| 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 | 43.1 | Very low | 77.6 | Confident | 226 Ų | 226 | 87.6 Ų | 87.6 | 100% | 1.113 | 43% | 0.428 | S | S | * | . | 0 | 137 | 0 | -88.6 | 177.2 | -174.9 | 0 | 0 | 107.1 | G44 | M1-G44 CarbonylContact C-O 3.5Š| |||
| 2 | V | 56.1 | Low | 78.9 | Confident | 70 Ų | 70 | 80.9 Ų | 80.9 | 42% | 0.424 | 40% | 0.396 | S | S | . | . | trans | -58.9 | 135.4 | 171.8 | -171 | 0 | 0 | 0 | 0 | 108 | F4 G44 I45 | V2-F4 HydrophobicContact CG1-CD1 3.65Å; V2-F4 HydrophobicContact CG1-CD2 4.08Å; V2-F4 HydrophobicContact CG1-CE1 3.32Å; V2-F4 HydrophobicContact CG1-CE2 3.76Å; V2-F4 HydrophobicContact CG1-CG 4.02Å; V2-F4 HydrophobicContact CG1-CZ 3.39Å; V2-F4 PolarHBondContact O-N 3.18Å; V2-G44 WeakPolarHBondContact CA-O 3.39Å; V2-G44 PolarHBondContact N-O 3.43Å; V2-I45 HydrophobicContact CG1-CG1 4.11Å | ||
| 3 | K | 69.5 | Low | 80.2 | Confident | 135 Ų | 135 | 74.8 Ų | 74.8 | 59% | 0.587 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -82.7 | 13.6 | -172.7 | -68 | -179.9 | -178.7 | 165.9 | 0 | 113.9 | K42 A43 | K3-K42 PolarHBondContact NZ-O 3.29Å; K3-K42 VanDerWaalsContact NZ-O 3.16Å; K3-A43 PolarHBondContact N-O 3.02Å |
| 4 | F | 76.2 | Confident | 81.2 | Confident | 23 Ų | 23 | 74.2 Ų | 74.2 | 10% | 0.101 | 37% | 0.365 | C | S | . | . | trans | -151.5 | 159.9 | -176.9 | 60.6 | -96.3 | 0 | 0 | 0 | 111.4 | V2 E8 L9 A43 I45 Y78 M446 | V2-F4 HydrophobicContact CG1-CD1 3.65Å; V2-F4 HydrophobicContact CG1-CD2 4.08Å; V2-F4 HydrophobicContact CG1-CE1 3.32Å; V2-F4 HydrophobicContact CG1-CE2 3.76Å; V2-F4 HydrophobicContact CG1-CG 4.02Å; V2-F4 HydrophobicContact CG1-CZ 3.39Å; V2-F4 PolarHBondContact O-N 3.18Å; F4-E8 VanDerWaalsContact CA-OE2 3.22Å; F4-E8 WeakPolarHBondContact CA-OE2 3.48Å; F4-L9 HydrophobicContact CD2-CD1 3.68Å; F4-L9 HydrophobicContact CD2-CD2 3.86Å; F4-L9 HydrophobicContact CD2-CG 3.6Å; F4-L9 HydrophobicContact CE2-CD1 3.4Å; F4-L9 HydrophobicContact CE2-CD2 4.14Å; F4-L9 HydrophobicContact CE2-CG 3.87Å; F4-L9 HydrophobicContact CG-CD2 4.28Å; F4-L9 HydrophobicContact CG-CG 4.43Å; F4-L9 HydrophobicContact CZ-CD1 4.29Å; F4-A43 HydrophobicContact CE1-CB 4.4Å; F4-I45 HydrophobicContact CE1-CD1 4.27Å; F4-I45 HydrophobicContact CE1-CG1 4.18Å; F4-I45 HydrophobicContact CZ-CD1 4.09Å; F4-I45 HydrophobicContact CZ-CG1 4.19Å; F4-Y78 HydrophobicContact CB-CD1 4.33Å; F4-Y78 HydrophobicContact CB-CG 4.27Å; F4-M446 HydrophobicContact CE2-CE 3.94Å; F4-M446 HydrophobicContact CZ-CE 3.7Å | ||
| 5 | T | 83.4 | Confident | 82.2 | Confident | 69 Ų | 69 | 71.1 Ų | 71.1 | 42% | 0.423 | 35% | 0.348 | S | S | . | . | trans | -104.7 | 161.8 | 173.9 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | D7 E8 L9 | T5-D7 VanDerWaalsContact C-N 3.26Å; T5-D7 PolarHBondContact O-N 3.31Å; T5-E8 PolarHBondContact N-OE2 3.16Å; T5-E8 PolarHBondContact O-N 2.92Å; T5-E8 WeakPolarHBondContact OG1-CB 3.47Å; T5-E8 VanDerWaalsContact OG1-CG 3.22Å; T5-E8 WeakPolarHBondContact OG1-CG 3.43Å; T5-E8 PolarHBondContact OG1-N 3.18Å; T5-E8 PolarHBondContact OG1-OE2 2.77Å; T5-E8 VanDerWaalsContact OG1-OE2 3.11Å; T5-L9 PolarHBondContact O-N 3.24Å; T5-L9 VanDerWaalsContact O-N 3.12Å | ||
| 6 | V | 83.3 | Confident | 83 | Confident | 48 Ų | 48 | 68.8 Ų | 68.8 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 175.2 | 179.3 | 0 | 0 | 0 | 0 | 111 | L9 R10 E451 I453 | V6-L9 PolarHBondContact O-N 3.01Å; V6-R10 PolarHBondContact O-N 3.14Å; V6-E451 HydrophobicContact CG1-CB 4.3Å; V6-E451 HydrophobicContact CG2-CB 4.14Å; V6-E451 HydrophobicContact CG2-CG 3.84Å; V6-I453 HydrophobicContact CG1-CG2 3.92Å |
| 7 | D | 84.9 | Confident | 83.8 | Confident | 133 Ų | 133 | 70.9 Ų | 70.9 | 71% | 0.711 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.1 | -39.5 | 177.7 | -63.5 | -27.3 | 0 | 0 | 0 | 112.1 | T5 R10 R11 | T5-D7 VanDerWaalsContact C-N 3.26Å; T5-D7 PolarHBondContact O-N 3.31Å; D7-R10 PolarHBondContact O-N 2.83Å; D7-R11 WeakPolarHBondContact O-CB 3.29Å; D7-R11 PolarHBondContact O-N 3.38Å |
| 8 | E | 86.5 | Confident | 84.5 | Confident | 87 Ų | 87 | 66.9 Ų | 66.9 | 41% | 0.407 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 172.9 | -77.2 | 165.4 | 160.2 | 0 | 0 | 111.4 | F4 T5 R11 M12 | F4-E8 VanDerWaalsContact CA-OE2 3.22Å; F4-E8 WeakPolarHBondContact CA-OE2 3.48Å; T5-E8 PolarHBondContact N-OE2 3.16Å; T5-E8 PolarHBondContact O-N 2.92Å; T5-E8 WeakPolarHBondContact OG1-CB 3.47Å; T5-E8 VanDerWaalsContact OG1-CG 3.22Å; T5-E8 WeakPolarHBondContact OG1-CG 3.43Å; T5-E8 PolarHBondContact OG1-N 3.18Å; T5-E8 PolarHBondContact OG1-OE2 2.77Å; T5-E8 VanDerWaalsContact OG1-OE2 3.11Å; E8-R11 PolarHBondContact O-N 3.45Å; E8-M12 WeakPolarHBondContact O-CB 3.44Å; E8-M12 VanDerWaalsContact O-CG 3.29Å; E8-M12 WeakPolarHBondContact O-CG 3.2Å; E8-M12 PolarHBondContact O-N 2.88Å |
| 9 | L | 88.4 | Confident | 85.2 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.3 | -46 | 175.6 | -68.9 | -174.7 | 0 | 0 | 0 | 111.6 | F4 T5 V6 R11 M12 M13 L108 L444 M446 | F4-L9 HydrophobicContact CD2-CD1 3.68Å; F4-L9 HydrophobicContact CD2-CD2 3.86Å; F4-L9 HydrophobicContact CD2-CG 3.6Å; F4-L9 HydrophobicContact CE2-CD1 3.4Å; F4-L9 HydrophobicContact CE2-CD2 4.14Å; F4-L9 HydrophobicContact CE2-CG 3.87Å; F4-L9 HydrophobicContact CG-CD2 4.28Å; F4-L9 HydrophobicContact CG-CG 4.43Å; F4-L9 HydrophobicContact CZ-CD1 4.29Å; T5-L9 PolarHBondContact O-N 3.24Å; T5-L9 VanDerWaalsContact O-N 3.12Å; V6-L9 PolarHBondContact O-N 3.01Å; L9-R11 VanDerWaalsContact C-N 3.34Å; L9-R11 PolarHBondContact O-N 2.76Å; L9-M12 WeakPolarHBondContact O-CB 3.47Å; L9-M12 PolarHBondContact O-N 3.12Å; L9-M12 VanDerWaalsContact O-N 3.15Å; L9-M13 WeakPolarHBondContact O-CG 3.22Å; L9-M13 PolarHBondContact O-N 3.33Å; L9-M13 VanDerWaalsContact O-N 3.11Å; L9-L108 HydrophobicContact CD2-CD1 3.68Å; L9-L444 HydrophobicContact CD1-CD2 3.52Å; L9-M446 HydrophobicContact CD1-SD 4.41Å |
| 10 | R | 91.3 | Very high | 85.8 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 19% | 0.189 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 177.4 | 174.8 | 59.1 | -167.9 | 82.5 | -0.4 | 111.2 | V6 D7 M12 M13 D14 D455 | V6-R10 PolarHBondContact O-N 3.14Å; D7-R10 PolarHBondContact O-N 2.83Å; R10-M12 VanDerWaalsContact C-N 3.33Å; R10-M12 PolarHBondContact O-N 2.91Å; R10-M13 VanDerWaalsContact O-CB 3.29Å; R10-M13 WeakPolarHBondContact O-CB 3.43Å; R10-M13 PolarHBondContact O-N 3.11Å; R10-D14 IonicContact CZ-OD1 2.65Å; R10-D14 IonicContact NH1-OD1 2.77Å; R10-D14 PolarHBondContact NH1-OD1 2.89Å; R10-D14 IonicContact NH1-OD2 3.41Å; R10-D14 PolarHBondContact NH1-OD2 3.45Å; R10-D14 IonicContact NH2-OD1 4Å; R10-D455 WeakPolarHBondContact CD-O 3.22Å; R10-D455 IonicContact CZ-OD1 2.69Å; R10-D455 IonicContact CZ-OD2 3.47Å; R10-D455 PolarHBondContact NE-O 3.14Å; R10-D455 VanDerWaalsContact NE-O 3.11Å; R10-D455 IonicContact NE-OD1 3.63Å; R10-D455 IonicContact NE-OD2 2.82Å; R10-D455 PolarHBondContact NE-OD2 3.45Å; R10-D455 VanDerWaalsContact NE-OD2 3.16Å; R10-D455 IonicContact NH2-OD1 3.35Å; R10-D455 PolarHBondContact NH2-OD1 3.46Å; R10-D455 IonicContact NH2-OD2 3.1Å; R10-D455 PolarHBondContact NH2-OD2 3Å |
| 11 | R | 91.4 | Very high | 86.4 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 46% | 0.457 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 174.1 | 179.1 | -176 | 169.6 | -163.3 | -6.1 | 111.6 | D7 E8 L9 M13 D14 Y15 | D7-R11 WeakPolarHBondContact O-CB 3.29Å; D7-R11 PolarHBondContact O-N 3.38Å; E8-R11 PolarHBondContact O-N 3.45Å; L9-R11 VanDerWaalsContact C-N 3.34Å; L9-R11 PolarHBondContact O-N 2.76Å; R11-M13 PolarHBondContact O-N 3.03Å; R11-D14 PolarHBondContact O-N 3.44Å; R11-Y15 HydrophobicContact CG-CE2 4.24Å; R11-Y15 PolarHBondContact NE-OH 2.89Å; R11-Y15 PolarHBondContact NH2-OH 3.25Å |
| 12 | M | 93.3 | Very high | 88.9 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.034 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.7 | -24.6 | 178.7 | -73.2 | -55.6 | -51.9 | 0 | 0 | 113.3 | E8 L9 R10 D14 Y15 N18 Y78 E104 G106 L108 | E8-M12 WeakPolarHBondContact O-CB 3.44Å; E8-M12 VanDerWaalsContact O-CG 3.29Å; E8-M12 WeakPolarHBondContact O-CG 3.2Å; E8-M12 PolarHBondContact O-N 2.88Å; L9-M12 WeakPolarHBondContact O-CB 3.47Å; L9-M12 PolarHBondContact O-N 3.12Å; L9-M12 VanDerWaalsContact O-N 3.15Å; R10-M12 VanDerWaalsContact C-N 3.33Å; R10-M12 PolarHBondContact O-N 2.91Å; M12-D14 PolarHBondContact O-N 3.34Å; M12-Y15 HydrophobicContact CE-CD2 3.93Å; M12-Y15 PolarHBondContact O-N 3.18Å; M12-Y15 VanDerWaalsContact O-N 3.13Å; M12-Y15 HydrophobicContact SD-CD2 3.71Å; M12-Y15 HydrophobicContact SD-CE2 4.2Å; M12-N18 HydrophobicContact CE-CB 4.15Å; M12-Y78 HydrophobicContact CG-CD2 4.05Å; M12-Y78 HydrophobicContact CG-CE2 3.97Å; M12-Y78 HydrophobicContact SD-CE2 4.06Å; M12-E104 HydrophobicContact CE-CG 4.15Å; M12-E104 HydrophobicContact SD-CG 4.43Å; M12-G106 WeakPolarHBondContact CE-O 3.5Å; M12-L108 HydrophobicContact CB-CB 4.06Å; M12-L108 HydrophobicContact CB-CD2 4.45Å |
| 13 | M | 94.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.4 | 175.3 | -62.9 | -175 | 175.6 | 0 | 0 | 113.1 | L9 R10 R11 I19 L108 L444 I453 V456 P457 N460 | L9-M13 WeakPolarHBondContact O-CG 3.22Å; L9-M13 PolarHBondContact O-N 3.33Å; L9-M13 VanDerWaalsContact O-N 3.11Å; R10-M13 VanDerWaalsContact O-CB 3.29Å; R10-M13 WeakPolarHBondContact O-CB 3.43Å; R10-M13 PolarHBondContact O-N 3.11Å; R11-M13 PolarHBondContact O-N 3.03Å; M13-I19 WeakPolarHBondContact O-CD1 3.24Å; M13-L108 HydrophobicContact CG-CD2 3.88Å; M13-L444 HydrophobicContact CE-CD1 3.67Å; M13-I453 HydrophobicContact CE-CD1 3.93Å; M13-I453 HydrophobicContact SD-CD1 4.32Å; M13-V456 HydrophobicContact SD-CG1 4.25Å; M13-V456 HydrophobicContact SD-CG2 4.5Å; M13-P457 HydrophobicContact CB-CG 3.7Å; M13-P457 WeakPolarHBondContact O-CG 3.19Å; M13-N460 WeakPolarHBondContact CG-OD1 3.4Å; M13-N460 PolarHBondContact O-ND2 2.81Å; M13-N460 VanDerWaalsContact O-ND2 3.1Å |
| 14 | D | 94.8 | Very high | 92 | Very high | 67 Ų | 67 | 37 Ų | 37 | 36% | 0.358 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -24.6 | 178.1 | -60.1 | -33.4 | 0 | 0 | 0 | 112 | R10 R11 M12 K16 | R10-D14 IonicContact CZ-OD1 2.65Å; R10-D14 IonicContact NH1-OD1 2.77Å; R10-D14 PolarHBondContact NH1-OD1 2.89Å; R10-D14 IonicContact NH1-OD2 3.41Å; R10-D14 PolarHBondContact NH1-OD2 3.45Å; R10-D14 IonicContact NH2-OD1 4Å; R11-D14 PolarHBondContact O-N 3.44Å; M12-D14 PolarHBondContact O-N 3.34Å; D14-K16 PolarHBondContact O-N 2.65Å |
| 15 | Y | 95.8 | Very high | 92.9 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 11% | 0.11 | 17% | 0.169 | C | C | . | . | trans | -83.1 | 64.1 | 178.9 | -61.3 | -44.7 | 0 | 0 | 0 | 111.3 | R11 M12 R17 N18 S96 N98 E104 | R11-Y15 HydrophobicContact CG-CE2 4.24Å; R11-Y15 PolarHBondContact NE-OH 2.89Å; R11-Y15 PolarHBondContact NH2-OH 3.25Å; M12-Y15 HydrophobicContact CE-CD2 3.93Å; M12-Y15 PolarHBondContact O-N 3.18Å; M12-Y15 VanDerWaalsContact O-N 3.13Å; M12-Y15 HydrophobicContact SD-CD2 3.71Å; M12-Y15 HydrophobicContact SD-CE2 4.2Å; Y15-R17 PolarHBondContact O-N 3.4Å; Y15-N18 WeakPolarHBondContact O-CA 3.42Å; Y15-N18 WeakPolarHBondContact O-CB 3.31Å; Y15-N18 PolarHBondContact O-N 3.38Å; Y15-S96 PolarHBondContact O-OG 3.46Å; Y15-N98 HydrophobicContact CE1-CB 4.44Å; Y15-E104 HydrophobicContact CD2-CG 3.73Å; Y15-E104 HydrophobicContact CE2-CG 4.05Å; Y15-E104 WeakPolarHBondContact CE2-OE2 3.31Å; Y15-E104 HydrophobicContact CG-CG 4.15Å | ||
| 16 | K | 95.2 | Very high | 93.3 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 15% | 0.148 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -51.9 | -27.7 | -171.7 | -64.1 | 175.5 | -67.2 | -166 | 0 | 115.3 | D14 N18 I19 P353 V354 C380 C458 | D14-K16 PolarHBondContact O-N 2.65Å; K16-N18 VanDerWaalsContact C-N 3.31Å; K16-I19 HydrophobicContact CG-CD1 4.48Å; K16-P353 VanDerWaalsContact O-CD 3.26Å; K16-P353 WeakPolarHBondContact O-CD 2.97Å; K16-P353 VanDerWaalsContact O-CG 3.24Å; K16-P353 WeakPolarHBondContact O-CG 3.33Å; K16-V354 HydrophobicContact CB-CG2 3.55Å; K16-C380 PolarHBondContact NZ-O 3.04Å; K16-C458 WeakPolarHBondContact CD-O 3.32Å |
| 17 | R | 96.4 | Very high | 93.4 | Very high | 104 Ų | 104 | 31.2 Ų | 31.2 | 39% | 0.392 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -76.8 | -17.3 | 177.2 | -61.7 | 174.7 | 176.4 | 176.5 | 0.5 | 113.5 | Y15 R20 P94 I95 S96 S352 V354 | Y15-R17 PolarHBondContact O-N 3.4Å; R17-R20 PolarHBondContact O-NH1 3.37Å; R17-P94 WeakPolarHBondContact CB-O 3.36Å; R17-I95 WeakPolarHBondContact CD-O 3.49Å; R17-I95 PolarHBondContact NH1-O 2.87Å; R17-S96 WeakPolarHBondContact CB-OG 3.26Å; R17-S96 PolarHBondContact N-OG 2.87Å; R17-S352 WeakPolarHBondContact O-CB 3.45Å; R17-V354 HydrophobicContact CG-CG2 4.15Å |
| 18 | N | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -102.4 | 9.9 | -179.5 | -68.1 | 51.2 | 0 | 0 | 0 | 112.6 | M12 Y15 K16 I95 S96 E104 G106 F107 L108 | M12-N18 HydrophobicContact CE-CB 4.15Å; Y15-N18 WeakPolarHBondContact O-CA 3.42Å; Y15-N18 WeakPolarHBondContact O-CB 3.31Å; Y15-N18 PolarHBondContact O-N 3.38Å; K16-N18 VanDerWaalsContact C-N 3.31Å; N18-I95 WeakPolarHBondContact ND2-CG1 3.46Å; N18-I95 VanDerWaalsContact OD1-CG1 3.25Å; N18-I95 WeakPolarHBondContact OD1-CG1 3.48Å; N18-S96 WeakPolarHBondContact OD1-CB 3.37Å; N18-S96 PolarHBondContact OD1-N 3.46Å; N18-S96 PolarHBondContact OD1-OG 3.43Å; N18-E104 PolarHBondContact ND2-O 3.43Å; N18-G106 WeakPolarHBondContact CB-O 3.49Å; N18-G106 PolarHBondContact ND2-O 3.32Å; N18-F107 HydrophobicContact CB-CD1 4.1Å; N18-F107 HydrophobicContact CB-CE1 4.18Å; N18-F107 HydrophobicContact CB-CG 4.41Å; N18-F107 WeakPolarHBondContact O-CA 3.3Å; N18-F107 VanDerWaalsContact O-CD1 3.27Å; N18-F107 WeakPolarHBondContact O-CD1 3.48Å; N18-L108 PolarHBondContact O-N 3.28Å |
| 19 | I | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 140 | 175.3 | -56.4 | 173.1 | 0 | 0 | 0 | 109.2 | M13 K16 L108 P353 N460 | M13-I19 WeakPolarHBondContact O-CD1 3.24Å; K16-I19 HydrophobicContact CG-CD1 4.48Å; I19-L108 CarbonylContact C-O 3.56Å; I19-L108 WeakPolarHBondContact CA-O 3.38Å; I19-L108 HydrophobicContact CG1-CB 4.4Å; I19-L108 HydrophobicContact CG1-CD2 4.42Å; I19-P353 HydrophobicContact CB-CG 3.97Å; I19-P353 HydrophobicContact CD1-CG 4.42Å; I19-P353 HydrophobicContact CG2-CG 4.3Å; I19-P353 WeakPolarHBondContact O-CD 3.36Å; I19-N460 WeakPolarHBondContact CD1-ND2 3.25Å; I19-N460 WeakPolarHBondContact CD1-OD1 3.2Å |
| 20 | R | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 102.7 | 170.9 | -61.5 | -63.7 | 178.7 | -90.9 | 2.9 | 109.2 | R17 Q93 L108 I109 N110 I346 C347 L350 | R17-R20 PolarHBondContact O-NH1 3.37Å; R20-Q93 VanDerWaalsContact NH2-CD 3.34Å; R20-L108 PolarHBondContact N-O 3.32Å; R20-I109 HydrophobicContact CB-CG1 4.3Å; R20-I109 HydrophobicContact CB-CG2 4.44Å; R20-I109 CarbonylContact O-C 3.54Å; R20-I109 WeakPolarHBondContact O-CA 3.32Å; R20-N110 PolarHBondContact O-N 3Å; R20-I346 HydrophobicContact CB-CG2 4.09Å; R20-I346 HydrophobicContact CG-CG2 4.3Å; R20-C347 VanDerWaalsContact CZ-O 3.31Å; R20-C347 PolarHBondContact NE-O 3.33Å; R20-C347 PolarHBondContact NH2-O 3.2Å; R20-L350 VanDerWaalsContact CD-O 3.32Å; R20-L350 WeakPolarHBondContact CD-O 3.11Å; R20-L350 PolarHBondContact NE-O 3.38Å |
| 21 | N | 97.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 118.2 | 169.7 | -52.9 | -59.4 | 0 | 0 | 0 | 108.2 | N110 T131 D132 G133 G459 | N21-N110 WeakPolarHBondContact CA-O 3.33Å; N21-N110 HydrophobicContact CB-CB 4.49Å; N21-N110 VanDerWaalsContact OD1-CB 3.29Å; N21-N110 WeakPolarHBondContact OD1-CB 3.42Å; N21-N110 PolarHBondContact OD1-ND2 3.21Å; N21-T131 HydrophobicContact CB-CG2 4.4Å; N21-D132 WeakPolarHBondContact CB-OD2 3.46Å; N21-D132 PolarHBondContact ND2-OD2 3.35Å; N21-D132 PolarHBondContact O-N 2.99Å; N21-G133 PolarHBondContact O-N 2.84Å; N21-G133 VanDerWaalsContact O-N 3.14Å; N21-G459 PolarHBondContact ND2-O 3.47Å |
| 22 | M | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 144.9 | -173.2 | 69.2 | 122.6 | -57.8 | 0 | 0 | 113.7 | V24 I109 N110 L111 I112 T131 G133 L135 I346 L350 | M22-V24 HydrophobicContact CE-CB 4.31Å; M22-V24 HydrophobicContact CE-CG2 3.52Å; M22-V24 VanDerWaalsContact CE-N 3.32Å; M22-I109 HydrophobicContact CG-CG2 3.99Å; M22-N110 PolarHBondContact N-O 3.03Å; M22-L111 HydrophobicContact CE-CD1 4.49Å; M22-L111 HydrophobicContact CE-CG 4.39Å; M22-L111 CarbonylContact O-C 3.59Å; M22-L111 WeakPolarHBondContact O-CA 3.35Å; M22-L111 HydrophobicContact SD-CD1 4.26Å; M22-L111 HydrophobicContact SD-CG 4.47Å; M22-I112 PolarHBondContact O-N 3.37Å; M22-T131 VanDerWaalsContact C-CG2 3.47Å; M22-G133 WeakPolarHBondContact CA-O 3.48Å; M22-L135 HydrophobicContact CE-CB 3.9Å; M22-I346 HydrophobicContact CG-CG2 4.42Å; M22-I346 HydrophobicContact SD-CD1 3.67Å; M22-I346 HydrophobicContact SD-CG1 4.04Å; M22-I346 HydrophobicContact SD-CG2 4.42Å; M22-L350 HydrophobicContact CB-CD1 3.68Å; M22-L350 HydrophobicContact CG-CD1 4.43Å |
| 23 | S | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 134.9 | 173.6 | -63.9 | 0 | 0 | 0 | 0 | 111 | I112 T131 G133 A134 L135 | S23-I112 CarbonylContact C-O 3.55Å; S23-I112 VanDerWaalsContact CA-O 3.28Å; S23-I112 WeakPolarHBondContact CA-O 3.25Å; S23-T131 WeakPolarHBondContact OG-CG2 3.35Å; S23-T131 PolarHBondContact OG-OG1 3.41Å; S23-G133 PolarHBondContact N-O 2.94Å; S23-A134 CarbonylContact O-C 3.48Å; S23-A134 VanDerWaalsContact O-CA 3.25Å; S23-A134 WeakPolarHBondContact O-CA 3.29Å; S23-L135 PolarHBondContact O-N 3.42Å |
| 24 | V | 95.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 119.4 | 169.4 | -164 | 0 | 0 | 0 | 0 | 107.5 | M22 K32 L111 I112 S114 L135 V137 | M22-V24 HydrophobicContact CE-CB 4.31Å; M22-V24 HydrophobicContact CE-CG2 3.52Å; M22-V24 VanDerWaalsContact CE-N 3.32Å; V24-K32 HydrophobicContact CB-CG 4.02Å; V24-K32 HydrophobicContact CG1-CD 4.45Å; V24-K32 HydrophobicContact CG1-CG 3.57Å; V24-L111 HydrophobicContact CG2-CD1 4.01Å; V24-L111 HydrophobicContact CG2-CD2 4.39Å; V24-L111 HydrophobicContact CG2-CG 4.19Å; V24-I112 PolarHBondContact N-O 3.17Å; V24-S114 PolarHBondContact O-N 3.38Å; V24-S114 PolarHBondContact O-OG 3.03Å; V24-L135 HydrophobicContact CG1-CB 4.39Å; V24-L135 HydrophobicContact CG1-CD2 4.28Å; V24-L135 HydrophobicContact CG1-CG 4.44Å; V24-V137 HydrophobicContact CG1-CG2 3.61Å |
| 25 | I | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.8 | -177.3 | 63.6 | 179.1 | 0 | 0 | 0 | 110.2 | V124 L128 A134 L135 V136 V137 V151 A155 | I25-V124 HydrophobicContact CG2-CG1 4.14Å; I25-L128 HydrophobicContact CG2-CD2 4.2Å; I25-A134 HydrophobicContact CD1-CB 3.7Å; I25-A134 HydrophobicContact CG1-CB 4.1Å; I25-L135 PolarHBondContact N-O 2.81Å; I25-V136 HydrophobicContact CD1-CG2 4.04Å; I25-V136 HydrophobicContact CG1-CB 4.5Å; I25-V136 HydrophobicContact CG1-CG2 4.07Å; I25-V136 WeakPolarHBondContact O-CA 3.4Å; I25-V137 PolarHBondContact O-N 2.65Å; I25-V151 HydrophobicContact CB-CB 4.15Å; I25-V151 HydrophobicContact CB-CG2 3.82Å; I25-V151 HydrophobicContact CD1-CB 4.42Å; I25-V151 HydrophobicContact CD1-CG2 4.11Å; I25-V151 HydrophobicContact CG1-CG2 4.09Å; I25-A155 HydrophobicContact CD1-CB 3.84Å |
| 26 | A | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 160 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | H30 K32 G116 V137 | A26-H30 HydrophobicContact CB-CB 4.02Å; A26-K32 HydrophobicContact CB-CB 3.92Å; A26-K32 HydrophobicContact CB-CD 4.4Å; A26-K32 HydrophobicContact CB-CG 4.31Å; A26-G116 WeakPolarHBondContact O-CA 3.27Å; A26-V137 HydrophobicContact CB-CB 3.82Å |
| 27 | H | 86 | Confident | 91 | Very high | 19 Ų | 19 | 13.4 Ų | 13.4 | 9% | 0.088 | 7% | 0.068 | C | C | . | . | trans | -67.5 | 159.7 | 162 | -179 | 95.2 | 0 | 0 | 0 | 110.8 | H30 C145 Q147 T148 Q803 | H27-H30 AromaticContact CD2-CD2 3.71Å; H27-H30 AromaticContact CD2-NE2 3.57Å; H27-H30 AromaticContact CG-NE2 3.91Å; H27-H30 WeakPolarHBondContact O-CB 2.8Å; H27-H30 PolarHBondContact O-N 3.21Å; H27-C145 HydrophobicContact CB-CB 4.39Å; H27-Q147 HydrophobicContact CB-CB 4.18Å; H27-Q147 WeakPolarHBondContact ND1-CB 3.35Å; H27-T148 WeakPolarHBondContact CB-OG1 3.45Å; H27-Q803 PolarHBondContact CE1-NE2 3.11Å; H27-Q803 PolarHBondContact CE1-OE1 3.42Å; H27-Q803 PolarHBondContact ND1-NE2 3.45Å; H27-Q803 VanDerWaalsContact ND1-NE2 3.13Å; H27-Q803 PolarHBondContact ND1-OE1 3.04Å; H27-Q803 PolarHBondContact NE2-NE2 3.32Å | ||
| 28 | V | 81.9 | Confident | 90.5 | Very high | 24 Ų | 24 | 8.7 Ų | 8.7 | 15% | 0.145 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 143.4 | 174.4 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | H30 I68 G116 H117 | V28-H30 PolarHBondContact O-CD2 3.25Å; V28-H30 PolarHBondContact O-N 3.43Å; V28-I68 HydrophobicContact CG1-CG2 3.91Å; V28-G116 VanDerWaalsContact CG2-C 3.48Å; V28-G116 VanDerWaalsContact CG2-O 3.27Å; V28-G116 WeakPolarHBondContact CG2-O 3.43Å; V28-H117 HydrophobicContact CG2-CB 3.84Å |
| 29 | D | 81.1 | Confident | 90 | Very high | 77 Ų | 77 | 8.7 Ų | 8.7 | 41% | 0.412 | 5% | 0.052 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 8.8 | 178.5 | -64.1 | -31.8 | 0 | 0 | 0 | 116.8 | G31 K168 | D29-G31 PolarHBondContact O-N 3.06Å; D29-G31 VanDerWaalsContact O-N 3.11Å; D29-K168 WeakPolarHBondContact O-CE 3.36Å; D29-K168 PolarHBondContact O-NZ 3.41Å |
| 30 | H | 89 | Confident | 89.4 | Confident | 3 Ų | 3 | 8.7 Ų | 8.7 | 1% | 0.014 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -72.2 | 1.8 | 171.9 | -78.9 | -154.7 | 0 | 0 | 0 | 113.7 | A26 H27 V28 V137 D139 G143 N167 | A26-H30 HydrophobicContact CB-CB 4.02Å; H27-H30 AromaticContact CD2-CD2 3.71Å; H27-H30 AromaticContact CD2-NE2 3.57Å; H27-H30 AromaticContact CG-NE2 3.91Å; H27-H30 WeakPolarHBondContact O-CB 2.8Å; H27-H30 PolarHBondContact O-N 3.21Å; V28-H30 PolarHBondContact O-CD2 3.25Å; V28-H30 PolarHBondContact O-N 3.43Å; H30-V137 PolarHBondContact ND1-O 3.48Å; H30-V137 VanDerWaalsContact ND1-O 3.16Å; H30-V137 WeakPolarHBondContact O-CG1 3.3Å; H30-D139 HydrophobicContact CB-CB 4.48Å; H30-D139 PolarHBondContact ND1-N 3.31Å; H30-G143 PolarHBondContact CE1-O 3.34Å; H30-N167 PolarHBondContact O-ND2 2.99Å |
| 31 | G | 86.8 | Confident | 88.7 | Confident | 16 Ų | 16 | 9 Ų | 9 | 17% | 0.165 | 5% | 0.053 | C | C | . | . | S | Bend | trans | 81.4 | 29.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D29 L35 N167 | D29-G31 PolarHBondContact O-N 3.06Å; D29-G31 VanDerWaalsContact O-N 3.11Å; G31-L35 WeakPolarHBondContact O-CB 3.26Å; G31-L35 PolarHBondContact O-N 2.65Å; G31-N167 WeakPolarHBondContact CA-ND2 3.5Å; G31-N167 PolarHBondContact O-ND2 3.28Å |
| 32 | K | 89.8 | Confident | 87.9 | Confident | 13 Ų | 13 | 12.1 Ų | 12.1 | 6% | 0.057 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -56.2 | -60.6 | 178.4 | -179.5 | -165.2 | 55.7 | 61.9 | 0 | 113.4 | V24 A26 T34 L35 T36 T69 D113 S114 | V24-K32 HydrophobicContact CB-CG 4.02Å; V24-K32 HydrophobicContact CG1-CD 4.45Å; V24-K32 HydrophobicContact CG1-CG 3.57Å; A26-K32 HydrophobicContact CB-CB 3.92Å; A26-K32 HydrophobicContact CB-CD 4.4Å; A26-K32 HydrophobicContact CB-CG 4.31Å; K32-T34 VanDerWaalsContact C-N 3.28Å; K32-T34 PolarHBondContact O-N 3.41Å; K32-L35 WeakPolarHBondContact O-CA 3.36Å; K32-L35 WeakPolarHBondContact O-CB 3.35Å; K32-L35 PolarHBondContact O-N 2.71Å; K32-T36 PolarHBondContact O-N 2.97Å; K32-T36 PolarHBondContact O-OG1 3.29Å; K32-T69 PolarHBondContact NZ-OG1 2.67Å; K32-D113 VanDerWaalsContact CD-OD1 3.28Å; K32-D113 WeakPolarHBondContact CD-OD1 3.49Å; K32-D113 WeakPolarHBondContact CE-OD1 3.4Å; K32-D113 WeakPolarHBondContact CG-OD1 3.44Å; K32-D113 IonicContact NZ-OD1 3.92Å; K32-D113 PolarHBondContact NZ-OD1 3.13Å; K32-D113 IonicContact NZ-OD2 2.66Å; K32-D113 PolarHBondContact NZ-OD2 3.12Å; K32-S114 WeakPolarHBondContact CD-O 3.44Å; K32-S114 WeakPolarHBondContact CE-O 3.39Å; K32-S114 PolarHBondContact NZ-O 2.85Å |
| 33 | S | 86.6 | Confident | 87.1 | Confident | 9 Ų | 9 | 12.2 Ų | 12.2 | 6% | 0.063 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.6 | -37.5 | -177.4 | -43.2 | 0 | 0 | 0 | 0 | 111.8 | L35 T36 D37 D58 T69 | S33-L35 VanDerWaalsContact C-N 3.3Å; S33-L35 PolarHBondContact O-N 3.29Å; S33-T36 WeakPolarHBondContact O-CB 3.44Å; S33-T36 PolarHBondContact O-N 2.96Å; S33-D37 PolarHBondContact O-N 3.38Å; S33-D58 PolarHBondContact OG-OD1 3.02Å; S33-T69 PolarHBondContact OG-OG1 3.48Å |
| 34 | T | 87.8 | Confident | 86.1 | Confident | 13 Ų | 13 | 13 Ų | 13 | 8% | 0.08 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.7 | -37.7 | 172.7 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | K32 G225 L226 | K32-T34 VanDerWaalsContact C-N 3.28Å; K32-T34 PolarHBondContact O-N 3.41Å; T34-G225 VanDerWaalsContact CG2-C 3.49Å; T34-L226 VanDerWaalsContact CG2-CA 3.49Å; T34-L226 HydrophobicContact CG2-CB 4.03Å; T34-L226 HydrophobicContact CG2-CD1 4.3Å |
| 35 | L | 88.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -71.4 | -41.1 | 175.2 | -165.4 | 69.5 | 0 | 0 | 0 | 111.4 | G31 K32 S33 D37 S38 L135 V137 F165 L342 | G31-L35 WeakPolarHBondContact O-CB 3.26Å; G31-L35 PolarHBondContact O-N 2.65Å; K32-L35 WeakPolarHBondContact O-CA 3.36Å; K32-L35 WeakPolarHBondContact O-CB 3.35Å; K32-L35 PolarHBondContact O-N 2.71Å; S33-L35 VanDerWaalsContact C-N 3.3Å; S33-L35 PolarHBondContact O-N 3.29Å; L35-D37 VanDerWaalsContact C-N 3.28Å; L35-D37 PolarHBondContact O-N 3.46Å; L35-S38 WeakPolarHBondContact O-CB 3.47Å; L35-S38 PolarHBondContact O-N 3.17Å; L35-L135 HydrophobicContact CD2-CD2 3.91Å; L35-V137 HydrophobicContact CD2-CG1 4.16Å; L35-V137 HydrophobicContact CD2-CG2 3.57Å; L35-F165 HydrophobicContact CD1-CD1 3.8Å; L35-F165 HydrophobicContact CD1-CE1 3.37Å; L35-F165 HydrophobicContact CD1-CZ 3.89Å; L35-F165 HydrophobicContact CD2-CB 4.31Å; L35-F165 HydrophobicContact CD2-CD1 3.43Å; L35-F165 VanDerWaalsContact CD2-CD1 3.43Å; L35-F165 HydrophobicContact CD2-CE1 3.95Å; L35-F165 HydrophobicContact CD2-CG 3.94Å; L35-F165 HydrophobicContact CG-CD1 4.28Å; L35-F165 HydrophobicContact CG-CE1 4.32Å; L35-L342 HydrophobicContact CD1-CD1 3.61Å; L35-L342 HydrophobicContact CD1-CD2 4.27Å; L35-L342 HydrophobicContact CD2-CD1 4.49Å; L35-L342 HydrophobicContact CD2-CD2 4.19Å; L35-L342 HydrophobicContact CG-CD1 3.82Å; L35-L342 HydrophobicContact CG-CD2 4.39Å |
| 36 | T | 87.9 | Confident | 83.3 | Confident | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58 | -39.8 | 174.9 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | K32 S33 S38 L39 V40 T57 L111 D113 | K32-T36 PolarHBondContact O-N 2.97Å; K32-T36 PolarHBondContact O-OG1 3.29Å; S33-T36 WeakPolarHBondContact O-CB 3.44Å; S33-T36 PolarHBondContact O-N 2.96Å; T36-S38 PolarHBondContact O-N 3Å; T36-L39 WeakPolarHBondContact O-CB 3.41Å; T36-L39 PolarHBondContact O-N 3.16Å; T36-V40 HydrophobicContact CG2-CG2 4.25Å; T36-V40 WeakPolarHBondContact O-CG2 3.37Å; T36-V40 PolarHBondContact O-N 2.7Å; T36-T57 HydrophobicContact CG2-CG2 3.66Å; T36-L111 HydrophobicContact CG2-CD1 4.06Å; T36-L111 HydrophobicContact CG2-CD2 3.52Å; T36-L111 HydrophobicContact CG2-CG 4.48Å; T36-D113 HydrophobicContact CG2-CB 4.35Å |
| 37 | D | 85.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.4 | -38.2 | 173.8 | -76.2 | -15.2 | 0 | 0 | 0 | 112.6 | S33 L35 L39 V40 C41 I46 A54 R55 F56 | S33-D37 PolarHBondContact O-N 3.38Å; L35-D37 VanDerWaalsContact C-N 3.28Å; L35-D37 PolarHBondContact O-N 3.46Å; D37-L39 PolarHBondContact O-N 2.95Å; D37-V40 PolarHBondContact O-N 2.88Å; D37-C41 WeakPolarHBondContact O-CB 3.41Å; D37-C41 PolarHBondContact O-N 3.46Å; D37-I46 HydrophobicContact CB-CD1 4.01Å; D37-I46 WeakPolarHBondContact O-CD1 3.5Å; D37-A54 PolarHBondContact OD2-N 2.99Å; D37-R55 WeakPolarHBondContact OD1-CA 3.39Å; D37-R55 PolarHBondContact OD1-N 3.24Å; D37-R55 VanDerWaalsContact OD2-CA 3.3Å; D37-R55 WeakPolarHBondContact OD2-CA 3.46Å; D37-R55 PolarHBondContact OD2-N 2.91Å; D37-F56 PolarHBondContact OD1-N 3.38Å |
| 38 | S | 85.7 | Confident | 80.8 | Confident | 6 Ų | 6 | 22.8 Ų | 22.8 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.5 | -32.9 | 178.9 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | L35 T36 K42 | L35-S38 WeakPolarHBondContact O-CB 3.47Å; L35-S38 PolarHBondContact O-N 3.17Å; T36-S38 PolarHBondContact O-N 3Å; S38-K42 PolarHBondContact O-N 3.39Å |
| 39 | L | 87.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.6 | -48 | 174.8 | -66.4 | 171.1 | 0 | 0 | 0 | 111.5 | T36 D37 C41 K42 A43 L77 L111 L342 L343 I346 | T36-L39 WeakPolarHBondContact O-CB 3.41Å; T36-L39 PolarHBondContact O-N 3.16Å; D37-L39 PolarHBondContact O-N 2.95Å; L39-C41 PolarHBondContact O-N 3.46Å; L39-K42 PolarHBondContact O-N 3.18Å; L39-A43 PolarHBondContact O-N 3.3Å; L39-L77 HydrophobicContact CB-CD1 3.96Å; L39-L111 HydrophobicContact CB-CD1 4.46Å; L39-L111 HydrophobicContact CD1-CD1 3.43Å; L39-L111 VanDerWaalsContact CD1-CD1 3.43Å; L39-L342 HydrophobicContact CD2-CB 3.52Å; L39-L342 HydrophobicContact CD2-CD1 4.12Å; L39-L342 HydrophobicContact CD2-CG 4.49Å; L39-L342 HydrophobicContact CG-CB 4.39Å; L39-L342 HydrophobicContact CG-CD1 4.17Å; L39-L343 HydrophobicContact CD2-CD2 3.79Å; L39-L343 HydrophobicContact CD2-CG 3.68Å; L39-I346 HydrophobicContact CD1-CD1 4.07Å; L39-I346 HydrophobicContact CD2-CD1 4.11Å |
| 40 | V | 84.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.3 | -36.1 | 178.8 | 177.5 | 0 | 0 | 0 | 0 | 111 | T36 D37 G44 I45 I46 F56 I75 L77 | T36-V40 HydrophobicContact CG2-CG2 4.25Å; T36-V40 WeakPolarHBondContact O-CG2 3.37Å; T36-V40 PolarHBondContact O-N 2.7Å; D37-V40 PolarHBondContact O-N 2.88Å; V40-G44 PolarHBondContact O-N 3.03Å; V40-I45 HydrophobicContact CG1-CB 3.61Å; V40-I45 HydrophobicContact CG1-CD1 4.31Å; V40-I45 HydrophobicContact CG1-CG2 3.72Å; V40-I45 PolarHBondContact O-N 3.27Å; V40-I46 HydrophobicContact CB-CD1 4.39Å; V40-I46 HydrophobicContact CB-CG1 4.4Å; V40-I46 HydrophobicContact CG1-CB 4.45Å; V40-I46 HydrophobicContact CG1-CD1 4.35Å; V40-I46 HydrophobicContact CG1-CG1 4.05Å; V40-I46 HydrophobicContact CG1-CG2 3.86Å; V40-F56 HydrophobicContact CG1-CB 4.49Å; V40-F56 HydrophobicContact CG1-CD1 3.94Å; V40-F56 HydrophobicContact CG1-CE1 4.41Å; V40-F56 HydrophobicContact CG1-CG 4.21Å; V40-I75 HydrophobicContact CG2-CD1 4.08Å; V40-L77 HydrophobicContact CG2-CD2 4.44Å |
| 41 | C | 82.1 | Confident | 77 | Confident | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 175.7 | -164.1 | 0 | 0 | 0 | 0 | 112.2 | D37 L39 A43 G44 I46 D48 A51 | D37-C41 WeakPolarHBondContact O-CB 3.41Å; D37-C41 PolarHBondContact O-N 3.46Å; L39-C41 PolarHBondContact O-N 3.46Å; C41-A43 VanDerWaalsContact C-N 3.25Å; C41-A43 PolarHBondContact O-N 3.15Å; C41-G44 WeakPolarHBondContact O-CA 3.29Å; C41-G44 PolarHBondContact O-N 3.05Å; C41-I46 VanDerWaalsContact CA-CG1 3.45Å; C41-I46 HydrophobicContact CB-CD1 4.02Å; C41-I46 HydrophobicContact CB-CG1 3.71Å; C41-D48 WeakPolarHBondContact SG-CA 3.08Å; C41-D48 PolarHBondContact SG-OD1 3.25Å; C41-A51 HydrophobicContact CB-CB 3.88Å |
| 42 | K | 82 | Confident | 75.6 | Confident | 67 Ų | 67 | 30.3 Ų | 30.3 | 29% | 0.291 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.1 | -36.5 | -179.1 | -174.5 | 68 | -164.5 | -156.2 | 0 | 112.2 | K3 S38 L39 G44 D340 L343 | K3-K42 PolarHBondContact NZ-O 3.29Å; K3-K42 VanDerWaalsContact NZ-O 3.16Å; S38-K42 PolarHBondContact O-N 3.39Å; L39-K42 PolarHBondContact O-N 3.18Å; K42-G44 PolarHBondContact O-N 3.21Å; K42-D340 VanDerWaalsContact CD-OD1 3.3Å; K42-D340 WeakPolarHBondContact CD-OD1 3.48Å; K42-D340 WeakPolarHBondContact CE-OD1 3.11Å; K42-D340 IonicContact NZ-OD1 2.87Å; K42-D340 PolarHBondContact NZ-OD1 3.45Å; K42-D340 IonicContact NZ-OD2 2.71Å; K42-D340 PolarHBondContact NZ-OD2 2.88Å; K42-L343 HydrophobicContact CB-CD1 4.07Å; K42-L343 HydrophobicContact CG-CD1 3.75Å |
| 43 | A | 79.5 | Confident | 74.1 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -9.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K3 F4 L39 C41 I45 L77 | K3-A43 PolarHBondContact N-O 3.02Å; F4-A43 HydrophobicContact CE1-CB 4.4Å; L39-A43 PolarHBondContact O-N 3.3Å; C41-A43 VanDerWaalsContact C-N 3.25Å; C41-A43 PolarHBondContact O-N 3.15Å; A43-I45 HydrophobicContact CB-CD1 4.32Å; A43-I45 HydrophobicContact CB-CG1 4.34Å; A43-L77 HydrophobicContact CB-CB 4.13Å; A43-L77 HydrophobicContact CB-CD2 3.77Å; A43-L77 HydrophobicContact CB-CG 4.46Å |
| 44 | G | 73.8 | Confident | 72.7 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 12.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1 V2 V40 C41 K42 | M1-G44 CarbonylContact C-O 3.5Å; V2-G44 WeakPolarHBondContact CA-O 3.39Å; V2-G44 PolarHBondContact N-O 3.43Å; V40-G44 PolarHBondContact O-N 3.03Å; C41-G44 WeakPolarHBondContact O-CA 3.29Å; C41-G44 PolarHBondContact O-N 3.05Å; K42-G44 PolarHBondContact O-N 3.21Å |
| 45 | I | 69.2 | Low | 71.8 | Confident | 39 Ų | 39 | 38.4 Ų | 38.4 | 20% | 0.2 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -75.4 | -39.2 | 179 | -62.2 | 171.6 | 0 | 0 | 0 | 110.5 | V2 F4 V40 A43 F56 I75 L77 M446 | V2-I45 HydrophobicContact CG1-CG1 4.11Å; F4-I45 HydrophobicContact CE1-CD1 4.27Å; F4-I45 HydrophobicContact CE1-CG1 4.18Å; F4-I45 HydrophobicContact CZ-CD1 4.09Å; F4-I45 HydrophobicContact CZ-CG1 4.19Å; V40-I45 HydrophobicContact CG1-CB 3.61Å; V40-I45 HydrophobicContact CG1-CD1 4.31Å; V40-I45 HydrophobicContact CG1-CG2 3.72Å; V40-I45 PolarHBondContact O-N 3.27Å; A43-I45 HydrophobicContact CB-CD1 4.32Å; A43-I45 HydrophobicContact CB-CG1 4.34Å; I45-F56 HydrophobicContact CG2-CE1 4.06Å; I45-F56 HydrophobicContact CG2-CE2 4.32Å; I45-F56 HydrophobicContact CG2-CZ 3.82Å; I45-I75 HydrophobicContact CD1-CG2 3.87Å; I45-L77 HydrophobicContact CD1-CD2 3.62Å; I45-M446 HydrophobicContact CD1-CE 4.14Å |
| 46 | I | 63.2 | Low | 70.7 | Confident | 20 Ų | 20 | 40.4 Ų | 40.4 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -112.4 | 154.8 | 171.7 | 64.7 | 175.3 | 0 | 0 | 0 | 110.9 | D37 V40 C41 A54 F56 | D37-I46 HydrophobicContact CB-CD1 4.01Å; D37-I46 WeakPolarHBondContact O-CD1 3.5Å; V40-I46 HydrophobicContact CB-CD1 4.39Å; V40-I46 HydrophobicContact CB-CG1 4.4Å; V40-I46 HydrophobicContact CG1-CB 4.45Å; V40-I46 HydrophobicContact CG1-CD1 4.35Å; V40-I46 HydrophobicContact CG1-CG1 4.05Å; V40-I46 HydrophobicContact CG1-CG2 3.86Å; C41-I46 VanDerWaalsContact CA-CG1 3.45Å; C41-I46 HydrophobicContact CB-CD1 4.02Å; C41-I46 HydrophobicContact CB-CG1 3.71Å; I46-A54 HydrophobicContact CD1-CB 4.42Å; I46-F56 HydrophobicContact CG2-CB 4.07Å; I46-F56 HydrophobicContact CG2-CD2 3.51Å; I46-F56 HydrophobicContact CG2-CE2 4.12Å; I46-F56 HydrophobicContact CG2-CG 3.87Å |
| 47 | A | 62.3 | Low | 70.1 | Confident | 57 Ų | 57 | 40.4 Ų | 40.4 | 47% | 0.471 | 22% | 0.219 | S | C | . | . | trans | -74.2 | 144.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S49 R50 A51 | A47-S49 PolarHBondContact O-N 3.16Å; A47-S49 VanDerWaalsContact O-N 3.15Å; A47-R50 PolarHBondContact O-N 2.87Å; A47-A51 PolarHBondContact O-N 2.76Å | ||
| 48 | D | 60.9 | Low | 69.6 | Low | 110 Ų | 110 | 40.4 Ų | 40.4 | 59% | 0.588 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -52.9 | -37.3 | 180 | -65.4 | -22.8 | 0 | 0 | 0 | 113.3 | C41 R50 A51 | C41-D48 WeakPolarHBondContact SG-CA 3.08Å; C41-D48 PolarHBondContact SG-OD1 3.25Å; D48-R50 PolarHBondContact O-N 2.65Å; D48-A51 PolarHBondContact O-N 2.87Å |
| 49 | S | 57.5 | Low | 68.9 | Low | 104 Ų | 104 | 42.6 Ų | 42.6 | 73% | 0.727 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -68.6 | -14 | 179 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | A47 | A47-S49 PolarHBondContact O-N 3.16Å; A47-S49 VanDerWaalsContact O-N 3.15Å |
| 50 | R | 59.2 | Low | 68.3 | Low | 171 Ų | 171 | 44.7 Ų | 44.7 | 65% | 0.645 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -105 | -5.5 | 179.4 | -63.9 | -167.3 | 178 | -172.9 | -0.1 | 112.9 | A47 D48 G52 D53 A54 | A47-R50 PolarHBondContact O-N 2.87Å; D48-R50 PolarHBondContact O-N 2.65Å; R50-G52 PolarHBondContact O-N 3.05Å; R50-D53 PolarHBondContact O-N 3.03Å; R50-A54 HydrophobicContact CB-CB 4.18Å; R50-A54 VanDerWaalsContact O-CB 3.26Å; R50-A54 WeakPolarHBondContact O-CB 3.48Å; R50-A54 PolarHBondContact O-N 2.79Å |
| 51 | A | 55.7 | Low | 67.9 | Low | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 129.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C41 A47 D48 D53 K329 | C41-A51 HydrophobicContact CB-CB 3.88Å; A47-A51 PolarHBondContact O-N 2.76Å; D48-A51 PolarHBondContact O-N 2.87Å; A51-D53 VanDerWaalsContact C-N 3.32Å; A51-K329 PolarHBondContact O-NZ 3.47Å |
| 52 | G | 57.3 | Low | 67.6 | Low | 3 Ų | 3 | 51.4 Ų | 51.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | -25.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R50 | R50-G52 PolarHBondContact O-N 3.05Š|
| 53 | D | 59.8 | Low | 67.5 | Low | 114 Ų | 114 | 48.2 Ų | 48.2 | 61% | 0.61 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -24 | 179.9 | -61.8 | -40.5 | 0 | 0 | 0 | 112.8 | R50 A51 | R50-D53 PolarHBondContact O-N 3.03Å; A51-D53 VanDerWaalsContact C-N 3.32Å |
| 54 | A | 57.6 | Low | 67.2 | Low | 34 Ų | 34 | 52.2 Ų | 52.2 | 28% | 0.281 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -69.3 | -34.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D37 I46 R50 F56 | D37-A54 PolarHBondContact OD2-N 2.99Å; I46-A54 HydrophobicContact CD1-CB 4.42Å; R50-A54 HydrophobicContact CB-CB 4.18Å; R50-A54 VanDerWaalsContact O-CB 3.26Å; R50-A54 WeakPolarHBondContact O-CB 3.48Å; R50-A54 PolarHBondContact O-N 2.79Å; A54-F56 VanDerWaalsContact C-N 3.28Å; A54-F56 PolarHBondContact O-N 3.28Å |
| 55 | R | 67.8 | Low | 67.1 | Low | 57 Ų | 57 | 57.1 Ų | 57.1 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | trans | 41.8 | 57.5 | -169 | -61.5 | 179.7 | 173.6 | -136.8 | 6.4 | 110.9 | D37 T57 D58 C67 | D37-R55 WeakPolarHBondContact OD1-CA 3.39Å; D37-R55 PolarHBondContact OD1-N 3.24Å; D37-R55 VanDerWaalsContact OD2-CA 3.3Å; D37-R55 WeakPolarHBondContact OD2-CA 3.46Å; D37-R55 PolarHBondContact OD2-N 2.91Å; R55-T57 PolarHBondContact O-N 3.09Å; R55-T57 VanDerWaalsContact O-N 3.1Å; R55-D58 HydrophobicContact CB-CB 4.03Å; R55-D58 WeakPolarHBondContact CD-OD2 3.19Å; R55-D58 IonicContact NH1-OD2 3.71Å; R55-D58 WeakPolarHBondContact O-CA 3.19Å; R55-D58 WeakPolarHBondContact O-CB 3.47Å; R55-D58 PolarHBondContact O-N 3.12Å; R55-C67 VanDerWaalsContact NH1-CB 3.32Å; R55-C67 PolarHBondContact NH1-O 2.76Å | ||
