | 97.4 | Very high | 37 Ų | 37 | 30.1 Ų | 30.1 | 24% | 0.24 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -72.5 | 160.8 | 175 | 31.7 | -35.5 | 0 | 0 | 0 | 111.4 | R48 L117 I118 Y146 | R48-P124 VanDerWaalsContact CZ-O 3.32Å; R48-P124 PolarHBondContact NE-O 3.14Å; R48-P124 PolarHBondContact NH2-O 2.76Å; L117-P124 CarbonylContact O-C 3.55Å; L117-P124 WeakPolarHBondContact O-CA 3.31Å; I118-P124 HydrophobicContact CD1-CB 3.91Å; P124-Y146 HydrophobicContact CB-CD1 3.47Å; P124-Y146 VanDerWaalsContact CB-CD1 3.47Å; P124-Y146 HydrophobicContact CB-CE1 3.81Å; P124-Y146 HydrophobicContact CB-CG 3.91Å; P124-Y146 HydrophobicContact CG-CD1 4.02Å; P124-Y146 HydrophobicContact CG-CE1 4.46Å |
| 125 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -47.8 | 148.6 | 167.8 | 76.1 | 166.4 | 0 | 0 | 0 | 111.7 | R48 A50 L117 F119 V128 V139 Y146 I150 | R48-L125 WeakPolarHBondContact O-CA 3.23Å; A50-L125 HydrophobicContact CB-CB 3.97Å; A50-L125 HydrophobicContact CB-CD1 3.58Å; A50-L125 HydrophobicContact CB-CG 4.42Å; L117-L125 HydrophobicContact CB-CD2 4.25Å; L117-L125 HydrophobicContact CD2-CD1 4.27Å; L117-L125 HydrophobicContact CD2-CD2 4.1Å; L117-L125 WeakPolarHBondContact O-CD2 3.08Å; L117-L125 PolarHBondContact O-N 3.45Å; F119-L125 HydrophobicContact CE2-CB 3.98Å; L125-V128 HydrophobicContact CD1-CG2 3.65Å; L125-V139 HydrophobicContact CD1-CG2 4.3Å; L125-Y146 HydrophobicContact CD2-CD2 3.97Å; L125-Y146 HydrophobicContact CD2-CG 4.21Å; L125-I150 HydrophobicContact CD1-CD1 4.1Å; L125-I150 HydrophobicContact CD2-CD1 4.33Å; L125-I150 HydrophobicContact CG-CD1 4.02Å; L125-I150 HydrophobicContact CG-CG1 4.17Å |
| 126 | N | 98.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -130.2 | 1.7 | 173.7 | 63.8 | 17.7 | 0 | 0 | 0 | 113.1 | G46 R48 G149 I150 K151 W373 | G46-N126 PolarHBondContact O-ND2 3.16Å; R48-N126 VanDerWaalsContact CZ-ND2 3.32Å; R48-N126 PolarHBondContact N-OD1 3.19Å; R48-N126 PolarHBondContact NH1-ND2 2.93Å; R48-N126 PolarHBondContact NH2-ND2 3.46Å; R48-N126 PolarHBondContact O-N 3.3Å; R48-N126 PolarHBondContact O-OD1 3.32Å; N126-G149 WeakPolarHBondContact CA-O 3.47Å; N126-G149 WeakPolarHBondContact CB-O 3.34Å; N126-I150 CarbonylContact O-C 3.47Å; N126-I150 WeakPolarHBondContact O-CA 3.45Å; N126-K151 PolarHBondContact O-N 3.47Å; N126-W373 HydrophobicContact CB-CZ3 4.29Å; N126-W373 VanDerWaalsContact ND2-CH2 3.34Å; N126-W373 WeakPolarHBondContact ND2-CH2 3.44Å; N126-W373 WeakPolarHBondContact ND2-CZ3 3.4Å |
| 127 | M | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 143.1 | 174.2 | -73 | -59.4 | -64.9 | 0 | 0 | 108.5 | A47 R48 I49 A50 K151 L372 W373 | A47-M127 HydrophobicContact CB-CG 4.35Å; R48-M127 PolarHBondContact O-N 3.28Å; I49-M127 WeakPolarHBondContact CA-O 3.22Å; I49-M127 HydrophobicContact CB-CB 4.41Å; I49-M127 HydrophobicContact CG1-CB 3.85Å; I49-M127 HydrophobicContact CG1-CG 4.49Å; A50-M127 PolarHBondContact N-O 3.42Å; A50-M127 VanDerWaalsContact N-O 3.09Å; M127-K151 HydrophobicContact SD-CB 3.77Å; M127-L372 HydrophobicContact CE-CB 3.77Å; M127-L372 HydrophobicContact CE-CD1 4.31Å; M127-W373 HydrophobicContact CG-CE3 3.74Å; M127-W373 HydrophobicContact CG-CZ3 4.31Å; M127-W373 HydrophobicContact SD-CB 4.49Å; M127-W373 HydrophobicContact SD-CE3 3.93Å |
| 128 | V | 98.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.1 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 108.5 | L125 D130 L135 I150 G152 V153 T154 Q369 | L125-V128 HydrophobicContact CD1-CG2 3.65Å; V128-D130 HydrophobicContact CG1-CB 3.96Å; V128-L135 HydrophobicContact CG1-CD2 3.85Å; V128-L135 HydrophobicContact CG1-CG 3.98Å; V128-I150 HydrophobicContact CG2-CD1 4.26Å; V128-I150 HydrophobicContact CG2-CG2 4.26Å; V128-G152 PolarHBondContact N-O 3.41Å; V128-V153 HydrophobicContact CB-CB 4.36Å; V128-V153 HydrophobicContact CB-CG1 4.45Å; V128-V153 HydrophobicContact CB-CG2 3.89Å; V128-V153 HydrophobicContact CG1-CB 4.5Å; V128-V153 HydrophobicContact CG1-CG1 4.07Å; V128-V153 HydrophobicContact CG1-CG2 4.16Å; V128-V153 HydrophobicContact CG2-CG2 4.37Å; V128-V153 WeakPolarHBondContact O-CA 3.07Å; V128-T154 PolarHBondContact O-N 2.84Å; V128-Q369 PolarHBondContact O-NE2 3.19Å |
| 129 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114.7 | 166.9 | -173 | 158.8 | 0 | 0 | 0 | 107.2 | I49 A50 G51 C52 L53 L62 L66 W75 Q365 Q369 | I49-L129 HydrophobicContact CG2-CB 3.91Å; A50-L129 PolarHBondContact O-N 3.47Å; G51-L129 WeakPolarHBondContact CA-O 3.45Å; C52-L129 PolarHBondContact N-O 2.97Å; L53-L129 HydrophobicContact CB-CD2 4.34Å; L53-L129 HydrophobicContact CD1-CD2 3.76Å; L62-L129 HydrophobicContact CD2-CD1 4.18Å; L62-L129 HydrophobicContact CD2-CD2 4.42Å; L66-L129 HydrophobicContact CD1-CD1 3.94Å; W75-L129 HydrophobicContact CH2-CD1 3.98Å; W75-L129 HydrophobicContact CH2-CD2 3.83Å; W75-L129 HydrophobicContact CH2-CG 4.39Å; W75-L129 HydrophobicContact CZ2-CD2 3.99Å; L129-Q365 HydrophobicContact CD1-CB 4.12Å; L129-Q369 HydrophobicContact CD1-CG 4.21Å |
| 130 | D | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 150.6 | -165.9 | -145.5 | -12 | 0 | 0 | 0 | 111.7 | V128 G133 L135 T136 T154 E155 E156 | V128-D130 HydrophobicContact CG1-CB 3.96Å; D130-G133 PolarHBondContact OD1-N 2.85Å; D130-G133 VanDerWaalsContact OD2-C 3.3Å; D130-G133 VanDerWaalsContact OD2-CA 3.26Å; D130-G133 WeakPolarHBondContact OD2-CA 3.31Å; D130-L135 PolarHBondContact OD2-N 3.21Å; D130-T136 WeakPolarHBondContact OD2-CB 3.41Å; D130-T136 PolarHBondContact OD2-N 3.45Å; D130-T136 PolarHBondContact OD2-OG1 2.7Å; D130-T154 PolarHBondContact N-O 3.27Å; D130-E155 WeakPolarHBondContact CB-OE2 3.48Å; D130-E155 WeakPolarHBondContact O-CA 3.2Å; D130-E156 PolarHBondContact O-N 3.05Å |
| 131 | D | 96.8 | Very high | 97.5 | Very high | 19 Ų | 19 | 26.5 Ų | 26.5 | 10% | 0.102 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -140.3 | 101.4 | 174.9 | -177.4 | -52.2 | 0 | 0 | 0 | 107.3 | C52 L53 C78 T157 | C52-D131 PolarHBondContact O-N 3.35Å; L53-D131 HydrophobicContact CB-CB 3.99Å; L53-D131 HydrophobicContact CD1-CB 3.88Å; L53-D131 HydrophobicContact CG-CB 3.62Å; C78-D131 HydrophobicContact CB-CB 4.5Å; C78-D131 WeakPolarHBondContact CB-O 3.47Å; D131-T157 HydrophobicContact CB-CG2 4.26Å; D131-T157 WeakPolarHBondContact OD1-CG2 3.27Å |
| 132 | G | 92.3 | Very high | 97.7 | Very high | 10 Ų | 10 | 27.6 Ų | 27.6 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 107 | -25 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E155 T157 G160 | G132-E155 PolarHBondContact N-OE1 3.05Å; G132-E155 PolarHBondContact N-OE2 2.86Å; G132-T157 WeakPolarHBondContact CA-OG1 3.34Å; G132-T157 PolarHBondContact N-OG1 2.87Å; G132-T157 VanDerWaalsContact N-OG1 3.14Å; G132-G160 WeakPolarHBondContact O-CA 3.46Å |
| 133 | G | 96.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 94.5 | 10 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | D130 T136 A137 E155 | D130-G133 PolarHBondContact OD1-N 2.85Å; D130-G133 VanDerWaalsContact OD2-C 3.3Å; D130-G133 VanDerWaalsContact OD2-CA 3.26Å; D130-G133 WeakPolarHBondContact OD2-CA 3.31Å; G133-T136 PolarHBondContact O-N 2.87Å; G133-A137 VanDerWaalsContact O-CB 3.3Å; G133-A137 WeakPolarHBondContact O-CB 3.39Å; G133-A137 PolarHBondContact O-N 3.32Å; G133-E155 WeakPolarHBondContact CA-OE2 3.25Å; G133-E155 PolarHBondContact N-OE2 2.98Å |
| 134 | D | 96.9 | Very high | 97.8 | Very high | 46 Ų | 46 | 26.3 Ų | 26.3 | 25% | 0.246 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.8 | -41 | -174.6 | -78.7 | -3.9 | 0 | 0 | 0 | 112.1 | Y109 I113 A137 L138 | Y109-D134 WeakPolarHBondContact CE1-OD2 3.45Å; Y109-D134 PolarHBondContact OH-OD2 3.07Å; I113-D134 HydrophobicContact CD1-CB 4.11Å; D134-A137 PolarHBondContact O-N 3.13Å; D134-L138 VanDerWaalsContact O-CB 3.23Å; D134-L138 WeakPolarHBondContact O-CB 3.37Å; D134-L138 PolarHBondContact O-N 3.33Å |
| 135 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.1 | -42.3 | 175.3 | 171.8 | 58.5 | 0 | 0 | 0 | 110.6 | A50 C52 I113 L117 V128 D130 A137 L138 V139 | A50-L135 HydrophobicContact CB-CD2 3.76Å; A50-L135 VanDerWaalsContact O-CD2 3.28Å; A50-L135 WeakPolarHBondContact O-CD2 3.46Å; C52-L135 HydrophobicContact CB-CB 3.58Å; C52-L135 HydrophobicContact CB-CD2 4.05Å; C52-L135 HydrophobicContact CB-CG 4.45Å; I113-L135 HydrophobicContact CG2-CB 4.18Å; I113-L135 HydrophobicContact CG2-CD1 3.74Å; L117-L135 HydrophobicContact CD2-CD1 3.65Å; V128-L135 HydrophobicContact CG1-CD2 3.85Å; V128-L135 HydrophobicContact CG1-CG 3.98Å; D130-L135 PolarHBondContact OD2-N 3.21Å; L135-A137 PolarHBondContact O-N 2.72Å; L135-L138 PolarHBondContact O-N 3.23Å; L135-V139 HydrophobicContact CD1-CG2 4.03Å; L135-V139 WeakPolarHBondContact O-CG2 3.34Å; L135-V139 PolarHBondContact O-N 3.44Å |
| 136 | T | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 175.6 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | D130 G133 H140 V153 L164 M167 | D130-T136 WeakPolarHBondContact OD2-CB 3.41Å; D130-T136 PolarHBondContact OD2-N 3.45Å; D130-T136 PolarHBondContact OD2-OG1 2.7Å; G133-T136 PolarHBondContact O-N 2.87Å; T136-H140 WeakPolarHBondContact O-CB 3.23Å; T136-H140 PolarHBondContact O-N 2.94Å; T136-H140 PolarHBondContact O-ND1 3.01Å; T136-V153 HydrophobicContact CG2-CG2 4.27Å; T136-V153 WeakPolarHBondContact OG1-CG1 3.44Å; T136-L164 HydrophobicContact CG2-CD2 3.97Å; T136-M167 HydrophobicContact CG2-CE 4.26Å; T136-M167 HydrophobicContact CG2-SD 4.45Å |
| 137 | A | 97.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 32.9 Ų | 32.9 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.9 | -48.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G133 D134 L135 V139 H140 E141 | G133-A137 VanDerWaalsContact O-CB 3.3Å; G133-A137 WeakPolarHBondContact O-CB 3.39Å; G133-A137 PolarHBondContact O-N 3.32Å; D134-A137 PolarHBondContact O-N 3.13Å; L135-A137 PolarHBondContact O-N 2.72Å; A137-V139 VanDerWaalsContact C-N 3.33Å; A137-V139 PolarHBondContact O-N 2.96Å; A137-H140 PolarHBondContact O-N 2.68Å; A137-E141 WeakPolarHBondContact O-CB 3.28Å; A137-E141 WeakPolarHBondContact O-CG 3.39Å; A137-E141 PolarHBondContact O-N 3.17Å |
| 138 | L | 98.1 | Very high | 97.6 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.5 | -44.7 | 179.6 | -176.3 | 143.7 | 0 | 0 | 0 | 111.8 | T110 I113 E114 L117 D134 L135 K142 H143 | T110-L138 HydrophobicContact CG2-CD1 4.41Å; I113-L138 HydrophobicContact CB-CD1 4.32Å; I113-L138 HydrophobicContact CG2-CD1 4Å; I113-L138 HydrophobicContact CG2-CD2 4.42Å; E114-L138 HydrophobicContact CG-CD1 3.96Å; E114-L138 HydrophobicContact CG-CD2 4.48Å; L117-L138 HydrophobicContact CD1-CD2 3.74Å; L117-L138 HydrophobicContact CD2-CD2 4.25Å; L117-L138 HydrophobicContact CG-CD2 4.47Å; D134-L138 VanDerWaalsContact O-CB 3.23Å; D134-L138 WeakPolarHBondContact O-CB 3.37Å; D134-L138 PolarHBondContact O-N 3.33Å; L135-L138 PolarHBondContact O-N 3.23Å; L138-K142 HydrophobicContact CG-CD 4.47Å; L138-K142 WeakPolarHBondContact O-CA 3.44Å; L138-K142 WeakPolarHBondContact O-CB 3.45Å; L138-K142 PolarHBondContact O-N 3.05Å; L138-H143 PolarHBondContact O-N 3.18Å |
| 139 | V | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 177.1 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | L117 L125 L135 A137 E141 H143 L147 I150 | L117-V139 HydrophobicContact CD2-CG2 3.82Å; L125-V139 HydrophobicContact CD1-CG2 4.3Å; L135-V139 HydrophobicContact CD1-CG2 4.03Å; L135-V139 WeakPolarHBondContact O-CG2 3.34Å; L135-V139 PolarHBondContact O-N 3.44Å; A137-V139 VanDerWaalsContact C-N 3.33Å; A137-V139 PolarHBondContact O-N 2.96Å; V139-E141 VanDerWaalsContact C-N 3.31Å; V139-E141 PolarHBondContact O-N 3.43Å; V139-H143 CarbonylContact O-C 3.6Å; V139-H143 WeakPolarHBondContact O-CA 3.26Å; V139-H143 PolarHBondContact O-N 2.84Å; V139-H143 VanDerWaalsContact O-O 3.13Å; V139-L147 HydrophobicContact CG1-CD2 3.76Å; V139-L147 HydrophobicContact CG1-CG 4.21Å; V139-I150 HydrophobicContact CG1-CD1 3.61Å |
| 140 | H | 98.1 | Very high | 97.5 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 12% | 0.12 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.8 | -30.2 | -179.3 | -79.3 | 78.1 | 0 | 0 | 0 | 113.6 | T136 A137 M167 R172 K174 | T136-H140 WeakPolarHBondContact O-CB 3.23Å; T136-H140 PolarHBondContact O-N 2.94Å; T136-H140 PolarHBondContact O-ND1 3.01Å; A137-H140 PolarHBondContact O-N 2.68Å; H140-M167 HydrophobicContact CB-CE 3.8Å; H140-M167 WeakPolarHBondContact CD2-CE 3.15Å; H140-R172 PolarHBondContact CD2-O 2.84Å; H140-K174 PolarHBondContact NE2-N 3.39Å |
| 141 | E | 97.2 | Very high | 97.5 | Very high | 133 Ų | 133 | 48.3 Ų | 48.3 | 62% | 0.621 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -99.3 | -40.2 | -172.5 | -65.3 | -179.8 | 177.5 | 0 | 0 | 113.2 | A137 V139 R172 | A137-E141 WeakPolarHBondContact O-CB 3.28Å; A137-E141 WeakPolarHBondContact O-CG 3.39Å; A137-E141 PolarHBondContact O-N 3.17Å; V139-E141 VanDerWaalsContact C-N 3.31Å; V139-E141 PolarHBondContact O-N 3.43Å; E141-R172 IonicContact OE1-NH1 3.57Å |
| 142 | K | 97.8 | Very high | 97.5 | Very high | 122 Ų | 122 | 47.4 Ų | 47.4 | 53% | 0.53 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -107 | -27.3 | -175 | -65 | -175.3 | 176.5 | 177.6 | 0 | 114.2 | L138 | L138-K142 HydrophobicContact CG-CD 4.47Å; L138-K142 WeakPolarHBondContact O-CA 3.44Å; L138-K142 WeakPolarHBondContact O-CB 3.45Å; L138-K142 PolarHBondContact O-N 3.05Å |
| 143 | H | 97.9 | Very high | 97.9 | Very high | 41 Ų | 41 | 47 Ų | 47 | 19% | 0.19 | 24% | 0.238 | C | C | . | . | trans | -127.4 | 50.1 | -177.5 | -62.3 | -70.7 | 0 | 0 | 0 | 113.8 | L117 L138 V139 E145 Y146 | L117-H143 WeakPolarHBondContact CD1-CD2 3.32Å; L138-H143 PolarHBondContact O-N 3.18Å; V139-H143 CarbonylContact O-C 3.6Å; V139-H143 WeakPolarHBondContact O-CA 3.26Å; V139-H143 PolarHBondContact O-N 2.84Å; V139-H143 VanDerWaalsContact O-O 3.13Å; H143-E145 VanDerWaalsContact CA-OE2 3.25Å; H143-E145 WeakPolarHBondContact CA-OE2 3.39Å; H143-E145 IonicContact CG-OE1 2.74Å; H143-E145 IonicContact ND1-OE1 3.29Å; H143-E145 PolarHBondContact ND1-OE1 3.47Å; H143-E145 PolarHBondContact O-N 3.36Å; H143-Y146 HydrophobicContact CB-CD2 3.58Å; H143-Y146 HydrophobicContact CB-CE2 3.74Å; H143-Y146 HydrophobicContact CB-CG 4.48Å; H143-Y146 AromaticContact CG-CE2 3.89Å; H143-Y146 AromaticContact ND1-CE2 3.91Å; H143-Y146 PolarHBondContact O-N 2.9Å | ||
| 144 | P | 97.9 | Very high | 98 | Very high | 68 Ų | 68 | 46.9 Ų | 46.9 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -60.7 | -19.9 | -177.5 | 28.1 | -36.4 | 0 | 0 | 0 | 112.9 | Y146 L147 | P144-Y146 PolarHBondContact O-N 3.03Å; P144-L147 HydrophobicContact CB-CD1 3.96Å; P144-L147 WeakPolarHBondContact O-CB 3.31Å; P144-L147 PolarHBondContact O-N 3.43Å |
| 145 | E | 97.9 | Very high | 98.1 | Very high | 116 Ų | 116 | 44.7 Ų | 44.7 | 54% | 0.542 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -59.9 | -22.9 | 173.9 | 67.6 | -82.1 | -172.2 | 0 | 0 | 114 | H143 | H143-E145 VanDerWaalsContact CA-OE2 3.25Å; H143-E145 WeakPolarHBondContact CA-OE2 3.39Å; H143-E145 IonicContact CG-OE1 2.74Å; H143-E145 IonicContact ND1-OE1 3.29Å; H143-E145 PolarHBondContact ND1-OE1 3.47Å; H143-E145 PolarHBondContact O-N 3.36Å |
| 146 | Y | 98 | Very high | 97.9 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -88.1 | -15.1 | 177.8 | -57.2 | -34.6 | 0 | 0 | 0 | 113.5 | L117 I118 P124 L125 H143 P144 E148 G149 I150 | L117-Y146 HydrophobicContact CB-CE2 4.18Å; L117-Y146 HydrophobicContact CD1-CE2 4.17Å; I118-Y146 HydrophobicContact CD1-CE1 3.95Å; I118-Y146 HydrophobicContact CD1-CE2 4.22Å; I118-Y146 WeakPolarHBondContact CD1-OH 3.48Å; P124-Y146 HydrophobicContact CB-CD1 3.47Å; P124-Y146 VanDerWaalsContact CB-CD1 3.47Å; P124-Y146 HydrophobicContact CB-CE1 3.81Å; P124-Y146 HydrophobicContact CB-CG 3.91Å; P124-Y146 HydrophobicContact CG-CD1 4.02Å; P124-Y146 HydrophobicContact CG-CE1 4.46Å; L125-Y146 HydrophobicContact CD2-CD2 3.97Å; L125-Y146 HydrophobicContact CD2-CG 4.21Å; H143-Y146 HydrophobicContact CB-CD2 3.58Å; H143-Y146 HydrophobicContact CB-CE2 3.74Å; H143-Y146 HydrophobicContact CB-CG 4.48Å; H143-Y146 AromaticContact CG-CE2 3.89Å; H143-Y146 AromaticContact ND1-CE2 3.91Å; H143-Y146 PolarHBondContact O-N 2.9Å; P144-Y146 PolarHBondContact O-N 3.03Å; Y146-E148 VanDerWaalsContact C-N 3.3Å; Y146-E148 PolarHBondContact O-N 2.87Å; Y146-G149 PolarHBondContact O-N 3.13Å; Y146-I150 WeakPolarHBondContact O-CG1 3.23Å; Y146-I150 PolarHBondContact O-N 3.08Å |
| 147 | L | 98 | Very high | 97.5 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -60.2 | -36.6 | -172.2 | -70.2 | 169.1 | 0 | 0 | 0 | 113.3 | V139 P144 G149 I150 K174 | V139-L147 HydrophobicContact CG1-CD2 3.76Å; V139-L147 HydrophobicContact CG1-CG 4.21Å; P144-L147 HydrophobicContact CB-CD1 3.96Å; P144-L147 WeakPolarHBondContact O-CB 3.31Å; P144-L147 PolarHBondContact O-N 3.43Å; L147-G149 PolarHBondContact O-N 3.35Å; L147-I150 PolarHBondContact O-N 2.81Å; L147-K174 HydrophobicContact CB-CB 4.32Å; L147-K174 HydrophobicContact CD1-CB 4.02Å; L147-K174 HydrophobicContact CD1-CG 3.9Å; L147-K174 HydrophobicContact CD2-CB 4.43Å |
| 148 | E | 96.4 | Very high | 97 | Very high | 198 Ų | 198 | 47.5 Ų | 47.5 | 93% | 0.925 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -62.5 | -29.6 | 178.8 | -172.8 | 175.7 | -170.9 | 0 | 0 | 112.2 | Y146 | Y146-E148 VanDerWaalsContact C-N 3.3Å; Y146-E148 PolarHBondContact O-N 2.87Å |
| 149 | G | 97.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 42% | 0.423 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -85.5 | -12.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N126 Y146 L147 | N126-G149 WeakPolarHBondContact CA-O 3.47Å; N126-G149 WeakPolarHBondContact CB-O 3.34Å; Y146-G149 PolarHBondContact O-N 3.13Å; L147-G149 PolarHBondContact O-N 3.35Å |
| 150 | I | 98.5 | Very high | 96.3 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 5% | 0.046 | 25% | 0.245 | C | C | . | . | trans | -88.2 | 112.6 | -175.3 | -66.1 | 168.1 | 0 | 0 | 0 | 110 | L125 N126 V128 V139 Y146 L147 G152 C175 | L125-I150 HydrophobicContact CD1-CD1 4.1Å; L125-I150 HydrophobicContact CD2-CD1 4.33Å; L125-I150 HydrophobicContact CG-CD1 4.02Å; L125-I150 HydrophobicContact CG-CG1 4.17Å; N126-I150 CarbonylContact O-C 3.47Å; N126-I150 WeakPolarHBondContact O-CA 3.45Å; V128-I150 HydrophobicContact CG2-CD1 4.26Å; V128-I150 HydrophobicContact CG2-CG2 4.26Å; V139-I150 HydrophobicContact CG1-CD1 3.61Å; Y146-I150 WeakPolarHBondContact O-CG1 3.23Å; Y146-I150 PolarHBondContact O-N 3.08Å; L147-I150 PolarHBondContact O-N 2.81Å; I150-G152 VanDerWaalsContact C-N 3.34Å; I150-C175 HydrophobicContact CG2-CB 4.27Å | ||
| 151 | K | 98.3 | Very high | 96.1 | Very high | 78 Ų | 78 | 47 Ų | 47 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | trans | -73.7 | -24.7 | 178.6 | -69.9 | -161.3 | -171 | 166.4 | 0 | 113.5 | N126 M127 P176 W373 | N126-K151 PolarHBondContact O-N 3.47Å; M127-K151 HydrophobicContact SD-CB 3.77Å; K151-P176 WeakPolarHBondContact O-CD 3.2Å; K151-W373 HydrophobicContact CB-CE3 4.4Å; K151-W373 HydrophobicContact CD-CD2 4.37Å; K151-W373 HydrophobicContact CD-CE3 3.53Å; K151-W373 HydrophobicContact CD-CH2 4.4Å; K151-W373 HydrophobicContact CD-CZ3 3.55Å; K151-W373 VanDerWaalsContact CE-CZ3 3.49Å; K151-W373 HydrophobicContact CG-CE3 4.22Å; K151-W373 HydrophobicContact CG-CZ3 4.02Å; K151-W373 PolarHBondContact NZ-O 2.82Å | ||
| 152 | G | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.6 | 172.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | V128 I150 P176 | V128-G152 PolarHBondContact N-O 3.41Å; I150-G152 VanDerWaalsContact C-N 3.34Å; G152-P176 CarbonylContact C-O 3.58Å; G152-P176 WeakPolarHBondContact CA-O 3.37Å |
| 153 | V | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.6 | 179.3 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | V128 T136 L164 C175 P176 A177 I178 L372 | V128-V153 HydrophobicContact CB-CB 4.36Å; V128-V153 HydrophobicContact CB-CG1 4.45Å; V128-V153 HydrophobicContact CB-CG2 3.89Å; V128-V153 HydrophobicContact CG1-CB 4.5Å; V128-V153 HydrophobicContact CG1-CG1 4.07Å; V128-V153 HydrophobicContact CG1-CG2 4.16Å; V128-V153 HydrophobicContact CG2-CG2 4.37Å; V128-V153 WeakPolarHBondContact O-CA 3.07Å; T136-V153 HydrophobicContact CG2-CG2 4.27Å; T136-V153 WeakPolarHBondContact OG1-CG1 3.44Å; V153-L164 HydrophobicContact CG1-CD1 4.48Å; V153-L164 HydrophobicContact CG1-CD2 4.43Å; V153-C175 VanDerWaalsContact CG2-SG 3.59Å; V153-P176 PolarHBondContact N-O 2.92Å; V153-A177 HydrophobicContact CB-CB 4.08Å; V153-A177 CarbonylContact O-C 3.6Å; V153-A177 WeakPolarHBondContact O-CA 3.31Å; V153-I178 PolarHBondContact O-N 3.37Å; V153-L372 WeakPolarHBondContact O-CD1 3.19Å |
| 154 | T | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.1 | 166 | 64 | 0 | 0 | 0 | 0 | 109 | V128 D130 I178 Q365 A368 Q369 L372 | V128-T154 PolarHBondContact O-N 2.84Å; D130-T154 PolarHBondContact N-O 3.27Å; T154-I178 HydrophobicContact CG2-CB 4.48Å; T154-Q365 PolarHBondContact OG1-OE1 3.27Å; T154-A368 HydrophobicContact CG2-CB 3.46Å; T154-A368 VanDerWaalsContact CG2-CB 3.46Å; T154-Q369 HydrophobicContact CG2-CG 4.16Å; T154-Q369 VanDerWaalsContact CG2-NE2 3.33Å; T154-Q369 PolarHBondContact OG1-NE2 3.34Å; T154-L372 HydrophobicContact CG2-CD1 3.63Å |
| 155 | E | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.2 | -173 | 170.8 | 59.9 | -124.7 | 0 | 0 | 111.2 | D130 G132 G133 T157 G160 V161 L164 I178 V180 N181 | D130-E155 WeakPolarHBondContact CB-OE2 3.48Å; D130-E155 WeakPolarHBondContact O-CA 3.2Å; G132-E155 PolarHBondContact N-OE1 3.05Å; G132-E155 PolarHBondContact N-OE2 2.86Å; G133-E155 WeakPolarHBondContact CA-OE2 3.25Å; G133-E155 PolarHBondContact N-OE2 2.98Å; E155-T157 WeakPolarHBondContact OE1-CB 3.41Å; E155-T157 PolarHBondContact OE1-N 3.45Å; E155-T157 PolarHBondContact OE1-OG1 3.12Å; E155-G160 VanDerWaalsContact CG-C 3.47Å; E155-V161 HydrophobicContact CB-CG2 4.37Å; E155-V161 HydrophobicContact CG-CG2 3.82Å; E155-L164 HydrophobicContact CB-CD1 3.54Å; E155-L164 HydrophobicContact CG-CD1 3.95Å; E155-I178 PolarHBondContact N-O 2.61Å; E155-V180 WeakPolarHBondContact O-CB 3.38Å; E155-V180 PolarHBondContact O-N 2.65Å; E155-N181 PolarHBondContact O-N 2.86Å |
| 156 | E | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -106.1 | -14.5 | -167.9 | 179.8 | 173 | 166 | 0 | 0 | 114.5 | D130 V180 N181 K186 S361 Q365 | D130-E156 PolarHBondContact O-N 3.05Å; E156-V180 HydrophobicContact CB-CB 4.47Å; E156-V180 HydrophobicContact CB-CG1 4.4Å; E156-V180 HydrophobicContact CG-CG1 4.37Å; E156-N181 WeakPolarHBondContact O-CA 3.27Å; E156-N181 WeakPolarHBondContact O-CB 3.47Å; E156-N181 PolarHBondContact O-OD1 3.16Å; E156-N181 VanDerWaalsContact O-OD1 3.08Å; E156-K186 HydrophobicContact CG-CD 4.37Å; E156-K186 HydrophobicContact CG-CG 4.22Å; E156-K186 WeakPolarHBondContact O-CE 3.36Å; E156-K186 PolarHBondContact O-NZ 2.94Å; E156-S361 WeakPolarHBondContact OE1-CB 3.5Å; E156-Q365 VanDerWaalsContact CB-NE2 3.29Å; E156-Q365 WeakPolarHBondContact OE2-CG 3.45Å; E156-Q365 PolarHBondContact OE2-NE2 2.84Å | ||
| 157 | T | 90.5 | Very high | 95.8 | Very high | 26 Ų | 26 | 40.6 Ų | 40.6 | 16% | 0.16 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -101.1 | 153.5 | -177.2 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | D131 G132 E155 T159 G160 V161 | D131-T157 HydrophobicContact CB-CG2 4.26Å; D131-T157 WeakPolarHBondContact OD1-CG2 3.27Å; G132-T157 WeakPolarHBondContact CA-OG1 3.34Å; G132-T157 PolarHBondContact N-OG1 2.87Å; G132-T157 VanDerWaalsContact N-OG1 3.14Å; E155-T157 WeakPolarHBondContact OE1-CB 3.41Å; E155-T157 PolarHBondContact OE1-N 3.45Å; E155-T157 PolarHBondContact OE1-OG1 3.12Å; T157-T159 PolarHBondContact O-N 2.89Å; T157-G160 PolarHBondContact OG1-N 2.99Å; T157-V161 WeakPolarHBondContact O-CB 3.44Å; T157-V161 VanDerWaalsContact O-CG2 3.23Å; T157-V161 WeakPolarHBondContact O-CG2 3.39Å; T157-V161 PolarHBondContact O-N 3.29Å |
| 158 | T | 87.3 | Confident | 95.8 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 34% | 0.337 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.1 | -37.7 | 174.8 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | R162 N181 | T158-R162 WeakPolarHBondContact O-CB 3.39Å; T158-R162 VanDerWaalsContact O-CG 3.25Å; T158-R162 WeakPolarHBondContact O-CG 3.34Å; T158-R162 PolarHBondContact O-N 2.59Å; T158-N181 PolarHBondContact N-OD1 3.29Å; T158-N181 VanDerWaalsContact N-OD1 3.13Å; T158-N181 PolarHBondContact OG1-ND2 3.17Å; T158-N181 VanDerWaalsContact OG1-ND2 3.13Å; T158-N181 PolarHBondContact OG1-OD1 3.17Å |
| 159 | T | 87.6 | Confident | 95.9 | Very high | 30 Ų | 30 | 40 Ų | 40 | 18% | 0.184 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -76.4 | -45.9 | -178.4 | -54.4 | 0 | 0 | 0 | 0 | 112.7 | T157 V161 R162 N163 H301 | T157-T159 PolarHBondContact O-N 2.89Å; T159-V161 PolarHBondContact O-N 3.25Å; T159-R162 WeakPolarHBondContact O-CB 3.29Å; T159-R162 PolarHBondContact O-N 2.79Å; T159-R162 VanDerWaalsContact O-N 3.09Å; T159-N163 PolarHBondContact O-N 3.09Å; T159-H301 WeakPolarHBondContact CB-CE1 3.33Å; T159-H301 WeakPolarHBondContact CB-ND1 3.16Å; T159-H301 WeakPolarHBondContact CG2-CE1 3.39Å; T159-H301 WeakPolarHBondContact CG2-NE2 2.93Å; T159-H301 PolarHBondContact OG1-CE1 3.38Å; T159-H301 VanDerWaalsContact OG1-CG 3.27Å; T159-H301 PolarHBondContact OG1-ND1 3.38Å |
| 160 | G | 92.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.4 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G132 E155 T157 R162 N163 L164 | G132-G160 WeakPolarHBondContact O-CA 3.46Å; E155-G160 VanDerWaalsContact CG-C 3.47Å; T157-G160 PolarHBondContact OG1-N 2.99Å; G160-R162 PolarHBondContact O-N 2.95Å; G160-N163 WeakPolarHBondContact O-CB 3.47Å; G160-N163 PolarHBondContact O-N 3.46Å; G160-N163 VanDerWaalsContact O-N 3.12Å; G160-L164 WeakPolarHBondContact O-CG 3.34Å; G160-L164 PolarHBondContact O-N 3.31Å |
| 161 | V | 95.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 173.9 | 169.7 | 0 | 0 | 0 | 0 | 112.3 | E155 T157 T159 N163 L164 Y165 N179 N181 | E155-V161 HydrophobicContact CB-CG2 4.37Å; E155-V161 HydrophobicContact CG-CG2 3.82Å; T157-V161 WeakPolarHBondContact O-CB 3.44Å; T157-V161 VanDerWaalsContact O-CG2 3.23Å; T157-V161 WeakPolarHBondContact O-CG2 3.39Å; T157-V161 PolarHBondContact O-N 3.29Å; T159-V161 PolarHBondContact O-N 3.25Å; V161-N163 PolarHBondContact O-N 2.62Å; V161-L164 WeakPolarHBondContact O-CB 3.18Å; V161-L164 PolarHBondContact O-N 3.04Å; V161-Y165 HydrophobicContact CG1-CD2 3.66Å; V161-Y165 HydrophobicContact CG1-CE2 3.36Å; V161-Y165 VanDerWaalsContact O-CD2 3.24Å; V161-Y165 WeakPolarHBondContact O-CD2 2.97Å; V161-Y165 PolarHBondContact O-N 2.71Å; V161-N179 HydrophobicContact CG1-CB 4.19Å; V161-N179 VanDerWaalsContact CG1-ND2 3.34Å; V161-N179 WeakPolarHBondContact CG1-ND2 3.48Å; V161-N179 HydrophobicContact CG2-CB 4.03Å; V161-N179 VanDerWaalsContact CG2-OD1 3.31Å; V161-N179 WeakPolarHBondContact CG2-OD1 3.41Å; V161-N181 HydrophobicContact CG2-CB 3.86Å |
| 162 | R | 93.3 | Very high | 95.7 | Very high | 125 Ų | 125 | 44.4 Ų | 44.4 | 47% | 0.472 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.3 | -39.2 | 174 | -78.1 | 171.9 | 176.5 | -178.1 | 1.2 | 111.2 | T158 T159 G160 K166 G277 | T158-R162 WeakPolarHBondContact O-CB 3.39Å; T158-R162 VanDerWaalsContact O-CG 3.25Å; T158-R162 WeakPolarHBondContact O-CG 3.34Å; T158-R162 PolarHBondContact O-N 2.59Å; T159-R162 WeakPolarHBondContact O-CB 3.29Å; T159-R162 PolarHBondContact O-N 2.79Å; T159-R162 VanDerWaalsContact O-N 3.09Å; G160-R162 PolarHBondContact O-N 2.95Å; R162-K166 VanDerWaalsContact O-CG 3.32Å; R162-K166 WeakPolarHBondContact O-CG 3.47Å; R162-K166 PolarHBondContact O-N 2.85Å; R162-G277 PolarHBondContact NH1-O 3.49Å |