| 56 | F | 66.1 | Low | 67.2 | Low | 42 Ų | 42 | 59.6 Ų | 59.6 | 18% | 0.184 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -34.1 | -166.5 | 179.7 | -97.9 | 0 | 0 | 0 | 113.3 | D37 V40 I45 I46 A54 D58 I75 | D37-F56 PolarHBondContact OD1-N 3.38Å; V40-F56 HydrophobicContact CG1-CB 4.49Å; V40-F56 HydrophobicContact CG1-CD1 3.94Å; V40-F56 HydrophobicContact CG1-CE1 4.41Å; V40-F56 HydrophobicContact CG1-CG 4.21Å; I45-F56 HydrophobicContact CG2-CE1 4.06Å; I45-F56 HydrophobicContact CG2-CE2 4.32Å; I45-F56 HydrophobicContact CG2-CZ 3.82Å; I46-F56 HydrophobicContact CG2-CB 4.07Å; I46-F56 HydrophobicContact CG2-CD2 3.51Å; I46-F56 HydrophobicContact CG2-CE2 4.12Å; I46-F56 HydrophobicContact CG2-CG 3.87Å; A54-F56 VanDerWaalsContact C-N 3.28Å; A54-F56 PolarHBondContact O-N 3.28Å; F56-D58 VanDerWaalsContact C-N 3.35Å; F56-I75 HydrophobicContact CD1-CD1 3.59Å; F56-I75 HydrophobicContact CE1-CD1 3.68Å |
| 57 | T | 74.5 | Confident | 67.5 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -20.5 | 178 | 48.2 | 0 | 0 | 0 | 0 | 114.2 | T36 R55 T59 T73 I75 D113 | T36-T57 HydrophobicContact CG2-CG2 3.66Å; R55-T57 PolarHBondContact O-N 3.09Å; R55-T57 VanDerWaalsContact O-N 3.1Å; T57-T59 VanDerWaalsContact C-N 3.29Å; T57-T59 PolarHBondContact O-N 3.13Å; T57-T73 PolarHBondContact O-OG1 3.38Å; T57-I75 HydrophobicContact CG2-CD1 3.55Å; T57-D113 WeakPolarHBondContact CB-OD2 3.07Å; T57-D113 HydrophobicContact CG2-CB 3.86Å; T57-D113 PolarHBondContact OG1-OD2 3.4Å |
| 58 | D | 75 | Confident | 67.9 | Low | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -80 | 82.9 | 171.9 | -65.3 | -15 | 0 | 0 | 0 | 107.5 | S33 R55 F56 R60 E63 Q64 T69 R448 | S33-D58 PolarHBondContact OG-OD1 3.02Å; R55-D58 HydrophobicContact CB-CB 4.03Å; R55-D58 WeakPolarHBondContact CD-OD2 3.19Å; R55-D58 IonicContact NH1-OD2 3.71Å; R55-D58 WeakPolarHBondContact O-CA 3.19Å; R55-D58 WeakPolarHBondContact O-CB 3.47Å; R55-D58 PolarHBondContact O-N 3.12Å; F56-D58 VanDerWaalsContact C-N 3.35Å; D58-R60 VanDerWaalsContact C-N 3.34Å; D58-E63 WeakPolarHBondContact CA-OE2 3.33Å; D58-E63 HydrophobicContact CB-CB 3.8Å; D58-Q64 HydrophobicContact CB-CG 4.39Å; D58-Q64 PolarHBondContact O-NE2 2.83Å; D58-T69 PolarHBondContact OD1-OG1 2.7Å; D58-R448 PolarHBondContact O-NH2 2.83Å | ||
| 59 | T | 71 | Confident | 68.5 | Low | 53 Ų | 53 | 54.6 Ų | 54.6 | 33% | 0.325 | 27% | 0.269 | S | S | . | . | trans | -78.5 | -21.9 | -174.1 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | T57 E63 T73 R448 | T57-T59 VanDerWaalsContact C-N 3.29Å; T57-T59 PolarHBondContact O-N 3.13Å; T59-E63 PolarHBondContact N-OE2 3.37Å; T59-T73 HydrophobicContact CG2-CG2 4.31Å; T59-R448 HydrophobicContact CG2-CG 3.52Å | ||
| 60 | R | 75.8 | Confident | 68.9 | Low | 43 Ų | 43 | 49.7 Ų | 49.7 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -92.4 | 153 | -176.2 | -53 | 169.5 | 50.7 | 105.4 | 4.9 | 111.9 | D58 D62 E63 Q64 D552 | D58-R60 VanDerWaalsContact C-N 3.34Å; R60-D62 WeakPolarHBondContact CB-OD1 3.34Å; R60-D62 IonicContact CZ-OD1 2.71Å; R60-D62 IonicContact CZ-OD2 3.23Å; R60-D62 IonicContact NE-OD1 4Å; R60-D62 PolarHBondContact NE-OD1 3.25Å; R60-D62 IonicContact NE-OD2 3.76Å; R60-D62 IonicContact NH2-OD1 3.54Å; R60-D62 IonicContact NH2-OD2 2.78Å; R60-D62 PolarHBondContact NH2-OD2 3.17Å; R60-E63 HydrophobicContact CB-CB 4.25Å; R60-E63 HydrophobicContact CB-CG 3.86Å; R60-E63 WeakPolarHBondContact CB-OE2 3.42Å; R60-E63 HydrophobicContact CG-CG 4.32Å; R60-E63 WeakPolarHBondContact CG-OE2 3.47Å; R60-E63 PolarHBondContact N-OE2 3.1Å; R60-E63 PolarHBondContact O-N 3.11Å; R60-Q64 WeakPolarHBondContact O-CG 3.4Å; R60-Q64 PolarHBondContact O-N 3.19Å; R60-D552 IonicContact CZ-OD1 2.64Å; R60-D552 IonicContact CZ-OD2 2.77Å; R60-D552 VanDerWaalsContact NH1-CG 3.34Å; R60-D552 IonicContact NH1-OD1 2.97Å; R60-D552 PolarHBondContact NH1-OD1 3.26Å; R60-D552 VanDerWaalsContact NH1-OD1 3.14Å; R60-D552 IonicContact NH1-OD2 3.44Å; R60-D552 PolarHBondContact NH1-OD2 3.21Å; R60-D552 IonicContact NH2-OD1 3.94Å; R60-D552 PolarHBondContact NH2-OD1 2.95Å; R60-D552 IonicContact NH2-OD2 3.19Å |
| 61 | K | 76 | Confident | 69.8 | Low | 144 Ų | 144 | 42.9 Ų | 42.9 | 63% | 0.626 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -67.7 | -39 | 179.6 | -166.2 | -171.7 | -179.6 | -150.9 | 0 | 112.4 | Q64 E65 | K61-Q64 PolarHBondContact O-N 3.11Å; K61-E65 WeakPolarHBondContact CE-OE1 3.16Å; K61-E65 IonicContact NZ-OE1 3.55Å; K61-E65 PolarHBondContact NZ-OE1 3.46Å; K61-E65 WeakPolarHBondContact O-CB 3.42Å; K61-E65 VanDerWaalsContact O-CG 3.3Å; K61-E65 WeakPolarHBondContact O-CG 3.24Å; K61-E65 PolarHBondContact O-N 3.26Å |
| 62 | D | 76.1 | Confident | 70.8 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.3 | -35.3 | 176.6 | 39.6 | 24.3 | 0 | 0 | 0 | 113.1 | R60 Q64 E65 R66 I70 K551 | R60-D62 WeakPolarHBondContact CB-OD1 3.34Å; R60-D62 IonicContact CZ-OD1 2.71Å; R60-D62 IonicContact CZ-OD2 3.23Å; R60-D62 IonicContact NE-OD1 4Å; R60-D62 PolarHBondContact NE-OD1 3.25Å; R60-D62 IonicContact NE-OD2 3.76Å; R60-D62 IonicContact NH2-OD1 3.54Å; R60-D62 IonicContact NH2-OD2 2.78Å; R60-D62 PolarHBondContact NH2-OD2 3.17Å; D62-Q64 VanDerWaalsContact C-N 3.28Å; D62-Q64 PolarHBondContact O-N 3.45Å; D62-E65 PolarHBondContact O-N 3.15Å; D62-R66 VanDerWaalsContact O-CB 3.24Å; D62-R66 WeakPolarHBondContact O-CB 3.25Å; D62-R66 WeakPolarHBondContact O-CG 3.38Å; D62-R66 PolarHBondContact O-N 3.13Å; D62-I70 HydrophobicContact CB-CD1 4.33Å; D62-K551 IonicContact OD2-NZ 2.63Å; D62-K551 PolarHBondContact OD2-NZ 3.39Å |
| 63 | E | 78.4 | Confident | 72 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 172 | -68.3 | 176.9 | 144 | 0 | 0 | 110.9 | D58 T59 R60 C67 I68 I70 K71 | D58-E63 WeakPolarHBondContact CA-OE2 3.33Å; D58-E63 HydrophobicContact CB-CB 3.8Å; T59-E63 PolarHBondContact N-OE2 3.37Å; R60-E63 HydrophobicContact CB-CB 4.25Å; R60-E63 HydrophobicContact CB-CG 3.86Å; R60-E63 WeakPolarHBondContact CB-OE2 3.42Å; R60-E63 HydrophobicContact CG-CG 4.32Å; R60-E63 WeakPolarHBondContact CG-OE2 3.47Å; R60-E63 PolarHBondContact N-OE2 3.1Å; R60-E63 PolarHBondContact O-N 3.11Å; E63-C67 VanDerWaalsContact O-CA 3.23Å; E63-C67 WeakPolarHBondContact O-CA 3.41Å; E63-C67 PolarHBondContact O-N 3.18Å; E63-I68 WeakPolarHBondContact CA-O 3.49Å; E63-I68 VanDerWaalsContact CB-O 3.25Å; E63-I68 WeakPolarHBondContact CB-O 3.18Å; E63-I68 WeakPolarHBondContact CG-O 3.45Å; E63-I68 PolarHBondContact O-N 2.96Å; E63-I70 HydrophobicContact CG-CB 3.82Å; E63-I70 HydrophobicContact CG-CD1 3.78Å; E63-I70 HydrophobicContact CG-CG1 3.82Å; E63-I70 WeakPolarHBondContact OE1-CA 3.26Å; E63-I70 PolarHBondContact OE1-N 2.85Å; E63-K71 PolarHBondContact OE1-N 2.86Å |
| 64 | Q | 73.1 | Confident | 73.3 | Confident | 86 Ų | 86 | 38.8 Ų | 38.8 | 40% | 0.402 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.4 | -44.6 | 176.8 | -67.4 | 167 | 18.2 | 0 | 0 | 112.2 | D58 R60 K61 D62 | D58-Q64 HydrophobicContact CB-CG 4.39Å; D58-Q64 PolarHBondContact O-NE2 2.83Å; R60-Q64 WeakPolarHBondContact O-CG 3.4Å; R60-Q64 PolarHBondContact O-N 3.19Å; K61-Q64 PolarHBondContact O-N 3.11Å; D62-Q64 VanDerWaalsContact C-N 3.28Å; D62-Q64 PolarHBondContact O-N 3.45Å |
| 65 | E | 72.4 | Confident | 74.8 | Confident | 119 Ų | 119 | 37.2 Ų | 37.2 | 56% | 0.556 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -65.3 | -41.8 | 178.9 | -74.4 | 170.8 | -176.4 | 0 | 0 | 112.4 | K61 D62 | K61-E65 WeakPolarHBondContact CE-OE1 3.16Å; K61-E65 IonicContact NZ-OE1 3.55Å; K61-E65 PolarHBondContact NZ-OE1 3.46Å; K61-E65 WeakPolarHBondContact O-CB 3.42Å; K61-E65 VanDerWaalsContact O-CG 3.3Å; K61-E65 WeakPolarHBondContact O-CG 3.24Å; K61-E65 PolarHBondContact O-N 3.26Å; D62-E65 PolarHBondContact O-N 3.15Å |
| 66 | R | 70.4 | Confident | 75.8 | Confident | 90 Ų | 90 | 34.6 Ų | 34.6 | 34% | 0.34 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -88.5 | -10.6 | -178.4 | -63.5 | 179.2 | -173.9 | -132.9 | -9 | 113.2 | D62 I68 E547 | D62-R66 VanDerWaalsContact O-CB 3.24Å; D62-R66 WeakPolarHBondContact O-CB 3.25Å; D62-R66 WeakPolarHBondContact O-CG 3.38Å; D62-R66 PolarHBondContact O-N 3.13Å; R66-I68 HydrophobicContact CB-CD1 4.25Å; R66-I68 HydrophobicContact CB-CG1 3.81Å; R66-I68 PolarHBondContact O-N 3.16Å; R66-E547 IonicContact CZ-OE1 3.55Å; R66-E547 IonicContact CZ-OE2 3.26Å; R66-E547 IonicContact NH1-OE1 2.95Å; R66-E547 IonicContact NH1-OE2 3.04Å; R66-E547 PolarHBondContact NH1-OE2 3.42Å; R66-E547 IonicContact NH2-OE1 3.32Å; R66-E547 PolarHBondContact NH2-OE1 3.15Å; R66-E547 IonicContact NH2-OE2 2.78Å; R66-E547 PolarHBondContact NH2-OE2 2.84Å; R66-E547 VanDerWaalsContact NH2-OE2 3.12Å |
| 67 | C | 69.8 | Low | 77 | Confident | 55 Ų | 55 | 32.6 Ų | 32.6 | 37% | 0.372 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 29.9 | -175.7 | -71.5 | 0 | 0 | 0 | 0 | 114.3 | R55 E63 | R55-C67 VanDerWaalsContact NH1-CB 3.32Å; R55-C67 PolarHBondContact NH1-O 2.76Å; E63-C67 VanDerWaalsContact O-CA 3.23Å; E63-C67 WeakPolarHBondContact O-CA 3.41Å; E63-C67 PolarHBondContact O-N 3.18Å |
| 68 | I | 71 | Confident | 77.8 | Confident | 25 Ų | 25 | 35.1 Ų | 35.1 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -127.6 | 143.1 | 177.1 | 62 | 176.2 | 0 | 0 | 0 | 110.6 | V28 E63 R66 I70 L544 | V28-I68 HydrophobicContact CG1-CG2 3.91Å; E63-I68 WeakPolarHBondContact CA-O 3.49Å; E63-I68 VanDerWaalsContact CB-O 3.25Å; E63-I68 WeakPolarHBondContact CB-O 3.18Å; E63-I68 WeakPolarHBondContact CG-O 3.45Å; E63-I68 PolarHBondContact O-N 2.96Å; R66-I68 HydrophobicContact CB-CD1 4.25Å; R66-I68 HydrophobicContact CB-CG1 3.81Å; R66-I68 PolarHBondContact O-N 3.16Å; I68-I70 HydrophobicContact CD1-CG1 4.46Å; I68-I70 HydrophobicContact CG1-CG1 4.26Å; I68-L544 HydrophobicContact CD1-CD2 4.2Å |
| 69 | T | 74.6 | Confident | 78.6 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | trans | -79.7 | 129.6 | 169.8 | -52 | 0 | 0 | 0 | 0 | 109.4 | K32 S33 D58 K71 P115 | K32-T69 PolarHBondContact NZ-OG1 2.67Å; S33-T69 PolarHBondContact OG-OG1 3.48Å; D58-T69 PolarHBondContact OD1-OG1 2.7Å; T69-K71 WeakPolarHBondContact CG2-O 3.14Å; T69-P115 WeakPolarHBondContact O-CA 3.49Å; T69-P115 VanDerWaalsContact O-CB 3.28Å; T69-P115 WeakPolarHBondContact O-CB 3.48Å | ||
| 70 | I | 65.7 | Low | 79.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -107.8 | -42.3 | -177.1 | -67.2 | 167.2 | 0 | 0 | 0 | 109.8 | D62 E63 I68 P115 F120 I548 | D62-I70 HydrophobicContact CB-CD1 4.33Å; E63-I70 HydrophobicContact CG-CB 3.82Å; E63-I70 HydrophobicContact CG-CD1 3.78Å; E63-I70 HydrophobicContact CG-CG1 3.82Å; E63-I70 WeakPolarHBondContact OE1-CA 3.26Å; E63-I70 PolarHBondContact OE1-N 2.85Å; I68-I70 HydrophobicContact CD1-CG1 4.46Å; I68-I70 HydrophobicContact CG1-CG1 4.26Å; I70-P115 VanDerWaalsContact O-CG 3.29Å; I70-P115 WeakPolarHBondContact O-CG 3.48Å; I70-F120 HydrophobicContact CG1-CE2 4.22Å; I70-F120 HydrophobicContact CG1-CZ 4.45Å; I70-F120 HydrophobicContact CG2-CD1 4.18Å; I70-F120 HydrophobicContact CG2-CE1 3.9Å; I70-F120 HydrophobicContact CG2-CE2 4.45Å; I70-F120 HydrophobicContact CG2-CZ 4.09Å; I70-I548 HydrophobicContact CD1-CD1 3.41Å; I70-I548 VanDerWaalsContact CD1-CD1 3.41Å; I70-I548 HydrophobicContact CD1-CG1 4.08Å; I70-I548 HydrophobicContact CG1-CD1 3.89Å; I70-I548 HydrophobicContact CG2-CD1 4.16Å; I70-I548 HydrophobicContact CG2-CG2 3.89Å | ||
| 71 | K | 77.6 | Confident | 80.2 | Confident | 29 Ų | 29 | 37.6 Ų | 37.6 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -114.2 | 137.8 | -179.6 | -68.4 | -59.9 | -171.4 | 179.7 | 0 | 110.9 | E63 T69 T73 E123 S522 D523 | E63-K71 PolarHBondContact OE1-N 2.86Å; T69-K71 WeakPolarHBondContact CG2-O 3.14Å; K71-T73 PolarHBondContact O-N 3.11Å; K71-E123 HydrophobicContact CD-CG 4.41Å; K71-E123 WeakPolarHBondContact CD-OE1 3.37Å; K71-E123 IonicContact NZ-OE1 2.74Å; K71-E123 PolarHBondContact NZ-OE1 2.87Å; K71-S522 PolarHBondContact NZ-O 3.07Å; K71-D523 IonicContact NZ-OD2 3.31Å; K71-D523 PolarHBondContact NZ-OD2 2.95Å |
| 72 | S | 76.8 | Confident | 80.9 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | trans | -69.6 | 123 | 179.1 | -65.5 | 0 | 0 | 0 | 0 | 111.1 | D113 P115 E123 K392 | S72-D113 WeakPolarHBondContact CA-O 3.27Å; S72-P115 WeakPolarHBondContact OG-CD 3.49Å; S72-E123 PolarHBondContact N-OE2 2.89Å; S72-E123 VanDerWaalsContact N-OE2 3.16Å; S72-E123 PolarHBondContact OG-O 2.83Å; S72-K392 PolarHBondContact O-NZ 3.21Å | ||
| 73 | T | 81.9 | Confident | 81.6 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.4 | -179 | -61.8 | 0 | 0 | 0 | 0 | 110.2 | T57 T59 K71 I75 I112 D113 | T57-T73 PolarHBondContact O-OG1 3.38Å; T59-T73 HydrophobicContact CG2-CG2 4.31Å; K71-T73 PolarHBondContact O-N 3.11Å; T73-I75 HydrophobicContact CG2-CG1 4.42Å; T73-I112 WeakPolarHBondContact O-CA 3.44Å; T73-D113 PolarHBondContact N-O 3.37Å; T73-D113 PolarHBondContact O-N 2.88Å |
| 74 | A | 86.9 | Confident | 82 | Confident | 10 Ų | 10 | 43.8 Ų | 43.8 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 135.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | L111 I112 F405 M445 G447 I461 | A74-L111 CarbonylContact C-O 3.55Å; A74-L111 WeakPolarHBondContact CA-O 3.42Å; A74-I112 HydrophobicContact CB-CG1 4.17Å; A74-F405 HydrophobicContact CB-CE2 3.82Å; A74-F405 HydrophobicContact CB-CZ 3.63Å; A74-M445 HydrophobicContact CB-CB 4.1Å; A74-G447 PolarHBondContact O-N 3.16Å; A74-I461 HydrophobicContact CB-CD1 4.14Å |
| 75 | I | 89.2 | Confident | 82.8 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 136.7 | 177.3 | -54.8 | 175.5 | 0 | 0 | 0 | 108.9 | V40 I45 F56 T57 T73 L77 L111 M446 | V40-I75 HydrophobicContact CG2-CD1 4.08Å; I45-I75 HydrophobicContact CD1-CG2 3.87Å; F56-I75 HydrophobicContact CD1-CD1 3.59Å; F56-I75 HydrophobicContact CE1-CD1 3.68Å; T57-I75 HydrophobicContact CG2-CD1 3.55Å; T73-I75 HydrophobicContact CG2-CG1 4.42Å; I75-L77 HydrophobicContact CG2-CD2 3.79Å; I75-L111 PolarHBondContact N-O 3.01Å; I75-L111 PolarHBondContact O-N 3.33Å; I75-M446 HydrophobicContact CG2-CE 4.48Å |
| 76 | S | 89.9 | Confident | 83.7 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 132 | 170.4 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | I109 N110 L444 | S76-I109 CarbonylContact C-O 3.58Å; S76-I109 WeakPolarHBondContact CA-O 3.26Å; S76-N110 PolarHBondContact OG-OD1 2.96Å; S76-L444 WeakPolarHBondContact OG-CD1 3.19Å |
| 77 | L | 90.7 | Very high | 84.7 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 141.4 | 179.2 | -47.4 | 175.4 | 0 | 0 | 0 | 109.5 | L39 V40 A43 I45 I75 I109 L111 | L39-L77 HydrophobicContact CB-CD1 3.96Å; V40-L77 HydrophobicContact CG2-CD2 4.44Å; A43-L77 HydrophobicContact CB-CB 4.13Å; A43-L77 HydrophobicContact CB-CD2 3.77Å; A43-L77 HydrophobicContact CB-CG 4.46Å; I45-L77 HydrophobicContact CD1-CD2 3.62Å; I75-L77 HydrophobicContact CG2-CD2 3.79Å; L77-I109 HydrophobicContact CB-CB 4.25Å; L77-I109 PolarHBondContact N-O 3.38Å; L77-I109 PolarHBondContact O-N 3.48Å; L77-L111 HydrophobicContact CD1-CD1 4.47Å |
| 78 | Y | 91.1 | Very high | 85.8 | Confident | 52 Ų | 52 | 33.6 Ų | 33.6 | 20% | 0.204 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.4 | 168.7 | 178.1 | -103 | 0 | 0 | 0 | 110.1 | F4 M12 E80 F107 | F4-Y78 HydrophobicContact CB-CD1 4.33Å; F4-Y78 HydrophobicContact CB-CG 4.27Å; M12-Y78 HydrophobicContact CG-CD2 4.05Å; M12-Y78 HydrophobicContact CG-CE2 3.97Å; M12-Y78 HydrophobicContact SD-CE2 4.06Å; Y78-E80 HydrophobicContact CE1-CB 4.31Å; Y78-F107 WeakPolarHBondContact CA-O 3.33Å |
| 79 | Y | 91.5 | Very high | 86.8 | Confident | 23 Ų | 23 | 32.4 Ų | 32.4 | 9% | 0.09 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 129.8 | 175.7 | -178.3 | -119.4 | 0 | 0 | 0 | 110.8 | M81 G106 F107 L343 | Y79-M81 HydrophobicContact CD1-CG 3.75Å; Y79-M81 HydrophobicContact CE1-CG 3.59Å; Y79-G106 CarbonylContact O-C 3.52Å; Y79-F107 PolarHBondContact N-O 2.83Å; Y79-F107 PolarHBondContact O-N 3.4Å; Y79-L343 HydrophobicContact CD1-CB 3.77Å; Y79-L343 HydrophobicContact CD1-CD1 4.43Å; Y79-L343 HydrophobicContact CD2-CB 4.2Å; Y79-L343 HydrophobicContact CD2-CD1 3.47Å; Y79-L343 VanDerWaalsContact CD2-CD1 3.47Å; Y79-L343 HydrophobicContact CD2-CG 4.4Å; Y79-L343 HydrophobicContact CE1-CB 3.78Å; Y79-L343 HydrophobicContact CE2-CB 4.22Å; Y79-L343 HydrophobicContact CE2-CD1 3.92Å; Y79-L343 HydrophobicContact CG-CB 3.98Å; Y79-L343 HydrophobicContact CG-CD1 3.76Å; Y79-L343 HydrophobicContact CG-CG 4.31Å |
| 80 | E | 91.1 | Very high | 87.7 | Confident | 121 Ų | 121 | 36.1 Ų | 36.1 | 57% | 0.565 | 18% | 0.182 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.1 | 176 | -168.7 | 176.5 | 163.5 | 0 | 0 | 109.8 | Y78 K105 | Y78-E80 HydrophobicContact CE1-CB 4.31Å; E80-K105 HydrophobicContact CG-CB 4.18Å |
| 81 | M | 90.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -90.6 | 150.5 | -177 | -70.1 | -176.5 | 70.3 | 0 | 0 | 112.2 | Y79 D85 V86 V89 K105 F107 C347 I348 | Y79-M81 HydrophobicContact CD1-CG 3.75Å; Y79-M81 HydrophobicContact CE1-CG 3.59Å; M81-D85 HydrophobicContact CB-CB 4.27Å; M81-D85 HydrophobicContact CE-CB 3.33Å; M81-V86 HydrophobicContact CB-CG2 3.91Å; M81-V89 HydrophobicContact CE-CG2 3.56Å; M81-V89 HydrophobicContact SD-CG2 3.96Å; M81-K105 PolarHBondContact N-O 3.03Å; M81-F107 HydrophobicContact CB-CD2 4.41Å; M81-F107 HydrophobicContact CB-CE2 4.32Å; M81-F107 HydrophobicContact CG-CD2 3.76Å; M81-F107 HydrophobicContact CG-CE2 3.94Å; M81-F107 HydrophobicContact SD-CD1 4.48Å; M81-F107 HydrophobicContact SD-CD2 3.42Å; M81-F107 WeakPolarHBondContact SD-CD2 3.48Å; M81-F107 HydrophobicContact SD-CE1 4.33Å; M81-F107 HydrophobicContact SD-CE2 3.25Å; M81-F107 WeakPolarHBondContact SD-CE2 3.28Å; M81-F107 HydrophobicContact SD-CG 4.08Å; M81-F107 HydrophobicContact SD-CZ 3.74Å; M81-C347 HydrophobicContact CE-CB 4.04Å; M81-C347 HydrophobicContact SD-CB 3.35Å; M81-C347 WeakPolarHBondContact SD-CB 3.41Å; M81-I348 HydrophobicContact CE-CD1 4.34Å; M81-I348 HydrophobicContact CE-CG1 3.8Å |
| 82 | S | 90.7 | Very high | 89.4 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 38% | 0.378 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -68.8 | 158.7 | 169.7 | 72.2 | 0 | 0 | 0 | 0 | 111.5 | E84 D85 V86 | S82-E84 PolarHBondContact O-N 3.43Å; S82-D85 PolarHBondContact O-N 2.96Å; S82-D85 VanDerWaalsContact O-N 3.09Å; S82-D85 PolarHBondContact OG-N 3.44Å; S82-D85 PolarHBondContact OG-OD2 3.46Å; S82-V86 WeakPolarHBondContact O-CG2 3.39Å; S82-V86 PolarHBondContact O-N 2.63Å |
| 83 | D | 89.7 | Confident | 90.2 | Very high | 95 Ų | 95 | 43 Ų | 43 | 51% | 0.508 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58 | -37.6 | 177.6 | -74.2 | -44.2 | 0 | 0 | 0 | 112.7 | V86 Q87 K105 | D83-V86 PolarHBondContact O-N 2.7Å; D83-Q87 WeakPolarHBondContact O-CG 3.41Å; D83-Q87 PolarHBondContact O-N 3.29Å; D83-Q87 VanDerWaalsContact O-N 3.1Å; D83-K105 WeakPolarHBondContact OD1-CE 3.27Å; D83-K105 IonicContact OD1-NZ 2.65Å; D83-K105 PolarHBondContact OD1-NZ 2.84Å; D83-K105 IonicContact OD2-NZ 3.03Å; D83-K105 PolarHBondContact OD2-NZ 2.83Å |
| 84 | E | 87.7 | Confident | 90.7 | Very high | 127 Ų | 127 | 45.4 Ų | 45.4 | 59% | 0.593 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.4 | -41.1 | 176.1 | -63.8 | -177 | -175.5 | 0 | 0 | 112.2 | S82 Q87 S88 R238 | S82-E84 PolarHBondContact O-N 3.43Å; E84-Q87 PolarHBondContact O-N 2.65Å; E84-S88 PolarHBondContact O-N 2.92Å; E84-S88 PolarHBondContact O-OG 3.37Å; E84-S88 VanDerWaalsContact O-OG 3.07Å; E84-R238 IonicContact OE2-CZ 3.45Å; E84-R238 IonicContact OE2-NE 3.47Å |
| 85 | D | 90.5 | Very high | 91 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.7 | -36.2 | 178.1 | -61.8 | -40.3 | 0 | 0 | 0 | 111 | M81 S82 Q87 S88 V89 R238 Q344 | M81-D85 HydrophobicContact CB-CB 4.27Å; M81-D85 HydrophobicContact CE-CB 3.33Å; S82-D85 PolarHBondContact O-N 2.96Å; S82-D85 VanDerWaalsContact O-N 3.09Å; S82-D85 PolarHBondContact OG-N 3.44Å; S82-D85 PolarHBondContact OG-OD2 3.46Å; D85-Q87 VanDerWaalsContact C-N 3.33Å; D85-Q87 PolarHBondContact O-N 3.41Å; D85-S88 WeakPolarHBondContact O-CA 3.18Å; D85-S88 VanDerWaalsContact O-CB 3.27Å; D85-S88 WeakPolarHBondContact O-CB 3.46Å; D85-S88 PolarHBondContact O-N 3.11Å; D85-V89 WeakPolarHBondContact O-CG2 3.2Å; D85-V89 PolarHBondContact O-N 3.05Å; D85-R238 IonicContact OD1-CZ 3.54Å; D85-R238 IonicContact OD1-NH1 2.96Å; D85-R238 PolarHBondContact OD1-NH1 2.95Å; D85-R238 IonicContact OD1-NH2 3.69Å; D85-R238 PolarHBondContact OD1-NH2 3.3Å; D85-Q344 PolarHBondContact OD2-NE2 3Å |
| 86 | V | 91.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -41.9 | 173.4 | 166.2 | 0 | 0 | 0 | 0 | 111.4 | M81 S82 D83 S88 V89 K90 I95 K105 | M81-V86 HydrophobicContact CB-CG2 3.91Å; S82-V86 WeakPolarHBondContact O-CG2 3.39Å; S82-V86 PolarHBondContact O-N 2.63Å; D83-V86 PolarHBondContact O-N 2.7Å; V86-S88 VanDerWaalsContact C-N 3.25Å; V86-S88 PolarHBondContact O-N 2.97Å; V86-V89 WeakPolarHBondContact O-CB 3.27Å; V86-V89 PolarHBondContact O-N 3.03Å; V86-K90 HydrophobicContact CG1-CD 4.31Å; V86-K90 PolarHBondContact O-N 3.3Å; V86-I95 HydrophobicContact CB-CD1 4.43Å; V86-I95 HydrophobicContact CG1-CD1 3.62Å; V86-I95 HydrophobicContact CG2-CD1 4.23Å; V86-K105 HydrophobicContact CG2-CB 4.39Å; V86-K105 HydrophobicContact CG2-CG 4.3Å |
| 87 | Q | 91.4 | Very high | 91.3 | Very high | 95 Ų | 95 | 51.1 Ų | 51.1 | 44% | 0.444 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -33.9 | 173.5 | -64.5 | -45.1 | -43.4 | 0 | 0 | 112.2 | D83 E84 D85 K90 A91 E103 | D83-Q87 WeakPolarHBondContact O-CG 3.41Å; D83-Q87 PolarHBondContact O-N 3.29Å; D83-Q87 VanDerWaalsContact O-N 3.1Å; E84-Q87 PolarHBondContact O-N 2.65Å; D85-Q87 VanDerWaalsContact C-N 3.33Å; D85-Q87 PolarHBondContact O-N 3.41Å; Q87-K90 PolarHBondContact O-N 2.93Å; Q87-K90 VanDerWaalsContact OE1-NZ 3.09Å; Q87-A91 PolarHBondContact O-N 3.43Å; Q87-E103 PolarHBondContact NE2-OE2 2.87Å |
| 88 | S | 91.4 | Very high | 91.2 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 26% | 0.259 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 175.6 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | E84 D85 V86 | E84-S88 PolarHBondContact O-N 2.92Å; E84-S88 PolarHBondContact O-OG 3.37Å; E84-S88 VanDerWaalsContact O-OG 3.07Å; D85-S88 WeakPolarHBondContact O-CA 3.18Å; D85-S88 VanDerWaalsContact O-CB 3.27Å; D85-S88 WeakPolarHBondContact O-CB 3.46Å; D85-S88 PolarHBondContact O-N 3.11Å; V86-S88 VanDerWaalsContact C-N 3.25Å; V86-S88 PolarHBondContact O-N 2.97Å |
| 89 | V | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -49.4 | 171.4 | -179 | 0 | 0 | 0 | 0 | 110.2 | M81 D85 V86 A91 I92 Q93 F107 I348 | M81-V89 HydrophobicContact CE-CG2 3.56Å; M81-V89 HydrophobicContact SD-CG2 3.96Å; D85-V89 WeakPolarHBondContact O-CG2 3.2Å; D85-V89 PolarHBondContact O-N 3.05Å; V86-V89 WeakPolarHBondContact O-CB 3.27Å; V86-V89 PolarHBondContact O-N 3.03Å; V89-A91 PolarHBondContact O-N 2.6Å; V89-I92 PolarHBondContact O-N 2.8Å; V89-Q93 CarbonylContact C-O 3.57Å; V89-Q93 HydrophobicContact CG1-CG 3.89Å; V89-Q93 PolarHBondContact O-N 3.05Å; V89-F107 HydrophobicContact CG1-CE1 4.47Å; V89-F107 HydrophobicContact CG1-CZ 4.2Å; V89-F107 HydrophobicContact CG2-CZ 4.02Å; V89-I348 HydrophobicContact CG2-CG1 3.94Å |
| 90 | K | 92.3 | Very high | 90.7 | Very high | 82 Ų | 82 | 60 Ų | 60 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -29.8 | -177.6 | -75.8 | 175.7 | 63.7 | -160.7 | 0 | 114.1 | V86 Q87 I92 Q93 I95 E103 | V86-K90 HydrophobicContact CG1-CD 4.31Å; V86-K90 PolarHBondContact O-N 3.3Å; Q87-K90 PolarHBondContact O-N 2.93Å; Q87-K90 VanDerWaalsContact OE1-NZ 3.09Å; K90-I92 PolarHBondContact O-N 3.42Å; K90-Q93 VanDerWaalsContact CA-O 3.31Å; K90-Q93 WeakPolarHBondContact CA-O 3.46Å; K90-I95 HydrophobicContact CD-CG2 4.09Å; K90-I95 HydrophobicContact CG-CB 4.27Å; K90-I95 HydrophobicContact CG-CG2 3.97Å; K90-E103 WeakPolarHBondContact CD-OE1 3.25Å; K90-E103 WeakPolarHBondContact CD-OE2 3.43Å; K90-E103 WeakPolarHBondContact CE-OE1 3.32Å; K90-E103 IonicContact NZ-OE1 3.51Å; K90-E103 PolarHBondContact NZ-OE1 2.91Å; K90-E103 IonicContact NZ-OE2 3.39Å |
| 91 | A | 90.6 | Very high | 90.5 | Very high | 87 Ų | 87 | 57.1 Ų | 57.1 | 72% | 0.719 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q87 V89 | Q87-A91 PolarHBondContact O-N 3.43Å; V89-A91 PolarHBondContact O-N 2.6Å |
| 92 | I | 89.3 | Confident | 90.6 | Very high | 84 Ų | 84 | 62.7 Ų | 62.7 | 43% | 0.431 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -40.1 | -175.2 | -55.6 | 175.9 | 0 | 0 | 0 | 111.4 | V89 K90 I348 | V89-I92 PolarHBondContact O-N 2.8Å; K90-I92 PolarHBondContact O-N 3.42Å; I92-I348 HydrophobicContact CD1-CG2 3.66Å |
| 93 | Q | 92.7 | Very high | 90.6 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 6% | 0.056 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -154.7 | 152.7 | -173.6 | 62.5 | -173.1 | -54.5 | 0 | 0 | 111.7 | R20 V89 K90 I348 L350 | R20-Q93 VanDerWaalsContact NH2-CD 3.34Å; V89-Q93 CarbonylContact C-O 3.57Å; V89-Q93 HydrophobicContact CG1-CG 3.89Å; V89-Q93 PolarHBondContact O-N 3.05Å; K90-Q93 VanDerWaalsContact CA-O 3.31Å; K90-Q93 WeakPolarHBondContact CA-O 3.46Å; Q93-I348 PolarHBondContact NE2-O 2.82Å; Q93-L350 PolarHBondContact NE2-O 3.42Å |
| 94 | P | 92.3 | Very high | 90.8 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 40% | 0.403 | 33% | 0.334 | S | S | . | . | trans | -66.8 | 153 | -177.8 | 29.7 | -36.7 | 0 | 0 | 0 | 111.8 | R17 | R17-P94 WeakPolarHBondContact CB-O 3.36Š| ||
| 95 | I | 93.7 | Very high | 91 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.062 | 32% | 0.32 | C | S | . | . | trans | -108.4 | 159.8 | 173.9 | -155.7 | 164 | 0 | 0 | 0 | 110.8 | R17 N18 V86 K90 E103 E104 F107 | R17-I95 WeakPolarHBondContact CD-O 3.49Å; R17-I95 PolarHBondContact NH1-O 2.87Å; N18-I95 WeakPolarHBondContact ND2-CG1 3.46Å; N18-I95 VanDerWaalsContact OD1-CG1 3.25Å; N18-I95 WeakPolarHBondContact OD1-CG1 3.48Å; V86-I95 HydrophobicContact CB-CD1 4.43Å; V86-I95 HydrophobicContact CG1-CD1 3.62Å; V86-I95 HydrophobicContact CG2-CD1 4.23Å; K90-I95 HydrophobicContact CD-CG2 4.09Å; K90-I95 HydrophobicContact CG-CB 4.27Å; K90-I95 HydrophobicContact CG-CG2 3.97Å; I95-E103 HydrophobicContact CG2-CB 4.18Å; I95-E103 HydrophobicContact CG2-CG 4.08Å; I95-E104 WeakPolarHBondContact CD1-O 3.23Å; I95-F107 HydrophobicContact CD1-CE2 4.1Å; I95-F107 HydrophobicContact CD1-CZ 3.84Å; I95-F107 HydrophobicContact CG1-CZ 4.3Å | ||
| 96 | S | 94 | Very high | 91.1 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | trans | -74.6 | 150.8 | 174.6 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | Y15 R17 N18 E104 | Y15-S96 PolarHBondContact O-OG 3.46Å; R17-S96 WeakPolarHBondContact CB-OG 3.26Å; R17-S96 PolarHBondContact N-OG 2.87Å; N18-S96 WeakPolarHBondContact OD1-CB 3.37Å; N18-S96 PolarHBondContact OD1-N 3.46Å; N18-S96 PolarHBondContact OD1-OG 3.43Å; S96-E104 PolarHBondContact O-N 3.23Å | ||
| 97 | I | 92.2 | Very high | 91.3 | Very high | 111 Ų | 111 | 56.6 Ų | 56.6 | 57% | 0.569 | 32% | 0.319 | S | S | * | . | B | Isolated β-bridge | trans | -106.6 | 129.2 | 171.4 | -60.8 | 175.6 | 0 | 0 | 0 | 106.6 | G101 K102 | I97-G101 VanDerWaalsContact CG2-C 3.44Å; I97-K102 CarbonylContact C-O 3.53Å; I97-K102 WeakPolarHBondContact CA-O 3.43Å |
| 98 | N | 88.3 | Confident | 91.5 | Very high | 25 Ų | 25 | 52.1 Ų | 52.1 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | trans | -78.6 | 178.5 | 179.6 | 70.8 | 16.5 | 0 | 0 | 0 | 111.8 | Y15 E100 G101 K102 E104 | Y15-N98 HydrophobicContact CE1-CB 4.44Å; N98-E100 PolarHBondContact O-N 3.3Å; N98-E100 VanDerWaalsContact O-N 3.16Å; N98-E100 WeakPolarHBondContact OD1-CA 3.47Å; N98-E100 WeakPolarHBondContact OD1-CB 3.4Å; N98-E100 PolarHBondContact OD1-N 3.42Å; N98-G101 PolarHBondContact O-N 2.98Å; N98-G101 PolarHBondContact OD1-N 3.14Å; N98-K102 PolarHBondContact N-O 3.34Å; N98-K102 PolarHBondContact OD1-N 3.28Å; N98-K102 PolarHBondContact OD1-O 3.49Å; N98-E104 HydrophobicContact CB-CB 4.48Å | ||
| 99 | S | 85.2 | Confident | 91.7 | Very high | 106 Ų | 106 | 50.3 Ų | 50.3 | 74% | 0.741 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.4 | -179.3 | 46.5 | 0 | 0 | 0 | 0 | 114.2 | G101 | S99-G101 VanDerWaalsContact C-N 3.29Š|
| 100 | E | 87.1 | Confident | 91.8 | Very high | 132 Ų | 132 | 50.4 Ų | 50.4 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 2.4 | 176.2 | -58.2 | -176.8 | -178 | 0 | 0 | 113 | N98 K102 | N98-E100 PolarHBondContact O-N 3.3Å; N98-E100 VanDerWaalsContact O-N 3.16Å; N98-E100 WeakPolarHBondContact OD1-CA 3.47Å; N98-E100 WeakPolarHBondContact OD1-CB 3.4Å; N98-E100 PolarHBondContact OD1-N 3.42Å; E100-K102 HydrophobicContact CB-CD 4.44Å; E100-K102 HydrophobicContact CB-CG 4.39Å; E100-K102 PolarHBondContact O-N 3.19Å; E100-K102 IonicContact OE2-NZ 2.77Å; E100-K102 PolarHBondContact OE2-NZ 3.47Å |
| 101 | G | 87.8 | Confident | 91.9 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 61% | 0.608 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 74.6 | 12.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | I97 N98 S99 | I97-G101 VanDerWaalsContact CG2-C 3.44Å; N98-G101 PolarHBondContact O-N 2.98Å; N98-G101 PolarHBondContact OD1-N 3.14Å; S99-G101 VanDerWaalsContact C-N 3.29Å |
| 102 | K | 90.7 | Very high | 92 | Very high | 122 Ų | 122 | 42.4 Ų | 42.4 | 53% | 0.53 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -98.6 | 158 | 177.8 | -64.3 | 175.6 | -172.7 | 153.9 | 0 | 111.2 | I97 N98 E100 E104 | I97-K102 CarbonylContact C-O 3.53Å; I97-K102 WeakPolarHBondContact CA-O 3.43Å; N98-K102 PolarHBondContact N-O 3.34Å; N98-K102 PolarHBondContact OD1-N 3.28Å; N98-K102 PolarHBondContact OD1-O 3.49Å; E100-K102 HydrophobicContact CB-CD 4.44Å; E100-K102 HydrophobicContact CB-CG 4.39Å; E100-K102 PolarHBondContact O-N 3.19Å; E100-K102 IonicContact OE2-NZ 2.77Å; E100-K102 PolarHBondContact OE2-NZ 3.47Å; K102-E104 PolarHBondContact O-N 2.9Å |
| 103 | E | 91 | Very high | 92.1 | Very high | 68 Ų | 68 | 38.4 Ų | 38.4 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | B | Isolated β-bridge | trans | -62.7 | 126.2 | 172.6 | -64.6 | 179.1 | 176.2 | 0 | 0 | 109.8 | Q87 K90 I95 K105 | Q87-E103 PolarHBondContact NE2-OE2 2.87Å; K90-E103 WeakPolarHBondContact CD-OE1 3.25Å; K90-E103 WeakPolarHBondContact CD-OE2 3.43Å; K90-E103 WeakPolarHBondContact CE-OE1 3.32Å; K90-E103 IonicContact NZ-OE1 3.51Å; K90-E103 PolarHBondContact NZ-OE1 2.91Å; K90-E103 IonicContact NZ-OE2 3.39Å; I95-E103 HydrophobicContact CG2-CB 4.18Å; I95-E103 HydrophobicContact CG2-CG 4.08Å; E103-K105 PolarHBondContact O-N 3.44Å |
| 104 | E | 93.3 | Very high | 91.9 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 123 | 176.1 | -178.5 | 51.8 | -100.1 | 0 | 0 | 109.4 | M12 Y15 N18 I95 S96 N98 K102 G106 | M12-E104 HydrophobicContact CE-CG 4.15Å; M12-E104 HydrophobicContact SD-CG 4.43Å; Y15-E104 HydrophobicContact CD2-CG 3.73Å; Y15-E104 HydrophobicContact CE2-CG 4.05Å; Y15-E104 WeakPolarHBondContact CE2-OE2 3.31Å; Y15-E104 HydrophobicContact CG-CG 4.15Å; N18-E104 PolarHBondContact ND2-O 3.43Å; I95-E104 WeakPolarHBondContact CD1-O 3.23Å; S96-E104 PolarHBondContact O-N 3.23Å; N98-E104 HydrophobicContact CB-CB 4.48Å; K102-E104 PolarHBondContact O-N 2.9Å; E104-G106 PolarHBondContact OE1-N 3.34Å |
| 105 | K | 93.1 | Very high | 91.6 | Very high | 66 Ų | 66 | 35 Ų | 35 | 29% | 0.287 | 19% | 0.193 | S | C | . | . | trans | -95 | -20.3 | -178.1 | -54.3 | -169.2 | -167.4 | -173.6 | 0 | 112.5 | E80 M81 D83 V86 E103 F107 | E80-K105 HydrophobicContact CG-CB 4.18Å; M81-K105 PolarHBondContact N-O 3.03Å; D83-K105 WeakPolarHBondContact OD1-CE 3.27Å; D83-K105 IonicContact OD1-NZ 2.65Å; D83-K105 PolarHBondContact OD1-NZ 2.84Å; D83-K105 IonicContact OD2-NZ 3.03Å; D83-K105 PolarHBondContact OD2-NZ 2.83Å; V86-K105 HydrophobicContact CG2-CB 4.39Å; V86-K105 HydrophobicContact CG2-CG 4.3Å; E103-K105 PolarHBondContact O-N 3.44Å; K105-F107 WeakPolarHBondContact O-CD2 3.41Å | ||
| 106 | G | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 144 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | M12 N18 Y79 E104 | M12-G106 WeakPolarHBondContact CE-O 3.5Å; N18-G106 WeakPolarHBondContact CB-O 3.49Å; N18-G106 PolarHBondContact ND2-O 3.32Å; Y79-G106 CarbonylContact O-C 3.52Å; E104-G106 PolarHBondContact OE1-N 3.34Å |
| 107 | F | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139.4 | 173.5 | -78.2 | -101.7 | 0 | 0 | 0 | 109.8 | N18 Y78 Y79 M81 V89 I95 K105 I109 C347 | N18-F107 HydrophobicContact CB-CD1 4.1Å; N18-F107 HydrophobicContact CB-CE1 4.18Å; N18-F107 HydrophobicContact CB-CG 4.41Å; N18-F107 WeakPolarHBondContact O-CA 3.3Å; N18-F107 VanDerWaalsContact O-CD1 3.27Å; N18-F107 WeakPolarHBondContact O-CD1 3.48Å; Y78-F107 WeakPolarHBondContact CA-O 3.33Å; Y79-F107 PolarHBondContact N-O 2.83Å; Y79-F107 PolarHBondContact O-N 3.4Å; M81-F107 HydrophobicContact CB-CD2 4.41Å; M81-F107 HydrophobicContact CB-CE2 4.32Å; M81-F107 HydrophobicContact CG-CD2 3.76Å; M81-F107 HydrophobicContact CG-CE2 3.94Å; M81-F107 HydrophobicContact SD-CD1 4.48Å; M81-F107 HydrophobicContact SD-CD2 3.42Å; M81-F107 WeakPolarHBondContact SD-CD2 3.48Å; M81-F107 HydrophobicContact SD-CE1 4.33Å; M81-F107 HydrophobicContact SD-CE2 3.25Å; M81-F107 WeakPolarHBondContact SD-CE2 3.28Å; M81-F107 HydrophobicContact SD-CG 4.08Å; M81-F107 HydrophobicContact SD-CZ 3.74Å; V89-F107 HydrophobicContact CG1-CE1 4.47Å; V89-F107 HydrophobicContact CG1-CZ 4.2Å; V89-F107 HydrophobicContact CG2-CZ 4.02Å; I95-F107 HydrophobicContact CD1-CE2 4.1Å; I95-F107 HydrophobicContact CD1-CZ 3.84Å; I95-F107 HydrophobicContact CG1-CZ 4.3Å; K105-F107 WeakPolarHBondContact O-CD2 3.41Å; F107-I109 HydrophobicContact CB-CD1 4.01Å; F107-C347 HydrophobicContact CD1-CB 3.99Å; F107-C347 HydrophobicContact CE1-CB 4.26Å; F107-C347 HydrophobicContact CG-CB 4.24Å |
| 108 | L | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.7 | 171.9 | 176.6 | 62 | 0 | 0 | 0 | 108.7 | L9 M12 M13 N18 I19 R20 N460 | L9-L108 HydrophobicContact CD2-CD1 3.68Å; M12-L108 HydrophobicContact CB-CB 4.06Å; M12-L108 HydrophobicContact CB-CD2 4.45Å; M13-L108 HydrophobicContact CG-CD2 3.88Å; N18-L108 PolarHBondContact O-N 3.28Å; I19-L108 CarbonylContact C-O 3.56Å; I19-L108 WeakPolarHBondContact CA-O 3.38Å; I19-L108 HydrophobicContact CG1-CB 4.4Å; I19-L108 HydrophobicContact CG1-CD2 4.42Å; R20-L108 PolarHBondContact N-O 3.32Å; L108-N460 WeakPolarHBondContact CD2-OD1 3.36Å |
| 109 | I | 95.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 109.2 | 179 | -55.1 | 87.7 | 0 | 0 | 0 | 108.2 | R20 M22 S76 L77 F107 L111 L343 I346 | R20-I109 HydrophobicContact CB-CG1 4.3Å; R20-I109 HydrophobicContact CB-CG2 4.44Å; R20-I109 CarbonylContact O-C 3.54Å; R20-I109 WeakPolarHBondContact O-CA 3.32Å; M22-I109 HydrophobicContact CG-CG2 3.99Å; S76-I109 CarbonylContact C-O 3.58Å; S76-I109 WeakPolarHBondContact CA-O 3.26Å; L77-I109 HydrophobicContact CB-CB 4.25Å; L77-I109 PolarHBondContact N-O 3.38Å; L77-I109 PolarHBondContact O-N 3.48Å; F107-I109 HydrophobicContact CB-CD1 4.01Å; I109-L111 PolarHBondContact O-N 3.45Å; I109-L343 HydrophobicContact CD1-CD2 4.09Å; I109-L343 HydrophobicContact CG1-CD2 4.25Å; I109-I346 HydrophobicContact CG1-CG2 4.3Å; I109-I346 HydrophobicContact CG2-CG2 4.05Å |
| 110 | N | 95.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 97 | 172.9 | -70.3 | -33.5 | 0 | 0 | 0 | 108.1 | R20 N21 M22 S76 I461 | R20-N110 PolarHBondContact O-N 3Å; N21-N110 WeakPolarHBondContact CA-O 3.33Å; N21-N110 HydrophobicContact CB-CB 4.49Å; N21-N110 VanDerWaalsContact OD1-CB 3.29Å; N21-N110 WeakPolarHBondContact OD1-CB 3.42Å; N21-N110 PolarHBondContact OD1-ND2 3.21Å; M22-N110 PolarHBondContact N-O 3.03Å; S76-N110 PolarHBondContact OG-OD1 2.96Å; N110-I461 HydrophobicContact CB-CD1 3.71Å; N110-I461 HydrophobicContact CB-CG1 3.81Å |
| 111 | L | 94.3 | Very high | 89 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.9 | -178.2 | -177.6 | 148.9 | 0 | 0 | 0 | 110.3 | M22 V24 T36 L39 A74 I75 L77 I109 D113 | M22-L111 HydrophobicContact CE-CD1 4.49Å; M22-L111 HydrophobicContact CE-CG 4.39Å; M22-L111 CarbonylContact O-C 3.59Å; M22-L111 WeakPolarHBondContact O-CA 3.35Å; M22-L111 HydrophobicContact SD-CD1 4.26Å; M22-L111 HydrophobicContact SD-CG 4.47Å; V24-L111 HydrophobicContact CG2-CD1 4.01Å; V24-L111 HydrophobicContact CG2-CD2 4.39Å; V24-L111 HydrophobicContact CG2-CG 4.19Å; T36-L111 HydrophobicContact CG2-CD1 4.06Å; T36-L111 HydrophobicContact CG2-CD2 3.52Å; T36-L111 HydrophobicContact CG2-CG 4.48Å; L39-L111 HydrophobicContact CB-CD1 4.46Å; L39-L111 HydrophobicContact CD1-CD1 3.43Å; L39-L111 VanDerWaalsContact CD1-CD1 3.43Å; A74-L111 CarbonylContact C-O 3.55Å; A74-L111 WeakPolarHBondContact CA-O 3.42Å; I75-L111 PolarHBondContact N-O 3.01Å; I75-L111 PolarHBondContact O-N 3.33Å; L77-L111 HydrophobicContact CD1-CD1 4.47Å; I109-L111 PolarHBondContact O-N 3.45Å; L111-D113 HydrophobicContact CD2-CB 4.16Å |
| 112 | I | 93.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.5 | 167.6 | -53.2 | -175.9 | 0 | 0 | 0 | 108.6 | M22 S23 V24 T73 A74 A127 V130 T131 F405 I461 | M22-I112 PolarHBondContact O-N 3.37Å; S23-I112 CarbonylContact C-O 3.55Å; S23-I112 VanDerWaalsContact CA-O 3.28Å; S23-I112 WeakPolarHBondContact CA-O 3.25Å; V24-I112 PolarHBondContact N-O 3.17Å; T73-I112 WeakPolarHBondContact O-CA 3.44Å; A74-I112 HydrophobicContact CB-CG1 4.17Å; I112-A127 HydrophobicContact CB-CB 4.24Å; I112-A127 HydrophobicContact CD1-CB 4.44Å; I112-A127 HydrophobicContact CG2-CB 3.56Å; I112-V130 HydrophobicContact CD1-CG2 3.41Å; I112-V130 VanDerWaalsContact CD1-CG2 3.41Å; I112-T131 HydrophobicContact CD1-CG2 3.78Å; I112-T131 HydrophobicContact CG1-CG2 4.1Å; I112-F405 HydrophobicContact CD1-CE1 4.02Å; I112-F405 HydrophobicContact CD1-CZ 3.94Å; I112-I461 HydrophobicContact CD1-CD1 4.42Å; I112-I461 HydrophobicContact CG1-CD1 4.41Å |
| 113 | D | 90.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 114.8 | 173.8 | -167 | 22.3 | 0 | 0 | 0 | 109.1 | K32 T36 T57 S72 T73 L111 | K32-D113 VanDerWaalsContact CD-OD1 3.28Å; K32-D113 WeakPolarHBondContact CD-OD1 3.49Å; K32-D113 WeakPolarHBondContact CE-OD1 3.4Å; K32-D113 WeakPolarHBondContact CG-OD1 3.44Å; K32-D113 IonicContact NZ-OD1 3.92Å; K32-D113 PolarHBondContact NZ-OD1 3.13Å; K32-D113 IonicContact NZ-OD2 2.66Å; K32-D113 PolarHBondContact NZ-OD2 3.12Å; T36-D113 HydrophobicContact CG2-CB 4.35Å; T57-D113 WeakPolarHBondContact CB-OD2 3.07Å; T57-D113 HydrophobicContact CG2-CB 3.86Å; T57-D113 PolarHBondContact OG1-OD2 3.4Å; S72-D113 WeakPolarHBondContact CA-O 3.27Å; T73-D113 PolarHBondContact N-O 3.37Å; T73-D113 PolarHBondContact O-N 2.88Å; L111-D113 HydrophobicContact CD2-CB 4.16Å |
| 114 | S | 88.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.035 | C | C | . | . | trans | -104.2 | 154.6 | -171.4 | 74 | 0 | 0 | 0 | 0 | 112.5 | V24 K32 | V24-S114 PolarHBondContact O-N 3.38Å; V24-S114 PolarHBondContact O-OG 3.03Å; K32-S114 WeakPolarHBondContact CD-O 3.44Å; K32-S114 WeakPolarHBondContact CE-O 3.39Å; K32-S114 PolarHBondContact NZ-O 2.85Å | ||
| 115 | P | 85.9 | Confident | 88.5 | Confident | 1 Ų | 1 | 6.5 Ų | 6.5 | 1% | 0.006 | 3% | 0.033 | C | C | . | . | trans | -61.6 | 148.6 | 177.2 | -29.5 | 39.7 | 0 | 0 | 0 | 114.4 | T69 I70 S72 F120 E123 V124 | T69-P115 WeakPolarHBondContact O-CA 3.49Å; T69-P115 VanDerWaalsContact O-CB 3.28Å; T69-P115 WeakPolarHBondContact O-CB 3.48Å; I70-P115 VanDerWaalsContact O-CG 3.29Å; I70-P115 WeakPolarHBondContact O-CG 3.48Å; S72-P115 WeakPolarHBondContact OG-CD 3.49Å; P115-F120 HydrophobicContact CB-CB 3.51Å; P115-F120 HydrophobicContact CB-CD2 4.5Å; P115-F120 HydrophobicContact CB-CG 4.38Å; P115-F120 HydrophobicContact CG-CB 3.72Å; P115-E123 HydrophobicContact CG-CB 3.79Å; P115-E123 HydrophobicContact CG-CG 4.49Å; P115-V124 HydrophobicContact CB-CG2 4.39Å; P115-V124 WeakPolarHBondContact O-CG2 3.42Å | ||
| 116 | G | 79.4 | Confident | 88.3 | Confident | 7 Ų | 7 | 3.4 Ų | 3.4 | 7% | 0.072 | 2% | 0.019 | C | C | . | . | trans | -99.8 | -12.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A26 V28 | A26-G116 WeakPolarHBondContact O-CA 3.27Å; V28-G116 VanDerWaalsContact CG2-C 3.48Å; V28-G116 VanDerWaalsContact CG2-O 3.27Å; V28-G116 WeakPolarHBondContact CG2-O 3.43Å | ||
| 117 | H | 81.1 | Confident | 88.3 | Confident | 32 Ų | 32 | 3.5 Ų | 3.5 | 15% | 0.148 | 2% | 0.02 | C | C | . | . | S | Bend | trans | -90.4 | 138.6 | -179 | -168.1 | -70.7 | 0 | 0 | 0 | 110.6 | V28 D119 F120 L544 | V28-H117 HydrophobicContact CG2-CB 3.84Å; H117-D119 VanDerWaalsContact C-N 3.34Å; H117-D119 IonicContact CE1-OD1 3.76Å; H117-D119 PolarHBondContact CE1-OD1 2.94Å; H117-D119 WeakPolarHBondContact ND1-CB 3.48Å; H117-D119 PolarHBondContact ND1-N 3.11Å; H117-D119 IonicContact ND1-OD1 2.76Å; H117-D119 PolarHBondContact O-N 3.35Å; H117-F120 HydrophobicContact CB-CD2 4.08Å; H117-F120 HydrophobicContact CB-CE2 4.46Å; H117-F120 PolarHBondContact O-N 2.91Å; H117-L544 WeakPolarHBondContact NE2-CD2 3.43Å |
| 118 | V | 78.3 | Confident | 88.3 | Confident | 2 Ų | 2 | 3.5 Ų | 3.5 | 1% | 0.012 | 2% | 0.02 | C | C | . | . | G | 310 helix | trans | -61.3 | -36.6 | -171.9 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | F120 S121 V493 C804 V805 | V118-F120 PolarHBondContact O-N 3.38Å; V118-S121 WeakPolarHBondContact O-CB 3.45Å; V118-S121 PolarHBondContact O-N 2.95Å; V118-S121 PolarHBondContact O-OG 2.79Å; V118-V493 HydrophobicContact CG2-CG1 3.93Å; V118-C804 WeakPolarHBondContact CG1-O 3.47Å; V118-V805 HydrophobicContact CB-CG2 4.32Å; V118-V805 HydrophobicContact CG1-CG2 4.37Å; V118-V805 HydrophobicContact CG2-CB 4.27Å; V118-V805 HydrophobicContact CG2-CG1 3.97Å; V118-V805 HydrophobicContact CG2-CG2 3.74Å |
| 119 | D | 81.9 | Confident | 88.1 | Confident | 10 Ų | 10 | 3.8 Ų | 3.8 | 5% | 0.053 | 2% | 0.021 | C | C | . | . | G | 310 helix | trans | -50.1 | -28.4 | 173.4 | -79.4 | 35.2 | 0 | 0 | 0 | 114 | H117 L544 H545 | H117-D119 VanDerWaalsContact C-N 3.34Å; H117-D119 IonicContact CE1-OD1 3.76Å; H117-D119 PolarHBondContact CE1-OD1 2.94Å; H117-D119 WeakPolarHBondContact ND1-CB 3.48Å; H117-D119 PolarHBondContact ND1-N 3.11Å; H117-D119 IonicContact ND1-OD1 2.76Å; H117-D119 PolarHBondContact O-N 3.35Å; D119-L544 WeakPolarHBondContact OD2-CB 3.46Å; D119-H545 HydrophobicContact CB-CB 3.97Å; D119-H545 PolarHBondContact OD2-N 3.02Å |
| 120 | F | 84.7 | Confident | 88.1 | Confident | 1 Ų | 1 | 3.8 Ų | 3.8 | 0% | 0.004 | 2% | 0.021 | C | C | . | . | G | 310 helix | trans | -109.1 | 20.6 | -179.2 | -50.6 | -64.7 | 0 | 0 | 0 | 112.8 | I70 P115 H117 V118 S122 E123 V124 L544 H545 I548 | I70-F120 HydrophobicContact CG1-CE2 4.22Å; I70-F120 HydrophobicContact CG1-CZ 4.45Å; I70-F120 HydrophobicContact CG2-CD1 4.18Å; I70-F120 HydrophobicContact CG2-CE1 3.9Å; I70-F120 HydrophobicContact CG2-CE2 4.45Å; I70-F120 HydrophobicContact CG2-CZ 4.09Å; P115-F120 HydrophobicContact CB-CB 3.51Å; P115-F120 HydrophobicContact CB-CD2 4.5Å; P115-F120 HydrophobicContact CB-CG 4.38Å; P115-F120 HydrophobicContact CG-CB 3.72Å; H117-F120 HydrophobicContact CB-CD2 4.08Å; H117-F120 HydrophobicContact CB-CE2 4.46Å; H117-F120 PolarHBondContact O-N 2.91Å; V118-F120 PolarHBondContact O-N 3.38Å; F120-S122 PolarHBondContact O-N 2.76Å; F120-S122 VanDerWaalsContact O-N 3.14Å; F120-E123 WeakPolarHBondContact O-CB 3.48Å; F120-E123 PolarHBondContact O-N 2.71Å; F120-V124 PolarHBondContact O-N 2.72Å; F120-L544 HydrophobicContact CE2-CD2 4.13Å; F120-L544 HydrophobicContact CE2-CG 4.31Å; F120-L544 HydrophobicContact CZ-CG 4.26Å; F120-H545 HydrophobicContact CE1-CB 4.45Å; F120-I548 HydrophobicContact CE1-CD1 4.16Å; F120-I548 HydrophobicContact CE2-CD1 4.07Å; F120-I548 HydrophobicContact CZ-CD1 3.35Å |
| 121 | S | 82.1 | Confident | 88.2 | Confident | 3 Ų | 3 | 3.8 Ų | 3.8 | 2% | 0.021 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -56.4 | -27.3 | 175.9 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | V118 E123 V124 T125 V493 | V118-S121 WeakPolarHBondContact O-CB 3.45Å; V118-S121 PolarHBondContact O-N 2.95Å; V118-S121 PolarHBondContact O-OG 2.79Å; S121-E123 VanDerWaalsContact C-N 3.32Å; S121-E123 PolarHBondContact O-N 3.27Å; S121-V124 WeakPolarHBondContact O-CB 3.28Å; S121-V124 PolarHBondContact O-N 2.84Å; S121-V124 VanDerWaalsContact O-N 3.14Å; S121-T125 PolarHBondContact O-N 2.93Å; S121-T125 PolarHBondContact O-OG1 2.77Å; S121-V493 WeakPolarHBondContact OG-CG1 3.34Å; S121-V493 VanDerWaalsContact OG-CG2 3.26Å; S121-V493 WeakPolarHBondContact OG-CG2 3.43Å |
| 122 | S | 83.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 3.7 Ų | 3.7 | 1% | 0.007 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -62.1 | -36.5 | 173.6 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | F120 V124 T125 A126 | F120-S122 PolarHBondContact O-N 2.76Å; F120-S122 VanDerWaalsContact O-N 3.14Å; S122-V124 VanDerWaalsContact C-N 3.32Å; S122-T125 PolarHBondContact O-N 2.8Å; S122-A126 WeakPolarHBondContact O-CB 3.24Å; S122-A126 PolarHBondContact O-N 3Å |
| 123 | E | 88.3 | Confident | 88.5 | Confident | 2 Ų | 2 | 3.7 Ų | 3.7 | 1% | 0.009 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -70.4 | -30.3 | 174 | -72.5 | -83.1 | 170.4 | 0 | 0 | 111.6 | K71 S72 P115 F120 S121 A127 K392 | K71-E123 HydrophobicContact CD-CG 4.41Å; K71-E123 WeakPolarHBondContact CD-OE1 3.37Å; K71-E123 IonicContact NZ-OE1 2.74Å; K71-E123 PolarHBondContact NZ-OE1 2.87Å; S72-E123 PolarHBondContact N-OE2 2.89Å; S72-E123 VanDerWaalsContact N-OE2 3.16Å; S72-E123 PolarHBondContact OG-O 2.83Å; P115-E123 HydrophobicContact CG-CB 3.79Å; P115-E123 HydrophobicContact CG-CG 4.49Å; F120-E123 WeakPolarHBondContact O-CB 3.48Å; F120-E123 PolarHBondContact O-N 2.71Å; S121-E123 VanDerWaalsContact C-N 3.32Å; S121-E123 PolarHBondContact O-N 3.27Å; E123-A127 WeakPolarHBondContact O-CB 3.38Å; E123-A127 PolarHBondContact O-N 3.43Å; E123-K392 IonicContact OE2-NZ 3.81Å; E123-K392 PolarHBondContact OE2-NZ 3.15Å |
| 124 | V | 90 | Very high | 88.8 | Confident | 2 Ų | 2 | 3.7 Ų | 3.7 | 1% | 0.012 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -68.6 | -48.3 | 173.2 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | I25 P115 F120 S121 S122 A126 A127 L128 V151 | I25-V124 HydrophobicContact CG2-CG1 4.14Å; P115-V124 HydrophobicContact CB-CG2 4.39Å; P115-V124 WeakPolarHBondContact O-CG2 3.42Å; F120-V124 PolarHBondContact O-N 2.72Å; S121-V124 WeakPolarHBondContact O-CB 3.28Å; S121-V124 PolarHBondContact O-N 2.84Å; S121-V124 VanDerWaalsContact O-N 3.14Å; S122-V124 VanDerWaalsContact C-N 3.32Å; V124-A126 VanDerWaalsContact C-N 3.32Å; V124-A126 PolarHBondContact O-N 3.04Å; V124-A127 WeakPolarHBondContact O-CB 3.48Å; V124-A127 PolarHBondContact O-N 3.45Å; V124-L128 HydrophobicContact CG1-CD1 3.9Å; V124-L128 HydrophobicContact CG1-CG 4.31Å; V124-L128 WeakPolarHBondContact O-CB 3.35Å; V124-L128 VanDerWaalsContact O-CG 3.3Å; V124-L128 WeakPolarHBondContact O-CG 3.47Å; V124-L128 PolarHBondContact O-N 2.88Å; V124-V151 HydrophobicContact CG1-CB 4.37Å; V124-V151 HydrophobicContact CG1-CG1 4.17Å |
| 125 | T | 88.9 | Confident | 89.2 | Confident | 6 Ų | 6 | 3.7 Ų | 3.7 | 4% | 0.037 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -60.1 | -41.9 | 175.8 | -52 | 0 | 0 | 0 | 0 | 111.5 | S121 S122 A127 L128 R129 M489 | S121-T125 PolarHBondContact O-N 2.93Å; S121-T125 PolarHBondContact O-OG1 2.77Å; S122-T125 PolarHBondContact O-N 2.8Å; T125-A127 VanDerWaalsContact C-N 3.33Å; T125-A127 PolarHBondContact O-N 3.07Å; T125-L128 PolarHBondContact O-N 3.01Å; T125-R129 WeakPolarHBondContact O-CB 3.26Å; T125-R129 PolarHBondContact O-N 3.43Å; T125-M489 HydrophobicContact CG2-CB 4.06Å; T125-M489 HydrophobicContact CG2-CG 4.12Å; T125-M489 HydrophobicContact CG2-SD 4.04Å |
| 126 | A | 89.9 | Confident | 89.7 | Confident | 1 Ų | 1 | 3.7 Ų | 3.7 | 1% | 0.008 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -62.7 | -36.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S122 V124 S391 M489 | S122-A126 WeakPolarHBondContact O-CB 3.24Å; S122-A126 PolarHBondContact O-N 3Å; V124-A126 VanDerWaalsContact C-N 3.32Å; V124-A126 PolarHBondContact O-N 3.04Å; A126-S391 WeakPolarHBondContact O-CB 3.39Å; A126-S391 PolarHBondContact O-OG 2.86Å; A126-M489 VanDerWaalsContact CA-SD 3.5Å; A126-M489 HydrophobicContact CB-CE 4.2Å; A126-M489 HydrophobicContact CB-SD 4.08Å |
| 127 | A | 92.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 3.3 Ų | 3.3 | 2% | 0.017 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -69.3 | -50.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I112 E123 V124 T125 R129 V130 T131 | I112-A127 HydrophobicContact CB-CB 4.24Å; I112-A127 HydrophobicContact CD1-CB 4.44Å; I112-A127 HydrophobicContact CG2-CB 3.56Å; E123-A127 WeakPolarHBondContact O-CB 3.38Å; E123-A127 PolarHBondContact O-N 3.43Å; V124-A127 WeakPolarHBondContact O-CB 3.48Å; V124-A127 PolarHBondContact O-N 3.45Å; T125-A127 VanDerWaalsContact C-N 3.33Å; T125-A127 PolarHBondContact O-N 3.07Å; A127-R129 VanDerWaalsContact C-N 3.26Å; A127-R129 PolarHBondContact O-N 3.2Å; A127-V130 WeakPolarHBondContact O-CG2 3.31Å; A127-V130 PolarHBondContact O-N 3.43Å; A127-V130 VanDerWaalsContact O-N 3.14Å; A127-T131 WeakPolarHBondContact O-CG2 3.22Å; A127-T131 PolarHBondContact O-N 3.09Å; A127-T131 PolarHBondContact O-OG1 2.93Å |
| 128 | L | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 1.8 Ų | 1.8 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -57.5 | -39.8 | -179.8 | -71 | 171.2 | 0 | 0 | 0 | 111.8 | I25 V124 T125 V130 T131 A134 Q154 A155 E158 I160 | I25-L128 HydrophobicContact CG2-CD2 4.2Å; V124-L128 HydrophobicContact CG1-CD1 3.9Å; V124-L128 HydrophobicContact CG1-CG 4.31Å; V124-L128 WeakPolarHBondContact O-CB 3.35Å; V124-L128 VanDerWaalsContact O-CG 3.3Å; V124-L128 WeakPolarHBondContact O-CG 3.47Å; V124-L128 PolarHBondContact O-N 2.88Å; T125-L128 PolarHBondContact O-N 3.01Å; L128-V130 PolarHBondContact O-N 3.2Å; L128-T131 WeakPolarHBondContact CA-OG1 3.5Å; L128-T131 PolarHBondContact O-N 3.37Å; L128-T131 VanDerWaalsContact O-N 3.13Å; L128-T131 PolarHBondContact O-OG1 2.94Å; L128-A134 HydrophobicContact CD2-CB 4.39Å; L128-Q154 HydrophobicContact CD1-CB 3.88Å; L128-A155 HydrophobicContact CD1-CB 4.09Å; L128-A155 HydrophobicContact CD2-CB 3.81Å; L128-E158 HydrophobicContact CB-CB 4.5Å; L128-E158 HydrophobicContact CB-CG 4.48Å; L128-I160 HydrophobicContact CB-CG1 4.38Å; L128-I160 HydrophobicContact CD2-CB 4.49Å; L128-I160 HydrophobicContact CD2-CG1 4.19Å; L128-I160 HydrophobicContact CD2-CG2 4.21Å; L128-I160 WeakPolarHBondContact O-CD1 3.31Å |
| 129 | R | 92.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 2 Ų | 2 | 2% | 0.023 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -57.3 | -34.6 | -179.9 | -174.5 | 54.4 | 65.7 | 96.3 | -0.4 | 113.4 | T125 A127 E158 R360 L364 Y389 K487 M489 | T125-R129 WeakPolarHBondContact O-CB 3.26Å; T125-R129 PolarHBondContact O-N 3.43Å; A127-R129 VanDerWaalsContact C-N 3.26Å; A127-R129 PolarHBondContact O-N 3.2Å; R129-E158 IonicContact CZ-OE1 2.78Å; R129-E158 IonicContact CZ-OE2 3.35Å; R129-E158 IonicContact NE-OE1 3.53Å; R129-E158 PolarHBondContact NE-OE1 2.84Å; R129-E158 IonicContact NE-OE2 3.41Å; R129-E158 PolarHBondContact NE-OE2 2.83Å; R129-E158 IonicContact NH2-OE1 2.88Å; R129-E158 PolarHBondContact NH2-OE1 3.3Å; R129-E158 IonicContact NH2-OE2 3.22Å; R129-E158 PolarHBondContact NH2-OE2 3.01Å; R129-R360 PolarHBondContact O-NH2 2.84Å; R129-L364 VanDerWaalsContact CD-CD2 3.4Å; R129-Y389 HydrophobicContact CG-CD1 3.68Å; R129-Y389 HydrophobicContact CG-CE1 3.51Å; R129-K487 PolarHBondContact NH1-O 2.65Å; R129-M489 HydrophobicContact CB-SD 4.12Å; R129-M489 HydrophobicContact CG-CG 4.4Å; R129-M489 HydrophobicContact CG-SD 4.45Å |
| 130 | V | 95 | Very high | 92 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -96.1 | -9.3 | -179.3 | -63.6 | 0 | 0 | 0 | 0 | 113.8 | I112 A127 L128 S391 F405 R407 I461 | I112-V130 HydrophobicContact CD1-CG2 3.41Å; I112-V130 VanDerWaalsContact CD1-CG2 3.41Å; A127-V130 WeakPolarHBondContact O-CG2 3.31Å; A127-V130 PolarHBondContact O-N 3.43Å; A127-V130 VanDerWaalsContact O-N 3.14Å; L128-V130 PolarHBondContact O-N 3.2Å; V130-S391 WeakPolarHBondContact CG1-OG 3.41Å; V130-F405 HydrophobicContact CG2-CE1 4.16Å; V130-R407 HydrophobicContact CB-CB 3.92Å; V130-R407 HydrophobicContact CG1-CB 3.88Å; V130-R407 WeakPolarHBondContact O-CD 3.39Å; V130-R407 PolarHBondContact O-NH1 3.49Å; V130-I461 HydrophobicContact CB-CG2 4.11Å; V130-I461 HydrophobicContact CG2-CG2 4.39Å |
| 131 | T | 96.6 | Very high | 92 | Very high | 1 Ų | 1 | 2.9 Ų | 2.9 | 1% | 0.006 | 2% | 0.017 | C | C | . | . | trans | -98.9 | 168.9 | 179.2 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | N21 M22 S23 I112 A127 L128 I160 R360 | N21-T131 HydrophobicContact CB-CG2 4.4Å; M22-T131 VanDerWaalsContact C-CG2 3.47Å; S23-T131 WeakPolarHBondContact OG-CG2 3.35Å; S23-T131 PolarHBondContact OG-OG1 3.41Å; I112-T131 HydrophobicContact CD1-CG2 3.78Å; I112-T131 HydrophobicContact CG1-CG2 4.1Å; A127-T131 WeakPolarHBondContact O-CG2 3.22Å; A127-T131 PolarHBondContact O-N 3.09Å; A127-T131 PolarHBondContact O-OG1 2.93Å; L128-T131 WeakPolarHBondContact CA-OG1 3.5Å; L128-T131 PolarHBondContact O-N 3.37Å; L128-T131 VanDerWaalsContact O-N 3.13Å; L128-T131 PolarHBondContact O-OG1 2.94Å; T131-I160 WeakPolarHBondContact O-CD1 3.3Å; T131-R360 PolarHBondContact O-NH1 3.04Å | ||
| 132 | D | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.022 | C | C | . | . | S | Bend | trans | -114.3 | -26 | -179.2 | -63.4 | -52.9 | 0 | 0 | 0 | 113 | N21 K161 P351 S356 R360 R407 | N21-D132 WeakPolarHBondContact CB-OD2 3.46Å; N21-D132 PolarHBondContact ND2-OD2 3.35Å; N21-D132 PolarHBondContact O-N 2.99Å; D132-K161 PolarHBondContact O-N 3.04Å; D132-P351 HydrophobicContact CB-CG 4.15Å; D132-P351 WeakPolarHBondContact O-CG 3.24Å; D132-S356 VanDerWaalsContact OD1-CB 3.3Å; D132-S356 WeakPolarHBondContact OD1-CB 3.27Å; D132-S356 PolarHBondContact OD1-OG 3.1Å; D132-R360 IonicContact OD1-NH1 2.8Å; D132-R407 IonicContact OD1-CZ 3.17Å; D132-R407 IonicContact OD1-NH1 3.7Å; D132-R407 PolarHBondContact OD1-NH1 2.83Å; D132-R407 IonicContact OD1-NH2 2.86Å; D132-R407 PolarHBondContact OD1-NH2 2.92Å; D132-R407 IonicContact OD2-CZ 3.22Å; D132-R407 IonicContact OD2-NH1 3.77Å; D132-R407 PolarHBondContact OD2-NH1 3.31Å; D132-R407 VanDerWaalsContact OD2-NH1 3.09Å; D132-R407 IonicContact OD2-NH2 2.79Å; D132-R407 PolarHBondContact OD2-NH2 2.79Å |
| 133 | G | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 165.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N21 M22 S23 K161 | N21-G133 PolarHBondContact O-N 2.84Å; N21-G133 VanDerWaalsContact O-N 3.14Å; M22-G133 WeakPolarHBondContact CA-O 3.48Å; S23-G133 PolarHBondContact N-O 2.94Å; G133-K161 CarbonylContact C-O 3.57Å; G133-K161 WeakPolarHBondContact CA-O 3.41Å |
| 134 | A | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.032 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 136.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S23 I25 L128 A155 I160 K161 P162 V163 | S23-A134 CarbonylContact O-C 3.48Å; S23-A134 VanDerWaalsContact O-CA 3.25Å; S23-A134 WeakPolarHBondContact O-CA 3.29Å; I25-A134 HydrophobicContact CD1-CB 3.7Å; I25-A134 HydrophobicContact CG1-CB 4.1Å; L128-A134 HydrophobicContact CD2-CB 4.39Å; A134-A155 HydrophobicContact CB-CB 4.45Å; A134-I160 HydrophobicContact CB-CG2 3.77Å; A134-K161 PolarHBondContact N-O 3.34Å; A134-P162 CarbonylContact O-C 3.46Å; A134-P162 WeakPolarHBondContact O-CA 3.41Å; A134-V163 PolarHBondContact O-N 3.37Å |
| 135 | L | 97.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 5.1 Ų | 5.1 | 1% | 0.005 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 104.1 | 168.7 | 179.9 | 64 | 0 | 0 | 0 | 108.2 | M22 S23 V24 I25 L35 V137 V163 F165 L342 | M22-L135 HydrophobicContact CE-CB 3.9Å; S23-L135 PolarHBondContact O-N 3.42Å; V24-L135 HydrophobicContact CG1-CB 4.39Å; V24-L135 HydrophobicContact CG1-CD2 4.28Å; V24-L135 HydrophobicContact CG1-CG 4.44Å; I25-L135 PolarHBondContact N-O 2.81Å; L35-L135 HydrophobicContact CD2-CD2 3.91Å; L135-V137 HydrophobicContact CG-CG2 4.25Å; L135-V163 HydrophobicContact CB-CG2 4.45Å; L135-V163 HydrophobicContact CD1-CG2 3.71Å; L135-F165 HydrophobicContact CD1-CB 3.91Å; L135-L342 HydrophobicContact CD2-CD2 4.27Å |
| 136 | V | 96.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 115.6 | 178 | -172.9 | 0 | 0 | 0 | 0 | 108.5 | I25 V138 T148 L152 P162 V163 L164 F165 | I25-V136 HydrophobicContact CD1-CG2 4.04Å; I25-V136 HydrophobicContact CG1-CB 4.5Å; I25-V136 HydrophobicContact CG1-CG2 4.07Å; I25-V136 WeakPolarHBondContact O-CA 3.4Å; V136-V138 HydrophobicContact CG1-CG2 4.13Å; V136-T148 HydrophobicContact CG1-CG2 4.13Å; V136-L152 HydrophobicContact CG2-CD1 4.04Å; V136-P162 HydrophobicContact CG2-CB 3.85Å; V136-V163 WeakPolarHBondContact CB-O 3.36Å; V136-V163 PolarHBondContact N-O 3.22Å; V136-L164 HydrophobicContact CB-CD1 4.27Å; V136-L164 HydrophobicContact CG1-CD1 4.18Å; V136-F165 PolarHBondContact O-N 2.92Å |
| 137 | V | 96.2 | Very high | 90 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.2 | -179.7 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | V24 I25 A26 H30 L35 L135 F165 N167 | V24-V137 HydrophobicContact CG1-CG2 3.61Å; I25-V137 PolarHBondContact O-N 2.65Å; A26-V137 HydrophobicContact CB-CB 3.82Å; H30-V137 PolarHBondContact ND1-O 3.48Å; H30-V137 VanDerWaalsContact ND1-O 3.16Å; H30-V137 WeakPolarHBondContact O-CG1 3.3Å; L35-V137 HydrophobicContact CD2-CG1 4.16Å; L35-V137 HydrophobicContact CD2-CG2 3.57Å; L135-V137 HydrophobicContact CG-CG2 4.25Å; V137-F165 HydrophobicContact CG1-CD1 4.44Å; V137-N167 HydrophobicContact CG1-CB 3.76Å |
| 138 | V | 94.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124.5 | 179.4 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | V136 C140 G143 T148 L164 F165 M166 N167 V190 | V136-V138 HydrophobicContact CG1-CG2 4.13Å; V138-C140 PolarHBondContact O-N 3.36Å; V138-G143 WeakPolarHBondContact CG1-O 3.5Å; V138-T148 HydrophobicContact CG2-CG2 3.75Å; V138-L164 HydrophobicContact CB-CD1 4.04Å; V138-L164 HydrophobicContact CG2-CD1 3.5Å; V138-L164 VanDerWaalsContact CG2-CD1 3.5Å; V138-F165 PolarHBondContact N-O 2.71Å; V138-M166 HydrophobicContact CB-SD 4.21Å; V138-M166 CarbonylContact O-C 3.47Å; V138-M166 WeakPolarHBondContact O-CA 3.19Å; V138-N167 PolarHBondContact O-N 3.35Å; V138-V190 HydrophobicContact CB-CG1 4.27Å; V138-V190 HydrophobicContact CG1-CG1 3.68Å |
| 139 | D | 90.9 | Very high | 89.1 | Confident | 6 Ų | 6 | 8.5 Ų | 8.5 | 3% | 0.032 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 122.3 | 168.3 | 175.6 | -3.4 | 0 | 0 | 0 | 109 | H30 V141 S142 G143 K168 | H30-D139 HydrophobicContact CB-CB 4.48Å; H30-D139 PolarHBondContact ND1-N 3.31Å; D139-V141 PolarHBondContact O-N 2.77Å; D139-V141 WeakPolarHBondContact OD1-CB 3.45Å; D139-V141 PolarHBondContact OD1-N 3.02Å; D139-S142 PolarHBondContact O-N 2.75Å; D139-S142 PolarHBondContact OD2-OG 3.41Å; D139-G143 WeakPolarHBondContact O-CA 3.3Å; D139-G143 PolarHBondContact O-N 3.19Å; D139-K168 HydrophobicContact CB-CD 4.33Å; D139-K168 WeakPolarHBondContact OD2-CD 3.48Å; D139-K168 WeakPolarHBondContact OD2-CE 3.28Å; D139-K168 IonicContact OD2-NZ 2.68Å; D139-K168 PolarHBondContact OD2-NZ 3.42Å |
| 140 | C | 87.9 | Confident | 88.6 | Confident | 3 Ų | 3 | 9.7 Ų | 9.7 | 2% | 0.02 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.1 | -179.6 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | V138 M166 N167 F187 | V138-C140 PolarHBondContact O-N 3.36Å; C140-M166 HydrophobicContact CB-CE 3.8Å; C140-N167 PolarHBondContact N-O 3.05Å; C140-N167 PolarHBondContact SG-O 3.22Å; C140-F187 HydrophobicContact CB-CD1 4.11Å; C140-F187 HydrophobicContact CB-CE1 3.58Å |
| 141 | V | 84.1 | Confident | 88.4 | Confident | 26 Ų | 26 | 9.9 Ų | 9.9 | 16% | 0.158 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -45.4 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | D139 M171 A172 L176 | D139-V141 PolarHBondContact O-N 2.77Å; D139-V141 WeakPolarHBondContact OD1-CB 3.45Å; D139-V141 PolarHBondContact OD1-N 3.02Å; V141-M171 HydrophobicContact CG2-CB 4.2Å; V141-A172 HydrophobicContact CG2-CB 4.14Å; V141-L176 HydrophobicContact CB-CD1 4.2Å; V141-L176 HydrophobicContact CG1-CD1 3.64Å; V141-L176 HydrophobicContact CG2-CD1 3.69Å |
| 142 | S | 80.3 | Confident | 88.1 | Confident | 17 Ų | 17 | 9.8 Ų | 9.8 | 12% | 0.119 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -33.7 | -177.8 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | D139 Q742 K768 | D139-S142 PolarHBondContact O-N 2.75Å; D139-S142 PolarHBondContact OD2-OG 3.41Å; S142-Q742 PolarHBondContact OG-NE2 2.96Å; S142-K768 WeakPolarHBondContact O-CE 3.47Å; S142-K768 PolarHBondContact O-NZ 3.47Å |
| 143 | G | 85.8 | Confident | 87.7 | Confident | 8 Ų | 8 | 12.7 Ų | 12.7 | 8% | 0.082 | 7% | 0.069 | C | C | . | . | trans | 69.9 | -160.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H30 V138 D139 C145 | H30-G143 PolarHBondContact CE1-O 3.34Å; V138-G143 WeakPolarHBondContact CG1-O 3.5Å; D139-G143 WeakPolarHBondContact O-CA 3.3Å; D139-G143 PolarHBondContact O-N 3.19Å; G143-C145 PolarHBondContact O-N 2.93Å; G143-C145 PolarHBondContact O-SG 3.04Å | ||
| 144 | V | 83.6 | Confident | 87.2 | Confident | 25 Ų | 25 | 13.8 Ų | 13.8 | 15% | 0.152 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -69.5 | 127.2 | 179.1 | -173 | 0 | 0 | 0 | 0 | 109.7 | T148 V190 N193 V194 I197 | V144-T148 HydrophobicContact CG1-CG2 4.05Å; V144-V190 HydrophobicContact CG2-CG1 4.09Å; V144-N193 HydrophobicContact CB-CB 4.45Å; V144-N193 HydrophobicContact CG2-CB 3.87Å; V144-V194 HydrophobicContact CG2-CG2 3.58Å; V144-I197 HydrophobicContact CG1-CD1 4.09Å |
| 145 | C | 78.8 | Confident | 87 | Confident | 5 Ų | 5 | 13.8 Ų | 13.8 | 3% | 0.034 | 7% | 0.074 | C | C | . | . | trans | -119.4 | 167.8 | 177.1 | -57.4 | 0 | 0 | 0 | 0 | 109.6 | H27 G143 Q147 T148 E149 | H27-C145 HydrophobicContact CB-CB 4.39Å; G143-C145 PolarHBondContact O-N 2.93Å; G143-C145 PolarHBondContact O-SG 3.04Å; C145-Q147 VanDerWaalsContact C-N 3.31Å; C145-Q147 PolarHBondContact O-N 2.91Å; C145-T148 WeakPolarHBondContact O-CA 3.3Å; C145-T148 VanDerWaalsContact O-CB 3.27Å; C145-T148 WeakPolarHBondContact O-CB 3.47Å; C145-T148 PolarHBondContact O-N 3.05Å; C145-E149 PolarHBondContact O-N 3.05Å; C145-E149 VanDerWaalsContact O-N 3.09Å | ||
| 146 | V | 72.9 | Confident | 86.7 | Confident | 19 Ų | 19 | 13.9 Ų | 13.9 | 12% | 0.115 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.6 | -39.2 | -173 | 160.3 | 0 | 0 | 0 | 0 | 113.7 | E149 T150 E740 | V146-E149 PolarHBondContact O-N 3.08Å; V146-T150 WeakPolarHBondContact O-CB 3.49Å; V146-T150 PolarHBondContact O-N 2.93Å; V146-T150 PolarHBondContact O-OG1 2.86Å; V146-E740 WeakPolarHBondContact CB-OE1 3.37Å; V146-E740 VanDerWaalsContact CG2-CD 3.4Å; V146-E740 WeakPolarHBondContact CG2-OE2 3.12Å; V146-E740 PolarHBondContact N-OE1 2.79Å |
| 147 | Q | 78.9 | Confident | 86.1 | Confident | 3 Ų | 3 | 18 Ų | 18 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.4 | -33.5 | 175.3 | -65.4 | -59.5 | -45 | 0 | 0 | 113.1 | H27 C145 E149 T150 V151 Q803 | H27-Q147 HydrophobicContact CB-CB 4.18Å; H27-Q147 WeakPolarHBondContact ND1-CB 3.35Å; C145-Q147 VanDerWaalsContact C-N 3.31Å; C145-Q147 PolarHBondContact O-N 2.91Å; Q147-E149 VanDerWaalsContact C-N 3.26Å; Q147-E149 PolarHBondContact O-N 3.5Å; Q147-T150 PolarHBondContact O-N 2.66Å; Q147-V151 WeakPolarHBondContact O-CG1 3.4Å; Q147-V151 VanDerWaalsContact O-CG2 3.24Å; Q147-V151 WeakPolarHBondContact O-CG2 3.5Å; Q147-V151 PolarHBondContact O-N 3.14Å; Q147-Q803 VanDerWaalsContact CG-CD 3.48Å |
| 148 | T | 85.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.2 | -44.7 | 172.7 | -56.3 | 0 | 0 | 0 | 0 | 110 | H27 V136 V138 V144 C145 L152 | H27-T148 WeakPolarHBondContact CB-OG1 3.45Å; V136-T148 HydrophobicContact CG1-CG2 4.13Å; V138-T148 HydrophobicContact CG2-CG2 3.75Å; V144-T148 HydrophobicContact CG1-CG2 4.05Å; C145-T148 WeakPolarHBondContact O-CA 3.3Å; C145-T148 VanDerWaalsContact O-CB 3.27Å; C145-T148 WeakPolarHBondContact O-CB 3.47Å; C145-T148 PolarHBondContact O-N 3.05Å; T148-L152 WeakPolarHBondContact O-CB 3.4Å; T148-L152 PolarHBondContact O-N 2.98Å |
| 149 | E | 83.6 | Confident | 85.8 | Confident | 59 Ų | 59 | 21.3 Ų | 21.3 | 28% | 0.276 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 174.8 | 177.8 | 177 | 179.2 | 0 | 0 | 111.5 | C145 V146 Q147 V151 L152 R153 I197 | C145-E149 PolarHBondContact O-N 3.05Å; C145-E149 VanDerWaalsContact O-N 3.09Å; V146-E149 PolarHBondContact O-N 3.08Å; Q147-E149 VanDerWaalsContact C-N 3.26Å; Q147-E149 PolarHBondContact O-N 3.5Å; E149-V151 PolarHBondContact O-N 3.05Å; E149-L152 PolarHBondContact O-N 3.5Å; E149-R153 HydrophobicContact CG-CG 4.25Å; E149-R153 VanDerWaalsContact CG-NE 3.34Å; E149-R153 WeakPolarHBondContact O-CB 3.49Å; E149-R153 VanDerWaalsContact O-CG 3.24Å; E149-R153 WeakPolarHBondContact O-CG 3.3Å; E149-R153 PolarHBondContact O-N 3.08Å; E149-R153 IonicContact OE1-CZ 2.67Å; E149-R153 IonicContact OE1-NE 3.8Å; E149-R153 PolarHBondContact OE1-NE 2.99Å; E149-R153 IonicContact OE1-NH2 2.84Å; E149-R153 PolarHBondContact OE1-NH2 3.43Å; E149-I197 HydrophobicContact CB-CD1 3.87Å; E149-I197 HydrophobicContact CG-CD1 3.76Å; E149-I197 HydrophobicContact CG-CG1 4.19Å; E149-I197 HydrophobicContact CG-CG2 4.47Å |
| 150 | T | 81.9 | Confident | 85.9 | Confident | 31 Ų | 31 | 21 Ų | 21 | 19% | 0.19 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.3 | -51 | -178.8 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | V146 Q147 L152 R153 Q154 | V146-T150 WeakPolarHBondContact O-CB 3.49Å; V146-T150 PolarHBondContact O-N 2.93Å; V146-T150 PolarHBondContact O-OG1 2.86Å; Q147-T150 PolarHBondContact O-N 2.66Å; T150-L152 VanDerWaalsContact C-N 3.34Å; T150-L152 PolarHBondContact O-N 2.97Å; T150-R153 PolarHBondContact O-N 2.72Å; T150-Q154 VanDerWaalsContact O-CG 3.32Å; T150-Q154 WeakPolarHBondContact O-CG 3.33Å; T150-Q154 PolarHBondContact O-N 3.47Å |
| 151 | V | 89.6 | Confident | 86.3 | Confident | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.6 | -32.1 | -179.6 | -57.8 | 0 | 0 | 0 | 0 | 112 | I25 V124 Q147 E149 A155 | I25-V151 HydrophobicContact CB-CB 4.15Å; I25-V151 HydrophobicContact CB-CG2 3.82Å; I25-V151 HydrophobicContact CD1-CB 4.42Å; I25-V151 HydrophobicContact CD1-CG2 4.11Å; I25-V151 HydrophobicContact CG1-CG2 4.09Å; V124-V151 HydrophobicContact CG1-CB 4.37Å; V124-V151 HydrophobicContact CG1-CG1 4.17Å; Q147-V151 WeakPolarHBondContact O-CG1 3.4Å; Q147-V151 VanDerWaalsContact O-CG2 3.24Å; Q147-V151 WeakPolarHBondContact O-CG2 3.5Å; Q147-V151 PolarHBondContact O-N 3.14Å; E149-V151 PolarHBondContact O-N 3.05Å; V151-A155 WeakPolarHBondContact O-CB 3.46Å; V151-A155 PolarHBondContact O-N 3.2Å |
| 152 | L | 91.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.9 | -46.2 | 173.1 | 178.4 | 60.1 | 0 | 0 | 0 | 111.3 | V136 T148 E149 T150 Q154 A155 L156 P162 V194 I197 I198 | V136-L152 HydrophobicContact CG2-CD1 4.04Å; T148-L152 WeakPolarHBondContact O-CB 3.4Å; T148-L152 PolarHBondContact O-N 2.98Å; E149-L152 PolarHBondContact O-N 3.5Å; T150-L152 VanDerWaalsContact C-N 3.34Å; T150-L152 PolarHBondContact O-N 2.97Å; L152-Q154 VanDerWaalsContact C-N 3.31Å; L152-Q154 PolarHBondContact O-N 3.09Å; L152-A155 WeakPolarHBondContact O-CB 3.09Å; L152-A155 PolarHBondContact O-N 3.45Å; L152-A155 VanDerWaalsContact O-N 3.15Å; L152-L156 HydrophobicContact CD1-CD1 4.13Å; L152-L156 HydrophobicContact CD1-CG 4.19Å; L152-L156 HydrophobicContact CG-CD1 3.97Å; L152-L156 HydrophobicContact CG-CG 4.46Å; L152-L156 VanDerWaalsContact O-CG 3.28Å; L152-L156 WeakPolarHBondContact O-CG 3.3Å; L152-L156 PolarHBondContact O-N 2.95Å; L152-P162 HydrophobicContact CD1-CB 4.03Å; L152-P162 HydrophobicContact CD1-CG 4.3Å; L152-V194 HydrophobicContact CD2-CG1 3.73Å; L152-I197 HydrophobicContact CD2-CB 4.04Å; L152-I197 HydrophobicContact CD2-CD1 4.24Å; L152-I197 HydrophobicContact CD2-CG2 3.84Å; L152-I197 HydrophobicContact CG-CG2 4.17Å; L152-I198 HydrophobicContact CD2-CG1 4.45Å |
| 153 | R | 87.3 | Confident | 87.7 | Confident | 61 Ų | 61 | 21 Ų | 21 | 23% | 0.23 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 175.1 | -72.5 | 179.5 | 178.7 | -72.2 | -3.7 | 111.7 | E149 T150 L156 T157 I197 E200 F201 | E149-R153 HydrophobicContact CG-CG 4.25Å; E149-R153 VanDerWaalsContact CG-NE 3.34Å; E149-R153 WeakPolarHBondContact O-CB 3.49Å; E149-R153 VanDerWaalsContact O-CG 3.24Å; E149-R153 WeakPolarHBondContact O-CG 3.3Å; E149-R153 PolarHBondContact O-N 3.08Å; E149-R153 IonicContact OE1-CZ 2.67Å; E149-R153 IonicContact OE1-NE 3.8Å; E149-R153 PolarHBondContact OE1-NE 2.99Å; E149-R153 IonicContact OE1-NH2 2.84Å; E149-R153 PolarHBondContact OE1-NH2 3.43Å; T150-R153 PolarHBondContact O-N 2.72Å; R153-L156 PolarHBondContact O-N 3.41Å; R153-T157 VanDerWaalsContact O-CB 3.28Å; R153-T157 WeakPolarHBondContact O-CB 3.37Å; R153-T157 PolarHBondContact O-N 3.33Å; R153-T157 PolarHBondContact O-OG1 3.45Å; R153-I197 HydrophobicContact CG-CG2 3.86Å; R153-E200 IonicContact CZ-OE1 3.9Å; R153-E200 IonicContact CZ-OE2 3.02Å; R153-E200 IonicContact NH1-OE2 2.89Å; R153-E200 PolarHBondContact NH1-OE2 3.35Å; R153-E200 VanDerWaalsContact NH2-CD 3.27Å; R153-E200 IonicContact NH2-OE1 3.8Å; R153-E200 PolarHBondContact NH2-OE1 3.32Å; R153-E200 IonicContact NH2-OE2 3.73Å; R153-E200 PolarHBondContact NH2-OE2 2.75Å; R153-F201 HydrophobicContact CB-CE2 4.33Å; R153-F201 HydrophobicContact CB-CZ 4.06Å; R153-F201 HydrophobicContact CG-CE2 3.91Å; R153-F201 HydrophobicContact CG-CZ 4.06Å |
| 154 | Q | 87.1 | Confident | 88.3 | Confident | 22 Ų | 22 | 20.6 Ų | 20.6 | 10% | 0.103 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 172.4 | -74.6 | 179.5 | 7.5 | 0 | 0 | 111.3 | L128 T150 L152 L156 T157 E158 S492 | L128-Q154 HydrophobicContact CD1-CB 3.88Å; T150-Q154 VanDerWaalsContact O-CG 3.32Å; T150-Q154 WeakPolarHBondContact O-CG 3.33Å; T150-Q154 PolarHBondContact O-N 3.47Å; L152-Q154 VanDerWaalsContact C-N 3.31Å; L152-Q154 PolarHBondContact O-N 3.09Å; Q154-L156 PolarHBondContact O-N 3.13Å; Q154-T157 PolarHBondContact O-N 2.93Å; Q154-E158 WeakPolarHBondContact O-CB 3.18Å; Q154-E158 WeakPolarHBondContact O-CG 3.41Å; Q154-E158 PolarHBondContact O-N 3.21Å; Q154-S492 PolarHBondContact NE2-OG 3.13Å |
| 155 | A | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I25 L128 A134 V151 L152 T157 E158 R159 I160 | I25-A155 HydrophobicContact CD1-CB 3.84Å; L128-A155 HydrophobicContact CD1-CB 4.09Å; L128-A155 HydrophobicContact CD2-CB 3.81Å; A134-A155 HydrophobicContact CB-CB 4.45Å; V151-A155 WeakPolarHBondContact O-CB 3.46Å; V151-A155 PolarHBondContact O-N 3.2Å; L152-A155 WeakPolarHBondContact O-CB 3.09Å; L152-A155 PolarHBondContact O-N 3.45Å; L152-A155 VanDerWaalsContact O-N 3.15Å; A155-T157 PolarHBondContact O-N 2.9Å; A155-E158 CarbonylContact O-C 3.58Å; A155-E158 PolarHBondContact O-N 3.1Å; A155-R159 PolarHBondContact O-N 3.03Å; A155-I160 HydrophobicContact CB-CB 4.06Å; A155-I160 HydrophobicContact CB-CG2 4.41Å; A155-I160 WeakPolarHBondContact O-CA 3.38Å; A155-I160 WeakPolarHBondContact O-CB 3.43Å; A155-I160 WeakPolarHBondContact O-CG1 3.19Å; A155-I160 PolarHBondContact O-N 2.97Å |
| 156 | L | 91.2 | Very high | 89.8 | Confident | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 179.5 | -67.4 | 169.5 | 0 | 0 | 0 | 112.2 | L152 R153 Q154 E158 R159 P162 I197 I198 F201 L211 | L152-L156 HydrophobicContact CD1-CD1 4.13Å; L152-L156 HydrophobicContact CD1-CG 4.19Å; L152-L156 HydrophobicContact CG-CD1 3.97Å; L152-L156 HydrophobicContact CG-CG 4.46Å; L152-L156 VanDerWaalsContact O-CG 3.28Å; L152-L156 WeakPolarHBondContact O-CG 3.3Å; L152-L156 PolarHBondContact O-N 2.95Å; R153-L156 PolarHBondContact O-N 3.41Å; Q154-L156 PolarHBondContact O-N 3.13Å; L156-E158 VanDerWaalsContact C-N 3.3Å; L156-E158 PolarHBondContact O-N 2.8Å; L156-R159 WeakPolarHBondContact O-CA 3.43Å; L156-R159 PolarHBondContact O-N 3.33Å; L156-P162 HydrophobicContact CD2-CG 4.32Å; L156-I197 HydrophobicContact CD1-CG2 4.43Å; L156-I198 HydrophobicContact CD1-CG1 4.08Å; L156-I198 HydrophobicContact CD2-CG1 4.43Å; L156-F201 HydrophobicContact CB-CB 4.24Å; L156-F201 HydrophobicContact CB-CD1 3.93Å; L156-F201 HydrophobicContact CB-CD2 4.01Å; L156-F201 HydrophobicContact CB-CE1 4.28Å; L156-F201 HydrophobicContact CB-CE2 4.36Å; L156-F201 HydrophobicContact CB-CG 3.78Å; L156-F201 HydrophobicContact CB-CZ 4.49Å; L156-F201 HydrophobicContact CD1-CB 4.42Å; L156-F201 HydrophobicContact CD1-CD2 3.57Å; L156-F201 HydrophobicContact CD1-CE2 4.04Å; L156-F201 HydrophobicContact CD1-CG 4.08Å; L156-F201 HydrophobicContact CG-CD2 4.42Å; L156-L211 HydrophobicContact CD2-CD1 3.88Å |
| 157 | T | 85.7 | Confident | 90.9 | Very high | 87 Ų | 87 | 18.4 Ų | 18.4 | 53% | 0.534 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -63.3 | -37.6 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | R153 Q154 A155 R159 F201 | R153-T157 VanDerWaalsContact O-CB 3.28Å; R153-T157 WeakPolarHBondContact O-CB 3.37Å; R153-T157 PolarHBondContact O-N 3.33Å; R153-T157 PolarHBondContact O-OG1 3.45Å; Q154-T157 PolarHBondContact O-N 2.93Å; A155-T157 PolarHBondContact O-N 2.9Å; T157-R159 PolarHBondContact O-N 3.32Å; T157-F201 WeakPolarHBondContact OG1-CE1 3.5Å |
| 158 | E | 89.7 | Confident | 91.6 | Very high | 16 Ų | 16 | 20.8 Ų | 20.8 | 8% | 0.075 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 8.5 | 174.6 | -72.8 | -67.9 | 157.1 | 0 | 0 | 113.6 | L128 R129 Q154 A155 L156 I160 R360 M363 | L128-E158 HydrophobicContact CB-CB 4.5Å; L128-E158 HydrophobicContact CB-CG 4.48Å; R129-E158 IonicContact CZ-OE1 2.78Å; R129-E158 IonicContact CZ-OE2 3.35Å; R129-E158 IonicContact NE-OE1 3.53Å; R129-E158 PolarHBondContact NE-OE1 2.84Å; R129-E158 IonicContact NE-OE2 3.41Å; R129-E158 PolarHBondContact NE-OE2 2.83Å; R129-E158 IonicContact NH2-OE1 2.88Å; R129-E158 PolarHBondContact NH2-OE1 3.3Å; R129-E158 IonicContact NH2-OE2 3.22Å; R129-E158 PolarHBondContact NH2-OE2 3.01Å; Q154-E158 WeakPolarHBondContact O-CB 3.18Å; Q154-E158 WeakPolarHBondContact O-CG 3.41Å; Q154-E158 PolarHBondContact O-N 3.21Å; A155-E158 CarbonylContact O-C 3.58Å; A155-E158 PolarHBondContact O-N 3.1Å; L156-E158 VanDerWaalsContact C-N 3.3Å; L156-E158 PolarHBondContact O-N 2.8Å; E158-I160 HydrophobicContact CB-CD1 4.48Å; E158-I160 HydrophobicContact CB-CG1 3.81Å; E158-R360 PolarHBondContact O-NE 3.26Å; E158-R360 VanDerWaalsContact O-NE 3.13Å; E158-R360 PolarHBondContact O-NH2 2.66Å; E158-M363 VanDerWaalsContact O-CE 3.22Å; E158-M363 WeakPolarHBondContact O-CE 3.45Å |
| 159 | R | 92.9 | Very high | 92 | Very high | 52 Ų | 52 | 20.8 Ų | 20.8 | 20% | 0.196 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 49.5 | -175.1 | -62.2 | -177 | -178.7 | -178.3 | -0 | 111.5 | A155 L156 T157 M208 Y359 R360 E362 | A155-R159 PolarHBondContact O-N 3.03Å; L156-R159 WeakPolarHBondContact O-CA 3.43Å; L156-R159 PolarHBondContact O-N 3.33Å; T157-R159 PolarHBondContact O-N 3.32Å; R159-M208 WeakPolarHBondContact CA-SD 3.2Å; R159-M208 HydrophobicContact CB-CE 4.15Å; R159-M208 HydrophobicContact CB-CG 4.19Å; R159-M208 HydrophobicContact CB-SD 3.75Å; R159-M208 HydrophobicContact CG-CE 4.26Å; R159-M208 HydrophobicContact CG-SD 4.44Å; R159-Y359 HydrophobicContact CB-CD2 4.15Å; R159-Y359 HydrophobicContact CB-CE2 4.1Å; R159-Y359 PolarHBondContact NH1-O 3.21Å; R159-Y359 WeakPolarHBondContact O-CE2 3.37Å; R159-R360 HydrophobicContact CB-CG 4.03Å; R159-R360 WeakPolarHBondContact O-CD 3.38Å; R159-E362 IonicContact CZ-OE2 3.37Å; R159-E362 IonicContact NH1-OE2 3.32Å; R159-E362 PolarHBondContact NH1-OE2 3.48Å; R159-E362 IonicContact NH2-OE2 3.85Å; R159-E362 PolarHBondContact NH2-OE2 2.88Å; R159-E362 VanDerWaalsContact NH2-OE2 3.1Å |
| 160 | I | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -103.7 | 128.1 | 178.7 | -55 | -58.8 | 0 | 0 | 0 | 109.8 | L128 T131 A134 A155 E158 P162 | L128-I160 HydrophobicContact CB-CG1 4.38Å; L128-I160 HydrophobicContact CD2-CB 4.49Å; L128-I160 HydrophobicContact CD2-CG1 4.19Å; L128-I160 HydrophobicContact CD2-CG2 4.21Å; L128-I160 WeakPolarHBondContact O-CD1 3.31Å; T131-I160 WeakPolarHBondContact O-CD1 3.3Å; A134-I160 HydrophobicContact CB-CG2 3.77Å; A155-I160 HydrophobicContact CB-CB 4.06Å; A155-I160 HydrophobicContact CB-CG2 4.41Å; A155-I160 WeakPolarHBondContact O-CA 3.38Å; A155-I160 WeakPolarHBondContact O-CB 3.43Å; A155-I160 WeakPolarHBondContact O-CG1 3.19Å; A155-I160 PolarHBondContact O-N 2.97Å; E158-I160 HydrophobicContact CB-CD1 4.48Å; E158-I160 HydrophobicContact CB-CG1 3.81Å; I160-P162 WeakPolarHBondContact O-CD 3.29Å |
| 161 | K | 95.6 | Very high | 92.6 | Very high | 41 Ų | 41 | 20.5 Ų | 20.5 | 18% | 0.178 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 122.9 | -179 | -170.1 | 176 | -174.6 | -171.5 | 0 | 111.4 | D132 G133 A134 L211 H349 L350 P351 | D132-K161 PolarHBondContact O-N 3.04Å; G133-K161 CarbonylContact C-O 3.57Å; G133-K161 WeakPolarHBondContact CA-O 3.41Å; A134-K161 PolarHBondContact N-O 3.34Å; K161-L211 HydrophobicContact CG-CD2 3.96Å; K161-H349 WeakPolarHBondContact CD-O 3.19Å; K161-H349 WeakPolarHBondContact CE-O 3.12Å; K161-H349 PolarHBondContact NZ-O 2.77Å; K161-L350 VanDerWaalsContact O-CD2 3.32Å; K161-L350 WeakPolarHBondContact O-CD2 3.27Å; K161-P351 HydrophobicContact CB-CG 4.15Å; K161-P351 HydrophobicContact CD-CG 4.49Å |
| 162 | P | 96.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 151.6 | 179 | 33.9 | -33.3 | 0 | 0 | 0 | 112.9 | A134 V136 L152 L156 I160 I198 | A134-P162 CarbonylContact O-C 3.46Å; A134-P162 WeakPolarHBondContact O-CA 3.41Å; V136-P162 HydrophobicContact CG2-CB 3.85Å; L152-P162 HydrophobicContact CD1-CB 4.03Å; L152-P162 HydrophobicContact CD1-CG 4.3Å; L156-P162 HydrophobicContact CD2-CG 4.32Å; I160-P162 WeakPolarHBondContact O-CD 3.29Å; P162-I198 HydrophobicContact CG-CD1 3.98Å |