| 163 | N | 94.7 | Very high | 95.7 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.5 | -43.8 | 176.3 | -170.6 | 41.4 | 0 | 0 | 0 | 111.7 | T159 G160 V161 Y165 K166 M167 | T159-N163 PolarHBondContact O-N 3.09Å; G160-N163 WeakPolarHBondContact O-CB 3.47Å; G160-N163 PolarHBondContact O-N 3.46Å; G160-N163 VanDerWaalsContact O-N 3.12Å; V161-N163 PolarHBondContact O-N 2.62Å; N163-Y165 PolarHBondContact O-N 2.99Å; N163-K166 WeakPolarHBondContact O-CB 2.86Å; N163-K166 PolarHBondContact O-N 3.18Å; N163-K166 VanDerWaalsContact O-N 3.14Å; N163-M167 WeakPolarHBondContact O-CB 3.29Å; N163-M167 VanDerWaalsContact O-CG 3.29Å; N163-M167 WeakPolarHBondContact O-CG 3.27Å; N163-M167 PolarHBondContact O-N 2.88Å |
| 164 | L | 98.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 174.5 | -73.3 | 171.9 | 0 | 0 | 0 | 112.1 | T136 V153 E155 G160 V161 K166 M167 F168 L173 A177 V383 | T136-L164 HydrophobicContact CG2-CD2 3.97Å; V153-L164 HydrophobicContact CG1-CD1 4.48Å; V153-L164 HydrophobicContact CG1-CD2 4.43Å; E155-L164 HydrophobicContact CB-CD1 3.54Å; E155-L164 HydrophobicContact CG-CD1 3.95Å; G160-L164 WeakPolarHBondContact O-CG 3.34Å; G160-L164 PolarHBondContact O-N 3.31Å; V161-L164 WeakPolarHBondContact O-CB 3.18Å; V161-L164 PolarHBondContact O-N 3.04Å; L164-K166 PolarHBondContact O-N 3.44Å; L164-M167 PolarHBondContact O-N 3.37Å; L164-F168 WeakPolarHBondContact O-CB 3.32Å; L164-F168 PolarHBondContact O-N 3.02Å; L164-L173 HydrophobicContact CD2-CD1 3.82Å; L164-A177 HydrophobicContact CD1-CB 3.84Å; L164-A177 HydrophobicContact CD2-CB 3.99Å; L164-A177 HydrophobicContact CG-CB 4.46Å; L164-V383 HydrophobicContact CB-CG2 3.79Å |
| 165 | Y | 98 | Very high | 95.6 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 32% | 0.318 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.4 | -76.9 | -60.4 | 0 | 0 | 0 | 112.3 | V161 N163 F168 S169 V383 F385 | V161-Y165 HydrophobicContact CG1-CD2 3.66Å; V161-Y165 HydrophobicContact CG1-CE2 3.36Å; V161-Y165 VanDerWaalsContact O-CD2 3.24Å; V161-Y165 WeakPolarHBondContact O-CD2 2.97Å; V161-Y165 PolarHBondContact O-N 2.71Å; N163-Y165 PolarHBondContact O-N 2.99Å; Y165-F168 PolarHBondContact O-N 3.36Å; Y165-S169 WeakPolarHBondContact O-CB 3.5Å; Y165-S169 PolarHBondContact O-N 3.35Å; Y165-S169 PolarHBondContact O-OG 3Å; Y165-V383 HydrophobicContact CD1-CB 3.83Å; Y165-V383 HydrophobicContact CD1-CG1 4.17Å; Y165-V383 HydrophobicContact CD1-CG2 3.94Å; Y165-V383 HydrophobicContact CE1-CB 3.55Å; Y165-V383 HydrophobicContact CE1-CG1 3.7Å; Y165-V383 HydrophobicContact CE1-CG2 4.2Å; Y165-V383 HydrophobicContact CE2-CG1 4.15Å; Y165-V383 HydrophobicContact CG-CG2 4.42Å; Y165-F385 WeakPolarHBondContact OH-CZ 3.47Å |
| 166 | K | 97.4 | Very high | 95.6 | Very high | 135 Ų | 135 | 51.3 Ų | 51.3 | 59% | 0.587 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.2 | -49.6 | 173.9 | -74.5 | 172.5 | -178.5 | 178.5 | 0 | 110.9 | R162 N163 L164 F168 S169 S170 | R162-K166 VanDerWaalsContact O-CG 3.32Å; R162-K166 WeakPolarHBondContact O-CG 3.47Å; R162-K166 PolarHBondContact O-N 2.85Å; N163-K166 WeakPolarHBondContact O-CB 2.86Å; N163-K166 PolarHBondContact O-N 3.18Å; N163-K166 VanDerWaalsContact O-N 3.14Å; L164-K166 PolarHBondContact O-N 3.44Å; K166-F168 VanDerWaalsContact C-N 3.32Å; K166-F168 PolarHBondContact O-N 3.28Å; K166-S169 PolarHBondContact O-N 3Å; K166-S169 PolarHBondContact O-OG 3.12Å; K166-S170 PolarHBondContact O-N 3.19Å; K166-S170 PolarHBondContact O-OG 3.26Å; K166-S170 VanDerWaalsContact O-OG 3.12Å |
| 167 | M | 98 | Very high | 95.8 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 177.7 | -70.8 | 171.2 | 69 | 0 | 0 | 111.2 | T136 H140 N163 L164 S170 G171 R172 L173 | T136-M167 HydrophobicContact CG2-CE 4.26Å; T136-M167 HydrophobicContact CG2-SD 4.45Å; H140-M167 HydrophobicContact CB-CE 3.8Å; H140-M167 WeakPolarHBondContact CD2-CE 3.15Å; N163-M167 WeakPolarHBondContact O-CB 3.29Å; N163-M167 VanDerWaalsContact O-CG 3.29Å; N163-M167 WeakPolarHBondContact O-CG 3.27Å; N163-M167 PolarHBondContact O-N 2.88Å; L164-M167 PolarHBondContact O-N 3.37Å; M167-S170 PolarHBondContact O-N 3.29Å; M167-S170 PolarHBondContact O-OG 3.1Å; M167-G171 PolarHBondContact O-N 3.34Å; M167-R172 HydrophobicContact CB-CB 4.4Å; M167-R172 PolarHBondContact O-N 3.41Å; M167-L173 HydrophobicContact CB-CB 3.95Å; M167-L173 HydrophobicContact CE-CD1 4.37Å; M167-L173 PolarHBondContact O-N 3.14Å |
| 168 | F | 98.2 | Very high | 96.2 | Very high | 102 Ų | 102 | 50.1 Ų | 50.1 | 45% | 0.447 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 177.5 | -175.6 | -118.3 | 0 | 0 | 0 | 112.1 | L164 Y165 K166 S170 G171 L173 V381 G382 V383 | L164-F168 WeakPolarHBondContact O-CB 3.32Å; L164-F168 PolarHBondContact O-N 3.02Å; Y165-F168 PolarHBondContact O-N 3.36Å; K166-F168 VanDerWaalsContact C-N 3.32Å; K166-F168 PolarHBondContact O-N 3.28Å; F168-S170 PolarHBondContact O-N 2.83Å; F168-G171 PolarHBondContact O-N 3.4Å; F168-L173 HydrophobicContact CB-CB 4.2Å; F168-L173 HydrophobicContact CB-CD2 3.96Å; F168-L173 HydrophobicContact CD2-CD2 4.23Å; F168-L173 HydrophobicContact CG-CD2 4.45Å; F168-V381 VanDerWaalsContact CE2-O 3.26Å; F168-V381 WeakPolarHBondContact CE2-O 3.49Å; F168-G382 VanDerWaalsContact CE2-CA 3.5Å; F168-V383 HydrophobicContact CB-CG2 4.34Å |
| 169 | S | 97.7 | Very high | 96.7 | Very high | 102 Ų | 102 | 47.5 Ų | 47.5 | 71% | 0.713 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.6 | -29.9 | 178.4 | 71.2 | 0 | 0 | 0 | 0 | 113.4 | Y165 K166 | Y165-S169 WeakPolarHBondContact O-CB 3.5Å; Y165-S169 PolarHBondContact O-N 3.35Å; Y165-S169 PolarHBondContact O-OG 3Å; K166-S169 PolarHBondContact O-N 3Å; K166-S169 PolarHBondContact O-OG 3.12Å |
| 170 | S | 97.4 | Very high | 97.2 | Very high | 65 Ų | 65 | 46 Ų | 46 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 1.8 | 174.9 | 67.5 | 0 | 0 | 0 | 0 | 114.7 | K166 M167 F168 R172 | K166-S170 PolarHBondContact O-N 3.19Å; K166-S170 PolarHBondContact O-OG 3.26Å; K166-S170 VanDerWaalsContact O-OG 3.12Å; M167-S170 PolarHBondContact O-N 3.29Å; M167-S170 PolarHBondContact O-OG 3.1Å; F168-S170 PolarHBondContact O-N 2.83Å; S170-R172 PolarHBondContact O-N 3.21Å; S170-R172 WeakPolarHBondContact OG-CG 3.43Å; S170-R172 PolarHBondContact OG-NE 3.41Å |
| 171 | G | 97 | Very high | 97.3 | Very high | 44 Ų | 44 | 46.2 Ų | 46.2 | 45% | 0.454 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 13.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | M167 F168 K174 | M167-G171 PolarHBondContact O-N 3.34Å; F168-G171 PolarHBondContact O-N 3.4Å; G171-K174 PolarHBondContact O-NZ 3.03Å |
| 172 | R | 97.3 | Very high | 97.4 | Very high | 112 Ų | 112 | 49.2 Ų | 49.2 | 42% | 0.423 | 25% | 0.248 | S | C | . | . | trans | -86.6 | -29 | -179.1 | -69.6 | -166.7 | -59.9 | 136 | -0.7 | 113.5 | H140 E141 M167 S170 K174 | H140-R172 PolarHBondContact CD2-O 2.84Å; E141-R172 IonicContact OE1-NH1 3.57Å; M167-R172 HydrophobicContact CB-CB 4.4Å; M167-R172 PolarHBondContact O-N 3.41Å; S170-R172 PolarHBondContact O-N 3.21Å; S170-R172 WeakPolarHBondContact OG-CG 3.43Å; S170-R172 PolarHBondContact OG-NE 3.41Å; R172-K174 WeakPolarHBondContact O-CG 3.37Å; R172-K174 PolarHBondContact O-N 3.33Å | ||
| 173 | L | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | trans | -64.9 | 124.9 | 176 | -177 | 65 | 0 | 0 | 0 | 109.7 | L164 M167 F168 C175 V381 V383 | L164-L173 HydrophobicContact CD2-CD1 3.82Å; M167-L173 HydrophobicContact CB-CB 3.95Å; M167-L173 HydrophobicContact CE-CD1 4.37Å; M167-L173 PolarHBondContact O-N 3.14Å; F168-L173 HydrophobicContact CB-CB 4.2Å; F168-L173 HydrophobicContact CB-CD2 3.96Å; F168-L173 HydrophobicContact CD2-CD2 4.23Å; F168-L173 HydrophobicContact CG-CD2 4.45Å; L173-C175 WeakPolarHBondContact CG-O 3.37Å; L173-V381 HydrophobicContact CG-CG1 4.41Å; L173-V381 VanDerWaalsContact O-CG1 3.32Å; L173-V381 WeakPolarHBondContact O-CG1 3.47Å; L173-V383 HydrophobicContact CD2-CG2 4.01Å | ||
| 174 | K | 97.8 | Very high | 97.8 | Very high | 121 Ų | 121 | 43.2 Ų | 43.2 | 53% | 0.526 | 23% | 0.226 | S | C | . | . | trans | -112.2 | -8 | -175 | -59.6 | -50.1 | -177.7 | -172 | 0 | 115.1 | H140 L147 G171 R172 | H140-K174 PolarHBondContact NE2-N 3.39Å; L147-K174 HydrophobicContact CB-CB 4.32Å; L147-K174 HydrophobicContact CD1-CB 4.02Å; L147-K174 HydrophobicContact CD1-CG 3.9Å; L147-K174 HydrophobicContact CD2-CB 4.43Å; G171-K174 PolarHBondContact O-NZ 3.03Å; R172-K174 WeakPolarHBondContact O-CG 3.37Å; R172-K174 PolarHBondContact O-N 3.33Å | ||
| 175 | C | 97.2 | Very high | 97.8 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -128.3 | 158.3 | 176.3 | 54.5 | 0 | 0 | 0 | 0 | 111 | I150 V153 L173 | I150-C175 HydrophobicContact CG2-CB 4.27Å; V153-C175 VanDerWaalsContact CG2-SG 3.59Å; L173-C175 WeakPolarHBondContact CG-O 3.37Å |
| 176 | P | 98.5 | Very high | 97.8 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 143.5 | 172.2 | -17.3 | 31.1 | 0 | 0 | 0 | 111.1 | K151 G152 V153 L372 Y379 | K151-P176 WeakPolarHBondContact O-CD 3.2Å; G152-P176 CarbonylContact C-O 3.58Å; G152-P176 WeakPolarHBondContact CA-O 3.37Å; V153-P176 PolarHBondContact N-O 2.92Å; P176-L372 HydrophobicContact CB-CD2 3.93Å; P176-Y379 WeakPolarHBondContact CB-O 3.17Å; P176-Y379 WeakPolarHBondContact CG-O 3.41Å |
| 177 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V153 L164 G382 V383 H384 | V153-A177 HydrophobicContact CB-CB 4.08Å; V153-A177 CarbonylContact O-C 3.6Å; V153-A177 WeakPolarHBondContact O-CA 3.31Å; L164-A177 HydrophobicContact CD1-CB 3.84Å; L164-A177 HydrophobicContact CD2-CB 3.99Å; L164-A177 HydrophobicContact CG-CB 4.46Å; A177-G382 PolarHBondContact N-O 3.32Å; A177-V383 CarbonylContact O-C 2.95Å; A177-V383 WeakPolarHBondContact O-CA 3.15Å; A177-H384 PolarHBondContact O-CD2 3.1Å; A177-H384 PolarHBondContact O-N 2.98Å |
| 178 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 121.8 | 167.2 | -69 | 179.4 | 0 | 0 | 0 | 109.1 | V153 T154 E155 V180 A368 E371 L372 Y379 H384 L386 | V153-I178 PolarHBondContact O-N 3.37Å; T154-I178 HydrophobicContact CG2-CB 4.48Å; E155-I178 PolarHBondContact N-O 2.61Å; I178-V180 HydrophobicContact CG2-CG2 4.12Å; I178-V180 PolarHBondContact O-N 2.79Å; I178-A368 HydrophobicContact CB-CB 4.11Å; I178-A368 HydrophobicContact CD1-CB 4.05Å; I178-A368 HydrophobicContact CG2-CB 3.76Å; I178-E371 HydrophobicContact CD1-CB 4.11Å; I178-L372 HydrophobicContact CB-CD1 4.26Å; I178-L372 HydrophobicContact CD1-CD1 4.05Å; I178-L372 HydrophobicContact CD1-CD2 4.19Å; I178-L372 HydrophobicContact CD1-CG 3.68Å; I178-L372 HydrophobicContact CG1-CD1 3.92Å; I178-L372 HydrophobicContact CG1-CD2 4.1Å; I178-L372 HydrophobicContact CG1-CG 3.92Å; I178-Y379 HydrophobicContact CD1-CE1 4.07Å; I178-Y379 HydrophobicContact CG1-CE1 4.37Å; I178-H384 CarbonylContact C-O 3Å; I178-H384 WeakPolarHBondContact CA-O 3.38Å; I178-H384 HydrophobicContact CG1-CB 4.47Å; I178-L386 HydrophobicContact CG2-CB 4.33Å; I178-L386 HydrophobicContact CG2-CD1 4.47Å |
| 179 | N | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 100.5 | 167.1 | 170.7 | -0.3 | 0 | 0 | 0 | 108.8 | V161 N181 D182 V383 H384 F385 | V161-N179 HydrophobicContact CG1-CB 4.19Å; V161-N179 VanDerWaalsContact CG1-ND2 3.34Å; V161-N179 WeakPolarHBondContact CG1-ND2 3.48Å; V161-N179 HydrophobicContact CG2-CB 4.03Å; V161-N179 VanDerWaalsContact CG2-OD1 3.31Å; V161-N179 WeakPolarHBondContact CG2-OD1 3.41Å; N179-N181 WeakPolarHBondContact OD1-CB 3.43Å; N179-N181 PolarHBondContact OD1-N 3.42Å; N179-D182 VanDerWaalsContact ND2-CG 3.33Å; N179-D182 PolarHBondContact ND2-OD2 2.89Å; N179-D182 PolarHBondContact OD1-N 2.95Å; N179-V383 HydrophobicContact CB-CG1 3.95Å; N179-H384 PolarHBondContact N-O 3.49Å; N179-F385 WeakPolarHBondContact ND2-CE1 3.09Å |
| 180 | V | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -80 | -32.9 | 174.6 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | E155 E156 I178 D182 S183 K186 N364 Q365 A368 | E155-V180 WeakPolarHBondContact O-CB 3.38Å; E155-V180 PolarHBondContact O-N 2.65Å; E156-V180 HydrophobicContact CB-CB 4.47Å; E156-V180 HydrophobicContact CB-CG1 4.4Å; E156-V180 HydrophobicContact CG-CG1 4.37Å; I178-V180 HydrophobicContact CG2-CG2 4.12Å; I178-V180 PolarHBondContact O-N 2.79Å; V180-D182 VanDerWaalsContact C-N 3.26Å; V180-D182 PolarHBondContact O-N 3.44Å; V180-S183 WeakPolarHBondContact O-CB 3.4Å; V180-S183 PolarHBondContact O-N 3.25Å; V180-S183 PolarHBondContact O-OG 2.77Å; V180-K186 HydrophobicContact CG1-CB 4.48Å; V180-K186 HydrophobicContact CG1-CG 4.11Å; V180-K186 VanDerWaalsContact O-CB 3.26Å; V180-K186 WeakPolarHBondContact O-CB 3.41Å; V180-N364 HydrophobicContact CG1-CB 3.47Å; V180-N364 VanDerWaalsContact CG1-CB 3.47Å; V180-Q365 HydrophobicContact CG1-CG 4.34Å; V180-A368 HydrophobicContact CG2-CB 3.79Å | ||
| 181 | N | 95.4 | Very high | 97 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -44.9 | -178.1 | -176.7 | 75.8 | 0 | 0 | 0 | 113.1 | E155 E156 T158 V161 N179 S183 K186 S187 | E155-N181 PolarHBondContact O-N 2.86Å; E156-N181 WeakPolarHBondContact O-CA 3.27Å; E156-N181 WeakPolarHBondContact O-CB 3.47Å; E156-N181 PolarHBondContact O-OD1 3.16Å; E156-N181 VanDerWaalsContact O-OD1 3.08Å; T158-N181 PolarHBondContact N-OD1 3.29Å; T158-N181 VanDerWaalsContact N-OD1 3.13Å; T158-N181 PolarHBondContact OG1-ND2 3.17Å; T158-N181 VanDerWaalsContact OG1-ND2 3.13Å; T158-N181 PolarHBondContact OG1-OD1 3.17Å; V161-N181 HydrophobicContact CG2-CB 3.86Å; N179-N181 WeakPolarHBondContact OD1-CB 3.43Å; N179-N181 PolarHBondContact OD1-N 3.42Å; N181-S183 VanDerWaalsContact C-N 3.3Å; N181-S183 PolarHBondContact O-N 3.3Å; N181-K186 PolarHBondContact OD1-NZ 3.18Å; N181-S187 WeakPolarHBondContact O-CB 3.42Å; N181-S187 PolarHBondContact O-N 3.21Å |
| 182 | D | 96.3 | Very high | 97 | Very high | 67 Ų | 67 | 26.5 Ų | 26.5 | 36% | 0.358 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 5 | -172.5 | -66 | -18 | 0 | 0 | 0 | 113.8 | N179 V180 F385 Y432 | N179-D182 VanDerWaalsContact ND2-CG 3.33Å; N179-D182 PolarHBondContact ND2-OD2 2.89Å; N179-D182 PolarHBondContact OD1-N 2.95Å; V180-D182 VanDerWaalsContact C-N 3.26Å; V180-D182 PolarHBondContact O-N 3.44Å; D182-F385 HydrophobicContact CB-CD1 4.02Å; D182-F385 HydrophobicContact CB-CE1 3.68Å; D182-Y432 PolarHBondContact O-OH 3.13Å |
| 183 | S | 98.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 4% | 0.035 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -60.7 | 144.3 | 164.8 | -51 | 0 | 0 | 0 | 0 | 109.4 | V180 N181 T185 K186 S187 N364 | V180-S183 WeakPolarHBondContact O-CB 3.4Å; V180-S183 PolarHBondContact O-N 3.25Å; V180-S183 PolarHBondContact O-OG 2.77Å; N181-S183 VanDerWaalsContact C-N 3.3Å; N181-S183 PolarHBondContact O-N 3.3Å; S183-T185 VanDerWaalsContact C-N 3.29Å; S183-T185 PolarHBondContact O-N 2.96Å; S183-K186 PolarHBondContact O-N 3.31Å; S183-S187 PolarHBondContact O-N 2.79Å; S183-S187 PolarHBondContact O-OG 3.47Å; S183-N364 VanDerWaalsContact CB-OD1 3.32Å; S183-N364 WeakPolarHBondContact CB-OD1 3.21Å; S183-N364 PolarHBondContact OG-OD1 3.29Å |
| 184 | V | 98.1 | Very high | 97.1 | Very high | 38 Ų | 38 | 25 Ų | 25 | 23% | 0.23 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -52.1 | -53.3 | 175.7 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | K186 K188 D391 Y432 | V184-K186 PolarHBondContact O-N 3.4Å; V184-K188 WeakPolarHBondContact O-CB 3.46Å; V184-K188 PolarHBondContact O-N 2.91Å; V184-D391 WeakPolarHBondContact CB-OD2 3.4Å; V184-D391 WeakPolarHBondContact CG2-OD2 3.31Å; V184-D391 PolarHBondContact N-OD1 3.37Å; V184-D391 PolarHBondContact N-OD2 3.25Å; V184-Y432 VanDerWaalsContact CA-OH 3.27Å; V184-Y432 WeakPolarHBondContact CA-OH 3.32Å; V184-Y432 HydrophobicContact CB-CD1 3.46Å; V184-Y432 VanDerWaalsContact CB-CD1 3.46Å; V184-Y432 HydrophobicContact CB-CE1 3.18Å; V184-Y432 HydrophobicContact CB-CG 4.28Å; V184-Y432 HydrophobicContact CG1-CD1 3.06Å; V184-Y432 HydrophobicContact CG1-CD2 4.1Å; V184-Y432 HydrophobicContact CG1-CE1 3.33Å; V184-Y432 HydrophobicContact CG1-CE2 4.27Å; V184-Y432 HydrophobicContact CG1-CG 3.45Å; V184-Y432 VanDerWaalsContact CG1-CG 3.45Å; V184-Y432 HydrophobicContact CG2-CD1 3.2Å; V184-Y432 HydrophobicContact CG2-CE1 2.92Å; V184-Y432 HydrophobicContact CG2-CG 4.39Å; V184-Y432 PolarHBondContact N-OH 2.73Å |
| 185 | T | 98.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -73.5 | -14.8 | -172.4 | 51.7 | 0 | 0 | 0 | 0 | 112 | S183 F189 N360 N364 D391 V394 A395 | S183-T185 VanDerWaalsContact C-N 3.29Å; S183-T185 PolarHBondContact O-N 2.96Å; T185-F189 HydrophobicContact CG2-CE2 4.29Å; T185-F189 WeakPolarHBondContact O-CB 3.47Å; T185-F189 WeakPolarHBondContact O-CD2 3.35Å; T185-N360 WeakPolarHBondContact O-CB 3.16Å; T185-N364 PolarHBondContact OG1-ND2 3.5Å; T185-N364 PolarHBondContact OG1-OD1 3.32Å; T185-D391 WeakPolarHBondContact CB-OD1 3.5Å; T185-D391 WeakPolarHBondContact CG2-O 3.29Å; T185-D391 VanDerWaalsContact CG2-OD1 3.29Å; T185-D391 WeakPolarHBondContact CG2-OD1 3.45Å; T185-D391 PolarHBondContact N-OD1 2.92Å; T185-D391 PolarHBondContact OG1-OD1 3.46Å; T185-V394 HydrophobicContact CG2-CB 4.1Å; T185-V394 HydrophobicContact CG2-CG1 4.07Å; T185-V394 WeakPolarHBondContact OG1-CG1 3.42Å; T185-A395 HydrophobicContact CG2-CB 3.71Å |
| 186 | K | 98.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 2% | 0.022 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -85.4 | -72.4 | 166.8 | -163.5 | -65.2 | 179.4 | 174.5 | 0 | 109.8 | E156 V180 N181 S183 V184 K188 F189 D190 N191 | E156-K186 HydrophobicContact CG-CD 4.37Å; E156-K186 HydrophobicContact CG-CG 4.22Å; E156-K186 WeakPolarHBondContact O-CE 3.36Å; E156-K186 PolarHBondContact O-NZ 2.94Å; V180-K186 HydrophobicContact CG1-CB 4.48Å; V180-K186 HydrophobicContact CG1-CG 4.11Å; V180-K186 VanDerWaalsContact O-CB 3.26Å; V180-K186 WeakPolarHBondContact O-CB 3.41Å; N181-K186 PolarHBondContact OD1-NZ 3.18Å; S183-K186 PolarHBondContact O-N 3.31Å; V184-K186 PolarHBondContact O-N 3.4Å; K186-K188 PolarHBondContact O-N 2.95Å; K186-F189 PolarHBondContact O-N 2.97Å; K186-F189 VanDerWaalsContact O-N 3.08Å; K186-D190 HydrophobicContact CD-CB 3.9Å; K186-D190 WeakPolarHBondContact CE-OD2 3.24Å; K186-D190 IonicContact NZ-OD2 3.93Å; K186-D190 PolarHBondContact NZ-OD2 3.3Å; K186-D190 WeakPolarHBondContact O-CB 3.26Å; K186-D190 PolarHBondContact O-N 2.9Å; K186-N191 PolarHBondContact NZ-OD1 2.87Å |
| 187 | S | 94.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -54.5 | -45.5 | -169.1 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | N181 S183 F189 N191 Y432 | N181-S187 WeakPolarHBondContact O-CB 3.42Å; N181-S187 PolarHBondContact O-N 3.21Å; S183-S187 PolarHBondContact O-N 2.79Å; S183-S187 PolarHBondContact O-OG 3.47Å; S187-F189 VanDerWaalsContact C-N 3.34Å; S187-F189 PolarHBondContact O-N 3.02Å; S187-N191 VanDerWaalsContact O-CB 3.27Å; S187-N191 WeakPolarHBondContact O-CB 3.25Å; S187-N191 PolarHBondContact O-N 3.21Å; S187-Y432 PolarHBondContact OG-OH 3.22Å |
| 188 | K | 95.5 | Very high | 97.1 | Very high | 57 Ų | 57 | 27.9 Ų | 27.9 | 25% | 0.248 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -80.6 | -11.8 | -177.5 | -65 | -50.2 | -169.6 | -149.6 | 0 | 114.9 | V184 K186 L192 Y193 D223 Y432 | V184-K188 WeakPolarHBondContact O-CB 3.46Å; V184-K188 PolarHBondContact O-N 2.91Å; K186-K188 PolarHBondContact O-N 2.95Å; K188-L192 WeakPolarHBondContact O-CB 3.35Å; K188-Y193 VanDerWaalsContact O-CD2 3.24Å; K188-Y193 WeakPolarHBondContact O-CD2 3.41Å; K188-Y193 WeakPolarHBondContact O-CE2 3.48Å; K188-D223 IonicContact NZ-OD1 3.65Å; K188-D223 PolarHBondContact NZ-OD1 3.3Å; K188-D223 IonicContact NZ-OD2 2.76Å; K188-D223 PolarHBondContact NZ-OD2 2.97Å; K188-Y432 HydrophobicContact CD-CD2 3.84Å; K188-Y432 HydrophobicContact CD-CE2 3.83Å; K188-Y432 HydrophobicContact CG-CD2 3.25Å; K188-Y432 HydrophobicContact CG-CE2 3.29Å; K188-Y432 HydrophobicContact CG-CG 4.15Å |
| 189 | F | 96.4 | Very high | 97.1 | Very high | 56 Ų | 56 | 27.9 Ų | 27.9 | 25% | 0.246 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -104.6 | -56.5 | 178.5 | -67.7 | -104.9 | 0 | 0 | 0 | 110.1 | T185 K186 S187 Y193 G194 V357 N360 | T185-F189 HydrophobicContact CG2-CE2 4.29Å; T185-F189 WeakPolarHBondContact O-CB 3.47Å; T185-F189 WeakPolarHBondContact O-CD2 3.35Å; K186-F189 PolarHBondContact O-N 2.97Å; K186-F189 VanDerWaalsContact O-N 3.08Å; S187-F189 VanDerWaalsContact C-N 3.34Å; S187-F189 PolarHBondContact O-N 3.02Å; F189-Y193 HydrophobicContact CB-CD2 4.22Å; F189-Y193 AromaticContact CD1-CD2 3.77Å; F189-Y193 HydrophobicContact CD1-CD2 3.77Å; F189-Y193 AromaticContact CD1-CE2 3.97Å; F189-Y193 HydrophobicContact CD1-CE2 3.97Å; F189-Y193 HydrophobicContact CE1-CD2 4.36Å; F189-Y193 HydrophobicContact CE1-CE2 4.14Å; F189-Y193 HydrophobicContact CG-CD2 4.05Å; F189-Y193 HydrophobicContact CG-CE2 4.25Å; F189-Y193 CarbonylContact O-C 3.55Å; F189-Y193 WeakPolarHBondContact O-CA 3.41Å; F189-Y193 WeakPolarHBondContact O-CB 3.41Å; F189-Y193 PolarHBondContact O-N 3.21Å; F189-G194 PolarHBondContact O-N 3.01Å; F189-V357 HydrophobicContact CB-CG1 4.42Å; F189-V357 VanDerWaalsContact O-CG1 3.32Å; F189-V357 WeakPolarHBondContact O-CG1 3.41Å; F189-N360 HydrophobicContact CB-CB 4.36Å |
| 190 | D | 95 | Very high | 97.1 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 7% | 0.07 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -62.7 | -62.1 | -178.2 | -166.2 | 29.9 | 0 | 0 | 0 | 111.8 | K186 L192 G194 C195 H353 V357 S361 | K186-D190 HydrophobicContact CD-CB 3.9Å; K186-D190 WeakPolarHBondContact CE-OD2 3.24Å; K186-D190 IonicContact NZ-OD2 3.93Å; K186-D190 PolarHBondContact NZ-OD2 3.3Å; K186-D190 WeakPolarHBondContact O-CB 3.26Å; K186-D190 PolarHBondContact O-N 2.9Å; D190-L192 VanDerWaalsContact C-N 3.34Å; D190-L192 PolarHBondContact O-N 3.23Å; D190-G194 VanDerWaalsContact O-CA 3.27Å; D190-G194 WeakPolarHBondContact O-CA 3.19Å; D190-G194 PolarHBondContact O-N 3.2Å; D190-C195 PolarHBondContact O-N 3.48Å; D190-H353 PolarHBondContact O-CE1 3.04Å; D190-H353 PolarHBondContact O-ND1 3.14Å; D190-H353 IonicContact OD1-CE1 2.84Å; D190-H353 PolarHBondContact OD1-CE1 2.97Å; D190-H353 VanDerWaalsContact OD1-CE1 3.25Å; D190-H353 IonicContact OD1-CG 3.84Å; D190-H353 IonicContact OD1-ND1 3.92Å; D190-H353 PolarHBondContact OD1-ND1 3.41Å; D190-V357 VanDerWaalsContact CA-CG1 3.44Å; D190-V357 HydrophobicContact CB-CG1 4.35Å; D190-S361 WeakPolarHBondContact CB-OG 3.41Å |
| 191 | N | 92.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 30.7 Ų | 30.7 | 10% | 0.102 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -69.6 | -36.1 | -173 | -52.5 | -10.9 | 0 | 0 | 0 | 110.8 | K186 S187 C195 D223 V224 | K186-N191 PolarHBondContact NZ-OD1 2.87Å; S187-N191 VanDerWaalsContact O-CB 3.27Å; S187-N191 WeakPolarHBondContact O-CB 3.25Å; S187-N191 PolarHBondContact O-N 3.21Å; N191-C195 VanDerWaalsContact O-CB 3.29Å; N191-C195 WeakPolarHBondContact O-CB 3.43Å; N191-C195 PolarHBondContact O-SG 3.31Å; N191-C195 VanDerWaalsContact O-SG 3.38Å; N191-D223 HydrophobicContact CB-CB 3.81Å; N191-V224 HydrophobicContact CB-CG2 3.86Å; N191-V224 VanDerWaalsContact O-CA 3.23Å; N191-V224 WeakPolarHBondContact O-CA 3.11Å; N191-V224 PolarHBondContact O-N 3.29Å |
| 192 | L | 96.9 | Very high | 97.3 | Very high | 25 Ų | 25 | 30.5 Ų | 30.5 | 13% | 0.131 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -88.4 | -65.1 | -177.6 | 177.2 | 65.8 | 0 | 0 | 0 | 112.9 | K188 D190 R196 D223 K226 G227 | K188-L192 WeakPolarHBondContact O-CB 3.35Å; D190-L192 VanDerWaalsContact C-N 3.34Å; D190-L192 PolarHBondContact O-N 3.23Å; L192-R196 VanDerWaalsContact O-CB 3.29Å; L192-R196 WeakPolarHBondContact O-CB 3.35Å; L192-R196 PolarHBondContact O-N 3.37Å; L192-R196 VanDerWaalsContact O-N 3.12Å; L192-D223 HydrophobicContact CB-CB 4.34Å; L192-D223 WeakPolarHBondContact CD1-O 3.45Å; L192-K226 HydrophobicContact CD1-CB 3.69Å; L192-G227 WeakPolarHBondContact O-CA 3.19Å |
| 193 | Y | 98.3 | Very high | 97.4 | Very high | 85 Ų | 85 | 27.3 Ų | 27.3 | 33% | 0.333 | 13% | 0.128 | S | C | . | . | I | π-helix | trans | -74.7 | -36.1 | -174 | -54.6 | -44.9 | 0 | 0 | 0 | 112.1 | K188 F189 R196 E197 | K188-Y193 VanDerWaalsContact O-CD2 3.24Å; K188-Y193 WeakPolarHBondContact O-CD2 3.41Å; K188-Y193 WeakPolarHBondContact O-CE2 3.48Å; F189-Y193 HydrophobicContact CB-CD2 4.22Å; F189-Y193 AromaticContact CD1-CD2 3.77Å; F189-Y193 HydrophobicContact CD1-CD2 3.77Å; F189-Y193 AromaticContact CD1-CE2 3.97Å; F189-Y193 HydrophobicContact CD1-CE2 3.97Å; F189-Y193 HydrophobicContact CE1-CD2 4.36Å; F189-Y193 HydrophobicContact CE1-CE2 4.14Å; F189-Y193 HydrophobicContact CG-CD2 4.05Å; F189-Y193 HydrophobicContact CG-CE2 4.25Å; F189-Y193 CarbonylContact O-C 3.55Å; F189-Y193 WeakPolarHBondContact O-CA 3.41Å; F189-Y193 WeakPolarHBondContact O-CB 3.41Å; F189-Y193 PolarHBondContact O-N 3.21Å; Y193-R196 WeakPolarHBondContact O-CB 3.44Å; Y193-R196 PolarHBondContact O-N 3.49Å; Y193-E197 WeakPolarHBondContact O-CG 3.41Å; Y193-E197 PolarHBondContact O-N 3.21Å |
| 194 | G | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -63 | -48.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F189 D190 R196 E197 S198 H353 | F189-G194 PolarHBondContact O-N 3.01Å; D190-G194 VanDerWaalsContact O-CA 3.27Å; D190-G194 WeakPolarHBondContact O-CA 3.19Å; D190-G194 PolarHBondContact O-N 3.2Å; G194-R196 VanDerWaalsContact C-N 3.3Å; G194-R196 PolarHBondContact O-N 3.35Å; G194-E197 PolarHBondContact O-N 3.32Å; G194-S198 VanDerWaalsContact O-CB 3.31Å; G194-S198 WeakPolarHBondContact O-CB 3.39Å; G194-S198 PolarHBondContact O-N 3.3Å; G194-S198 PolarHBondContact O-OG 3.25Å; G194-H353 VanDerWaalsContact C-NE2 3.28Å; G194-H353 VanDerWaalsContact CA-CG 3.46Å; G194-H353 PolarHBondContact O-CD2 3.37Å; G194-H353 VanDerWaalsContact O-CD2 3.31Å |
| 195 | C | 97.9 | Very high | 97.5 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.9 | -30.4 | 176.3 | -66.3 | 0 | 0 | 0 | 0 | 112.6 | D190 N191 E197 L199 V224 I299 H353 | D190-C195 PolarHBondContact O-N 3.48Å; N191-C195 VanDerWaalsContact O-CB 3.29Å; N191-C195 WeakPolarHBondContact O-CB 3.43Å; N191-C195 PolarHBondContact O-SG 3.31Å; N191-C195 VanDerWaalsContact O-SG 3.38Å; C195-E197 VanDerWaalsContact C-N 3.3Å; C195-E197 PolarHBondContact O-N 3.06Å; C195-L199 VanDerWaalsContact O-CB 3.25Å; C195-L199 WeakPolarHBondContact O-CB 3.38Å; C195-L199 PolarHBondContact O-N 3.28Å; C195-L199 VanDerWaalsContact O-N 3.09Å; C195-V224 HydrophobicContact CB-CG1 4.16Å; C195-I299 HydrophobicContact CB-CD1 4.19Å; C195-H353 PolarHBondContact N-NE2 3.04Å; C195-H353 PolarHBondContact SG-NE2 3.09Å |
| 196 | R | 98.7 | Very high | 97.5 | Very high | 78 Ų | 78 | 33 Ų | 33 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62 | -36.6 | 174 | -173.3 | 174.3 | 71.3 | -169.6 | -0.2 | 112.6 | L192 Y193 G194 G227 Q230 A231 | L192-R196 VanDerWaalsContact O-CB 3.29Å; L192-R196 WeakPolarHBondContact O-CB 3.35Å; L192-R196 PolarHBondContact O-N 3.37Å; L192-R196 VanDerWaalsContact O-N 3.12Å; Y193-R196 WeakPolarHBondContact O-CB 3.44Å; Y193-R196 PolarHBondContact O-N 3.49Å; G194-R196 VanDerWaalsContact C-N 3.3Å; G194-R196 PolarHBondContact O-N 3.35Å; R196-G227 WeakPolarHBondContact CA-O 3.22Å; R196-Q230 HydrophobicContact CG-CB 4.49Å; R196-A231 HydrophobicContact CG-CB 4.02Å; R196-A231 WeakPolarHBondContact O-CB 3.28Å |
| 197 | E | 98.5 | Very high | 97.5 | Very high | 117 Ų | 117 | 34.4 Ų | 34.4 | 55% | 0.547 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -80.3 | -47.6 | 176.7 | -65.6 | -82.6 | -178.7 | 0 | 0 | 111.2 | Y193 G194 C195 P354 | Y193-E197 WeakPolarHBondContact O-CG 3.41Å; Y193-E197 PolarHBondContact O-N 3.21Å; G194-E197 PolarHBondContact O-N 3.32Å; C195-E197 VanDerWaalsContact C-N 3.3Å; C195-E197 PolarHBondContact O-N 3.06Å; E197-P354 HydrophobicContact CB-CG 3.87Å; E197-P354 HydrophobicContact CG-CG 4.07Å |