| 163 | V | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 151.6 | 155.8 | -68.8 | 0 | 0 | 0 | 0 | 108.3 | A134 L135 V136 M345 H349 L350 | A134-V163 PolarHBondContact O-N 3.37Å; L135-V163 HydrophobicContact CB-CG2 4.45Å; L135-V163 HydrophobicContact CD1-CG2 3.71Å; V136-V163 WeakPolarHBondContact CB-O 3.36Å; V136-V163 PolarHBondContact N-O 3.22Å; V163-M345 HydrophobicContact CB-CE 4.49Å; V163-H349 HydrophobicContact CG1-CB 3.75Å; V163-L350 HydrophobicContact CB-CD2 4.42Å; V163-L350 HydrophobicContact CG1-CD2 3.76Å; V163-L350 HydrophobicContact CG1-CG 4.41Å; V163-L350 HydrophobicContact CG2-CD2 4Å; V163-L350 HydrophobicContact CG2-CG 4.36Å |
| 164 | L | 98 | Very high | 92.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.3 | -173 | 173.9 | 66.8 | 0 | 0 | 0 | 111.8 | V136 V138 M166 I191 V194 L213 T219 V220 G221 M345 | V136-L164 HydrophobicContact CB-CD1 4.27Å; V136-L164 HydrophobicContact CG1-CD1 4.18Å; V138-L164 HydrophobicContact CB-CD1 4.04Å; V138-L164 HydrophobicContact CG2-CD1 3.5Å; V138-L164 VanDerWaalsContact CG2-CD1 3.5Å; L164-M166 HydrophobicContact CD1-SD 4.42Å; L164-M166 HydrophobicContact CD2-SD 4.22Å; L164-M166 HydrophobicContact CG-SD 4.34Å; L164-I191 HydrophobicContact CD2-CG1 3.98Å; L164-V194 HydrophobicContact CD1-CG2 4.4Å; L164-V194 HydrophobicContact CD2-CG2 4.3Å; L164-L213 HydrophobicContact CB-CD1 3.62Å; L164-L213 HydrophobicContact CB-CD2 4.5Å; L164-L213 HydrophobicContact CD2-CD1 4.07Å; L164-L213 HydrophobicContact CG-CD1 4.43Å; L164-T219 PolarHBondContact N-O 3.29Å; L164-V220 HydrophobicContact CB-CG1 4.44Å; L164-V220 HydrophobicContact CB-CG2 4.37Å; L164-V220 HydrophobicContact CD2-CG1 4.16Å; L164-V220 HydrophobicContact CD2-CG2 4.45Å; L164-V220 HydrophobicContact CG-CG1 4.28Å; L164-V220 CarbonylContact O-C 3.48Å; L164-V220 VanDerWaalsContact O-CA 3.28Å; L164-V220 WeakPolarHBondContact O-CA 3.17Å; L164-G221 PolarHBondContact O-N 3.16Å; L164-M345 WeakPolarHBondContact O-CE 3.36Å |
| 165 | F | 97.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.9 | 172.2 | -171.3 | -100.1 | 0 | 0 | 0 | 111.6 | L35 L135 V136 V137 V138 N167 G221 A230 L342 | L35-F165 HydrophobicContact CD1-CD1 3.8Å; L35-F165 HydrophobicContact CD1-CE1 3.37Å; L35-F165 HydrophobicContact CD1-CZ 3.89Å; L35-F165 HydrophobicContact CD2-CB 4.31Å; L35-F165 HydrophobicContact CD2-CD1 3.43Å; L35-F165 VanDerWaalsContact CD2-CD1 3.43Å; L35-F165 HydrophobicContact CD2-CE1 3.95Å; L35-F165 HydrophobicContact CD2-CG 3.94Å; L35-F165 HydrophobicContact CG-CD1 4.28Å; L35-F165 HydrophobicContact CG-CE1 4.32Å; L135-F165 HydrophobicContact CD1-CB 3.91Å; V136-F165 PolarHBondContact O-N 2.92Å; V137-F165 HydrophobicContact CG1-CD1 4.44Å; V138-F165 PolarHBondContact N-O 2.71Å; F165-N167 HydrophobicContact CD1-CB 3.94Å; F165-N167 HydrophobicContact CE1-CB 3.91Å; F165-N167 PolarHBondContact O-N 3.39Å; F165-G221 WeakPolarHBondContact CA-O 3.42Å; F165-A230 HydrophobicContact CE2-CB 3.65Å; F165-A230 HydrophobicContact CZ-CB 3.74Å; F165-L342 HydrophobicContact CD2-CD2 3.48Å; F165-L342 VanDerWaalsContact CD2-CD2 3.48Å; F165-L342 HydrophobicContact CE2-CD2 3.7Å; F165-L342 HydrophobicContact CG-CD2 3.94Å; F165-L342 HydrophobicContact CZ-CD2 4.32Å |
| 166 | M | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 99.5 | 175.9 | -63.6 | -58.5 | -71.9 | 0 | 0 | 109.9 | V138 C140 L164 F187 V190 V220 G221 F222 G223 | V138-M166 HydrophobicContact CB-SD 4.21Å; V138-M166 CarbonylContact O-C 3.47Å; V138-M166 WeakPolarHBondContact O-CA 3.19Å; C140-M166 HydrophobicContact CB-CE 3.8Å; L164-M166 HydrophobicContact CD1-SD 4.42Å; L164-M166 HydrophobicContact CD2-SD 4.22Å; L164-M166 HydrophobicContact CG-SD 4.34Å; M166-F187 HydrophobicContact CB-CE1 4.4Å; M166-F187 HydrophobicContact CE-CD1 3.7Å; M166-F187 HydrophobicContact CE-CE1 4.33Å; M166-F187 HydrophobicContact CG-CD1 4.46Å; M166-V190 HydrophobicContact CE-CB 3.61Å; M166-V190 HydrophobicContact CE-CG1 3.55Å; M166-V190 HydrophobicContact CE-CG2 3.84Å; M166-V190 HydrophobicContact SD-CB 4.12Å; M166-V190 HydrophobicContact SD-CG1 3.48Å; M166-V190 WeakPolarHBondContact SD-CG1 3.39Å; M166-V220 HydrophobicContact CG-CG1 4.36Å; M166-G221 PolarHBondContact N-O 3.44Å; M166-F222 HydrophobicContact CB-CD1 3.59Å; M166-F222 HydrophobicContact CB-CE1 4.18Å; M166-F222 HydrophobicContact CB-CG 4.36Å; M166-F222 HydrophobicContact CG-CD1 3.73Å; M166-F222 HydrophobicContact CG-CE1 3.78Å; M166-G223 PolarHBondContact O-N 2.63Å |
| 167 | N | 95.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 170.3 | -175.4 | -159.5 | 16.5 | 0 | 0 | 0 | 112.8 | H30 G31 V137 V138 C140 F165 M169 G223 S224 G225 | H30-N167 PolarHBondContact O-ND2 2.99Å; G31-N167 WeakPolarHBondContact CA-ND2 3.5Å; G31-N167 PolarHBondContact O-ND2 3.28Å; V137-N167 HydrophobicContact CG1-CB 3.76Å; V138-N167 PolarHBondContact O-N 3.35Å; C140-N167 PolarHBondContact N-O 3.05Å; C140-N167 PolarHBondContact SG-O 3.22Å; F165-N167 HydrophobicContact CD1-CB 3.94Å; F165-N167 HydrophobicContact CE1-CB 3.91Å; F165-N167 PolarHBondContact O-N 3.39Å; N167-M169 VanDerWaalsContact C-N 3.25Å; N167-M169 PolarHBondContact O-N 3.09Å; N167-G223 CarbonylContact C-O 3.56Å; N167-S224 WeakPolarHBondContact OD1-CA 3.03Å; N167-G225 PolarHBondContact OD1-N 3.09Å |
| 168 | K | 93 | Very high | 91.9 | Very high | 52 Ų | 52 | 27.8 Ų | 27.8 | 23% | 0.226 | 14% | 0.144 | C | C | . | . | trans | 58.5 | 30.8 | 178.9 | -50.9 | -165.6 | -162.7 | 160.6 | 0 | 114.6 | D29 D139 D170 M171 A172 G223 | D29-K168 WeakPolarHBondContact O-CE 3.36Å; D29-K168 PolarHBondContact O-NZ 3.41Å; D139-K168 HydrophobicContact CB-CD 4.33Å; D139-K168 WeakPolarHBondContact OD2-CD 3.48Å; D139-K168 WeakPolarHBondContact OD2-CE 3.28Å; D139-K168 IonicContact OD2-NZ 2.68Å; D139-K168 PolarHBondContact OD2-NZ 3.42Å; K168-D170 WeakPolarHBondContact CA-OD1 3.39Å; K168-D170 PolarHBondContact O-N 3.3Å; K168-D170 VanDerWaalsContact O-N 3.13Å; K168-M171 HydrophobicContact CB-CB 4.4Å; K168-M171 HydrophobicContact CB-CG 4.3Å; K168-M171 WeakPolarHBondContact O-CB 3.23Å; K168-M171 PolarHBondContact O-N 3.16Å; K168-A172 PolarHBondContact O-N 3.38Å; K168-G223 PolarHBondContact N-O 2.77Å | ||
| 169 | M | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.1 | -27.2 | 176 | -173.5 | 172.9 | 165.6 | 0 | 0 | 112.3 | N167 M171 A172 V173 L183 F187 F222 G223 W229 F231 L286 I289 | N167-M169 VanDerWaalsContact C-N 3.25Å; N167-M169 PolarHBondContact O-N 3.09Å; M169-M171 VanDerWaalsContact C-N 3.33Å; M169-M171 PolarHBondContact O-N 2.88Å; M169-A172 PolarHBondContact O-N 3.3Å; M169-V173 WeakPolarHBondContact O-CG2 3.38Å; M169-V173 PolarHBondContact O-N 3.45Å; M169-V173 VanDerWaalsContact O-N 3.15Å; M169-L183 HydrophobicContact CE-CD2 4.04Å; M169-L183 HydrophobicContact CG-CD2 4.43Å; M169-F187 HydrophobicContact CE-CZ 4.43Å; M169-F187 HydrophobicContact CG-CZ 4.18Å; M169-F187 HydrophobicContact SD-CE2 4.49Å; M169-F187 HydrophobicContact SD-CZ 3.94Å; M169-F222 HydrophobicContact SD-CB 4.36Å; M169-G223 VanDerWaalsContact CB-O 3.26Å; M169-G223 WeakPolarHBondContact CB-O 3.34Å; M169-G223 PolarHBondContact N-O 3.42Å; M169-W229 HydrophobicContact CB-CH2 4.09Å; M169-W229 HydrophobicContact CB-CZ2 4.23Å; M169-W229 HydrophobicContact CE-CH2 4.03Å; M169-W229 HydrophobicContact CG-CH2 3.9Å; M169-W229 HydrophobicContact CG-CZ2 4.37Å; M169-W229 HydrophobicContact SD-CH2 3.52Å; M169-W229 VanDerWaalsContact SD-CH2 3.52Å; M169-W229 HydrophobicContact SD-CZ3 4.09Å; M169-F231 HydrophobicContact CE-CE1 4.32Å; M169-F231 HydrophobicContact CE-CZ 4.46Å; M169-F231 HydrophobicContact SD-CE1 3.9Å; M169-F231 HydrophobicContact SD-CZ 4.27Å; M169-L286 HydrophobicContact CE-CD2 3.29Å; M169-I289 HydrophobicContact CE-CD1 4.07Å; M169-I289 HydrophobicContact CE-CG2 4.33Å |
| 170 | D | 90.4 | Very high | 92.1 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -37 | 173.5 | 61 | -52.1 | 0 | 0 | 0 | 113.2 | K168 V173 T174 S224 Q227 F293 | K168-D170 WeakPolarHBondContact CA-OD1 3.39Å; K168-D170 PolarHBondContact O-N 3.3Å; K168-D170 VanDerWaalsContact O-N 3.13Å; D170-V173 PolarHBondContact O-N 3.42Å; D170-T174 WeakPolarHBondContact O-CB 3.26Å; D170-T174 WeakPolarHBondContact O-CG2 3.45Å; D170-T174 PolarHBondContact O-N 3.39Å; D170-T174 PolarHBondContact O-OG1 3.09Å; D170-S224 WeakPolarHBondContact OD1-CB 3.44Å; D170-S224 PolarHBondContact OD1-OG 3.45Å; D170-Q227 HydrophobicContact CB-CG 3.76Å; D170-Q227 WeakPolarHBondContact OD2-CG 3.35Å; D170-Q227 PolarHBondContact OD2-NE2 3.5Å; D170-F293 HydrophobicContact CB-CE1 4.5Å; D170-F293 HydrophobicContact CB-CZ 4.33Å |
| 171 | M | 88.7 | Confident | 92 | Very high | 76 Ų | 76 | 34.2 Ų | 34.2 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -69.2 | -39.6 | 177 | -68.1 | -62.7 | -66.3 | 0 | 0 | 111.8 | V141 K168 M169 V173 T175 L176 | V141-M171 HydrophobicContact CG2-CB 4.2Å; K168-M171 HydrophobicContact CB-CB 4.4Å; K168-M171 HydrophobicContact CB-CG 4.3Å; K168-M171 WeakPolarHBondContact O-CB 3.23Å; K168-M171 PolarHBondContact O-N 3.16Å; M169-M171 VanDerWaalsContact C-N 3.33Å; M169-M171 PolarHBondContact O-N 2.88Å; M171-V173 VanDerWaalsContact C-N 3.33Å; M171-V173 PolarHBondContact O-N 3.5Å; M171-T175 HydrophobicContact CE-CG2 3.86Å; M171-T175 VanDerWaalsContact CE-OG1 3.23Å; M171-T175 WeakPolarHBondContact CE-OG1 3.44Å; M171-T175 WeakPolarHBondContact O-CA 3.32Å; M171-T175 WeakPolarHBondContact O-CB 3.5Å; M171-T175 PolarHBondContact O-N 3.23Å; M171-L176 PolarHBondContact O-N 3.24Å |
| 172 | A | 87.9 | Confident | 91.8 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V141 K168 M169 N177 C178 L183 | V141-A172 HydrophobicContact CG2-CB 4.14Å; K168-A172 PolarHBondContact O-N 3.38Å; M169-A172 PolarHBondContact O-N 3.3Å; A172-N177 PolarHBondContact O-N 3.14Å; A172-C178 PolarHBondContact O-N 3.06Å; A172-L183 HydrophobicContact CB-CD1 3.77Å |
| 173 | V | 89.7 | Confident | 91.6 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74.3 | -44.5 | 179.6 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | M169 D170 M171 N177 L183 Y290 F293 | M169-V173 WeakPolarHBondContact O-CG2 3.38Å; M169-V173 PolarHBondContact O-N 3.45Å; M169-V173 VanDerWaalsContact O-N 3.15Å; D170-V173 PolarHBondContact O-N 3.42Å; M171-V173 VanDerWaalsContact C-N 3.33Å; M171-V173 PolarHBondContact O-N 3.5Å; V173-N177 WeakPolarHBondContact O-CA 3.44Å; V173-L183 HydrophobicContact CG2-CD2 4.38Å; V173-Y290 HydrophobicContact CG1-CD1 4.42Å; V173-Y290 HydrophobicContact CG1-CE1 4.23Å; V173-Y290 HydrophobicContact CG1-CE2 4.35Å; V173-Y290 HydrophobicContact CG2-CD2 4.36Å; V173-Y290 HydrophobicContact CG2-CE2 3.66Å; V173-F293 HydrophobicContact CB-CD1 4.44Å; V173-F293 HydrophobicContact CB-CE1 4.34Å; V173-F293 HydrophobicContact CG1-CB 4.23Å; V173-F293 HydrophobicContact CG1-CD1 3.8Å; V173-F293 HydrophobicContact CG1-CD2 4.24Å; V173-F293 HydrophobicContact CG1-CE1 4.18Å; V173-F293 HydrophobicContact CG1-CG 3.84Å |
| 174 | T | 87.3 | Confident | 91.5 | Very high | 62 Ų | 62 | 34.9 Ų | 34.9 | 38% | 0.38 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -95.5 | -41 | -169.4 | 59.9 | 0 | 0 | 0 | 0 | 114.5 | D170 F293 | D170-T174 WeakPolarHBondContact O-CB 3.26Å; D170-T174 WeakPolarHBondContact O-CG2 3.45Å; D170-T174 PolarHBondContact O-N 3.39Å; D170-T174 PolarHBondContact O-OG1 3.09Å; T174-F293 HydrophobicContact CG2-CD1 3.64Å; T174-F293 HydrophobicContact CG2-CE1 3.57Å |
| 175 | T | 84.9 | Confident | 91.2 | Very high | 84 Ų | 84 | 37.6 Ų | 37.6 | 52% | 0.515 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -45.8 | -172.7 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | M171 | M171-T175 HydrophobicContact CE-CG2 3.86Å; M171-T175 VanDerWaalsContact CE-OG1 3.23Å; M171-T175 WeakPolarHBondContact CE-OG1 3.44Å; M171-T175 WeakPolarHBondContact O-CA 3.32Å; M171-T175 WeakPolarHBondContact O-CB 3.5Å; M171-T175 PolarHBondContact O-N 3.23Å |
| 176 | L | 83.2 | Confident | 90.9 | Very high | 57 Ų | 57 | 38.3 Ų | 38.3 | 30% | 0.298 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -84.3 | -17.3 | 177.1 | -61.9 | -176.2 | 0 | 0 | 0 | 113.4 | V141 M171 C178 | V141-L176 HydrophobicContact CB-CD1 4.2Å; V141-L176 HydrophobicContact CG1-CD1 3.64Å; V141-L176 HydrophobicContact CG2-CD1 3.69Å; M171-L176 PolarHBondContact O-N 3.24Å; L176-C178 PolarHBondContact O-N 3.06Å |
| 177 | N | 86.7 | Confident | 90.8 | Very high | 114 Ų | 114 | 38.3 Ų | 38.3 | 61% | 0.61 | 20% | 0.199 | S | C | * | . | trans | 49.9 | 38.7 | -173.4 | -63.8 | -65.6 | 0 | 0 | 0 | 112.6 | A172 V173 D179 | A172-N177 PolarHBondContact O-N 3.14Å; V173-N177 WeakPolarHBondContact O-CA 3.44Å; N177-D179 PolarHBondContact O-N 3.42Å | ||
| 178 | C | 89.1 | Confident | 90.8 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | trans | -58 | 136.8 | 179.1 | -70.4 | 0 | 0 | 0 | 0 | 110 | A172 L176 E182 L183 K186 Y290 | A172-C178 PolarHBondContact O-N 3.06Å; L176-C178 PolarHBondContact O-N 3.06Å; C178-E182 WeakPolarHBondContact CA-OE2 3.46Å; C178-E182 PolarHBondContact SG-OE1 2.86Å; C178-L183 HydrophobicContact CB-CB 4.33Å; C178-K186 PolarHBondContact SG-NZ 2.83Å; C178-Y290 WeakPolarHBondContact O-CE1 3.22Å; C178-Y290 PolarHBondContact O-OH 2.79Å | ||
| 179 | D | 92.4 | Very high | 90.8 | Very high | 95 Ų | 95 | 42.2 Ų | 42.2 | 51% | 0.508 | 21% | 0.214 | S | C | . | . | trans | -71.2 | 164.5 | 169.4 | 79.2 | 52.3 | 0 | 0 | 0 | 110.7 | N177 E181 E182 L183 | N177-D179 PolarHBondContact O-N 3.42Å; D179-E181 VanDerWaalsContact C-N 3.32Å; D179-E181 PolarHBondContact O-N 2.93Å; D179-E181 WeakPolarHBondContact OD1-CA 3.25Å; D179-E181 PolarHBondContact OD1-N 2.89Å; D179-E182 PolarHBondContact N-OE2 3.41Å; D179-E182 PolarHBondContact O-N 3.38Å; D179-E182 WeakPolarHBondContact OD1-CB 3.46Å; D179-E182 PolarHBondContact OD1-N 3.27Å; D179-L183 WeakPolarHBondContact O-CB 3.28Å; D179-L183 PolarHBondContact O-N 3.36Å | ||
| 180 | M | 94.2 | Very high | 90.7 | Very high | 59 Ų | 59 | 42.6 Ų | 42.6 | 29% | 0.291 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65 | -34.7 | -174.8 | -67.4 | -176.5 | -75.9 | 0 | 0 | 113 | Y184 N282 L286 S287 Y290 | M180-Y184 WeakPolarHBondContact O-CB 3.49Å; M180-Y184 PolarHBondContact O-N 3.09Å; M180-N282 HydrophobicContact CB-CB 4.05Å; M180-N282 PolarHBondContact O-OD1 3.47Å; M180-N282 HydrophobicContact SD-CB 4.42Å; M180-L286 HydrophobicContact CB-CB 4.2Å; M180-L286 HydrophobicContact CB-CD1 3.83Å; M180-L286 HydrophobicContact CG-CB 3.81Å; M180-L286 HydrophobicContact CG-CD1 4.24Å; M180-L286 WeakPolarHBondContact O-CD1 3.29Å; M180-L286 HydrophobicContact SD-CB 3.87Å; M180-S287 PolarHBondContact SD-N 2.96Å; M180-Y290 HydrophobicContact CG-CD1 4.31Å; M180-Y290 HydrophobicContact CG-CD2 4.2Å; M180-Y290 HydrophobicContact CG-CE1 4.24Å; M180-Y290 HydrophobicContact CG-CE2 4.12Å; M180-Y290 HydrophobicContact CG-CG 4.29Å |
| 181 | E | 93 | Very high | 90.9 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -76.7 | -42 | -179.6 | -174.4 | 63.5 | -162.5 | 0 | 0 | 110.3 | D179 L183 Y184 Q185 R279 N282 | D179-E181 VanDerWaalsContact C-N 3.32Å; D179-E181 PolarHBondContact O-N 2.93Å; D179-E181 WeakPolarHBondContact OD1-CA 3.25Å; D179-E181 PolarHBondContact OD1-N 2.89Å; E181-L183 VanDerWaalsContact C-N 3.32Å; E181-L183 PolarHBondContact O-N 2.96Å; E181-Y184 WeakPolarHBondContact O-CB 3.47Å; E181-Y184 PolarHBondContact O-N 3.26Å; E181-Q185 VanDerWaalsContact O-CG 3.24Å; E181-Q185 WeakPolarHBondContact O-CG 3.45Å; E181-Q185 PolarHBondContact O-N 2.86Å; E181-Q185 PolarHBondContact OE1-NE2 3.06Å; E181-R279 IonicContact OE1-CZ 3.97Å; E181-R279 IonicContact OE1-NE 3.09Å; E181-R279 PolarHBondContact OE1-NE 3.04Å; E181-R279 IonicContact OE1-NH2 2.98Å; E181-R279 PolarHBondContact OE1-NH2 3.15Å; E181-R279 IonicContact OE2-CZ 2.75Å; E181-R279 IonicContact OE2-NE 2.86Å; E181-R279 PolarHBondContact OE2-NE 3.16Å; E181-R279 VanDerWaalsContact OE2-NE 3.1Å; E181-R279 IonicContact OE2-NH2 3.39Å; E181-N282 PolarHBondContact OE2-ND2 2.52Å |
| 182 | E | 91.5 | Very high | 91.2 | Very high | 59 Ų | 59 | 43.5 Ų | 43.5 | 28% | 0.276 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.9 | -46.9 | 172.3 | -169.3 | -159.7 | 155.8 | 0 | 0 | 111 | C178 D179 Y184 Q185 K186 | C178-E182 WeakPolarHBondContact CA-OE2 3.46Å; C178-E182 PolarHBondContact SG-OE1 2.86Å; D179-E182 PolarHBondContact N-OE2 3.41Å; D179-E182 PolarHBondContact O-N 3.38Å; D179-E182 WeakPolarHBondContact OD1-CB 3.46Å; D179-E182 PolarHBondContact OD1-N 3.27Å; E182-Y184 PolarHBondContact O-N 3.14Å; E182-Q185 PolarHBondContact O-N 2.83Å; E182-K186 WeakPolarHBondContact O-CG 3.32Å; E182-K186 PolarHBondContact O-N 2.97Å; E182-K186 WeakPolarHBondContact OE1-CE 3.33Å; E182-K186 IonicContact OE1-NZ 2.87Å; E182-K186 PolarHBondContact OE1-NZ 2.88Å |
| 183 | L | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 178 | -175.2 | 57 | 0 | 0 | 0 | 112.2 | M169 A172 V173 C178 D179 E181 K186 F187 L286 Y290 | M169-L183 HydrophobicContact CE-CD2 4.04Å; M169-L183 HydrophobicContact CG-CD2 4.43Å; A172-L183 HydrophobicContact CB-CD1 3.77Å; V173-L183 HydrophobicContact CG2-CD2 4.38Å; C178-L183 HydrophobicContact CB-CB 4.33Å; D179-L183 WeakPolarHBondContact O-CB 3.28Å; D179-L183 PolarHBondContact O-N 3.36Å; E181-L183 VanDerWaalsContact C-N 3.32Å; E181-L183 PolarHBondContact O-N 2.96Å; L183-K186 WeakPolarHBondContact O-CB 3.42Å; L183-K186 PolarHBondContact O-N 2.94Å; L183-F187 HydrophobicContact CD1-CD1 4.3Å; L183-F187 HydrophobicContact CD1-CE1 3.66Å; L183-F187 HydrophobicContact CD1-CE2 4.18Å; L183-F187 HydrophobicContact CD1-CZ 3.58Å; L183-F187 HydrophobicContact CD2-CE2 4.19Å; L183-F187 HydrophobicContact CD2-CZ 3.96Å; L183-F187 HydrophobicContact CG-CD2 4.39Å; L183-F187 HydrophobicContact CG-CE1 4.16Å; L183-F187 HydrophobicContact CG-CE2 3.74Å; L183-F187 HydrophobicContact CG-CZ 3.61Å; L183-F187 WeakPolarHBondContact O-CD2 3.12Å; L183-F187 WeakPolarHBondContact O-CG 3.2Å; L183-F187 PolarHBondContact O-N 2.98Å; L183-L286 HydrophobicContact CB-CD1 4.44Å; L183-L286 HydrophobicContact CD2-CD1 4.42Å; L183-L286 HydrophobicContact CD2-CD2 4.14Å; L183-Y290 HydrophobicContact CD2-CE2 4.21Å |
| 184 | Y | 94.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -46.6 | 173.2 | 171.3 | -89.5 | 0 | 0 | 0 | 111.6 | M180 E181 E182 K186 F187 Q188 W256 G257 R279 F281 | M180-Y184 WeakPolarHBondContact O-CB 3.49Å; M180-Y184 PolarHBondContact O-N 3.09Å; E181-Y184 WeakPolarHBondContact O-CB 3.47Å; E181-Y184 PolarHBondContact O-N 3.26Å; E182-Y184 PolarHBondContact O-N 3.14Å; Y184-K186 VanDerWaalsContact C-N 3.3Å; Y184-K186 PolarHBondContact O-N 3.3Å; Y184-F187 WeakPolarHBondContact O-CB 3.18Å; Y184-F187 PolarHBondContact O-N 2.97Å; Y184-Q188 PolarHBondContact O-N 2.94Å; Y184-Q188 PolarHBondContact OH-OE1 2.85Å; Y184-W256 HydrophobicContact CD2-CE3 4.28Å; Y184-W256 AromaticContact CD2-CH2 3.97Å; Y184-W256 HydrophobicContact CD2-CH2 3.97Å; Y184-W256 AromaticContact CD2-CZ3 3.8Å; Y184-W256 HydrophobicContact CD2-CZ3 3.8Å; Y184-W256 AromaticContact CE2-CD2 3.93Å; Y184-W256 HydrophobicContact CE2-CD2 3.93Å; Y184-W256 AromaticContact CE2-CE3 3.7Å; Y184-W256 HydrophobicContact CE2-CE3 3.7Å; Y184-W256 AromaticContact CE2-CH2 3.7Å; Y184-W256 HydrophobicContact CE2-CH2 3.7Å; Y184-W256 AromaticContact CE2-CZ2 3.92Å; Y184-W256 HydrophobicContact CE2-CZ2 3.92Å; Y184-W256 AromaticContact CE2-CZ3 3.59Å; Y184-W256 HydrophobicContact CE2-CZ3 3.59Å; Y184-G257 WeakPolarHBondContact OH-CA 3.46Å; Y184-G257 PolarHBondContact OH-N 3.27Å; Y184-G257 VanDerWaalsContact OH-N 3.16Å; Y184-R279 VanDerWaalsContact CE1-CZ 3.49Å; Y184-F281 HydrophobicContact CD2-CB 3.84Å; Y184-F281 AromaticContact CD2-CD1 3.64Å; Y184-F281 HydrophobicContact CD2-CD1 3.64Å; Y184-F281 HydrophobicContact CD2-CE1 4.39Å; Y184-F281 AromaticContact CD2-CG 3.88Å; Y184-F281 HydrophobicContact CD2-CG 3.88Å; Y184-F281 HydrophobicContact CE2-CB 4.14Å; Y184-F281 HydrophobicContact CE2-CG 4.41Å; Y184-F281 HydrophobicContact CG-CD1 4.42Å |
| 185 | Q | 92.8 | Very high | 91.9 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 27% | 0.266 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -37.7 | 178.4 | -66.6 | -62.3 | -28.4 | 0 | 0 | 111.6 | E181 E182 Q188 R189 | E181-Q185 VanDerWaalsContact O-CG 3.24Å; E181-Q185 WeakPolarHBondContact O-CG 3.45Å; E181-Q185 PolarHBondContact O-N 2.86Å; E181-Q185 PolarHBondContact OE1-NE2 3.06Å; E182-Q185 PolarHBondContact O-N 2.83Å; Q185-Q188 PolarHBondContact O-N 3.39Å; Q185-R189 WeakPolarHBondContact O-CG 3.26Å; Q185-R189 PolarHBondContact O-N 3.13Å |
| 186 | K | 90.3 | Very high | 92.2 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -48.9 | 172.4 | -78.4 | 173.1 | 170.4 | 166.3 | 0 | 112 | C178 E182 L183 Y184 Q188 R189 V190 D770 | C178-K186 PolarHBondContact SG-NZ 2.83Å; E182-K186 WeakPolarHBondContact O-CG 3.32Å; E182-K186 PolarHBondContact O-N 2.97Å; E182-K186 WeakPolarHBondContact OE1-CE 3.33Å; E182-K186 IonicContact OE1-NZ 2.87Å; E182-K186 PolarHBondContact OE1-NZ 2.88Å; L183-K186 WeakPolarHBondContact O-CB 3.42Å; L183-K186 PolarHBondContact O-N 2.94Å; Y184-K186 VanDerWaalsContact C-N 3.3Å; Y184-K186 PolarHBondContact O-N 3.3Å; K186-Q188 VanDerWaalsContact C-N 3.34Å; K186-Q188 PolarHBondContact O-N 3.06Å; K186-R189 PolarHBondContact O-N 2.62Å; K186-V190 WeakPolarHBondContact O-CG2 3.35Å; K186-V190 PolarHBondContact O-N 3.16Å; K186-V190 VanDerWaalsContact O-N 3.09Å; K186-D770 WeakPolarHBondContact CE-O 3.4Å; K186-D770 HydrophobicContact CG-CB 4.45Å; K186-D770 PolarHBondContact NZ-O 2.75Å |
| 187 | F | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 177.2 | -66 | -25.7 | 0 | 0 | 0 | 111.8 | C140 M166 M169 L183 Y184 R189 V190 I191 F222 W256 F281 L286 | C140-F187 HydrophobicContact CB-CD1 4.11Å; C140-F187 HydrophobicContact CB-CE1 3.58Å; M166-F187 HydrophobicContact CB-CE1 4.4Å; M166-F187 HydrophobicContact CE-CD1 3.7Å; M166-F187 HydrophobicContact CE-CE1 4.33Å; M166-F187 HydrophobicContact CG-CD1 4.46Å; M169-F187 HydrophobicContact CE-CZ 4.43Å; M169-F187 HydrophobicContact CG-CZ 4.18Å; M169-F187 HydrophobicContact SD-CE2 4.49Å; M169-F187 HydrophobicContact SD-CZ 3.94Å; L183-F187 HydrophobicContact CD1-CD1 4.3Å; L183-F187 HydrophobicContact CD1-CE1 3.66Å; L183-F187 HydrophobicContact CD1-CE2 4.18Å; L183-F187 HydrophobicContact CD1-CZ 3.58Å; L183-F187 HydrophobicContact CD2-CE2 4.19Å; L183-F187 HydrophobicContact CD2-CZ 3.96Å; L183-F187 HydrophobicContact CG-CD2 4.39Å; L183-F187 HydrophobicContact CG-CE1 4.16Å; L183-F187 HydrophobicContact CG-CE2 3.74Å; L183-F187 HydrophobicContact CG-CZ 3.61Å; L183-F187 WeakPolarHBondContact O-CD2 3.12Å; L183-F187 WeakPolarHBondContact O-CG 3.2Å; L183-F187 PolarHBondContact O-N 2.98Å; Y184-F187 WeakPolarHBondContact O-CB 3.18Å; Y184-F187 PolarHBondContact O-N 2.97Å; F187-R189 PolarHBondContact O-N 3.04Å; F187-V190 PolarHBondContact O-N 2.8Å; F187-I191 WeakPolarHBondContact O-CD1 3.09Å; F187-I191 VanDerWaalsContact O-CG1 3.29Å; F187-I191 WeakPolarHBondContact O-CG1 3.28Å; F187-I191 PolarHBondContact O-N 3.25Å; F187-F222 HydrophobicContact CB-CE1 3.94Å; F187-F222 HydrophobicContact CD1-CD1 4.12Å; F187-F222 HydrophobicContact CD1-CE1 4.13Å; F187-F222 AromaticContact CD2-CD1 3.85Å; F187-F222 HydrophobicContact CD2-CD1 3.85Å; F187-F222 AromaticContact CD2-CE1 3.69Å; F187-F222 HydrophobicContact CD2-CE1 3.69Å; F187-F222 HydrophobicContact CE1-CD1 4.08Å; F187-F222 AromaticContact CE2-CD1 3.82Å; F187-F222 HydrophobicContact CE2-CD1 3.82Å; F187-F222 HydrophobicContact CE2-CE1 4.16Å; F187-F222 AromaticContact CG-CD1 4Å; F187-F222 HydrophobicContact CG-CD1 4Å; F187-F222 AromaticContact CG-CE1 3.67Å; F187-F222 HydrophobicContact CG-CE1 3.67Å; F187-F222 AromaticContact CZ-CD1 3.94Å; F187-F222 HydrophobicContact CZ-CD1 3.94Å; F187-W256 HydrophobicContact CB-CH2 3.91Å; F187-F281 AromaticContact CD2-CE1 3.78Å; F187-F281 HydrophobicContact CD2-CE1 3.78Å; F187-F281 AromaticContact CD2-CZ 3.95Å; F187-F281 HydrophobicContact CD2-CZ 3.95Å; F187-F281 AromaticContact CE2-CE1 3.81Å; F187-F281 HydrophobicContact CE2-CE1 3.81Å; F187-F281 AromaticContact CE2-CZ 3.92Å; F187-F281 HydrophobicContact CE2-CZ 3.92Å; F187-L286 HydrophobicContact CE2-CD2 4.47Å |
| 188 | Q | 94.7 | Very high | 92.6 | Very high | 49 Ų | 49 | 38 Ų | 38 | 23% | 0.229 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.4 | -49 | 179.4 | 179.2 | 170 | -12.5 | 0 | 0 | 111.8 | Y184 Q185 K186 V190 I191 E192 W256 | Y184-Q188 PolarHBondContact O-N 2.94Å; Y184-Q188 PolarHBondContact OH-OE1 2.85Å; Q185-Q188 PolarHBondContact O-N 3.39Å; K186-Q188 VanDerWaalsContact C-N 3.34Å; K186-Q188 PolarHBondContact O-N 3.06Å; Q188-V190 VanDerWaalsContact C-N 3.35Å; Q188-V190 PolarHBondContact O-N 2.85Å; Q188-I191 PolarHBondContact O-N 2.93Å; Q188-E192 HydrophobicContact CG-CG 4.46Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.48Å; Q188-E192 PolarHBondContact NE2-OE1 3.48Å; Q188-E192 WeakPolarHBondContact O-CG 3.41Å; Q188-E192 PolarHBondContact O-N 2.81Å; Q188-W256 HydrophobicContact CB-CZ2 4.34Å |
| 189 | R | 92.2 | Very high | 92.7 | Very high | 87 Ų | 87 | 40.9 Ų | 40.9 | 33% | 0.328 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.1 | -39.4 | 178.5 | -71.1 | -178.3 | -135.4 | 160.1 | 13.5 | 113.2 | Q185 K186 F187 E192 N193 S769 D770 | Q185-R189 WeakPolarHBondContact O-CG 3.26Å; Q185-R189 PolarHBondContact O-N 3.13Å; K186-R189 PolarHBondContact O-N 2.62Å; F187-R189 PolarHBondContact O-N 3.04Å; R189-E192 PolarHBondContact O-N 2.93Å; R189-N193 WeakPolarHBondContact O-CB 3.45Å; R189-N193 PolarHBondContact O-N 2.83Å; R189-N193 PolarHBondContact O-OD1 2.82Å; R189-S769 PolarHBondContact NH1-OG 2.66Å; R189-D770 IonicContact CZ-OD1 2.83Å; R189-D770 IonicContact CZ-OD2 3.73Å; R189-D770 IonicContact NH1-OD1 2.85Å; R189-D770 PolarHBondContact NH1-OD1 3.21Å; R189-D770 IonicContact NH1-OD2 2.89Å; R189-D770 PolarHBondContact NH1-OD2 3.12Å; R189-D770 IonicContact NH2-OD1 2.9Å; R189-D770 IonicContact NH2-OD2 2.75Å; R189-D770 PolarHBondContact NH2-OD2 3.48Å |
| 190 | V | 92.7 | Very high | 92.1 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | V138 V144 M166 K186 F187 Q188 E192 N193 V194 | V138-V190 HydrophobicContact CB-CG1 4.27Å; V138-V190 HydrophobicContact CG1-CG1 3.68Å; V144-V190 HydrophobicContact CG2-CG1 4.09Å; M166-V190 HydrophobicContact CE-CB 3.61Å; M166-V190 HydrophobicContact CE-CG1 3.55Å; M166-V190 HydrophobicContact CE-CG2 3.84Å; M166-V190 HydrophobicContact SD-CB 4.12Å; M166-V190 HydrophobicContact SD-CG1 3.48Å; M166-V190 WeakPolarHBondContact SD-CG1 3.39Å; K186-V190 WeakPolarHBondContact O-CG2 3.35Å; K186-V190 PolarHBondContact O-N 3.16Å; K186-V190 VanDerWaalsContact O-N 3.09Å; F187-V190 PolarHBondContact O-N 2.8Å; Q188-V190 VanDerWaalsContact C-N 3.35Å; Q188-V190 PolarHBondContact O-N 2.85Å; V190-E192 VanDerWaalsContact C-N 3.35Å; V190-N193 PolarHBondContact O-N 3Å; V190-V194 VanDerWaalsContact O-CG2 3.32Å; V190-V194 WeakPolarHBondContact O-CG2 3.27Å; V190-V194 PolarHBondContact O-N 3.34Å |
| 191 | I | 95.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 177 | -64.8 | 156.3 | 0 | 0 | 0 | 110.5 | L164 F187 Q188 V194 N195 V215 V220 F222 W256 | L164-I191 HydrophobicContact CD2-CG1 3.98Å; F187-I191 WeakPolarHBondContact O-CD1 3.09Å; F187-I191 VanDerWaalsContact O-CG1 3.29Å; F187-I191 WeakPolarHBondContact O-CG1 3.28Å; F187-I191 PolarHBondContact O-N 3.25Å; Q188-I191 PolarHBondContact O-N 2.93Å; I191-V194 PolarHBondContact O-N 3.5Å; I191-N195 WeakPolarHBondContact O-CB 3.41Å; I191-N195 PolarHBondContact O-N 3.24Å; I191-N195 PolarHBondContact O-ND2 2.87Å; I191-V215 HydrophobicContact CD1-CG2 3.38Å; I191-V215 HydrophobicContact CG1-CG2 4.5Å; I191-V220 HydrophobicContact CD1-CG1 4.18Å; I191-V220 HydrophobicContact CG1-CG1 4.21Å; I191-V220 HydrophobicContact CG1-CG2 4.45Å; I191-F222 HydrophobicContact CD1-CZ 4.49Å; I191-W256 HydrophobicContact CD1-CH2 4.06Å; I191-W256 HydrophobicContact CD1-CZ2 3.72Å |
| 192 | E | 94.5 | Very high | 90.4 | Very high | 92 Ų | 92 | 42.7 Ų | 42.7 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.9 | -49.1 | 175.8 | -73.9 | 167.8 | -177 | 0 | 0 | 111.4 | Q188 R189 V190 V194 N195 V196 | Q188-E192 HydrophobicContact CG-CG 4.46Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.48Å; Q188-E192 PolarHBondContact NE2-OE1 3.48Å; Q188-E192 WeakPolarHBondContact O-CG 3.41Å; Q188-E192 PolarHBondContact O-N 2.81Å; R189-E192 PolarHBondContact O-N 2.93Å; V190-E192 VanDerWaalsContact C-N 3.35Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 3.04Å; E192-N195 PolarHBondContact O-N 2.73Å; E192-N195 VanDerWaalsContact O-N 3.15Å; E192-V196 WeakPolarHBondContact O-CG2 3.31Å; E192-V196 PolarHBondContact O-N 2.82Å |
| 193 | N | 91.2 | Very high | 89 | Confident | 87 Ų | 87 | 44.9 Ų | 44.9 | 47% | 0.465 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60 | -41.1 | 178.3 | -72 | -7.1 | 0 | 0 | 0 | 112.6 | V144 R189 V190 V196 I197 | V144-N193 HydrophobicContact CB-CB 4.45Å; V144-N193 HydrophobicContact CG2-CB 3.87Å; R189-N193 WeakPolarHBondContact O-CB 3.45Å; R189-N193 PolarHBondContact O-N 2.83Å; R189-N193 PolarHBondContact O-OD1 2.82Å; V190-N193 PolarHBondContact O-N 3Å; N193-V196 PolarHBondContact O-N 3.22Å; N193-I197 PolarHBondContact O-N 3.01Å |
| 194 | V | 93.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 176.2 | 177 | 0 | 0 | 0 | 0 | 110.7 | V144 L152 L164 V190 I191 E192 V196 I197 I198 L213 | V144-V194 HydrophobicContact CG2-CG2 3.58Å; L152-V194 HydrophobicContact CD2-CG1 3.73Å; L164-V194 HydrophobicContact CD1-CG2 4.4Å; L164-V194 HydrophobicContact CD2-CG2 4.3Å; V190-V194 VanDerWaalsContact O-CG2 3.32Å; V190-V194 WeakPolarHBondContact O-CG2 3.27Å; V190-V194 PolarHBondContact O-N 3.34Å; I191-V194 PolarHBondContact O-N 3.5Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 3.04Å; V194-V196 VanDerWaalsContact C-N 3.34Å; V194-V196 PolarHBondContact O-N 3.01Å; V194-I197 PolarHBondContact O-N 2.91Å; V194-I198 HydrophobicContact CG1-CD1 3.96Å; V194-I198 WeakPolarHBondContact O-CG1 3.36Å; V194-I198 PolarHBondContact O-N 2.84Å; V194-L213 HydrophobicContact CB-CD1 4.24Å; V194-L213 HydrophobicContact CG1-CD1 3.39Å |
| 195 | N | 94.9 | Very high | 85.6 | Confident | 33 Ų | 33 | 56.7 Ų | 56.7 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.8 | -32.3 | 177.9 | -79.1 | -24.7 | 0 | 0 | 0 | 112.9 | I191 E192 I198 S199 L213 | I191-N195 WeakPolarHBondContact O-CB 3.41Å; I191-N195 PolarHBondContact O-N 3.24Å; I191-N195 PolarHBondContact O-ND2 2.87Å; E192-N195 PolarHBondContact O-N 2.73Å; E192-N195 VanDerWaalsContact O-N 3.15Å; N195-I198 PolarHBondContact O-N 3.25Å; N195-S199 WeakPolarHBondContact O-CB 3.28Å; N195-S199 PolarHBondContact O-N 3.21Å; N195-L213 PolarHBondContact ND2-O 2.85Å; N195-L213 WeakPolarHBondContact OD1-CB 3.34Å; N195-L213 PolarHBondContact OD1-N 2.93Å |
| 196 | V | 91.8 | Very high | 84.6 | Confident | 82 Ų | 82 | 55.2 Ų | 55.2 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.7 | -48.7 | 171.4 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | E192 N193 V194 I198 S199 E200 | E192-V196 WeakPolarHBondContact O-CG2 3.31Å; E192-V196 PolarHBondContact O-N 2.82Å; N193-V196 PolarHBondContact O-N 3.22Å; V194-V196 VanDerWaalsContact C-N 3.34Å; V194-V196 PolarHBondContact O-N 3.01Å; V196-I198 VanDerWaalsContact C-N 3.32Å; V196-I198 PolarHBondContact O-N 3.3Å; V196-S199 PolarHBondContact O-N 2.9Å; V196-S199 PolarHBondContact O-OG 3.36Å; V196-E200 PolarHBondContact O-N 3.25Å |
| 197 | I | 86.9 | Confident | 84.2 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 177.5 | -61 | 160.3 | 0 | 0 | 0 | 110.9 | V144 E149 L152 R153 L156 N193 V194 S199 E200 F201 | V144-I197 HydrophobicContact CG1-CD1 4.09Å; E149-I197 HydrophobicContact CB-CD1 3.87Å; E149-I197 HydrophobicContact CG-CD1 3.76Å; E149-I197 HydrophobicContact CG-CG1 4.19Å; E149-I197 HydrophobicContact CG-CG2 4.47Å; L152-I197 HydrophobicContact CD2-CB 4.04Å; L152-I197 HydrophobicContact CD2-CD1 4.24Å; L152-I197 HydrophobicContact CD2-CG2 3.84Å; L152-I197 HydrophobicContact CG-CG2 4.17Å; R153-I197 HydrophobicContact CG-CG2 3.86Å; L156-I197 HydrophobicContact CD1-CG2 4.43Å; N193-I197 PolarHBondContact O-N 3.01Å; V194-I197 PolarHBondContact O-N 2.91Å; I197-S199 VanDerWaalsContact C-N 3.33Å; I197-S199 PolarHBondContact O-N 2.75Å; I197-E200 PolarHBondContact O-N 2.85Å; I197-F201 WeakPolarHBondContact O-CD2 3.26Å |
| 198 | I | 91 | Very high | 83.8 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 177.6 | -68.6 | 168.8 | 0 | 0 | 0 | 111.2 | L152 L156 P162 V194 N195 V196 E200 F201 E202 L211 L213 | L152-I198 HydrophobicContact CD2-CG1 4.45Å; L156-I198 HydrophobicContact CD1-CG1 4.08Å; L156-I198 HydrophobicContact CD2-CG1 4.43Å; P162-I198 HydrophobicContact CG-CD1 3.98Å; V194-I198 HydrophobicContact CG1-CD1 3.96Å; V194-I198 WeakPolarHBondContact O-CG1 3.36Å; V194-I198 PolarHBondContact O-N 2.84Å; N195-I198 PolarHBondContact O-N 3.25Å; V196-I198 VanDerWaalsContact C-N 3.32Å; V196-I198 PolarHBondContact O-N 3.3Å; I198-E200 PolarHBondContact O-N 3.39Å; I198-F201 PolarHBondContact O-N 2.92Å; I198-E202 HydrophobicContact CG2-CG 4.44Å; I198-E202 PolarHBondContact O-N 2.66Å; I198-L211 HydrophobicContact CG2-CB 3.5Å; I198-L211 HydrophobicContact CG2-CD1 4.47Å; I198-L213 HydrophobicContact CD1-CD1 3.84Å; I198-L213 HydrophobicContact CD1-CG 3.77Å |
| 199 | S | 89.5 | Confident | 83.4 | Confident | 62 Ų | 62 | 58.2 Ų | 58.2 | 43% | 0.434 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -26.6 | -177.9 | 75.1 | 0 | 0 | 0 | 0 | 113.4 | N195 V196 I197 F201 E202 | N195-S199 WeakPolarHBondContact O-CB 3.28Å; N195-S199 PolarHBondContact O-N 3.21Å; V196-S199 PolarHBondContact O-N 2.9Å; V196-S199 PolarHBondContact O-OG 3.36Å; I197-S199 VanDerWaalsContact C-N 3.33Å; I197-S199 PolarHBondContact O-N 2.75Å; S199-F201 PolarHBondContact O-N 3.33Å; S199-E202 PolarHBondContact O-N 3.01Å; S199-E202 VanDerWaalsContact O-N 3.16Å |
| 200 | E | 81.5 | Confident | 83.3 | Confident | 111 Ų | 111 | 58.4 Ų | 58.4 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -21.2 | 174.2 | -63.5 | 178.4 | -149.8 | 0 | 0 | 113.1 | R153 V196 I197 I198 | R153-E200 IonicContact CZ-OE1 3.9Å; R153-E200 IonicContact CZ-OE2 3.02Å; R153-E200 IonicContact NH1-OE2 2.89Å; R153-E200 PolarHBondContact NH1-OE2 3.35Å; R153-E200 VanDerWaalsContact NH2-CD 3.27Å; R153-E200 IonicContact NH2-OE1 3.8Å; R153-E200 PolarHBondContact NH2-OE1 3.32Å; R153-E200 IonicContact NH2-OE2 3.73Å; R153-E200 PolarHBondContact NH2-OE2 2.75Å; V196-E200 PolarHBondContact O-N 3.25Å; I197-E200 PolarHBondContact O-N 2.85Å; I198-E200 PolarHBondContact O-N 3.39Å |
| 201 | F | 79.2 | Confident | 83.2 | Confident | 53 Ų | 53 | 58.2 Ų | 58.2 | 23% | 0.232 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -2.7 | 176.6 | -65.1 | -96.5 | 0 | 0 | 0 | 112.6 | R153 L156 T157 I197 I198 S199 V203 | R153-F201 HydrophobicContact CB-CE2 4.33Å; R153-F201 HydrophobicContact CB-CZ 4.06Å; R153-F201 HydrophobicContact CG-CE2 3.91Å; R153-F201 HydrophobicContact CG-CZ 4.06Å; L156-F201 HydrophobicContact CB-CB 4.24Å; L156-F201 HydrophobicContact CB-CD1 3.93Å; L156-F201 HydrophobicContact CB-CD2 4.01Å; L156-F201 HydrophobicContact CB-CE1 4.28Å; L156-F201 HydrophobicContact CB-CE2 4.36Å; L156-F201 HydrophobicContact CB-CG 3.78Å; L156-F201 HydrophobicContact CB-CZ 4.49Å; L156-F201 HydrophobicContact CD1-CB 4.42Å; L156-F201 HydrophobicContact CD1-CD2 3.57Å; L156-F201 HydrophobicContact CD1-CE2 4.04Å; L156-F201 HydrophobicContact CD1-CG 4.08Å; L156-F201 HydrophobicContact CG-CD2 4.42Å; T157-F201 WeakPolarHBondContact OG1-CE1 3.5Å; I197-F201 WeakPolarHBondContact O-CD2 3.26Å; I198-F201 PolarHBondContact O-N 2.92Å; S199-F201 PolarHBondContact O-N 3.33Å; F201-V203 PolarHBondContact O-N 3.33Å |
| 202 | E | 71.3 | Confident | 83.1 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | trans | -79 | 86.1 | 173.1 | -71.6 | -170.8 | 164.4 | 0 | 0 | 110 | I198 S199 T212 | I198-E202 HydrophobicContact CG2-CG 4.44Å; I198-E202 PolarHBondContact O-N 2.66Å; S199-E202 PolarHBondContact O-N 3.01Å; S199-E202 VanDerWaalsContact O-N 3.16Å; E202-T212 PolarHBondContact OE1-OG1 2.76Å | ||
| 203 | V | 62.2 | Low | 83.1 | Confident | 105 Ų | 105 | 56 Ų | 56 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | trans | -78 | 148.2 | 169.8 | -168.3 | 0 | 0 | 0 | 0 | 109.4 | F201 N205 N206 | F201-V203 PolarHBondContact O-N 3.33Å; V203-N205 PolarHBondContact O-N 3.08Å; V203-N206 PolarHBondContact O-N 3.1Å | ||
| 204 | A | 54.7 | Low | 83.3 | Confident | 89 Ų | 89 | 54.4 Ų | 54.4 | 74% | 0.736 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 109.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||
| 205 | N | 62.7 | Low | 83.4 | Confident | 160 Ų | 160 | 54.5 Ų | 54.5 | 86% | 0.856 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 32.5 | -167.9 | -46.8 | -35.3 | 0 | 0 | 0 | 116.6 | V203 P207 | V203-N205 PolarHBondContact O-N 3.08Å; N205-P207 WeakPolarHBondContact O-CD 3.44Å; N205-P207 VanDerWaalsContact O-N 3.08Å |
| 206 | N | 71.7 | Confident | 83.3 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 14% | 0.139 | 33% | 0.325 | C | S | . | . | trans | -52.9 | 116.4 | 168 | -177.8 | -4.5 | 0 | 0 | 0 | 110.2 | V203 M208 G209 L211 | V203-N206 PolarHBondContact O-N 3.1Å; N206-M208 PolarHBondContact O-N 3.31Å; N206-M208 VanDerWaalsContact O-N 3.13Å; N206-M208 WeakPolarHBondContact OD1-CB 3.16Å; N206-M208 PolarHBondContact OD1-N 2.96Å; N206-G209 PolarHBondContact O-N 2.93Å; N206-L211 WeakPolarHBondContact ND2-CD1 3.45Å | ||
| 207 | P | 82 | Confident | 83.3 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 40% | 0.403 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -9 | -174.1 | 34.4 | -40.1 | 0 | 0 | 0 | 112.6 | N205 Y359 | N205-P207 WeakPolarHBondContact O-CD 3.44Å; N205-P207 VanDerWaalsContact O-N 3.08Å; P207-Y359 WeakPolarHBondContact O-CB 3.41Å; P207-Y359 WeakPolarHBondContact O-CD1 3.37Å |
| 208 | M | 86.8 | Confident | 83.7 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -10.9 | 172 | -60.5 | -171.1 | -89.4 | 0 | 0 | 114 | R159 N206 L211 Y359 | R159-M208 WeakPolarHBondContact CA-SD 3.2Å; R159-M208 HydrophobicContact CB-CE 4.15Å; R159-M208 HydrophobicContact CB-CG 4.19Å; R159-M208 HydrophobicContact CB-SD 3.75Å; R159-M208 HydrophobicContact CG-CE 4.26Å; R159-M208 HydrophobicContact CG-SD 4.44Å; N206-M208 PolarHBondContact O-N 3.31Å; N206-M208 VanDerWaalsContact O-N 3.13Å; N206-M208 WeakPolarHBondContact OD1-CB 3.16Å; N206-M208 PolarHBondContact OD1-N 2.96Å; M208-L211 HydrophobicContact CB-CD1 4.36Å; M208-L211 HydrophobicContact CB-CD2 3.91Å; M208-L211 HydrophobicContact CB-CG 4.34Å; M208-L211 HydrophobicContact CE-CD1 3.61Å; M208-L211 HydrophobicContact SD-CD1 4.19Å; M208-L211 HydrophobicContact SD-CD2 4.35Å; M208-Y359 HydrophobicContact CG-CD2 3.75Å; M208-Y359 HydrophobicContact CG-CE2 3.57Å; M208-Y359 HydrophobicContact CG-CG 4.37Å; M208-Y359 HydrophobicContact SD-CE2 4.24Å |
| 209 | G | 86 | Confident | 83.9 | Confident | 42 Ų | 42 | 56 Ų | 56 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | trans | 76.6 | -153 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N206 L211 | N206-G209 PolarHBondContact O-N 2.93Å; G209-L211 PolarHBondContact O-N 3Å | ||
| 210 | D | 88.7 | Confident | 84.3 | Confident | 90 Ų | 90 | 53 Ų | 53 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | trans | -70 | 118.4 | 178.9 | 177.6 | 17 | 0 | 0 | 0 | 111 | T212 K217 | D210-T212 VanDerWaalsContact OD1-CB 3.23Å; D210-T212 WeakPolarHBondContact OD1-CB 3.2Å; D210-T212 PolarHBondContact OD1-N 3.28Å; D210-T212 PolarHBondContact OD1-OG1 3.03Å; D210-K217 IonicContact OD2-NZ 3.81Å; D210-K217 PolarHBondContact OD2-NZ 3.38Å | ||
| 211 | L | 91.8 | Very high | 85 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | trans | -105.5 | -3.7 | 178.6 | -63.8 | -179.1 | 0 | 0 | 0 | 112.6 | L156 K161 I198 N206 M208 G209 L213 | L156-L211 HydrophobicContact CD2-CD1 3.88Å; K161-L211 HydrophobicContact CG-CD2 3.96Å; I198-L211 HydrophobicContact CG2-CB 3.5Å; I198-L211 HydrophobicContact CG2-CD1 4.47Å; N206-L211 WeakPolarHBondContact ND2-CD1 3.45Å; M208-L211 HydrophobicContact CB-CD1 4.36Å; M208-L211 HydrophobicContact CB-CD2 3.91Å; M208-L211 HydrophobicContact CB-CG 4.34Å; M208-L211 HydrophobicContact CE-CD1 3.61Å; M208-L211 HydrophobicContact SD-CD1 4.19Å; M208-L211 HydrophobicContact SD-CD2 4.35Å; G209-L211 PolarHBondContact O-N 3Å; L211-L213 PolarHBondContact O-N 2.74Å | ||
| 212 | T | 92.4 | Very high | 85.9 | Confident | 54 Ų | 54 | 45.2 Ų | 45.2 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | trans | -60.9 | 125.5 | -177 | -66 | 0 | 0 | 0 | 0 | 110.1 | E202 D210 D214 | E202-T212 PolarHBondContact OE1-OG1 2.76Å; D210-T212 VanDerWaalsContact OD1-CB 3.23Å; D210-T212 WeakPolarHBondContact OD1-CB 3.2Å; D210-T212 PolarHBondContact OD1-N 3.28Å; D210-T212 PolarHBondContact OD1-OG1 3.03Å; T212-D214 PolarHBondContact O-N 3.26Å | ||
| 213 | L | 95.7 | Very high | 87.1 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | trans | -77.3 | 121.2 | 175.8 | -60.3 | 172.3 | 0 | 0 | 0 | 109.7 | L164 V194 N195 I198 L211 T219 V220 | L164-L213 HydrophobicContact CB-CD1 3.62Å; L164-L213 HydrophobicContact CB-CD2 4.5Å; L164-L213 HydrophobicContact CD2-CD1 4.07Å; L164-L213 HydrophobicContact CG-CD1 4.43Å; V194-L213 HydrophobicContact CB-CD1 4.24Å; V194-L213 HydrophobicContact CG1-CD1 3.39Å; N195-L213 PolarHBondContact ND2-O 2.85Å; N195-L213 WeakPolarHBondContact OD1-CB 3.34Å; N195-L213 PolarHBondContact OD1-N 2.93Å; I198-L213 HydrophobicContact CD1-CD1 3.84Å; I198-L213 HydrophobicContact CD1-CG 3.77Å; L211-L213 PolarHBondContact O-N 2.74Å; L213-T219 WeakPolarHBondContact CA-OG1 3.24Å; L213-V220 HydrophobicContact CB-CG2 3.99Å | ||
| 214 | D | 94.8 | Very high | 88.6 | Confident | 52 Ų | 52 | 36.6 Ų | 36.6 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | trans | -129.3 | 120.1 | -180 | -177.8 | -8 | 0 | 0 | 0 | 109.8 | T212 A216 K217 G218 T219 | T212-D214 PolarHBondContact O-N 3.26Å; D214-A216 PolarHBondContact O-N 3.02Å; D214-A216 WeakPolarHBondContact OD1-CB 3.15Å; D214-A216 PolarHBondContact OD1-N 3.23Å; D214-K217 HydrophobicContact CB-CB 4.01Å; D214-K217 HydrophobicContact CB-CD 3.83Å; D214-K217 HydrophobicContact CB-CG 3.81Å; D214-K217 PolarHBondContact O-N 3.23Å; D214-G218 PolarHBondContact O-N 2.89Å; D214-T219 PolarHBondContact N-OG1 3.45Å; D214-T219 PolarHBondContact O-N 3.46Å; D214-T219 PolarHBondContact O-OG1 3.31Å | ||
| 215 | V | 95.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -35.7 | 178.7 | -160.1 | 0 | 0 | 0 | 0 | 111.5 | I191 K217 G218 V220 F222 L233 W256 | I191-V215 HydrophobicContact CD1-CG2 3.38Å; I191-V215 HydrophobicContact CG1-CG2 4.5Å; V215-K217 VanDerWaalsContact C-N 3.35Å; V215-G218 PolarHBondContact O-N 3.29Å; V215-V220 HydrophobicContact CB-CB 4.43Å; V215-V220 HydrophobicContact CG1-CB 4.36Å; V215-V220 HydrophobicContact CG2-CB 4.13Å; V215-V220 HydrophobicContact CG2-CG1 4.47Å; V215-V220 HydrophobicContact CG2-CG2 4.17Å; V215-F222 HydrophobicContact CG1-CE2 3.51Å; V215-F222 HydrophobicContact CG1-CZ 3.66Å; V215-F222 HydrophobicContact CG2-CZ 4.42Å; V215-L233 HydrophobicContact CB-CD1 4.08Å; V215-L233 HydrophobicContact CG1-CD1 3.57Å; V215-L233 HydrophobicContact CG1-CD2 4.32Å; V215-L233 HydrophobicContact CG1-CG 3.73Å; V215-W256 HydrophobicContact CB-CD2 3.89Å; V215-W256 HydrophobicContact CB-CE3 4.27Å; V215-W256 HydrophobicContact CB-CG 4.07Å; V215-W256 HydrophobicContact CG1-CD2 4.08Å; V215-W256 HydrophobicContact CG1-CE3 3.94Å; V215-W256 HydrophobicContact CG1-CZ3 4.28Å; V215-W256 HydrophobicContact CG2-CD2 3.85Å; V215-W256 HydrophobicContact CG2-CE3 4.32Å; V215-W256 HydrophobicContact CG2-CG 4.34Å; V215-W256 HydrophobicContact CG2-CH2 4.22Å; V215-W256 HydrophobicContact CG2-CZ2 3.74Å; V215-W256 HydrophobicContact CG2-CZ3 4.48Å |
| 216 | A | 92.8 | Very high | 91.4 | Very high | 31 Ų | 31 | 28.5 Ų | 28.5 | 26% | 0.256 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -25.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | D214 G218 V252 | D214-A216 PolarHBondContact O-N 3.02Å; D214-A216 WeakPolarHBondContact OD1-CB 3.15Å; D214-A216 PolarHBondContact OD1-N 3.23Å; A216-G218 VanDerWaalsContact C-N 3.32Å; A216-V252 VanDerWaalsContact CA-CG1 3.47Å; A216-V252 HydrophobicContact CB-CG1 3.9Å; A216-V252 VanDerWaalsContact O-CG1 3.23Å; A216-V252 WeakPolarHBondContact O-CG1 3.34Å |
| 217 | K | 92.2 | Very high | 92.2 | Very high | 104 Ų | 104 | 29 Ų | 29 | 45% | 0.452 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -19.4 | 171.6 | -67.9 | 179.6 | -166.8 | 164.8 | 0 | 112.4 | D210 D214 V215 T219 H349 | D210-K217 IonicContact OD2-NZ 3.81Å; D210-K217 PolarHBondContact OD2-NZ 3.38Å; D214-K217 HydrophobicContact CB-CB 4.01Å; D214-K217 HydrophobicContact CB-CD 3.83Å; D214-K217 HydrophobicContact CB-CG 3.81Å; D214-K217 PolarHBondContact O-N 3.23Å; V215-K217 VanDerWaalsContact C-N 3.35Å; K217-T219 HydrophobicContact CB-CG2 4.41Å; K217-H349 PolarHBondContact O-CE1 3.02Å; K217-H349 PolarHBondContact O-NE2 3.26Å |
| 218 | G | 94 | Very high | 92.6 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 9% | 0.093 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | 5.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D214 V215 A216 V220 H349 | D214-G218 PolarHBondContact O-N 2.89Å; V215-G218 PolarHBondContact O-N 3.29Å; A216-G218 VanDerWaalsContact C-N 3.32Å; G218-V220 PolarHBondContact O-N 3.35Å; G218-H349 PolarHBondContact O-CD2 2.93Å; G218-H349 VanDerWaalsContact O-CD2 3.28Å; G218-H349 PolarHBondContact O-NE2 3.36Å |
| 219 | T | 95.9 | Very high | 92.9 | Very high | 13 Ų | 13 | 25.1 Ų | 25.1 | 8% | 0.08 | 15% | 0.147 | C | C | . | . | trans | -75.5 | -3.7 | 177 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | L164 L213 D214 K217 H349 | L164-T219 PolarHBondContact N-O 3.29Å; L213-T219 WeakPolarHBondContact CA-OG1 3.24Å; D214-T219 PolarHBondContact N-OG1 3.45Å; D214-T219 PolarHBondContact O-N 3.46Å; D214-T219 PolarHBondContact O-OG1 3.31Å; K217-T219 HydrophobicContact CB-CG2 4.41Å; T219-H349 HydrophobicContact CG2-CB 4.3Å | ||
| 220 | V | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.2 | 176.9 | -171.4 | 0 | 0 | 0 | 0 | 110 | L164 M166 I191 L213 V215 G218 F222 | L164-V220 HydrophobicContact CB-CG1 4.44Å; L164-V220 HydrophobicContact CB-CG2 4.37Å; L164-V220 HydrophobicContact CD2-CG1 4.16Å; L164-V220 HydrophobicContact CD2-CG2 4.45Å; L164-V220 HydrophobicContact CG-CG1 4.28Å; L164-V220 CarbonylContact O-C 3.48Å; L164-V220 VanDerWaalsContact O-CA 3.28Å; L164-V220 WeakPolarHBondContact O-CA 3.17Å; M166-V220 HydrophobicContact CG-CG1 4.36Å; I191-V220 HydrophobicContact CD1-CG1 4.18Å; I191-V220 HydrophobicContact CG1-CG1 4.21Å; I191-V220 HydrophobicContact CG1-CG2 4.45Å; L213-V220 HydrophobicContact CB-CG2 3.99Å; V215-V220 HydrophobicContact CB-CB 4.43Å; V215-V220 HydrophobicContact CG1-CB 4.36Å; V215-V220 HydrophobicContact CG2-CB 4.13Å; V215-V220 HydrophobicContact CG2-CG1 4.47Å; V215-V220 HydrophobicContact CG2-CG2 4.17Å; G218-V220 PolarHBondContact O-N 3.35Å; V220-F222 HydrophobicContact CG1-CE1 4.24Å; V220-F222 HydrophobicContact CG1-CE2 4.27Å; V220-F222 HydrophobicContact CG1-CZ 3.85Å |
| 221 | G | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 159.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L164 F165 M166 F231 M345 | L164-G221 PolarHBondContact O-N 3.16Å; F165-G221 WeakPolarHBondContact CA-O 3.42Å; M166-G221 PolarHBondContact N-O 3.44Å; G221-F231 WeakPolarHBondContact CA-O 3.15Å; G221-M345 VanDerWaalsContact CA-SD 3.55Å |
| 222 | F | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 147.1 | -177.3 | -51.2 | -92.2 | 0 | 0 | 0 | 110.5 | M166 M169 F187 I191 V215 V220 A230 F231 W256 F281 | M166-F222 HydrophobicContact CB-CD1 3.59Å; M166-F222 HydrophobicContact CB-CE1 4.18Å; M166-F222 HydrophobicContact CB-CG 4.36Å; M166-F222 HydrophobicContact CG-CD1 3.73Å; M166-F222 HydrophobicContact CG-CE1 3.78Å; M169-F222 HydrophobicContact SD-CB 4.36Å; F187-F222 HydrophobicContact CB-CE1 3.94Å; F187-F222 HydrophobicContact CD1-CD1 4.12Å; F187-F222 HydrophobicContact CD1-CE1 4.13Å; F187-F222 AromaticContact CD2-CD1 3.85Å; F187-F222 HydrophobicContact CD2-CD1 3.85Å; F187-F222 AromaticContact CD2-CE1 3.69Å; F187-F222 HydrophobicContact CD2-CE1 3.69Å; F187-F222 HydrophobicContact CE1-CD1 4.08Å; F187-F222 AromaticContact CE2-CD1 3.82Å; F187-F222 HydrophobicContact CE2-CD1 3.82Å; F187-F222 HydrophobicContact CE2-CE1 4.16Å; F187-F222 AromaticContact CG-CD1 4Å; F187-F222 HydrophobicContact CG-CD1 4Å; F187-F222 AromaticContact CG-CE1 3.67Å; F187-F222 HydrophobicContact CG-CE1 3.67Å; F187-F222 AromaticContact CZ-CD1 3.94Å; F187-F222 HydrophobicContact CZ-CD1 3.94Å; I191-F222 HydrophobicContact CD1-CZ 4.49Å; V215-F222 HydrophobicContact CG1-CE2 3.51Å; V215-F222 HydrophobicContact CG1-CZ 3.66Å; V215-F222 HydrophobicContact CG2-CZ 4.42Å; V220-F222 HydrophobicContact CG1-CE1 4.24Å; V220-F222 HydrophobicContact CG1-CE2 4.27Å; V220-F222 HydrophobicContact CG1-CZ 3.85Å; F222-A230 CarbonylContact O-C 3.54Å; F222-A230 WeakPolarHBondContact O-CA 3.48Å; F222-A230 WeakPolarHBondContact O-CB 3.48Å; F222-F231 HydrophobicContact CB-CD1 4.31Å; F222-F231 HydrophobicContact CB-CE1 3.7Å; F222-F231 HydrophobicContact CB-CE2 3.97Å; F222-F231 HydrophobicContact CB-CZ 3.52Å; F222-F231 HydrophobicContact CD2-CD2 4.31Å; F222-F231 AromaticContact CD2-CE2 3.7Å; F222-F231 HydrophobicContact CD2-CE2 3.7Å; F222-F231 HydrophobicContact CD2-CZ 4.06Å; F222-F231 HydrophobicContact CG-CE2 4.13Å; F222-F231 HydrophobicContact CG-CZ 4.01Å; F222-F231 PolarHBondContact N-O 3.03Å; F222-F231 PolarHBondContact O-N 3.43Å; F222-W256 HydrophobicContact CZ-CH2 4.2Å; F222-W256 HydrophobicContact CZ-CZ3 4.07Å; F222-F281 HydrophobicContact CE2-CE2 4.44Å |
| 223 | G | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.5 | -151 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | M166 N167 K168 M169 W229 | M166-G223 PolarHBondContact O-N 2.63Å; N167-G223 CarbonylContact C-O 3.56Å; K168-G223 PolarHBondContact N-O 2.77Å; M169-G223 VanDerWaalsContact CB-O 3.26Å; M169-G223 WeakPolarHBondContact CB-O 3.34Å; M169-G223 PolarHBondContact N-O 3.42Å; G223-W229 WeakPolarHBondContact CA-O 3.26Å |
| 224 | S | 94.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 115.1 | 176.9 | 178.1 | 0 | 0 | 0 | 0 | 110 | N167 D170 L226 Q227 S228 W229 | N167-S224 WeakPolarHBondContact OD1-CA 3.03Å; D170-S224 WeakPolarHBondContact OD1-CB 3.44Å; D170-S224 PolarHBondContact OD1-OG 3.45Å; S224-L226 VanDerWaalsContact C-N 3.27Å; S224-L226 PolarHBondContact O-N 3.24Å; S224-Q227 CarbonylContact O-C 3.56Å; S224-Q227 PolarHBondContact O-N 3.42Å; S224-Q227 PolarHBondContact OG-N 2.81Å; S224-S228 PolarHBondContact O-N 3.5Å; S224-W229 PolarHBondContact N-O 3Å; S224-W229 PolarHBondContact O-N 3.19Å |
| 225 | G | 88.8 | Confident | 94 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -37.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T34 N167 S228 | T34-G225 VanDerWaalsContact CG2-C 3.49Å; N167-G225 PolarHBondContact OD1-N 3.09Å; G225-S228 PolarHBondContact O-N 2.78Å; G225-S228 VanDerWaalsContact O-N 3.13Å; G225-S228 PolarHBondContact O-OG 3.33Å |
| 226 | L | 86.9 | Confident | 94 | Very high | 78 Ų | 78 | 17.6 Ų | 17.6 | 41% | 0.408 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -40.8 | -178.6 | -177.2 | 65.1 | 0 | 0 | 0 | 112 | T34 S224 S228 K329 | T34-L226 VanDerWaalsContact CG2-CA 3.49Å; T34-L226 HydrophobicContact CG2-CB 4.03Å; T34-L226 HydrophobicContact CG2-CD1 4.3Å; S224-L226 VanDerWaalsContact C-N 3.27Å; S224-L226 PolarHBondContact O-N 3.24Å; L226-S228 VanDerWaalsContact C-N 3.29Å; L226-K329 WeakPolarHBondContact O-CE 3.46Å; L226-K329 PolarHBondContact O-NZ 2.88Å; L226-K329 VanDerWaalsContact O-NZ 3.14Å |
| 227 | Q | 88.1 | Confident | 94 | Very high | 38 Ų | 38 | 16.1 Ų | 16.1 | 18% | 0.178 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 1.2 | 175.9 | -52.8 | -59.8 | -23 | 0 | 0 | 112.5 | D170 S224 W229 | D170-Q227 HydrophobicContact CB-CG 3.76Å; D170-Q227 WeakPolarHBondContact OD2-CG 3.35Å; D170-Q227 PolarHBondContact OD2-NE2 3.5Å; S224-Q227 CarbonylContact O-C 3.56Å; S224-Q227 PolarHBondContact O-N 3.42Å; S224-Q227 PolarHBondContact OG-N 2.81Å; Q227-W229 VanDerWaalsContact C-N 3.27Å; Q227-W229 PolarHBondContact O-N 2.9Å |
| 228 | S | 90.4 | Very high | 94 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 4% | 0.035 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 34.4 | 175.5 | -49.1 | 0 | 0 | 0 | 0 | 115.2 | S224 G225 L226 H333 A338 | S224-S228 PolarHBondContact O-N 3.5Å; G225-S228 PolarHBondContact O-N 2.78Å; G225-S228 VanDerWaalsContact O-N 3.13Å; G225-S228 PolarHBondContact O-OG 3.33Å; L226-S228 VanDerWaalsContact C-N 3.29Å; S228-H333 PolarHBondContact O-ND1 2.74Å; S228-A338 VanDerWaalsContact C-CB 3.44Å; S228-A338 WeakPolarHBondContact O-CB 3.39Å; S228-A338 PolarHBondContact O-N 3.23Å; S228-A338 VanDerWaalsContact O-N 3.16Å |
| 229 | W | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.1 | 172.8 | 67.4 | -88.5 | 0 | 0 | 0 | 112.2 | M169 G223 S224 Q227 F231 I289 F293 L332 L336 | M169-W229 HydrophobicContact CB-CH2 4.09Å; M169-W229 HydrophobicContact CB-CZ2 4.23Å; M169-W229 HydrophobicContact CE-CH2 4.03Å; M169-W229 HydrophobicContact CG-CH2 3.9Å; M169-W229 HydrophobicContact CG-CZ2 4.37Å; M169-W229 HydrophobicContact SD-CH2 3.52Å; M169-W229 VanDerWaalsContact SD-CH2 3.52Å; M169-W229 HydrophobicContact SD-CZ3 4.09Å; G223-W229 WeakPolarHBondContact CA-O 3.26Å; S224-W229 PolarHBondContact N-O 3Å; S224-W229 PolarHBondContact O-N 3.19Å; Q227-W229 VanDerWaalsContact C-N 3.27Å; Q227-W229 PolarHBondContact O-N 2.9Å; W229-F231 HydrophobicContact CE3-CD1 4.24Å; W229-F231 HydrophobicContact CH2-CE1 4.5Å; W229-F231 AromaticContact CZ3-CD1 3.79Å; W229-F231 HydrophobicContact CZ3-CD1 3.79Å; W229-F231 AromaticContact CZ3-CE1 3.71Å; W229-F231 HydrophobicContact CZ3-CE1 3.71Å; W229-I289 HydrophobicContact CH2-CD1 4.48Å; W229-I289 HydrophobicContact CH2-CG2 4.07Å; W229-I289 HydrophobicContact CZ3-CD1 4.06Å; W229-I289 HydrophobicContact CZ3-CG2 4.47Å; W229-F293 HydrophobicContact CZ2-CE2 4.09Å; W229-F293 HydrophobicContact CZ2-CZ 4.09Å; W229-L332 HydrophobicContact CB-CB 3.86Å; W229-L332 HydrophobicContact CD2-CB 4.35Å; W229-L332 HydrophobicContact CD2-CD1 4.3Å; W229-L332 HydrophobicContact CG-CB 3.67Å; W229-L332 HydrophobicContact CG-CD1 4.24Å; W229-L332 HydrophobicContact CG-CG 4.47Å; W229-L332 HydrophobicContact CZ2-CD1 4.46Å; W229-L336 CarbonylContact C-O 3.43Å; W229-L336 WeakPolarHBondContact CA-O 3.38Å; W229-L336 HydrophobicContact CB-CB 4.43Å; W229-L336 VanDerWaalsContact CB-O 3.3Å; W229-L336 WeakPolarHBondContact CB-O 3.43Å; W229-L336 HydrophobicContact CE3-CD1 4.36Å |
| 230 | A | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 159.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F165 F222 L336 A338 S341 | F165-A230 HydrophobicContact CE2-CB 3.65Å; F165-A230 HydrophobicContact CZ-CB 3.74Å; F222-A230 CarbonylContact O-C 3.54Å; F222-A230 WeakPolarHBondContact O-CA 3.48Å; F222-A230 WeakPolarHBondContact O-CB 3.48Å; A230-L336 PolarHBondContact N-O 3.18Å; A230-A338 HydrophobicContact CB-CB 3.95Å; A230-S341 WeakPolarHBondContact O-CB 3.45Å; A230-S341 PolarHBondContact O-OG 3.07Å |
| 231 | F | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 159.3 | 178.7 | 67.2 | -87.7 | 0 | 0 | 0 | 112 | M169 G221 F222 W229 T235 F236 F281 I285 I289 L336 | M169-F231 HydrophobicContact CE-CE1 4.32Å; M169-F231 HydrophobicContact CE-CZ 4.46Å; M169-F231 HydrophobicContact SD-CE1 3.9Å; M169-F231 HydrophobicContact SD-CZ 4.27Å; G221-F231 WeakPolarHBondContact CA-O 3.15Å; F222-F231 HydrophobicContact CB-CD1 4.31Å; F222-F231 HydrophobicContact CB-CE1 3.7Å; F222-F231 HydrophobicContact CB-CE2 3.97Å; F222-F231 HydrophobicContact CB-CZ 3.52Å; F222-F231 HydrophobicContact CD2-CD2 4.31Å; F222-F231 AromaticContact CD2-CE2 3.7Å; F222-F231 HydrophobicContact CD2-CE2 3.7Å; F222-F231 HydrophobicContact CD2-CZ 4.06Å; F222-F231 HydrophobicContact CG-CE2 4.13Å; F222-F231 HydrophobicContact CG-CZ 4.01Å; F222-F231 PolarHBondContact N-O 3.03Å; F222-F231 PolarHBondContact O-N 3.43Å; W229-F231 HydrophobicContact CE3-CD1 4.24Å; W229-F231 HydrophobicContact CH2-CE1 4.5Å; W229-F231 AromaticContact CZ3-CD1 3.79Å; W229-F231 HydrophobicContact CZ3-CD1 3.79Å; W229-F231 AromaticContact CZ3-CE1 3.71Å; W229-F231 HydrophobicContact CZ3-CE1 3.71Å; F231-T235 HydrophobicContact CB-CG2 4.32Å; F231-F236 HydrophobicContact CB-CD2 4.27Å; F231-F236 HydrophobicContact CB-CE2 3.9Å; F231-F236 HydrophobicContact CD1-CE2 4.21Å; F231-F236 AromaticContact CD2-CD2 3.87Å; F231-F236 HydrophobicContact CD2-CD2 3.87Å; F231-F236 AromaticContact CD2-CE2 3.73Å; F231-F236 HydrophobicContact CD2-CE2 3.73Å; F231-F236 HydrophobicContact CE2-CE2 4.31Å; F231-F236 HydrophobicContact CG-CD2 4.18Å; F231-F236 AromaticContact CG-CE2 3.67Å; F231-F236 HydrophobicContact CG-CE2 3.67Å; F231-F281 HydrophobicContact CE2-CE2 4.25Å; F231-F281 HydrophobicContact CE2-CZ 4.36Å; F231-F281 HydrophobicContact CZ-CZ 4.31Å; F231-I285 HydrophobicContact CD2-CG2 4.04Å; F231-I285 HydrophobicContact CE1-CG2 4.41Å; F231-I285 HydrophobicContact CE2-CG2 3.32Å; F231-I285 HydrophobicContact CZ-CG2 3.53Å; F231-I289 HydrophobicContact CD1-CD1 4.08Å; F231-I289 HydrophobicContact CE1-CD1 3.52Å; F231-I289 HydrophobicContact CZ-CD1 3.96Å; F231-L336 HydrophobicContact CB-CD1 4.42Å; F231-L336 HydrophobicContact CB-CD2 4.44Å; F231-L336 HydrophobicContact CD1-CD1 4.38Å |
| 232 | T | 96.6 | Very high | 92.8 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 6% | 0.055 | 14% | 0.139 | C | C | . | . | trans | -113.1 | 172.7 | 158.6 | 64.8 | 0 | 0 | 0 | 0 | 108.8 | M234 T235 M345 | T232-M234 PolarHBondContact O-N 2.7Å; T232-M234 PolarHBondContact OG1-N 3.47Å; T232-T235 PolarHBondContact N-OG1 3.33Å; T232-T235 VanDerWaalsContact N-OG1 3.09Å; T232-T235 VanDerWaalsContact O-CB 3.29Å; T232-T235 WeakPolarHBondContact O-CB 3.31Å; T232-T235 PolarHBondContact O-N 2.99Å; T232-T235 VanDerWaalsContact O-N 3.16Å; T232-T235 PolarHBondContact O-OG1 3.23Å; T232-T235 PolarHBondContact OG1-OG1 3.16Å; T232-M345 HydrophobicContact CG2-CG 3.52Å; T232-M345 HydrophobicContact CG2-SD 3.6Å; T232-M345 VanDerWaalsContact CG2-SD 3.6Å | ||
| 233 | L | 96 | Very high | 92.3 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -30.6 | 172.9 | -60.8 | -177.5 | 0 | 0 | 0 | 112.1 | V215 T235 F236 A237 V252 F255 W256 F281 I285 | V215-L233 HydrophobicContact CB-CD1 4.08Å; V215-L233 HydrophobicContact CG1-CD1 3.57Å; V215-L233 HydrophobicContact CG1-CD2 4.32Å; V215-L233 HydrophobicContact CG1-CG 3.73Å; L233-T235 VanDerWaalsContact C-N 3.26Å; L233-T235 PolarHBondContact O-N 2.97Å; L233-F236 PolarHBondContact O-N 2.91Å; L233-A237 WeakPolarHBondContact O-CB 3.49Å; L233-A237 PolarHBondContact O-N 2.95Å; L233-V252 HydrophobicContact CB-CB 4.42Å; L233-V252 HydrophobicContact CB-CG1 3.71Å; L233-V252 HydrophobicContact CB-CG2 4.14Å; L233-V252 HydrophobicContact CD1-CG1 3.94Å; L233-V252 HydrophobicContact CG-CG1 4.49Å; L233-F255 HydrophobicContact CD2-CB 4.22Å; L233-W256 HydrophobicContact CD1-CB 3.77Å; L233-W256 HydrophobicContact CD1-CG 4.45Å; L233-F281 HydrophobicContact CD2-CD2 3.76Å; L233-F281 HydrophobicContact CD2-CE2 3.76Å; L233-I285 HydrophobicContact CD2-CD1 3.22Å |
| 234 | M | 93.6 | Very high | 91.8 | Very high | 54 Ų | 54 | 35.4 Ų | 35.4 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.2 | -36.2 | 177.7 | -170.6 | 59.5 | 74 | 0 | 0 | 111.5 | T232 F236 A237 R238 P248 V252 | T232-M234 PolarHBondContact O-N 2.7Å; T232-M234 PolarHBondContact OG1-N 3.47Å; M234-F236 PolarHBondContact O-N 3.35Å; M234-A237 PolarHBondContact O-N 2.88Å; M234-R238 WeakPolarHBondContact O-CG 3.39Å; M234-R238 PolarHBondContact O-N 3.41Å; M234-R238 HydrophobicContact SD-CG 4.45Å; M234-P248 HydrophobicContact SD-CB 3.71Å; M234-V252 HydrophobicContact CE-CG2 4.11Å; M234-V252 HydrophobicContact SD-CG2 4.17Å |
| 235 | T | 93.6 | Very high | 91.5 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.8 | -51.3 | 175.8 | -46.6 | 0 | 0 | 0 | 0 | 111.1 | F231 T232 L233 L239 L336 | F231-T235 HydrophobicContact CB-CG2 4.32Å; T232-T235 PolarHBondContact N-OG1 3.33Å; T232-T235 VanDerWaalsContact N-OG1 3.09Å; T232-T235 VanDerWaalsContact O-CB 3.29Å; T232-T235 WeakPolarHBondContact O-CB 3.31Å; T232-T235 PolarHBondContact O-N 2.99Å; T232-T235 VanDerWaalsContact O-N 3.16Å; T232-T235 PolarHBondContact O-OG1 3.23Å; T232-T235 PolarHBondContact OG1-OG1 3.16Å; L233-T235 VanDerWaalsContact C-N 3.26Å; L233-T235 PolarHBondContact O-N 2.97Å; T235-L239 WeakPolarHBondContact O-CG 3.35Å; T235-L239 PolarHBondContact O-N 2.84Å; T235-L336 HydrophobicContact CG2-CD2 3.7Å |
| 236 | F | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.4 | -30.7 | 178.5 | -77.7 | -89 | 0 | 0 | 0 | 113.1 | F231 L233 M234 R238 L239 Y240 F255 F284 I285 I289 W335 L336 | F231-F236 HydrophobicContact CB-CD2 4.27Å; F231-F236 HydrophobicContact CB-CE2 3.9Å; F231-F236 HydrophobicContact CD1-CE2 4.21Å; F231-F236 AromaticContact CD2-CD2 3.87Å; F231-F236 HydrophobicContact CD2-CD2 3.87Å; F231-F236 AromaticContact CD2-CE2 3.73Å; F231-F236 HydrophobicContact CD2-CE2 3.73Å; F231-F236 HydrophobicContact CE2-CE2 4.31Å; F231-F236 HydrophobicContact CG-CD2 4.18Å; F231-F236 AromaticContact CG-CE2 3.67Å; F231-F236 HydrophobicContact CG-CE2 3.67Å; L233-F236 PolarHBondContact O-N 2.91Å; M234-F236 PolarHBondContact O-N 3.35Å; F236-R238 VanDerWaalsContact C-N 3.3Å; F236-R238 PolarHBondContact O-N 2.9Å; F236-L239 HydrophobicContact CD1-CD1 4.15Å; F236-L239 HydrophobicContact CE1-CD1 4.48Å; F236-L239 WeakPolarHBondContact O-CB 3.06Å; F236-L239 PolarHBondContact O-N 3.06Å; F236-Y240 HydrophobicContact CB-CD2 4.37Å; F236-Y240 HydrophobicContact CB-CE2 4.4Å; F236-Y240 AromaticContact CD1-CE2 3.91Å; F236-Y240 HydrophobicContact CD1-CE2 3.91Å; F236-Y240 WeakPolarHBondContact O-CD2 3.47Å; F236-Y240 PolarHBondContact O-N 2.94Å; F236-F255 HydrophobicContact CB-CE2 4.17Å; F236-F284 WeakPolarHBondContact CD1-O 3.21Å; F236-I285 HydrophobicContact CB-CD1 4.12Å; F236-I285 HydrophobicContact CB-CG1 3.92Å; F236-I285 HydrophobicContact CD1-CG1 4.19Å; F236-I285 HydrophobicContact CD2-CB 4.38Å; F236-I285 HydrophobicContact CD2-CD1 4.16Å; F236-I285 HydrophobicContact CD2-CG1 3.92Å; F236-I285 HydrophobicContact CD2-CG2 3.92Å; F236-I285 HydrophobicContact CE2-CB 4.48Å; F236-I285 HydrophobicContact CE2-CG1 4.49Å; F236-I285 HydrophobicContact CE2-CG2 3.72Å; F236-I285 HydrophobicContact CG-CB 4.48Å; F236-I285 HydrophobicContact CG-CD1 4.24Å; F236-I285 HydrophobicContact CG-CG1 3.74Å; F236-I285 HydrophobicContact CG-CG2 4.49Å; F236-I285 HydrophobicContact CZ-CG2 4.12Å; F236-I289 HydrophobicContact CE2-CD1 4.41Å; F236-I289 HydrophobicContact CZ-CD1 4.12Å; F236-I289 HydrophobicContact CZ-CG1 4.19Å; F236-W335 AromaticContact CE1-CH2 3.95Å; F236-W335 HydrophobicContact CE1-CH2 3.95Å; F236-W335 AromaticContact CE1-CZ2 3.89Å; F236-W335 HydrophobicContact CE1-CZ2 3.89Å; F236-W335 AromaticContact CZ-CH2 3.99Å; F236-W335 HydrophobicContact CZ-CH2 3.99Å; F236-W335 HydrophobicContact CZ-CZ2 4.19Å; F236-L336 HydrophobicContact CE2-CD1 4.06Å; F236-L336 HydrophobicContact CE2-CD2 4.29Å; F236-L336 HydrophobicContact CZ-CD1 3.88Å; F236-L336 HydrophobicContact CZ-CD2 4.36Å |
| 237 | A | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -37.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L233 M234 Y240 S241 P248 L251 V252 F255 | L233-A237 WeakPolarHBondContact O-CB 3.49Å; L233-A237 PolarHBondContact O-N 2.95Å; M234-A237 PolarHBondContact O-N 2.88Å; A237-Y240 PolarHBondContact O-N 2.94Å; A237-S241 WeakPolarHBondContact O-CA 3.49Å; A237-S241 VanDerWaalsContact O-CB 3.27Å; A237-S241 WeakPolarHBondContact O-CB 3.46Å; A237-S241 PolarHBondContact O-N 3.31Å; A237-P248 HydrophobicContact CB-CB 4.06Å; A237-L251 HydrophobicContact CB-CB 4.35Å; A237-V252 HydrophobicContact CB-CG2 3.4Å; A237-V252 VanDerWaalsContact CB-CG2 3.4Å; A237-F255 HydrophobicContact CB-CE2 4.02Å |
| 238 | R | 91.5 | Very high | 91.8 | Very high | 64 Ų | 64 | 43.4 Ų | 43.4 | 24% | 0.242 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 171.4 | -72.6 | 177 | 172.9 | 157.6 | 1.3 | 112.6 | E84 D85 M234 F236 Y240 S241 P248 | E84-R238 IonicContact OE2-CZ 3.45Å; E84-R238 IonicContact OE2-NE 3.47Å; D85-R238 IonicContact OD1-CZ 3.54Å; D85-R238 IonicContact OD1-NH1 2.96Å; D85-R238 PolarHBondContact OD1-NH1 2.95Å; D85-R238 IonicContact OD1-NH2 3.69Å; D85-R238 PolarHBondContact OD1-NH2 3.3Å; M234-R238 WeakPolarHBondContact O-CG 3.39Å; M234-R238 PolarHBondContact O-N 3.41Å; M234-R238 HydrophobicContact SD-CG 4.45Å; F236-R238 VanDerWaalsContact C-N 3.3Å; F236-R238 PolarHBondContact O-N 2.9Å; R238-Y240 VanDerWaalsContact C-N 3.32Å; R238-Y240 PolarHBondContact O-N 2.81Å; R238-S241 PolarHBondContact O-OG 3.27Å; R238-S241 VanDerWaalsContact O-OG 3.13Å; R238-P248 HydrophobicContact CG-CB 4.32Å; R238-P248 HydrophobicContact CG-CG 4.26Å |
| 239 | L | 90.3 | Very high | 91.7 | Very high | 87 Ų | 87 | 45.5 Ų | 45.5 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.6 | -33.5 | 176 | -69.1 | 172.9 | 0 | 0 | 0 | 112.9 | T235 F236 | T235-L239 WeakPolarHBondContact O-CG 3.35Å; T235-L239 PolarHBondContact O-N 2.84Å; F236-L239 HydrophobicContact CD1-CD1 4.15Å; F236-L239 HydrophobicContact CE1-CD1 4.48Å; F236-L239 WeakPolarHBondContact O-CB 3.06Å; F236-L239 PolarHBondContact O-N 3.06Å |
| 240 | Y | 92.1 | Very high | 91.5 | Very high | 43 Ų | 43 | 48.9 Ų | 48.9 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -102.7 | -10.8 | -175.1 | -69.9 | -58.3 | 0 | 0 | 0 | 115.2 | F236 A237 R238 S242 K243 F244 F255 F284 | F236-Y240 HydrophobicContact CB-CD2 4.37Å; F236-Y240 HydrophobicContact CB-CE2 4.4Å; F236-Y240 AromaticContact CD1-CE2 3.91Å; F236-Y240 HydrophobicContact CD1-CE2 3.91Å; F236-Y240 WeakPolarHBondContact O-CD2 3.47Å; F236-Y240 PolarHBondContact O-N 2.94Å; A237-Y240 PolarHBondContact O-N 2.94Å; R238-Y240 VanDerWaalsContact C-N 3.32Å; R238-Y240 PolarHBondContact O-N 2.81Å; Y240-S242 PolarHBondContact O-N 3.14Å; Y240-K243 HydrophobicContact CD1-CD 4.24Å; Y240-K243 WeakPolarHBondContact O-CB 3.4Å; Y240-K243 PolarHBondContact O-N 3.12Å; Y240-K243 VanDerWaalsContact O-N 3.12Å; Y240-F244 HydrophobicContact CD1-CE2 4.45Å; Y240-F244 HydrophobicContact CG-CE2 4.35Å; Y240-F244 WeakPolarHBondContact O-CD2 3.45Å; Y240-F244 PolarHBondContact O-N 3.48Å; Y240-F255 HydrophobicContact CD2-CE2 4.36Å; Y240-F255 AromaticContact CD2-CZ 3.83Å; Y240-F255 HydrophobicContact CD2-CZ 3.83Å; Y240-F255 HydrophobicContact CG-CZ 4.46Å; Y240-F284 HydrophobicContact CD2-CB 4.27Å; Y240-F284 HydrophobicContact CD2-CD1 4.43Å; Y240-F284 HydrophobicContact CE1-CD1 4.48Å; Y240-F284 HydrophobicContact CE2-CB 3.85Å; Y240-F284 HydrophobicContact CE2-CD1 4.2Å; Y240-F284 HydrophobicContact CE2-CG 4.49Å; Y240-F284 WeakPolarHBondContact CE2-O 3.13Å; Y240-F284 PolarHBondContact OH-O 3.02Å |
| 241 | S | 90.1 | Very high | 91.3 | Very high | 26 Ų | 26 | 48.9 Ų | 48.9 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.1 | -47.2 | -176.1 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | A237 R238 K243 F244 G245 I246 | A237-S241 WeakPolarHBondContact O-CA 3.49Å; A237-S241 VanDerWaalsContact O-CB 3.27Å; A237-S241 WeakPolarHBondContact O-CB 3.46Å; A237-S241 PolarHBondContact O-N 3.31Å; R238-S241 PolarHBondContact O-OG 3.27Å; R238-S241 VanDerWaalsContact O-OG 3.13Å; S241-K243 VanDerWaalsContact C-N 3.31Å; S241-K243 PolarHBondContact O-N 3.18Å; S241-F244 PolarHBondContact O-N 2.98Å; S241-G245 WeakPolarHBondContact O-CA 3.41Å; S241-G245 PolarHBondContact O-N 2.91Å; S241-I246 VanDerWaalsContact CA-O 3.31Å; S241-I246 WeakPolarHBondContact CA-O 3.39Å; S241-I246 VanDerWaalsContact CB-O 3.23Å; S241-I246 WeakPolarHBondContact CB-O 3.08Å; S241-I246 PolarHBondContact O-N 2.8Å |
| 242 | S | 86.8 | Confident | 91.1 | Very high | 106 Ų | 106 | 49 Ų | 49 | 74% | 0.741 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.2 | -37.1 | 177.7 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | Y240 | Y240-S242 PolarHBondContact O-N 3.14Å |
| 243 | K | 86.4 | Confident | 90.9 | Very high | 154 Ų | 154 | 55.6 Ų | 55.6 | 67% | 0.67 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -71 | -37.8 | 179.6 | -176.8 | 179.4 | 178.7 | 179 | 0 | 112.7 | Y240 S241 | Y240-K243 HydrophobicContact CD1-CD 4.24Å; Y240-K243 WeakPolarHBondContact O-CB 3.4Å; Y240-K243 PolarHBondContact O-N 3.12Å; Y240-K243 VanDerWaalsContact O-N 3.12Å; S241-K243 VanDerWaalsContact C-N 3.31Å; S241-K243 PolarHBondContact O-N 3.18Å |
| 244 | F | 86.2 | Confident | 90.8 | Very high | 50 Ų | 50 | 60 Ų | 60 | 22% | 0.219 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -90.4 | -16.2 | 179.4 | -75.1 | -73.5 | 0 | 0 | 0 | 113.6 | Y240 S241 I246 L251 Y261 F284 | Y240-F244 HydrophobicContact CD1-CE2 4.45Å; Y240-F244 HydrophobicContact CG-CE2 4.35Å; Y240-F244 WeakPolarHBondContact O-CD2 3.45Å; Y240-F244 PolarHBondContact O-N 3.48Å; S241-F244 PolarHBondContact O-N 2.98Å; F244-I246 HydrophobicContact CB-CB 4.18Å; F244-I246 HydrophobicContact CB-CD1 3.94Å; F244-I246 HydrophobicContact CB-CG1 3.92Å; F244-I246 PolarHBondContact O-N 3.31Å; F244-L251 HydrophobicContact CD2-CD1 4.26Å; F244-L251 HydrophobicContact CD2-CD2 4.09Å; F244-Y261 HydrophobicContact CE1-CE2 4.2Å; F244-F284 HydrophobicContact CE2-CD1 4.34Å; F244-F284 AromaticContact CE2-CE1 3.83Å; F244-F284 HydrophobicContact CE2-CE1 3.83Å; F244-F284 HydrophobicContact CE2-CZ 4.2Å; F244-F284 HydrophobicContact CZ-CD1 4.41Å; F244-F284 AromaticContact CZ-CE1 3.49Å; F244-F284 HydrophobicContact CZ-CE1 3.49Å; F244-F284 VanDerWaalsContact CZ-CE1 3.49Å; F244-F284 AromaticContact CZ-CZ 3.56Å; F244-F284 HydrophobicContact CZ-CZ 3.56Å |
| 245 | G | 87.8 | Confident | 90.8 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 74% | 0.742 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 29 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S241 | S241-G245 WeakPolarHBondContact O-CA 3.41Å; S241-G245 PolarHBondContact O-N 2.91Å |
| 246 | I | 90.1 | Very high | 90.9 | Very high | 55 Ų | 55 | 58 Ų | 58 | 28% | 0.282 | 31% | 0.306 | S | S | . | . | trans | -117.2 | 135 | -178.7 | -60 | 174.2 | 0 | 0 | 0 | 108 | S241 F244 V250 L251 | S241-I246 VanDerWaalsContact CA-O 3.31Å; S241-I246 WeakPolarHBondContact CA-O 3.39Å; S241-I246 VanDerWaalsContact CB-O 3.23Å; S241-I246 WeakPolarHBondContact CB-O 3.08Å; S241-I246 PolarHBondContact O-N 2.8Å; F244-I246 HydrophobicContact CB-CB 4.18Å; F244-I246 HydrophobicContact CB-CD1 3.94Å; F244-I246 HydrophobicContact CB-CG1 3.92Å; F244-I246 PolarHBondContact O-N 3.31Å; I246-V250 HydrophobicContact CG2-CB 3.89Å; I246-V250 HydrophobicContact CG2-CG1 3.97Å; I246-L251 HydrophobicContact CG2-CB 4.09Å | ||
| 247 | E | 90.2 | Very high | 90.8 | Very high | 126 Ų | 126 | 58.9 Ų | 58.9 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | trans | -56.3 | 136.8 | 175 | -167.5 | -166.6 | 146.6 | 0 | 0 | 111.1 | S249 V250 L251 | E247-S249 VanDerWaalsContact C-N 3.25Å; E247-S249 PolarHBondContact O-N 2.93Å; E247-S249 VanDerWaalsContact O-N 3.16Å; E247-S249 WeakPolarHBondContact OE1-CB 3.46Å; E247-S249 PolarHBondContact OE1-OG 3.26Å; E247-V250 HydrophobicContact CB-CG2 4.39Å; E247-V250 PolarHBondContact O-N 3.26Å; E247-L251 PolarHBondContact O-N 2.86Å | ||
| 248 | P | 90.3 | Very high | 90.8 | Very high | 32 Ų | 32 | 63.5 Ų | 63.5 | 21% | 0.208 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -49.8 | -42.8 | 179.9 | -27.7 | 32 | 0 | 0 | 0 | 113.9 | M234 A237 R238 V250 L251 V252 | M234-P248 HydrophobicContact SD-CB 3.71Å; A237-P248 HydrophobicContact CB-CB 4.06Å; R238-P248 HydrophobicContact CG-CB 4.32Å; R238-P248 HydrophobicContact CG-CG 4.26Å; P248-V250 VanDerWaalsContact C-N 3.27Å; P248-V250 PolarHBondContact O-N 2.64Å; P248-L251 PolarHBondContact O-N 3.04Å; P248-L251 VanDerWaalsContact O-N 3.14Å; P248-V252 WeakPolarHBondContact O-CG2 3.25Å; P248-V252 PolarHBondContact O-N 2.68Å |
| 249 | S | 87.6 | Confident | 90.9 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.3 | -33.2 | -178.6 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | E247 | E247-S249 VanDerWaalsContact C-N 3.25Å; E247-S249 PolarHBondContact O-N 2.93Å; E247-S249 VanDerWaalsContact O-N 3.16Å; E247-S249 WeakPolarHBondContact OE1-CB 3.46Å; E247-S249 PolarHBondContact OE1-OG 3.26Å |
| 250 | V | 90.2 | Very high | 91.1 | Very high | 72 Ų | 72 | 57.6 Ų | 57.6 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -82.2 | -38.7 | 176.8 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | I246 E247 P248 K253 | I246-V250 HydrophobicContact CG2-CB 3.89Å; I246-V250 HydrophobicContact CG2-CG1 3.97Å; E247-V250 HydrophobicContact CB-CG2 4.39Å; E247-V250 PolarHBondContact O-N 3.26Å; P248-V250 VanDerWaalsContact C-N 3.27Å; P248-V250 PolarHBondContact O-N 2.64Å; V250-K253 PolarHBondContact O-N 3.25Å |
| 251 | L | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.9 | -36.4 | -178.5 | -172 | 59.2 | 0 | 0 | 0 | 112.2 | A237 F244 I246 E247 P248 K253 R254 F255 | A237-L251 HydrophobicContact CB-CB 4.35Å; F244-L251 HydrophobicContact CD2-CD1 4.26Å; F244-L251 HydrophobicContact CD2-CD2 4.09Å; I246-L251 HydrophobicContact CG2-CB 4.09Å; E247-L251 PolarHBondContact O-N 2.86Å; P248-L251 PolarHBondContact O-N 3.04Å; P248-L251 VanDerWaalsContact O-N 3.14Å; L251-K253 PolarHBondContact O-N 3.27Å; L251-R254 WeakPolarHBondContact O-CB 3.45Å; L251-R254 PolarHBondContact O-N 2.69Å; L251-F255 HydrophobicContact CD1-CE1 3.85Å; L251-F255 HydrophobicContact CD1-CZ 3.97Å; L251-F255 HydrophobicContact CD2-CE1 4.43Å; L251-F255 HydrophobicContact CD2-CE2 4.28Å; L251-F255 HydrophobicContact CD2-CZ 3.72Å; L251-F255 HydrophobicContact CG-CE1 3.89Å; L251-F255 HydrophobicContact CG-CE2 3.99Å; L251-F255 HydrophobicContact CG-CZ 3.51Å; L251-F255 PolarHBondContact O-N 2.98Å |
| 252 | V | 93.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -52.5 | -41.3 | 174.3 | 167.7 | 0 | 0 | 0 | 0 | 111.8 | A216 L233 M234 A237 P248 R254 F255 | A216-V252 VanDerWaalsContact CA-CG1 3.47Å; A216-V252 HydrophobicContact CB-CG1 3.9Å; A216-V252 VanDerWaalsContact O-CG1 3.23Å; A216-V252 WeakPolarHBondContact O-CG1 3.34Å; L233-V252 HydrophobicContact CB-CB 4.42Å; L233-V252 HydrophobicContact CB-CG1 3.71Å; L233-V252 HydrophobicContact CB-CG2 4.14Å; L233-V252 HydrophobicContact CD1-CG1 3.94Å; L233-V252 HydrophobicContact CG-CG1 4.49Å; M234-V252 HydrophobicContact CE-CG2 4.11Å; M234-V252 HydrophobicContact SD-CG2 4.17Å; A237-V252 HydrophobicContact CB-CG2 3.4Å; A237-V252 VanDerWaalsContact CB-CG2 3.4Å; P248-V252 WeakPolarHBondContact O-CG2 3.25Å; P248-V252 PolarHBondContact O-N 2.68Å; V252-R254 PolarHBondContact O-N 2.96Å; V252-F255 PolarHBondContact O-N 2.85Å |
| 253 | K | 92.6 | Very high | 91.3 | Very high | 146 Ų | 146 | 54.8 Ų | 54.8 | 64% | 0.635 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66 | -19.3 | 179.3 | -60.5 | -179.6 | -177.9 | 178.1 | 0 | 113.8 | V250 L251 N259 | V250-K253 PolarHBondContact O-N 3.25Å; L251-K253 PolarHBondContact O-N 3.27Å; K253-N259 PolarHBondContact O-ND2 3.22Å |
| 254 | R | 93.1 | Very high | 91.4 | Very high | 95 Ų | 95 | 54.7 Ų | 54.7 | 36% | 0.358 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -86.9 | -19.7 | 175.6 | -63 | -71.3 | -174.6 | 167.5 | 2.2 | 112.3 | L251 V252 N259 W268 | L251-R254 WeakPolarHBondContact O-CB 3.45Å; L251-R254 PolarHBondContact O-N 2.69Å; V252-R254 PolarHBondContact O-N 2.96Å; R254-N259 WeakPolarHBondContact O-CB 3.39Å; R254-W268 HydrophobicContact CB-CD2 4.3Å; R254-W268 HydrophobicContact CB-CE3 4.13Å; R254-W268 HydrophobicContact CB-CH2 3.72Å; R254-W268 HydrophobicContact CB-CZ2 3.92Å; R254-W268 HydrophobicContact CB-CZ3 3.85Å; R254-W268 HydrophobicContact CG-CD2 4.49Å; R254-W268 WeakPolarHBondContact O-CZ3 3.25Å |
| 255 | F | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -81.8 | -30 | -178.5 | -65.7 | -19.5 | 0 | 0 | 0 | 112.8 | L233 F236 A237 Y240 L251 V252 W268 G280 F281 F284 I285 | L233-F255 HydrophobicContact CD2-CB 4.22Å; F236-F255 HydrophobicContact CB-CE2 4.17Å; A237-F255 HydrophobicContact CB-CE2 4.02Å; Y240-F255 HydrophobicContact CD2-CE2 4.36Å; Y240-F255 AromaticContact CD2-CZ 3.83Å; Y240-F255 HydrophobicContact CD2-CZ 3.83Å; Y240-F255 HydrophobicContact CG-CZ 4.46Å; L251-F255 HydrophobicContact CD1-CE1 3.85Å; L251-F255 HydrophobicContact CD1-CZ 3.97Å; L251-F255 HydrophobicContact CD2-CE1 4.43Å; L251-F255 HydrophobicContact CD2-CE2 4.28Å; L251-F255 HydrophobicContact CD2-CZ 3.72Å; L251-F255 HydrophobicContact CG-CE1 3.89Å; L251-F255 HydrophobicContact CG-CE2 3.99Å; L251-F255 HydrophobicContact CG-CZ 3.51Å; L251-F255 PolarHBondContact O-N 2.98Å; V252-F255 PolarHBondContact O-N 2.85Å; F255-W268 HydrophobicContact CD1-CH2 4.09Å; F255-W268 HydrophobicContact CE1-CH2 4.26Å; F255-G280 CarbonylContact O-C 3.41Å; F255-F281 WeakPolarHBondContact O-CA 3.37Å; F255-F281 WeakPolarHBondContact O-CB 3.5Å; F255-F281 PolarHBondContact O-N 2.68Å; F255-F284 HydrophobicContact CD1-CB 4.16Å; F255-F284 HydrophobicContact CD1-CD2 4Å; F255-F284 HydrophobicContact CD1-CG 4.34Å; F255-F284 HydrophobicContact CE1-CB 3.77Å; F255-F284 AromaticContact CE1-CD2 3.69Å; F255-F284 HydrophobicContact CE1-CD2 3.69Å; F255-F284 HydrophobicContact CE1-CE2 4.48Å; F255-F284 AromaticContact CE1-CG 3.76Å; F255-F284 HydrophobicContact CE1-CG 3.76Å; F255-F284 HydrophobicContact CZ-CB 4.12Å; F255-F284 HydrophobicContact CZ-CG 4.39Å; F255-I285 HydrophobicContact CB-CD1 4.31Å; F255-I285 HydrophobicContact CD2-CD1 4.18Å; F255-I285 HydrophobicContact CG-CD1 4.47Å |