| 198 | S | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -89.3 | -22 | -162.5 | 66.9 | 0 | 0 | 0 | 0 | 115.6 | G194 D201 G202 N346 G352 H353 | G194-S198 VanDerWaalsContact O-CB 3.31Å; G194-S198 WeakPolarHBondContact O-CB 3.39Å; G194-S198 PolarHBondContact O-N 3.3Å; G194-S198 PolarHBondContact O-OG 3.25Å; S198-D201 PolarHBondContact O-N 2.87Å; S198-G202 PolarHBondContact O-N 3.12Å; S198-N346 WeakPolarHBondContact OG-CB 3.23Å; S198-G352 WeakPolarHBondContact CB-O 3.12Å; S198-H353 PolarHBondContact OG-CD2 3.15Å; S198-H353 PolarHBondContact OG-NE2 3.15Å |
| 199 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.3 | -51.4 | 175.7 | 170.4 | 66.1 | 0 | 0 | 0 | 110.8 | C195 D201 G202 L203 C228 L232 V273 I299 V345 | C195-L199 VanDerWaalsContact O-CB 3.25Å; C195-L199 WeakPolarHBondContact O-CB 3.38Å; C195-L199 PolarHBondContact O-N 3.28Å; C195-L199 VanDerWaalsContact O-N 3.09Å; L199-D201 VanDerWaalsContact C-N 3.3Å; L199-D201 PolarHBondContact O-N 3.18Å; L199-G202 PolarHBondContact O-N 2.98Å; L199-L203 HydrophobicContact CD1-CD1 4.09Å; L199-L203 HydrophobicContact CD1-CG 4.35Å; L199-L203 HydrophobicContact CG-CD1 4.01Å; L199-L203 PolarHBondContact O-N 3.5Å; L199-C228 HydrophobicContact CD2-CB 3.48Å; L199-C228 VanDerWaalsContact CD2-CB 3.48Å; L199-L232 HydrophobicContact CD2-CD1 4.05Å; L199-L232 HydrophobicContact CD2-CG 4.13Å; L199-V273 HydrophobicContact CD1-CG1 3.78Å; L199-V273 HydrophobicContact CD1-CG2 4.1Å; L199-V273 HydrophobicContact CD2-CG1 4.13Å; L199-V273 HydrophobicContact CD2-CG2 4.15Å; L199-I299 HydrophobicContact CB-CD1 3.78Å; L199-I299 HydrophobicContact CD1-CD1 4.02Å; L199-I299 HydrophobicContact CG-CD1 4.47Å; L199-V345 HydrophobicContact CD1-CG1 3.86Å |
| 200 | V | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.3 | -35.2 | -176.5 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | L203 K204 L211 A231 Y235 | V200-L203 PolarHBondContact O-N 2.65Å; V200-K204 HydrophobicContact CG1-CG 3.89Å; V200-K204 VanDerWaalsContact O-CB 3.23Å; V200-K204 WeakPolarHBondContact O-CB 3.33Å; V200-K204 WeakPolarHBondContact O-CG 2.95Å; V200-K204 PolarHBondContact O-N 2.89Å; V200-L211 HydrophobicContact CB-CD1 4.41Å; V200-L211 HydrophobicContact CG1-CD1 3.64Å; V200-L211 HydrophobicContact CG2-CD1 3.94Å; V200-A231 HydrophobicContact CG2-CB 3.88Å; V200-Y235 HydrophobicContact CB-CE2 4.3Å; V200-Y235 HydrophobicContact CG1-CD2 4.11Å; V200-Y235 HydrophobicContact CG1-CE1 4.24Å; V200-Y235 HydrophobicContact CG1-CE2 3.66Å; V200-Y235 HydrophobicContact CG2-CD2 4.24Å; V200-Y235 HydrophobicContact CG2-CE2 4.3Å |
| 201 | D | 98.7 | Very high | 98.1 | Very high | 53 Ų | 53 | 41.4 Ų | 41.4 | 28% | 0.283 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58 | -49.8 | 173 | -168.2 | 19.7 | 0 | 0 | 0 | 111.3 | S198 L199 L203 K204 R205 A350 | S198-D201 PolarHBondContact O-N 2.87Å; L199-D201 VanDerWaalsContact C-N 3.3Å; L199-D201 PolarHBondContact O-N 3.18Å; D201-L203 PolarHBondContact O-N 3.17Å; D201-K204 PolarHBondContact O-N 3.46Å; D201-R205 WeakPolarHBondContact O-CG 3.23Å; D201-R205 PolarHBondContact O-N 2.89Å; D201-R205 IonicContact OD1-CZ 3.44Å; D201-R205 IonicContact OD1-NE 2.82Å; D201-R205 PolarHBondContact OD1-NE 3.5Å; D201-R205 IonicContact OD1-NH2 3.73Å; D201-R205 PolarHBondContact OD1-NH2 3.26Å; D201-R205 IonicContact OD2-CZ 3.79Å; D201-R205 IonicContact OD2-NE 3.81Å; D201-R205 PolarHBondContact OD2-NE 2.86Å; D201-R205 IonicContact OD2-NH2 3.77Å; D201-R205 PolarHBondContact OD2-NH2 3.37Å; D201-A350 HydrophobicContact CB-CB 4.18Å |
| 202 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.4 | -50.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S198 L199 K204 A206 | S198-G202 PolarHBondContact O-N 3.12Å; L199-G202 PolarHBondContact O-N 2.98Å; G202-K204 VanDerWaalsContact C-N 3.31Å; G202-K204 PolarHBondContact O-N 3.49Å; G202-A206 WeakPolarHBondContact O-CB 3.43Å; G202-A206 PolarHBondContact O-N 2.97Å |
| 203 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58 | -43.8 | 177 | -76.4 | 168.4 | 0 | 0 | 0 | 112 | L199 V200 D201 T207 L211 L232 I271 I295 L339 | L199-L203 HydrophobicContact CD1-CD1 4.09Å; L199-L203 HydrophobicContact CD1-CG 4.35Å; L199-L203 HydrophobicContact CG-CD1 4.01Å; L199-L203 PolarHBondContact O-N 3.5Å; V200-L203 PolarHBondContact O-N 2.65Å; D201-L203 PolarHBondContact O-N 3.17Å; L203-T207 PolarHBondContact O-N 2.62Å; L203-T207 PolarHBondContact O-OG1 3.45Å; L203-L211 HydrophobicContact CD1-CD2 4.43Å; L203-L232 HydrophobicContact CD1-CD2 4.09Å; L203-I271 HydrophobicContact CD1-CG2 4.32Å; L203-I271 HydrophobicContact CD2-CG2 4.18Å; L203-I295 HydrophobicContact CD2-CG2 3.95Å; L203-L339 HydrophobicContact CD2-CD1 3.86Å |
| 204 | K | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 43.3 Ų | 43.3 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.1 | -50.1 | -176.9 | -75.6 | -68.9 | -169.8 | 176.2 | 0 | 111.8 | V200 D201 G202 A206 T207 D208 I209 | V200-K204 HydrophobicContact CG1-CG 3.89Å; V200-K204 VanDerWaalsContact O-CB 3.23Å; V200-K204 WeakPolarHBondContact O-CB 3.33Å; V200-K204 WeakPolarHBondContact O-CG 2.95Å; V200-K204 PolarHBondContact O-N 2.89Å; D201-K204 PolarHBondContact O-N 3.46Å; G202-K204 VanDerWaalsContact C-N 3.31Å; G202-K204 PolarHBondContact O-N 3.49Å; K204-A206 PolarHBondContact O-N 3.03Å; K204-T207 PolarHBondContact O-N 2.77Å; K204-D208 WeakPolarHBondContact O-CA 3.38Å; K204-D208 PolarHBondContact O-N 3.03Å; K204-I209 WeakPolarHBondContact CE-O 3.41Å; K204-I209 PolarHBondContact NZ-O 2.67Å |
| 205 | R | 98.3 | Very high | 98.5 | Very high | 97 Ų | 97 | 44.1 Ų | 44.1 | 37% | 0.366 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.8 | -32.9 | 178.5 | -66.2 | -174.8 | -165.1 | -167.9 | 13.5 | 112.7 | D201 K322 C349 H351 | D201-R205 WeakPolarHBondContact O-CG 3.23Å; D201-R205 PolarHBondContact O-N 2.89Å; D201-R205 IonicContact OD1-CZ 3.44Å; D201-R205 IonicContact OD1-NE 2.82Å; D201-R205 PolarHBondContact OD1-NE 3.5Å; D201-R205 IonicContact OD1-NH2 3.73Å; D201-R205 PolarHBondContact OD1-NH2 3.26Å; D201-R205 IonicContact OD2-CZ 3.79Å; D201-R205 IonicContact OD2-NE 3.81Å; D201-R205 PolarHBondContact OD2-NE 2.86Å; D201-R205 IonicContact OD2-NH2 3.77Å; D201-R205 PolarHBondContact OD2-NH2 3.37Å; R205-K322 PolarHBondContact O-NZ 3.14Å; R205-C349 WeakPolarHBondContact CB-O 3.39Å; R205-H351 PolarHBondContact NH1-CD2 2.8Å; R205-H351 PolarHBondContact NH1-CE1 3.21Å; R205-H351 PolarHBondContact NH1-ND1 3.37Å; R205-H351 PolarHBondContact NH1-NE2 3.2Å; R205-H351 VanDerWaalsContact NH1-NE2 3.11Å; R205-H351 PolarHBondContact NH2-ND1 3.3Å |
| 206 | A | 98.5 | Very high | 98.6 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 5% | 0.05 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.2 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G202 K204 K322 V325 L339 C349 | G202-A206 WeakPolarHBondContact O-CB 3.43Å; G202-A206 PolarHBondContact O-N 2.97Å; K204-A206 PolarHBondContact O-N 3.03Å; A206-K322 WeakPolarHBondContact O-CE 3.38Å; A206-K322 PolarHBondContact O-NZ 3.39Å; A206-V325 HydrophobicContact CB-CG2 3.82Å; A206-L339 HydrophobicContact CB-CD1 3.79Å; A206-L339 HydrophobicContact CB-CD2 3.77Å; A206-L339 HydrophobicContact CB-CG 4.37Å; A206-C349 HydrophobicContact CB-CB 4.1Å |
| 207 | T | 98.4 | Very high | 98.6 | Very high | 34 Ų | 34 | 40.1 Ų | 40.1 | 21% | 0.209 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -130.2 | -11.4 | -161.7 | 67.8 | 0 | 0 | 0 | 0 | 116.1 | L203 K204 I209 I295 I337 L339 | L203-T207 PolarHBondContact O-N 2.62Å; L203-T207 PolarHBondContact O-OG1 3.45Å; K204-T207 PolarHBondContact O-N 2.77Å; T207-I209 PolarHBondContact O-N 2.94Å; T207-I209 WeakPolarHBondContact OG1-CB 3.2Å; T207-I209 VanDerWaalsContact OG1-CG2 3.24Å; T207-I209 WeakPolarHBondContact OG1-CG2 3.26Å; T207-I209 PolarHBondContact OG1-N 3.33Å; T207-I295 HydrophobicContact CG2-CD1 3.81Å; T207-I295 HydrophobicContact CG2-CG1 4.37Å; T207-I337 HydrophobicContact CG2-CG2 4.29Å; T207-L339 HydrophobicContact CG2-CD1 4.33Å; T207-L339 HydrophobicContact CG2-CD2 3.83Å |
| 208 | D | 98.2 | Very high | 98.6 | Very high | 128 Ų | 128 | 34.6 Ų | 34.6 | 68% | 0.684 | 19% | 0.194 | S | C | * | . | trans | 52.4 | 16.3 | -171.9 | -66.1 | -73.2 | 0 | 0 | 0 | 114.2 | K204 | K204-D208 WeakPolarHBondContact O-CA 3.38Å; K204-D208 PolarHBondContact O-N 3.03Å | ||
| 209 | I | 98.3 | Very high | 98.6 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 14% | 0.138 | 19% | 0.194 | C | C | . | . | trans | -63.5 | 141.1 | -170 | -167.3 | 170.4 | 0 | 0 | 0 | 112.1 | K204 T207 L211 K270 I271 I295 | K204-I209 WeakPolarHBondContact CE-O 3.41Å; K204-I209 PolarHBondContact NZ-O 2.67Å; T207-I209 PolarHBondContact O-N 2.94Å; T207-I209 WeakPolarHBondContact OG1-CB 3.2Å; T207-I209 VanDerWaalsContact OG1-CG2 3.24Å; T207-I209 WeakPolarHBondContact OG1-CG2 3.26Å; T207-I209 PolarHBondContact OG1-N 3.33Å; I209-L211 HydrophobicContact CG2-CD2 4.02Å; I209-L211 PolarHBondContact O-N 3.15Å; I209-K270 HydrophobicContact CD1-CG 4.32Å; I209-I271 HydrophobicContact CD1-CD1 4.46Å; I209-I271 HydrophobicContact CD1-CG1 4.49Å; I209-I271 HydrophobicContact CG2-CD1 4.48Å; I209-I295 HydrophobicContact CB-CD1 3.96Å; I209-I295 HydrophobicContact CD1-CD1 3.39Å; I209-I295 HydrophobicContact CD1-CG1 4.45Å; I209-I295 HydrophobicContact CG1-CD1 4.22Å; I209-I295 HydrophobicContact CG2-CD1 3.87Å | ||
| 210 | M | 98.6 | Very high | 98.6 | Very high | 123 Ų | 123 | 34.7 Ų | 34.7 | 61% | 0.606 | 20% | 0.196 | S | C | * | . | trans | -71.7 | 112 | 164.5 | -177.3 | 175.6 | -176.2 | 0 | 0 | 110.4 | A212 K214 | M210-A212 HydrophobicContact CE-CB 3.69Å; M210-A212 HydrophobicContact CG-CB 4.27Å; M210-K214 WeakPolarHBondContact O-CG 3.27Å; M210-K214 PolarHBondContact O-NZ 3.28Å; M210-K214 VanDerWaalsContact O-NZ 3.13Å | ||
| 211 | L | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | trans | -73.6 | -39.3 | 176 | -63.5 | 179.6 | 0 | 0 | 0 | 112.6 | V200 L203 I209 G213 K214 L232 Y235 I271 | V200-L211 HydrophobicContact CB-CD1 4.41Å; V200-L211 HydrophobicContact CG1-CD1 3.64Å; V200-L211 HydrophobicContact CG2-CD1 3.94Å; L203-L211 HydrophobicContact CD1-CD2 4.43Å; I209-L211 HydrophobicContact CG2-CD2 4.02Å; I209-L211 PolarHBondContact O-N 3.15Å; L211-G213 PolarHBondContact O-N 2.95Å; L211-K214 WeakPolarHBondContact O-CB 3.5Å; L211-K214 PolarHBondContact O-N 3.39Å; L211-L232 HydrophobicContact CD1-CD2 4.45Å; L211-L232 HydrophobicContact CD2-CD2 4.2Å; L211-Y235 HydrophobicContact CD1-CD1 4Å; L211-Y235 HydrophobicContact CD1-CD2 4.26Å; L211-Y235 HydrophobicContact CD1-CG 3.74Å; L211-I271 HydrophobicContact CD2-CD1 3.39Å | ||
| 212 | A | 98.7 | Very high | 98.5 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 31% | 0.306 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 131.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M210 K214 Y235 | M210-A212 HydrophobicContact CE-CB 3.69Å; M210-A212 HydrophobicContact CG-CB 4.27Å; A212-K214 PolarHBondContact O-N 3.02Å; A212-Y235 VanDerWaalsContact CA-O 3.24Å; A212-Y235 WeakPolarHBondContact CA-O 3.49Å; A212-Y235 VanDerWaalsContact CB-O 3.29Å; A212-Y235 WeakPolarHBondContact CB-O 3.43Å; A212-Y235 PolarHBondContact N-O 2.93Å |
| 213 | G | 98.3 | Very high | 98.3 | Very high | 72 Ų | 72 | 35.3 Ų | 35.3 | 74% | 0.742 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76 | -1.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L211 G236 | L211-G213 PolarHBondContact O-N 2.95Å; G213-G236 PolarHBondContact N-O 2.98Å |
| 214 | K | 98.6 | Very high | 98.2 | Very high | 59 Ų | 59 | 36.6 Ų | 36.6 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | trans | -83.9 | 152.6 | 172 | -59.5 | -58 | -173.9 | -64.8 | 0 | 111.1 | M210 L211 A212 A237 R238 K270 I271 | M210-K214 WeakPolarHBondContact O-CG 3.27Å; M210-K214 PolarHBondContact O-NZ 3.28Å; M210-K214 VanDerWaalsContact O-NZ 3.13Å; L211-K214 WeakPolarHBondContact O-CB 3.5Å; L211-K214 PolarHBondContact O-N 3.39Å; A212-K214 PolarHBondContact O-N 3.02Å; K214-A237 CarbonylContact O-C 3.53Å; K214-A237 WeakPolarHBondContact O-CA 3.39Å; K214-R238 PolarHBondContact O-N 2.87Å; K214-K270 HydrophobicContact CB-CB 4.42Å; K214-K270 HydrophobicContact CD-CB 4.19Å; K214-K270 HydrophobicContact CD-CG 3.99Å; K214-I271 HydrophobicContact CB-CD1 4.3Å | ||
| 215 | V | 98.9 | Very high | 98.2 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 11% | 0.109 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 123.5 | 163.6 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | R238 L240 R268 A269 K270 I271 | V215-R238 CarbonylContact C-O 3.48Å; V215-R238 VanDerWaalsContact CA-O 3.29Å; V215-R238 WeakPolarHBondContact CA-O 3.28Å; V215-L240 HydrophobicContact CG1-CD1 3.61Å; V215-L240 HydrophobicContact CG1-CD2 4.49Å; V215-L240 HydrophobicContact CG1-CG 3.74Å; V215-R268 WeakPolarHBondContact CB-O 3.35Å; V215-A269 HydrophobicContact CG1-CB 3.99Å; V215-K270 PolarHBondContact O-N 3.02Å; V215-I271 PolarHBondContact O-N 2.88Å |
| 216 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | L232 A237 R238 V239 L240 I271 | A216-L232 HydrophobicContact CB-CD1 3.91Å; A216-L232 HydrophobicContact CB-CD2 4.22Å; A216-L232 HydrophobicContact CB-CG 4.46Å; A216-A237 HydrophobicContact CB-CB 4.3Å; A216-R238 PolarHBondContact N-O 3.47Å; A216-V239 CarbonylContact O-C 3.55Å; A216-V239 VanDerWaalsContact O-CA 3.26Å; A216-V239 WeakPolarHBondContact O-CA 3.38Å; A216-L240 PolarHBondContact O-N 3.1Å; A216-I271 CarbonylContact C-O 3.6Å; A216-I271 VanDerWaalsContact CA-O 3.3Å; A216-I271 WeakPolarHBondContact CA-O 3.38Å; A216-I271 HydrophobicContact CB-CB 4.02Å; A216-I271 HydrophobicContact CB-CG2 4.44Å |
| 217 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.5 | 174.3 | -176.8 | 149.5 | 0 | 0 | 0 | 109.3 | A219 L240 T242 M262 G265 A269 I271 F272 V273 | L217-A219 HydrophobicContact CD2-CB 4.22Å; L217-L240 WeakPolarHBondContact CA-O 3.32Å; L217-L240 HydrophobicContact CB-CB 4.36Å; L217-L240 HydrophobicContact CD1-CB 4.47Å; L217-L240 HydrophobicContact CG-CB 4.38Å; L217-T242 HydrophobicContact CD1-CG2 3.91Å; L217-T242 HydrophobicContact CD2-CG2 3.98Å; L217-T242 HydrophobicContact CG-CG2 4.17Å; L217-M262 HydrophobicContact CD1-SD 4.11Å; L217-M262 HydrophobicContact CD2-CE 3.44Å; L217-M262 VanDerWaalsContact CD2-CE 3.44Å; L217-M262 HydrophobicContact CD2-SD 3.78Å; L217-G265 VanDerWaalsContact CD1-CA 3.44Å; L217-A269 HydrophobicContact CB-CB 3.76Å; L217-I271 PolarHBondContact N-O 3.46Å; L217-F272 HydrophobicContact CB-CD1 4.02Å; L217-F272 HydrophobicContact CB-CE1 4.27Å; L217-F272 HydrophobicContact CD1-CE1 4.47Å; L217-F272 HydrophobicContact CD2-CD1 4.23Å; L217-F272 WeakPolarHBondContact O-CA 3.5Å; L217-V273 PolarHBondContact O-N 3.32Å |
| 218 | V | 99 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 117.9 | 172.2 | -176 | 0 | 0 | 0 | 0 | 108.2 | C228 L232 V239 L240 I241 T242 V273 A275 | V218-C228 HydrophobicContact CG1-CB 4.12Å; V218-C228 HydrophobicContact CG2-CB 4.4Å; V218-L232 HydrophobicContact CG2-CD1 3.57Å; V218-V239 HydrophobicContact CG2-CG1 4.06Å; V218-L240 PolarHBondContact N-O 3.37Å; V218-I241 HydrophobicContact CB-CD1 3.94Å; V218-I241 WeakPolarHBondContact O-CA 3.44Å; V218-T242 PolarHBondContact O-N 2.71Å; V218-T242 VanDerWaalsContact O-N 3.11Å; V218-V273 CarbonylContact C-O 3.5Å; V218-V273 WeakPolarHBondContact CA-O 3.28Å; V218-V273 HydrophobicContact CG2-CB 4.4Å; V218-A275 HydrophobicContact CG1-CB 4.48Å |
| 219 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L217 T242 M262 V273 A275 T276 I281 | L217-A219 HydrophobicContact CD2-CB 4.22Å; A219-T242 VanDerWaalsContact CA-OG1 3.24Å; A219-T242 WeakPolarHBondContact CA-OG1 3.33Å; A219-T242 WeakPolarHBondContact CB-OG1 3.31Å; A219-M262 HydrophobicContact CB-CE 3.8Å; A219-V273 PolarHBondContact N-O 3.44Å; A219-A275 CarbonylContact O-C 3.59Å; A219-A275 WeakPolarHBondContact O-CA 3.45Å; A219-A275 PolarHBondContact O-N 3.34Å; A219-T276 VanDerWaalsContact C-CG2 3.49Å; A219-T276 HydrophobicContact CB-CG2 3.99Å; A219-T276 VanDerWaalsContact O-CG2 3.22Å; A219-T276 WeakPolarHBondContact O-CG2 3.34Å; A219-I281 HydrophobicContact CB-CG2 3.48Å; A219-I281 VanDerWaalsContact CB-CG2 3.48Å |
| 220 | G | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | trans | 91.5 | 136.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G225 T242 | G220-G225 WeakPolarHBondContact O-CA 3.36Å; G220-T242 WeakPolarHBondContact CA-O 3.38Å; G220-T242 PolarHBondContact N-O 2.81Å | ||
| 221 | Y | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 20 Ų | 20 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | trans | -127.3 | 35.8 | -179.6 | -157.7 | -109.2 | 0 | 0 | 0 | 112.1 | K226 I241 E243 N248 Q251 A252 Y257 | Y221-K226 HydrophobicContact CD1-CG 3.88Å; Y221-K226 HydrophobicContact CD2-CG 4.3Å; Y221-K226 HydrophobicContact CE1-CD 4.36Å; Y221-K226 HydrophobicContact CE1-CG 3.6Å; Y221-K226 HydrophobicContact CE2-CG 4.07Å; Y221-K226 HydrophobicContact CG-CG 4.23Å; Y221-K226 PolarHBondContact O-NZ 3.24Å; Y221-I241 HydrophobicContact CD2-CD1 3.73Å; Y221-I241 HydrophobicContact CD2-CG1 4.1Å; Y221-I241 HydrophobicContact CD2-CG2 4.03Å; Y221-I241 HydrophobicContact CE2-CD1 3.96Å; Y221-I241 HydrophobicContact CE2-CG1 4.31Å; Y221-I241 HydrophobicContact CG-CG2 4.14Å; Y221-E243 PolarHBondContact N-OE1 3.41Å; Y221-N248 WeakPolarHBondContact CD1-O 3.44Å; Y221-Q251 HydrophobicContact CD1-CB 4.39Å; Y221-Q251 HydrophobicContact CE1-CB 4.14Å; Y221-A252 HydrophobicContact CD1-CB 3.65Å; Y221-A252 HydrophobicContact CD2-CB 4.19Å; Y221-A252 VanDerWaalsContact CE1-CA 3.46Å; Y221-A252 HydrophobicContact CE1-CB 3.67Å; Y221-A252 HydrophobicContact CE2-CB 4.2Å; Y221-A252 HydrophobicContact CG-CB 3.92Å; Y221-Y257 HydrophobicContact CE2-CD2 4.16Å; Y221-Y257 HydrophobicContact CE2-CE2 4.21Å; Y221-Y257 WeakPolarHBondContact OH-CD2 3.24Å; Y221-Y257 WeakPolarHBondContact OH-CE2 3.29Å | ||
| 222 | G | 96.1 | Very high | 98.3 | Very high | 28 Ų | 28 | 20 Ų | 20 | 29% | 0.289 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -68 | -162.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V224 G225 K226 | G222-V224 PolarHBondContact O-N 3.43Å; G222-G225 PolarHBondContact O-N 3.01Å; G222-K226 WeakPolarHBondContact O-CB 3.25Å; G222-K226 VanDerWaalsContact O-CG 3.25Å; G222-K226 WeakPolarHBondContact O-CG 3.31Å; G222-K226 PolarHBondContact O-N 3.46Å |
| 223 | D | 95.4 | Very high | 98.3 | Very high | 33 Ų | 33 | 24 Ų | 24 | 18% | 0.176 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | -177.5 | -73.7 | -29.3 | 0 | 0 | 0 | 113 | K188 N191 L192 K226 G227 | K188-D223 IonicContact NZ-OD1 3.65Å; K188-D223 PolarHBondContact NZ-OD1 3.3Å; K188-D223 IonicContact NZ-OD2 2.76Å; K188-D223 PolarHBondContact NZ-OD2 2.97Å; N191-D223 HydrophobicContact CB-CB 3.81Å; L192-D223 HydrophobicContact CB-CB 4.34Å; L192-D223 WeakPolarHBondContact CD1-O 3.45Å; D223-K226 PolarHBondContact O-N 3.33Å; D223-G227 PolarHBondContact O-N 3.12Å |
| 224 | V | 96 | Very high | 98.3 | Very high | 28 Ų | 28 | 25 Ų | 25 | 17% | 0.17 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.5 | -56.2 | 172.5 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | N191 C195 G222 K226 G227 C228 A275 I299 | N191-V224 HydrophobicContact CB-CG2 3.86Å; N191-V224 VanDerWaalsContact O-CA 3.23Å; N191-V224 WeakPolarHBondContact O-CA 3.11Å; N191-V224 PolarHBondContact O-N 3.29Å; C195-V224 HydrophobicContact CB-CG1 4.16Å; G222-V224 PolarHBondContact O-N 3.43Å; V224-K226 VanDerWaalsContact C-N 3.28Å; V224-K226 PolarHBondContact O-N 3.34Å; V224-G227 PolarHBondContact O-N 3.09Å; V224-C228 PolarHBondContact O-N 2.99Å; V224-C228 PolarHBondContact O-SG 2.96Å; V224-A275 HydrophobicContact CB-CB 4.24Å; V224-A275 HydrophobicContact CG1-CB 3.69Å; V224-I299 HydrophobicContact CG1-CG2 3.7Å |
| 225 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.5 | -39.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G220 G222 C228 S229 | G220-G225 WeakPolarHBondContact O-CA 3.36Å; G222-G225 PolarHBondContact O-N 3.01Å; G225-C228 PolarHBondContact O-N 2.82Å; G225-S229 VanDerWaalsContact O-CB 3.23Å; G225-S229 WeakPolarHBondContact O-CB 3.44Å; G225-S229 PolarHBondContact O-N 2.75Å; G225-S229 PolarHBondContact O-OG 3.23Å |
| 226 | K | 98.8 | Very high | 98.3 | Very high | 38 Ų | 38 | 29.2 Ų | 29.2 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 173.6 | -77.5 | 174.3 | 175.5 | 80 | 0 | 111.6 | L192 Y221 G222 D223 V224 S229 Q230 Q251 | L192-K226 HydrophobicContact CD1-CB 3.69Å; Y221-K226 HydrophobicContact CD1-CG 3.88Å; Y221-K226 HydrophobicContact CD2-CG 4.3Å; Y221-K226 HydrophobicContact CE1-CD 4.36Å; Y221-K226 HydrophobicContact CE1-CG 3.6Å; Y221-K226 HydrophobicContact CE2-CG 4.07Å; Y221-K226 HydrophobicContact CG-CG 4.23Å; Y221-K226 PolarHBondContact O-NZ 3.24Å; G222-K226 WeakPolarHBondContact O-CB 3.25Å; G222-K226 VanDerWaalsContact O-CG 3.25Å; G222-K226 WeakPolarHBondContact O-CG 3.31Å; G222-K226 PolarHBondContact O-N 3.46Å; D223-K226 PolarHBondContact O-N 3.33Å; V224-K226 VanDerWaalsContact C-N 3.28Å; V224-K226 PolarHBondContact O-N 3.34Å; K226-S229 PolarHBondContact O-N 3.35Å; K226-Q230 WeakPolarHBondContact O-CB 3.36Å; K226-Q230 PolarHBondContact O-N 3.32Å; K226-Q251 VanDerWaalsContact CE-OE1 3.24Å |
| 227 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -49.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L192 R196 D223 V224 S229 Q230 A231 | L192-G227 WeakPolarHBondContact O-CA 3.19Å; R196-G227 WeakPolarHBondContact CA-O 3.22Å; D223-G227 PolarHBondContact O-N 3.12Å; V224-G227 PolarHBondContact O-N 3.09Å; G227-S229 PolarHBondContact O-N 2.94Å; G227-Q230 PolarHBondContact O-N 3.42Å; G227-A231 PolarHBondContact O-N 3.31Å |
| 228 | C | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.3 | -47.7 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | L199 V218 V224 G225 Q230 A231 L232 | L199-C228 HydrophobicContact CD2-CB 3.48Å; L199-C228 VanDerWaalsContact CD2-CB 3.48Å; V218-C228 HydrophobicContact CG1-CB 4.12Å; V218-C228 HydrophobicContact CG2-CB 4.4Å; V224-C228 PolarHBondContact O-N 2.99Å; V224-C228 PolarHBondContact O-SG 2.96Å; G225-C228 PolarHBondContact O-N 2.82Å; C228-Q230 VanDerWaalsContact C-N 3.34Å; C228-Q230 PolarHBondContact O-N 3.46Å; C228-A231 PolarHBondContact O-N 2.79Å; C228-L232 WeakPolarHBondContact O-CG 3.23Å; C228-L232 PolarHBondContact O-N 2.64Å |
| 229 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -36.8 | -178.4 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | G225 K226 G227 R233 I241 Y257 | G225-S229 VanDerWaalsContact O-CB 3.23Å; G225-S229 WeakPolarHBondContact O-CB 3.44Å; G225-S229 PolarHBondContact O-N 2.75Å; G225-S229 PolarHBondContact O-OG 3.23Å; K226-S229 PolarHBondContact O-N 3.35Å; G227-S229 PolarHBondContact O-N 2.94Å; S229-R233 VanDerWaalsContact O-CB 3.27Å; S229-R233 WeakPolarHBondContact O-CB 3.42Å; S229-R233 PolarHBondContact O-N 3.14Å; S229-R233 VanDerWaalsContact O-N 3.15Å; S229-I241 WeakPolarHBondContact OG-CD1 3.45Å; S229-Y257 VanDerWaalsContact C-OH 3.25Å; S229-Y257 PolarHBondContact O-OH 2.92Å |
| 230 | Q | 98.8 | Very high | 98.3 | Very high | 90 Ų | 90 | 36.1 Ų | 36.1 | 42% | 0.421 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.8 | -42.9 | 175.1 | -169.1 | 177.1 | 18.4 | 0 | 0 | 111.2 | R196 K226 G227 C228 S234 Y257 | R196-Q230 HydrophobicContact CG-CB 4.49Å; K226-Q230 WeakPolarHBondContact O-CB 3.36Å; K226-Q230 PolarHBondContact O-N 3.32Å; G227-Q230 PolarHBondContact O-N 3.42Å; C228-Q230 VanDerWaalsContact C-N 3.34Å; C228-Q230 PolarHBondContact O-N 3.46Å; Q230-S234 PolarHBondContact O-N 3.05Å; Q230-Y257 PolarHBondContact N-OH 3.3Å |
| 231 | A | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -49.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R196 V200 G227 C228 R233 S234 Y235 | R196-A231 HydrophobicContact CG-CB 4.02Å; R196-A231 WeakPolarHBondContact O-CB 3.28Å; V200-A231 HydrophobicContact CG2-CB 3.88Å; G227-A231 PolarHBondContact O-N 3.31Å; C228-A231 PolarHBondContact O-N 2.79Å; A231-R233 VanDerWaalsContact C-N 3.32Å; A231-R233 PolarHBondContact O-N 3.09Å; A231-S234 PolarHBondContact O-N 3.17Å; A231-S234 PolarHBondContact O-OG 2.88Å; A231-Y235 WeakPolarHBondContact O-CD2 3.48Å; A231-Y235 PolarHBondContact O-N 3.05Å |
| 232 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 179.8 | -71.1 | 164.5 | 0 | 0 | 0 | 111.6 | L199 L203 L211 A216 V218 C228 Y235 A237 V239 V273 | L199-L232 HydrophobicContact CD2-CD1 4.05Å; L199-L232 HydrophobicContact CD2-CG 4.13Å; L203-L232 HydrophobicContact CD1-CD2 4.09Å; L211-L232 HydrophobicContact CD1-CD2 4.45Å; L211-L232 HydrophobicContact CD2-CD2 4.2Å; A216-L232 HydrophobicContact CB-CD1 3.91Å; A216-L232 HydrophobicContact CB-CD2 4.22Å; A216-L232 HydrophobicContact CB-CG 4.46Å; V218-L232 HydrophobicContact CG2-CD1 3.57Å; C228-L232 WeakPolarHBondContact O-CG 3.23Å; C228-L232 PolarHBondContact O-N 2.64Å; L232-Y235 PolarHBondContact O-N 2.83Å; L232-A237 HydrophobicContact CB-CB 4.33Å; L232-A237 VanDerWaalsContact O-CB 3.29Å; L232-A237 WeakPolarHBondContact O-CB 3.4Å; L232-A237 PolarHBondContact O-N 2.88Å; L232-A237 VanDerWaalsContact O-N 3.12Å; L232-V239 HydrophobicContact CB-CG2 3.67Å; L232-V273 HydrophobicContact CD1-CG2 4.26Å |
| 233 | R | 98.8 | Very high | 98.5 | Very high | 121 Ų | 121 | 37.6 Ų | 37.6 | 46% | 0.457 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 176.8 | -172.9 | 178 | -175.1 | 174.5 | 3.6 | 112.4 | S229 A231 Y235 G236 V239 E255 Y257 | S229-R233 VanDerWaalsContact O-CB 3.27Å; S229-R233 WeakPolarHBondContact O-CB 3.42Å; S229-R233 PolarHBondContact O-N 3.14Å; S229-R233 VanDerWaalsContact O-N 3.15Å; A231-R233 VanDerWaalsContact C-N 3.32Å; A231-R233 PolarHBondContact O-N 3.09Å; R233-Y235 PolarHBondContact O-N 3.13Å; R233-G236 PolarHBondContact O-N 2.9Å; R233-V239 HydrophobicContact CB-CG2 4.18Å; R233-E255 PolarHBondContact NH1-O 3.4Å; R233-Y257 HydrophobicContact CB-CE1 4.24Å |
| 234 | S | 98.4 | Very high | 98.6 | Very high | 92 Ų | 92 | 41 Ų | 41 | 64% | 0.643 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.4 | -27.8 | 179.8 | 74.6 | 0 | 0 | 0 | 0 | 112.7 | Q230 A231 G236 | Q230-S234 PolarHBondContact O-N 3.05Å; A231-S234 PolarHBondContact O-N 3.17Å; A231-S234 PolarHBondContact O-OG 2.88Å; S234-G236 VanDerWaalsContact C-N 3.26Å; S234-G236 PolarHBondContact O-N 2.79Å |
| 235 | Y | 98.6 | Very high | 98.7 | Very high | 123 Ų | 123 | 42.8 Ų | 42.8 | 48% | 0.482 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 4.3 | 171.2 | -83.8 | -96.2 | 0 | 0 | 0 | 114.2 | V200 L211 A212 A231 L232 R233 | V200-Y235 HydrophobicContact CB-CE2 4.3Å; V200-Y235 HydrophobicContact CG1-CD2 4.11Å; V200-Y235 HydrophobicContact CG1-CE1 4.24Å; V200-Y235 HydrophobicContact CG1-CE2 3.66Å; V200-Y235 HydrophobicContact CG2-CD2 4.24Å; V200-Y235 HydrophobicContact CG2-CE2 4.3Å; L211-Y235 HydrophobicContact CD1-CD1 4Å; L211-Y235 HydrophobicContact CD1-CD2 4.26Å; L211-Y235 HydrophobicContact CD1-CG 3.74Å; A212-Y235 VanDerWaalsContact CA-O 3.24Å; A212-Y235 WeakPolarHBondContact CA-O 3.49Å; A212-Y235 VanDerWaalsContact CB-O 3.29Å; A212-Y235 WeakPolarHBondContact CB-O 3.43Å; A212-Y235 PolarHBondContact N-O 2.93Å; A231-Y235 WeakPolarHBondContact O-CD2 3.48Å; A231-Y235 PolarHBondContact O-N 3.05Å; L232-Y235 PolarHBondContact O-N 2.83Å; R233-Y235 PolarHBondContact O-N 3.13Å |