| 256 | W | 94.9 | Very high | 91.4 | Very high | 37 Ų | 37 | 60.1 Ų | 60.1 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -103.1 | 159.2 | -179.8 | -161.9 | -106.5 | 0 | 0 | 0 | 113.3 | Y184 F187 Q188 I191 V215 F222 L233 N259 F281 | Y184-W256 HydrophobicContact CD2-CE3 4.28Å; Y184-W256 AromaticContact CD2-CH2 3.97Å; Y184-W256 HydrophobicContact CD2-CH2 3.97Å; Y184-W256 AromaticContact CD2-CZ3 3.8Å; Y184-W256 HydrophobicContact CD2-CZ3 3.8Å; Y184-W256 AromaticContact CE2-CD2 3.93Å; Y184-W256 HydrophobicContact CE2-CD2 3.93Å; Y184-W256 AromaticContact CE2-CE3 3.7Å; Y184-W256 HydrophobicContact CE2-CE3 3.7Å; Y184-W256 AromaticContact CE2-CH2 3.7Å; Y184-W256 HydrophobicContact CE2-CH2 3.7Å; Y184-W256 AromaticContact CE2-CZ2 3.92Å; Y184-W256 HydrophobicContact CE2-CZ2 3.92Å; Y184-W256 AromaticContact CE2-CZ3 3.59Å; Y184-W256 HydrophobicContact CE2-CZ3 3.59Å; F187-W256 HydrophobicContact CB-CH2 3.91Å; Q188-W256 HydrophobicContact CB-CZ2 4.34Å; I191-W256 HydrophobicContact CD1-CH2 4.06Å; I191-W256 HydrophobicContact CD1-CZ2 3.72Å; V215-W256 HydrophobicContact CB-CD2 3.89Å; V215-W256 HydrophobicContact CB-CE3 4.27Å; V215-W256 HydrophobicContact CB-CG 4.07Å; V215-W256 HydrophobicContact CG1-CD2 4.08Å; V215-W256 HydrophobicContact CG1-CE3 3.94Å; V215-W256 HydrophobicContact CG1-CZ3 4.28Å; V215-W256 HydrophobicContact CG2-CD2 3.85Å; V215-W256 HydrophobicContact CG2-CE3 4.32Å; V215-W256 HydrophobicContact CG2-CG 4.34Å; V215-W256 HydrophobicContact CG2-CH2 4.22Å; V215-W256 HydrophobicContact CG2-CZ2 3.74Å; V215-W256 HydrophobicContact CG2-CZ3 4.48Å; F222-W256 HydrophobicContact CZ-CH2 4.2Å; F222-W256 HydrophobicContact CZ-CZ3 4.07Å; L233-W256 HydrophobicContact CD1-CB 3.77Å; L233-W256 HydrophobicContact CD1-CG 4.45Å; W256-N259 PolarHBondContact O-ND2 3.28Å; W256-F281 AromaticContact CE3-CD2 3.67Å; W256-F281 HydrophobicContact CE3-CD2 3.67Å; W256-F281 HydrophobicContact CE3-CE2 4.02Å; W256-F281 HydrophobicContact CE3-CG 4.14Å; W256-F281 HydrophobicContact CZ3-CD1 4.31Å; W256-F281 AromaticContact CZ3-CD2 3.71Å; W256-F281 HydrophobicContact CZ3-CD2 3.71Å; W256-F281 HydrophobicContact CZ3-CE1 4.27Å; W256-F281 AromaticContact CZ3-CE2 3.71Å; W256-F281 HydrophobicContact CZ3-CE2 3.71Å; W256-F281 HydrophobicContact CZ3-CG 4.03Å; W256-F281 AromaticContact CZ3-CZ 4Å; W256-F281 HydrophobicContact CZ3-CZ 4Å |
| 257 | G | 93.5 | Very high | 91.4 | Very high | 20 Ų | 20 | 64.4 Ų | 64.4 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 76.3 | -162.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y184 N259 R279 | Y184-G257 WeakPolarHBondContact OH-CA 3.46Å; Y184-G257 PolarHBondContact OH-N 3.27Å; Y184-G257 VanDerWaalsContact OH-N 3.16Å; G257-N259 PolarHBondContact O-N 3.28Å; G257-R279 VanDerWaalsContact C-NH1 3.33Å; G257-R279 PolarHBondContact O-NH1 2.94Å |
| 258 | D | 92.9 | Very high | 91.4 | Very high | 97 Ų | 97 | 60.7 Ų | 60.7 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -78.6 | 64.6 | 177.5 | -66.8 | -29.6 | 0 | 0 | 0 | 111.1 | F260 K270 R279 | D258-F260 HydrophobicContact CB-CE2 3.96Å; D258-K270 CarbonylContact O-C 3.51Å; D258-K270 VanDerWaalsContact O-CA 3.25Å; D258-K270 WeakPolarHBondContact O-CA 3.4Å; D258-K270 VanDerWaalsContact O-O 3.07Å; D258-R279 IonicContact OD1-CZ 3.19Å; D258-R279 IonicContact OD1-NH1 3.62Å; D258-R279 PolarHBondContact OD1-NH1 2.97Å; D258-R279 IonicContact OD1-NH2 2.89Å |
| 259 | N | 93.4 | Very high | 91.5 | Very high | 22 Ų | 22 | 62.1 Ų | 62.1 | 12% | 0.118 | 31% | 0.313 | C | S | . | . | trans | -118 | 118.9 | 170.4 | -72.3 | -76.5 | 0 | 0 | 0 | 107.9 | K253 R254 W256 G257 W268 R279 G280 | K253-N259 PolarHBondContact O-ND2 3.22Å; R254-N259 WeakPolarHBondContact O-CB 3.39Å; W256-N259 PolarHBondContact O-ND2 3.28Å; G257-N259 PolarHBondContact O-N 3.28Å; N259-W268 HydrophobicContact CB-CE3 4.25Å; N259-W268 HydrophobicContact CB-CZ3 4.25Å; N259-R279 CarbonylContact O-C 3.56Å; N259-R279 WeakPolarHBondContact O-CA 3.28Å; N259-G280 PolarHBondContact O-N 3.06Å | ||
| 260 | F | 94.5 | Very high | 91.6 | Very high | 5 Ų | 5 | 67.6 Ų | 67.6 | 2% | 0.022 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.3 | -177.5 | -57.4 | -90.4 | 0 | 0 | 0 | 110 | D258 W268 T269 K272 P273 V278 R279 | D258-F260 HydrophobicContact CB-CE2 3.96Å; F260-W268 CarbonylContact O-C 3.55Å; F260-W268 VanDerWaalsContact O-CA 3.27Å; F260-W268 WeakPolarHBondContact O-CA 3.35Å; F260-T269 PolarHBondContact N-O 3.31Å; F260-T269 PolarHBondContact O-N 3.25Å; F260-K272 HydrophobicContact CE1-CB 4.22Å; F260-K272 HydrophobicContact CE1-CG 3.97Å; F260-K272 HydrophobicContact CE2-CB 3.93Å; F260-K272 HydrophobicContact CZ-CB 3.72Å; F260-K272 HydrophobicContact CZ-CG 3.94Å; F260-P273 HydrophobicContact CB-CG 4.24Å; F260-V278 CarbonylContact C-O 3.58Å; F260-V278 WeakPolarHBondContact CA-O 3.5Å; F260-R279 HydrophobicContact CD1-CB 4.14Å; F260-R279 HydrophobicContact CE1-CB 4.04Å |
| 261 | Y | 93 | Very high | 91.4 | Very high | 25 Ų | 25 | 72 Ų | 72 | 10% | 0.098 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.2 | 178.5 | -177 | -102.8 | 0 | 0 | 0 | 110.3 | F244 A263 W268 V278 Q283 F284 | F244-Y261 HydrophobicContact CE1-CE2 4.2Å; Y261-A263 HydrophobicContact CE1-CB 4.28Å; Y261-W268 AromaticContact CD2-CD2 3.87Å; Y261-W268 HydrophobicContact CD2-CD2 3.87Å; Y261-W268 AromaticContact CD2-CE2 3.59Å; Y261-W268 HydrophobicContact CD2-CE3 4.43Å; Y261-W268 HydrophobicContact CD2-CG 4.2Å; Y261-W268 AromaticContact CD2-CZ2 3.97Å; Y261-W268 HydrophobicContact CD2-CZ2 3.97Å; Y261-W268 AromaticContact CD2-NE1 3.71Å; Y261-W268 AromaticContact CE2-NE1 4Å; Y261-W268 HydrophobicContact CG-CZ2 4.43Å; Y261-V278 PolarHBondContact N-O 2.94Å; Y261-V278 PolarHBondContact O-N 3.29Å; Y261-Q283 HydrophobicContact CD1-CG 4.13Å; Y261-F284 AromaticContact CD1-CE2 3.9Å; Y261-F284 HydrophobicContact CD1-CE2 3.9Å; Y261-F284 AromaticContact CD1-CZ 3.46Å; Y261-F284 HydrophobicContact CD1-CZ 3.46Å; Y261-F284 VanDerWaalsContact CD1-CZ 3.46Å; Y261-F284 HydrophobicContact CD2-CE2 4.26Å; Y261-F284 HydrophobicContact CD2-CZ 4.09Å; Y261-F284 HydrophobicContact CE1-CE1 4.5Å; Y261-F284 AromaticContact CE1-CZ 3.71Å; Y261-F284 HydrophobicContact CE1-CZ 3.71Å; Y261-F284 HydrophobicContact CE2-CZ 4.31Å; Y261-F284 AromaticContact CG-CE2 3.7Å; Y261-F284 HydrophobicContact CG-CE2 3.7Å; Y261-F284 AromaticContact CG-CZ 3.64Å; Y261-F284 HydrophobicContact CG-CZ 3.64Å |
| 262 | N | 91.8 | Very high | 90.9 | Very high | 28 Ų | 28 | 79.5 Ų | 79.5 | 15% | 0.15 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 113.2 | 172.6 | -178.2 | -45 | 0 | 0 | 0 | 109.4 | K264 T265 K266 K267 D276 | N262-K264 VanDerWaalsContact C-N 3.27Å; N262-K264 PolarHBondContact O-N 3.2Å; N262-K264 WeakPolarHBondContact OD1-CA 3.47Å; N262-K264 WeakPolarHBondContact OD1-CB 3.24Å; N262-K264 PolarHBondContact OD1-N 3.39Å; N262-T265 WeakPolarHBondContact CB-OG1 3.4Å; N262-T265 PolarHBondContact O-N 2.84Å; N262-T265 PolarHBondContact OD1-N 2.93Å; N262-T265 PolarHBondContact OD1-OG1 3.37Å; N262-K266 VanDerWaalsContact O-CA 3.25Å; N262-K266 WeakPolarHBondContact O-CA 3.49Å; N262-K266 PolarHBondContact O-N 3.23Å; N262-K267 PolarHBondContact N-O 3.06Å; N262-D276 WeakPolarHBondContact ND2-CB 3.41Å |
| 263 | A | 88.1 | Confident | 90.2 | Very high | 62 Ų | 62 | 81.3 Ų | 81.3 | 51% | 0.512 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -24.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y261 | Y261-A263 HydrophobicContact CE1-CB 4.28Š|
| 264 | K | 88.8 | Confident | 89.3 | Confident | 152 Ų | 152 | 79.8 Ų | 79.8 | 66% | 0.661 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -47.5 | 178.7 | -59.6 | 177.1 | -175.4 | 166.4 | 0 | 111.2 | N262 D276 | N262-K264 VanDerWaalsContact C-N 3.27Å; N262-K264 PolarHBondContact O-N 3.2Å; N262-K264 WeakPolarHBondContact OD1-CA 3.47Å; N262-K264 WeakPolarHBondContact OD1-CB 3.24Å; N262-K264 PolarHBondContact OD1-N 3.39Å; K264-D276 IonicContact NZ-OD1 2.6Å; K264-D276 PolarHBondContact NZ-OD1 2.94Å; K264-D276 IonicContact NZ-OD2 2.65Å; K264-D276 PolarHBondContact NZ-OD2 3.04Å |
| 265 | T | 88.5 | Confident | 88.7 | Confident | 78 Ų | 78 | 79.2 Ų | 79.2 | 48% | 0.479 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -12.4 | -177.8 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | N262 K267 | N262-T265 WeakPolarHBondContact CB-OG1 3.4Å; N262-T265 PolarHBondContact O-N 2.84Å; N262-T265 PolarHBondContact OD1-N 2.93Å; N262-T265 PolarHBondContact OD1-OG1 3.37Å; T265-K267 PolarHBondContact O-N 2.98Å |
| 266 | K | 86.8 | Confident | 88 | Confident | 159 Ų | 159 | 83.2 Ų | 83.2 | 69% | 0.691 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 27.7 | -173.1 | -56.9 | -179 | 179.5 | 177.6 | 0 | 113.4 | N262 | N262-K266 VanDerWaalsContact O-CA 3.25Å; N262-K266 WeakPolarHBondContact O-CA 3.49Å; N262-K266 PolarHBondContact O-N 3.23Å |
| 267 | K | 89.6 | Confident | 87.6 | Confident | 145 Ų | 145 | 82.4 Ų | 82.4 | 63% | 0.63 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 148.3 | -178.9 | -69.5 | -176.5 | 178.8 | -177.8 | 0 | 111.9 | N262 T265 | N262-K267 PolarHBondContact N-O 3.06Å; T265-K267 PolarHBondContact O-N 2.98Å |
| 268 | W | 90 | Very high | 87.6 | Confident | 48 Ų | 48 | 84 Ų | 84 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 133.5 | 171.5 | -69 | 93.3 | 0 | 0 | 0 | 110.4 | R254 F255 N259 F260 Y261 F284 | R254-W268 HydrophobicContact CB-CD2 4.3Å; R254-W268 HydrophobicContact CB-CE3 4.13Å; R254-W268 HydrophobicContact CB-CH2 3.72Å; R254-W268 HydrophobicContact CB-CZ2 3.92Å; R254-W268 HydrophobicContact CB-CZ3 3.85Å; R254-W268 HydrophobicContact CG-CD2 4.49Å; R254-W268 WeakPolarHBondContact O-CZ3 3.25Å; F255-W268 HydrophobicContact CD1-CH2 4.09Å; F255-W268 HydrophobicContact CE1-CH2 4.26Å; N259-W268 HydrophobicContact CB-CE3 4.25Å; N259-W268 HydrophobicContact CB-CZ3 4.25Å; F260-W268 CarbonylContact O-C 3.55Å; F260-W268 VanDerWaalsContact O-CA 3.27Å; F260-W268 WeakPolarHBondContact O-CA 3.35Å; Y261-W268 AromaticContact CD2-CD2 3.87Å; Y261-W268 HydrophobicContact CD2-CD2 3.87Å; Y261-W268 AromaticContact CD2-CE2 3.59Å; Y261-W268 HydrophobicContact CD2-CE3 4.43Å; Y261-W268 HydrophobicContact CD2-CG 4.2Å; Y261-W268 AromaticContact CD2-CZ2 3.97Å; Y261-W268 HydrophobicContact CD2-CZ2 3.97Å; Y261-W268 AromaticContact CD2-NE1 3.71Å; Y261-W268 AromaticContact CE2-NE1 4Å; Y261-W268 HydrophobicContact CG-CZ2 4.43Å; W268-F284 AromaticContact CH2-CD2 3.7Å; W268-F284 HydrophobicContact CH2-CD2 3.7Å; W268-F284 AromaticContact CH2-CE2 3.31Å; W268-F284 HydrophobicContact CH2-CE2 3.31Å; W268-F284 HydrophobicContact CH2-CZ 4.35Å; W268-F284 HydrophobicContact CZ2-CD2 4.22Å; W268-F284 AromaticContact CZ2-CE2 3.53Å; W268-F284 HydrophobicContact CZ2-CE2 3.53Å; W268-F284 HydrophobicContact CZ2-CZ 4.16Å; W268-F284 HydrophobicContact CZ3-CE2 4.24Å |
| 269 | T | 91.7 | Very high | 87.7 | Confident | 62 Ų | 62 | 79.8 Ų | 79.8 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 153.5 | 172.9 | 60.2 | 0 | 0 | 0 | 0 | 110.4 | F260 E271 | F260-T269 PolarHBondContact N-O 3.31Å; F260-T269 PolarHBondContact O-N 3.25Å; T269-E271 PolarHBondContact OG1-O 3.06Å |
| 270 | K | 89.8 | Confident | 87.7 | Confident | 163 Ų | 163 | 78.8 Ų | 78.8 | 71% | 0.709 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -92.5 | -28.8 | 173.5 | -70.8 | -170.7 | 174.9 | -173 | 0 | 113 | D258 | D258-K270 CarbonylContact O-C 3.51Å; D258-K270 VanDerWaalsContact O-CA 3.25Å; D258-K270 WeakPolarHBondContact O-CA 3.4Å; D258-K270 VanDerWaalsContact O-O 3.07Å |
| 271 | E | 85.7 | Confident | 87.8 | Confident | 165 Ų | 165 | 78.5 Ų | 78.5 | 77% | 0.771 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -81.8 | 138.3 | 175.1 | -66.9 | 174.9 | -172.6 | 0 | 0 | 109.7 | T269 P273 | T269-E271 PolarHBondContact OG1-O 3.06Å; E271-P273 WeakPolarHBondContact O-CD 3.21Å; E271-P273 VanDerWaalsContact O-N 3.11Å |
| 272 | K | 82.2 | Confident | 88 | Confident | 158 Ų | 158 | 77.7 Ų | 77.7 | 69% | 0.687 | 41% | 0.414 | S | S | * | . | trans | -61.1 | 110.5 | 173.7 | -173.8 | 174.4 | -177.6 | 175.1 | 0 | 108 | F260 | F260-K272 HydrophobicContact CE1-CB 4.22Å; F260-K272 HydrophobicContact CE1-CG 3.97Å; F260-K272 HydrophobicContact CE2-CB 3.93Å; F260-K272 HydrophobicContact CZ-CB 3.72Å; F260-K272 HydrophobicContact CZ-CG 3.94Å | ||
| 273 | P | 78.7 | Confident | 88.1 | Confident | 41 Ų | 41 | 79 Ų | 79 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | trans | -73.5 | 150.5 | -173.5 | 25.8 | -26.5 | 0 | 0 | 0 | 110.9 | F260 E271 S275 G277 | F260-P273 HydrophobicContact CB-CG 4.24Å; E271-P273 WeakPolarHBondContact O-CD 3.21Å; E271-P273 VanDerWaalsContact O-N 3.11Å; P273-S275 PolarHBondContact O-N 3.14Å; P273-G277 VanDerWaalsContact CG-CA 3.42Å | ||
| 274 | A | 73.6 | Confident | 88.4 | Confident | 113 Ų | 113 | 76.5 Ų | 76.5 | 93% | 0.934 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -62.6 | -28.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 275 | S | 79.8 | Confident | 88.8 | Confident | 84 Ų | 84 | 69.3 Ų | 69.3 | 59% | 0.587 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -155 | 160.9 | 174.6 | 59.8 | 0 | 0 | 0 | 0 | 111.8 | P273 G277 | P273-S275 PolarHBondContact O-N 3.14Å; S275-G277 VanDerWaalsContact C-N 3.26Å; S275-G277 PolarHBondContact O-N 2.79Å |
| 276 | D | 81.1 | Confident | 89.1 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 65.2 | -7.3 | 170.7 | -67.1 | -34.8 | 0 | 0 | 0 | 119.2 | N262 K264 | N262-D276 WeakPolarHBondContact ND2-CB 3.41Å; K264-D276 IonicContact NZ-OD1 2.6Å; K264-D276 PolarHBondContact NZ-OD1 2.94Å; K264-D276 IonicContact NZ-OD2 2.65Å; K264-D276 PolarHBondContact NZ-OD2 3.04Å |
| 277 | G | 86.6 | Confident | 89.6 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | P273 S275 | P273-G277 VanDerWaalsContact CG-CA 3.42Å; S275-G277 VanDerWaalsContact C-N 3.26Å; S275-G277 PolarHBondContact O-N 2.79Å |
| 278 | V | 92.6 | Very high | 89.8 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 138.9 | -178.9 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | F260 Y261 G280 N282 Q283 | F260-V278 CarbonylContact C-O 3.58Å; F260-V278 WeakPolarHBondContact CA-O 3.5Å; Y261-V278 PolarHBondContact N-O 2.94Å; Y261-V278 PolarHBondContact O-N 3.29Å; V278-G280 PolarHBondContact O-N 3.41Å; V278-N282 HydrophobicContact CG1-CB 3.9Å; V278-Q283 HydrophobicContact CB-CB 4.14Å; V278-Q283 HydrophobicContact CG1-CB 3.93Å |
| 279 | R | 94.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 3% | 0.034 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 139.1 | 176.4 | -172.6 | -179.7 | -61.1 | -81.1 | 5.4 | 110.5 | E181 Y184 G257 D258 N259 F260 F281 N282 Q283 | E181-R279 IonicContact OE1-CZ 3.97Å; E181-R279 IonicContact OE1-NE 3.09Å; E181-R279 PolarHBondContact OE1-NE 3.04Å; E181-R279 IonicContact OE1-NH2 2.98Å; E181-R279 PolarHBondContact OE1-NH2 3.15Å; E181-R279 IonicContact OE2-CZ 2.75Å; E181-R279 IonicContact OE2-NE 2.86Å; E181-R279 PolarHBondContact OE2-NE 3.16Å; E181-R279 VanDerWaalsContact OE2-NE 3.1Å; E181-R279 IonicContact OE2-NH2 3.39Å; Y184-R279 VanDerWaalsContact CE1-CZ 3.49Å; G257-R279 VanDerWaalsContact C-NH1 3.33Å; G257-R279 PolarHBondContact O-NH1 2.94Å; D258-R279 IonicContact OD1-CZ 3.19Å; D258-R279 IonicContact OD1-NH1 3.62Å; D258-R279 PolarHBondContact OD1-NH1 2.97Å; D258-R279 IonicContact OD1-NH2 2.89Å; N259-R279 CarbonylContact O-C 3.56Å; N259-R279 WeakPolarHBondContact O-CA 3.28Å; F260-R279 HydrophobicContact CD1-CB 4.14Å; F260-R279 HydrophobicContact CE1-CB 4.04Å; R279-F281 VanDerWaalsContact C-N 3.29Å; R279-F281 PolarHBondContact O-N 3.22Å; R279-N282 HydrophobicContact CB-CB 4.32Å; R279-N282 PolarHBondContact O-N 3.13Å; R279-Q283 WeakPolarHBondContact O-CB 3.31Å; R279-Q283 PolarHBondContact O-N 2.88Å |
| 280 | G | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53.1 | -46.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F255 N259 V278 N282 Q283 F284 | F255-G280 CarbonylContact O-C 3.41Å; N259-G280 PolarHBondContact O-N 3.06Å; V278-G280 PolarHBondContact O-N 3.41Å; G280-N282 PolarHBondContact O-N 3.19Å; G280-Q283 PolarHBondContact O-N 3.09Å; G280-F284 WeakPolarHBondContact O-CB 3.48Å; G280-F284 WeakPolarHBondContact O-CD2 3.45Å; G280-F284 PolarHBondContact O-N 3.31Å |
| 281 | F | 96.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.6 | -49 | 176.6 | -168.4 | -106.7 | 0 | 0 | 0 | 111.2 | Y184 F187 F222 F231 L233 F255 W256 R279 Q283 I285 L286 | Y184-F281 HydrophobicContact CD2-CB 3.84Å; Y184-F281 AromaticContact CD2-CD1 3.64Å; Y184-F281 HydrophobicContact CD2-CD1 3.64Å; Y184-F281 HydrophobicContact CD2-CE1 4.39Å; Y184-F281 AromaticContact CD2-CG 3.88Å; Y184-F281 HydrophobicContact CD2-CG 3.88Å; Y184-F281 HydrophobicContact CE2-CB 4.14Å; Y184-F281 HydrophobicContact CE2-CG 4.41Å; Y184-F281 HydrophobicContact CG-CD1 4.42Å; F187-F281 AromaticContact CD2-CE1 3.78Å; F187-F281 HydrophobicContact CD2-CE1 3.78Å; F187-F281 AromaticContact CD2-CZ 3.95Å; F187-F281 HydrophobicContact CD2-CZ 3.95Å; F187-F281 AromaticContact CE2-CE1 3.81Å; F187-F281 HydrophobicContact CE2-CE1 3.81Å; F187-F281 AromaticContact CE2-CZ 3.92Å; F187-F281 HydrophobicContact CE2-CZ 3.92Å; F222-F281 HydrophobicContact CE2-CE2 4.44Å; F231-F281 HydrophobicContact CE2-CE2 4.25Å; F231-F281 HydrophobicContact CE2-CZ 4.36Å; F231-F281 HydrophobicContact CZ-CZ 4.31Å; L233-F281 HydrophobicContact CD2-CD2 3.76Å; L233-F281 HydrophobicContact CD2-CE2 3.76Å; F255-F281 WeakPolarHBondContact O-CA 3.37Å; F255-F281 WeakPolarHBondContact O-CB 3.5Å; F255-F281 PolarHBondContact O-N 2.68Å; W256-F281 AromaticContact CE3-CD2 3.67Å; W256-F281 HydrophobicContact CE3-CD2 3.67Å; W256-F281 HydrophobicContact CE3-CE2 4.02Å; W256-F281 HydrophobicContact CE3-CG 4.14Å; W256-F281 HydrophobicContact CZ3-CD1 4.31Å; W256-F281 AromaticContact CZ3-CD2 3.71Å; W256-F281 HydrophobicContact CZ3-CD2 3.71Å; W256-F281 HydrophobicContact CZ3-CE1 4.27Å; W256-F281 AromaticContact CZ3-CE2 3.71Å; W256-F281 HydrophobicContact CZ3-CE2 3.71Å; W256-F281 HydrophobicContact CZ3-CG 4.03Å; W256-F281 AromaticContact CZ3-CZ 4Å; W256-F281 HydrophobicContact CZ3-CZ 4Å; R279-F281 VanDerWaalsContact C-N 3.29Å; R279-F281 PolarHBondContact O-N 3.22Å; F281-Q283 PolarHBondContact O-N 2.67Å; F281-I285 HydrophobicContact CD2-CB 4.29Å; F281-I285 HydrophobicContact CD2-CD1 3.78Å; F281-I285 HydrophobicContact CD2-CG1 4.49Å; F281-I285 HydrophobicContact CE2-CB 4.33Å; F281-I285 HydrophobicContact CE2-CD1 3.93Å; F281-I285 HydrophobicContact CE2-CG2 4.05Å; F281-I285 HydrophobicContact CZ-CG2 4.28Å; F281-I285 WeakPolarHBondContact O-CA 3.28Å; F281-I285 VanDerWaalsContact O-CB 3.24Å; F281-I285 WeakPolarHBondContact O-CB 3.45Å; F281-I285 PolarHBondContact O-N 3Å; F281-L286 HydrophobicContact CD1-CD1 3.7Å; F281-L286 HydrophobicContact CD1-CD2 4.3Å; F281-L286 HydrophobicContact CD1-CG 3.64Å; F281-L286 HydrophobicContact CE1-CD1 3.65Å; F281-L286 HydrophobicContact CE1-CD2 3.6Å; F281-L286 HydrophobicContact CE1-CG 3.46Å; F281-L286 VanDerWaalsContact CE1-CG 3.46Å; F281-L286 HydrophobicContact CZ-CD2 4.18Å; F281-L286 HydrophobicContact CZ-CG 4.37Å; F281-L286 PolarHBondContact O-N 2.87Å |
| 282 | N | 96.1 | Very high | 91 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -67 | -42.1 | -177.8 | -57.8 | 1.3 | 0 | 0 | 0 | 110.8 | M180 E181 V278 R279 G280 S287 | M180-N282 HydrophobicContact CB-CB 4.05Å; M180-N282 PolarHBondContact O-OD1 3.47Å; M180-N282 HydrophobicContact SD-CB 4.42Å; E181-N282 PolarHBondContact OE2-ND2 2.52Å; V278-N282 HydrophobicContact CG1-CB 3.9Å; R279-N282 HydrophobicContact CB-CB 4.32Å; R279-N282 PolarHBondContact O-N 3.13Å; G280-N282 PolarHBondContact O-N 3.19Å; N282-S287 WeakPolarHBondContact O-CB 3.36Å; N282-S287 PolarHBondContact O-N 2.81Å |
| 283 | Q | 94.6 | Very high | 91.5 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -69.4 | -44 | -176.3 | -179.3 | 60.3 | 26.9 | 0 | 0 | 113 | Y261 V278 R279 G280 F281 | Y261-Q283 HydrophobicContact CD1-CG 4.13Å; V278-Q283 HydrophobicContact CB-CB 4.14Å; V278-Q283 HydrophobicContact CG1-CB 3.93Å; R279-Q283 WeakPolarHBondContact O-CB 3.31Å; R279-Q283 PolarHBondContact O-N 2.88Å; G280-Q283 PolarHBondContact O-N 3.09Å; F281-Q283 PolarHBondContact O-N 2.67Å |
| 284 | F | 94.8 | Very high | 92.2 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -103.9 | -14.3 | -169.6 | -64.4 | -70.4 | 0 | 0 | 0 | 113.7 | F236 Y240 F244 F255 Y261 W268 G280 P288 | F236-F284 WeakPolarHBondContact CD1-O 3.21Å; Y240-F284 HydrophobicContact CD2-CB 4.27Å; Y240-F284 HydrophobicContact CD2-CD1 4.43Å; Y240-F284 HydrophobicContact CE1-CD1 4.48Å; Y240-F284 HydrophobicContact CE2-CB 3.85Å; Y240-F284 HydrophobicContact CE2-CD1 4.2Å; Y240-F284 HydrophobicContact CE2-CG 4.49Å; Y240-F284 WeakPolarHBondContact CE2-O 3.13Å; Y240-F284 PolarHBondContact OH-O 3.02Å; F244-F284 HydrophobicContact CE2-CD1 4.34Å; F244-F284 AromaticContact CE2-CE1 3.83Å; F244-F284 HydrophobicContact CE2-CE1 3.83Å; F244-F284 HydrophobicContact CE2-CZ 4.2Å; F244-F284 HydrophobicContact CZ-CD1 4.41Å; F244-F284 AromaticContact CZ-CE1 3.49Å; F244-F284 HydrophobicContact CZ-CE1 3.49Å; F244-F284 VanDerWaalsContact CZ-CE1 3.49Å; F244-F284 AromaticContact CZ-CZ 3.56Å; F244-F284 HydrophobicContact CZ-CZ 3.56Å; F255-F284 HydrophobicContact CD1-CB 4.16Å; F255-F284 HydrophobicContact CD1-CD2 4Å; F255-F284 HydrophobicContact CD1-CG 4.34Å; F255-F284 HydrophobicContact CE1-CB 3.77Å; F255-F284 AromaticContact CE1-CD2 3.69Å; F255-F284 HydrophobicContact CE1-CD2 3.69Å; F255-F284 HydrophobicContact CE1-CE2 4.48Å; F255-F284 AromaticContact CE1-CG 3.76Å; F255-F284 HydrophobicContact CE1-CG 3.76Å; F255-F284 HydrophobicContact CZ-CB 4.12Å; F255-F284 HydrophobicContact CZ-CG 4.39Å; Y261-F284 AromaticContact CD1-CE2 3.9Å; Y261-F284 HydrophobicContact CD1-CE2 3.9Å; Y261-F284 AromaticContact CD1-CZ 3.46Å; Y261-F284 HydrophobicContact CD1-CZ 3.46Å; Y261-F284 VanDerWaalsContact CD1-CZ 3.46Å; Y261-F284 HydrophobicContact CD2-CE2 4.26Å; Y261-F284 HydrophobicContact CD2-CZ 4.09Å; Y261-F284 HydrophobicContact CE1-CE1 4.5Å; Y261-F284 AromaticContact CE1-CZ 3.71Å; Y261-F284 HydrophobicContact CE1-CZ 3.71Å; Y261-F284 HydrophobicContact CE2-CZ 4.31Å; Y261-F284 AromaticContact CG-CE2 3.7Å; Y261-F284 HydrophobicContact CG-CE2 3.7Å; Y261-F284 AromaticContact CG-CZ 3.64Å; Y261-F284 HydrophobicContact CG-CZ 3.64Å; W268-F284 AromaticContact CH2-CD2 3.7Å; W268-F284 HydrophobicContact CH2-CD2 3.7Å; W268-F284 AromaticContact CH2-CE2 3.31Å; W268-F284 HydrophobicContact CH2-CE2 3.31Å; W268-F284 HydrophobicContact CH2-CZ 4.35Å; W268-F284 HydrophobicContact CZ2-CD2 4.22Å; W268-F284 AromaticContact CZ2-CE2 3.53Å; W268-F284 HydrophobicContact CZ2-CE2 3.53Å; W268-F284 HydrophobicContact CZ2-CZ 4.16Å; W268-F284 HydrophobicContact CZ3-CE2 4.24Å; G280-F284 WeakPolarHBondContact O-CB 3.48Å; G280-F284 WeakPolarHBondContact O-CD2 3.45Å; G280-F284 PolarHBondContact O-N 3.31Å; F284-P288 WeakPolarHBondContact O-CG 3.37Å |
| 285 | I | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -122.3 | -63.1 | -175.6 | -58.3 | -176.5 | 0 | 0 | 0 | 110.5 | F231 L233 F236 F255 F281 S287 P288 I289 | F231-I285 HydrophobicContact CD2-CG2 4.04Å; F231-I285 HydrophobicContact CE1-CG2 4.41Å; F231-I285 HydrophobicContact CE2-CG2 3.32Å; F231-I285 HydrophobicContact CZ-CG2 3.53Å; L233-I285 HydrophobicContact CD2-CD1 3.22Å; F236-I285 HydrophobicContact CB-CD1 4.12Å; F236-I285 HydrophobicContact CB-CG1 3.92Å; F236-I285 HydrophobicContact CD1-CG1 4.19Å; F236-I285 HydrophobicContact CD2-CB 4.38Å; F236-I285 HydrophobicContact CD2-CD1 4.16Å; F236-I285 HydrophobicContact CD2-CG1 3.92Å; F236-I285 HydrophobicContact CD2-CG2 3.92Å; F236-I285 HydrophobicContact CE2-CB 4.48Å; F236-I285 HydrophobicContact CE2-CG1 4.49Å; F236-I285 HydrophobicContact CE2-CG2 3.72Å; F236-I285 HydrophobicContact CG-CB 4.48Å; F236-I285 HydrophobicContact CG-CD1 4.24Å; F236-I285 HydrophobicContact CG-CG1 3.74Å; F236-I285 HydrophobicContact CG-CG2 4.49Å; F236-I285 HydrophobicContact CZ-CG2 4.12Å; F255-I285 HydrophobicContact CB-CD1 4.31Å; F255-I285 HydrophobicContact CD2-CD1 4.18Å; F255-I285 HydrophobicContact CG-CD1 4.47Å; F281-I285 HydrophobicContact CD2-CB 4.29Å; F281-I285 HydrophobicContact CD2-CD1 3.78Å; F281-I285 HydrophobicContact CD2-CG1 4.49Å; F281-I285 HydrophobicContact CE2-CB 4.33Å; F281-I285 HydrophobicContact CE2-CD1 3.93Å; F281-I285 HydrophobicContact CE2-CG2 4.05Å; F281-I285 HydrophobicContact CZ-CG2 4.28Å; F281-I285 WeakPolarHBondContact O-CA 3.28Å; F281-I285 VanDerWaalsContact O-CB 3.24Å; F281-I285 WeakPolarHBondContact O-CB 3.45Å; F281-I285 PolarHBondContact O-N 3Å; I285-S287 PolarHBondContact O-N 2.93Å; I285-P288 WeakPolarHBondContact O-CD 3.47Å; I285-I289 HydrophobicContact CG2-CD1 4.04Å; I285-I289 WeakPolarHBondContact O-CD1 3.4Å; I285-I289 VanDerWaalsContact O-CG1 3.31Å; I285-I289 WeakPolarHBondContact O-CG1 3.18Å; I285-I289 PolarHBondContact O-N 3.21Å |
| 286 | L | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -66.3 | -43.1 | -177.1 | -62.2 | -176.4 | 0 | 0 | 0 | 112.2 | M169 M180 L183 F187 F281 I289 Y290 | M169-L286 HydrophobicContact CE-CD2 3.29Å; M180-L286 HydrophobicContact CB-CB 4.2Å; M180-L286 HydrophobicContact CB-CD1 3.83Å; M180-L286 HydrophobicContact CG-CB 3.81Å; M180-L286 HydrophobicContact CG-CD1 4.24Å; M180-L286 WeakPolarHBondContact O-CD1 3.29Å; M180-L286 HydrophobicContact SD-CB 3.87Å; L183-L286 HydrophobicContact CB-CD1 4.44Å; L183-L286 HydrophobicContact CD2-CD1 4.42Å; L183-L286 HydrophobicContact CD2-CD2 4.14Å; F187-L286 HydrophobicContact CE2-CD2 4.47Å; F281-L286 HydrophobicContact CD1-CD1 3.7Å; F281-L286 HydrophobicContact CD1-CD2 4.3Å; F281-L286 HydrophobicContact CD1-CG 3.64Å; F281-L286 HydrophobicContact CE1-CD1 3.65Å; F281-L286 HydrophobicContact CE1-CD2 3.6Å; F281-L286 HydrophobicContact CE1-CG 3.46Å; F281-L286 VanDerWaalsContact CE1-CG 3.46Å; F281-L286 HydrophobicContact CZ-CD2 4.18Å; F281-L286 HydrophobicContact CZ-CG 4.37Å; F281-L286 PolarHBondContact O-N 2.87Å; L286-I289 CarbonylContact O-C 3.39Å; L286-I289 PolarHBondContact O-N 3.23Å; L286-I289 VanDerWaalsContact O-N 3.09Å; L286-Y290 HydrophobicContact CB-CD2 4.24Å; L286-Y290 HydrophobicContact CB-CE2 4.29Å; L286-Y290 HydrophobicContact CD2-CE2 4.48Å; L286-Y290 WeakPolarHBondContact O-CB 3.45Å; L286-Y290 WeakPolarHBondContact O-CD2 3.23Å; L286-Y290 PolarHBondContact O-N 2.84Å |
| 287 | S | 96 | Very high | 94.2 | Very high | 44 Ų | 44 | 25.6 Ų | 25.6 | 31% | 0.308 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -58.8 | -49.1 | -178.7 | 169.3 | 0 | 0 | 0 | 0 | 112.6 | M180 N282 I285 I289 Y290 K291 | M180-S287 PolarHBondContact SD-N 2.96Å; N282-S287 WeakPolarHBondContact O-CB 3.36Å; N282-S287 PolarHBondContact O-N 2.81Å; I285-S287 PolarHBondContact O-N 2.93Å; S287-I289 PolarHBondContact O-N 2.75Å; S287-Y290 PolarHBondContact O-N 3.33Å; S287-K291 VanDerWaalsContact O-CB 3.26Å; S287-K291 WeakPolarHBondContact O-CB 3.19Å; S287-K291 PolarHBondContact O-N 2.81Å |
| 288 | P | 95.3 | Very high | 94.5 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 10% | 0.097 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.9 | -45.1 | 170 | -30.7 | 37.6 | 0 | 0 | 0 | 114.1 | F284 I285 K291 V292 M311 W335 | F284-P288 WeakPolarHBondContact O-CG 3.37Å; I285-P288 WeakPolarHBondContact O-CD 3.47Å; P288-K291 WeakPolarHBondContact O-CB 3.19Å; P288-K291 PolarHBondContact O-N 3.31Å; P288-V292 WeakPolarHBondContact O-CG2 2.94Å; P288-V292 PolarHBondContact O-N 3.3Å; P288-V292 VanDerWaalsContact O-N 3.09Å; P288-M311 HydrophobicContact CB-CE 4.36Å; P288-W335 HydrophobicContact CB-CH2 3.76Å; P288-W335 HydrophobicContact CB-CZ2 4.41Å |
| 289 | I | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -53.3 | 179.1 | -67.5 | 167 | 0 | 0 | 0 | 110.4 | M169 W229 F231 F236 I285 L286 S287 K291 V292 F293 W335 | M169-I289 HydrophobicContact CE-CD1 4.07Å; M169-I289 HydrophobicContact CE-CG2 4.33Å; W229-I289 HydrophobicContact CH2-CD1 4.48Å; W229-I289 HydrophobicContact CH2-CG2 4.07Å; W229-I289 HydrophobicContact CZ3-CD1 4.06Å; W229-I289 HydrophobicContact CZ3-CG2 4.47Å; F231-I289 HydrophobicContact CD1-CD1 4.08Å; F231-I289 HydrophobicContact CE1-CD1 3.52Å; F231-I289 HydrophobicContact CZ-CD1 3.96Å; F236-I289 HydrophobicContact CE2-CD1 4.41Å; F236-I289 HydrophobicContact CZ-CD1 4.12Å; F236-I289 HydrophobicContact CZ-CG1 4.19Å; I285-I289 HydrophobicContact CG2-CD1 4.04Å; I285-I289 WeakPolarHBondContact O-CD1 3.4Å; I285-I289 VanDerWaalsContact O-CG1 3.31Å; I285-I289 WeakPolarHBondContact O-CG1 3.18Å; I285-I289 PolarHBondContact O-N 3.21Å; L286-I289 CarbonylContact O-C 3.39Å; L286-I289 PolarHBondContact O-N 3.23Å; L286-I289 VanDerWaalsContact O-N 3.09Å; S287-I289 PolarHBondContact O-N 2.75Å; I289-K291 PolarHBondContact O-N 2.86Å; I289-V292 WeakPolarHBondContact O-CA 3.32Å; I289-V292 WeakPolarHBondContact O-CB 3.43Å; I289-V292 PolarHBondContact O-N 3.22Å; I289-F293 HydrophobicContact CG2-CD2 3.8Å; I289-F293 HydrophobicContact CG2-CE2 3.67Å; I289-F293 WeakPolarHBondContact O-CD2 3.1Å; I289-F293 PolarHBondContact O-N 3.39Å; I289-W335 HydrophobicContact CG1-CH2 4.31Å; I289-W335 HydrophobicContact CG1-CZ3 4.02Å |
| 290 | Y | 95.5 | Very high | 94.3 | Very high | 46 Ų | 46 | 37.7 Ų | 37.7 | 18% | 0.18 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.3 | -37.2 | 178.1 | -86.2 | -119.1 | 0 | 0 | 0 | 111.5 | V173 C178 M180 L183 L286 S287 V292 F293 D294 | V173-Y290 HydrophobicContact CG1-CD1 4.42Å; V173-Y290 HydrophobicContact CG1-CE1 4.23Å; V173-Y290 HydrophobicContact CG1-CE2 4.35Å; V173-Y290 HydrophobicContact CG2-CD2 4.36Å; V173-Y290 HydrophobicContact CG2-CE2 3.66Å; C178-Y290 WeakPolarHBondContact O-CE1 3.22Å; C178-Y290 PolarHBondContact O-OH 2.79Å; M180-Y290 HydrophobicContact CG-CD1 4.31Å; M180-Y290 HydrophobicContact CG-CD2 4.2Å; M180-Y290 HydrophobicContact CG-CE1 4.24Å; M180-Y290 HydrophobicContact CG-CE2 4.12Å; M180-Y290 HydrophobicContact CG-CG 4.29Å; L183-Y290 HydrophobicContact CD2-CE2 4.21Å; L286-Y290 HydrophobicContact CB-CD2 4.24Å; L286-Y290 HydrophobicContact CB-CE2 4.29Å; L286-Y290 HydrophobicContact CD2-CE2 4.48Å; L286-Y290 WeakPolarHBondContact O-CB 3.45Å; L286-Y290 WeakPolarHBondContact O-CD2 3.23Å; L286-Y290 PolarHBondContact O-N 2.84Å; S287-Y290 PolarHBondContact O-N 3.33Å; Y290-V292 PolarHBondContact O-N 3.16Å; Y290-F293 PolarHBondContact O-N 3.27Å; Y290-D294 WeakPolarHBondContact O-CB 3.12Å; Y290-D294 PolarHBondContact O-N 3.19Å |
| 291 | K | 95.1 | Very high | 94 | Very high | 114 Ų | 114 | 42.9 Ų | 42.9 | 50% | 0.496 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 175.2 | -169.7 | 177.6 | -178.5 | -176.5 | 0 | 112 | S287 P288 I289 T295 L307 | S287-K291 VanDerWaalsContact O-CB 3.26Å; S287-K291 WeakPolarHBondContact O-CB 3.19Å; S287-K291 PolarHBondContact O-N 2.81Å; P288-K291 WeakPolarHBondContact O-CB 3.19Å; P288-K291 PolarHBondContact O-N 3.31Å; I289-K291 PolarHBondContact O-N 2.86Å; K291-T295 WeakPolarHBondContact O-CB 3.3Å; K291-T295 PolarHBondContact O-N 2.77Å; K291-T295 PolarHBondContact O-OG1 2.85Å; K291-L307 HydrophobicContact CD-CD1 3.88Å; K291-L307 HydrophobicContact CD-CD2 4.47Å; K291-L307 HydrophobicContact CG-CD1 4.3Å; K291-L307 HydrophobicContact CG-CD2 3.98Å |
| 292 | V | 94.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -47.5 | 173.1 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | P288 I289 Y290 T295 I296 L307 M311 L328 L332 W335 | P288-V292 WeakPolarHBondContact O-CG2 2.94Å; P288-V292 PolarHBondContact O-N 3.3Å; P288-V292 VanDerWaalsContact O-N 3.09Å; I289-V292 WeakPolarHBondContact O-CA 3.32Å; I289-V292 WeakPolarHBondContact O-CB 3.43Å; I289-V292 PolarHBondContact O-N 3.22Å; Y290-V292 PolarHBondContact O-N 3.16Å; V292-T295 PolarHBondContact O-N 3.38Å; V292-I296 HydrophobicContact CG1-CD1 3.65Å; V292-I296 HydrophobicContact CG1-CG1 4.36Å; V292-I296 WeakPolarHBondContact O-CB 3.45Å; V292-I296 WeakPolarHBondContact O-CG1 3.48Å; V292-I296 PolarHBondContact O-N 3.49Å; V292-L307 HydrophobicContact CG2-CD2 4.43Å; V292-M311 HydrophobicContact CG2-CE 3.59Å; V292-M311 HydrophobicContact CG2-SD 3.3Å; V292-M311 WeakPolarHBondContact CG2-SD 3.48Å; V292-L328 HydrophobicContact CG1-CD1 4.02Å; V292-L332 HydrophobicContact CB-CD2 4.29Å; V292-L332 HydrophobicContact CG1-CD2 3.84Å; V292-L332 HydrophobicContact CG1-CG 4.27Å; V292-W335 HydrophobicContact CG2-CE3 4.17Å; V292-W335 HydrophobicContact CG2-CZ3 3.87Å |
| 293 | F | 94 | Very high | 93.5 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 4% | 0.044 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.3 | -52.7 | 176.8 | -86.5 | -99 | 0 | 0 | 0 | 111.6 | D170 V173 T174 W229 I289 Y290 M297 L328 L332 | D170-F293 HydrophobicContact CB-CE1 4.5Å; D170-F293 HydrophobicContact CB-CZ 4.33Å; V173-F293 HydrophobicContact CB-CD1 4.44Å; V173-F293 HydrophobicContact CB-CE1 4.34Å; V173-F293 HydrophobicContact CG1-CB 4.23Å; V173-F293 HydrophobicContact CG1-CD1 3.8Å; V173-F293 HydrophobicContact CG1-CD2 4.24Å; V173-F293 HydrophobicContact CG1-CE1 4.18Å; V173-F293 HydrophobicContact CG1-CG 3.84Å; T174-F293 HydrophobicContact CG2-CD1 3.64Å; T174-F293 HydrophobicContact CG2-CE1 3.57Å; W229-F293 HydrophobicContact CZ2-CE2 4.09Å; W229-F293 HydrophobicContact CZ2-CZ 4.09Å; I289-F293 HydrophobicContact CG2-CD2 3.8Å; I289-F293 HydrophobicContact CG2-CE2 3.67Å; I289-F293 WeakPolarHBondContact O-CD2 3.1Å; I289-F293 PolarHBondContact O-N 3.39Å; Y290-F293 PolarHBondContact O-N 3.27Å; F293-M297 VanDerWaalsContact O-CB 3.24Å; F293-M297 WeakPolarHBondContact O-CB 3.48Å; F293-M297 WeakPolarHBondContact O-CG 3.2Å; F293-M297 PolarHBondContact O-N 3.3Å; F293-M297 VanDerWaalsContact O-N 3.08Å; F293-L328 HydrophobicContact CD1-CD1 4.39Å; F293-L328 HydrophobicContact CD1-CD2 3.59Å; F293-L328 HydrophobicContact CD2-CD1 4.45Å; F293-L328 HydrophobicContact CE1-CD2 3.67Å; F293-L328 HydrophobicContact CG-CD1 4.27Å; F293-L328 HydrophobicContact CG-CD2 4.27Å; F293-L328 HydrophobicContact CZ-CD2 4.41Å; F293-L332 HydrophobicContact CD2-CD1 4.26Å; F293-L332 HydrophobicContact CE2-CD1 3.53Å; F293-L332 HydrophobicContact CZ-CD1 3.76Å |
| 294 | D | 93.4 | Very high | 93.4 | Very high | 59 Ų | 59 | 50.2 Ų | 50.2 | 32% | 0.316 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.8 | -41.8 | -178.5 | -170.6 | 56.3 | 0 | 0 | 0 | 112.2 | Y290 M297 R298 | Y290-D294 WeakPolarHBondContact O-CB 3.12Å; Y290-D294 PolarHBondContact O-N 3.19Å; D294-M297 PolarHBondContact O-N 2.85Å; D294-R298 WeakPolarHBondContact O-CB 3.27Å; D294-R298 PolarHBondContact O-N 3.46Å; D294-R298 WeakPolarHBondContact OD1-CD 3.43Å; D294-R298 IonicContact OD1-CZ 2.87Å; D294-R298 IonicContact OD1-NE 3.58Å; D294-R298 IonicContact OD1-NH1 3.04Å; D294-R298 PolarHBondContact OD1-NH1 3.09Å |
| 295 | T | 94.4 | Very high | 93.3 | Very high | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.08 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.5 | -45.2 | -178 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | K291 V292 K299 Q304 L307 | K291-T295 WeakPolarHBondContact O-CB 3.3Å; K291-T295 PolarHBondContact O-N 2.77Å; K291-T295 PolarHBondContact O-OG1 2.85Å; V292-T295 PolarHBondContact O-N 3.38Å; T295-K299 HydrophobicContact CG2-CB 3.94Å; T295-K299 HydrophobicContact CG2-CG 4.12Å; T295-K299 WeakPolarHBondContact O-CA 3.47Å; T295-K299 VanDerWaalsContact O-CB 3.24Å; T295-K299 WeakPolarHBondContact O-CB 3.43Å; T295-K299 PolarHBondContact O-N 3.04Å; T295-Q304 HydrophobicContact CG2-CG 4.01Å; T295-Q304 WeakPolarHBondContact O-CG 3.21Å; T295-Q304 PolarHBondContact O-NE2 3.21Å; T295-L307 HydrophobicContact CG2-CB 4.29Å; T295-L307 HydrophobicContact CG2-CD2 3.84Å; T295-L307 VanDerWaalsContact OG1-CD2 3.3Å; T295-L307 WeakPolarHBondContact OG1-CD2 3.46Å |
| 296 | I | 92.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.8 | -36.1 | -180 | -65.2 | 178 | 0 | 0 | 0 | 111.7 | V292 Q304 L308 R327 L328 A331 | V292-I296 HydrophobicContact CG1-CD1 3.65Å; V292-I296 HydrophobicContact CG1-CG1 4.36Å; V292-I296 WeakPolarHBondContact O-CB 3.45Å; V292-I296 WeakPolarHBondContact O-CG1 3.48Å; V292-I296 PolarHBondContact O-N 3.49Å; I296-Q304 HydrophobicContact CG1-CG 4.4Å; I296-Q304 PolarHBondContact O-NE2 3.33Å; I296-Q304 VanDerWaalsContact O-NE2 3.11Å; I296-L308 HydrophobicContact CD1-CD2 4.49Å; I296-R327 HydrophobicContact CG2-CB 4.45Å; I296-R327 HydrophobicContact CG2-CG 4.36Å; I296-L328 HydrophobicContact CB-CB 4.5Å; I296-L328 HydrophobicContact CB-CD1 4.26Å; I296-L328 HydrophobicContact CD1-CB 4.46Å; I296-L328 HydrophobicContact CD1-CD1 3.87Å; I296-L328 HydrophobicContact CG2-CB 3.87Å; I296-A331 HydrophobicContact CD1-CB 3.48Å; I296-A331 VanDerWaalsContact CD1-CB 3.48Å |
| 297 | M | 90.2 | Very high | 93.1 | Very high | 77 Ų | 77 | 58.7 Ų | 58.7 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -84.7 | -21.7 | -175.9 | -65.1 | -63.1 | -60.5 | 0 | 0 | 114.3 | F293 D294 D324 L328 | F293-M297 VanDerWaalsContact O-CB 3.24Å; F293-M297 WeakPolarHBondContact O-CB 3.48Å; F293-M297 WeakPolarHBondContact O-CG 3.2Å; F293-M297 PolarHBondContact O-N 3.3Å; F293-M297 VanDerWaalsContact O-N 3.08Å; D294-M297 PolarHBondContact O-N 2.85Å; M297-D324 HydrophobicContact CE-CB 4.42Å; M297-D324 HydrophobicContact SD-CB 3.86Å; M297-L328 HydrophobicContact CG-CD2 4.36Å; M297-L328 HydrophobicContact SD-CD2 4.28Å |
| 298 | R | 91.8 | Very high | 93 | Very high | 184 Ų | 184 | 56.9 Ų | 56.9 | 69% | 0.694 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -132.2 | -14.6 | -170.7 | -53.1 | -168.5 | -175.2 | 147.1 | -10.4 | 115.8 | D294 | D294-R298 WeakPolarHBondContact O-CB 3.27Å; D294-R298 PolarHBondContact O-N 3.46Å; D294-R298 WeakPolarHBondContact OD1-CD 3.43Å; D294-R298 IonicContact OD1-CZ 2.87Å; D294-R298 IonicContact OD1-NE 3.58Å; D294-R298 IonicContact OD1-NH1 3.04Å; D294-R298 PolarHBondContact OD1-NH1 3.09Å |
| 299 | K | 92.8 | Very high | 92.9 | Very high | 96 Ų | 96 | 60.1 Ų | 60.1 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -106.4 | 166.4 | -173.9 | -55.7 | -65.4 | -176.3 | 177.2 | 0 | 112.3 | T295 E303 Q304 | T295-K299 HydrophobicContact CG2-CB 3.94Å; T295-K299 HydrophobicContact CG2-CG 4.12Å; T295-K299 WeakPolarHBondContact O-CA 3.47Å; T295-K299 VanDerWaalsContact O-CB 3.24Å; T295-K299 WeakPolarHBondContact O-CB 3.43Å; T295-K299 PolarHBondContact O-N 3.04Å; K299-E303 HydrophobicContact CB-CB 4.11Å; K299-Q304 PolarHBondContact O-NE2 2.85Å |
| 300 | S | 91 | Very high | 92.6 | Very high | 57 Ų | 57 | 67.2 Ų | 67.2 | 40% | 0.399 | 32% | 0.319 | S | S | . | . | trans | -66.5 | 160.1 | -179.5 | 67.1 | 0 | 0 | 0 | 0 | 112.5 | D302 E303 Q304 | S300-D302 VanDerWaalsContact C-N 3.27Å; S300-D302 PolarHBondContact O-N 3.47Å; S300-E303 WeakPolarHBondContact CB-OE2 3.32Å; S300-E303 PolarHBondContact N-OE2 3.04Å; S300-E303 PolarHBondContact O-N 3.31Å; S300-E303 WeakPolarHBondContact OG-CG 3.18Å; S300-E303 PolarHBondContact OG-N 3.48Å; S300-E303 PolarHBondContact OG-OE2 2.99Å; S300-Q304 VanDerWaalsContact O-CG 3.26Å; S300-Q304 WeakPolarHBondContact O-CG 3.49Å; S300-Q304 PolarHBondContact O-N 2.65Å | ||
| 301 | K | 87.6 | Confident | 92.3 | Very high | 108 Ų | 108 | 66.9 Ų | 66.9 | 47% | 0.47 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.2 | -36.2 | 178.6 | -68.8 | -167.3 | 174.8 | -171.5 | 0 | 112.7 | Q304 I305 L320 | K301-Q304 WeakPolarHBondContact O-CB 3.2Å; K301-Q304 PolarHBondContact O-N 3.44Å; K301-I305 VanDerWaalsContact O-CG1 3.31Å; K301-I305 WeakPolarHBondContact O-CG1 3.37Å; K301-I305 PolarHBondContact O-N 2.91Å; K301-L320 PolarHBondContact NZ-O 2.93Å |
| 302 | D | 91.6 | Very high | 92 | Very high | 127 Ų | 127 | 64.7 Ų | 64.7 | 68% | 0.679 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.4 | -43.7 | 179.5 | -61.2 | -29.3 | 0 | 0 | 0 | 111.3 | S300 Q304 I305 E306 | S300-D302 VanDerWaalsContact C-N 3.27Å; S300-D302 PolarHBondContact O-N 3.47Å; D302-Q304 VanDerWaalsContact C-N 3.29Å; D302-Q304 PolarHBondContact O-N 3.15Å; D302-I305 PolarHBondContact O-N 2.83Å; D302-E306 PolarHBondContact O-N 3.02Å |
| 303 | E | 91.8 | Very high | 91.8 | Very high | 87 Ų | 87 | 65 Ų | 65 | 41% | 0.407 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.9 | -36.6 | 174.3 | -71 | 170.9 | 97.9 | 0 | 0 | 112 | K299 S300 L307 | K299-E303 HydrophobicContact CB-CB 4.11Å; S300-E303 WeakPolarHBondContact CB-OE2 3.32Å; S300-E303 PolarHBondContact N-OE2 3.04Å; S300-E303 PolarHBondContact O-N 3.31Å; S300-E303 WeakPolarHBondContact OG-CG 3.18Å; S300-E303 PolarHBondContact OG-N 3.48Å; S300-E303 PolarHBondContact OG-OE2 2.99Å; E303-L307 WeakPolarHBondContact O-CB 3.33Å; E303-L307 PolarHBondContact O-N 2.87Å |
| 304 | Q | 91.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 69.6 Ų | 69.6 | 1% | 0.014 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 175.4 | -67.7 | 170.6 | 18.6 | 0 | 0 | 111.4 | T295 I296 K299 S300 K301 D302 E306 L307 L308 | T295-Q304 HydrophobicContact CG2-CG 4.01Å; T295-Q304 WeakPolarHBondContact O-CG 3.21Å; T295-Q304 PolarHBondContact O-NE2 3.21Å; I296-Q304 HydrophobicContact CG1-CG 4.4Å; I296-Q304 PolarHBondContact O-NE2 3.33Å; I296-Q304 VanDerWaalsContact O-NE2 3.11Å; K299-Q304 PolarHBondContact O-NE2 2.85Å; S300-Q304 VanDerWaalsContact O-CG 3.26Å; S300-Q304 WeakPolarHBondContact O-CG 3.49Å; S300-Q304 PolarHBondContact O-N 2.65Å; K301-Q304 WeakPolarHBondContact O-CB 3.2Å; K301-Q304 PolarHBondContact O-N 3.44Å; D302-Q304 VanDerWaalsContact C-N 3.29Å; D302-Q304 PolarHBondContact O-N 3.15Å; Q304-E306 VanDerWaalsContact C-N 3.33Å; Q304-E306 PolarHBondContact O-N 3.49Å; Q304-L307 PolarHBondContact O-N 2.83Å; Q304-L308 WeakPolarHBondContact O-CB 3.27Å; Q304-L308 VanDerWaalsContact O-CG 3.24Å; Q304-L308 WeakPolarHBondContact O-CG 3.49Å; Q304-L308 PolarHBondContact O-N 3.37Å |
| 305 | I | 92.7 | Very high | 91.6 | Very high | 69 Ų | 69 | 67.6 Ų | 67.6 | 35% | 0.354 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 177.7 | -67.5 | 163.7 | 0 | 0 | 0 | 110.2 | K301 D302 L307 L308 T309 L320 | K301-I305 VanDerWaalsContact O-CG1 3.31Å; K301-I305 WeakPolarHBondContact O-CG1 3.37Å; K301-I305 PolarHBondContact O-N 2.91Å; D302-I305 PolarHBondContact O-N 2.83Å; I305-L307 PolarHBondContact O-N 3.13Å; I305-L308 PolarHBondContact O-N 3.33Å; I305-T309 VanDerWaalsContact O-CB 3.29Å; I305-T309 WeakPolarHBondContact O-CB 3.38Å; I305-T309 PolarHBondContact O-N 3.31Å; I305-T309 PolarHBondContact O-OG1 2.97Å; I305-L320 HydrophobicContact CD1-CD1 3.89Å; I305-L320 HydrophobicContact CD1-CD2 4.29Å; I305-L320 HydrophobicContact CG1-CD1 4.06Å; I305-L320 HydrophobicContact CG1-CD2 3.81Å |
| 306 | E | 94.3 | Very high | 91.4 | Very high | 104 Ų | 104 | 70.9 Ų | 70.9 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 179 | -167.5 | -164.8 | 151.1 | 0 | 0 | 111.8 | D302 Q304 K310 | D302-E306 PolarHBondContact O-N 3.02Å; Q304-E306 VanDerWaalsContact C-N 3.33Å; Q304-E306 PolarHBondContact O-N 3.49Å; E306-K310 WeakPolarHBondContact O-CG 3.3Å; E306-K310 PolarHBondContact O-N 3.49Å; E306-K310 VanDerWaalsContact O-N 3.16Å; E306-K310 IonicContact OE1-NZ 2.89Å; E306-K310 PolarHBondContact OE1-NZ 3.33Å |
| 307 | L | 93.7 | Very high | 91.2 | Very high | 15 Ų | 15 | 79 Ų | 79 | 8% | 0.079 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.4 | -48.5 | 179.2 | -179 | 65.7 | 0 | 0 | 0 | 112.1 | K291 V292 T295 E303 Q304 I305 T309 K310 M311 | K291-L307 HydrophobicContact CD-CD1 3.88Å; K291-L307 HydrophobicContact CD-CD2 4.47Å; K291-L307 HydrophobicContact CG-CD1 4.3Å; K291-L307 HydrophobicContact CG-CD2 3.98Å; V292-L307 HydrophobicContact CG2-CD2 4.43Å; T295-L307 HydrophobicContact CG2-CB 4.29Å; T295-L307 HydrophobicContact CG2-CD2 3.84Å; T295-L307 VanDerWaalsContact OG1-CD2 3.3Å; T295-L307 WeakPolarHBondContact OG1-CD2 3.46Å; E303-L307 WeakPolarHBondContact O-CB 3.33Å; E303-L307 PolarHBondContact O-N 2.87Å; Q304-L307 PolarHBondContact O-N 2.83Å; I305-L307 PolarHBondContact O-N 3.13Å; L307-T309 VanDerWaalsContact C-N 3.31Å; L307-T309 PolarHBondContact O-N 3.36Å; L307-K310 WeakPolarHBondContact O-CB 3.3Å; L307-K310 PolarHBondContact O-N 3.08Å; L307-M311 HydrophobicContact CD1-CE 3.76Å; L307-M311 HydrophobicContact CD1-SD 4.47Å; L307-M311 HydrophobicContact CD2-CE 4.33Å; L307-M311 HydrophobicContact CG-CE 4.05Å; L307-M311 HydrophobicContact CG-SD 4.25Å; L307-M311 PolarHBondContact O-N 2.76Å; L307-M311 VanDerWaalsContact O-N 3.14Å |
| 308 | L | 93.2 | Very high | 91.2 | Very high | 7 Ų | 7 | 78.5 Ų | 78.5 | 4% | 0.037 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | -177.5 | -68.8 | 175.3 | 0 | 0 | 0 | 111 | I296 Q304 I305 K310 M311 G312 V313 L315 A331 | I296-L308 HydrophobicContact CD1-CD2 4.49Å; Q304-L308 WeakPolarHBondContact O-CB 3.27Å; Q304-L308 VanDerWaalsContact O-CG 3.24Å; Q304-L308 WeakPolarHBondContact O-CG 3.49Å; Q304-L308 PolarHBondContact O-N 3.37Å; I305-L308 PolarHBondContact O-N 3.33Å; L308-K310 VanDerWaalsContact C-N 3.32Å; L308-K310 PolarHBondContact O-N 2.89Å; L308-M311 CarbonylContact O-C 3.1Å; L308-M311 WeakPolarHBondContact O-CA 3.37Å; L308-M311 PolarHBondContact O-N 3.17Å; L308-G312 PolarHBondContact O-N 2.98Å; L308-G312 VanDerWaalsContact O-N 3.17Å; L308-V313 CarbonylContact C-O 3.57Å; L308-V313 HydrophobicContact CB-CB 4.26Å; L308-V313 HydrophobicContact CD2-CB 4.47Å; L308-V313 HydrophobicContact CD2-CG1 4.49Å; L308-V313 PolarHBondContact O-N 3.22Å; L308-V313 VanDerWaalsContact O-O 3.08Å; L308-L315 HydrophobicContact CD1-CD1 3.48Å; L308-L315 VanDerWaalsContact CD1-CD1 3.48Å; L308-L315 HydrophobicContact CD1-CG 3.9Å; L308-A331 HydrophobicContact CD1-CB 4.14Å; L308-A331 HydrophobicContact CD2-CB 3.84Å |
| 309 | T | 92.9 | Very high | 91.2 | Very high | 83 Ų | 83 | 71.4 Ų | 71.4 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 174.9 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | I305 L307 M311 G312 V313 | I305-T309 VanDerWaalsContact O-CB 3.29Å; I305-T309 WeakPolarHBondContact O-CB 3.38Å; I305-T309 PolarHBondContact O-N 3.31Å; I305-T309 PolarHBondContact O-OG1 2.97Å; L307-T309 VanDerWaalsContact C-N 3.31Å; L307-T309 PolarHBondContact O-N 3.36Å; T309-M311 PolarHBondContact O-N 2.81Å; T309-G312 PolarHBondContact O-N 2.81Å; T309-V313 PolarHBondContact N-O 2.88Å |
| 310 | K | 90.6 | Very high | 91 | Very high | 149 Ų | 149 | 68.1 Ų | 68.1 | 65% | 0.648 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.4 | -25.5 | 174.6 | -76.7 | 171.9 | 175.6 | 168.9 | 0 | 113.6 | E306 L307 L308 G312 | E306-K310 WeakPolarHBondContact O-CG 3.3Å; E306-K310 PolarHBondContact O-N 3.49Å; E306-K310 VanDerWaalsContact O-N 3.16Å; E306-K310 IonicContact OE1-NZ 2.89Å; E306-K310 PolarHBondContact OE1-NZ 3.33Å; L307-K310 WeakPolarHBondContact O-CB 3.3Å; L307-K310 PolarHBondContact O-N 3.08Å; L308-K310 VanDerWaalsContact C-N 3.32Å; L308-K310 PolarHBondContact O-N 2.89Å; K310-G312 VanDerWaalsContact C-N 3.34Å |
| 311 | M | 88 | Confident | 90.9 | Very high | 39 Ų | 39 | 69.3 Ų | 69.3 | 19% | 0.192 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 0.1 | 176 | -67.5 | 177.4 | 171.9 | 0 | 0 | 113.1 | P288 V292 L307 L308 T309 W335 | P288-M311 HydrophobicContact CB-CE 4.36Å; V292-M311 HydrophobicContact CG2-CE 3.59Å; V292-M311 HydrophobicContact CG2-SD 3.3Å; V292-M311 WeakPolarHBondContact CG2-SD 3.48Å; L307-M311 HydrophobicContact CD1-CE 3.76Å; L307-M311 HydrophobicContact CD1-SD 4.47Å; L307-M311 HydrophobicContact CD2-CE 4.33Å; L307-M311 HydrophobicContact CG-CE 4.05Å; L307-M311 HydrophobicContact CG-SD 4.25Å; L307-M311 PolarHBondContact O-N 2.76Å; L307-M311 VanDerWaalsContact O-N 3.14Å; L308-M311 CarbonylContact O-C 3.1Å; L308-M311 WeakPolarHBondContact O-CA 3.37Å; L308-M311 PolarHBondContact O-N 3.17Å; T309-M311 PolarHBondContact O-N 2.81Å; M311-W335 HydrophobicContact CE-CH2 4.35Å; M311-W335 HydrophobicContact CG-CZ2 4.5Å; M311-W335 HydrophobicContact SD-CD2 4.44Å; M311-W335 HydrophobicContact SD-CE3 4.45Å; M311-W335 HydrophobicContact SD-CH2 4.19Å; M311-W335 HydrophobicContact SD-CZ2 4.16Å; M311-W335 HydrophobicContact SD-CZ3 4.32Å |
| 312 | G | 88.6 | Confident | 91.1 | Very high | 68 Ų | 68 | 66.6 Ų | 66.6 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 19.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L308 T309 K310 | L308-G312 PolarHBondContact O-N 2.98Å; L308-G312 VanDerWaalsContact O-N 3.17Å; T309-G312 PolarHBondContact O-N 2.81Å; K310-G312 VanDerWaalsContact C-N 3.34Å |
| 313 | V | 92 | Very high | 91.1 | Very high | 6 Ų | 6 | 64.4 Ų | 64.4 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | trans | -112.2 | 130.2 | -178.6 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | L308 T309 L315 K334 W335 | L308-V313 CarbonylContact C-O 3.57Å; L308-V313 HydrophobicContact CB-CB 4.26Å; L308-V313 HydrophobicContact CD2-CB 4.47Å; L308-V313 HydrophobicContact CD2-CG1 4.49Å; L308-V313 PolarHBondContact O-N 3.22Å; L308-V313 VanDerWaalsContact O-O 3.08Å; T309-V313 PolarHBondContact N-O 2.88Å; V313-L315 HydrophobicContact CG1-CD2 4.42Å; V313-K334 HydrophobicContact CG1-CB 3.87Å; V313-K334 HydrophobicContact CG1-CD 4.42Å; V313-W335 HydrophobicContact CG2-CB 3.61Å; V313-W335 HydrophobicContact CG2-CG 3.91Å | ||
| 314 | T | 92.2 | Very high | 90.9 | Very high | 107 Ų | 107 | 63.5 Ų | 63.5 | 66% | 0.656 | 36% | 0.363 | S | S | * | . | trans | -118.9 | 129.4 | 175.1 | -48.7 | 0 | 0 | 0 | 0 | 110.1 | K334 | T314-K334 PolarHBondContact O-NZ 3.02Š| ||
| 315 | L | 89.8 | Confident | 90.8 | Very high | 17 Ų | 17 | 71 Ų | 71 | 9% | 0.089 | 40% | 0.396 | C | S | . | . | trans | -104.1 | 136.7 | 173.6 | -61 | -175.8 | 0 | 0 | 0 | 109.7 | L308 V313 E319 L320 R327 T330 A331 K334 | L308-L315 HydrophobicContact CD1-CD1 3.48Å; L308-L315 VanDerWaalsContact CD1-CD1 3.48Å; L308-L315 HydrophobicContact CD1-CG 3.9Å; V313-L315 HydrophobicContact CG1-CD2 4.42Å; L315-E319 VanDerWaalsContact CA-OE2 3.24Å; L315-E319 WeakPolarHBondContact CA-OE2 3.34Å; L315-E319 HydrophobicContact CB-CB 4.11Å; L315-E319 HydrophobicContact CD2-CB 4.3Å; L315-L320 HydrophobicContact CB-CD2 4Å; L315-L320 HydrophobicContact CB-CG 3.8Å; L315-L320 HydrophobicContact CD1-CD2 4.01Å; L315-R327 HydrophobicContact CD1-CG 4.17Å; L315-T330 HydrophobicContact CD2-CG2 3.99Å; L315-A331 HydrophobicContact CD1-CB 4.48Å; L315-K334 HydrophobicContact CD2-CD 4.05Å | ||
| 316 | N | 91.3 | Very high | 90.6 | Very high | 82 Ų | 82 | 72.9 Ų | 72.9 | 44% | 0.439 | 40% | 0.404 | S | S | . | . | trans | -78.5 | 171.8 | 172.5 | 67.3 | 37.8 | 0 | 0 | 0 | 111.1 | A318 E319 L320 | N316-A318 VanDerWaalsContact C-N 3.29Å; N316-A318 PolarHBondContact O-N 2.96Å; N316-A318 WeakPolarHBondContact OD1-CB 3.48Å; N316-A318 PolarHBondContact OD1-N 2.79Å; N316-A318 VanDerWaalsContact OD1-N 3.14Å; N316-E319 PolarHBondContact N-OE2 3.49Å; N316-E319 PolarHBondContact ND2-OE1 2.63Å; N316-E319 PolarHBondContact O-N 2.87Å; N316-E319 WeakPolarHBondContact OD1-CB 3.46Å; N316-E319 WeakPolarHBondContact OD1-CG 3.45Å; N316-E319 PolarHBondContact OD1-N 3.14Å; N316-L320 WeakPolarHBondContact O-CG 3.49Å; N316-L320 PolarHBondContact O-N 3.37Å | ||
| 317 | E | 88.2 | Confident | 90.5 | Very high | 175 Ų | 175 | 68.4 Ų | 68.4 | 82% | 0.818 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.6 | -39.1 | -177.8 | -67.3 | -177.4 | 175.1 | 0 | 0 | 113.1 | L320 S321 | E317-L320 PolarHBondContact O-N 2.81Å; E317-S321 WeakPolarHBondContact O-CB 3.24Å; E317-S321 PolarHBondContact O-N 2.81Å |
| 318 | A | 89.3 | Confident | 90.4 | Very high | 66 Ų | 66 | 68.2 Ų | 68.2 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N316 S321 L322 | N316-A318 VanDerWaalsContact C-N 3.29Å; N316-A318 PolarHBondContact O-N 2.96Å; N316-A318 WeakPolarHBondContact OD1-CB 3.48Å; N316-A318 PolarHBondContact OD1-N 2.79Å; N316-A318 VanDerWaalsContact OD1-N 3.14Å; A318-S321 PolarHBondContact O-N 2.91Å; A318-S321 PolarHBondContact O-OG 3.41Å; A318-L322 PolarHBondContact O-N 3.45Å |
| 319 | E | 91.2 | Very high | 90.3 | Very high | 35 Ų | 35 | 70 Ų | 70 | 16% | 0.164 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 178 | -67.8 | 164.7 | 168 | 0 | 0 | 112.4 | L315 N316 S321 L322 T330 K334 | L315-E319 VanDerWaalsContact CA-OE2 3.24Å; L315-E319 WeakPolarHBondContact CA-OE2 3.34Å; L315-E319 HydrophobicContact CB-CB 4.11Å; L315-E319 HydrophobicContact CD2-CB 4.3Å; N316-E319 PolarHBondContact N-OE2 3.49Å; N316-E319 PolarHBondContact ND2-OE1 2.63Å; N316-E319 PolarHBondContact O-N 2.87Å; N316-E319 WeakPolarHBondContact OD1-CB 3.46Å; N316-E319 WeakPolarHBondContact OD1-CG 3.45Å; N316-E319 PolarHBondContact OD1-N 3.14Å; E319-S321 PolarHBondContact O-N 2.78Å; E319-L322 HydrophobicContact CB-CD1 4.48Å; E319-L322 WeakPolarHBondContact O-CB 3.36Å; E319-L322 WeakPolarHBondContact O-CG 3.43Å; E319-L322 PolarHBondContact O-N 3.03Å; E319-T330 HydrophobicContact CB-CG2 4.27Å; E319-T330 HydrophobicContact CG-CG2 3.96Å; E319-K334 VanDerWaalsContact OE1-CE 3.25Å; E319-K334 WeakPolarHBondContact OE1-CE 3.09Å; E319-K334 IonicContact OE1-NZ 2.65Å; E319-K334 PolarHBondContact OE1-NZ 3.04Å; E319-K334 IonicContact OE2-NZ 3.33Å; E319-K334 PolarHBondContact OE2-NZ 3.44Å |
| 320 | L | 89 | Confident | 90.2 | Very high | 27 Ų | 27 | 67.4 Ų | 67.4 | 14% | 0.141 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.7 | -21.6 | 174.1 | -75.9 | 168.9 | 0 | 0 | 0 | 113.1 | K301 I305 L315 N316 E317 R327 | K301-L320 PolarHBondContact NZ-O 2.93Å; I305-L320 HydrophobicContact CD1-CD1 3.89Å; I305-L320 HydrophobicContact CD1-CD2 4.29Å; I305-L320 HydrophobicContact CG1-CD1 4.06Å; I305-L320 HydrophobicContact CG1-CD2 3.81Å; L315-L320 HydrophobicContact CB-CD2 4Å; L315-L320 HydrophobicContact CB-CG 3.8Å; L315-L320 HydrophobicContact CD1-CD2 4.01Å; N316-L320 WeakPolarHBondContact O-CG 3.49Å; N316-L320 PolarHBondContact O-N 3.37Å; E317-L320 PolarHBondContact O-N 2.81Å; L320-R327 PolarHBondContact O-NH1 2.8Å |
| 321 | S | 89.6 | Confident | 90.3 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 57% | 0.573 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -10.9 | 175.8 | 79.8 | 0 | 0 | 0 | 0 | 113.6 | E317 A318 E319 | E317-S321 WeakPolarHBondContact O-CB 3.24Å; E317-S321 PolarHBondContact O-N 2.81Å; A318-S321 PolarHBondContact O-N 2.91Å; A318-S321 PolarHBondContact O-OG 3.41Å; E319-S321 PolarHBondContact O-N 2.78Å |
| 322 | L | 91.1 | Very high | 90.6 | Very high | 50 Ų | 50 | 58.5 Ų | 58.5 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -64.2 | 149.3 | 179.4 | -66.4 | 173.6 | 0 | 0 | 0 | 112.1 | A318 E319 Q326 R327 | A318-L322 PolarHBondContact O-N 3.45Å; E319-L322 HydrophobicContact CB-CD1 4.48Å; E319-L322 WeakPolarHBondContact O-CB 3.36Å; E319-L322 WeakPolarHBondContact O-CG 3.43Å; E319-L322 PolarHBondContact O-N 3.03Å; L322-Q326 HydrophobicContact CB-CB 4.14Å; L322-Q326 HydrophobicContact CD1-CB 4.42Å; L322-R327 HydrophobicContact CB-CB 4.09Å; L322-R327 PolarHBondContact O-NE 3.48Å |
| 323 | P | 90.7 | Very high | 90.7 | Very high | 81 Ų | 81 | 58 Ų | 58 | 53% | 0.526 | 31% | 0.312 | S | S | . | . | trans | -52.8 | 148.7 | 168.5 | -23.7 | 32.4 | 0 | 0 | 0 | 112.2 | K325 Q326 R327 | P323-K325 VanDerWaalsContact C-N 3.28Å; P323-K325 PolarHBondContact O-N 3.35Å; P323-K325 VanDerWaalsContact O-N 3.08Å; P323-Q326 PolarHBondContact O-N 3.27Å; P323-R327 WeakPolarHBondContact O-CB 2.92Å; P323-R327 PolarHBondContact O-N 2.79Å | ||
| 324 | D | 89.1 | Confident | 90.7 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -48.8 | -45.3 | -171.2 | -59.3 | -18.9 | 0 | 0 | 0 | 113.8 | M297 R327 L328 | M297-D324 HydrophobicContact CE-CB 4.42Å; M297-D324 HydrophobicContact SD-CB 3.86Å; D324-R327 PolarHBondContact O-N 3.01Å; D324-R327 IonicContact OD1-CZ 3.58Å; D324-R327 IonicContact OD1-NH2 3.48Å; D324-R327 PolarHBondContact OD1-NH2 3.46Å; D324-L328 VanDerWaalsContact O-CB 3.27Å; D324-L328 WeakPolarHBondContact O-CB 3.23Å; D324-L328 PolarHBondContact O-N 2.93Å |
| 325 | K | 88.4 | Confident | 90.8 | Very high | 162 Ų | 162 | 58.3 Ų | 58.3 | 70% | 0.704 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 178.1 | -66.5 | -173.3 | 178.3 | -176 | 0 | 113 | P323 K329 | P323-K325 VanDerWaalsContact C-N 3.28Å; P323-K325 PolarHBondContact O-N 3.35Å; P323-K325 VanDerWaalsContact O-N 3.08Å; K325-K329 PolarHBondContact O-N 2.84Å |
| 326 | Q | 89.5 | Confident | 91.1 | Very high | 108 Ų | 108 | 57.6 Ų | 57.6 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.2 | -34.7 | 179.9 | -70.5 | 177.9 | -5.6 | 0 | 0 | 111.7 | L322 P323 K329 T330 | L322-Q326 HydrophobicContact CB-CB 4.14Å; L322-Q326 HydrophobicContact CD1-CB 4.42Å; P323-Q326 PolarHBondContact O-N 3.27Å; Q326-K329 WeakPolarHBondContact O-CB 3.49Å; Q326-K329 PolarHBondContact O-N 3.45Å; Q326-T330 WeakPolarHBondContact O-CB 3.36Å; Q326-T330 PolarHBondContact O-N 2.85Å; Q326-T330 PolarHBondContact O-OG1 2.91Å |
| 327 | R | 91.8 | Very high | 91.1 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 4% | 0.038 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 174.3 | -174.6 | 162.1 | 47.6 | 150.8 | 6 | 111.8 | I296 L315 L320 L322 P323 D324 T330 A331 | I296-R327 HydrophobicContact CG2-CB 4.45Å; I296-R327 HydrophobicContact CG2-CG 4.36Å; L315-R327 HydrophobicContact CD1-CG 4.17Å; L320-R327 PolarHBondContact O-NH1 2.8Å; L322-R327 HydrophobicContact CB-CB 4.09Å; L322-R327 PolarHBondContact O-NE 3.48Å; P323-R327 WeakPolarHBondContact O-CB 2.92Å; P323-R327 PolarHBondContact O-N 2.79Å; D324-R327 PolarHBondContact O-N 3.01Å; D324-R327 IonicContact OD1-CZ 3.58Å; D324-R327 IonicContact OD1-NH2 3.48Å; D324-R327 PolarHBondContact OD1-NH2 3.46Å; R327-T330 PolarHBondContact O-N 3.38Å; R327-A331 WeakPolarHBondContact O-CB 3.47Å; R327-A331 PolarHBondContact O-N 3.04Å |
| 328 | L | 92.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 172 | 177.7 | 62.8 | 0 | 0 | 0 | 111.4 | V292 F293 I296 M297 D324 T330 A331 L332 | V292-L328 HydrophobicContact CG1-CD1 4.02Å; F293-L328 HydrophobicContact CD1-CD1 4.39Å; F293-L328 HydrophobicContact CD1-CD2 3.59Å; F293-L328 HydrophobicContact CD2-CD1 4.45Å; F293-L328 HydrophobicContact CE1-CD2 3.67Å; F293-L328 HydrophobicContact CG-CD1 4.27Å; F293-L328 HydrophobicContact CG-CD2 4.27Å; F293-L328 HydrophobicContact CZ-CD2 4.41Å; I296-L328 HydrophobicContact CB-CB 4.5Å; I296-L328 HydrophobicContact CB-CD1 4.26Å; I296-L328 HydrophobicContact CD1-CB 4.46Å; I296-L328 HydrophobicContact CD1-CD1 3.87Å; I296-L328 HydrophobicContact CG2-CB 3.87Å; M297-L328 HydrophobicContact CG-CD2 4.36Å; M297-L328 HydrophobicContact SD-CD2 4.28Å; D324-L328 VanDerWaalsContact O-CB 3.27Å; D324-L328 WeakPolarHBondContact O-CB 3.23Å; D324-L328 PolarHBondContact O-N 2.93Å; L328-T330 VanDerWaalsContact C-N 3.33Å; L328-T330 PolarHBondContact O-N 2.92Å; L328-A331 PolarHBondContact O-N 2.81Å; L328-L332 HydrophobicContact CD1-CD1 3.73Å; L328-L332 HydrophobicContact CD1-CG 4.05Å; L328-L332 HydrophobicContact CG-CD1 4.01Å; L328-L332 WeakPolarHBondContact O-CB 3.37Å; L328-L332 WeakPolarHBondContact O-CG 3.36Å; L328-L332 PolarHBondContact O-N 3.34Å |
| 329 | K | 90.8 | Very high | 91.5 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 19% | 0.191 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -51.9 | -52.5 | 172.4 | 179.7 | 170.4 | 174.6 | 168.1 | 0 | 110.9 | A51 L226 K325 Q326 A331 L332 H333 | A51-K329 PolarHBondContact O-NZ 3.47Å; L226-K329 WeakPolarHBondContact O-CE 3.46Å; L226-K329 PolarHBondContact O-NZ 2.88Å; L226-K329 VanDerWaalsContact O-NZ 3.14Å; K325-K329 PolarHBondContact O-N 2.84Å; Q326-K329 WeakPolarHBondContact O-CB 3.49Å; Q326-K329 PolarHBondContact O-N 3.45Å; K329-A331 PolarHBondContact O-N 3.01Å; K329-L332 PolarHBondContact O-N 3.15Å; K329-H333 WeakPolarHBondContact O-CB 3.26Å; K329-H333 PolarHBondContact O-N 2.83Å |
| 330 | T | 91 | Very high | 91.5 | Very high | 28 Ų | 28 | 44.1 Ų | 44.1 | 17% | 0.172 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | -177.8 | -55 | 0 | 0 | 0 | 0 | 112.2 | L315 E319 Q326 R327 L328 K334 | L315-T330 HydrophobicContact CD2-CG2 3.99Å; E319-T330 HydrophobicContact CB-CG2 4.27Å; E319-T330 HydrophobicContact CG-CG2 3.96Å; Q326-T330 WeakPolarHBondContact O-CB 3.36Å; Q326-T330 PolarHBondContact O-N 2.85Å; Q326-T330 PolarHBondContact O-OG1 2.91Å; R327-T330 PolarHBondContact O-N 3.38Å; L328-T330 VanDerWaalsContact C-N 3.33Å; L328-T330 PolarHBondContact O-N 2.92Å; T330-K334 WeakPolarHBondContact O-CG 3.19Å; T330-K334 PolarHBondContact O-N 2.82Å |
| 331 | A | 93.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -48.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I296 L308 L315 R327 L328 K329 K334 W335 | I296-A331 HydrophobicContact CD1-CB 3.48Å; I296-A331 VanDerWaalsContact CD1-CB 3.48Å; L308-A331 HydrophobicContact CD1-CB 4.14Å; L308-A331 HydrophobicContact CD2-CB 3.84Å; L315-A331 HydrophobicContact CD1-CB 4.48Å; R327-A331 WeakPolarHBondContact O-CB 3.47Å; R327-A331 PolarHBondContact O-N 3.04Å; L328-A331 PolarHBondContact O-N 2.81Å; K329-A331 PolarHBondContact O-N 3.01Å; A331-K334 PolarHBondContact O-N 2.86Å; A331-W335 WeakPolarHBondContact O-CB 3.47Å; A331-W335 PolarHBondContact O-N 3.29Å |
| 332 | L | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.9 | -39.2 | 179 | -70 | 173.1 | 0 | 0 | 0 | 111.9 | W229 V292 F293 L328 K329 K334 W335 L336 | W229-L332 HydrophobicContact CB-CB 3.86Å; W229-L332 HydrophobicContact CD2-CB 4.35Å; W229-L332 HydrophobicContact CD2-CD1 4.3Å; W229-L332 HydrophobicContact CG-CB 3.67Å; W229-L332 HydrophobicContact CG-CD1 4.24Å; W229-L332 HydrophobicContact CG-CG 4.47Å; W229-L332 HydrophobicContact CZ2-CD1 4.46Å; V292-L332 HydrophobicContact CB-CD2 4.29Å; V292-L332 HydrophobicContact CG1-CD2 3.84Å; V292-L332 HydrophobicContact CG1-CG 4.27Å; F293-L332 HydrophobicContact CD2-CD1 4.26Å; F293-L332 HydrophobicContact CE2-CD1 3.53Å; F293-L332 HydrophobicContact CZ-CD1 3.76Å; L328-L332 HydrophobicContact CD1-CD1 3.73Å; L328-L332 HydrophobicContact CD1-CG 4.05Å; L328-L332 HydrophobicContact CG-CD1 4.01Å; L328-L332 WeakPolarHBondContact O-CB 3.37Å; L328-L332 WeakPolarHBondContact O-CG 3.36Å; L328-L332 PolarHBondContact O-N 3.34Å; K329-L332 PolarHBondContact O-N 3.15Å; L332-K334 VanDerWaalsContact C-N 3.35Å; L332-K334 PolarHBondContact O-N 3.01Å; L332-W335 HydrophobicContact CD2-CE3 4.01Å; L332-W335 HydrophobicContact CD2-CZ3 4.38Å; L332-W335 PolarHBondContact O-N 2.94Å; L332-L336 PolarHBondContact O-N 2.76Å |
| 333 | H | 91.1 | Very high | 92.2 | Very high | 58 Ų | 58 | 37 Ų | 37 | 27% | 0.269 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 175.9 | 176.3 | 66.9 | 0 | 0 | 0 | 112 | S228 K329 P337 | S228-H333 PolarHBondContact O-ND1 2.74Å; K329-H333 WeakPolarHBondContact O-CB 3.26Å; K329-H333 PolarHBondContact O-N 2.83Å; H333-P337 VanDerWaalsContact O-CA 3.28Å; H333-P337 WeakPolarHBondContact O-CA 3.42Å; H333-P337 WeakPolarHBondContact O-CG 3.42Å |
| 334 | K | 92 | Very high | 92.3 | Very high | 85 Ų | 85 | 34.7 Ų | 34.7 | 37% | 0.37 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.4 | -32.3 | 175.9 | -75.7 | -173.4 | 175.9 | -174.8 | 0 | 113.2 | V313 T314 L315 E319 T330 A331 L332 | V313-K334 HydrophobicContact CG1-CB 3.87Å; V313-K334 HydrophobicContact CG1-CD 4.42Å; T314-K334 PolarHBondContact O-NZ 3.02Å; L315-K334 HydrophobicContact CD2-CD 4.05Å; E319-K334 VanDerWaalsContact OE1-CE 3.25Å; E319-K334 WeakPolarHBondContact OE1-CE 3.09Å; E319-K334 IonicContact OE1-NZ 2.65Å; E319-K334 PolarHBondContact OE1-NZ 3.04Å; E319-K334 IonicContact OE2-NZ 3.33Å; E319-K334 PolarHBondContact OE2-NZ 3.44Å; T330-K334 WeakPolarHBondContact O-CG 3.19Å; T330-K334 PolarHBondContact O-N 2.82Å; A331-K334 PolarHBondContact O-N 2.86Å; L332-K334 VanDerWaalsContact C-N 3.35Å; L332-K334 PolarHBondContact O-N 3.01Å |
| 335 | W | 94.2 | Very high | 92.6 | Very high | 34 Ų | 34 | 31.6 Ų | 31.6 | 13% | 0.129 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -76.6 | -47.2 | -179 | -170.1 | 25.8 | 0 | 0 | 0 | 112.8 | F236 P288 I289 V292 M311 V313 A331 L332 | F236-W335 AromaticContact CE1-CH2 3.95Å; F236-W335 HydrophobicContact CE1-CH2 3.95Å; F236-W335 AromaticContact CE1-CZ2 3.89Å; F236-W335 HydrophobicContact CE1-CZ2 3.89Å; F236-W335 AromaticContact CZ-CH2 3.99Å; F236-W335 HydrophobicContact CZ-CH2 3.99Å; F236-W335 HydrophobicContact CZ-CZ2 4.19Å; P288-W335 HydrophobicContact CB-CH2 3.76Å; P288-W335 HydrophobicContact CB-CZ2 4.41Å; I289-W335 HydrophobicContact CG1-CH2 4.31Å; I289-W335 HydrophobicContact CG1-CZ3 4.02Å; V292-W335 HydrophobicContact CG2-CE3 4.17Å; V292-W335 HydrophobicContact CG2-CZ3 3.87Å; M311-W335 HydrophobicContact CE-CH2 4.35Å; M311-W335 HydrophobicContact CG-CZ2 4.5Å; M311-W335 HydrophobicContact SD-CD2 4.44Å; M311-W335 HydrophobicContact SD-CE3 4.45Å; M311-W335 HydrophobicContact SD-CH2 4.19Å; M311-W335 HydrophobicContact SD-CZ2 4.16Å; M311-W335 HydrophobicContact SD-CZ3 4.32Å; V313-W335 HydrophobicContact CG2-CB 3.61Å; V313-W335 HydrophobicContact CG2-CG 3.91Å; A331-W335 WeakPolarHBondContact O-CB 3.47Å; A331-W335 PolarHBondContact O-N 3.29Å; L332-W335 HydrophobicContact CD2-CE3 4.01Å; L332-W335 HydrophobicContact CD2-CZ3 4.38Å; L332-W335 PolarHBondContact O-N 2.94Å |
| 336 | L | 94.9 | Very high | 93 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -134.5 | 70 | -171.5 | -61.1 | 173.7 | 0 | 0 | 0 | 109.7 | W229 A230 F231 T235 F236 L332 A338 | W229-L336 CarbonylContact C-O 3.43Å; W229-L336 WeakPolarHBondContact CA-O 3.38Å; W229-L336 HydrophobicContact CB-CB 4.43Å; W229-L336 VanDerWaalsContact CB-O 3.3Å; W229-L336 WeakPolarHBondContact CB-O 3.43Å; W229-L336 HydrophobicContact CE3-CD1 4.36Å; A230-L336 PolarHBondContact N-O 3.18Å; F231-L336 HydrophobicContact CB-CD1 4.42Å; F231-L336 HydrophobicContact CB-CD2 4.44Å; F231-L336 HydrophobicContact CD1-CD1 4.38Å; T235-L336 HydrophobicContact CG2-CD2 3.7Å; F236-L336 HydrophobicContact CE2-CD1 4.06Å; F236-L336 HydrophobicContact CE2-CD2 4.29Å; F236-L336 HydrophobicContact CZ-CD1 3.88Å; F236-L336 HydrophobicContact CZ-CD2 4.36Å; L332-L336 PolarHBondContact O-N 2.76Å; L336-A338 PolarHBondContact O-N 3.11Å |
| 337 | P | 92.8 | Very high | 93.3 | Very high | 36 Ų | 36 | 18.8 Ų | 18.8 | 23% | 0.234 | 9% | 0.093 | C | C | . | . | B | Isolated β-bridge | trans | -58.5 | 123.7 | -173.6 | -20.2 | 29.7 | 0 | 0 | 0 | 112 | H333 G339 D340 S341 | H333-P337 VanDerWaalsContact O-CA 3.28Å; H333-P337 WeakPolarHBondContact O-CA 3.42Å; H333-P337 WeakPolarHBondContact O-CG 3.42Å; P337-G339 VanDerWaalsContact C-N 3.31Å; P337-G339 PolarHBondContact O-N 3.25Å; P337-D340 HydrophobicContact CB-CB 4.4Å; P337-D340 PolarHBondContact O-N 3.46Å; P337-S341 PolarHBondContact O-N 2.85Å |
| 338 | A | 93.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | S228 A230 L336 D340 S341 L342 | S228-A338 VanDerWaalsContact C-CB 3.44Å; S228-A338 WeakPolarHBondContact O-CB 3.39Å; S228-A338 PolarHBondContact O-N 3.23Å; S228-A338 VanDerWaalsContact O-N 3.16Å; A230-A338 HydrophobicContact CB-CB 3.95Å; L336-A338 PolarHBondContact O-N 3.11Å; A338-D340 VanDerWaalsContact C-N 3.29Å; A338-D340 PolarHBondContact O-N 3.1Å; A338-S341 PolarHBondContact O-N 3.15Å; A338-L342 HydrophobicContact CB-CD1 4.42Å; A338-L342 WeakPolarHBondContact O-CB 3.43Å; A338-L342 WeakPolarHBondContact O-CD1 3.37Å; A338-L342 WeakPolarHBondContact O-CG 3.38Å; A338-L342 PolarHBondContact O-N 3.01Å |
| 339 | G | 91.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 5% | 0.052 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.5 | -38.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P337 L343 | P337-G339 VanDerWaalsContact C-N 3.31Å; P337-G339 PolarHBondContact O-N 3.25Å; G339-L343 VanDerWaalsContact O-CB 3.27Å; G339-L343 WeakPolarHBondContact O-CB 3.19Å; G339-L343 WeakPolarHBondContact O-CD1 3.48Å; G339-L343 WeakPolarHBondContact O-CG 3.47Å; G339-L343 PolarHBondContact O-N 3.13Å |
| 340 | D | 91.8 | Very high | 94 | Very high | 34 Ų | 34 | 17.3 Ų | 17.3 | 18% | 0.182 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.3 | -50.3 | -179.6 | -70.9 | -26.7 | 0 | 0 | 0 | 111.4 | K42 P337 A338 L342 L343 Q344 | K42-D340 VanDerWaalsContact CD-OD1 3.3Å; K42-D340 WeakPolarHBondContact CD-OD1 3.48Å; K42-D340 WeakPolarHBondContact CE-OD1 3.11Å; K42-D340 IonicContact NZ-OD1 2.87Å; K42-D340 PolarHBondContact NZ-OD1 3.45Å; K42-D340 IonicContact NZ-OD2 2.71Å; K42-D340 PolarHBondContact NZ-OD2 2.88Å; P337-D340 HydrophobicContact CB-CB 4.4Å; P337-D340 PolarHBondContact O-N 3.46Å; A338-D340 VanDerWaalsContact C-N 3.29Å; A338-D340 PolarHBondContact O-N 3.1Å; D340-L342 VanDerWaalsContact C-N 3.32Å; D340-L342 PolarHBondContact O-N 3.35Å; D340-L343 PolarHBondContact O-N 3.04Å; D340-Q344 WeakPolarHBondContact O-CB 3.47Å; D340-Q344 VanDerWaalsContact O-CG 3.25Å; D340-Q344 WeakPolarHBondContact O-CG 3.11Å; D340-Q344 PolarHBondContact O-N 3.48Å |
| 341 | S | 94 | Very high | 94.2 | Very high | 5 Ų | 5 | 16.2 Ų | 16.2 | 4% | 0.035 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 178.5 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | A230 P337 A338 M345 | A230-S341 WeakPolarHBondContact O-CB 3.45Å; A230-S341 PolarHBondContact O-OG 3.07Å; P337-S341 PolarHBondContact O-N 2.85Å; A338-S341 PolarHBondContact O-N 3.15Å; S341-M345 VanDerWaalsContact O-CG 3.26Å; S341-M345 WeakPolarHBondContact O-CG 3.22Å; S341-M345 PolarHBondContact O-N 3.05Å; S341-M345 VanDerWaalsContact O-N 3.09Å |
| 342 | L | 95.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -69.2 | -46.1 | 179.3 | -66.4 | 166 | 0 | 0 | 0 | 112.2 | L35 L39 L135 F165 A338 D340 Q344 M345 I346 | L35-L342 HydrophobicContact CD1-CD1 3.61Å; L35-L342 HydrophobicContact CD1-CD2 4.27Å; L35-L342 HydrophobicContact CD2-CD1 4.49Å; L35-L342 HydrophobicContact CD2-CD2 4.19Å; L35-L342 HydrophobicContact CG-CD1 3.82Å; L35-L342 HydrophobicContact CG-CD2 4.39Å; L39-L342 HydrophobicContact CD2-CB 3.52Å; L39-L342 HydrophobicContact CD2-CD1 4.12Å; L39-L342 HydrophobicContact CD2-CG 4.49Å; L39-L342 HydrophobicContact CG-CB 4.39Å; L39-L342 HydrophobicContact CG-CD1 4.17Å; L135-L342 HydrophobicContact CD2-CD2 4.27Å; F165-L342 HydrophobicContact CD2-CD2 3.48Å; F165-L342 VanDerWaalsContact CD2-CD2 3.48Å; F165-L342 HydrophobicContact CE2-CD2 3.7Å; F165-L342 HydrophobicContact CG-CD2 3.94Å; F165-L342 HydrophobicContact CZ-CD2 4.32Å; A338-L342 HydrophobicContact CB-CD1 4.42Å; A338-L342 WeakPolarHBondContact O-CB 3.43Å; A338-L342 WeakPolarHBondContact O-CD1 3.37Å; A338-L342 WeakPolarHBondContact O-CG 3.38Å; A338-L342 PolarHBondContact O-N 3.01Å; D340-L342 VanDerWaalsContact C-N 3.32Å; D340-L342 PolarHBondContact O-N 3.35Å; L342-Q344 VanDerWaalsContact C-N 3.33Å; L342-Q344 PolarHBondContact O-N 3.16Å; L342-M345 PolarHBondContact O-N 2.68Å; L342-I346 WeakPolarHBondContact O-CB 3.48Å; L342-I346 WeakPolarHBondContact O-CD1 3.04Å; L342-I346 VanDerWaalsContact O-CG1 3.23Å; L342-I346 WeakPolarHBondContact O-CG1 2.83Å; L342-I346 PolarHBondContact O-N 3.45Å |
| 343 | L | 94.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.016 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65 | -37.6 | 179.4 | -72.7 | 168.7 | 0 | 0 | 0 | 111.7 | L39 K42 Y79 I109 G339 D340 I346 C347 | L39-L343 HydrophobicContact CD2-CD2 3.79Å; L39-L343 HydrophobicContact CD2-CG 3.68Å; K42-L343 HydrophobicContact CB-CD1 4.07Å; K42-L343 HydrophobicContact CG-CD1 3.75Å; Y79-L343 HydrophobicContact CD1-CB 3.77Å; Y79-L343 HydrophobicContact CD1-CD1 4.43Å; Y79-L343 HydrophobicContact CD2-CB 4.2Å; Y79-L343 HydrophobicContact CD2-CD1 3.47Å; Y79-L343 VanDerWaalsContact CD2-CD1 3.47Å; Y79-L343 HydrophobicContact CD2-CG 4.4Å; Y79-L343 HydrophobicContact CE1-CB 3.78Å; Y79-L343 HydrophobicContact CE2-CB 4.22Å; Y79-L343 HydrophobicContact CE2-CD1 3.92Å; Y79-L343 HydrophobicContact CG-CB 3.98Å; Y79-L343 HydrophobicContact CG-CD1 3.76Å; Y79-L343 HydrophobicContact CG-CG 4.31Å; I109-L343 HydrophobicContact CD1-CD2 4.09Å; I109-L343 HydrophobicContact CG1-CD2 4.25Å; G339-L343 VanDerWaalsContact O-CB 3.27Å; G339-L343 WeakPolarHBondContact O-CB 3.19Å; G339-L343 WeakPolarHBondContact O-CD1 3.48Å; G339-L343 WeakPolarHBondContact O-CG 3.47Å; G339-L343 PolarHBondContact O-N 3.13Å; D340-L343 PolarHBondContact O-N 3.04Å; L343-I346 PolarHBondContact O-N 2.95Å; L343-C347 WeakPolarHBondContact O-CB 3.38Å; L343-C347 PolarHBondContact O-N 2.91Å; L343-C347 PolarHBondContact O-SG 2.94Å |
| 344 | Q | 94.5 | Very high | 94.9 | Very high | 32 Ų | 32 | 14.7 Ų | 14.7 | 15% | 0.15 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.3 | -49.9 | 172 | -76.5 | 172.6 | -12.5 | 0 | 0 | 111.3 | D85 D340 L342 I346 C347 I348 | D85-Q344 PolarHBondContact OD2-NE2 3Å; D340-Q344 WeakPolarHBondContact O-CB 3.47Å; D340-Q344 VanDerWaalsContact O-CG 3.25Å; D340-Q344 WeakPolarHBondContact O-CG 3.11Å; D340-Q344 PolarHBondContact O-N 3.48Å; L342-Q344 VanDerWaalsContact C-N 3.33Å; L342-Q344 PolarHBondContact O-N 3.16Å; Q344-I346 VanDerWaalsContact C-N 3.32Å; Q344-I346 PolarHBondContact O-N 2.92Å; Q344-C347 PolarHBondContact O-N 2.96Å; Q344-I348 HydrophobicContact CB-CD1 4.36Å; Q344-I348 VanDerWaalsContact O-CB 3.28Å; Q344-I348 WeakPolarHBondContact O-CB 3.49Å; Q344-I348 WeakPolarHBondContact O-CD1 3.46Å; Q344-I348 WeakPolarHBondContact O-CG1 3.47Å; Q344-I348 PolarHBondContact O-N 2.92Å |
| 345 | M | 95.5 | Very high | 95 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.02 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 176.8 | -74.1 | 174.9 | 66.7 | 0 | 0 | 112.1 | V163 L164 G221 T232 S341 L342 H349 | V163-M345 HydrophobicContact CB-CE 4.49Å; L164-M345 WeakPolarHBondContact O-CE 3.36Å; G221-M345 VanDerWaalsContact CA-SD 3.55Å; T232-M345 HydrophobicContact CG2-CG 3.52Å; T232-M345 HydrophobicContact CG2-SD 3.6Å; T232-M345 VanDerWaalsContact CG2-SD 3.6Å; S341-M345 VanDerWaalsContact O-CG 3.26Å; S341-M345 WeakPolarHBondContact O-CG 3.22Å; S341-M345 PolarHBondContact O-N 3.05Å; S341-M345 VanDerWaalsContact O-N 3.09Å; L342-M345 PolarHBondContact O-N 2.68Å; M345-H349 WeakPolarHBondContact O-CB 3.29Å; M345-H349 PolarHBondContact O-N 3.27Å |
| 346 | I | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.5 | -52.7 | 179.6 | -72.7 | 161.9 | 0 | 0 | 0 | 110.6 | R20 M22 L39 I109 L342 L343 Q344 L350 | R20-I346 HydrophobicContact CB-CG2 4.09Å; R20-I346 HydrophobicContact CG-CG2 4.3Å; M22-I346 HydrophobicContact CG-CG2 4.42Å; M22-I346 HydrophobicContact SD-CD1 3.67Å; M22-I346 HydrophobicContact SD-CG1 4.04Å; M22-I346 HydrophobicContact SD-CG2 4.42Å; L39-I346 HydrophobicContact CD1-CD1 4.07Å; L39-I346 HydrophobicContact CD2-CD1 4.11Å; I109-I346 HydrophobicContact CG1-CG2 4.3Å; I109-I346 HydrophobicContact CG2-CG2 4.05Å; L342-I346 WeakPolarHBondContact O-CB 3.48Å; L342-I346 WeakPolarHBondContact O-CD1 3.04Å; L342-I346 VanDerWaalsContact O-CG1 3.23Å; L342-I346 WeakPolarHBondContact O-CG1 2.83Å; L342-I346 PolarHBondContact O-N 3.45Å; L343-I346 PolarHBondContact O-N 2.95Å; Q344-I346 VanDerWaalsContact C-N 3.32Å; Q344-I346 PolarHBondContact O-N 2.92Å; I346-L350 HydrophobicContact CB-CD1 4.48Å; I346-L350 HydrophobicContact CG1-CD1 4.36Å; I346-L350 HydrophobicContact CG2-CD1 4.17Å; I346-L350 VanDerWaalsContact O-CB 3.25Å; I346-L350 WeakPolarHBondContact O-CB 3.28Å; I346-L350 PolarHBondContact O-N 2.8Å; I346-L350 VanDerWaalsContact O-N 3.13Å |
| 347 | C | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -70.3 | -36.7 | -173.6 | -62 | 0 | 0 | 0 | 0 | 112.5 | R20 M81 F107 L343 Q344 | R20-C347 VanDerWaalsContact CZ-O 3.31Å; R20-C347 PolarHBondContact NE-O 3.33Å; R20-C347 PolarHBondContact NH2-O 3.2Å; M81-C347 HydrophobicContact CE-CB 4.04Å; M81-C347 HydrophobicContact SD-CB 3.35Å; M81-C347 WeakPolarHBondContact SD-CB 3.41Å; F107-C347 HydrophobicContact CD1-CB 3.99Å; F107-C347 HydrophobicContact CE1-CB 4.26Å; F107-C347 HydrophobicContact CG-CB 4.24Å; L343-C347 WeakPolarHBondContact O-CB 3.38Å; L343-C347 PolarHBondContact O-N 2.91Å; L343-C347 PolarHBondContact O-SG 2.94Å; Q344-C347 PolarHBondContact O-N 2.96Å |
| 348 | I | 95.5 | Very high | 95.2 | Very high | 17 Ų | 17 | 14.4 Ų | 14.4 | 9% | 0.087 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -73.5 | -50.5 | -179.3 | -63.8 | 169.4 | 0 | 0 | 0 | 111 | M81 V89 I92 Q93 Q344 | M81-I348 HydrophobicContact CE-CD1 4.34Å; M81-I348 HydrophobicContact CE-CG1 3.8Å; V89-I348 HydrophobicContact CG2-CG1 3.94Å; I92-I348 HydrophobicContact CD1-CG2 3.66Å; Q93-I348 PolarHBondContact NE2-O 2.82Å; Q344-I348 HydrophobicContact CB-CD1 4.36Å; Q344-I348 VanDerWaalsContact O-CB 3.28Å; Q344-I348 WeakPolarHBondContact O-CB 3.49Å; Q344-I348 WeakPolarHBondContact O-CD1 3.46Å; Q344-I348 WeakPolarHBondContact O-CG1 3.47Å; Q344-I348 PolarHBondContact O-N 2.92Å |
| 349 | H | 95.8 | Very high | 95.2 | Very high | 16 Ų | 16 | 15.4 Ų | 15.4 | 7% | 0.074 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -99.4 | -28.1 | -164.7 | -62.1 | -59.7 | 0 | 0 | 0 | 115.3 | K161 V163 K217 G218 T219 M345 | K161-H349 WeakPolarHBondContact CD-O 3.19Å; K161-H349 WeakPolarHBondContact CE-O 3.12Å; K161-H349 PolarHBondContact NZ-O 2.77Å; V163-H349 HydrophobicContact CG1-CB 3.75Å; K217-H349 PolarHBondContact O-CE1 3.02Å; K217-H349 PolarHBondContact O-NE2 3.26Å; G218-H349 PolarHBondContact O-CD2 2.93Å; G218-H349 VanDerWaalsContact O-CD2 3.28Å; G218-H349 PolarHBondContact O-NE2 3.36Å; T219-H349 HydrophobicContact CG2-CB 4.3Å; M345-H349 WeakPolarHBondContact O-CB 3.29Å; M345-H349 PolarHBondContact O-N 3.27Å |