| 236 | G | 98.6 | Very high | 98.8 | Very high | 44 Ų | 44 | 47.6 Ų | 47.6 | 45% | 0.454 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 19.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G213 R233 S234 | G213-G236 PolarHBondContact N-O 2.98Å; R233-G236 PolarHBondContact O-N 2.9Å; S234-G236 VanDerWaalsContact C-N 3.26Å; S234-G236 PolarHBondContact O-N 2.79Å |
| 237 | A | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | trans | -75.8 | 147 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K214 A216 L232 | K214-A237 CarbonylContact O-C 3.53Å; K214-A237 WeakPolarHBondContact O-CA 3.39Å; A216-A237 HydrophobicContact CB-CB 4.3Å; L232-A237 HydrophobicContact CB-CB 4.33Å; L232-A237 VanDerWaalsContact O-CB 3.29Å; L232-A237 WeakPolarHBondContact O-CB 3.4Å; L232-A237 PolarHBondContact O-N 2.88Å; L232-A237 VanDerWaalsContact O-N 3.12Å | ||
| 238 | R | 98.9 | Very high | 98.8 | Very high | 130 Ų | 130 | 52.8 Ų | 52.8 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 110.5 | 166.3 | -180 | 160.3 | 60.6 | 85.4 | -2 | 108.2 | K214 V215 A216 E258 | K214-R238 PolarHBondContact O-N 2.87Å; V215-R238 CarbonylContact C-O 3.48Å; V215-R238 VanDerWaalsContact CA-O 3.29Å; V215-R238 WeakPolarHBondContact CA-O 3.28Å; A216-R238 PolarHBondContact N-O 3.47Å; R238-E258 IonicContact NH1-OE2 3.95Å |
| 239 | V | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 127.2 | -172.9 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | A216 V218 L232 R233 I241 Y257 | A216-V239 CarbonylContact O-C 3.55Å; A216-V239 VanDerWaalsContact O-CA 3.26Å; A216-V239 WeakPolarHBondContact O-CA 3.38Å; V218-V239 HydrophobicContact CG2-CG1 4.06Å; L232-V239 HydrophobicContact CB-CG2 3.67Å; R233-V239 HydrophobicContact CB-CG2 4.18Å; V239-I241 HydrophobicContact CG1-CD1 3.78Å; V239-Y257 HydrophobicContact CB-CD1 3.67Å; V239-Y257 HydrophobicContact CB-CE1 3.65Å; V239-Y257 HydrophobicContact CG1-CD1 3.9Å; V239-Y257 HydrophobicContact CG1-CE1 3.94Å; V239-Y257 HydrophobicContact CG2-CE1 4.17Å |
| 240 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 145.7 | 168.5 | -52.5 | -177.1 | 0 | 0 | 0 | 108.9 | V215 A216 L217 V218 E258 T260 R268 | V215-L240 HydrophobicContact CG1-CD1 3.61Å; V215-L240 HydrophobicContact CG1-CD2 4.49Å; V215-L240 HydrophobicContact CG1-CG 3.74Å; A216-L240 PolarHBondContact O-N 3.1Å; L217-L240 WeakPolarHBondContact CA-O 3.32Å; L217-L240 HydrophobicContact CB-CB 4.36Å; L217-L240 HydrophobicContact CD1-CB 4.47Å; L217-L240 HydrophobicContact CG-CB 4.38Å; V218-L240 PolarHBondContact N-O 3.37Å; L240-E258 WeakPolarHBondContact CA-O 3.27Å; L240-E258 HydrophobicContact CD2-CB 3.8Å; L240-E258 HydrophobicContact CD2-CG 4.1Å; L240-E258 VanDerWaalsContact CD2-OE2 3.27Å; L240-E258 WeakPolarHBondContact CD2-OE2 3.46Å; L240-T260 HydrophobicContact CB-CG2 4.37Å; L240-T260 HydrophobicContact CD1-CG2 4.35Å; L240-R268 HydrophobicContact CD1-CB 4.38Å |
| 241 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.4 | 178.7 | -56.7 | -59 | 0 | 0 | 0 | 109.6 | V218 Y221 S229 V239 E243 A252 Y257 E258 V259 T260 | V218-I241 HydrophobicContact CB-CD1 3.94Å; V218-I241 WeakPolarHBondContact O-CA 3.44Å; Y221-I241 HydrophobicContact CD2-CD1 3.73Å; Y221-I241 HydrophobicContact CD2-CG1 4.1Å; Y221-I241 HydrophobicContact CD2-CG2 4.03Å; Y221-I241 HydrophobicContact CE2-CD1 3.96Å; Y221-I241 HydrophobicContact CE2-CG1 4.31Å; Y221-I241 HydrophobicContact CG-CG2 4.14Å; S229-I241 WeakPolarHBondContact OG-CD1 3.45Å; V239-I241 HydrophobicContact CG1-CD1 3.78Å; I241-E243 HydrophobicContact CG2-CG 4.49Å; I241-A252 HydrophobicContact CB-CB 4.29Å; I241-A252 HydrophobicContact CG1-CB 4.08Å; I241-A252 HydrophobicContact CG2-CB 4.08Å; I241-Y257 HydrophobicContact CG1-CG 4.07Å; I241-E258 PolarHBondContact N-O 3.33Å; I241-V259 HydrophobicContact CB-CG2 4.2Å; I241-V259 HydrophobicContact CG2-CG2 4.47Å; I241-V259 CarbonylContact O-C 3.26Å; I241-V259 WeakPolarHBondContact O-CA 3.47Å; I241-T260 PolarHBondContact O-N 2.9Å |
| 242 | T | 98.9 | Very high | 98.8 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 139.5 | 161.2 | 74.7 | 0 | 0 | 0 | 0 | 109.2 | L217 V218 A219 G220 T260 M262 | L217-T242 HydrophobicContact CD1-CG2 3.91Å; L217-T242 HydrophobicContact CD2-CG2 3.98Å; L217-T242 HydrophobicContact CG-CG2 4.17Å; V218-T242 PolarHBondContact O-N 2.71Å; V218-T242 VanDerWaalsContact O-N 3.11Å; A219-T242 VanDerWaalsContact CA-OG1 3.24Å; A219-T242 WeakPolarHBondContact CA-OG1 3.33Å; A219-T242 WeakPolarHBondContact CB-OG1 3.31Å; G220-T242 WeakPolarHBondContact CA-O 3.38Å; G220-T242 PolarHBondContact N-O 2.81Å; T242-T260 WeakPolarHBondContact CA-O 3.39Å; T242-T260 WeakPolarHBondContact CG2-O 3.22Å; T242-M262 HydrophobicContact CG2-CB 4.5Å |
| 243 | E | 98.8 | Very high | 98.8 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | trans | -150.7 | 144.1 | 177.2 | -108.6 | -64.1 | -170.9 | 0 | 0 | 111.5 | Y221 I241 D245 N248 A249 | Y221-E243 PolarHBondContact N-OE1 3.41Å; I241-E243 HydrophobicContact CG2-CG 4.49Å; E243-D245 PolarHBondContact OE2-N 3.22Å; E243-N248 HydrophobicContact CG-CB 3.83Å; E243-N248 WeakPolarHBondContact OE1-CB 3.48Å; E243-N248 PolarHBondContact OE1-ND2 3.44Å; E243-A249 HydrophobicContact CB-CB 3.97Å | ||
| 244 | A | 98.4 | Very high | 98.8 | Very high | 104 Ų | 104 | 63.2 Ų | 63.2 | 86% | 0.86 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -94.5 | -27.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 245 | D | 98.7 | Very high | 98.8 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 35% | 0.353 | 35% | 0.351 | S | S | . | . | trans | -84.3 | 119.4 | 178.9 | -172 | -39.9 | 0 | 0 | 0 | 110.9 | E243 I247 N248 A249 | E243-D245 PolarHBondContact OE2-N 3.22Å; D245-I247 VanDerWaalsContact C-N 3.27Å; D245-I247 PolarHBondContact O-N 3.2Å; D245-I247 WeakPolarHBondContact OD1-CA 3.39Å; D245-I247 VanDerWaalsContact OD1-CB 3.28Å; D245-I247 WeakPolarHBondContact OD1-CB 3.4Å; D245-I247 PolarHBondContact OD1-N 3.06Å; D245-N248 HydrophobicContact CB-CB 4.17Å; D245-N248 PolarHBondContact O-N 3.02Å; D245-N248 PolarHBondContact OD1-N 3.03Å; D245-A249 WeakPolarHBondContact O-CB 3.47Å; D245-A249 PolarHBondContact O-N 3.19Å | ||
| 246 | P | 98.7 | Very high | 98.8 | Very high | 101 Ų | 101 | 61.3 Ų | 61.3 | 66% | 0.656 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.9 | -25.7 | -178.5 | 27.6 | -35.4 | 0 | 0 | 0 | 113.7 | L250 | P246-L250 VanDerWaalsContact O-CB 3.26Å; P246-L250 WeakPolarHBondContact O-CB 3.39Å; P246-L250 PolarHBondContact O-N 2.91Å |
| 247 | I | 98.8 | Very high | 98.8 | Very high | 114 Ų | 114 | 60.1 Ų | 60.1 | 59% | 0.585 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.9 | -48.5 | 176.4 | -61 | 171.8 | 0 | 0 | 0 | 109.2 | D245 L250 Q251 | D245-I247 VanDerWaalsContact C-N 3.27Å; D245-I247 PolarHBondContact O-N 3.2Å; D245-I247 WeakPolarHBondContact OD1-CA 3.39Å; D245-I247 VanDerWaalsContact OD1-CB 3.28Å; D245-I247 WeakPolarHBondContact OD1-CB 3.4Å; D245-I247 PolarHBondContact OD1-N 3.06Å; I247-L250 PolarHBondContact O-N 2.89Å; I247-Q251 WeakPolarHBondContact O-CG 3.33Å; I247-Q251 PolarHBondContact O-N 2.79Å |
| 248 | N | 98.8 | Very high | 98.8 | Very high | 33 Ų | 33 | 63.6 Ų | 63.6 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 177.8 | -70 | -27.2 | 0 | 0 | 0 | 111.4 | Y221 E243 D245 L250 Q251 A252 | Y221-N248 WeakPolarHBondContact CD1-O 3.44Å; E243-N248 HydrophobicContact CG-CB 3.83Å; E243-N248 WeakPolarHBondContact OE1-CB 3.48Å; E243-N248 PolarHBondContact OE1-ND2 3.44Å; D245-N248 HydrophobicContact CB-CB 4.17Å; D245-N248 PolarHBondContact O-N 3.02Å; D245-N248 PolarHBondContact OD1-N 3.03Å; N248-L250 VanDerWaalsContact C-N 3.35Å; N248-L250 PolarHBondContact O-N 2.91Å; N248-Q251 WeakPolarHBondContact O-CB 3.41Å; N248-Q251 PolarHBondContact O-N 3.46Å; N248-Q251 PolarHBondContact OD1-OE1 3.25Å; N248-A252 PolarHBondContact O-N 3.39Å |
| 249 | A | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 59.8 Ų | 59.8 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E243 D245 Q251 A252 V253 V259 | E243-A249 HydrophobicContact CB-CB 3.97Å; D245-A249 WeakPolarHBondContact O-CB 3.47Å; D245-A249 PolarHBondContact O-N 3.19Å; A249-Q251 VanDerWaalsContact C-N 3.34Å; A249-Q251 PolarHBondContact O-N 3.02Å; A249-A252 WeakPolarHBondContact O-CB 3.38Å; A249-A252 PolarHBondContact O-N 3.44Å; A249-V253 WeakPolarHBondContact O-CG2 3.44Å; A249-V253 PolarHBondContact O-N 2.91Å; A249-V259 HydrophobicContact CB-CG1 4.22Å |
| 250 | L | 98.9 | Very high | 98.8 | Very high | 110 Ų | 110 | 60.8 Ų | 60.8 | 58% | 0.576 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.9 | -42.6 | 176.2 | -178.6 | 59.7 | 0 | 0 | 0 | 111.2 | P246 I247 N248 A252 V253 M254 | P246-L250 VanDerWaalsContact O-CB 3.26Å; P246-L250 WeakPolarHBondContact O-CB 3.39Å; P246-L250 PolarHBondContact O-N 2.91Å; I247-L250 PolarHBondContact O-N 2.89Å; N248-L250 VanDerWaalsContact C-N 3.35Å; N248-L250 PolarHBondContact O-N 2.91Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-A252 PolarHBondContact O-N 3.21Å; L250-V253 PolarHBondContact O-N 2.73Å; L250-M254 HydrophobicContact CD1-CG 4.21Å; L250-M254 HydrophobicContact CD1-SD 4.46Å; L250-M254 HydrophobicContact CG-CG 4.37Å; L250-M254 VanDerWaalsContact O-CG 3.23Å; L250-M254 WeakPolarHBondContact O-CG 3.48Å; L250-M254 PolarHBondContact O-N 3.04Å |
| 251 | Q | 98.9 | Very high | 98.8 | Very high | 84 Ų | 84 | 64.3 Ų | 64.3 | 39% | 0.393 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.5 | -45.5 | 174.1 | -72 | -179.1 | -42.5 | 0 | 0 | 111.9 | Y221 K226 I247 N248 A249 V253 M254 E255 | Y221-Q251 HydrophobicContact CD1-CB 4.39Å; Y221-Q251 HydrophobicContact CE1-CB 4.14Å; K226-Q251 VanDerWaalsContact CE-OE1 3.24Å; I247-Q251 WeakPolarHBondContact O-CG 3.33Å; I247-Q251 PolarHBondContact O-N 2.79Å; N248-Q251 WeakPolarHBondContact O-CB 3.41Å; N248-Q251 PolarHBondContact O-N 3.46Å; N248-Q251 PolarHBondContact OD1-OE1 3.25Å; A249-Q251 VanDerWaalsContact C-N 3.34Å; A249-Q251 PolarHBondContact O-N 3.02Å; Q251-V253 PolarHBondContact O-N 3Å; Q251-M254 PolarHBondContact O-N 3.05Å; Q251-E255 WeakPolarHBondContact O-CG 3.42Å; Q251-E255 PolarHBondContact O-N 3.17Å |
| 252 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y221 I241 N248 A249 L250 M254 E255 G256 Y257 V259 | Y221-A252 HydrophobicContact CD1-CB 3.65Å; Y221-A252 HydrophobicContact CD2-CB 4.19Å; Y221-A252 VanDerWaalsContact CE1-CA 3.46Å; Y221-A252 HydrophobicContact CE1-CB 3.67Å; Y221-A252 HydrophobicContact CE2-CB 4.2Å; Y221-A252 HydrophobicContact CG-CB 3.92Å; I241-A252 HydrophobicContact CB-CB 4.29Å; I241-A252 HydrophobicContact CG1-CB 4.08Å; I241-A252 HydrophobicContact CG2-CB 4.08Å; N248-A252 PolarHBondContact O-N 3.39Å; A249-A252 WeakPolarHBondContact O-CB 3.38Å; A249-A252 PolarHBondContact O-N 3.44Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-A252 PolarHBondContact O-N 3.21Å; A252-M254 VanDerWaalsContact C-N 3.33Å; A252-M254 PolarHBondContact O-N 2.71Å; A252-E255 PolarHBondContact O-N 2.81Å; A252-G256 PolarHBondContact O-N 3.12Å; A252-Y257 WeakPolarHBondContact O-CB 3.49Å; A252-Y257 WeakPolarHBondContact O-CD2 3.32Å; A252-Y257 PolarHBondContact O-N 3.26Å; A252-V259 HydrophobicContact CB-CG2 3.73Å |
| 253 | V | 98.7 | Very high | 98.8 | Very high | 76 Ų | 76 | 69.1 Ų | 69.1 | 46% | 0.461 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 176.3 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | A249 L250 Q251 E255 G256 V259 | A249-V253 WeakPolarHBondContact O-CG2 3.44Å; A249-V253 PolarHBondContact O-N 2.91Å; L250-V253 PolarHBondContact O-N 2.73Å; Q251-V253 PolarHBondContact O-N 3Å; V253-E255 PolarHBondContact O-N 2.97Å; V253-G256 WeakPolarHBondContact O-CA 3.29Å; V253-G256 PolarHBondContact O-N 3.01Å; V253-V259 HydrophobicContact CG2-CB 4.19Å; V253-V259 HydrophobicContact CG2-CG2 3.58Å |
| 254 | M | 98.7 | Very high | 98.8 | Very high | 144 Ų | 144 | 69.4 Ų | 69.4 | 71% | 0.709 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.7 | -24.6 | 178.9 | -67.9 | -53.5 | -61.8 | 0 | 0 | 113.1 | L250 Q251 A252 G256 | L250-M254 HydrophobicContact CD1-CG 4.21Å; L250-M254 HydrophobicContact CD1-SD 4.46Å; L250-M254 HydrophobicContact CG-CG 4.37Å; L250-M254 VanDerWaalsContact O-CG 3.23Å; L250-M254 WeakPolarHBondContact O-CG 3.48Å; L250-M254 PolarHBondContact O-N 3.04Å; Q251-M254 PolarHBondContact O-N 3.05Å; A252-M254 VanDerWaalsContact C-N 3.33Å; A252-M254 PolarHBondContact O-N 2.71Å; M254-G256 VanDerWaalsContact C-N 3.27Å |
| 255 | E | 98.8 | Very high | 98.8 | Very high | 118 Ų | 118 | 64.4 Ų | 64.4 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.2 | 169.7 | -66.2 | -59.5 | 142.3 | 0 | 0 | 112.7 | R233 Q251 A252 V253 Y257 | R233-E255 PolarHBondContact NH1-O 3.4Å; Q251-E255 WeakPolarHBondContact O-CG 3.42Å; Q251-E255 PolarHBondContact O-N 3.17Å; A252-E255 PolarHBondContact O-N 2.81Å; V253-E255 PolarHBondContact O-N 2.97Å; E255-Y257 HydrophobicContact CB-CD2 3.65Å; E255-Y257 HydrophobicContact CB-CE2 3.6Å; E255-Y257 HydrophobicContact CG-CE2 4.47Å |
| 256 | G | 98.7 | Very high | 98.8 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 58% | 0.577 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | 19.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A252 V253 M254 | A252-G256 PolarHBondContact O-N 3.12Å; V253-G256 WeakPolarHBondContact O-CA 3.29Å; V253-G256 PolarHBondContact O-N 3.01Å; M254-G256 VanDerWaalsContact C-N 3.27Å |
| 257 | Y | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 62.2 Ų | 62.2 | 8% | 0.075 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 144.5 | 169.5 | -61.1 | -71.5 | 0 | 0 | 0 | 111.1 | Y221 S229 Q230 R233 V239 I241 A252 E255 | Y221-Y257 HydrophobicContact CE2-CD2 4.16Å; Y221-Y257 HydrophobicContact CE2-CE2 4.21Å; Y221-Y257 WeakPolarHBondContact OH-CD2 3.24Å; Y221-Y257 WeakPolarHBondContact OH-CE2 3.29Å; S229-Y257 VanDerWaalsContact C-OH 3.25Å; S229-Y257 PolarHBondContact O-OH 2.92Å; Q230-Y257 PolarHBondContact N-OH 3.3Å; R233-Y257 HydrophobicContact CB-CE1 4.24Å; V239-Y257 HydrophobicContact CB-CD1 3.67Å; V239-Y257 HydrophobicContact CB-CE1 3.65Å; V239-Y257 HydrophobicContact CG1-CD1 3.9Å; V239-Y257 HydrophobicContact CG1-CE1 3.94Å; V239-Y257 HydrophobicContact CG2-CE1 4.17Å; I241-Y257 HydrophobicContact CG1-CG 4.07Å; A252-Y257 WeakPolarHBondContact O-CB 3.49Å; A252-Y257 WeakPolarHBondContact O-CD2 3.32Å; A252-Y257 PolarHBondContact O-N 3.26Å; E255-Y257 HydrophobicContact CB-CD2 3.65Å; E255-Y257 HydrophobicContact CB-CE2 3.6Å; E255-Y257 HydrophobicContact CG-CE2 4.47Å |
| 258 | E | 98.9 | Very high | 98.7 | Very high | 81 Ų | 81 | 59.9 Ų | 59.9 | 38% | 0.379 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 122.9 | 168.1 | -177.2 | -176.6 | 163.5 | 0 | 0 | 108.6 | R238 L240 I241 R268 | R238-E258 IonicContact NH1-OE2 3.95Å; L240-E258 WeakPolarHBondContact CA-O 3.27Å; L240-E258 HydrophobicContact CD2-CB 3.8Å; L240-E258 HydrophobicContact CD2-CG 4.1Å; L240-E258 VanDerWaalsContact CD2-OE2 3.27Å; L240-E258 WeakPolarHBondContact CD2-OE2 3.46Å; I241-E258 PolarHBondContact N-O 3.33Å; E258-R268 VanDerWaalsContact CD-NH2 3.29Å; E258-R268 IonicContact OE1-CZ 2.81Å; E258-R268 VanDerWaalsContact OE1-CZ 3.25Å; E258-R268 IonicContact OE1-NH1 2.62Å; E258-R268 PolarHBondContact OE1-NH1 2.99Å; E258-R268 IonicContact OE1-NH2 3.25Å; E258-R268 PolarHBondContact OE1-NH2 3.17Å; E258-R268 IonicContact OE2-CZ 3.02Å; E258-R268 IonicContact OE2-NH1 3.95Å; E258-R268 IonicContact OE2-NH2 3.71Å; E258-R268 PolarHBondContact OE2-NH2 2.84Å |
| 259 | V | 98.9 | Very high | 98.7 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 30% | 0.297 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.8 | 172.3 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | I241 A249 A252 V253 | I241-V259 HydrophobicContact CB-CG2 4.2Å; I241-V259 HydrophobicContact CG2-CG2 4.47Å; I241-V259 CarbonylContact O-C 3.26Å; I241-V259 WeakPolarHBondContact O-CA 3.47Å; A249-V259 HydrophobicContact CB-CG1 4.22Å; A252-V259 HydrophobicContact CB-CG2 3.73Å; V253-V259 HydrophobicContact CG2-CB 4.19Å; V253-V259 HydrophobicContact CG2-CG2 3.58Å |
| 260 | T | 98.8 | Very high | 98.7 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | trans | -139.6 | -177.4 | -179.3 | -168.5 | 0 | 0 | 0 | 0 | 110 | L240 I241 T242 D264 | L240-T260 HydrophobicContact CB-CG2 4.37Å; L240-T260 HydrophobicContact CD1-CG2 4.35Å; I241-T260 PolarHBondContact O-N 2.9Å; T242-T260 WeakPolarHBondContact CA-O 3.39Å; T242-T260 WeakPolarHBondContact CG2-O 3.22Å; T260-D264 WeakPolarHBondContact OG1-CB 3.34Å; T260-D264 PolarHBondContact OG1-OD2 2.94Å | ||
| 261 | T | 98.8 | Very high | 98.7 | Very high | 75 Ų | 75 | 54 Ų | 54 | 46% | 0.46 | 28% | 0.281 | S | S | . | . | trans | -92.8 | 165.9 | 175.1 | 78.8 | 0 | 0 | 0 | 0 | 111.5 | E263 D264 G265 | T261-E263 VanDerWaalsContact C-N 3.29Å; T261-E263 WeakPolarHBondContact CB-OE2 3.39Å; T261-E263 PolarHBondContact O-N 2.8Å; T261-E263 PolarHBondContact OG1-N 2.87Å; T261-E263 PolarHBondContact OG1-OE2 2.87Å; T261-D264 PolarHBondContact O-N 3.4Å; T261-D264 PolarHBondContact OG1-N 3.11Å; T261-G265 PolarHBondContact O-N 2.84Å | ||
| 262 | M | 98.8 | Very high | 98.7 | Very high | 13 Ų | 13 | 50 Ų | 50 | 6% | 0.064 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -34.3 | 177 | -174.4 | 60.4 | 74.4 | 0 | 0 | 111.7 | L217 A219 T242 D264 G265 A266 F272 I281 I282 H286 | L217-M262 HydrophobicContact CD1-SD 4.11Å; L217-M262 HydrophobicContact CD2-CE 3.44Å; L217-M262 VanDerWaalsContact CD2-CE 3.44Å; L217-M262 HydrophobicContact CD2-SD 3.78Å; A219-M262 HydrophobicContact CB-CE 3.8Å; T242-M262 HydrophobicContact CG2-CB 4.5Å; M262-D264 PolarHBondContact O-N 2.87Å; M262-G265 PolarHBondContact O-N 2.87Å; M262-A266 WeakPolarHBondContact O-CB 2.98Å; M262-A266 PolarHBondContact O-N 3.31Å; M262-F272 HydrophobicContact SD-CD1 4.22Å; M262-F272 HydrophobicContact SD-CE1 4.38Å; M262-I281 HydrophobicContact CE-CG2 3.82Å; M262-I282 HydrophobicContact CE-CD1 4.4Å; M262-I282 HydrophobicContact CE-CG1 3.83Å; M262-I282 HydrophobicContact SD-CG1 4.27Å; M262-H286 HydrophobicContact CG-CB 4.48Å; M262-H286 VanDerWaalsContact CG-CE1 3.4Å; M262-H286 WeakPolarHBondContact CG-CE1 3.35Å; M262-H286 WeakPolarHBondContact CG-ND1 3.24Å |
| 263 | E | 98.7 | Very high | 98.7 | Very high | 105 Ų | 105 | 50 Ų | 50 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -36 | -179.2 | -55.2 | 76.8 | -173.3 | 0 | 0 | 112.5 | T261 K267 H286 | T261-E263 VanDerWaalsContact C-N 3.29Å; T261-E263 WeakPolarHBondContact CB-OE2 3.39Å; T261-E263 PolarHBondContact O-N 2.8Å; T261-E263 PolarHBondContact OG1-N 2.87Å; T261-E263 PolarHBondContact OG1-OE2 2.87Å; E263-K267 WeakPolarHBondContact O-CE 3.41Å; E263-H286 IonicContact OE1-NE2 3Å |
| 264 | D | 98.6 | Very high | 98.7 | Very high | 60 Ų | 60 | 46.3 Ų | 46.3 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -76.8 | -44.2 | 171.5 | 178.3 | 61.8 | 0 | 0 | 0 | 111.3 | T260 T261 M262 A266 K267 R268 | T260-D264 WeakPolarHBondContact OG1-CB 3.34Å; T260-D264 PolarHBondContact OG1-OD2 2.94Å; T261-D264 PolarHBondContact O-N 3.4Å; T261-D264 PolarHBondContact OG1-N 3.11Å; M262-D264 PolarHBondContact O-N 2.87Å; D264-A266 PolarHBondContact O-N 3.38Å; D264-K267 PolarHBondContact O-N 2.76Å; D264-R268 WeakPolarHBondContact O-CD 3.38Å; D264-R268 WeakPolarHBondContact O-CG 3.1Å; D264-R268 IonicContact OD2-CZ 2.78Å; D264-R268 IonicContact OD2-NH1 3.81Å; D264-R268 PolarHBondContact OD2-NH1 2.84Å |
| 265 | G | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -38.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L217 T261 M262 K267 R268 A269 | L217-G265 VanDerWaalsContact CD1-CA 3.44Å; T261-G265 PolarHBondContact O-N 2.84Å; M262-G265 PolarHBondContact O-N 2.87Å; G265-K267 PolarHBondContact O-N 2.87Å; G265-R268 PolarHBondContact O-N 3.07Å; G265-A269 PolarHBondContact O-N 3.03Å |
| 266 | A | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -35.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M262 D264 R268 H286 E289 M290 | M262-A266 WeakPolarHBondContact O-CB 2.98Å; M262-A266 PolarHBondContact O-N 3.31Å; D264-A266 PolarHBondContact O-N 3.38Å; A266-R268 VanDerWaalsContact C-N 3.3Å; A266-R268 PolarHBondContact O-N 2.88Å; A266-H286 HydrophobicContact CB-CB 4.18Å; A266-E289 HydrophobicContact CB-CB 4.31Å; A266-M290 WeakPolarHBondContact O-CA 3.13Å |
| 267 | K | 98.6 | Very high | 98.2 | Very high | 121 Ų | 121 | 34.7 Ų | 34.7 | 53% | 0.526 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -15.6 | -178.9 | -62.7 | 168 | -174.9 | 170.6 | 0 | 113.3 | E263 D264 G265 E289 | E263-K267 WeakPolarHBondContact O-CE 3.41Å; D264-K267 PolarHBondContact O-N 2.76Å; G265-K267 PolarHBondContact O-N 2.87Å; K267-E289 VanDerWaalsContact CE-OE2 3.25Å; K267-E289 WeakPolarHBondContact CE-OE2 3.41Å; K267-E289 HydrophobicContact CG-CB 4Å; K267-E289 HydrophobicContact CG-CG 4.49Å |
| 268 | R | 98.1 | Very high | 98 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 25% | 0.245 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -32.4 | -163.7 | -62.6 | 167.9 | 64.4 | -156.2 | -1.7 | 113.4 | V215 L240 E258 D264 G265 A266 M291 | V215-R268 WeakPolarHBondContact CB-O 3.35Å; L240-R268 HydrophobicContact CD1-CB 4.38Å; E258-R268 VanDerWaalsContact CD-NH2 3.29Å; E258-R268 IonicContact OE1-CZ 2.81Å; E258-R268 VanDerWaalsContact OE1-CZ 3.25Å; E258-R268 IonicContact OE1-NH1 2.62Å; E258-R268 PolarHBondContact OE1-NH1 2.99Å; E258-R268 IonicContact OE1-NH2 3.25Å; E258-R268 PolarHBondContact OE1-NH2 3.17Å; E258-R268 IonicContact OE2-CZ 3.02Å; E258-R268 IonicContact OE2-NH1 3.95Å; E258-R268 IonicContact OE2-NH2 3.71Å; E258-R268 PolarHBondContact OE2-NH2 2.84Å; D264-R268 WeakPolarHBondContact O-CD 3.38Å; D264-R268 WeakPolarHBondContact O-CG 3.1Å; D264-R268 IonicContact OD2-CZ 2.78Å; D264-R268 IonicContact OD2-NH1 3.81Å; D264-R268 PolarHBondContact OD2-NH1 2.84Å; G265-R268 PolarHBondContact O-N 3.07Å; A266-R268 VanDerWaalsContact C-N 3.3Å; A266-R268 PolarHBondContact O-N 2.88Å; R268-M291 WeakPolarHBondContact O-CE 3.47Å |
| 269 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -87.9 | 144.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V215 L217 G265 F272 M291 | V215-A269 HydrophobicContact CG1-CB 3.99Å; L217-A269 HydrophobicContact CB-CB 3.76Å; G265-A269 PolarHBondContact O-N 3.03Å; A269-F272 HydrophobicContact CB-CD1 4.35Å; A269-F272 HydrophobicContact CB-CE1 3.72Å; A269-F272 HydrophobicContact CB-CE2 4.05Å; A269-F272 HydrophobicContact CB-CZ 3.56Å; A269-F272 WeakPolarHBondContact O-CE2 3.09Å; A269-F272 WeakPolarHBondContact O-CZ 3.3Å; A269-M291 VanDerWaalsContact O-CE 3.27Å; A269-M291 WeakPolarHBondContact O-CE 3.14Å | ||
| 270 | K | 98.7 | Very high | 97.7 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 17% | 0.165 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -93.9 | -27.3 | 172.2 | -178.7 | 61.4 | 173.6 | 178.3 | 0 | 111.6 | I209 K214 V215 M291 D292 D293 A294 I295 | I209-K270 HydrophobicContact CD1-CG 4.32Å; K214-K270 HydrophobicContact CB-CB 4.42Å; K214-K270 HydrophobicContact CD-CB 4.19Å; K214-K270 HydrophobicContact CD-CG 3.99Å; V215-K270 PolarHBondContact O-N 3.02Å; K270-M291 HydrophobicContact CB-SD 3.69Å; K270-M291 HydrophobicContact CD-CG 4.04Å; K270-M291 HydrophobicContact CD-SD 3.54Å; K270-M291 VanDerWaalsContact CD-SD 3.54Å; K270-M291 HydrophobicContact CG-SD 4.18Å; K270-D292 PolarHBondContact NZ-O 3.24Å; K270-D293 WeakPolarHBondContact CE-O 3.37Å; K270-D293 VanDerWaalsContact NZ-CB 3.3Å; K270-D293 PolarHBondContact NZ-O 3.18Å; K270-A294 WeakPolarHBondContact O-CA 3.26Å; K270-I295 PolarHBondContact O-N 3.05Å |
| 271 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.1 | -176.7 | -57.8 | 169.9 | 0 | 0 | 0 | 107.4 | L203 I209 L211 K214 V215 A216 L217 V273 I295 | L203-I271 HydrophobicContact CD1-CG2 4.32Å; L203-I271 HydrophobicContact CD2-CG2 4.18Å; I209-I271 HydrophobicContact CD1-CD1 4.46Å; I209-I271 HydrophobicContact CD1-CG1 4.49Å; I209-I271 HydrophobicContact CG2-CD1 4.48Å; L211-I271 HydrophobicContact CD2-CD1 3.39Å; K214-I271 HydrophobicContact CB-CD1 4.3Å; V215-I271 PolarHBondContact O-N 2.88Å; A216-I271 CarbonylContact C-O 3.6Å; A216-I271 VanDerWaalsContact CA-O 3.3Å; A216-I271 WeakPolarHBondContact CA-O 3.38Å; A216-I271 HydrophobicContact CB-CB 4.02Å; A216-I271 HydrophobicContact CB-CG2 4.44Å; L217-I271 PolarHBondContact N-O 3.46Å; I271-V273 HydrophobicContact CG2-CG2 4.2Å; I271-I295 CarbonylContact C-O 3.59Å; I271-I295 WeakPolarHBondContact CA-O 3.21Å |
| 272 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 126.4 | 178.8 | -62.7 | -94.3 | 0 | 0 | 0 | 108.9 | L217 M262 A269 I282 M290 A294 I295 V296 C297 | L217-F272 HydrophobicContact CB-CD1 4.02Å; L217-F272 HydrophobicContact CB-CE1 4.27Å; L217-F272 HydrophobicContact CD1-CE1 4.47Å; L217-F272 HydrophobicContact CD2-CD1 4.23Å; L217-F272 WeakPolarHBondContact O-CA 3.5Å; M262-F272 HydrophobicContact SD-CD1 4.22Å; M262-F272 HydrophobicContact SD-CE1 4.38Å; A269-F272 HydrophobicContact CB-CD1 4.35Å; A269-F272 HydrophobicContact CB-CE1 3.72Å; A269-F272 HydrophobicContact CB-CE2 4.05Å; A269-F272 HydrophobicContact CB-CZ 3.56Å; A269-F272 WeakPolarHBondContact O-CE2 3.09Å; A269-F272 WeakPolarHBondContact O-CZ 3.3Å; F272-I282 HydrophobicContact CB-CD1 3.78Å; F272-I282 HydrophobicContact CD1-CD1 4.5Å; F272-I282 HydrophobicContact CG-CD1 4.42Å; F272-M290 HydrophobicContact CD1-CE 3.87Å; F272-M290 HydrophobicContact CD2-CE 3.76Å; F272-M290 HydrophobicContact CD2-SD 3.95Å; F272-M290 HydrophobicContact CE1-CE 3.89Å; F272-M290 HydrophobicContact CE2-CE 3.78Å; F272-M290 HydrophobicContact CE2-CG 3.82Å; F272-M290 HydrophobicContact CE2-SD 3.72Å; F272-M290 HydrophobicContact CG-CE 3.81Å; F272-M290 HydrophobicContact CZ-CE 3.85Å; F272-M290 HydrophobicContact CZ-CG 3.85Å; F272-M290 HydrophobicContact CZ-SD 4.18Å; F272-A294 HydrophobicContact CD2-CB 4.33Å; F272-A294 HydrophobicContact CE2-CB 3.94Å; F272-I295 PolarHBondContact N-O 2.81Å; F272-V296 HydrophobicContact CB-CG1 4.49Å; F272-V296 HydrophobicContact CB-CG2 4.23Å; F272-V296 HydrophobicContact CD2-CG2 4.12Å; F272-V296 HydrophobicContact CG-CG2 4.45Å; F272-C297 PolarHBondContact O-N 2.85Å |
| 273 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 117.4 | 178.8 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | L199 L217 V218 A219 L232 I271 C297 I299 | L199-V273 HydrophobicContact CD1-CG1 3.78Å; L199-V273 HydrophobicContact CD1-CG2 4.1Å; L199-V273 HydrophobicContact CD2-CG1 4.13Å; L199-V273 HydrophobicContact CD2-CG2 4.15Å; L217-V273 PolarHBondContact O-N 3.32Å; V218-V273 CarbonylContact C-O 3.5Å; V218-V273 WeakPolarHBondContact CA-O 3.28Å; V218-V273 HydrophobicContact CG2-CB 4.4Å; A219-V273 PolarHBondContact N-O 3.44Å; L232-V273 HydrophobicContact CD1-CG2 4.26Å; I271-V273 HydrophobicContact CG2-CG2 4.2Å; V273-C297 WeakPolarHBondContact CA-O 3.3Å; V273-I299 HydrophobicContact CG1-CG2 3.68Å |
| 274 | T | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.6 | 173.6 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | I281 I282 C297 N298 I299 G300 E305 V306 | T274-I281 HydrophobicContact CG2-CB 4.16Å; T274-I281 HydrophobicContact CG2-CG2 3.86Å; T274-I282 HydrophobicContact CG2-CD1 3.54Å; T274-I282 HydrophobicContact CG2-CG1 3.79Å; T274-C297 PolarHBondContact N-O 3.35Å; T274-N298 PolarHBondContact O-OD1 3.16Å; T274-N298 VanDerWaalsContact OG1-CA 3.27Å; T274-N298 WeakPolarHBondContact OG1-CA 3.23Å; T274-N298 WeakPolarHBondContact OG1-CB 3.47Å; T274-N298 VanDerWaalsContact OG1-CG 3.29Å; T274-N298 PolarHBondContact OG1-OD1 3.25Å; T274-I299 PolarHBondContact O-N 2.93Å; T274-G300 PolarHBondContact O-N 3.19Å; T274-E305 VanDerWaalsContact CB-OE2 3.27Å; T274-E305 WeakPolarHBondContact CB-OE2 3.35Å; T274-E305 HydrophobicContact CG2-CB 4.18Å; T274-E305 WeakPolarHBondContact OG1-CB 3.3Å; T274-V306 HydrophobicContact CG2-CG2 3.99Å |
| 275 | A | 97.9 | Very high | 97.6 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | trans | -144.7 | 37.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V218 A219 V224 I299 E305 | V218-A275 HydrophobicContact CG1-CB 4.48Å; A219-A275 CarbonylContact O-C 3.59Å; A219-A275 WeakPolarHBondContact O-CA 3.45Å; A219-A275 PolarHBondContact O-N 3.34Å; V224-A275 HydrophobicContact CB-CB 4.24Å; V224-A275 HydrophobicContact CG1-CB 3.69Å; A275-I299 HydrophobicContact CB-CG2 4.09Å; A275-E305 PolarHBondContact N-OE2 2.93Å | ||
| 276 | T | 96.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 37.1 Ų | 37.1 | 25% | 0.252 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -101.7 | -27.8 | -168.4 | 69.1 | 0 | 0 | 0 | 0 | 114 | A219 C278 I281 E305 | A219-T276 VanDerWaalsContact C-CG2 3.49Å; A219-T276 HydrophobicContact CB-CG2 3.99Å; A219-T276 VanDerWaalsContact O-CG2 3.22Å; A219-T276 WeakPolarHBondContact O-CG2 3.34Å; T276-C278 VanDerWaalsContact C-N 3.28Å; T276-C278 WeakPolarHBondContact OG1-CB 3.15Å; T276-C278 PolarHBondContact OG1-N 3.4Å; T276-C278 PolarHBondContact OG1-O 3.39Å; T276-I281 HydrophobicContact CG2-CD1 3.93Å; T276-I281 HydrophobicContact CG2-CG1 3.97Å; T276-I281 HydrophobicContact CG2-CG2 4.24Å; T276-I281 WeakPolarHBondContact OG1-CG1 3.3Å; T276-E305 WeakPolarHBondContact CB-OE2 3.29Å; T276-E305 PolarHBondContact N-OE1 2.84Å; T276-E305 PolarHBondContact N-OE2 2.87Å; T276-E305 VanDerWaalsContact OG1-CD 3.25Å; T276-E305 PolarHBondContact OG1-OE2 3.48Å |
| 277 | G | 91.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 23% | 0.227 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 62.8 | 32.6 | -165 | 0 | 0 | 0 | 0 | 0 | 113.6 | R162 E305 | R162-G277 PolarHBondContact NH1-O 3.49Å; G277-E305 WeakPolarHBondContact CA-OE1 3.29Å; G277-E305 PolarHBondContact N-OE1 3.49Å |
| 278 | C | 94 | Very high | 97.6 | Very high | 69 Ų | 69 | 33.4 Ų | 33.4 | 47% | 0.466 | 19% | 0.188 | S | C | . | . | trans | -136.9 | 154 | -177 | -169 | 0 | 0 | 0 | 0 | 111.1 | T276 I281 E305 | T276-C278 VanDerWaalsContact C-N 3.28Å; T276-C278 WeakPolarHBondContact OG1-CB 3.15Å; T276-C278 PolarHBondContact OG1-N 3.4Å; T276-C278 PolarHBondContact OG1-O 3.39Å; C278-I281 HydrophobicContact CB-CD1 4.1Å; C278-I281 WeakPolarHBondContact O-CG1 3.29Å; C278-E305 WeakPolarHBondContact O-CA 3.4Å; C278-E305 VanDerWaalsContact O-CG 3.3Å; C278-E305 WeakPolarHBondContact O-CG 3.45Å | ||
| 279 | V | 95 | Very high | 97.6 | Very high | 78 Ų | 78 | 34.9 Ų | 34.9 | 47% | 0.473 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -82.2 | 159.6 | -177.2 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | I281 T304 | V279-I281 PolarHBondContact O-N 2.98Å; V279-T304 WeakPolarHBondContact CA-O 3.37Å |
| 280 | D | 96.4 | Very high | 97.6 | Very high | 99 Ų | 99 | 34.9 Ų | 34.9 | 53% | 0.529 | 20% | 0.198 | S | C | . | . | trans | 61.1 | 35.4 | 169.7 | -56.7 | -38.4 | 0 | 0 | 0 | 115 | T283 T304 | D280-T283 HydrophobicContact CB-CG2 4.12Å; D280-T304 PolarHBondContact N-O 3.26Å | ||
| 281 | I | 98.4 | Very high | 97.6 | Very high | 31 Ų | 31 | 36.3 Ų | 36.3 | 16% | 0.159 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -77.3 | -42.9 | 179.4 | -54.3 | -56.9 | 0 | 0 | 0 | 111.3 | A219 M262 T274 T276 C278 V279 H286 E305 | A219-I281 HydrophobicContact CB-CG2 3.48Å; A219-I281 VanDerWaalsContact CB-CG2 3.48Å; M262-I281 HydrophobicContact CE-CG2 3.82Å; T274-I281 HydrophobicContact CG2-CB 4.16Å; T274-I281 HydrophobicContact CG2-CG2 3.86Å; T276-I281 HydrophobicContact CG2-CD1 3.93Å; T276-I281 HydrophobicContact CG2-CG1 3.97Å; T276-I281 HydrophobicContact CG2-CG2 4.24Å; T276-I281 WeakPolarHBondContact OG1-CG1 3.3Å; C278-I281 HydrophobicContact CB-CD1 4.1Å; C278-I281 WeakPolarHBondContact O-CG1 3.29Å; V279-I281 PolarHBondContact O-N 2.98Å; I281-H286 PolarHBondContact O-CE1 3.04Å; I281-H286 PolarHBondContact O-ND1 3.35Å; I281-E305 WeakPolarHBondContact CA-O 3.43Å; I281-E305 HydrophobicContact CB-CB 4.37Å; I281-E305 VanDerWaalsContact CB-O 3.28Å; I281-E305 WeakPolarHBondContact CB-O 3.34Å; I281-E305 HydrophobicContact CG1-CB 4.11Å; I281-E305 PolarHBondContact N-O 2.86Å |
| 282 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -119 | 115 | 173.3 | -60 | 179.2 | 0 | 0 | 0 | 108.6 | M262 F272 T274 H286 F287 M290 V296 E305 V306 D307 | M262-I282 HydrophobicContact CE-CD1 4.4Å; M262-I282 HydrophobicContact CE-CG1 3.83Å; M262-I282 HydrophobicContact SD-CG1 4.27Å; F272-I282 HydrophobicContact CB-CD1 3.78Å; F272-I282 HydrophobicContact CD1-CD1 4.5Å; F272-I282 HydrophobicContact CG-CD1 4.42Å; T274-I282 HydrophobicContact CG2-CD1 3.54Å; T274-I282 HydrophobicContact CG2-CG1 3.79Å; I282-H286 HydrophobicContact CG2-CB 4.21Å; I282-F287 HydrophobicContact CG2-CD1 4.08Å; I282-F287 HydrophobicContact CG2-CE1 3.58Å; I282-F287 HydrophobicContact CG2-CE2 4.13Å; I282-F287 HydrophobicContact CG2-CZ 3.62Å; I282-M290 HydrophobicContact CD1-CE 4.47Å; I282-M290 HydrophobicContact CG2-CE 3.72Å; I282-V296 HydrophobicContact CD1-CG1 3.77Å; I282-E305 PolarHBondContact N-O 3.22Å; I282-V306 HydrophobicContact CB-CG1 4.43Å; I282-V306 HydrophobicContact CB-CG2 4.46Å; I282-V306 HydrophobicContact CD1-CG2 4.47Å; I282-D307 WeakPolarHBondContact O-CB 3.47Å; I282-D307 PolarHBondContact O-N 3.05Å |
| 283 | T | 98.6 | Very high | 97.6 | Very high | 29 Ų | 29 | 41.7 Ų | 41.7 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | trans | -119 | 176.6 | -174.5 | 66.5 | 0 | 0 | 0 | 0 | 111.3 | D280 E285 H286 F287 | D280-T283 HydrophobicContact CB-CG2 4.12Å; T283-E285 PolarHBondContact O-N 2.95Å; T283-H286 PolarHBondContact N-ND1 3.3Å; T283-H286 WeakPolarHBondContact O-CB 3.43Å; T283-H286 PolarHBondContact O-N 3.28Å; T283-F287 WeakPolarHBondContact O-CD2 3.13Å; T283-F287 PolarHBondContact O-N 2.84Å | ||
| 284 | G | 98.2 | Very high | 97.6 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -51.6 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116 | H286 S288 | G284-H286 VanDerWaalsContact C-N 3.34Å; G284-S288 WeakPolarHBondContact O-CB 3.22Å; G284-S288 PolarHBondContact O-N 3.38Å; G284-S288 VanDerWaalsContact O-N 3.12Å; G284-S288 PolarHBondContact O-OG 3.4Å |
| 285 | E | 98.2 | Very high | 97.6 | Very high | 153 Ų | 153 | 41.9 Ų | 41.9 | 72% | 0.715 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.3 | -40.4 | 176.9 | -63.6 | -173.5 | 173.5 | 0 | 0 | 110.9 | T283 | T283-E285 PolarHBondContact O-N 2.95Å |
| 286 | H | 98.8 | Very high | 97.6 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 7% | 0.069 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.9 | -48.6 | 177 | -55.7 | 146.2 | 0 | 0 | 0 | 111.6 | M262 E263 A266 I281 I282 T283 G284 S288 E289 M290 | M262-H286 HydrophobicContact CG-CB 4.48Å; M262-H286 VanDerWaalsContact CG-CE1 3.4Å; M262-H286 WeakPolarHBondContact CG-CE1 3.35Å; M262-H286 WeakPolarHBondContact CG-ND1 3.24Å; E263-H286 IonicContact OE1-NE2 3Å; A266-H286 HydrophobicContact CB-CB 4.18Å; I281-H286 PolarHBondContact O-CE1 3.04Å; I281-H286 PolarHBondContact O-ND1 3.35Å; I282-H286 HydrophobicContact CG2-CB 4.21Å; T283-H286 PolarHBondContact N-ND1 3.3Å; T283-H286 WeakPolarHBondContact O-CB 3.43Å; T283-H286 PolarHBondContact O-N 3.28Å; G284-H286 VanDerWaalsContact C-N 3.34Å; H286-S288 PolarHBondContact O-N 3.49Å; H286-E289 PolarHBondContact O-N 2.99Å; H286-M290 HydrophobicContact CB-CE 4.49Å; H286-M290 WeakPolarHBondContact O-CG 3.19Å; H286-M290 PolarHBondContact O-N 3.31Å |
| 287 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.1 | -38.2 | 178.3 | -68.2 | -56.1 | 0 | 0 | 0 | 112.5 | I282 T283 E289 M290 V296 V306 W310 L311 L330 I336 | I282-F287 HydrophobicContact CG2-CD1 4.08Å; I282-F287 HydrophobicContact CG2-CE1 3.58Å; I282-F287 HydrophobicContact CG2-CE2 4.13Å; I282-F287 HydrophobicContact CG2-CZ 3.62Å; T283-F287 WeakPolarHBondContact O-CD2 3.13Å; T283-F287 PolarHBondContact O-N 2.84Å; F287-E289 PolarHBondContact O-N 3Å; F287-M290 HydrophobicContact CD1-CE 4.14Å; F287-M290 HydrophobicContact CD1-SD 3.9Å; F287-M290 HydrophobicContact CE1-CE 4.46Å; F287-M290 PolarHBondContact O-N 3.48Å; F287-V296 HydrophobicContact CE1-CG1 4.31Å; F287-V296 HydrophobicContact CE1-CG2 4.14Å; F287-V306 HydrophobicContact CE1-CG1 4.45Å; F287-V306 HydrophobicContact CZ-CG1 3.66Å; F287-W310 HydrophobicContact CB-CE3 4.39Å; F287-W310 HydrophobicContact CB-CH2 4.31Å; F287-W310 HydrophobicContact CB-CZ3 3.73Å; F287-W310 AromaticContact CD2-CE3 3.63Å; F287-W310 HydrophobicContact CD2-CE3 3.63Å; F287-W310 AromaticContact CD2-CZ3 3.85Å; F287-W310 HydrophobicContact CD2-CZ3 3.85Å; F287-W310 HydrophobicContact CE2-CE3 4.36Å; F287-W310 HydrophobicContact CG-CE3 4.4Å; F287-W310 HydrophobicContact CG-CZ3 4.18Å; F287-L311 HydrophobicContact CB-CD2 4.5Å; F287-L311 HydrophobicContact CD1-CD1 4.49Å; F287-L311 HydrophobicContact CD1-CD2 4.1Å; F287-L311 HydrophobicContact CD1-CG 4.5Å; F287-L311 HydrophobicContact CD2-CD2 3.94Å; F287-L311 HydrophobicContact CD2-CG 3.95Å; F287-L311 HydrophobicContact CE1-CD1 3.82Å; F287-L311 HydrophobicContact CE1-CD2 4.24Å; F287-L311 HydrophobicContact CE1-CG 4.2Å; F287-L311 HydrophobicContact CE2-CD1 3.94Å; F287-L311 HydrophobicContact CE2-CD2 4.11Å; F287-L311 HydrophobicContact CE2-CG 3.63Å; F287-L311 HydrophobicContact CG-CD2 3.94Å; F287-L311 HydrophobicContact CG-CG 4.39Å; F287-L311 HydrophobicContact CZ-CD1 3.5Å; F287-L311 VanDerWaalsContact CZ-CD1 3.5Å; F287-L311 HydrophobicContact CZ-CD2 4.24Å; F287-L311 HydrophobicContact CZ-CG 3.75Å; F287-L330 HydrophobicContact CB-CD1 4.34Å; F287-L330 WeakPolarHBondContact O-CD1 3.47Å; F287-I336 HydrophobicContact CD1-CD1 4.29Å; F287-I336 HydrophobicContact CD1-CG1 4.16Å; F287-I336 HydrophobicContact CD1-CG2 4.21Å; F287-I336 HydrophobicContact CE1-CG2 4.19Å |
| 288 | S | 97.7 | Very high | 98.1 | Very high | 44 Ų | 44 | 38.3 Ų | 38.3 | 31% | 0.308 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.2 | -25.2 | -179.7 | -62.2 | 0 | 0 | 0 | 0 | 112.9 | G284 H286 N332 R334 | G284-S288 WeakPolarHBondContact O-CB 3.22Å; G284-S288 PolarHBondContact O-N 3.38Å; G284-S288 VanDerWaalsContact O-N 3.12Å; G284-S288 PolarHBondContact O-OG 3.4Å; H286-S288 PolarHBondContact O-N 3.49Å; S288-N332 PolarHBondContact O-ND2 3.26Å; S288-R334 PolarHBondContact O-NH2 2.68Å |
| 289 | E | 98.4 | Very high | 98.2 | Very high | 96 Ų | 96 | 35.4 Ų | 35.4 | 45% | 0.449 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -95.8 | -14.7 | -179.9 | -66.5 | -62.7 | 120.2 | 0 | 0 | 113.8 | A266 K267 H286 F287 | A266-E289 HydrophobicContact CB-CB 4.31Å; K267-E289 VanDerWaalsContact CE-OE2 3.25Å; K267-E289 WeakPolarHBondContact CE-OE2 3.41Å; K267-E289 HydrophobicContact CG-CB 4Å; K267-E289 HydrophobicContact CG-CG 4.49Å; H286-E289 PolarHBondContact O-N 2.99Å; F287-E289 PolarHBondContact O-N 3Å |
| 290 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -63.4 | 146.8 | -177.6 | -74.6 | -177.5 | -174.9 | 0 | 0 | 112.8 | A266 F272 I282 H286 F287 A294 V296 R334 I336 | A266-M290 WeakPolarHBondContact O-CA 3.13Å; F272-M290 HydrophobicContact CD1-CE 3.87Å; F272-M290 HydrophobicContact CD2-CE 3.76Å; F272-M290 HydrophobicContact CD2-SD 3.95Å; F272-M290 HydrophobicContact CE1-CE 3.89Å; F272-M290 HydrophobicContact CE2-CE 3.78Å; F272-M290 HydrophobicContact CE2-CG 3.82Å; F272-M290 HydrophobicContact CE2-SD 3.72Å; F272-M290 HydrophobicContact CG-CE 3.81Å; F272-M290 HydrophobicContact CZ-CE 3.85Å; F272-M290 HydrophobicContact CZ-CG 3.85Å; F272-M290 HydrophobicContact CZ-SD 4.18Å; I282-M290 HydrophobicContact CD1-CE 4.47Å; I282-M290 HydrophobicContact CG2-CE 3.72Å; H286-M290 HydrophobicContact CB-CE 4.49Å; H286-M290 WeakPolarHBondContact O-CG 3.19Å; H286-M290 PolarHBondContact O-N 3.31Å; F287-M290 HydrophobicContact CD1-CE 4.14Å; F287-M290 HydrophobicContact CD1-SD 3.9Å; F287-M290 HydrophobicContact CE1-CE 4.46Å; F287-M290 PolarHBondContact O-N 3.48Å; M290-A294 HydrophobicContact CB-CB 3.85Å; M290-A294 HydrophobicContact CG-CB 4.23Å; M290-A294 HydrophobicContact SD-CB 3.91Å; M290-V296 HydrophobicContact CE-CG2 3.93Å; M290-V296 HydrophobicContact SD-CG2 3.72Å; M290-R334 VanDerWaalsContact O-CD 3.31Å; M290-R334 WeakPolarHBondContact O-CD 3.47Å; M290-R334 PolarHBondContact O-NE 3.02Å; M290-I336 HydrophobicContact CB-CD1 3.74Å; M290-I336 HydrophobicContact CG-CD1 4.34Å; M290-I336 HydrophobicContact SD-CD1 3.73Å |
| 291 | M | 98 | Very high | 97.2 | Very high | 67 Ų | 67 | 29.8 Ų | 29.8 | 33% | 0.33 | 16% | 0.16 | S | C | . | . | P | Polyproline II helix | trans | -65.5 | 159 | 172.3 | 65.9 | -178 | 66.4 | 0 | 0 | 111.9 | R268 A269 K270 D293 A294 | R268-M291 WeakPolarHBondContact O-CE 3.47Å; A269-M291 VanDerWaalsContact O-CE 3.27Å; A269-M291 WeakPolarHBondContact O-CE 3.14Å; K270-M291 HydrophobicContact CB-SD 3.69Å; K270-M291 HydrophobicContact CD-CG 4.04Å; K270-M291 HydrophobicContact CD-SD 3.54Å; K270-M291 VanDerWaalsContact CD-SD 3.54Å; K270-M291 HydrophobicContact CG-SD 4.18Å; M291-D293 PolarHBondContact O-N 3.42Å; M291-A294 HydrophobicContact CG-CB 4.4Å; M291-A294 WeakPolarHBondContact O-CB 3.48Å; M291-A294 PolarHBondContact O-N 3.36Å; M291-A294 VanDerWaalsContact O-N 3.14Å |
| 292 | D | 98.6 | Very high | 96.5 | Very high | 75 Ų | 75 | 31.1 Ų | 31.1 | 40% | 0.401 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 136.8 | 179 | -166 | 42.1 | 0 | 0 | 0 | 111.5 | K270 A294 R334 H335 | K270-D292 PolarHBondContact NZ-O 3.24Å; D292-A294 VanDerWaalsContact C-N 3.29Å; D292-A294 PolarHBondContact O-N 3.09Å; D292-R334 HydrophobicContact CB-CB 4.46Å; D292-R334 HydrophobicContact CB-CG 4.3Å; D292-R334 VanDerWaalsContact OD1-CA 3.3Å; D292-R334 WeakPolarHBondContact OD1-CA 3.34Å; D292-H335 IonicContact OD1-CE1 3.35Å; D292-H335 IonicContact OD1-CG 3.56Å; D292-H335 PolarHBondContact OD1-N 3.29Å; D292-H335 IonicContact OD1-ND1 2.73Å; D292-H335 PolarHBondContact OD1-ND1 3.35Å; D292-H335 IonicContact OD2-ND1 2.71Å |
| 293 | D | 98.6 | Very high | 96 | Very high | 39 Ų | 39 | 34.3 Ų | 34.3 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 35.1 | -173 | -76.9 | -40.8 | 0 | 0 | 0 | 114.1 | K270 M291 I295 R327 H335 I337 | K270-D293 WeakPolarHBondContact CE-O 3.37Å; K270-D293 VanDerWaalsContact NZ-CB 3.3Å; K270-D293 PolarHBondContact NZ-O 3.18Å; M291-D293 PolarHBondContact O-N 3.42Å; D293-I295 PolarHBondContact O-N 2.95Å; D293-R327 VanDerWaalsContact CG-NH2 3.34Å; D293-R327 IonicContact OD1-CZ 3.84Å; D293-R327 VanDerWaalsContact OD1-CZ 3.29Å; D293-R327 IonicContact OD1-NE 3.83Å; D293-R327 PolarHBondContact OD1-NE 3.43Å; D293-R327 IonicContact OD1-NH2 3.84Å; D293-R327 PolarHBondContact OD1-NH2 2.99Å; D293-R327 IonicContact OD2-CZ 3.83Å; D293-R327 IonicContact OD2-NE 2.78Å; D293-R327 IonicContact OD2-NH2 3.88Å; D293-R327 PolarHBondContact OD2-NH2 2.84Å; D293-H335 VanDerWaalsContact CA-O 3.29Å; D293-H335 WeakPolarHBondContact CA-O 3.44Å; D293-H335 PolarHBondContact N-O 3.49Å; D293-H335 VanDerWaalsContact OD1-CB 3.28Å; D293-H335 WeakPolarHBondContact OD1-CB 3.23Å; D293-I337 HydrophobicContact CB-CD1 4.04Å |
| 294 | A | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 133.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | K270 F272 M290 M291 D292 H335 I336 I337 | K270-A294 WeakPolarHBondContact O-CA 3.26Å; F272-A294 HydrophobicContact CD2-CB 4.33Å; F272-A294 HydrophobicContact CE2-CB 3.94Å; M290-A294 HydrophobicContact CB-CB 3.85Å; M290-A294 HydrophobicContact CG-CB 4.23Å; M290-A294 HydrophobicContact SD-CB 3.91Å; M291-A294 HydrophobicContact CG-CB 4.4Å; M291-A294 WeakPolarHBondContact O-CB 3.48Å; M291-A294 PolarHBondContact O-N 3.36Å; M291-A294 VanDerWaalsContact O-N 3.14Å; D292-A294 VanDerWaalsContact C-N 3.29Å; D292-A294 PolarHBondContact O-N 3.09Å; A294-H335 PolarHBondContact N-O 3.45Å; A294-I336 HydrophobicContact CB-CD1 4.08Å; A294-I337 PolarHBondContact O-N 3.07Å |
| 295 | I | 98.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.8 | 175.6 | -63.7 | 171.4 | 0 | 0 | 0 | 108.3 | L203 T207 I209 K270 I271 F272 D293 I337 L339 | L203-I295 HydrophobicContact CD2-CG2 3.95Å; T207-I295 HydrophobicContact CG2-CD1 3.81Å; T207-I295 HydrophobicContact CG2-CG1 4.37Å; I209-I295 HydrophobicContact CB-CD1 3.96Å; I209-I295 HydrophobicContact CD1-CD1 3.39Å; I209-I295 HydrophobicContact CD1-CG1 4.45Å; I209-I295 HydrophobicContact CG1-CD1 4.22Å; I209-I295 HydrophobicContact CG2-CD1 3.87Å; K270-I295 PolarHBondContact O-N 3.05Å; I271-I295 CarbonylContact C-O 3.59Å; I271-I295 WeakPolarHBondContact CA-O 3.21Å; F272-I295 PolarHBondContact N-O 2.81Å; D293-I295 PolarHBondContact O-N 2.95Å; I295-I337 CarbonylContact C-O 3.58Å; I295-I337 WeakPolarHBondContact CA-O 3.39Å; I295-I337 HydrophobicContact CG1-CB 4.14Å; I295-I337 HydrophobicContact CG1-CD1 4.28Å; I295-I337 HydrophobicContact CG1-CG2 4.36Å; I295-L339 HydrophobicContact CG2-CD1 3.85Å; I295-L339 HydrophobicContact CG2-CD2 4.47Å; I295-L339 HydrophobicContact CG2-CG 4.02Å |
| 296 | V | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.3 | 179.2 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | F272 I282 F287 M290 V306 I336 I337 L338 L339 | F272-V296 HydrophobicContact CB-CG1 4.49Å; F272-V296 HydrophobicContact CB-CG2 4.23Å; F272-V296 HydrophobicContact CD2-CG2 4.12Å; F272-V296 HydrophobicContact CG-CG2 4.45Å; I282-V296 HydrophobicContact CD1-CG1 3.77Å; F287-V296 HydrophobicContact CE1-CG1 4.31Å; F287-V296 HydrophobicContact CE1-CG2 4.14Å; M290-V296 HydrophobicContact CE-CG2 3.93Å; M290-V296 HydrophobicContact SD-CG2 3.72Å; V296-V306 HydrophobicContact CG1-CG1 4.04Å; V296-V306 HydrophobicContact CG1-CG2 4.18Å; V296-I336 HydrophobicContact CB-CG2 4.39Å; V296-I336 HydrophobicContact CG2-CG2 3.86Å; V296-I337 PolarHBondContact N-O 3.44Å; V296-L338 HydrophobicContact CB-CD1 4.31Å; V296-L338 HydrophobicContact CG1-CD1 4.25Å; V296-L339 PolarHBondContact O-N 2.85Å |
| 297 | C | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 158 | 175.2 | 71.4 | 0 | 0 | 0 | 0 | 112.1 | F272 V273 T274 L339 V345 | F272-C297 PolarHBondContact O-N 2.85Å; V273-C297 WeakPolarHBondContact CA-O 3.3Å; T274-C297 PolarHBondContact N-O 3.35Å; C297-L339 HydrophobicContact CB-CB 3.83Å; C297-L339 HydrophobicContact CB-CD1 3.94Å; C297-L339 HydrophobicContact CB-CG 4.07Å; C297-V345 HydrophobicContact CB-CB 3.87Å; C297-V345 HydrophobicContact CB-CG1 4.22Å; C297-V345 HydrophobicContact CB-CG2 3.81Å |
| 298 | N | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.7 | 175.5 | -178.4 | 27.4 | 0 | 0 | 0 | 109.8 | T274 G300 H301 F302 V306 G342 L344 V345 | T274-N298 PolarHBondContact O-OD1 3.16Å; T274-N298 VanDerWaalsContact OG1-CA 3.27Å; T274-N298 WeakPolarHBondContact OG1-CA 3.23Å; T274-N298 WeakPolarHBondContact OG1-CB 3.47Å; T274-N298 VanDerWaalsContact OG1-CG 3.29Å; T274-N298 PolarHBondContact OG1-OD1 3.25Å; N298-G300 PolarHBondContact OD1-N 2.67Å; N298-H301 PolarHBondContact ND2-O 3.41Å; N298-F302 PolarHBondContact ND2-O 2.7Å; N298-V306 HydrophobicContact CB-CG2 4.43Å; N298-G342 WeakPolarHBondContact CB-O 3.46Å; N298-G342 PolarHBondContact ND2-O 2.95Å; N298-L344 CarbonylContact O-C 3.6Å; N298-L344 WeakPolarHBondContact O-CA 3.25Å; N298-V345 WeakPolarHBondContact O-CB 3.47Å; N298-V345 WeakPolarHBondContact O-CG1 3.47Å; N298-V345 PolarHBondContact O-N 3.34Å |
| 299 | I | 97.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | trans | -131 | 4.4 | 170.2 | -161.5 | 167.9 | 0 | 0 | 0 | 111.4 | C195 L199 V224 V273 T274 A275 V345 N346 | C195-I299 HydrophobicContact CB-CD1 4.19Å; L199-I299 HydrophobicContact CB-CD1 3.78Å; L199-I299 HydrophobicContact CD1-CD1 4.02Å; L199-I299 HydrophobicContact CG-CD1 4.47Å; V224-I299 HydrophobicContact CG1-CG2 3.7Å; V273-I299 HydrophobicContact CG1-CG2 3.68Å; T274-I299 PolarHBondContact O-N 2.93Å; A275-I299 HydrophobicContact CB-CG2 4.09Å; I299-V345 HydrophobicContact CB-CG1 4.07Å; I299-V345 HydrophobicContact CD1-CG1 4.32Å; I299-V345 HydrophobicContact CG1-CG1 4.32Å; I299-N346 HydrophobicContact CD1-CB 3.94Å; I299-N346 HydrophobicContact CG1-CB 4.35Å | ||
| 300 | G | 90.4 | Very high | 95.6 | Very high | 24 Ų | 24 | 33.2 Ų | 33.2 | 25% | 0.247 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -90.3 | -107.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | T274 N298 E305 L344 | T274-G300 PolarHBondContact O-N 3.19Å; N298-G300 PolarHBondContact OD1-N 2.67Å; G300-E305 WeakPolarHBondContact CA-OE1 3.36Å; G300-L344 WeakPolarHBondContact O-CD2 3.45Å |
| 301 | H | 79.7 | Confident | 95.6 | Very high | 35 Ų | 35 | 33.2 Ų | 33.2 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -112.4 | 123.4 | -170 | -174.5 | 53.3 | 0 | 0 | 0 | 114.5 | T159 N298 D303 E305 | T159-H301 WeakPolarHBondContact CB-CE1 3.33Å; T159-H301 WeakPolarHBondContact CB-ND1 3.16Å; T159-H301 WeakPolarHBondContact CG2-CE1 3.39Å; T159-H301 WeakPolarHBondContact CG2-NE2 2.93Å; T159-H301 PolarHBondContact OG1-CE1 3.38Å; T159-H301 VanDerWaalsContact OG1-CG 3.27Å; T159-H301 PolarHBondContact OG1-ND1 3.38Å; N298-H301 PolarHBondContact ND2-O 3.41Å; H301-D303 PolarHBondContact O-N 2.62Å; H301-E305 PolarHBondContact N-OE1 3.2Å |
| 302 | F | 82.9 | Confident | 95.6 | Very high | 58 Ų | 58 | 33.9 Ų | 33.9 | 25% | 0.254 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41 | -122.3 | 178.3 | -68.4 | -54.9 | 0 | 0 | 0 | 112.1 | N298 R343 | N298-F302 PolarHBondContact ND2-O 2.7Å; F302-R343 WeakPolarHBondContact O-CA 3.39Å |
| 303 | D | 89.3 | Confident | 95.6 | Very high | 67 Ų | 67 | 36.4 Ų | 36.4 | 36% | 0.358 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 15 | -179.4 | 61.7 | -19.5 | 0 | 0 | 0 | 112.9 | H301 G342 R343 | H301-D303 PolarHBondContact O-N 2.62Å; D303-G342 WeakPolarHBondContact CA-O 2.9Å; D303-R343 HydrophobicContact CB-CG 3.81Å |
| 304 | T | 92.5 | Very high | 95.6 | Very high | 58 Ų | 58 | 36.6 Ų | 36.6 | 36% | 0.356 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -14.6 | -169.1 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | V279 D280 V306 | V279-T304 WeakPolarHBondContact CA-O 3.37Å; D280-T304 PolarHBondContact N-O 3.26Å; T304-V306 PolarHBondContact O-N 3.28Å |
| 305 | E | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -71.2 | -24.5 | 179.2 | -48.5 | -150.6 | -165.8 | 0 | 0 | 112.1 | T274 A275 T276 G277 C278 I281 I282 G300 H301 | T274-E305 VanDerWaalsContact CB-OE2 3.27Å; T274-E305 WeakPolarHBondContact CB-OE2 3.35Å; T274-E305 HydrophobicContact CG2-CB 4.18Å; T274-E305 WeakPolarHBondContact OG1-CB 3.3Å; A275-E305 PolarHBondContact N-OE2 2.93Å; T276-E305 WeakPolarHBondContact CB-OE2 3.29Å; T276-E305 PolarHBondContact N-OE1 2.84Å; T276-E305 PolarHBondContact N-OE2 2.87Å; T276-E305 VanDerWaalsContact OG1-CD 3.25Å; T276-E305 PolarHBondContact OG1-OE2 3.48Å; G277-E305 WeakPolarHBondContact CA-OE1 3.29Å; G277-E305 PolarHBondContact N-OE1 3.49Å; C278-E305 WeakPolarHBondContact O-CA 3.4Å; C278-E305 VanDerWaalsContact O-CG 3.3Å; C278-E305 WeakPolarHBondContact O-CG 3.45Å; I281-E305 WeakPolarHBondContact CA-O 3.43Å; I281-E305 HydrophobicContact CB-CB 4.37Å; I281-E305 VanDerWaalsContact CB-O 3.28Å; I281-E305 WeakPolarHBondContact CB-O 3.34Å; I281-E305 HydrophobicContact CG1-CB 4.11Å; I281-E305 PolarHBondContact N-O 2.86Å; I282-E305 PolarHBondContact N-O 3.22Å; G300-E305 WeakPolarHBondContact CA-OE1 3.36Å; H301-E305 PolarHBondContact N-OE1 3.2Å |
| 306 | V | 98.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -116.8 | 126.7 | -177.7 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | T274 I282 F287 V296 N298 T304 V308 L338 | T274-V306 HydrophobicContact CG2-CG2 3.99Å; I282-V306 HydrophobicContact CB-CG1 4.43Å; I282-V306 HydrophobicContact CB-CG2 4.46Å; I282-V306 HydrophobicContact CD1-CG2 4.47Å; F287-V306 HydrophobicContact CE1-CG1 4.45Å; F287-V306 HydrophobicContact CZ-CG1 3.66Å; V296-V306 HydrophobicContact CG1-CG1 4.04Å; V296-V306 HydrophobicContact CG1-CG2 4.18Å; N298-V306 HydrophobicContact CB-CG2 4.43Å; T304-V306 PolarHBondContact O-N 3.28Å; V306-V308 HydrophobicContact CB-CG2 4.24Å; V306-V308 HydrophobicContact CG1-CG2 4.01Å; V306-V308 PolarHBondContact O-N 2.75Å; V306-L338 HydrophobicContact CG1-CD1 4.22Å |
| 307 | D | 98.1 | Very high | 95.4 | Very high | 46 Ų | 46 | 45 Ų | 45 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | trans | -76.2 | 71.1 | 177.4 | -170.3 | -4.5 | 0 | 0 | 0 | 111.3 | I282 K309 W310 L311 | I282-D307 WeakPolarHBondContact O-CB 3.47Å; I282-D307 PolarHBondContact O-N 3.05Å; D307-K309 PolarHBondContact O-N 3.48Å; D307-W310 HydrophobicContact CB-CB 4.23Å; D307-W310 VanDerWaalsContact CG-CB 3.4Å; D307-W310 PolarHBondContact O-N 2.86Å; D307-W310 WeakPolarHBondContact OD1-CB 3.34Å; D307-W310 PolarHBondContact OD1-N 3.25Å; D307-W310 VanDerWaalsContact OD2-CB 3.29Å; D307-W310 WeakPolarHBondContact OD2-CB 3.48Å; D307-L311 PolarHBondContact O-N 3.38Å | ||
| 308 | V | 98 | Very high | 95.4 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -29.7 | 178.2 | -178.6 | 0 | 0 | 0 | 0 | 111 | V306 W310 L311 N312 L338 | V306-V308 HydrophobicContact CB-CG2 4.24Å; V306-V308 HydrophobicContact CG1-CG2 4.01Å; V306-V308 PolarHBondContact O-N 2.75Å; V308-W310 VanDerWaalsContact C-N 3.34Å; V308-W310 PolarHBondContact O-N 2.92Å; V308-L311 WeakPolarHBondContact O-CB 3.15Å; V308-L311 PolarHBondContact O-N 3.49Å; V308-N312 PolarHBondContact O-N 2.65Å; V308-N312 PolarHBondContact O-ND2 3.4Å; V308-L338 HydrophobicContact CB-CD2 4.35Å; V308-L338 HydrophobicContact CG1-CD2 3.7Å; V308-L338 HydrophobicContact CG2-CD1 4.44Å; V308-L338 HydrophobicContact CG2-CD2 3.81Å |
| 309 | K | 97.7 | Very high | 95.4 | Very high | 134 Ų | 134 | 53.8 Ų | 53.8 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.2 | -46.6 | 174.6 | -178.7 | -179.1 | 173.4 | -176 | 0 | 110.8 | D307 L311 N312 E313 | D307-K309 PolarHBondContact O-N 3.48Å; K309-L311 VanDerWaalsContact C-N 3.3Å; K309-L311 PolarHBondContact O-N 3.42Å; K309-N312 PolarHBondContact O-N 2.75Å; K309-E313 WeakPolarHBondContact CE-OE1 3.3Å; K309-E313 HydrophobicContact CG-CG 4.4Å; K309-E313 IonicContact NZ-OE1 3.37Å; K309-E313 WeakPolarHBondContact O-CG 3.3Å; K309-E313 PolarHBondContact O-N 3.42Å |
| 310 | W | 98.3 | Very high | 95.4 | Very high | 61 Ų | 61 | 57.4 Ų | 57.4 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 176.6 | -176.6 | 98.7 | 0 | 0 | 0 | 112.3 | F287 D307 V308 E313 N314 L330 | F287-W310 HydrophobicContact CB-CE3 4.39Å; F287-W310 HydrophobicContact CB-CH2 4.31Å; F287-W310 HydrophobicContact CB-CZ3 3.73Å; F287-W310 AromaticContact CD2-CE3 3.63Å; F287-W310 HydrophobicContact CD2-CE3 3.63Å; F287-W310 AromaticContact CD2-CZ3 3.85Å; F287-W310 HydrophobicContact CD2-CZ3 3.85Å; F287-W310 HydrophobicContact CE2-CE3 4.36Å; F287-W310 HydrophobicContact CG-CE3 4.4Å; F287-W310 HydrophobicContact CG-CZ3 4.18Å; D307-W310 HydrophobicContact CB-CB 4.23Å; D307-W310 VanDerWaalsContact CG-CB 3.4Å; D307-W310 PolarHBondContact O-N 2.86Å; D307-W310 WeakPolarHBondContact OD1-CB 3.34Å; D307-W310 PolarHBondContact OD1-N 3.25Å; D307-W310 VanDerWaalsContact OD2-CB 3.29Å; D307-W310 WeakPolarHBondContact OD2-CB 3.48Å; V308-W310 VanDerWaalsContact C-N 3.34Å; V308-W310 PolarHBondContact O-N 2.92Å; W310-E313 PolarHBondContact O-N 3.29Å; W310-N314 HydrophobicContact CD2-CB 4.02Å; W310-N314 HydrophobicContact CE3-CB 4.28Å; W310-N314 HydrophobicContact CH2-CB 4.19Å; W310-N314 HydrophobicContact CZ2-CB 3.91Å; W310-N314 HydrophobicContact CZ3-CB 4.36Å; W310-N314 PolarHBondContact NE1-ND2 2.86Å; W310-N314 VanDerWaalsContact O-CB 3.24Å; W310-N314 WeakPolarHBondContact O-CB 3.48Å; W310-N314 PolarHBondContact O-N 3.5Å; W310-N314 PolarHBondContact O-ND2 3.42Å; W310-L330 HydrophobicContact CZ3-CD2 4.16Å |
| 311 | L | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.7 | -49.1 | 175.8 | -78 | 173 | 0 | 0 | 0 | 111.3 | F287 D307 V308 K309 E313 N314 C315 Y328 L330 I336 L338 | F287-L311 HydrophobicContact CB-CD2 4.5Å; F287-L311 HydrophobicContact CD1-CD1 4.49Å; F287-L311 HydrophobicContact CD1-CD2 4.1Å; F287-L311 HydrophobicContact CD1-CG 4.5Å; F287-L311 HydrophobicContact CD2-CD2 3.94Å; F287-L311 HydrophobicContact CD2-CG 3.95Å; F287-L311 HydrophobicContact CE1-CD1 3.82Å; F287-L311 HydrophobicContact CE1-CD2 4.24Å; F287-L311 HydrophobicContact CE1-CG 4.2Å; F287-L311 HydrophobicContact CE2-CD1 3.94Å; F287-L311 HydrophobicContact CE2-CD2 4.11Å; F287-L311 HydrophobicContact CE2-CG 3.63Å; F287-L311 HydrophobicContact CG-CD2 3.94Å; F287-L311 HydrophobicContact CG-CG 4.39Å; F287-L311 HydrophobicContact CZ-CD1 3.5Å; F287-L311 VanDerWaalsContact CZ-CD1 3.5Å; F287-L311 HydrophobicContact CZ-CD2 4.24Å; F287-L311 HydrophobicContact CZ-CG 3.75Å; D307-L311 PolarHBondContact O-N 3.38Å; V308-L311 WeakPolarHBondContact O-CB 3.15Å; V308-L311 PolarHBondContact O-N 3.49Å; K309-L311 VanDerWaalsContact C-N 3.3Å; K309-L311 PolarHBondContact O-N 3.42Å; L311-E313 VanDerWaalsContact C-N 3.29Å; L311-E313 PolarHBondContact O-N 2.9Å; L311-N314 PolarHBondContact O-N 2.92Å; L311-C315 VanDerWaalsContact O-CB 3.22Å; L311-C315 WeakPolarHBondContact O-CB 3.02Å; L311-C315 PolarHBondContact O-N 3.27Å; L311-C315 PolarHBondContact O-SG 3.5Å; L311-Y328 HydrophobicContact CB-CD1 3.79Å; L311-Y328 HydrophobicContact CB-CE1 3.69Å; L311-Y328 HydrophobicContact CB-CG 4.4Å; L311-Y328 HydrophobicContact CD1-CD2 4.42Å; L311-Y328 HydrophobicContact CD1-CE2 4.45Å; L311-Y328 HydrophobicContact CD2-CD1 4.39Å; L311-Y328 HydrophobicContact CD2-CG 4.34Å; L311-L330 HydrophobicContact CD2-CD2 3.91Å; L311-I336 HydrophobicContact CD2-CG1 4.43Å; L311-L338 HydrophobicContact CD1-CD2 4.14Å |
| 312 | N | 97.8 | Very high | 96.7 | Very high | 81 Ų | 81 | 62.5 Ų | 62.5 | 43% | 0.433 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 179.2 | -68.8 | -23.6 | 0 | 0 | 0 | 112.4 | V308 K309 Y328 | V308-N312 PolarHBondContact O-N 2.65Å; V308-N312 PolarHBondContact O-ND2 3.4Å; K309-N312 PolarHBondContact O-N 2.75Å; N312-Y328 VanDerWaalsContact OD1-CE1 3.29Å; N312-Y328 WeakPolarHBondContact OD1-CE1 3.28Å; N312-Y328 PolarHBondContact OD1-OH 3.11Å |
| 313 | E | 98.1 | Very high | 97.3 | Very high | 128 Ų | 128 | 64.5 Ų | 64.5 | 60% | 0.598 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -84 | -23.6 | -178 | -69.4 | 178.7 | 169.6 | 0 | 0 | 114.1 | K309 W310 L311 | K309-E313 WeakPolarHBondContact CE-OE1 3.3Å; K309-E313 HydrophobicContact CG-CG 4.4Å; K309-E313 IonicContact NZ-OE1 3.37Å; K309-E313 WeakPolarHBondContact O-CG 3.3Å; K309-E313 PolarHBondContact O-N 3.42Å; W310-E313 PolarHBondContact O-N 3.29Å; L311-E313 VanDerWaalsContact C-N 3.29Å; L311-E313 PolarHBondContact O-N 2.9Å |
| 314 | N | 98.3 | Very high | 97.7 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 24% | 0.235 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -118.2 | -8.1 | -169.6 | -68.9 | -84.4 | 0 | 0 | 0 | 115.6 | W310 L311 K331 | W310-N314 HydrophobicContact CD2-CB 4.02Å; W310-N314 HydrophobicContact CE3-CB 4.28Å; W310-N314 HydrophobicContact CH2-CB 4.19Å; W310-N314 HydrophobicContact CZ2-CB 3.91Å; W310-N314 HydrophobicContact CZ3-CB 4.36Å; W310-N314 PolarHBondContact NE1-ND2 2.86Å; W310-N314 VanDerWaalsContact O-CB 3.24Å; W310-N314 WeakPolarHBondContact O-CB 3.48Å; W310-N314 PolarHBondContact O-N 3.5Å; W310-N314 PolarHBondContact O-ND2 3.42Å; L311-N314 PolarHBondContact O-N 2.92Å; N314-K331 WeakPolarHBondContact O-CE 3.43Å |
| 315 | C | 97.6 | Very high | 98 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 17% | 0.169 | 32% | 0.321 | C | S | . | . | trans | -70.7 | 161 | 172.4 | 71 | 0 | 0 | 0 | 0 | 112.3 | L311 I318 Y328 T329 | L311-C315 VanDerWaalsContact O-CB 3.22Å; L311-C315 WeakPolarHBondContact O-CB 3.02Å; L311-C315 PolarHBondContact O-N 3.27Å; L311-C315 PolarHBondContact O-SG 3.5Å; C315-I318 WeakPolarHBondContact SG-CG1 3.39Å; C315-Y328 HydrophobicContact CB-CD1 3.97Å; C315-T329 CarbonylContact C-O 3.59Å; C315-T329 WeakPolarHBondContact CA-O 3.34Å; C315-T329 WeakPolarHBondContact CB-O 3.39Å | ||
| 316 | V | 98.3 | Very high | 98.1 | Very high | 99 Ų | 99 | 61.3 Ų | 61.3 | 60% | 0.6 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -82.3 | -39.1 | 171.5 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | T329 K331 | V316-T329 HydrophobicContact CB-CG2 4.34Å; V316-T329 PolarHBondContact N-O 3.19Å; V316-K331 HydrophobicContact CG2-CG 4.16Å |
| 317 | S | 98.3 | Very high | 98.1 | Very high | 56 Ų | 56 | 63.6 Ų | 63.6 | 39% | 0.392 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 155.2 | 178.2 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | T329 | S317-T329 PolarHBondContact O-N 3.26Å; S317-T329 WeakPolarHBondContact OG-CB 3.41Å; S317-T329 PolarHBondContact OG-OG1 3.25Å |
| 318 | I | 98.3 | Very high | 98.1 | Very high | 80 Ų | 80 | 61.8 Ų | 61.8 | 41% | 0.41 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.5 | 171.8 | -48.8 | 177.2 | 0 | 0 | 0 | 107.2 | C315 D326 Y328 | C315-I318 WeakPolarHBondContact SG-CG1 3.39Å; I318-D326 HydrophobicContact CG2-CB 4.21Å; I318-Y328 HydrophobicContact CB-CE1 4.48Å; I318-Y328 HydrophobicContact CD1-CD1 4.17Å; I318-Y328 HydrophobicContact CD1-CE1 3.52Å; I318-Y328 HydrophobicContact CG1-CD1 3.76Å; I318-Y328 HydrophobicContact CG1-CE1 3.63Å; I318-Y328 HydrophobicContact CG2-CD1 4.41Å; I318-Y328 HydrophobicContact CG2-CE1 4.12Å; I318-Y328 HydrophobicContact CG2-CE2 4.34Å |
| 319 | E | 98.3 | Very high | 98.1 | Very high | 103 Ų | 103 | 62.1 Ų | 62.1 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 113.8 | 172.9 | -177 | -176 | -171 | 0 | 0 | 108.9 | I321 R327 | E319-I321 HydrophobicContact CG-CD1 3.93Å; E319-I321 PolarHBondContact O-N 3.47Å; E319-R327 HydrophobicContact CB-CB 4.42Å; E319-R327 PolarHBondContact N-O 3.29Å; E319-R327 PolarHBondContact O-N 2.84Å |
| 320 | S | 97.9 | Very high | 98.2 | Very high | 84 Ų | 84 | 56 Ų | 56 | 59% | 0.587 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 111.7 | 172.5 | -162.8 | 0 | 0 | 0 | 0 | 109.4 | D326 | S320-D326 WeakPolarHBondContact CA-OD1 3.48Å; S320-D326 WeakPolarHBondContact CB-OD1 3.32Å; S320-D326 PolarHBondContact OG-OD1 3.44Å |
| 321 | I | 98.3 | Very high | 98.2 | Very high | 86 Ų | 86 | 60.4 Ų | 60.4 | 44% | 0.441 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -44.3 | -175.5 | -56.7 | -61.6 | 0 | 0 | 0 | 110.1 | E319 V325 R327 | E319-I321 HydrophobicContact CG-CD1 3.93Å; E319-I321 PolarHBondContact O-N 3.47Å; I321-V325 HydrophobicContact CB-CB 4.42Å; I321-V325 HydrophobicContact CB-CG1 4.19Å; I321-V325 WeakPolarHBondContact CB-O 3.47Å; I321-V325 HydrophobicContact CG1-CG1 4.44Å; I321-V325 PolarHBondContact N-O 3.47Å; I321-R327 HydrophobicContact CD1-CB 3.95Å; I321-R327 HydrophobicContact CG1-CB 3.97Å |
| 322 | K | 98 | Very high | 98.1 | Very high | 80 Ų | 80 | 63.9 Ų | 63.9 | 35% | 0.348 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 171.5 | 175.1 | 64.1 | -180 | 174.2 | -169.8 | 0 | 107.8 | R205 A206 Q324 V325 | R205-K322 PolarHBondContact O-NZ 3.14Å; A206-K322 WeakPolarHBondContact O-CE 3.38Å; A206-K322 PolarHBondContact O-NZ 3.39Å; K322-Q324 PolarHBondContact O-N 3.14Å; K322-V325 HydrophobicContact CD-CG2 4.4Å; K322-V325 HydrophobicContact CG-CB 3.92Å; K322-V325 HydrophobicContact CG-CG2 3.85Å; K322-V325 PolarHBondContact O-N 3.04Å |
| 323 | P | 96.8 | Very high | 98.1 | Very high | 100 Ų | 100 | 62.3 Ų | 62.3 | 65% | 0.649 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | 128.7 | 176.9 | -28.3 | 36.4 | 0 | 0 | 0 | 111.9 | V325 | P323-V325 VanDerWaalsContact C-N 3.27Å; P323-V325 PolarHBondContact O-N 2.89Å |
| 324 | Q | 97 | Very high | 98.1 | Very high | 33 Ų | 33 | 60.3 Ų | 60.3 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 19.7 | 178.3 | -67.5 | 62.3 | 62.8 | 0 | 0 | 114.8 | F81 K322 A340 | F81-Q324 HydrophobicContact CG-CG 4.47Å; K322-Q324 PolarHBondContact O-N 3.14Å; Q324-A340 HydrophobicContact CB-CB 4.37Å; Q324-A340 HydrophobicContact CG-CB 4.49Å; Q324-A340 PolarHBondContact O-N 2.83Å |
| 325 | V | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 107.5 | 172.3 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | A206 I321 K322 P323 I337 L339 | A206-V325 HydrophobicContact CB-CG2 3.82Å; I321-V325 HydrophobicContact CB-CB 4.42Å; I321-V325 HydrophobicContact CB-CG1 4.19Å; I321-V325 WeakPolarHBondContact CB-O 3.47Å; I321-V325 HydrophobicContact CG1-CG1 4.44Å; I321-V325 PolarHBondContact N-O 3.47Å; K322-V325 HydrophobicContact CD-CG2 4.4Å; K322-V325 HydrophobicContact CG-CB 3.92Å; K322-V325 HydrophobicContact CG-CG2 3.85Å; K322-V325 PolarHBondContact O-N 3.04Å; P323-V325 VanDerWaalsContact C-N 3.27Å; P323-V325 PolarHBondContact O-N 2.89Å; V325-I337 HydrophobicContact CG1-CG2 4Å; V325-L339 HydrophobicContact CG1-CD2 4.12Å; V325-L339 HydrophobicContact CG2-CD2 4.26Å |
| 326 | D | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 58.7 Ų | 58.7 | 10% | 0.096 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.1 | -177.6 | -58.6 | -66.3 | 0 | 0 | 0 | 110.6 | I318 S320 Y328 I337 L338 | I318-D326 HydrophobicContact CG2-CB 4.21Å; S320-D326 WeakPolarHBondContact CA-OD1 3.48Å; S320-D326 WeakPolarHBondContact CB-OD1 3.32Å; S320-D326 PolarHBondContact OG-OD1 3.44Å; D326-Y328 HydrophobicContact CB-CD2 4.44Å; D326-Y328 HydrophobicContact CB-CE2 3.84Å; D326-I337 CarbonylContact O-C 3.54Å; D326-I337 WeakPolarHBondContact O-CA 3.27Å; D326-L338 PolarHBondContact N-O 3.03Å; D326-L338 VanDerWaalsContact N-O 3.1Å; D326-L338 PolarHBondContact O-N 2.82Å |
| 327 | R | 98.8 | Very high | 98.2 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 110.5 | 179.4 | -170.2 | 175.3 | -173.2 | -107.1 | -0.5 | 109.5 | D293 E319 I321 H335 I336 I337 | D293-R327 VanDerWaalsContact CG-NH2 3.34Å; D293-R327 IonicContact OD1-CZ 3.84Å; D293-R327 VanDerWaalsContact OD1-CZ 3.29Å; D293-R327 IonicContact OD1-NE 3.83Å; D293-R327 PolarHBondContact OD1-NE 3.43Å; D293-R327 IonicContact OD1-NH2 3.84Å; D293-R327 PolarHBondContact OD1-NH2 2.99Å; D293-R327 IonicContact OD2-CZ 3.83Å; D293-R327 IonicContact OD2-NE 2.78Å; D293-R327 IonicContact OD2-NH2 3.88Å; D293-R327 PolarHBondContact OD2-NH2 2.84Å; E319-R327 HydrophobicContact CB-CB 4.42Å; E319-R327 PolarHBondContact N-O 3.29Å; E319-R327 PolarHBondContact O-N 2.84Å; I321-R327 HydrophobicContact CD1-CB 3.95Å; I321-R327 HydrophobicContact CG1-CB 3.97Å; R327-H335 HydrophobicContact CG-CB 4.21Å; R327-H335 PolarHBondContact NH1-CD2 3.45Å; R327-H335 PolarHBondContact NH1-NE2 3.4Å; R327-H335 PolarHBondContact NH2-CD2 2.98Å; R327-H335 PolarHBondContact NH2-CE1 2.88Å; R327-H335 PolarHBondContact NH2-ND1 2.9Å; R327-H335 VanDerWaalsContact NH2-ND1 3.17Å; R327-I336 CarbonylContact C-O 3.54Å; R327-I336 WeakPolarHBondContact CA-O 3.33Å; R327-I337 HydrophobicContact CG-CG1 4.32Å |
| 328 | Y | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.1 | 179.8 | -69.9 | -101.9 | 0 | 0 | 0 | 109.9 | L311 N312 C315 I318 D326 H335 I336 L338 | L311-Y328 HydrophobicContact CB-CD1 3.79Å; L311-Y328 HydrophobicContact CB-CE1 3.69Å; L311-Y328 HydrophobicContact CB-CG 4.4Å; L311-Y328 HydrophobicContact CD1-CD2 4.42Å; L311-Y328 HydrophobicContact CD1-CE2 4.45Å; L311-Y328 HydrophobicContact CD2-CD1 4.39Å; L311-Y328 HydrophobicContact CD2-CG 4.34Å; N312-Y328 VanDerWaalsContact OD1-CE1 3.29Å; N312-Y328 WeakPolarHBondContact OD1-CE1 3.28Å; N312-Y328 PolarHBondContact OD1-OH 3.11Å; C315-Y328 HydrophobicContact CB-CD1 3.97Å; I318-Y328 HydrophobicContact CB-CE1 4.48Å; I318-Y328 HydrophobicContact CD1-CD1 4.17Å; I318-Y328 HydrophobicContact CD1-CE1 3.52Å; I318-Y328 HydrophobicContact CG1-CD1 3.76Å; I318-Y328 HydrophobicContact CG1-CE1 3.63Å; I318-Y328 HydrophobicContact CG2-CD1 4.41Å; I318-Y328 HydrophobicContact CG2-CE1 4.12Å; I318-Y328 HydrophobicContact CG2-CE2 4.34Å; D326-Y328 HydrophobicContact CB-CD2 4.44Å; D326-Y328 HydrophobicContact CB-CE2 3.84Å; Y328-H335 CarbonylContact O-C 3.55Å; Y328-H335 WeakPolarHBondContact O-CA 3.27Å; Y328-I336 PolarHBondContact N-O 2.87Å; Y328-I336 PolarHBondContact O-N 2.79Å; Y328-L338 HydrophobicContact CD2-CB 4.09Å; Y328-L338 HydrophobicContact CE2-CB 3.74Å; Y328-L338 HydrophobicContact CE2-CD2 3.83Å; Y328-L338 HydrophobicContact CE2-CG 4.45Å |
| 329 | T | 98.8 | Very high | 98.3 | Very high | 27 Ų | 27 | 49 Ų | 49 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 117.8 | 169.6 | -55.7 | 0 | 0 | 0 | 0 | 108.9 | C315 V316 S317 H335 | C315-T329 CarbonylContact C-O 3.59Å; C315-T329 WeakPolarHBondContact CA-O 3.34Å; C315-T329 WeakPolarHBondContact CB-O 3.39Å; V316-T329 HydrophobicContact CB-CG2 4.34Å; V316-T329 PolarHBondContact N-O 3.19Å; S317-T329 PolarHBondContact O-N 3.26Å; S317-T329 WeakPolarHBondContact OG-CB 3.41Å; S317-T329 PolarHBondContact OG-OG1 3.25Å; T329-H335 PolarHBondContact OG1-CD2 2.64Å |
| 330 | L | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -84.4 | 164.3 | 179.6 | -58.2 | -175.5 | 0 | 0 | 0 | 112 | F287 W310 L311 N332 G333 R334 I336 | F287-L330 HydrophobicContact CB-CD1 4.34Å; F287-L330 WeakPolarHBondContact O-CD1 3.47Å; W310-L330 HydrophobicContact CZ3-CD2 4.16Å; L311-L330 HydrophobicContact CD2-CD2 3.91Å; L330-N332 WeakPolarHBondContact CB-OD1 3.3Å; L330-N332 PolarHBondContact O-N 3.32Å; L330-N332 VanDerWaalsContact O-N 3.13Å; L330-G333 PolarHBondContact O-N 2.84Å; L330-R334 WeakPolarHBondContact CB-O 3.47Å; L330-R334 PolarHBondContact N-O 2.75Å; L330-I336 HydrophobicContact CD1-CD1 4.32Å; L330-I336 HydrophobicContact CD1-CG1 3.86Å; L330-I336 HydrophobicContact CD2-CG1 4.42Å; L330-I336 HydrophobicContact CG-CG1 4.18Å |
| 331 | K | 97.8 | Very high | 98.2 | Very high | 153 Ų | 153 | 43.4 Ų | 43.4 | 67% | 0.665 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.3 | 177.4 | -69.5 | 171.9 | -177.5 | 163.3 | 0 | 113.9 | N314 V316 G333 | N314-K331 WeakPolarHBondContact O-CE 3.43Å; V316-K331 HydrophobicContact CG2-CG 4.16Å; K331-G333 VanDerWaalsContact C-N 3.27Å |
| 332 | N | 97 | Very high | 98.2 | Very high | 74 Ų | 74 | 39.3 Ų | 39.3 | 40% | 0.396 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 0.6 | 175.5 | 66.3 | 9.9 | 0 | 0 | 0 | 113.3 | S288 L330 R334 | S288-N332 PolarHBondContact O-ND2 3.26Å; L330-N332 WeakPolarHBondContact CB-OD1 3.3Å; L330-N332 PolarHBondContact O-N 3.32Å; L330-N332 VanDerWaalsContact O-N 3.13Å; N332-R334 VanDerWaalsContact C-N 3.3Å; N332-R334 PolarHBondContact ND2-NH2 2.95Å; N332-R334 PolarHBondContact O-N 2.82Å; N332-R334 WeakPolarHBondContact OD1-CB 3.33Å; N332-R334 PolarHBondContact OD1-N 2.95Å |
| 333 | G | 97.8 | Very high | 98 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 50% | 0.495 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 81.7 | -2.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L330 K331 | L330-G333 PolarHBondContact O-N 2.84Å; K331-G333 VanDerWaalsContact C-N 3.27Å |
| 334 | R | 98.5 | Very high | 98 | Very high | 86 Ų | 86 | 33.3 Ų | 33.3 | 33% | 0.325 | 17% | 0.166 | S | C | . | . | trans | -84 | 160 | 172.4 | -65.3 | -165.6 | -73.1 | -109.1 | 7.2 | 111.4 | S288 M290 D292 L330 N332 | S288-R334 PolarHBondContact O-NH2 2.68Å; M290-R334 VanDerWaalsContact O-CD 3.31Å; M290-R334 WeakPolarHBondContact O-CD 3.47Å; M290-R334 PolarHBondContact O-NE 3.02Å; D292-R334 HydrophobicContact CB-CB 4.46Å; D292-R334 HydrophobicContact CB-CG 4.3Å; D292-R334 VanDerWaalsContact OD1-CA 3.3Å; D292-R334 WeakPolarHBondContact OD1-CA 3.34Å; L330-R334 WeakPolarHBondContact CB-O 3.47Å; L330-R334 PolarHBondContact N-O 2.75Å; N332-R334 VanDerWaalsContact C-N 3.3Å; N332-R334 PolarHBondContact ND2-NH2 2.95Å; N332-R334 PolarHBondContact O-N 2.82Å; N332-R334 WeakPolarHBondContact OD1-CB 3.33Å; N332-R334 PolarHBondContact OD1-N 2.95Å | ||
| 335 | H | 98.7 | Very high | 98 | Very high | 34 Ų | 34 | 31.8 Ų | 31.8 | 16% | 0.157 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 147.7 | -177.2 | -50.9 | 82.2 | 0 | 0 | 0 | 112.5 | D292 D293 A294 R327 Y328 T329 | D292-H335 IonicContact OD1-CE1 3.35Å; D292-H335 IonicContact OD1-CG 3.56Å; D292-H335 PolarHBondContact OD1-N 3.29Å; D292-H335 IonicContact OD1-ND1 2.73Å; D292-H335 PolarHBondContact OD1-ND1 3.35Å; D292-H335 IonicContact OD2-ND1 2.71Å; D293-H335 VanDerWaalsContact CA-O 3.29Å; D293-H335 WeakPolarHBondContact CA-O 3.44Å; D293-H335 PolarHBondContact N-O 3.49Å; D293-H335 VanDerWaalsContact OD1-CB 3.28Å; D293-H335 WeakPolarHBondContact OD1-CB 3.23Å; A294-H335 PolarHBondContact N-O 3.45Å; R327-H335 HydrophobicContact CG-CB 4.21Å; R327-H335 PolarHBondContact NH1-CD2 3.45Å; R327-H335 PolarHBondContact NH1-NE2 3.4Å; R327-H335 PolarHBondContact NH2-CD2 2.98Å; R327-H335 PolarHBondContact NH2-CE1 2.88Å; R327-H335 PolarHBondContact NH2-ND1 2.9Å; R327-H335 VanDerWaalsContact NH2-ND1 3.17Å; Y328-H335 CarbonylContact O-C 3.55Å; Y328-H335 WeakPolarHBondContact O-CA 3.27Å; T329-H335 PolarHBondContact OG1-CD2 2.64Å |
| 336 | I | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.4 | 170.1 | -56.2 | -61.8 | 0 | 0 | 0 | 108.2 | F287 M290 A294 V296 L311 R327 Y328 L330 | F287-I336 HydrophobicContact CD1-CD1 4.29Å; F287-I336 HydrophobicContact CD1-CG1 4.16Å; F287-I336 HydrophobicContact CD1-CG2 4.21Å; F287-I336 HydrophobicContact CE1-CG2 4.19Å; M290-I336 HydrophobicContact CB-CD1 3.74Å; M290-I336 HydrophobicContact CG-CD1 4.34Å; M290-I336 HydrophobicContact SD-CD1 3.73Å; A294-I336 HydrophobicContact CB-CD1 4.08Å; V296-I336 HydrophobicContact CB-CG2 4.39Å; V296-I336 HydrophobicContact CG2-CG2 3.86Å; L311-I336 HydrophobicContact CD2-CG1 4.43Å; R327-I336 CarbonylContact C-O 3.54Å; R327-I336 WeakPolarHBondContact CA-O 3.33Å; Y328-I336 PolarHBondContact N-O 2.87Å; Y328-I336 PolarHBondContact O-N 2.79Å; L330-I336 HydrophobicContact CD1-CD1 4.32Å; L330-I336 HydrophobicContact CD1-CG1 3.86Å; L330-I336 HydrophobicContact CD2-CG1 4.42Å; L330-I336 HydrophobicContact CG-CG1 4.18Å |
| 337 | I | 98.9 | Very high | 97.7 | Very high | 30 Ų | 30 | 31.9 Ų | 31.9 | 15% | 0.154 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 107.2 | 171.4 | -60.9 | 171.6 | 0 | 0 | 0 | 107.1 | T207 D293 A294 I295 V296 V325 D326 R327 L339 | T207-I337 HydrophobicContact CG2-CG2 4.29Å; D293-I337 HydrophobicContact CB-CD1 4.04Å; A294-I337 PolarHBondContact O-N 3.07Å; I295-I337 CarbonylContact C-O 3.58Å; I295-I337 WeakPolarHBondContact CA-O 3.39Å; I295-I337 HydrophobicContact CG1-CB 4.14Å; I295-I337 HydrophobicContact CG1-CD1 4.28Å; I295-I337 HydrophobicContact CG1-CG2 4.36Å; V296-I337 PolarHBondContact N-O 3.44Å; V325-I337 HydrophobicContact CG1-CG2 4Å; D326-I337 CarbonylContact O-C 3.54Å; D326-I337 WeakPolarHBondContact O-CA 3.27Å; R327-I337 HydrophobicContact CG-CG1 4.32Å; I337-L339 HydrophobicContact CG2-CD2 3.9Å |
| 338 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132.4 | 176.9 | -176.5 | 67.2 | 0 | 0 | 0 | 109.6 | V296 V306 V308 L311 D326 Y328 | V296-L338 HydrophobicContact CB-CD1 4.31Å; V296-L338 HydrophobicContact CG1-CD1 4.25Å; V306-L338 HydrophobicContact CG1-CD1 4.22Å; V308-L338 HydrophobicContact CB-CD2 4.35Å; V308-L338 HydrophobicContact CG1-CD2 3.7Å; V308-L338 HydrophobicContact CG2-CD1 4.44Å; V308-L338 HydrophobicContact CG2-CD2 3.81Å; L311-L338 HydrophobicContact CD1-CD2 4.14Å; D326-L338 PolarHBondContact N-O 3.03Å; D326-L338 VanDerWaalsContact N-O 3.1Å; D326-L338 PolarHBondContact O-N 2.82Å; Y328-L338 HydrophobicContact CD2-CB 4.09Å; Y328-L338 HydrophobicContact CE2-CB 3.74Å; Y328-L338 HydrophobicContact CE2-CD2 3.83Å; Y328-L338 HydrophobicContact CE2-CG 4.45Å |
| 339 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139.2 | 177.7 | -52.4 | -168.4 | 0 | 0 | 0 | 111.1 | L203 A206 T207 I295 V296 C297 V325 I337 E341 G342 V345 | L203-L339 HydrophobicContact CD2-CD1 3.86Å; A206-L339 HydrophobicContact CB-CD1 3.79Å; A206-L339 HydrophobicContact CB-CD2 3.77Å; A206-L339 HydrophobicContact CB-CG 4.37Å; T207-L339 HydrophobicContact CG2-CD1 4.33Å; T207-L339 HydrophobicContact CG2-CD2 3.83Å; I295-L339 HydrophobicContact CG2-CD1 3.85Å; I295-L339 HydrophobicContact CG2-CD2 4.47Å; I295-L339 HydrophobicContact CG2-CG 4.02Å; V296-L339 PolarHBondContact O-N 2.85Å; C297-L339 HydrophobicContact CB-CB 3.83Å; C297-L339 HydrophobicContact CB-CD1 3.94Å; C297-L339 HydrophobicContact CB-CG 4.07Å; V325-L339 HydrophobicContact CG1-CD2 4.12Å; V325-L339 HydrophobicContact CG2-CD2 4.26Å; I337-L339 HydrophobicContact CG2-CD2 3.9Å; L339-E341 PolarHBondContact O-N 3.4Å; L339-E341 VanDerWaalsContact O-N 3.09Å; L339-G342 PolarHBondContact O-N 3.27Å; L339-V345 HydrophobicContact CB-CG2 4Å; L339-V345 HydrophobicContact CD1-CG2 3.78Å |
| 340 | A | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | 50 | 32.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q324 G342 R343 | Q324-A340 HydrophobicContact CB-CB 4.37Å; Q324-A340 HydrophobicContact CG-CB 4.49Å; Q324-A340 PolarHBondContact O-N 2.83Å; A340-G342 PolarHBondContact O-N 3.4Å; A340-G342 VanDerWaalsContact O-N 3.12Å; A340-R343 VanDerWaalsContact O-CB 3.29Å; A340-R343 WeakPolarHBondContact O-CB 3.5Å; A340-R343 PolarHBondContact O-N 3.02Å |
| 341 | E | 97.1 | Very high | 97.1 | Very high | 71 Ų | 71 | 33.5 Ų | 33.5 | 33% | 0.332 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | 53 | 32.9 | -177.5 | -58.5 | 170.4 | -125.9 | 0 | 0 | 112.8 | F81 L339 R343 | F81-E341 WeakPolarHBondContact CE2-OE1 3.41Å; F81-E341 WeakPolarHBondContact CZ-OE1 3.33Å; L339-E341 PolarHBondContact O-N 3.4Å; L339-E341 VanDerWaalsContact O-N 3.09Å; E341-R343 PolarHBondContact O-N 3.34Å; E341-R343 IonicContact OE2-NH1 2.79Å; E341-R343 PolarHBondContact OE2-NH1 2.81Å |
| 342 | G | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | 77.7 | 0.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N298 D303 L339 A340 | N298-G342 WeakPolarHBondContact CB-O 3.46Å; N298-G342 PolarHBondContact ND2-O 2.95Å; D303-G342 WeakPolarHBondContact CA-O 2.9Å; L339-G342 PolarHBondContact O-N 3.27Å; A340-G342 PolarHBondContact O-N 3.4Å; A340-G342 VanDerWaalsContact O-N 3.12Å |
| 343 | R | 95.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 24 Ų | 24 | 11% | 0.109 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -78.4 | 179.8 | 169.9 | -64.3 | 178.9 | -177.9 | 90.8 | -11.5 | 111.4 | I80 E106 F302 D303 A340 E341 V345 | I80-R343 VanDerWaalsContact CD1-CZ 3.45Å; I80-R343 VanDerWaalsContact CD1-NH2 3.35Å; E106-R343 IonicContact OE1-CZ 3.16Å; E106-R343 IonicContact OE1-NH2 2.65Å; E106-R343 PolarHBondContact OE1-NH2 2.95Å; F302-R343 WeakPolarHBondContact O-CA 3.39Å; D303-R343 HydrophobicContact CB-CG 3.81Å; A340-R343 VanDerWaalsContact O-CB 3.29Å; A340-R343 WeakPolarHBondContact O-CB 3.5Å; A340-R343 PolarHBondContact O-N 3.02Å; E341-R343 PolarHBondContact O-N 3.34Å; E341-R343 IonicContact OE2-NH1 2.79Å; E341-R343 PolarHBondContact OE2-NH1 2.81Å; R343-V345 PolarHBondContact O-N 2.84Å; R343-V345 VanDerWaalsContact O-N 3.1Å |
| 344 | L | 95.7 | Very high | 97 | Very high | 25 Ų | 25 | 24.1 Ų | 24.1 | 13% | 0.131 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -58 | 108.7 | -175.7 | -58.5 | 178 | 0 | 0 | 0 | 113 | N298 G300 N346 L347 G348 | N298-L344 CarbonylContact O-C 3.6Å; N298-L344 WeakPolarHBondContact O-CA 3.25Å; G300-L344 WeakPolarHBondContact O-CD2 3.45Å; L344-N346 PolarHBondContact O-N 3.23Å; L344-L347 HydrophobicContact CB-CB 4.38Å; L344-L347 HydrophobicContact CB-CD1 4.17Å; L344-L347 HydrophobicContact CD1-CD1 3.69Å; L344-L347 PolarHBondContact O-N 2.57Å; L344-G348 PolarHBondContact O-N 3.1Å |
| 345 | V | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.8 | -36.6 | -173.6 | 68.4 | 0 | 0 | 0 | 0 | 113.9 | L199 C297 N298 I299 L339 R343 L347 C349 | L199-V345 HydrophobicContact CD1-CG1 3.86Å; C297-V345 HydrophobicContact CB-CB 3.87Å; C297-V345 HydrophobicContact CB-CG1 4.22Å; C297-V345 HydrophobicContact CB-CG2 3.81Å; N298-V345 WeakPolarHBondContact O-CB 3.47Å; N298-V345 WeakPolarHBondContact O-CG1 3.47Å; N298-V345 PolarHBondContact O-N 3.34Å; I299-V345 HydrophobicContact CB-CG1 4.07Å; I299-V345 HydrophobicContact CD1-CG1 4.32Å; I299-V345 HydrophobicContact CG1-CG1 4.32Å; L339-V345 HydrophobicContact CB-CG2 4Å; L339-V345 HydrophobicContact CD1-CG2 3.78Å; R343-V345 PolarHBondContact O-N 2.84Å; R343-V345 VanDerWaalsContact O-N 3.1Å; V345-L347 PolarHBondContact O-N 3.13Å; V345-C349 HydrophobicContact CG2-CB 4.24Å; V345-C349 VanDerWaalsContact O-CB 3.3Å; V345-C349 WeakPolarHBondContact O-CB 3.4Å; V345-C349 PolarHBondContact O-N 2.81Å |
| 346 | N | 97.3 | Very high | 97 | Very high | 10 Ų | 10 | 20.9 Ų | 20.9 | 5% | 0.053 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65 | -30.5 | 179.5 | 60.3 | -26.5 | 0 | 0 | 0 | 112.2 | S198 I299 L344 A350 H351 G352 H353 | S198-N346 WeakPolarHBondContact OG-CB 3.23Å; I299-N346 HydrophobicContact CD1-CB 3.94Å; I299-N346 HydrophobicContact CG1-CB 4.35Å; L344-N346 PolarHBondContact O-N 3.23Å; N346-A350 CarbonylContact O-C 3.59Å; N346-A350 VanDerWaalsContact O-C 3.26Å; N346-A350 WeakPolarHBondContact O-CA 3.38Å; N346-A350 VanDerWaalsContact O-CB 3.3Å; N346-A350 WeakPolarHBondContact O-CB 3.46Å; N346-A350 PolarHBondContact O-N 2.95Å; N346-H351 PolarHBondContact O-N 3.19Å; N346-G352 WeakPolarHBondContact O-CA 3.46Å; N346-G352 PolarHBondContact O-N 3.48Å; N346-H353 PolarHBondContact ND2-CD2 2.84Å; N346-H353 PolarHBondContact ND2-NE2 3.39Å |
| 347 | L | 93.8 | Very high | 97 | Very high | 17 Ų | 17 | 21.5 Ų | 21.5 | 9% | 0.089 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -97.3 | -41.7 | 179.9 | -71.2 | 156.9 | 0 | 0 | 0 | 112.2 | H54 T56 L344 V345 | H54-L347 VanDerWaalsContact NE2-CD1 3.29Å; H54-L347 WeakPolarHBondContact NE2-CD1 3.3Å; T56-L347 HydrophobicContact CG2-CD2 4.5Å; L344-L347 HydrophobicContact CB-CB 4.38Å; L344-L347 HydrophobicContact CB-CD1 4.17Å; L344-L347 HydrophobicContact CD1-CD1 3.69Å; L344-L347 PolarHBondContact O-N 2.57Å; V345-L347 PolarHBondContact O-N 3.13Å |
| 348 | G | 93.2 | Very high | 97 | Very high | 5 Ų | 5 | 21 Ų | 21 | 5% | 0.052 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.1 | -44.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K102 L344 | K102-G348 PolarHBondContact NZ-O 2.79Å; L344-G348 PolarHBondContact O-N 3.1Å |
| 349 | C | 97.3 | Very high | 97 | Very high | 19 Ų | 19 | 21 Ų | 21 | 13% | 0.128 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -103.3 | -7.8 | -175.7 | -57.8 | 0 | 0 | 0 | 0 | 114.3 | R205 A206 V345 | R205-C349 WeakPolarHBondContact CB-O 3.39Å; A206-C349 HydrophobicContact CB-CB 4.1Å; V345-C349 HydrophobicContact CG2-CB 4.24Å; V345-C349 VanDerWaalsContact O-CB 3.3Å; V345-C349 WeakPolarHBondContact O-CB 3.4Å; V345-C349 PolarHBondContact O-N 2.81Å |
| 350 | A | 96.6 | Very high | 97 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 6% | 0.058 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -139.9 | -144 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D201 N346 | D201-A350 HydrophobicContact CB-CB 4.18Å; N346-A350 CarbonylContact O-C 3.59Å; N346-A350 VanDerWaalsContact O-C 3.26Å; N346-A350 WeakPolarHBondContact O-CA 3.38Å; N346-A350 VanDerWaalsContact O-CB 3.3Å; N346-A350 WeakPolarHBondContact O-CB 3.46Å; N346-A350 PolarHBondContact O-N 2.95Å |
| 351 | H | 95.1 | Very high | 97 | Very high | 94 Ų | 94 | 21.1 Ų | 21.1 | 44% | 0.435 | 11% | 0.112 | S | C | . | . | trans | -118.8 | 18.8 | -173.7 | -61.6 | 152.8 | 0 | 0 | 0 | 113.2 | Q84 R205 N346 | Q84-H351 PolarHBondContact NE2-O 3.49Å; R205-H351 PolarHBondContact NH1-CD2 2.8Å; R205-H351 PolarHBondContact NH1-CE1 3.21Å; R205-H351 PolarHBondContact NH1-ND1 3.37Å; R205-H351 PolarHBondContact NH1-NE2 3.2Å; R205-H351 VanDerWaalsContact NH1-NE2 3.11Å; R205-H351 PolarHBondContact NH2-ND1 3.3Å; N346-H351 PolarHBondContact O-N 3.19Å | ||
| 352 | G | 95.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 17.8 Ų | 17.8 | 7% | 0.072 | 10% | 0.097 | C | C | . | . | trans | 71.3 | -153.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S198 N346 | S198-G352 WeakPolarHBondContact CB-O 3.12Å; N346-G352 WeakPolarHBondContact O-CA 3.46Å; N346-G352 PolarHBondContact O-N 3.48Å | ||
| 353 | H | 97.7 | Very high | 97.2 | Very high | 20 Ų | 20 | 17.8 Ų | 17.8 | 9% | 0.093 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -77.7 | 151.5 | -178.7 | -63.7 | 174.2 | 0 | 0 | 0 | 111.9 | D190 G194 C195 S198 N346 V357 M358 | D190-H353 PolarHBondContact O-CE1 3.04Å; D190-H353 PolarHBondContact O-ND1 3.14Å; D190-H353 IonicContact OD1-CE1 2.84Å; D190-H353 PolarHBondContact OD1-CE1 2.97Å; D190-H353 VanDerWaalsContact OD1-CE1 3.25Å; D190-H353 IonicContact OD1-CG 3.84Å; D190-H353 IonicContact OD1-ND1 3.92Å; D190-H353 PolarHBondContact OD1-ND1 3.41Å; G194-H353 VanDerWaalsContact C-NE2 3.28Å; G194-H353 VanDerWaalsContact CA-CG 3.46Å; G194-H353 PolarHBondContact O-CD2 3.37Å; G194-H353 VanDerWaalsContact O-CD2 3.31Å; C195-H353 PolarHBondContact N-NE2 3.04Å; C195-H353 PolarHBondContact SG-NE2 3.09Å; S198-H353 PolarHBondContact OG-CD2 3.15Å; S198-H353 PolarHBondContact OG-NE2 3.15Å; N346-H353 PolarHBondContact ND2-CD2 2.84Å; N346-H353 PolarHBondContact ND2-NE2 3.39Å; H353-V357 HydrophobicContact CB-CB 4.49Å; H353-V357 HydrophobicContact CB-CG1 4.41Å; H353-M358 HydrophobicContact CB-CG 3.98Å; H353-M358 HydrophobicContact CB-SD 3.61Å |
| 354 | P | 97.7 | Very high | 97.3 | Very high | 52 Ų | 52 | 16.4 Ų | 16.4 | 34% | 0.338 | 9% | 0.091 | S | C | . | . | trans | -58.8 | 150 | 173.9 | -22.8 | 33.4 | 0 | 0 | 0 | 112.5 | E197 F356 V357 M358 | E197-P354 HydrophobicContact CB-CG 3.87Å; E197-P354 HydrophobicContact CG-CG 4.07Å; P354-F356 VanDerWaalsContact C-N 3.26Å; P354-F356 PolarHBondContact O-N 3.37Å; P354-F356 VanDerWaalsContact O-N 3.16Å; P354-V357 PolarHBondContact O-N 3.36Å; P354-M358 PolarHBondContact O-N 2.71Å | ||
| 355 | S | 98.5 | Very high | 97.5 | Very high | 19 Ų | 19 | 15.2 Ų | 15.2 | 13% | 0.133 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -53.9 | -39 | -176.2 | -53.6 | 0 | 0 | 0 | 0 | 113.7 | E27 M28 Q58 V357 M358 S359 | E27-S355 CarbonylContact O-C 3.39Å; M28-S355 WeakPolarHBondContact CG-O 3.41Å; Q58-S355 PolarHBondContact NE2-OG 3.03Å; S355-V357 VanDerWaalsContact C-N 3.33Å; S355-V357 PolarHBondContact O-N 2.92Å; S355-M358 PolarHBondContact O-N 3Å; S355-S359 WeakPolarHBondContact O-CB 3.38Å; S355-S359 PolarHBondContact O-N 3.3Å |
| 356 | F | 98.6 | Very high | 97.5 | Very high | 32 Ų | 32 | 15.2 Ų | 15.2 | 14% | 0.14 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.3 | -39.5 | 178.7 | -167.2 | -87 | 0 | 0 | 0 | 113.4 | E27 P29 P354 S359 N360 H398 Q401 L402 | E27-F356 WeakPolarHBondContact O-CA 3.06Å; E27-F356 PolarHBondContact O-N 3.13Å; P29-F356 HydrophobicContact CG-CD2 4.39Å; P29-F356 HydrophobicContact CG-CE2 3.89Å; P354-F356 VanDerWaalsContact C-N 3.26Å; P354-F356 PolarHBondContact O-N 3.37Å; P354-F356 VanDerWaalsContact O-N 3.16Å; F356-S359 WeakPolarHBondContact O-CB 3.47Å; F356-N360 PolarHBondContact O-ND2 2.83Å; F356-H398 HydrophobicContact CE1-CB 4.48Å; F356-H398 HydrophobicContact CZ-CB 3.86Å; F356-Q401 HydrophobicContact CE2-CG 4.45Å; F356-L402 HydrophobicContact CE1-CD1 4Å; F356-L402 HydrophobicContact CE1-CD2 4.32Å; F356-L402 HydrophobicContact CE1-CG 4.42Å; F356-L402 HydrophobicContact CE2-CD2 3.91Å; F356-L402 HydrophobicContact CE2-CG 4.12Å; F356-L402 HydrophobicContact CZ-CD1 3.57Å; F356-L402 HydrophobicContact CZ-CD2 3.67Å; F356-L402 HydrophobicContact CZ-CG 3.6Å |
| 357 | V | 97.8 | Very high | 97.6 | Very high | 14 Ų | 14 | 15 Ų | 15 | 9% | 0.085 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.3 | -48.9 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 109.7 | F189 D190 H353 P354 S355 S359 N360 | F189-V357 HydrophobicContact CB-CG1 4.42Å; F189-V357 VanDerWaalsContact O-CG1 3.32Å; F189-V357 WeakPolarHBondContact O-CG1 3.41Å; D190-V357 VanDerWaalsContact CA-CG1 3.44Å; D190-V357 HydrophobicContact CB-CG1 4.35Å; H353-V357 HydrophobicContact CB-CB 4.49Å; H353-V357 HydrophobicContact CB-CG1 4.41Å; P354-V357 PolarHBondContact O-N 3.36Å; S355-V357 VanDerWaalsContact C-N 3.33Å; S355-V357 PolarHBondContact O-N 2.92Å; V357-S359 PolarHBondContact O-N 3.06Å; V357-N360 WeakPolarHBondContact O-CB 3.47Å; V357-N360 PolarHBondContact O-N 3.07Å |
| 358 | M | 98.3 | Very high | 97.8 | Very high | 21 Ų | 21 | 14.2 Ų | 14.2 | 10% | 0.103 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.5 | -28.6 | 178.9 | -63.2 | -46.3 | -60.4 | 0 | 0 | 113.1 | M28 Q58 H353 P354 S355 N360 S361 F362 | M28-M358 HydrophobicContact CE-CB 4.22Å; Q58-M358 HydrophobicContact CB-CB 3.9Å; Q58-M358 HydrophobicContact CB-CG 4.12Å; Q58-M358 HydrophobicContact CG-CB 3.96Å; Q58-M358 HydrophobicContact CG-CG 3.98Å; H353-M358 HydrophobicContact CB-CG 3.98Å; H353-M358 HydrophobicContact CB-SD 3.61Å; P354-M358 PolarHBondContact O-N 2.71Å; S355-M358 PolarHBondContact O-N 3Å; M358-N360 PolarHBondContact O-N 2.74Å; M358-S361 PolarHBondContact O-N 3.06Å; M358-F362 HydrophobicContact CB-CD2 4.2Å; M358-F362 HydrophobicContact CB-CE2 4Å; M358-F362 HydrophobicContact CB-CZ 4.4Å; M358-F362 HydrophobicContact CE-CD1 4.14Å; M358-F362 HydrophobicContact CE-CE1 3.34Å; M358-F362 HydrophobicContact CE-CE2 4.02Å; M358-F362 HydrophobicContact CE-CZ 3.28Å; M358-F362 VanDerWaalsContact O-CB 3.3Å; M358-F362 WeakPolarHBondContact O-CB 3.43Å; M358-F362 VanDerWaalsContact O-CG 3.29Å; M358-F362 WeakPolarHBondContact O-CG 3.29Å; M358-F362 PolarHBondContact O-N 2.89Å |
| 359 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -56.9 | -35.8 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | M28 G30 S355 F356 V357 T363 H398 | M28-S359 VanDerWaalsContact CA-OG 3.28Å; M28-S359 WeakPolarHBondContact CA-OG 3.48Å; G30-S359 PolarHBondContact N-OG 3.32Å; S355-S359 WeakPolarHBondContact O-CB 3.38Å; S355-S359 PolarHBondContact O-N 3.3Å; F356-S359 WeakPolarHBondContact O-CB 3.47Å; V357-S359 PolarHBondContact O-N 3.06Å; S359-T363 VanDerWaalsContact O-CB 3.22Å; S359-T363 WeakPolarHBondContact O-CB 3.27Å; S359-T363 PolarHBondContact O-N 2.69Å; S359-T363 PolarHBondContact O-OG1 3.49Å; S359-H398 VanDerWaalsContact C-NE2 3.31Å; S359-H398 WeakPolarHBondContact CB-NE2 3.44Å; S359-H398 PolarHBondContact OG-NE2 2.85Å |
| 360 | N | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.8 | -53 | 177.5 | -69.1 | -95.8 | 0 | 0 | 0 | 110.3 | T185 F189 F356 V357 M358 F362 T363 N364 V394 H398 | T185-N360 WeakPolarHBondContact O-CB 3.16Å; F189-N360 HydrophobicContact CB-CB 4.36Å; F356-N360 PolarHBondContact O-ND2 2.83Å; V357-N360 WeakPolarHBondContact O-CB 3.47Å; V357-N360 PolarHBondContact O-N 3.07Å; M358-N360 PolarHBondContact O-N 2.74Å; N360-F362 PolarHBondContact O-N 2.78Å; N360-T363 PolarHBondContact O-N 3.34Å; N360-N364 PolarHBondContact O-N 2.64Å; N360-N364 VanDerWaalsContact O-N 3.12Å; N360-N364 PolarHBondContact O-ND2 2.77Å; N360-V394 HydrophobicContact CB-CG1 4.27Å; N360-H398 PolarHBondContact N-NE2 2.97Å |
| 361 | S | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | -179.5 | -42.3 | 0 | 0 | 0 | 0 | 112.4 | E156 D190 M358 T363 N364 Q365 | E156-S361 WeakPolarHBondContact OE1-CB 3.5Å; D190-S361 WeakPolarHBondContact CB-OG 3.41Å; M358-S361 PolarHBondContact O-N 3.06Å; S361-T363 VanDerWaalsContact C-N 3.34Å; S361-T363 PolarHBondContact O-N 2.78Å; S361-N364 WeakPolarHBondContact O-CA 3.43Å; S361-N364 VanDerWaalsContact O-CB 3.28Å; S361-N364 WeakPolarHBondContact O-CB 3.24Å; S361-N364 PolarHBondContact O-N 3.42Å; S361-Q365 PolarHBondContact O-N 2.7Å |
| 362 | F | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 0% | 0.004 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -73.6 | -27.2 | -177.9 | -64.8 | -11.4 | 0 | 0 | 0 | 112.7 | M28 L31 L53 Q58 L62 M358 N360 N364 Q365 V366 | M28-F362 HydrophobicContact CE-CD2 3.81Å; M28-F362 HydrophobicContact CE-CE2 4.45Å; L31-F362 HydrophobicContact CD1-CB 3.99Å; L31-F362 HydrophobicContact CD1-CD2 4.46Å; L31-F362 HydrophobicContact CD2-CB 3.94Å; L31-F362 HydrophobicContact CG-CB 4.28Å; L53-F362 HydrophobicContact CD1-CE1 3.85Å; L53-F362 HydrophobicContact CD1-CZ 4.46Å; L53-F362 HydrophobicContact CD2-CE1 3.85Å; L53-F362 HydrophobicContact CD2-CZ 3.64Å; Q58-F362 HydrophobicContact CB-CD2 4.49Å; Q58-F362 HydrophobicContact CB-CE2 3.79Å; L62-F362 HydrophobicContact CB-CB 4.15Å; L62-F362 HydrophobicContact CB-CD2 3.78Å; L62-F362 HydrophobicContact CB-CE2 4.41Å; L62-F362 HydrophobicContact CB-CG 4.07Å; L62-F362 HydrophobicContact CD1-CB 4.16Å; L62-F362 HydrophobicContact CD2-CB 4.2Å; L62-F362 HydrophobicContact CD2-CD1 3.88Å; L62-F362 HydrophobicContact CD2-CD2 4.15Å; L62-F362 HydrophobicContact CD2-CE1 4.26Å; L62-F362 HydrophobicContact CD2-CG 3.82Å; L62-F362 HydrophobicContact CG-CB 4.39Å; L62-F362 HydrophobicContact CG-CG 4.39Å; M358-F362 HydrophobicContact CB-CD2 4.2Å; M358-F362 HydrophobicContact CB-CE2 4Å; M358-F362 HydrophobicContact CB-CZ 4.4Å; M358-F362 HydrophobicContact CE-CD1 4.14Å; M358-F362 HydrophobicContact CE-CE1 3.34Å; M358-F362 HydrophobicContact CE-CE2 4.02Å; M358-F362 HydrophobicContact CE-CZ 3.28Å; M358-F362 VanDerWaalsContact O-CB 3.3Å; M358-F362 WeakPolarHBondContact O-CB 3.43Å; M358-F362 VanDerWaalsContact O-CG 3.29Å; M358-F362 WeakPolarHBondContact O-CG 3.29Å; M358-F362 PolarHBondContact O-N 2.89Å; N360-F362 PolarHBondContact O-N 2.78Å; F362-N364 VanDerWaalsContact C-N 3.32Å; F362-Q365 WeakPolarHBondContact O-CB 3.38Å; F362-Q365 PolarHBondContact O-N 3.44Å; F362-V366 WeakPolarHBondContact O-CG2 3.46Å; F362-V366 PolarHBondContact O-N 3.25Å |
| 363 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -65.8 | -38.3 | 168.4 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | G30 L31 M34 S359 N360 S361 V366 L367 V394 | G30-T363 VanDerWaalsContact CA-OG1 3.28Å; G30-T363 WeakPolarHBondContact CA-OG1 3.29Å; L31-T363 PolarHBondContact N-OG1 3.5Å; M34-T363 HydrophobicContact CE-CG2 3.81Å; M34-T363 HydrophobicContact CG-CG2 3.87Å; M34-T363 HydrophobicContact SD-CG2 4.03Å; S359-T363 VanDerWaalsContact O-CB 3.22Å; S359-T363 WeakPolarHBondContact O-CB 3.27Å; S359-T363 PolarHBondContact O-N 2.69Å; S359-T363 PolarHBondContact O-OG1 3.49Å; N360-T363 PolarHBondContact O-N 3.34Å; S361-T363 VanDerWaalsContact C-N 3.34Å; S361-T363 PolarHBondContact O-N 2.78Å; T363-V366 PolarHBondContact O-N 3.04Å; T363-L367 HydrophobicContact CG2-CD1 4.23Å; T363-L367 WeakPolarHBondContact O-CG 3.36Å; T363-L367 PolarHBondContact O-N 3.36Å; T363-V394 HydrophobicContact CG2-CB 4.44Å; T363-V394 HydrophobicContact CG2-CG1 4.28Å; T363-V394 HydrophobicContact CG2-CG2 3.85Å |
| 364 | N | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 171.5 | -73.9 | -85.6 | 0 | 0 | 0 | 111.5 | V180 S183 T185 N360 S361 F362 V366 L367 A368 L386 | V180-N364 HydrophobicContact CG1-CB 3.47Å; V180-N364 VanDerWaalsContact CG1-CB 3.47Å; S183-N364 VanDerWaalsContact CB-OD1 3.32Å; S183-N364 WeakPolarHBondContact CB-OD1 3.21Å; S183-N364 PolarHBondContact OG-OD1 3.29Å; T185-N364 PolarHBondContact OG1-ND2 3.5Å; T185-N364 PolarHBondContact OG1-OD1 3.32Å; N360-N364 PolarHBondContact O-N 2.64Å; N360-N364 VanDerWaalsContact O-N 3.12Å; N360-N364 PolarHBondContact O-ND2 2.77Å; S361-N364 WeakPolarHBondContact O-CA 3.43Å; S361-N364 VanDerWaalsContact O-CB 3.28Å; S361-N364 WeakPolarHBondContact O-CB 3.24Å; S361-N364 PolarHBondContact O-N 3.42Å; F362-N364 VanDerWaalsContact C-N 3.32Å; N364-V366 PolarHBondContact O-N 3.03Å; N364-L367 PolarHBondContact O-N 2.98Å; N364-A368 VanDerWaalsContact O-CB 3.27Å; N364-A368 WeakPolarHBondContact O-CB 3.34Å; N364-A368 PolarHBondContact O-N 2.98Å; N364-L386 HydrophobicContact CB-CD2 4.22Å; N364-L386 WeakPolarHBondContact OD1-CD2 3.45Å |
| 365 | Q | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.3 | -48.3 | 175.5 | -73.7 | -78 | 24.3 | 0 | 0 | 112 | L62 L129 T154 E156 V180 S361 F362 L367 A368 Q369 | L62-Q365 HydrophobicContact CD1-CB 4.49Å; L129-Q365 HydrophobicContact CD1-CB 4.12Å; T154-Q365 PolarHBondContact OG1-OE1 3.27Å; E156-Q365 VanDerWaalsContact CB-NE2 3.29Å; E156-Q365 WeakPolarHBondContact OE2-CG 3.45Å; E156-Q365 PolarHBondContact OE2-NE2 2.84Å; V180-Q365 HydrophobicContact CG1-CG 4.34Å; S361-Q365 PolarHBondContact O-N 2.7Å; F362-Q365 WeakPolarHBondContact O-CB 3.38Å; F362-Q365 PolarHBondContact O-N 3.44Å; Q365-L367 PolarHBondContact O-N 3.44Å; Q365-A368 PolarHBondContact O-N 2.95Å; Q365-Q369 WeakPolarHBondContact O-CB 3.47Å; Q365-Q369 VanDerWaalsContact O-CG 3.26Å; Q365-Q369 WeakPolarHBondContact O-CG 3.22Å; Q365-Q369 PolarHBondContact O-N 3.44Å |
| 366 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.4 | -46.5 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L31 M34 L62 T65 L66 L69 F362 T363 N364 A368 Q369 I370 | L31-V366 HydrophobicContact CD2-CG2 3.84Å; M34-V366 HydrophobicContact CB-CG1 4.1Å; M34-V366 HydrophobicContact CG-CB 4.43Å; M34-V366 HydrophobicContact CG-CG1 3.95Å; L62-V366 HydrophobicContact CD1-CG2 3.55Å; T65-V366 HydrophobicContact CG2-CG1 4.43Å; T65-V366 HydrophobicContact CG2-CG2 3.96Å; L66-V366 HydrophobicContact CD2-CG2 4.03Å; L69-V366 HydrophobicContact CD2-CG1 3.7Å; F362-V366 WeakPolarHBondContact O-CG2 3.46Å; F362-V366 PolarHBondContact O-N 3.25Å; T363-V366 PolarHBondContact O-N 3.04Å; N364-V366 PolarHBondContact O-N 3.03Å; V366-A368 PolarHBondContact O-N 3.36Å; V366-Q369 PolarHBondContact O-N 3.4Å; V366-I370 HydrophobicContact CG1-CD1 3.93Å; V366-I370 VanDerWaalsContact O-CG1 3.29Å; V366-I370 WeakPolarHBondContact O-CG1 3.41Å; V366-I370 PolarHBondContact O-N 2.82Å |
| 367 | L | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 178.9 | -70.5 | 173.2 | 0 | 0 | 0 | 112.2 | M34 Y38 T363 N364 Q365 I370 E371 L386 L390 V394 | M34-L367 HydrophobicContact SD-CD2 3.69Å; M34-L367 HydrophobicContact SD-CG 4.04Å; Y38-L367 HydrophobicContact CE2-CD2 4.28Å; T363-L367 HydrophobicContact CG2-CD1 4.23Å; T363-L367 WeakPolarHBondContact O-CG 3.36Å; T363-L367 PolarHBondContact O-N 3.36Å; N364-L367 PolarHBondContact O-N 2.98Å; Q365-L367 PolarHBondContact O-N 3.44Å; L367-I370 PolarHBondContact O-N 2.87Å; L367-E371 PolarHBondContact O-N 2.86Å; L367-L386 HydrophobicContact CB-CD1 4.39Å; L367-L386 HydrophobicContact CB-CD2 4.46Å; L367-L390 HydrophobicContact CB-CD1 4.46Å; L367-L390 HydrophobicContact CD1-CB 4.2Å; L367-L390 HydrophobicContact CD2-CD2 4.49Å; L367-V394 HydrophobicContact CD1-CG2 3.6Å |
| 368 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T154 I178 V180 N364 Q365 V366 E371 L372 L386 | T154-A368 HydrophobicContact CG2-CB 3.46Å; T154-A368 VanDerWaalsContact CG2-CB 3.46Å; I178-A368 HydrophobicContact CB-CB 4.11Å; I178-A368 HydrophobicContact CD1-CB 4.05Å; I178-A368 HydrophobicContact CG2-CB 3.76Å; V180-A368 HydrophobicContact CG2-CB 3.79Å; N364-A368 VanDerWaalsContact O-CB 3.27Å; N364-A368 WeakPolarHBondContact O-CB 3.34Å; N364-A368 PolarHBondContact O-N 2.98Å; Q365-A368 PolarHBondContact O-N 2.95Å; V366-A368 PolarHBondContact O-N 3.36Å; A368-E371 PolarHBondContact O-N 3.01Å; A368-L372 PolarHBondContact O-N 3.12Å; A368-L386 HydrophobicContact CB-CD1 4.09Å |
| 369 | Q | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 174.1 | -72.6 | -71 | -40.5 | 0 | 0 | 111.1 | L44 L66 V128 L129 T154 Q365 V366 W373 | L44-Q369 HydrophobicContact CD2-CB 4.4Å; L66-Q369 HydrophobicContact CD2-CB 4.45Å; L66-Q369 HydrophobicContact CD2-CG 4.4Å; V128-Q369 PolarHBondContact O-NE2 3.19Å; L129-Q369 HydrophobicContact CD1-CG 4.21Å; T154-Q369 HydrophobicContact CG2-CG 4.16Å; T154-Q369 VanDerWaalsContact CG2-NE2 3.33Å; T154-Q369 PolarHBondContact OG1-NE2 3.34Å; Q365-Q369 WeakPolarHBondContact O-CB 3.47Å; Q365-Q369 VanDerWaalsContact O-CG 3.26Å; Q365-Q369 WeakPolarHBondContact O-CG 3.22Å; Q365-Q369 PolarHBondContact O-N 3.44Å; V366-Q369 PolarHBondContact O-N 3.4Å; Q369-W373 WeakPolarHBondContact O-CB 3.25Å; Q369-W373 PolarHBondContact O-N 3.33Å |
| 370 | I | 98.7 | Very high | 98.2 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -47.9 | 175.8 | -67.4 | 166.3 | 0 | 0 | 0 | 110.8 | Y38 P43 L44 L69 V366 L367 W373 T374 | Y38-I370 HydrophobicContact CD2-CD1 3.95Å; Y38-I370 HydrophobicContact CE2-CD1 4.14Å; Y38-I370 HydrophobicContact CG-CD1 4.4Å; P43-I370 HydrophobicContact CB-CG2 4.37Å; P43-I370 HydrophobicContact CG-CD1 4.2Å; P43-I370 HydrophobicContact CG-CG1 4.14Å; L44-I370 HydrophobicContact CD2-CG1 3.95Å; L44-I370 HydrophobicContact CG-CG1 4.19Å; L69-I370 HydrophobicContact CD2-CD1 3.75Å; L69-I370 HydrophobicContact CD2-CG1 4.33Å; V366-I370 HydrophobicContact CG1-CD1 3.93Å; V366-I370 VanDerWaalsContact O-CG1 3.29Å; V366-I370 WeakPolarHBondContact O-CG1 3.41Å; V366-I370 PolarHBondContact O-N 2.82Å; L367-I370 PolarHBondContact O-N 2.87Å; I370-W373 PolarHBondContact O-N 2.86Å; I370-T374 HydrophobicContact CG2-CG2 4.28Å; I370-T374 WeakPolarHBondContact O-CB 3.39Å; I370-T374 WeakPolarHBondContact O-CG2 3.44Å; I370-T374 PolarHBondContact O-N 2.69Å; I370-T374 PolarHBondContact O-OG1 2.67Å |
| 371 | E | 98.3 | Very high | 98.1 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.6 | -54.5 | -179.3 | -81.8 | -58.3 | 124.2 | 0 | 0 | 111.9 | I178 L367 A368 W373 K375 Y379 L390 | I178-E371 HydrophobicContact CD1-CB 4.11Å; L367-E371 PolarHBondContact O-N 2.86Å; A368-E371 PolarHBondContact O-N 3.01Å; E371-W373 VanDerWaalsContact C-N 3.33Å; E371-W373 PolarHBondContact O-N 3.05Å; E371-K375 WeakPolarHBondContact O-CA 3.43Å; E371-K375 WeakPolarHBondContact O-CB 3.22Å; E371-K375 PolarHBondContact O-N 3.38Å; E371-K375 WeakPolarHBondContact OE1-CE 3.34Å; E371-K375 IonicContact OE1-NZ 3.77Å; E371-K375 PolarHBondContact OE1-NZ 3.1Å; E371-K375 WeakPolarHBondContact OE2-CD 3.48Å; E371-K375 IonicContact OE2-NZ 2.6Å; E371-K375 PolarHBondContact OE2-NZ 3.09Å; E371-Y379 HydrophobicContact CB-CE2 3.9Å; E371-Y379 PolarHBondContact OE2-OH 2.85Å; E371-Y379 VanDerWaalsContact OE2-OH 3.06Å; E371-L390 HydrophobicContact CG-CD1 3.52Å |
| 372 | L | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -39.3 | -179 | -74.8 | 169.4 | 0 | 0 | 0 | 112.2 | M127 V153 T154 P176 I178 A368 Y379 | M127-L372 HydrophobicContact CE-CB 3.77Å; M127-L372 HydrophobicContact CE-CD1 4.31Å; V153-L372 WeakPolarHBondContact O-CD1 3.19Å; T154-L372 HydrophobicContact CG2-CD1 3.63Å; P176-L372 HydrophobicContact CB-CD2 3.93Å; I178-L372 HydrophobicContact CB-CD1 4.26Å; I178-L372 HydrophobicContact CD1-CD1 4.05Å; I178-L372 HydrophobicContact CD1-CD2 4.19Å; I178-L372 HydrophobicContact CD1-CG 3.68Å; I178-L372 HydrophobicContact CG1-CD1 3.92Å; I178-L372 HydrophobicContact CG1-CD2 4.1Å; I178-L372 HydrophobicContact CG1-CG 3.92Å; A368-L372 PolarHBondContact O-N 3.12Å; L372-Y379 HydrophobicContact CD2-CD1 4.41Å; L372-Y379 HydrophobicContact CD2-CD2 4.13Å; L372-Y379 HydrophobicContact CD2-CG 3.9Å |
| 373 | W | 98.7 | Very high | 98.1 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 12% | 0.121 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.4 | -42.3 | -177.4 | -178.2 | -110.5 | 0 | 0 | 0 | 113.1 | L44 T45 G46 A47 N126 M127 K151 Q369 I370 E371 | L44-W373 HydrophobicContact CD2-CB 4.07Å; L44-W373 HydrophobicContact CD2-CG 4.27Å; T45-W373 PolarHBondContact O-NE1 3.12Å; G46-W373 WeakPolarHBondContact O-CH2 3.49Å; A47-W373 HydrophobicContact CB-CD2 3.85Å; A47-W373 HydrophobicContact CB-CE3 4.11Å; A47-W373 HydrophobicContact CB-CG 4.26Å; A47-W373 HydrophobicContact CB-CZ2 4.33Å; A47-W373 HydrophobicContact CB-CZ3 4.47Å; A47-W373 VanDerWaalsContact N-CZ2 3.35Å; N126-W373 HydrophobicContact CB-CZ3 4.29Å; N126-W373 VanDerWaalsContact ND2-CH2 3.34Å; N126-W373 WeakPolarHBondContact ND2-CH2 3.44Å; N126-W373 WeakPolarHBondContact ND2-CZ3 3.4Å; M127-W373 HydrophobicContact CG-CE3 3.74Å; M127-W373 HydrophobicContact CG-CZ3 4.31Å; M127-W373 HydrophobicContact SD-CB 4.49Å; M127-W373 HydrophobicContact SD-CE3 3.93Å; K151-W373 HydrophobicContact CB-CE3 4.4Å; K151-W373 HydrophobicContact CD-CD2 4.37Å; K151-W373 HydrophobicContact CD-CE3 3.53Å; K151-W373 HydrophobicContact CD-CH2 4.4Å; K151-W373 HydrophobicContact CD-CZ3 3.55Å; K151-W373 VanDerWaalsContact CE-CZ3 3.49Å; K151-W373 HydrophobicContact CG-CE3 4.22Å; K151-W373 HydrophobicContact CG-CZ3 4.02Å; K151-W373 PolarHBondContact NZ-O 2.82Å; Q369-W373 WeakPolarHBondContact O-CB 3.25Å; Q369-W373 PolarHBondContact O-N 3.33Å; I370-W373 PolarHBondContact O-N 2.86Å; E371-W373 VanDerWaalsContact C-N 3.33Å; E371-W373 PolarHBondContact O-N 3.05Å |
| 374 | T | 98.4 | Very high | 98.1 | Very high | 64 Ų | 64 | 37.7 Ų | 37.7 | 39% | 0.393 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -94.6 | -19.4 | -171.2 | 65.2 | 0 | 0 | 0 | 0 | 113.9 | P43 I370 P376 | P43-T374 HydrophobicContact CB-CG2 4.19Å; I370-T374 HydrophobicContact CG2-CG2 4.28Å; I370-T374 WeakPolarHBondContact O-CB 3.39Å; I370-T374 WeakPolarHBondContact O-CG2 3.44Å; I370-T374 PolarHBondContact O-N 2.69Å; I370-T374 PolarHBondContact O-OG1 2.67Å; T374-P376 VanDerWaalsContact C-CD 3.43Å |
| 375 | K | 97.8 | Very high | 98.1 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | trans | -130.5 | 51.2 | -178.8 | -53 | -177.6 | -160.6 | 157.5 | 0 | 113.1 | E371 D377 Q378 Y379 | E371-K375 WeakPolarHBondContact O-CA 3.43Å; E371-K375 WeakPolarHBondContact O-CB 3.22Å; E371-K375 PolarHBondContact O-N 3.38Å; E371-K375 WeakPolarHBondContact OE1-CE 3.34Å; E371-K375 IonicContact OE1-NZ 3.77Å; E371-K375 PolarHBondContact OE1-NZ 3.1Å; E371-K375 WeakPolarHBondContact OE2-CD 3.48Å; E371-K375 IonicContact OE2-NZ 2.6Å; E371-K375 PolarHBondContact OE2-NZ 3.09Å; K375-D377 PolarHBondContact O-N 2.85Å; K375-D377 VanDerWaalsContact O-N 3.1Å; K375-Q378 HydrophobicContact CB-CB 4.39Å; K375-Q378 HydrophobicContact CB-CG 4.16Å; K375-Q378 PolarHBondContact O-N 3.44Å; K375-Y379 HydrophobicContact CB-CE2 4.47Å; K375-Y379 WeakPolarHBondContact O-CD2 3.27Å | ||
| 376 | P | 94.9 | Very high | 98 | Very high | 51 Ų | 51 | 43.8 Ų | 43.8 | 33% | 0.331 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -56.4 | -33.8 | -175.6 | 24.9 | -35.3 | 0 | 0 | 0 | 113.1 | T374 Q378 Y379 | T374-P376 VanDerWaalsContact C-CD 3.43Å; P376-Q378 PolarHBondContact O-N 3.17Å; P376-Q378 VanDerWaalsContact O-N 3.15Å; P376-Y379 PolarHBondContact O-N 3.26Å; P376-Y379 VanDerWaalsContact O-N 3.15Å |
| 377 | D | 96.1 | Very high | 97.9 | Very high | 164 Ų | 164 | 46.2 Ų | 46.2 | 88% | 0.877 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -66.5 | -15.7 | -179.1 | -57.5 | -32.8 | 0 | 0 | 0 | 114 | K375 | K375-D377 PolarHBondContact O-N 2.85Å; K375-D377 VanDerWaalsContact O-N 3.1Å |
| 378 | Q | 97.2 | Very high | 97.8 | Very high | 128 Ų | 128 | 47.1 Ų | 47.1 | 60% | 0.598 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -88.4 | -12.2 | 178.6 | -60.7 | -170.8 | 15.9 | 0 | 0 | 113 | K375 P376 P380 | K375-Q378 HydrophobicContact CB-CB 4.39Å; K375-Q378 HydrophobicContact CB-CG 4.16Å; K375-Q378 PolarHBondContact O-N 3.44Å; P376-Q378 PolarHBondContact O-N 3.17Å; P376-Q378 VanDerWaalsContact O-N 3.15Å; Q378-P380 WeakPolarHBondContact O-CD 3.42Å |
| 379 | Y | 97.9 | Very high | 97.7 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | trans | -122.8 | 88.9 | -173 | -64 | -77.6 | 0 | 0 | 0 | 110.1 | P176 I178 E371 L372 K375 P376 H384 | P176-Y379 WeakPolarHBondContact CB-O 3.17Å; P176-Y379 WeakPolarHBondContact CG-O 3.41Å; I178-Y379 HydrophobicContact CD1-CE1 4.07Å; I178-Y379 HydrophobicContact CG1-CE1 4.37Å; E371-Y379 HydrophobicContact CB-CE2 3.9Å; E371-Y379 PolarHBondContact OE2-OH 2.85Å; E371-Y379 VanDerWaalsContact OE2-OH 3.06Å; L372-Y379 HydrophobicContact CD2-CD1 4.41Å; L372-Y379 HydrophobicContact CD2-CD2 4.13Å; L372-Y379 HydrophobicContact CD2-CG 3.9Å; K375-Y379 HydrophobicContact CB-CE2 4.47Å; K375-Y379 WeakPolarHBondContact O-CD2 3.27Å; P376-Y379 PolarHBondContact O-N 3.26Å; P376-Y379 VanDerWaalsContact O-N 3.15Å; Y379-H384 HydrophobicContact CD1-CB 4.09Å; Y379-H384 AromaticContact CD1-CD2 3.85Å; Y379-H384 AromaticContact CD1-CG 3.82Å; Y379-H384 HydrophobicContact CE1-CB 4.27Å | ||
| 380 | P | 97.8 | Very high | 97.7 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 58% | 0.578 | 28% | 0.282 | S | S | * | . | trans | -63.8 | 164.3 | 170.9 | 28.3 | -34.6 | 0 | 0 | 0 | 110.7 | Q378 G382 H384 | Q378-P380 WeakPolarHBondContact O-CD 3.42Å; P380-G382 PolarHBondContact O-N 3.09Å; P380-G382 VanDerWaalsContact O-N 3.14Å; P380-H384 PolarHBondContact O-NE2 2.87Å | ||
| 381 | V | 98.3 | Very high | 97.7 | Very high | 69 Ų | 69 | 54.5 Ų | 54.5 | 42% | 0.418 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -55 | 124.3 | 172.9 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | F168 L173 | F168-V381 VanDerWaalsContact CE2-O 3.26Å; F168-V381 WeakPolarHBondContact CE2-O 3.49Å; L173-V381 HydrophobicContact CG-CG1 4.41Å; L173-V381 VanDerWaalsContact O-CG1 3.32Å; L173-V381 WeakPolarHBondContact O-CG1 3.47Å |
| 382 | G | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156 | 174.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F168 A177 P380 H384 | F168-G382 VanDerWaalsContact CE2-CA 3.5Å; A177-G382 PolarHBondContact N-O 3.32Å; P380-G382 PolarHBondContact O-N 3.09Å; P380-G382 VanDerWaalsContact O-N 3.14Å; G382-H384 PolarHBondContact O-CD2 3.3Å |
| 383 | V | 98.6 | Very high | 97.6 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.2 | 177.1 | -172.6 | 0 | 0 | 0 | 0 | 108.4 | L164 Y165 F168 L173 A177 N179 | L164-V383 HydrophobicContact CB-CG2 3.79Å; Y165-V383 HydrophobicContact CD1-CB 3.83Å; Y165-V383 HydrophobicContact CD1-CG1 4.17Å; Y165-V383 HydrophobicContact CD1-CG2 3.94Å; Y165-V383 HydrophobicContact CE1-CB 3.55Å; Y165-V383 HydrophobicContact CE1-CG1 3.7Å; Y165-V383 HydrophobicContact CE1-CG2 4.2Å; Y165-V383 HydrophobicContact CE2-CG1 4.15Å; Y165-V383 HydrophobicContact CG-CG2 4.42Å; F168-V383 HydrophobicContact CB-CG2 4.34Å; L173-V383 HydrophobicContact CD2-CG2 4.01Å; A177-V383 CarbonylContact O-C 2.95Å; A177-V383 WeakPolarHBondContact O-CA 3.15Å; N179-V383 HydrophobicContact CB-CG1 3.95Å |
| 384 | H | 98.5 | Very high | 97.6 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 21% | 0.208 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 152.9 | -173.4 | -54.1 | -81.3 | 0 | 0 | 0 | 110.7 | A177 I178 N179 Y379 P380 G382 | A177-H384 PolarHBondContact O-CD2 3.1Å; A177-H384 PolarHBondContact O-N 2.98Å; I178-H384 CarbonylContact C-O 3Å; I178-H384 WeakPolarHBondContact CA-O 3.38Å; I178-H384 HydrophobicContact CG1-CB 4.47Å; N179-H384 PolarHBondContact N-O 3.49Å; Y379-H384 HydrophobicContact CD1-CB 4.09Å; Y379-H384 AromaticContact CD1-CD2 3.85Å; Y379-H384 AromaticContact CD1-CG 3.82Å; Y379-H384 HydrophobicContact CE1-CB 4.27Å; P380-H384 PolarHBondContact O-NE2 2.87Å; G382-H384 PolarHBondContact O-CD2 3.3Å |
| 385 | F | 97.8 | Very high | 97.6 | Very high | 120 Ų | 120 | 54.8 Ų | 54.8 | 53% | 0.526 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 152.1 | 168.2 | -62.3 | -73.1 | 0 | 0 | 0 | 110.5 | Y165 N179 D182 | Y165-F385 WeakPolarHBondContact OH-CZ 3.47Å; N179-F385 WeakPolarHBondContact ND2-CE1 3.09Å; D182-F385 HydrophobicContact CB-CD1 4.02Å; D182-F385 HydrophobicContact CB-CE1 3.68Å |
| 386 | L | 96.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 132.5 | 165.9 | -167.3 | 72.1 | 0 | 0 | 0 | 108.9 | I178 N364 L367 A368 K388 L390 | I178-L386 HydrophobicContact CG2-CB 4.33Å; I178-L386 HydrophobicContact CG2-CD1 4.47Å; N364-L386 HydrophobicContact CB-CD2 4.22Å; N364-L386 WeakPolarHBondContact OD1-CD2 3.45Å; L367-L386 HydrophobicContact CB-CD1 4.39Å; L367-L386 HydrophobicContact CB-CD2 4.46Å; A368-L386 HydrophobicContact CB-CD1 4.09Å; L386-K388 PolarHBondContact O-N 3.34Å; L386-L390 HydrophobicContact CD1-CB 4.37Å; L386-L390 HydrophobicContact CD1-CD1 3.91Å; L386-L390 HydrophobicContact CD2-CB 3.93Å; L386-L390 HydrophobicContact CG-CB 3.94Å; L386-L390 HydrophobicContact CG-CD1 4.33Å |
| 387 | P | 96.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 52 Ų | 52 | 33% | 0.331 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 135.7 | 178.6 | -27.6 | 33.2 | 0 | 0 | 0 | 112.1 | K389 L390 D391 | P387-K389 PolarHBondContact O-N 3.19Å; P387-L390 HydrophobicContact CB-CG 4.42Å; P387-L390 HydrophobicContact CG-CD1 4.29Å; P387-L390 WeakPolarHBondContact O-CA 2.94Å; P387-L390 WeakPolarHBondContact O-CB 3.43Å; P387-L390 PolarHBondContact O-N 3Å; P387-D391 PolarHBondContact O-N 3.23Å |
| 388 | K | 97.2 | Very high | 97.8 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.2 | -34.2 | -175.9 | -166.6 | 175.6 | -48.6 | -53.4 | 0 | 114 | L386 L390 D391 E392 P424 K426 A427 E428 | L386-K388 PolarHBondContact O-N 3.34Å; K388-L390 VanDerWaalsContact C-N 3.29Å; K388-L390 PolarHBondContact O-N 3.21Å; K388-D391 WeakPolarHBondContact O-CB 3.48Å; K388-D391 PolarHBondContact O-N 3.01Å; K388-E392 WeakPolarHBondContact O-CG 3.29Å; K388-E392 PolarHBondContact O-N 3.14Å; K388-P424 HydrophobicContact CB-CB 4.32Å; K388-P424 HydrophobicContact CB-CG 4.48Å; K388-P424 HydrophobicContact CD-CB 4.06Å; K388-P424 HydrophobicContact CG-CB 4.23Å; K388-K426 HydrophobicContact CD-CB 4.42Å; K388-K426 WeakPolarHBondContact CD-O 3.29Å; K388-K426 VanDerWaalsContact CE-O 3.25Å; K388-K426 WeakPolarHBondContact CE-O 3.22Å; K388-A427 WeakPolarHBondContact CE-O 3.44Å; K388-E428 VanDerWaalsContact CE-OE1 3.27Å; K388-E428 WeakPolarHBondContact CE-OE1 3.15Å; K388-E428 WeakPolarHBondContact CE-OE2 3.35Å; K388-E428 IonicContact NZ-OE1 3.52Å; K388-E428 IonicContact NZ-OE2 3.77Å; K388-E428 PolarHBondContact NZ-OE2 2.88Å |
| 389 | K | 97.2 | Very high | 97.9 | Very high | 127 Ų | 127 | 40.4 Ų | 40.4 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.9 | -36.2 | 176.4 | -169.2 | 173.4 | -176.9 | 178.2 | 0 | 112.8 | P387 A393 P424 | P387-K389 PolarHBondContact O-N 3.19Å; K389-A393 WeakPolarHBondContact O-CB 3.35Å; K389-A393 PolarHBondContact O-N 2.96Å; K389-P424 HydrophobicContact CB-CG 4.13Å |
| 390 | L | 97.9 | Very high | 97.7 | Very high | 30 Ų | 30 | 47.8 Ų | 47.8 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -74.4 | -39.5 | 177 | -64.6 | -175 | 0 | 0 | 0 | 110.7 | L367 E371 L386 P387 K388 E392 A393 V394 | L367-L390 HydrophobicContact CB-CD1 4.46Å; L367-L390 HydrophobicContact CD1-CB 4.2Å; L367-L390 HydrophobicContact CD2-CD2 4.49Å; E371-L390 HydrophobicContact CG-CD1 3.52Å; L386-L390 HydrophobicContact CD1-CB 4.37Å; L386-L390 HydrophobicContact CD1-CD1 3.91Å; L386-L390 HydrophobicContact CD2-CB 3.93Å; L386-L390 HydrophobicContact CG-CB 3.94Å; L386-L390 HydrophobicContact CG-CD1 4.33Å; P387-L390 HydrophobicContact CB-CG 4.42Å; P387-L390 HydrophobicContact CG-CD1 4.29Å; P387-L390 WeakPolarHBondContact O-CA 2.94Å; P387-L390 WeakPolarHBondContact O-CB 3.43Å; P387-L390 PolarHBondContact O-N 3Å; K388-L390 VanDerWaalsContact C-N 3.29Å; K388-L390 PolarHBondContact O-N 3.21Å; L390-E392 VanDerWaalsContact C-N 3.35Å; L390-E392 PolarHBondContact O-N 3.45Å; L390-A393 CarbonylContact O-C 3.5Å; L390-A393 WeakPolarHBondContact O-CA 3.25Å; L390-A393 WeakPolarHBondContact O-CB 3.42Å; L390-A393 PolarHBondContact O-N 3.05Å; L390-V394 WeakPolarHBondContact O-CG2 3.21Å; L390-V394 PolarHBondContact O-N 3.28Å |
| 391 | D | 98.3 | Very high | 97.6 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 5% | 0.053 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 173.9 | -161.7 | -4.9 | 0 | 0 | 0 | 111.6 | V184 T185 P387 K388 A393 V394 A395 | V184-D391 WeakPolarHBondContact CB-OD2 3.4Å; V184-D391 WeakPolarHBondContact CG2-OD2 3.31Å; V184-D391 PolarHBondContact N-OD1 3.37Å; V184-D391 PolarHBondContact N-OD2 3.25Å; T185-D391 WeakPolarHBondContact CB-OD1 3.5Å; T185-D391 WeakPolarHBondContact CG2-O 3.29Å; T185-D391 VanDerWaalsContact CG2-OD1 3.29Å; T185-D391 WeakPolarHBondContact CG2-OD1 3.45Å; T185-D391 PolarHBondContact N-OD1 2.92Å; T185-D391 PolarHBondContact OG1-OD1 3.46Å; P387-D391 PolarHBondContact O-N 3.23Å; K388-D391 WeakPolarHBondContact O-CB 3.48Å; K388-D391 PolarHBondContact O-N 3.01Å; D391-A393 VanDerWaalsContact C-N 3.31Å; D391-A393 PolarHBondContact O-N 3.22Å; D391-V394 WeakPolarHBondContact O-CB 3.44Å; D391-V394 PolarHBondContact O-N 3.02Å; D391-A395 PolarHBondContact O-N 2.86Å; D391-A395 VanDerWaalsContact O-N 3.16Å |
| 392 | E | 98.4 | Very high | 97.5 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 20% | 0.201 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 171.5 | -72.2 | 176 | 172.9 | 0 | 0 | 112.5 | K388 L390 A395 A396 P424 F425 | K388-E392 WeakPolarHBondContact O-CG 3.29Å; K388-E392 PolarHBondContact O-N 3.14Å; L390-E392 VanDerWaalsContact C-N 3.35Å; L390-E392 PolarHBondContact O-N 3.45Å; E392-A395 PolarHBondContact O-N 3.39Å; E392-A396 WeakPolarHBondContact O-CB 3.21Å; E392-A396 PolarHBondContact O-N 2.74Å; E392-P424 VanDerWaalsContact OE2-CA 3.32Å; E392-P424 WeakPolarHBondContact OE2-CA 3.43Å; E392-F425 WeakPolarHBondContact OE1-CD2 3.28Å; E392-F425 PolarHBondContact OE1-N 3.15Å |
| 393 | A | 97.4 | Very high | 97.5 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.8 | -35.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K389 L390 D391 A396 A397 | K389-A393 WeakPolarHBondContact O-CB 3.35Å; K389-A393 PolarHBondContact O-N 2.96Å; L390-A393 CarbonylContact O-C 3.5Å; L390-A393 WeakPolarHBondContact O-CA 3.25Å; L390-A393 WeakPolarHBondContact O-CB 3.42Å; L390-A393 PolarHBondContact O-N 3.05Å; D391-A393 VanDerWaalsContact C-N 3.31Å; D391-A393 PolarHBondContact O-N 3.22Å; A393-A396 PolarHBondContact O-N 3Å; A393-A397 WeakPolarHBondContact O-CB 3.44Å; A393-A397 PolarHBondContact O-N 2.8Å |
| 394 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.2 | -52.1 | 170.4 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | T185 N360 T363 L367 L390 D391 A396 A397 H398 | T185-V394 HydrophobicContact CG2-CB 4.1Å; T185-V394 HydrophobicContact CG2-CG1 4.07Å; T185-V394 WeakPolarHBondContact OG1-CG1 3.42Å; N360-V394 HydrophobicContact CB-CG1 4.27Å; T363-V394 HydrophobicContact CG2-CB 4.44Å; T363-V394 HydrophobicContact CG2-CG1 4.28Å; T363-V394 HydrophobicContact CG2-CG2 3.85Å; L367-V394 HydrophobicContact CD1-CG2 3.6Å; L390-V394 WeakPolarHBondContact O-CG2 3.21Å; L390-V394 PolarHBondContact O-N 3.28Å; D391-V394 WeakPolarHBondContact O-CB 3.44Å; D391-V394 PolarHBondContact O-N 3.02Å; V394-A396 VanDerWaalsContact C-N 3.35Å; V394-A396 PolarHBondContact O-N 2.86Å; V394-A397 PolarHBondContact O-N 3.47Å; V394-H398 PolarHBondContact O-ND1 2.86Å |
| 395 | A | 98.4 | Very high | 97.4 | Very high | 31 Ų | 31 | 61 Ų | 61 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.7 | -49 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | T185 D391 E392 A397 H398 L399 | T185-A395 HydrophobicContact CG2-CB 3.71Å; D391-A395 PolarHBondContact O-N 2.86Å; D391-A395 VanDerWaalsContact O-N 3.16Å; E392-A395 PolarHBondContact O-N 3.39Å; A395-A397 VanDerWaalsContact C-N 3.28Å; A395-A397 PolarHBondContact O-N 2.83Å; A395-H398 PolarHBondContact O-N 2.95Å; A395-H398 VanDerWaalsContact O-N 3.1Å; A395-L399 WeakPolarHBondContact O-CG 3.41Å |
| 396 | A | 97.3 | Very high | 97.4 | Very high | 51 Ų | 51 | 61 Ų | 61 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.7 | -38.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | E392 A393 V394 H398 L399 | E392-A396 WeakPolarHBondContact O-CB 3.21Å; E392-A396 PolarHBondContact O-N 2.74Å; A393-A396 PolarHBondContact O-N 3Å; V394-A396 VanDerWaalsContact C-N 3.35Å; V394-A396 PolarHBondContact O-N 2.86Å; A396-H398 PolarHBondContact O-N 2.81Å; A396-L399 PolarHBondContact O-N 2.81Å |
| 397 | A | 97.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 66.6 Ų | 66.6 | 13% | 0.132 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.2 | -16.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | M33 A393 V394 A395 | M33-A397 HydrophobicContact CB-CB 4.24Å; M33-A397 HydrophobicContact CG-CB 4.19Å; A393-A397 WeakPolarHBondContact O-CB 3.44Å; A393-A397 PolarHBondContact O-N 2.8Å; V394-A397 PolarHBondContact O-N 3.47Å; A395-A397 VanDerWaalsContact C-N 3.28Å; A395-A397 PolarHBondContact O-N 2.83Å |
| 398 | H | 98.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.019 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -99.7 | -14.9 | 179.2 | -65.4 | 78.1 | 0 | 0 | 0 | 113.3 | P29 F356 S359 N360 V394 A395 A396 | P29-H398 HydrophobicContact CG-CB 4.35Å; F356-H398 HydrophobicContact CE1-CB 4.48Å; F356-H398 HydrophobicContact CZ-CB 3.86Å; S359-H398 VanDerWaalsContact C-NE2 3.31Å; S359-H398 WeakPolarHBondContact CB-NE2 3.44Å; S359-H398 PolarHBondContact OG-NE2 2.85Å; N360-H398 PolarHBondContact N-NE2 2.97Å; V394-H398 PolarHBondContact O-ND1 2.86Å; A395-H398 PolarHBondContact O-N 2.95Å; A395-H398 VanDerWaalsContact O-N 3.1Å; A396-H398 PolarHBondContact O-N 2.81Å |
| 399 | L | 97.8 | Very high | 97.5 | Very high | 43 Ų | 43 | 72.4 Ų | 72.4 | 23% | 0.225 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.9 | -37.3 | -170.3 | -68 | -172 | 0 | 0 | 0 | 113.8 | A395 A396 Q401 L402 G403 V404 L406 | A395-L399 WeakPolarHBondContact O-CG 3.41Å; A396-L399 PolarHBondContact O-N 2.81Å; L399-Q401 PolarHBondContact O-N 2.92Å; L399-L402 PolarHBondContact O-N 3.34Å; L399-G403 PolarHBondContact O-N 2.95Å; L399-V404 HydrophobicContact CB-CB 4.01Å; L399-V404 HydrophobicContact CB-CG1 4.32Å; L399-V404 HydrophobicContact CD1-CG1 4.19Å; L399-V404 HydrophobicContact CD2-CB 4.18Å; L399-V404 HydrophobicContact CD2-CG1 4.09Å; L399-V404 HydrophobicContact CD2-CG2 4.33Å; L399-V404 HydrophobicContact CG-CG1 4.42Å; L399-V404 WeakPolarHBondContact O-CB 3.44Å; L399-V404 PolarHBondContact O-N 2.82Å; L399-L406 HydrophobicContact CD1-CB 4.27Å; L399-L406 HydrophobicContact CD1-CD1 4.16Å; L399-L406 HydrophobicContact CD1-CD2 4.17Å; L399-L406 HydrophobicContact CD1-CG 4.44Å |
| 400 | E | 94.9 | Very high | 97.6 | Very high | 172 Ų | 172 | 70.1 Ų | 70.1 | 80% | 0.804 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -43.7 | -176.5 | -177.6 | 171 | -164.7 | 0 | 0 | 111.8 | L402 G403 | E400-L402 PolarHBondContact O-N 2.64Å; E400-G403 PolarHBondContact O-N 3.27Å |
| 401 | Q | 95.4 | Very high | 97.6 | Very high | 76 Ų | 76 | 76.1 Ų | 76.1 | 36% | 0.355 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -30.9 | 177.4 | 177.7 | 163.7 | -10.3 | 0 | 0 | 112.7 | N26 E27 P29 F356 L399 G403 | N26-Q401 PolarHBondContact O-NE2 3.12Å; N26-Q401 PolarHBondContact O-OE1 3.41Å; E27-Q401 PolarHBondContact OE1-NE2 3.45Å; P29-Q401 HydrophobicContact CB-CB 4.25Å; P29-Q401 HydrophobicContact CG-CB 4.18Å; F356-Q401 HydrophobicContact CE2-CG 4.45Å; L399-Q401 PolarHBondContact O-N 2.92Å; Q401-G403 PolarHBondContact O-N 3.25Å |
| 402 | L | 97.1 | Very high | 97.6 | Very high | 104 Ų | 104 | 84.1 Ų | 84.1 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 2.9 | 176.6 | -60.2 | -179.4 | 0 | 0 | 0 | 113.2 | F356 L399 E400 V404 | F356-L402 HydrophobicContact CE1-CD1 4Å; F356-L402 HydrophobicContact CE1-CD2 4.32Å; F356-L402 HydrophobicContact CE1-CG 4.42Å; F356-L402 HydrophobicContact CE2-CD2 3.91Å; F356-L402 HydrophobicContact CE2-CG 4.12Å; F356-L402 HydrophobicContact CZ-CD1 3.57Å; F356-L402 HydrophobicContact CZ-CD2 3.67Å; F356-L402 HydrophobicContact CZ-CG 3.6Å; L399-L402 PolarHBondContact O-N 3.34Å; E400-L402 PolarHBondContact O-N 2.64Å; L402-V404 HydrophobicContact CB-CG2 3.96Å; L402-V404 PolarHBondContact O-N 3.38Å |
| 403 | G | 97.5 | Very high | 97.6 | Very high | 59 Ų | 59 | 86.3 Ų | 86.3 | 61% | 0.608 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 18.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L399 E400 Q401 | L399-G403 PolarHBondContact O-N 2.95Å; E400-G403 PolarHBondContact O-N 3.27Å; Q401-G403 PolarHBondContact O-N 3.25Å |
| 404 | V | 98.1 | Very high | 97.7 | Very high | 69 Ų | 69 | 84.3 Ų | 84.3 | 42% | 0.418 | 44% | 0.443 | S | S | . | . | trans | -76.9 | 128.9 | -178.3 | 174.5 | 0 | 0 | 0 | 0 | 110 | L399 L402 | L399-V404 HydrophobicContact CB-CB 4.01Å; L399-V404 HydrophobicContact CB-CG1 4.32Å; L399-V404 HydrophobicContact CD1-CG1 4.19Å; L399-V404 HydrophobicContact CD2-CB 4.18Å; L399-V404 HydrophobicContact CD2-CG1 4.09Å; L399-V404 HydrophobicContact CD2-CG2 4.33Å; L399-V404 HydrophobicContact CG-CG1 4.42Å; L399-V404 WeakPolarHBondContact O-CB 3.44Å; L399-V404 PolarHBondContact O-N 2.82Å; L402-V404 HydrophobicContact CB-CG2 3.96Å; L402-V404 PolarHBondContact O-N 3.38Å | ||
| 405 | K | 97.6 | Very high | 97.7 | Very high | 196 Ų | 196 | 89.8 Ų | 89.8 | 85% | 0.852 | 47% | 0.472 | S | S | * | . | trans | -102.5 | 97.2 | 174.8 | -65.2 | -179.8 | -178.2 | 177.6 | 0 | 109.8 | T407 | K405-T407 PolarHBondContact O-N 3.21Š| ||
| 406 | L | 97.1 | Very high | 97.7 | Very high | 121 Ų | 121 | 97.9 Ų | 97.9 | 63% | 0.634 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 128.7 | -178.4 | -166.1 | 65.4 | 0 | 0 | 0 | 111.1 | L399 | L399-L406 HydrophobicContact CD1-CB 4.27Å; L399-L406 HydrophobicContact CD1-CD1 4.16Å; L399-L406 HydrophobicContact CD1-CD2 4.17Å; L399-L406 HydrophobicContact CD1-CG 4.44Å |
| 407 | T | 97.8 | Very high | 97.7 | Very high | 124 Ų | 124 | 100.4 Ų | 100.4 | 76% | 0.761 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 132.6 | 175.2 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | K405 | K405-T407 PolarHBondContact O-N 3.21Š|
| 408 | K | 97.6 | Very high | 97.7 | Very high | 159 Ų | 159 | 102.9 Ų | 102.9 | 69% | 0.691 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -93.5 | 132.2 | 172.3 | -63.9 | -165 | 175.8 | -160.9 | 0 | 110.6 | T410 | K408-T410 PolarHBondContact O-N 3.02Š|
| 409 | L | 97.8 | Very high | 97.7 | Very high | 42 Ų | 42 | 104.5 Ų | 104.5 | 22% | 0.22 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 134.7 | 172.7 | -68.4 | 175.2 | 0 | 0 | 0 | 109.8 | Q413 A414 L417 V419 V421 F425 | L409-Q413 HydrophobicContact CB-CB 4.45Å; L409-Q413 HydrophobicContact CD2-CB 3.9Å; L409-A414 HydrophobicContact CB-CB 4.45Å; L409-A414 HydrophobicContact CD1-CB 4.48Å; L409-L417 HydrophobicContact CD1-CD1 4.29Å; L409-L417 HydrophobicContact CD2-CD1 4.27Å; L409-V419 HydrophobicContact CD1-CG2 4.1Å; L409-V421 WeakPolarHBondContact O-CG1 3.3Å; L409-F425 HydrophobicContact CD1-CD1 4.27Å; L409-F425 HydrophobicContact CD1-CE1 4.16Å |
| 410 | T | 98.5 | Very high | 97.7 | Very high | 78 Ų | 78 | 106 Ų | 106 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 155 | 161.3 | 63.6 | 0 | 0 | 0 | 0 | 109.3 | K408 K412 Q413 A414 | K408-T410 PolarHBondContact O-N 3.02Å; T410-K412 PolarHBondContact O-N 3.31Å; T410-Q413 PolarHBondContact O-N 3.47Å; T410-Q413 WeakPolarHBondContact OG1-CG 3.33Å; T410-Q413 PolarHBondContact OG1-N 2.97Å; T410-Q413 PolarHBondContact OG1-OE1 2.89Å; T410-A414 PolarHBondContact O-N 2.85Å |
| 411 | K | 98.4 | Very high | 97.8 | Very high | 156 Ų | 156 | 100 Ų | 100 | 68% | 0.678 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -52.6 | -41 | 175.4 | -176.4 | 167.1 | -179.3 | 175.4 | 0 | 112.5 | Q413 A414 D415 | K411-Q413 VanDerWaalsContact C-N 3.33Å; K411-Q413 PolarHBondContact O-N 3.21Å; K411-A414 PolarHBondContact O-N 2.86Å; K411-D415 WeakPolarHBondContact O-CB 3.46Å; K411-D415 PolarHBondContact O-N 3.37Å |
| 412 | K | 98.7 | Very high | 97.8 | Very high | 178 Ų | 178 | 102.4 Ų | 102.4 | 77% | 0.774 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.2 | -39.6 | 176.4 | -176.4 | 179.6 | 177.7 | -177.8 | 0 | 113 | T410 Y416 | T410-K412 PolarHBondContact O-N 3.31Å; K412-Y416 WeakPolarHBondContact O-CB 3.45Å; K412-Y416 PolarHBondContact O-N 3.44Å; K412-Y416 VanDerWaalsContact O-N 3.14Å |
| 413 | Q | 98.8 | Very high | 97.8 | Very high | 90 Ų | 90 | 97.8 Ų | 97.8 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73 | -41.3 | 178.3 | -70.5 | 163 | -47.2 | 0 | 0 | 111.7 | L409 T410 K411 Y416 L417 | L409-Q413 HydrophobicContact CB-CB 4.45Å; L409-Q413 HydrophobicContact CD2-CB 3.9Å; T410-Q413 PolarHBondContact O-N 3.47Å; T410-Q413 WeakPolarHBondContact OG1-CG 3.33Å; T410-Q413 PolarHBondContact OG1-N 2.97Å; T410-Q413 PolarHBondContact OG1-OE1 2.89Å; K411-Q413 VanDerWaalsContact C-N 3.33Å; K411-Q413 PolarHBondContact O-N 3.21Å; Q413-Y416 PolarHBondContact O-N 3.47Å; Q413-L417 WeakPolarHBondContact O-CB 3.24Å; Q413-L417 WeakPolarHBondContact O-CG 3.42Å; Q413-L417 PolarHBondContact O-N 3.17Å |
| 414 | A | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 97.4 Ų | 97.4 | 2% | 0.017 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -59.5 | -48 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L409 T410 K411 Y416 L417 G418 V419 V421 | L409-A414 HydrophobicContact CB-CB 4.45Å; L409-A414 HydrophobicContact CD1-CB 4.48Å; T410-A414 PolarHBondContact O-N 2.85Å; K411-A414 PolarHBondContact O-N 2.86Å; A414-Y416 VanDerWaalsContact C-N 3.32Å; A414-Y416 PolarHBondContact O-N 2.78Å; A414-L417 PolarHBondContact O-N 2.77Å; A414-G418 PolarHBondContact O-N 3.01Å; A414-V419 CarbonylContact C-O 3.5Å; A414-V419 WeakPolarHBondContact CB-O 3.35Å; A414-V419 PolarHBondContact O-N 3.17Å; A414-V421 HydrophobicContact CB-CG2 3.61Å |
| 415 | D | 98.3 | Very high | 97.8 | Very high | 114 Ų | 114 | 97.7 Ų | 97.7 | 61% | 0.61 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.2 | -39.3 | 176.3 | -65.3 | -19.1 | 0 | 0 | 0 | 111.7 | K411 G418 | K411-D415 WeakPolarHBondContact O-CB 3.46Å; K411-D415 PolarHBondContact O-N 3.37Å; D415-G418 PolarHBondContact O-N 3Å |
| 416 | Y | 98.5 | Very high | 97.8 | Very high | 201 Ų | 201 | 93 Ų | 93 | 79% | 0.788 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.8 | -41.5 | 176.9 | 176.5 | -92.8 | 0 | 0 | 0 | 112.9 | K412 Q413 A414 G418 | K412-Y416 WeakPolarHBondContact O-CB 3.45Å; K412-Y416 PolarHBondContact O-N 3.44Å; K412-Y416 VanDerWaalsContact O-N 3.14Å; Q413-Y416 PolarHBondContact O-N 3.47Å; A414-Y416 VanDerWaalsContact C-N 3.32Å; A414-Y416 PolarHBondContact O-N 2.78Å; Y416-G418 VanDerWaalsContact C-N 3.31Å |
| 417 | L | 98 | Very high | 97.8 | Very high | 104 Ų | 104 | 89.8 Ų | 89.8 | 55% | 0.545 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -78.8 | -16.6 | 179.9 | -69.8 | 174.1 | 0 | 0 | 0 | 112.8 | L409 Q413 A414 V419 | L409-L417 HydrophobicContact CD1-CD1 4.29Å; L409-L417 HydrophobicContact CD2-CD1 4.27Å; Q413-L417 WeakPolarHBondContact O-CB 3.24Å; Q413-L417 WeakPolarHBondContact O-CG 3.42Å; Q413-L417 PolarHBondContact O-N 3.17Å; A414-L417 PolarHBondContact O-N 2.77Å; L417-V419 HydrophobicContact CB-CG2 3.89Å; L417-V419 HydrophobicContact CD1-CG2 4.43Å |
| 418 | G | 97.5 | Very high | 97.7 | Very high | 69 Ų | 69 | 90.4 Ų | 90.4 | 71% | 0.711 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 32.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A414 D415 Y416 | A414-G418 PolarHBondContact O-N 3.01Å; D415-G418 PolarHBondContact O-N 3Å; Y416-G418 VanDerWaalsContact C-N 3.31Å |
| 419 | V | 97.4 | Very high | 97.6 | Very high | 37 Ų | 37 | 90.5 Ų | 90.5 | 22% | 0.224 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -127.9 | 153.7 | 178.8 | -58.5 | 0 | 0 | 0 | 0 | 111 | L409 A414 L417 | L409-V419 HydrophobicContact CD1-CG2 4.1Å; A414-V419 CarbonylContact C-O 3.5Å; A414-V419 WeakPolarHBondContact CB-O 3.35Å; A414-V419 PolarHBondContact O-N 3.17Å; L417-V419 HydrophobicContact CB-CG2 3.89Å; L417-V419 HydrophobicContact CD1-CG2 4.43Å |
| 420 | P | 97.4 | Very high | 97.6 | Very high | 74 Ų | 74 | 93.4 Ų | 93.4 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | trans | -65.4 | 153.1 | 173.3 | -18.1 | 31.8 | 0 | 0 | 0 | 112.3 | E422 G423 | P420-E422 PolarHBondContact O-N 3.24Å; P420-G423 WeakPolarHBondContact CB-O 2.83Å; P420-G423 WeakPolarHBondContact CG-O 3.38Å; P420-G423 PolarHBondContact O-N 3.45Å | ||
| 421 | V | 97.4 | Very high | 97.5 | Very high | 48 Ų | 48 | 100.3 Ų | 100.3 | 29% | 0.291 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -34.6 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | L409 A414 F425 | L409-V421 WeakPolarHBondContact O-CG1 3.3Å; A414-V421 HydrophobicContact CB-CG2 3.61Å; V421-F425 WeakPolarHBondContact O-CE1 3.37Å |
| 422 | E | 96.5 | Very high | 96.9 | Very high | 126 Ų | 126 | 98 Ų | 98 | 59% | 0.589 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 16.5 | -178 | -55.2 | -61.1 | 153.2 | 0 | 0 | 112.5 | P420 | P420-E422 PolarHBondContact O-N 3.24Š|
| 423 | G | 96.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 94.1 Ų | 94.1 | 6% | 0.062 | 47% | 0.466 | C | S | . | . | S | Bend | trans | 74.9 | -177.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | P420 | P420-G423 WeakPolarHBondContact CB-O 2.83Å; P420-G423 WeakPolarHBondContact CG-O 3.38Å; P420-G423 PolarHBondContact O-N 3.45Å |
| 424 | P | 97.8 | Very high | 96.7 | Very high | 51 Ų | 51 | 94.3 Ų | 94.3 | 33% | 0.331 | 47% | 0.468 | S | S | . | . | cis | -62 | 144 | 2.7 | -22.8 | 33.8 | 0 | 0 | 0 | 114.6 | K388 K389 E392 | K388-P424 HydrophobicContact CB-CB 4.32Å; K388-P424 HydrophobicContact CB-CG 4.48Å; K388-P424 HydrophobicContact CD-CB 4.06Å; K388-P424 HydrophobicContact CG-CB 4.23Å; K389-P424 HydrophobicContact CB-CG 4.13Å; E392-P424 VanDerWaalsContact OE2-CA 3.32Å; E392-P424 WeakPolarHBondContact OE2-CA 3.43Å | ||
| 425 | F | 98.1 | Very high | 96.6 | Very high | 75 Ų | 75 | 99.4 Ų | 99.4 | 33% | 0.329 | 49% | 0.493 | S | S | . | . | trans | -94.7 | -11.7 | -171.9 | -60.6 | -69.7 | 0 | 0 | 0 | 114.3 | E392 L409 V421 | E392-F425 WeakPolarHBondContact OE1-CD2 3.28Å; E392-F425 PolarHBondContact OE1-N 3.15Å; L409-F425 HydrophobicContact CD1-CD1 4.27Å; L409-F425 HydrophobicContact CD1-CE1 4.16Å; V421-F425 WeakPolarHBondContact O-CE1 3.37Å | ||
| 426 | K | 98.2 | Very high | 96.5 | Very high | 99 Ų | 99 | 98.5 Ų | 98.5 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -133.2 | 150 | -174.9 | -62.1 | -66.6 | -177 | -64.8 | 0 | 110.6 | K388 Y430 | K388-K426 HydrophobicContact CD-CB 4.42Å; K388-K426 WeakPolarHBondContact CD-O 3.29Å; K388-K426 VanDerWaalsContact CE-O 3.25Å; K388-K426 WeakPolarHBondContact CE-O 3.22Å; K426-Y430 HydrophobicContact CB-CD1 3.51Å; K426-Y430 HydrophobicContact CB-CE1 4.15Å; K426-Y430 HydrophobicContact CB-CG 3.91Å; K426-Y430 HydrophobicContact CD-CD1 3.57Å; K426-Y430 HydrophobicContact CD-CD2 4.23Å; K426-Y430 HydrophobicContact CD-CE1 3.36Å; K426-Y430 HydrophobicContact CD-CE2 4.13Å; K426-Y430 HydrophobicContact CD-CG 3.98Å; K426-Y430 VanDerWaalsContact CE-CE1 3.49Å; K426-Y430 HydrophobicContact CG-CD1 3.39Å; K426-Y430 HydrophobicContact CG-CE1 3.48Å; K426-Y430 VanDerWaalsContact CG-CE1 3.48Å; K426-Y430 HydrophobicContact CG-CG 4.11Å |
| 427 | A | 96.6 | Very high | 96.4 | Very high | 52 Ų | 52 | 92.1 Ų | 92.1 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | trans | -65.3 | 160.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K388 H429 Y430 | K388-A427 WeakPolarHBondContact CE-O 3.44Å; A427-H429 VanDerWaalsContact C-N 3.3Å; A427-H429 PolarHBondContact O-N 3.41Å; A427-Y430 VanDerWaalsContact O-CB 3.24Å; A427-Y430 WeakPolarHBondContact O-CB 3.43Å; A427-Y430 PolarHBondContact O-N 2.87Å | ||
| 428 | E | 95.4 | Very high | 96.3 | Very high | 138 Ų | 138 | 91.3 Ų | 91.3 | 65% | 0.645 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -36.7 | -178.2 | -70.8 | -55.9 | 149.2 | 0 | 0 | 114 | K388 Y430 | K388-E428 VanDerWaalsContact CE-OE1 3.27Å; K388-E428 WeakPolarHBondContact CE-OE1 3.15Å; K388-E428 WeakPolarHBondContact CE-OE2 3.35Å; K388-E428 IonicContact NZ-OE1 3.52Å; K388-E428 IonicContact NZ-OE2 3.77Å; K388-E428 PolarHBondContact NZ-OE2 2.88Å; E428-Y430 VanDerWaalsContact C-N 3.26Å; E428-Y430 PolarHBondContact O-N 3.4Å |
| 429 | H | 96.2 | Very high | 96.2 | Very high | 160 Ų | 160 | 92.9 Ų | 92.9 | 74% | 0.741 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 5.2 | -178.4 | 63.8 | -93.3 | 0 | 0 | 0 | 114.4 | A427 | A427-H429 VanDerWaalsContact C-N 3.3Å; A427-H429 PolarHBondContact O-N 3.41Å |
| 430 | Y | 97.9 | Very high | 96.1 | Very high | 103 Ų | 103 | 97.2 Ų | 97.2 | 40% | 0.404 | 46% | 0.462 | S | S | . | . | trans | -72.7 | 134.5 | -179.7 | -176.3 | -112 | 0 | 0 | 0 | 110.6 | K426 A427 E428 Y432 | K426-Y430 HydrophobicContact CB-CD1 3.51Å; K426-Y430 HydrophobicContact CB-CE1 4.15Å; K426-Y430 HydrophobicContact CB-CG 3.91Å; K426-Y430 HydrophobicContact CD-CD1 3.57Å; K426-Y430 HydrophobicContact CD-CD2 4.23Å; K426-Y430 HydrophobicContact CD-CE1 3.36Å; K426-Y430 HydrophobicContact CD-CE2 4.13Å; K426-Y430 HydrophobicContact CD-CG 3.98Å; K426-Y430 VanDerWaalsContact CE-CE1 3.49Å; K426-Y430 HydrophobicContact CG-CD1 3.39Å; K426-Y430 HydrophobicContact CG-CE1 3.48Å; K426-Y430 VanDerWaalsContact CG-CE1 3.48Å; K426-Y430 HydrophobicContact CG-CG 4.11Å; A427-Y430 VanDerWaalsContact O-CB 3.24Å; A427-Y430 WeakPolarHBondContact O-CB 3.43Å; A427-Y430 PolarHBondContact O-N 2.87Å; E428-Y430 VanDerWaalsContact C-N 3.26Å; E428-Y430 PolarHBondContact O-N 3.4Å; Y430-Y432 VanDerWaalsContact C-N 3.26Å; Y430-Y432 VanDerWaalsContact CE1-O 3.27Å; Y430-Y432 WeakPolarHBondContact CE1-O 3.49Å; Y430-Y432 WeakPolarHBondContact CE1-OXT 3.39Å; Y430-Y432 VanDerWaalsContact CZ-OXT 3.22Å; Y430-Y432 PolarHBondContact O-N 2.94Å; Y430-Y432 PolarHBondContact OH-O 3.45Å; Y430-Y432 PolarHBondContact OH-OXT 2.92Å | ||
| 431 | R | 95.3 | Very high | 96 | Very high | 224 Ų | 224 | 99.2 Ų | 99.2 | 85% | 0.845 | 46% | 0.46 | S | S | * | . | trans | -92.7 | 29.5 | -174.1 | -63.6 | -171.4 | 175.6 | 85.4 | -0.9 | 113.7 | ||||
| 432 | Y | 86.7 | Confident | 95.9 | Very high | 108 Ų | 108 | 103.8 Ų | 103.8 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | trans | 78.6 | 0 | -171.6 | -38.6 | -48.7 | 0 | 0 | 0 | 115.9 | D182 V184 S187 K188 Y430 | D182-Y432 PolarHBondContact O-OH 3.13Å; V184-Y432 VanDerWaalsContact CA-OH 3.27Å; V184-Y432 WeakPolarHBondContact CA-OH 3.32Å; V184-Y432 HydrophobicContact CB-CD1 3.46Å; V184-Y432 VanDerWaalsContact CB-CD1 3.46Å; V184-Y432 HydrophobicContact CB-CE1 3.18Å; V184-Y432 HydrophobicContact CB-CG 4.28Å; V184-Y432 HydrophobicContact CG1-CD1 3.06Å; V184-Y432 HydrophobicContact CG1-CD2 4.1Å; V184-Y432 HydrophobicContact CG1-CE1 3.33Å; V184-Y432 HydrophobicContact CG1-CE2 4.27Å; V184-Y432 HydrophobicContact CG1-CG 3.45Å; V184-Y432 VanDerWaalsContact CG1-CG 3.45Å; V184-Y432 HydrophobicContact CG2-CD1 3.2Å; V184-Y432 HydrophobicContact CG2-CE1 2.92Å; V184-Y432 HydrophobicContact CG2-CG 4.39Å; V184-Y432 PolarHBondContact N-OH 2.73Å; S187-Y432 PolarHBondContact OG-OH 3.22Å; K188-Y432 HydrophobicContact CD-CD2 3.84Å; K188-Y432 HydrophobicContact CD-CE2 3.83Å; K188-Y432 HydrophobicContact CG-CD2 3.25Å; K188-Y432 HydrophobicContact CG-CE2 3.29Å; K188-Y432 HydrophobicContact CG-CG 4.15Å; Y430-Y432 VanDerWaalsContact C-N 3.26Å; Y430-Y432 VanDerWaalsContact CE1-O 3.27Å; Y430-Y432 WeakPolarHBondContact CE1-O 3.49Å; Y430-Y432 WeakPolarHBondContact CE1-OXT 3.39Å; Y430-Y432 VanDerWaalsContact CZ-OXT 3.22Å; Y430-Y432 PolarHBondContact O-N 2.94Å; Y430-Y432 PolarHBondContact OH-O 3.45Å; Y430-Y432 PolarHBondContact OH-OXT 2.92Å |
Retrieved 432 of 432 residues in 247.5 ms
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