| 350 | L | 97.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -78 | 143.9 | 176.2 | -59.7 | -173 | 0 | 0 | 0 | 110.6 | R20 M22 Q93 K161 V163 I346 | R20-L350 VanDerWaalsContact CD-O 3.32Å; R20-L350 WeakPolarHBondContact CD-O 3.11Å; R20-L350 PolarHBondContact NE-O 3.38Å; M22-L350 HydrophobicContact CB-CD1 3.68Å; M22-L350 HydrophobicContact CG-CD1 4.43Å; Q93-L350 PolarHBondContact NE2-O 3.42Å; K161-L350 VanDerWaalsContact O-CD2 3.32Å; K161-L350 WeakPolarHBondContact O-CD2 3.27Å; V163-L350 HydrophobicContact CB-CD2 4.42Å; V163-L350 HydrophobicContact CG1-CD2 3.76Å; V163-L350 HydrophobicContact CG1-CG 4.41Å; V163-L350 HydrophobicContact CG2-CD2 4Å; V163-L350 HydrophobicContact CG2-CG 4.36Å; I346-L350 HydrophobicContact CB-CD1 4.48Å; I346-L350 HydrophobicContact CG1-CD1 4.36Å; I346-L350 HydrophobicContact CG2-CD1 4.17Å; I346-L350 VanDerWaalsContact O-CB 3.25Å; I346-L350 WeakPolarHBondContact O-CB 3.28Å; I346-L350 PolarHBondContact O-N 2.8Å; I346-L350 VanDerWaalsContact O-N 3.13Å |
| 351 | P | 96.8 | Very high | 95.6 | Very high | 6 Ų | 6 | 13.8 Ų | 13.8 | 4% | 0.039 | 7% | 0.07 | C | C | . | . | P | Polyproline II helix | trans | -77 | 149.6 | -173.8 | 29.7 | -30.8 | 0 | 0 | 0 | 111.5 | D132 K161 T355 | D132-P351 HydrophobicContact CB-CG 4.15Å; D132-P351 WeakPolarHBondContact O-CG 3.24Å; K161-P351 HydrophobicContact CB-CG 4.15Å; K161-P351 HydrophobicContact CD-CG 4.49Å; P351-T355 HydrophobicContact CB-CG2 4.14Å |
| 352 | S | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 156.8 | 163.7 | 76.6 | 0 | 0 | 0 | 0 | 111.6 | R17 V354 T355 S356 | R17-S352 WeakPolarHBondContact O-CB 3.45Å; S352-V354 PolarHBondContact O-N 2.88Å; S352-V354 PolarHBondContact OG-N 3.14Å; S352-T355 WeakPolarHBondContact O-CB 3.46Å; S352-T355 PolarHBondContact O-N 3.25Å; S352-T355 PolarHBondContact OG-N 3.22Å; S352-T355 PolarHBondContact OG-OG1 2.87Å; S352-S356 PolarHBondContact O-N 3.18Å; S352-S356 PolarHBondContact O-OG 2.98Å |
| 353 | P | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.3 | -31.1 | 172.6 | 22.6 | -35.3 | 0 | 0 | 0 | 113.1 | K16 I19 T355 S356 Q357 G459 | K16-P353 VanDerWaalsContact O-CD 3.26Å; K16-P353 WeakPolarHBondContact O-CD 2.97Å; K16-P353 VanDerWaalsContact O-CG 3.24Å; K16-P353 WeakPolarHBondContact O-CG 3.33Å; I19-P353 HydrophobicContact CB-CG 3.97Å; I19-P353 HydrophobicContact CD1-CG 4.42Å; I19-P353 HydrophobicContact CG2-CG 4.3Å; I19-P353 WeakPolarHBondContact O-CD 3.36Å; P353-T355 VanDerWaalsContact C-N 3.32Å; P353-T355 PolarHBondContact O-N 3.4Å; P353-S356 WeakPolarHBondContact CA-OG 3.46Å; P353-S356 PolarHBondContact O-OG 2.96Å; P353-Q357 WeakPolarHBondContact O-CB 3.42Å; P353-Q357 WeakPolarHBondContact O-CG 3.4Å; P353-Q357 PolarHBondContact O-N 3.35Å; P353-G459 VanDerWaalsContact CB-CA 3.44Å |
| 354 | V | 96.6 | Very high | 95.2 | Very high | 26 Ų | 26 | 21 Ų | 21 | 16% | 0.158 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 175.2 | -176 | 0 | 0 | 0 | 0 | 110.9 | K16 R17 S352 Q358 C380 | K16-V354 HydrophobicContact CB-CG2 3.55Å; R17-V354 HydrophobicContact CG-CG2 4.15Å; S352-V354 PolarHBondContact O-N 2.88Å; S352-V354 PolarHBondContact OG-N 3.14Å; V354-Q358 WeakPolarHBondContact O-CG 3.25Å; V354-C380 HydrophobicContact CB-CB 4.47Å; V354-C380 HydrophobicContact CG2-CB 4.14Å |
| 355 | T | 95.6 | Very high | 95.2 | Very high | 39 Ų | 39 | 19.8 Ų | 19.8 | 24% | 0.239 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -74.1 | -45.7 | 178.4 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | P351 S352 P353 Y359 | P351-T355 HydrophobicContact CB-CG2 4.14Å; S352-T355 WeakPolarHBondContact O-CB 3.46Å; S352-T355 PolarHBondContact O-N 3.25Å; S352-T355 PolarHBondContact OG-N 3.22Å; S352-T355 PolarHBondContact OG-OG1 2.87Å; P353-T355 VanDerWaalsContact C-N 3.32Å; P353-T355 PolarHBondContact O-N 3.4Å; T355-Y359 WeakPolarHBondContact O-CD1 3.38Å |
| 356 | S | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.9 | -38.5 | -174.6 | 65.3 | 0 | 0 | 0 | 0 | 113.2 | D132 S352 P353 Q358 Y359 R360 | D132-S356 VanDerWaalsContact OD1-CB 3.3Å; D132-S356 WeakPolarHBondContact OD1-CB 3.27Å; D132-S356 PolarHBondContact OD1-OG 3.1Å; S352-S356 PolarHBondContact O-N 3.18Å; S352-S356 PolarHBondContact O-OG 2.98Å; P353-S356 WeakPolarHBondContact CA-OG 3.46Å; P353-S356 PolarHBondContact O-OG 2.96Å; S356-Q358 PolarHBondContact O-N 2.88Å; S356-Y359 VanDerWaalsContact CA-CE1 3.45Å; S356-Y359 VanDerWaalsContact CA-CZ 3.46Å; S356-Y359 WeakPolarHBondContact CB-OH 3.49Å; S356-Y359 WeakPolarHBondContact O-CD2 3.28Å; S356-Y359 PolarHBondContact O-N 3.18Å; S356-R360 WeakPolarHBondContact O-CB 3.45Å; S356-R360 VanDerWaalsContact O-CG 3.27Å; S356-R360 WeakPolarHBondContact O-CG 3.47Å; S356-R360 PolarHBondContact O-N 2.87Å |
| 357 | Q | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.9 | -29.3 | -177.7 | -74.2 | 174.7 | -160.6 | 0 | 0 | 112.6 | P353 Y359 R360 V361 M377 C380 F409 | P353-Q357 WeakPolarHBondContact O-CB 3.42Å; P353-Q357 WeakPolarHBondContact O-CG 3.4Å; P353-Q357 PolarHBondContact O-N 3.35Å; Q357-Y359 PolarHBondContact O-N 3.06Å; Q357-R360 PolarHBondContact O-N 3.43Å; Q357-V361 HydrophobicContact CB-CG2 4.47Å; Q357-V361 WeakPolarHBondContact O-CG2 3.41Å; Q357-V361 PolarHBondContact O-N 2.85Å; Q357-V361 VanDerWaalsContact O-N 3.16Å; Q357-M377 WeakPolarHBondContact CB-O 3.5Å; Q357-M377 PolarHBondContact NE2-O 3.39Å; Q357-C380 VanDerWaalsContact NE2-CA 3.25Å; Q357-C380 PolarHBondContact NE2-SG 3.3Å; Q357-F409 HydrophobicContact CG-CD1 4.24Å; Q357-F409 PolarHBondContact NE2-O 3.29Å |
| 358 | Q | 94.7 | Very high | 94.7 | Very high | 111 Ų | 111 | 28.2 Ų | 28.2 | 52% | 0.519 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -56 | -38.3 | 177.1 | -71.3 | 178.4 | 4.9 | 0 | 0 | 113 | V354 S356 | V354-Q358 WeakPolarHBondContact O-CG 3.25Å; S356-Q358 PolarHBondContact O-N 2.88Å |
| 359 | Y | 93.3 | Very high | 94.7 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 9% | 0.09 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -101.5 | -17.8 | 178 | 60.9 | -106.3 | 0 | 0 | 0 | 113.9 | R159 P207 M208 T355 S356 Q357 | R159-Y359 HydrophobicContact CB-CD2 4.15Å; R159-Y359 HydrophobicContact CB-CE2 4.1Å; R159-Y359 PolarHBondContact NH1-O 3.21Å; R159-Y359 WeakPolarHBondContact O-CE2 3.37Å; P207-Y359 WeakPolarHBondContact O-CB 3.41Å; P207-Y359 WeakPolarHBondContact O-CD1 3.37Å; M208-Y359 HydrophobicContact CG-CD2 3.75Å; M208-Y359 HydrophobicContact CG-CE2 3.57Å; M208-Y359 HydrophobicContact CG-CG 4.37Å; M208-Y359 HydrophobicContact SD-CE2 4.24Å; T355-Y359 WeakPolarHBondContact O-CD1 3.38Å; S356-Y359 VanDerWaalsContact CA-CE1 3.45Å; S356-Y359 VanDerWaalsContact CA-CZ 3.46Å; S356-Y359 WeakPolarHBondContact CB-OH 3.49Å; S356-Y359 WeakPolarHBondContact O-CD2 3.28Å; S356-Y359 PolarHBondContact O-N 3.18Å; Q357-Y359 PolarHBondContact O-N 3.06Å |
| 360 | R | 94.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -86.2 | -26.5 | -178.1 | -67.5 | -174.1 | 72 | -144.5 | 0.9 | 114 | R129 T131 D132 E158 R159 S356 Q357 E362 M363 L364 | R129-R360 PolarHBondContact O-NH2 2.84Å; T131-R360 PolarHBondContact O-NH1 3.04Å; D132-R360 IonicContact OD1-NH1 2.8Å; E158-R360 PolarHBondContact O-NE 3.26Å; E158-R360 VanDerWaalsContact O-NE 3.13Å; E158-R360 PolarHBondContact O-NH2 2.66Å; R159-R360 HydrophobicContact CB-CG 4.03Å; R159-R360 WeakPolarHBondContact O-CD 3.38Å; S356-R360 WeakPolarHBondContact O-CB 3.45Å; S356-R360 VanDerWaalsContact O-CG 3.27Å; S356-R360 WeakPolarHBondContact O-CG 3.47Å; S356-R360 PolarHBondContact O-N 2.87Å; Q357-R360 PolarHBondContact O-N 3.43Å; R360-E362 VanDerWaalsContact C-N 3.31Å; R360-E362 PolarHBondContact O-N 3.2Å; R360-M363 PolarHBondContact O-N 3.42Å; R360-L364 HydrophobicContact CB-CD1 3.83Å; R360-L364 HydrophobicContact CB-CG 4.38Å; R360-L364 WeakPolarHBondContact O-CG 3.3Å; R360-L364 PolarHBondContact O-N 3.19Å |
| 361 | V | 95.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.2 | -42.5 | -174.3 | 165.8 | 0 | 0 | 0 | 0 | 113.2 | Q357 M363 L364 Y365 M369 A374 M377 K378 | Q357-V361 HydrophobicContact CB-CG2 4.47Å; Q357-V361 WeakPolarHBondContact O-CG2 3.41Å; Q357-V361 PolarHBondContact O-N 2.85Å; Q357-V361 VanDerWaalsContact O-N 3.16Å; V361-M363 PolarHBondContact O-N 2.91Å; V361-L364 PolarHBondContact O-N 3.06Å; V361-L364 VanDerWaalsContact O-N 3.12Å; V361-Y365 PolarHBondContact O-N 2.9Å; V361-M369 HydrophobicContact CG1-SD 4.13Å; V361-A374 HydrophobicContact CG1-CB 4.44Å; V361-M377 HydrophobicContact CG1-CB 4.32Å; V361-M377 HydrophobicContact CG2-CB 3.53Å; V361-M377 HydrophobicContact CG2-CE 4.21Å; V361-K378 HydrophobicContact CG2-CB 4.38Å |
| 362 | E | 91.6 | Very high | 94.4 | Very high | 126 Ų | 126 | 43.6 Ų | 43.6 | 59% | 0.589 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -57 | -33.9 | 176.6 | -177.2 | -164.2 | -154.6 | 0 | 0 | 113 | R159 R360 M369 | R159-E362 IonicContact CZ-OE2 3.37Å; R159-E362 IonicContact NH1-OE2 3.32Å; R159-E362 PolarHBondContact NH1-OE2 3.48Å; R159-E362 IonicContact NH2-OE2 3.85Å; R159-E362 PolarHBondContact NH2-OE2 2.88Å; R159-E362 VanDerWaalsContact NH2-OE2 3.1Å; R360-E362 VanDerWaalsContact C-N 3.31Å; R360-E362 PolarHBondContact O-N 3.2Å; E362-M369 HydrophobicContact CB-SD 4.4Å |
| 363 | M | 89.6 | Confident | 94.4 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 15% | 0.148 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -82.7 | -33.5 | 178.9 | -178.1 | -85.2 | -73.6 | 0 | 0 | 112.1 | E158 R360 V361 | E158-M363 VanDerWaalsContact O-CE 3.22Å; E158-M363 WeakPolarHBondContact O-CE 3.45Å; R360-M363 PolarHBondContact O-N 3.42Å; V361-M363 PolarHBondContact O-N 2.91Å |
| 364 | L | 93.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -88.9 | -35.4 | -170.3 | -67.9 | 174.8 | 0 | 0 | 0 | 113.7 | R129 R360 V361 F409 L486 K487 | R129-L364 VanDerWaalsContact CD-CD2 3.4Å; R360-L364 HydrophobicContact CB-CD1 3.83Å; R360-L364 HydrophobicContact CB-CG 4.38Å; R360-L364 WeakPolarHBondContact O-CG 3.3Å; R360-L364 PolarHBondContact O-N 3.19Å; V361-L364 PolarHBondContact O-N 3.06Å; V361-L364 VanDerWaalsContact O-N 3.12Å; L364-F409 HydrophobicContact CD1-CD1 4.34Å; L364-F409 HydrophobicContact CD1-CE1 3.61Å; L364-F409 HydrophobicContact CD1-CZ 3.85Å; L364-L486 HydrophobicContact CB-CD2 4.28Å; L364-L486 CarbonylContact O-C 3.55Å; L364-L486 WeakPolarHBondContact O-CA 3.43Å; L364-L486 WeakPolarHBondContact O-CD2 3.44Å; L364-K487 PolarHBondContact O-N 2.69Å |
| 365 | Y | 95.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -101.7 | 129.5 | -172.6 | -175.9 | -121.8 | 0 | 0 | 0 | 111.5 | V361 M369 D371 A373 A374 M377 M387 H484 L486 | V361-Y365 PolarHBondContact O-N 2.9Å; Y365-M369 HydrophobicContact CD1-CE 3.75Å; Y365-M369 HydrophobicContact CG-CE 4.46Å; Y365-D371 WeakPolarHBondContact CE1-OD1 3.49Å; Y365-D371 WeakPolarHBondContact CE1-OD2 3.49Å; Y365-D371 PolarHBondContact OH-OD2 3.16Å; Y365-A373 HydrophobicContact CE1-CB 4.48Å; Y365-A373 HydrophobicContact CE2-CB 4.43Å; Y365-A374 HydrophobicContact CD1-CB 3.77Å; Y365-A374 HydrophobicContact CE1-CB 3.86Å; Y365-M377 HydrophobicContact CD2-SD 4.38Å; Y365-M377 HydrophobicContact CG-SD 4.42Å; Y365-M387 HydrophobicContact CD2-CE 3.98Å; Y365-M387 HydrophobicContact CE2-CE 3.65Å; Y365-H484 HydrophobicContact CE2-CB 3.82Å; Y365-H484 WeakPolarHBondContact CE2-O 3.4Å; Y365-H484 PolarHBondContact OH-N 3.32Å; Y365-L486 HydrophobicContact CD2-CD2 4.08Å |
| 366 | E | 92.6 | Very high | 94.5 | Very high | 107 Ų | 107 | 44.6 Ų | 44.6 | 50% | 0.5 | 22% | 0.22 | S | C | . | . | trans | -85.8 | -9.5 | -177.9 | -62.2 | -179.8 | 162 | 0 | 0 | 113.4 | H484 N485 K487 | E366-H484 HydrophobicContact CB-CB 4.4Å; E366-N485 WeakPolarHBondContact CB-O 3.28Å; E366-N485 WeakPolarHBondContact CG-O 3.39Å; E366-N485 PolarHBondContact N-O 2.93Å; E366-N485 VanDerWaalsContact N-O 3.07Å; E366-K487 HydrophobicContact CG-CB 4.18Å; E366-K487 WeakPolarHBondContact OE1-CA 3.22Å | ||
| 367 | G | 91.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 9% | 0.093 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -85.4 | 177.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M369 | G367-M369 WeakPolarHBondContact O-CE 3.41Š|
| 368 | P | 93.5 | Very high | 94.6 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 42% | 0.416 | 24% | 0.243 | S | C | . | . | trans | -59.1 | 138.1 | 175 | -21 | 32.8 | 0 | 0 | 0 | 111.7 | E370 D371 A374 | P368-E370 PolarHBondContact O-N 3.14Å; P368-D371 VanDerWaalsContact O-CG 3.29Å; P368-D371 PolarHBondContact O-N 2.95Å; P368-A374 WeakPolarHBondContact O-CB 3.37Å | ||
| 369 | M | 94.4 | Very high | 94.7 | Very high | 72 Ų | 72 | 49.1 Ų | 49.1 | 36% | 0.355 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -12.2 | -178.8 | -67.7 | -63.4 | 108.2 | 0 | 0 | 113.1 | V361 E362 Y365 G367 A374 | V361-M369 HydrophobicContact CG1-SD 4.13Å; E362-M369 HydrophobicContact CB-SD 4.4Å; Y365-M369 HydrophobicContact CD1-CE 3.75Å; Y365-M369 HydrophobicContact CG-CE 4.46Å; G367-M369 WeakPolarHBondContact O-CE 3.41Å; M369-A374 HydrophobicContact CE-CB 4.45Å; M369-A374 HydrophobicContact SD-CB 4.48Å |
| 370 | E | 93.8 | Very high | 94.9 | Very high | 151 Ų | 151 | 48 Ų | 48 | 71% | 0.706 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -6.5 | 178.9 | -54.6 | 75.5 | -165.4 | 0 | 0 | 112.9 | P368 I375 | P368-E370 PolarHBondContact O-N 3.14Å; E370-I375 WeakPolarHBondContact O-CD1 3.35Å |
| 371 | D | 94.6 | Very high | 95.1 | Very high | 24 Ų | 24 | 50.7 Ų | 50.7 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -77.9 | 165.1 | -179.8 | 84 | 15.7 | 0 | 0 | 0 | 112.9 | Y365 P368 A373 A374 I375 F480 | Y365-D371 WeakPolarHBondContact CE1-OD1 3.49Å; Y365-D371 WeakPolarHBondContact CE1-OD2 3.49Å; Y365-D371 PolarHBondContact OH-OD2 3.16Å; P368-D371 VanDerWaalsContact O-CG 3.29Å; P368-D371 PolarHBondContact O-N 2.95Å; D371-A373 VanDerWaalsContact C-N 3.27Å; D371-A373 PolarHBondContact O-N 3.07Å; D371-A373 WeakPolarHBondContact OD1-CB 3.38Å; D371-A373 PolarHBondContact OD1-N 2.89Å; D371-A374 PolarHBondContact O-N 3.12Å; D371-A374 WeakPolarHBondContact OD1-CB 3.27Å; D371-A374 PolarHBondContact OD1-N 3.22Å; D371-I375 VanDerWaalsContact O-CG1 3.3Å; D371-I375 WeakPolarHBondContact O-CG1 3.4Å; D371-I375 PolarHBondContact O-N 3.04Å; D371-F480 HydrophobicContact CB-CE1 4.39Å |
| 372 | E | 95.8 | Very high | 95.1 | Very high | 116 Ų | 116 | 53.7 Ų | 53.7 | 54% | 0.542 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.7 | -35.8 | -176.1 | -164.8 | -174.6 | 163.5 | 0 | 0 | 112.4 | A376 P385 F480 | E372-A376 WeakPolarHBondContact O-CB 3.39Å; E372-A376 PolarHBondContact O-N 2.99Å; E372-P385 HydrophobicContact CB-CG 4.43Å; E372-P385 HydrophobicContact CG-CG 3.93Å; E372-F480 HydrophobicContact CB-CE2 4.22Å; E372-F480 HydrophobicContact CB-CZ 4.3Å |
| 373 | A | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.1 | -47.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y365 D371 I375 A376 M377 M387 F480 | Y365-A373 HydrophobicContact CE1-CB 4.48Å; Y365-A373 HydrophobicContact CE2-CB 4.43Å; D371-A373 VanDerWaalsContact C-N 3.27Å; D371-A373 PolarHBondContact O-N 3.07Å; D371-A373 WeakPolarHBondContact OD1-CB 3.38Å; D371-A373 PolarHBondContact OD1-N 2.89Å; A373-I375 PolarHBondContact O-N 2.76Å; A373-A376 PolarHBondContact O-N 2.69Å; A373-M377 WeakPolarHBondContact O-CB 3.19Å; A373-M377 WeakPolarHBondContact O-CG 3.49Å; A373-M377 PolarHBondContact O-N 3.28Å; A373-M387 HydrophobicContact CB-CE 4.25Å; A373-M387 HydrophobicContact CB-CG 3.87Å; A373-M387 HydrophobicContact CB-SD 3.75Å; A373-F480 HydrophobicContact CB-CD1 3.67Å; A373-F480 HydrophobicContact CB-CE1 4.21Å; A373-F480 HydrophobicContact CB-CG 4.49Å |
| 374 | A | 96.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V361 Y365 P368 M369 D371 M377 K378 | V361-A374 HydrophobicContact CG1-CB 4.44Å; Y365-A374 HydrophobicContact CD1-CB 3.77Å; Y365-A374 HydrophobicContact CE1-CB 3.86Å; P368-A374 WeakPolarHBondContact O-CB 3.37Å; M369-A374 HydrophobicContact CE-CB 4.45Å; M369-A374 HydrophobicContact SD-CB 4.48Å; D371-A374 PolarHBondContact O-N 3.12Å; D371-A374 WeakPolarHBondContact OD1-CB 3.27Å; D371-A374 PolarHBondContact OD1-N 3.22Å; A374-M377 PolarHBondContact O-N 3.06Å; A374-K378 WeakPolarHBondContact O-CB 3.37Å; A374-K378 PolarHBondContact O-N 3.3Å |
| 375 | I | 97.5 | Very high | 95.8 | Very high | 80 Ų | 80 | 53.8 Ų | 53.8 | 41% | 0.41 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 178.1 | -66.4 | 169.4 | 0 | 0 | 0 | 110.6 | E370 D371 A373 K378 N379 | E370-I375 WeakPolarHBondContact O-CD1 3.35Å; D371-I375 VanDerWaalsContact O-CG1 3.3Å; D371-I375 WeakPolarHBondContact O-CG1 3.4Å; D371-I375 PolarHBondContact O-N 3.04Å; A373-I375 PolarHBondContact O-N 2.76Å; I375-K378 PolarHBondContact O-N 3.29Å; I375-N379 WeakPolarHBondContact O-CB 3.4Å; I375-N379 PolarHBondContact O-N 3.25Å; I375-N379 PolarHBondContact O-ND2 2.9Å |
| 376 | A | 97.8 | Very high | 96 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E372 A373 C380 D381 P385 S410 | E372-A376 WeakPolarHBondContact O-CB 3.39Å; E372-A376 PolarHBondContact O-N 2.99Å; A373-A376 PolarHBondContact O-N 2.69Å; A376-C380 PolarHBondContact O-N 3.06Å; A376-C380 VanDerWaalsContact O-N 3.1Å; A376-D381 HydrophobicContact CB-CB 4.35Å; A376-D381 PolarHBondContact O-N 3.42Å; A376-P385 HydrophobicContact CB-CG 4.06Å; A376-S410 VanDerWaalsContact C-CB 3.49Å |
| 377 | M | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 173.7 | -72.1 | 177.6 | 67.9 | 0 | 0 | 111.1 | Q357 V361 Y365 A373 A374 N379 C380 M387 F409 L486 | Q357-M377 WeakPolarHBondContact CB-O 3.5Å; Q357-M377 PolarHBondContact NE2-O 3.39Å; V361-M377 HydrophobicContact CG1-CB 4.32Å; V361-M377 HydrophobicContact CG2-CB 3.53Å; V361-M377 HydrophobicContact CG2-CE 4.21Å; Y365-M377 HydrophobicContact CD2-SD 4.38Å; Y365-M377 HydrophobicContact CG-SD 4.42Å; A373-M377 WeakPolarHBondContact O-CB 3.19Å; A373-M377 WeakPolarHBondContact O-CG 3.49Å; A373-M377 PolarHBondContact O-N 3.28Å; A374-M377 PolarHBondContact O-N 3.06Å; M377-N379 PolarHBondContact O-N 2.61Å; M377-C380 PolarHBondContact O-N 3.22Å; M377-C380 VanDerWaalsContact O-N 3.08Å; M377-M387 HydrophobicContact CG-CB 3.72Å; M377-M387 HydrophobicContact CG-CG 3.87Å; M377-M387 HydrophobicContact SD-CB 3.77Å; M377-M387 HydrophobicContact SD-CE 4.15Å; M377-M387 HydrophobicContact SD-CG 3.88Å; M377-F409 HydrophobicContact CB-CB 4.49Å; M377-F409 HydrophobicContact CE-CB 3.62Å; M377-F409 HydrophobicContact CE-CD1 4.31Å; M377-F409 HydrophobicContact CE-CD2 4.25Å; M377-F409 HydrophobicContact CE-CG 3.82Å; M377-F409 HydrophobicContact CG-CB 3.9Å; M377-F409 HydrophobicContact SD-CB 4.4Å; M377-L486 HydrophobicContact CE-CD2 3.36Å; M377-L486 HydrophobicContact SD-CD2 3.99Å |
| 378 | K | 97 | Very high | 96.5 | Very high | 110 Ų | 110 | 48 Ų | 48 | 48% | 0.478 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.7 | -37.6 | -177.2 | -173.9 | 178.2 | -177.9 | 174 | 0 | 111.5 | V361 A374 I375 | V361-K378 HydrophobicContact CG2-CB 4.38Å; A374-K378 WeakPolarHBondContact O-CB 3.37Å; A374-K378 PolarHBondContact O-N 3.3Å; I375-K378 PolarHBondContact O-N 3.29Å |
| 379 | N | 96.9 | Very high | 96.7 | Very high | 97 Ų | 97 | 45.1 Ų | 45.1 | 52% | 0.519 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -3.6 | 179.5 | -67.1 | -29.5 | 0 | 0 | 0 | 113.9 | I375 M377 D381 | I375-N379 WeakPolarHBondContact O-CB 3.4Å; I375-N379 PolarHBondContact O-N 3.25Å; I375-N379 PolarHBondContact O-ND2 2.9Å; M377-N379 PolarHBondContact O-N 2.61Å; N379-D381 HydrophobicContact CB-CB 4.46Å; N379-D381 PolarHBondContact O-N 3.44Å |
| 380 | C | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 47.7 | -170.7 | -160.1 | 0 | 0 | 0 | 0 | 110.3 | K16 V354 Q357 A376 M377 C458 | K16-C380 PolarHBondContact NZ-O 3.04Å; V354-C380 HydrophobicContact CB-CB 4.47Å; V354-C380 HydrophobicContact CG2-CB 4.14Å; Q357-C380 VanDerWaalsContact NE2-CA 3.25Å; Q357-C380 PolarHBondContact NE2-SG 3.3Å; A376-C380 PolarHBondContact O-N 3.06Å; A376-C380 VanDerWaalsContact O-N 3.1Å; M377-C380 PolarHBondContact O-N 3.22Å; M377-C380 VanDerWaalsContact O-N 3.08Å; C380-C458 PolarHBondContact O-SG 3.29Å |
| 381 | D | 97.5 | Very high | 96.7 | Very high | 58 Ų | 58 | 34.5 Ų | 34.5 | 31% | 0.31 | 18% | 0.178 | S | C | . | . | trans | -81.8 | 125.6 | -175.7 | -173.5 | 3.7 | 0 | 0 | 0 | 110.1 | A376 N379 N383 G384 G411 C458 | A376-D381 HydrophobicContact CB-CB 4.35Å; A376-D381 PolarHBondContact O-N 3.42Å; N379-D381 HydrophobicContact CB-CB 4.46Å; N379-D381 PolarHBondContact O-N 3.44Å; D381-N383 PolarHBondContact OD1-N 3.2Å; D381-G384 PolarHBondContact OD2-N 3.46Å; D381-G411 PolarHBondContact O-N 2.64Å; D381-C458 PolarHBondContact O-SG 3.04Å; D381-C458 VanDerWaalsContact O-SG 3.36Å | ||
| 382 | Q | 96.4 | Very high | 96.5 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 31% | 0.308 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -83.5 | -19.5 | -179.6 | 73.9 | -166.3 | 37.2 | 0 | 0 | 112.7 | G411 T412 | Q382-G411 CarbonylContact O-C 3.56Å; Q382-G411 VanDerWaalsContact O-C 3.29Å; Q382-G411 WeakPolarHBondContact O-CA 3.12Å; Q382-T412 PolarHBondContact O-N 3.37Å; Q382-T412 PolarHBondContact O-OG1 3.38Å |
| 383 | N | 97 | Very high | 96.3 | Very high | 136 Ų | 136 | 28.8 Ų | 28.8 | 73% | 0.727 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -96.7 | -9.9 | -179.1 | -59.3 | -42.1 | 0 | 0 | 0 | 112.1 | D381 | D381-N383 PolarHBondContact OD1-N 3.2Š|
| 384 | G | 96.2 | Very high | 96 | Very high | 17 Ų | 17 | 30.4 Ų | 30.4 | 18% | 0.175 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -74.3 | -178 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | D381 G411 | D381-G384 PolarHBondContact OD2-N 3.46Å; G384-G411 WeakPolarHBondContact O-CA 3.23Å |
| 385 | P | 97.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | trans | -59.5 | 144.2 | 175.7 | 24.7 | -35.1 | 0 | 0 | 0 | 111.5 | E372 A376 M387 S410 G411 F480 | E372-P385 HydrophobicContact CB-CG 4.43Å; E372-P385 HydrophobicContact CG-CG 3.93Å; A376-P385 HydrophobicContact CB-CG 4.06Å; P385-M387 PolarHBondContact O-N 2.77Å; P385-S410 CarbonylContact O-C 3.52Å; P385-S410 VanDerWaalsContact O-C 3.3Å; P385-S410 WeakPolarHBondContact O-CB 3.46Å; P385-S410 PolarHBondContact O-OG 3.47Å; P385-G411 PolarHBondContact O-N 3.28Å; P385-F480 HydrophobicContact CB-CB 3.71Å; P385-F480 HydrophobicContact CG-CB 4.33Å | ||
| 386 | V | 98.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | trans | -65.6 | 128.9 | 173.1 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | S410 T412 I413 T478 T479 | V386-S410 VanDerWaalsContact CA-O 3.27Å; V386-S410 WeakPolarHBondContact CA-O 3.47Å; V386-T412 VanDerWaalsContact CG2-O 3.31Å; V386-T412 WeakPolarHBondContact CG2-O 3.32Å; V386-I413 HydrophobicContact CG1-CB 4.25Å; V386-I413 HydrophobicContact CG1-CD1 4.48Å; V386-T478 WeakPolarHBondContact O-CA 2.92Å; V386-T478 VanDerWaalsContact O-CB 3.31Å; V386-T478 WeakPolarHBondContact O-CB 3.07Å; V386-T478 PolarHBondContact O-OG1 2.68Å; V386-T479 HydrophobicContact CB-CG2 3.94Å; V386-T479 HydrophobicContact CG2-CG2 3.89Å; V386-T479 PolarHBondContact N-OG1 3.44Å; V386-T479 PolarHBondContact O-N 3.12Å | ||
| 387 | M | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 113.2 | 165.8 | -66.5 | -63.6 | -67.1 | 0 | 0 | 107.4 | Y365 A373 M377 P385 F409 S410 T476 T478 A483 | Y365-M387 HydrophobicContact CD2-CE 3.98Å; Y365-M387 HydrophobicContact CE2-CE 3.65Å; A373-M387 HydrophobicContact CB-CE 4.25Å; A373-M387 HydrophobicContact CB-CG 3.87Å; A373-M387 HydrophobicContact CB-SD 3.75Å; M377-M387 HydrophobicContact CG-CB 3.72Å; M377-M387 HydrophobicContact CG-CG 3.87Å; M377-M387 HydrophobicContact SD-CB 3.77Å; M377-M387 HydrophobicContact SD-CE 4.15Å; M377-M387 HydrophobicContact SD-CG 3.88Å; P385-M387 PolarHBondContact O-N 2.77Å; M387-F409 PolarHBondContact O-N 2.95Å; M387-S410 VanDerWaalsContact CB-OG 3.26Å; M387-S410 WeakPolarHBondContact CB-OG 3.33Å; M387-S410 VanDerWaalsContact CG-OG 3.28Å; M387-S410 WeakPolarHBondContact CG-OG 3.44Å; M387-S410 PolarHBondContact N-O 3.2Å; M387-S410 PolarHBondContact N-OG 2.95Å; M387-S410 PolarHBondContact O-N 3.25Å; M387-T476 HydrophobicContact CE-CG2 4.02Å; M387-T478 VanDerWaalsContact SD-CB 3.57Å; M387-T478 PolarHBondContact SD-OG1 3.13Å; M387-A483 HydrophobicContact CE-CB 4.26Å; M387-A483 HydrophobicContact SD-CB 4.02Å |
| 388 | M | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.2 | 179.1 | 170.5 | 170.8 | -165.9 | 0 | 0 | 110.4 | I390 R407 V408 I413 C462 L464 T476 I477 | M388-I390 HydrophobicContact CE-CD1 3.69Å; M388-I390 HydrophobicContact CG-CD1 4.21Å; M388-I390 HydrophobicContact SD-CD1 4.23Å; M388-R407 CarbonylContact C-O 3.54Å; M388-R407 WeakPolarHBondContact CA-O 3.33Å; M388-R407 WeakPolarHBondContact CG-O 3.5Å; M388-V408 HydrophobicContact CB-CG2 4.47Å; M388-V408 HydrophobicContact CG-CG2 4.42Å; M388-V408 HydrophobicContact SD-CG2 3.97Å; M388-I413 HydrophobicContact SD-CD1 3.61Å; M388-I413 HydrophobicContact SD-CG2 4.37Å; M388-C462 VanDerWaalsContact CE-SG 3.55Å; M388-L464 HydrophobicContact CE-CD1 4.04Å; M388-L464 HydrophobicContact CE-CD2 4.31Å; M388-L464 HydrophobicContact CE-CG 3.9Å; M388-L464 HydrophobicContact SD-CD1 3.66Å; M388-L464 HydrophobicContact SD-CD2 4.29Å; M388-L464 HydrophobicContact SD-CG 4.08Å; M388-T476 WeakPolarHBondContact O-CA 3.24Å; M388-I477 HydrophobicContact CB-CB 4.19Å; M388-I477 PolarHBondContact N-O 3.02Å; M388-I477 PolarHBondContact O-N 3.11Å |
| 389 | Y | 97.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.3 | 172.1 | -171.6 | -112.8 | 0 | 0 | 0 | 110.5 | R129 G406 R407 L486 M489 | R129-Y389 HydrophobicContact CG-CD1 3.68Å; R129-Y389 HydrophobicContact CG-CE1 3.51Å; Y389-G406 CarbonylContact O-C 3.59Å; Y389-G406 WeakPolarHBondContact O-CA 3.35Å; Y389-R407 PolarHBondContact N-O 2.68Å; Y389-R407 PolarHBondContact O-N 2.88Å; Y389-L486 HydrophobicContact CD2-CB 3.69Å; Y389-L486 HydrophobicContact CD2-CD1 4.15Å; Y389-L486 HydrophobicContact CE2-CB 4.23Å; Y389-L486 HydrophobicContact CG-CB 4.48Å; Y389-L486 HydrophobicContact CG-CD1 4.33Å; Y389-M489 HydrophobicContact CE1-CE 4.37Å |
| 390 | I | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.4 | 167 | -56.4 | -49.2 | 0 | 0 | 0 | 108.2 | M388 M393 A404 F405 L464 I471 T474 G475 I477 | M388-I390 HydrophobicContact CE-CD1 3.69Å; M388-I390 HydrophobicContact CG-CD1 4.21Å; M388-I390 HydrophobicContact SD-CD1 4.23Å; I390-M393 HydrophobicContact CG2-SD 4.06Å; I390-A404 HydrophobicContact CD1-CB 3.86Å; I390-A404 HydrophobicContact CG1-CB 4.06Å; I390-A404 HydrophobicContact CG2-CB 3.9Å; I390-F405 WeakPolarHBondContact CA-O 3.39Å; I390-L464 HydrophobicContact CD1-CD1 4.3Å; I390-I471 HydrophobicContact CB-CD1 4.38Å; I390-I471 HydrophobicContact CG1-CD1 3.71Å; I390-I471 HydrophobicContact CG2-CG2 4.21Å; I390-T474 VanDerWaalsContact O-CA 3.27Å; I390-T474 WeakPolarHBondContact O-CA 3.34Å; I390-T474 WeakPolarHBondContact O-CB 3.37Å; I390-G475 PolarHBondContact N-O 3.41Å; I390-G475 PolarHBondContact O-N 2.96Å; I390-I477 HydrophobicContact CD1-CD1 3.81Å; I390-I477 HydrophobicContact CG1-CD1 3.75Å; I390-I477 HydrophobicContact CG1-CG1 4.22Å |
| 391 | S | 92.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -26.9 | 179.5 | 62.9 | 0 | 0 | 0 | 0 | 113 | A126 V130 F405 M489 | A126-S391 WeakPolarHBondContact O-CB 3.39Å; A126-S391 PolarHBondContact O-OG 2.86Å; V130-S391 WeakPolarHBondContact CG1-OG 3.41Å; S391-F405 PolarHBondContact N-O 3.03Å; S391-M489 WeakPolarHBondContact O-CE 3.48Å |
| 392 | K | 90.3 | Very high | 89.8 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 164.2 | 175.6 | 62.4 | 176 | -174 | 166.3 | 0 | 113.8 | S72 E123 V394 F405 K473 | S72-K392 PolarHBondContact O-NZ 3.21Å; E123-K392 IonicContact OE2-NZ 3.81Å; E123-K392 PolarHBondContact OE2-NZ 3.15Å; K392-V394 HydrophobicContact CD-CG2 4.47Å; K392-V394 HydrophobicContact CG-CG2 4.34Å; K392-F405 HydrophobicContact CG-CB 4.28Å; K392-F405 HydrophobicContact CG-CD1 3.94Å; K392-F405 PolarHBondContact N-O 3.26Å; K392-F405 PolarHBondContact O-N 3.17Å; K392-K473 WeakPolarHBondContact CA-O 3.43Å |
| 393 | M | 91.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.1 | 171.6 | -53 | -58.2 | -64.5 | 0 | 0 | 110 | I390 F402 Y403 A404 D468 I471 K521 | I390-M393 HydrophobicContact CG2-SD 4.06Å; M393-F402 HydrophobicContact CB-CB 4.12Å; M393-F402 HydrophobicContact CB-CD1 3.76Å; M393-F402 HydrophobicContact CB-CG 4.18Å; M393-F402 HydrophobicContact CE-CB 3.63Å; M393-F402 HydrophobicContact CE-CG 4.48Å; M393-Y403 WeakPolarHBondContact CA-O 3.46Å; M393-A404 HydrophobicContact CE-CB 4.02Å; M393-A404 HydrophobicContact SD-CB 4.02Å; M393-D468 HydrophobicContact CE-CB 3.49Å; M393-D468 VanDerWaalsContact CE-CB 3.49Å; M393-I471 HydrophobicContact SD-CB 4.3Å; M393-I471 HydrophobicContact SD-CG2 3.96Å; M393-K521 HydrophobicContact CB-CB 4.46Å; M393-K521 WeakPolarHBondContact CB-O 3.25Å; M393-K521 HydrophobicContact CG-CB 4.41Å |
| 394 | V | 89.3 | Confident | 89.5 | Confident | 34 Ų | 34 | 33.9 Ų | 33.9 | 21% | 0.206 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121.6 | 178.5 | -178 | 0 | 0 | 0 | 0 | 108.8 | K392 F402 Y403 F405 M445 | K392-V394 HydrophobicContact CD-CG2 4.47Å; K392-V394 HydrophobicContact CG-CG2 4.34Å; V394-F402 CarbonylContact O-C 3.46Å; V394-F402 VanDerWaalsContact O-CA 3.28Å; V394-F402 WeakPolarHBondContact O-CA 3.39Å; V394-Y403 PolarHBondContact N-O 3.26Å; V394-Y403 PolarHBondContact O-N 3.44Å; V394-F405 HydrophobicContact CG2-CB 3.87Å; V394-M445 HydrophobicContact CB-CE 4.43Å; V394-M445 HydrophobicContact CG1-CE 4.15Å; V394-M445 HydrophobicContact CG2-CE 4.49Å |
| 395 | P | 85.8 | Confident | 89.4 | Confident | 60 Ų | 60 | 33.2 Ų | 33.2 | 39% | 0.39 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 139.2 | 175.2 | -22.9 | 31.8 | 0 | 0 | 0 | 111.7 | F402 | P395-F402 HydrophobicContact CB-CD1 4.42Å; P395-F402 HydrophobicContact CB-CE1 4.27Å; P395-F402 HydrophobicContact CG-CD1 4.21Å; P395-F402 HydrophobicContact CG-CE1 3.87Å |
| 396 | T | 84.1 | Confident | 89.3 | Confident | 23 Ų | 23 | 32.9 Ų | 32.9 | 14% | 0.141 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -97.4 | 172.5 | 174.9 | 76.9 | 0 | 0 | 0 | 0 | 111.8 | D398 R401 Y403 | T396-D398 PolarHBondContact O-N 2.95Å; T396-D398 PolarHBondContact OG1-N 3.06Å; T396-D398 VanDerWaalsContact OG1-N 3.11Å; T396-D398 PolarHBondContact OG1-O 3.37Å; T396-D398 VanDerWaalsContact OG1-O 3.06Å; T396-R401 HydrophobicContact CG2-CB 4.27Å; T396-R401 WeakPolarHBondContact CG2-O 3.21Å; T396-R401 PolarHBondContact N-O 2.75Å; T396-R401 WeakPolarHBondContact OG1-CB 3.38Å; T396-R401 PolarHBondContact OG1-O 3.08Å; T396-Y403 HydrophobicContact CG2-CD1 3.89Å; T396-Y403 HydrophobicContact CG2-CD2 3.47Å; T396-Y403 VanDerWaalsContact CG2-CD2 3.47Å; T396-Y403 HydrophobicContact CG2-CE1 3.78Å; T396-Y403 HydrophobicContact CG2-CE2 3.34Å; T396-Y403 HydrophobicContact CG2-CG 3.73Å; T396-Y403 VanDerWaalsContact CG2-CZ 3.48Å |
| 397 | S | 74.8 | Confident | 89.3 | Confident | 110 Ų | 110 | 32.7 Ų | 32.7 | 77% | 0.769 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -63 | -27.4 | 168.7 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | K399 | S397-K399 PolarHBondContact O-N 3.43Š|
| 398 | D | 77 | Confident | 89.3 | Confident | 105 Ų | 105 | 32.7 Ų | 32.7 | 56% | 0.561 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -79.7 | 120.3 | 178 | -63.9 | -23.4 | 0 | 0 | 0 | 109.6 | T396 G400 R401 | T396-D398 PolarHBondContact O-N 2.95Å; T396-D398 PolarHBondContact OG1-N 3.06Å; T396-D398 VanDerWaalsContact OG1-N 3.11Å; T396-D398 PolarHBondContact OG1-O 3.37Å; T396-D398 VanDerWaalsContact OG1-O 3.06Å; D398-G400 PolarHBondContact O-N 3.48Å; D398-R401 HydrophobicContact CB-CB 4.18Å; D398-R401 HydrophobicContact CB-CG 4.2Å; D398-R401 PolarHBondContact O-N 3.4Å; D398-R401 VanDerWaalsContact O-N 3.09Å |
| 399 | K | 72.5 | Confident | 89.3 | Confident | 179 Ų | 179 | 32.8 Ų | 32.8 | 78% | 0.778 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 127.6 | -179.3 | -70 | -171.2 | 177.1 | -172.8 | 0 | 110.7 | S397 R401 | S397-K399 PolarHBondContact O-N 3.43Å; K399-R401 VanDerWaalsContact C-N 3.33Å; K399-R401 PolarHBondContact O-N 2.86Å |
| 400 | G | 75 | Confident | 89.3 | Confident | 28 Ų | 28 | 32.7 Ų | 32.7 | 29% | 0.289 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -2.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D398 | D398-G400 PolarHBondContact O-N 3.48Š|
| 401 | R | 87.2 | Confident | 89.4 | Confident | 93 Ų | 93 | 32.7 Ų | 32.7 | 35% | 0.351 | 18% | 0.177 | S | C | . | . | trans | -103.7 | 147.5 | 177.3 | -67.2 | -65.5 | -171.1 | 170.3 | 0.7 | 112 | T396 D398 K399 D468 | T396-R401 HydrophobicContact CG2-CB 4.27Å; T396-R401 WeakPolarHBondContact CG2-O 3.21Å; T396-R401 PolarHBondContact N-O 2.75Å; T396-R401 WeakPolarHBondContact OG1-CB 3.38Å; T396-R401 PolarHBondContact OG1-O 3.08Å; D398-R401 HydrophobicContact CB-CB 4.18Å; D398-R401 HydrophobicContact CB-CG 4.2Å; D398-R401 PolarHBondContact O-N 3.4Å; D398-R401 VanDerWaalsContact O-N 3.09Å; K399-R401 VanDerWaalsContact C-N 3.33Å; K399-R401 PolarHBondContact O-N 2.86Å; R401-D468 IonicContact NH1-OD1 3.16Å | ||
| 402 | F | 91.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.5 | 174.3 | -65.2 | -102.2 | 0 | 0 | 0 | 111.4 | M393 V394 P395 D468 R518 K521 | M393-F402 HydrophobicContact CB-CB 4.12Å; M393-F402 HydrophobicContact CB-CD1 3.76Å; M393-F402 HydrophobicContact CB-CG 4.18Å; M393-F402 HydrophobicContact CE-CB 3.63Å; M393-F402 HydrophobicContact CE-CG 4.48Å; V394-F402 CarbonylContact O-C 3.46Å; V394-F402 VanDerWaalsContact O-CA 3.28Å; V394-F402 WeakPolarHBondContact O-CA 3.39Å; P395-F402 HydrophobicContact CB-CD1 4.42Å; P395-F402 HydrophobicContact CB-CE1 4.27Å; P395-F402 HydrophobicContact CG-CD1 4.21Å; P395-F402 HydrophobicContact CG-CE1 3.87Å; F402-D468 HydrophobicContact CB-CB 3.96Å; F402-D468 PolarHBondContact N-OD2 2.84Å; F402-D468 WeakPolarHBondContact O-CB 3.47Å; F402-R518 HydrophobicContact CE2-CB 4.31Å; F402-R518 HydrophobicContact CE2-CG 4.05Å; F402-R518 HydrophobicContact CZ-CB 3.9Å; F402-R518 HydrophobicContact CZ-CG 4.15Å; F402-R518 WeakPolarHBondContact CZ-O 3.34Å; F402-K521 HydrophobicContact CE1-CB 4.3Å; F402-K521 HydrophobicContact CE2-CB 4.46Å; F402-K521 HydrophobicContact CE2-CD 4.34Å; F402-K521 HydrophobicContact CZ-CB 4.16Å |
| 403 | Y | 92.7 | Very high | 90.1 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 9% | 0.094 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 126.9 | 159.7 | -58 | -62.8 | 0 | 0 | 0 | 108.7 | M393 V394 T396 F405 V443 M445 T450 L464 V465 | M393-Y403 WeakPolarHBondContact CA-O 3.46Å; V394-Y403 PolarHBondContact N-O 3.26Å; V394-Y403 PolarHBondContact O-N 3.44Å; T396-Y403 HydrophobicContact CG2-CD1 3.89Å; T396-Y403 HydrophobicContact CG2-CD2 3.47Å; T396-Y403 VanDerWaalsContact CG2-CD2 3.47Å; T396-Y403 HydrophobicContact CG2-CE1 3.78Å; T396-Y403 HydrophobicContact CG2-CE2 3.34Å; T396-Y403 HydrophobicContact CG2-CG 3.73Å; T396-Y403 VanDerWaalsContact CG2-CZ 3.48Å; Y403-F405 PolarHBondContact O-N 3.17Å; Y403-V443 HydrophobicContact CD1-CG2 3.77Å; Y403-V443 HydrophobicContact CE1-CG1 4.41Å; Y403-V443 HydrophobicContact CE1-CG2 4.02Å; Y403-V443 HydrophobicContact CG-CG2 4.39Å; Y403-M445 HydrophobicContact CD2-CE 4.2Å; Y403-T450 HydrophobicContact CD2-CG2 4.41Å; Y403-T450 HydrophobicContact CE2-CG2 3.78Å; Y403-L464 WeakPolarHBondContact CA-O 3.39Å; Y403-V465 HydrophobicContact CD1-CG2 3.61Å; Y403-V465 HydrophobicContact CE1-CG2 3.55Å |
| 404 | A | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 101 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108 | I390 M393 G463 L464 V467 I471 | I390-A404 HydrophobicContact CD1-CB 3.86Å; I390-A404 HydrophobicContact CG1-CB 4.06Å; I390-A404 HydrophobicContact CG2-CB 3.9Å; M393-A404 HydrophobicContact CE-CB 4.02Å; M393-A404 HydrophobicContact SD-CB 4.02Å; A404-G463 CarbonylContact O-C 3.54Å; A404-G463 WeakPolarHBondContact O-CA 3.42Å; A404-L464 HydrophobicContact CB-CB 4.33Å; A404-L464 PolarHBondContact N-O 2.77Å; A404-L464 PolarHBondContact O-N 3.44Å; A404-V467 HydrophobicContact CB-CG2 3.59Å; A404-I471 HydrophobicContact CB-CD1 4.4Å |
| 405 | F | 94.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.5 | -176.5 | 175.8 | -104.1 | 0 | 0 | 0 | 110.8 | A74 I112 V130 I390 S391 K392 V394 Y403 M445 I461 | A74-F405 HydrophobicContact CB-CE2 3.82Å; A74-F405 HydrophobicContact CB-CZ 3.63Å; I112-F405 HydrophobicContact CD1-CE1 4.02Å; I112-F405 HydrophobicContact CD1-CZ 3.94Å; V130-F405 HydrophobicContact CG2-CE1 4.16Å; I390-F405 WeakPolarHBondContact CA-O 3.39Å; S391-F405 PolarHBondContact N-O 3.03Å; K392-F405 HydrophobicContact CG-CB 4.28Å; K392-F405 HydrophobicContact CG-CD1 3.94Å; K392-F405 PolarHBondContact N-O 3.26Å; K392-F405 PolarHBondContact O-N 3.17Å; V394-F405 HydrophobicContact CG2-CB 3.87Å; Y403-F405 PolarHBondContact O-N 3.17Å; F405-M445 HydrophobicContact CD2-CG 3.68Å; F405-M445 HydrophobicContact CE2-CB 4.46Å; F405-M445 HydrophobicContact CE2-CG 3.83Å; F405-I461 HydrophobicContact CE2-CB 4.22Å; F405-I461 HydrophobicContact CE2-CD1 4.04Å; F405-I461 HydrophobicContact CE2-CG1 4.49Å; F405-I461 HydrophobicContact CZ-CB 4.25Å; F405-I461 HydrophobicContact CZ-CD1 3.82Å |
| 406 | G | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170 | -171.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y389 I461 C462 | Y389-G406 CarbonylContact O-C 3.59Å; Y389-G406 WeakPolarHBondContact O-CA 3.35Å; G406-I461 CarbonylContact O-C 3.51Å; G406-I461 VanDerWaalsContact O-CA 3.26Å; G406-I461 WeakPolarHBondContact O-CA 2.86Å; G406-C462 PolarHBondContact N-O 3.15Å; G406-C462 PolarHBondContact O-N 3.49Å |
| 407 | R | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 135.8 | 178.2 | 172.8 | 163.5 | 172.3 | -178.8 | -1.3 | 112 | V130 D132 M388 Y389 F409 I461 | V130-R407 HydrophobicContact CB-CB 3.92Å; V130-R407 HydrophobicContact CG1-CB 3.88Å; V130-R407 WeakPolarHBondContact O-CD 3.39Å; V130-R407 PolarHBondContact O-NH1 3.49Å; D132-R407 IonicContact OD1-CZ 3.17Å; D132-R407 IonicContact OD1-NH1 3.7Å; D132-R407 PolarHBondContact OD1-NH1 2.83Å; D132-R407 IonicContact OD1-NH2 2.86Å; D132-R407 PolarHBondContact OD1-NH2 2.92Å; D132-R407 IonicContact OD2-CZ 3.22Å; D132-R407 IonicContact OD2-NH1 3.77Å; D132-R407 PolarHBondContact OD2-NH1 3.31Å; D132-R407 VanDerWaalsContact OD2-NH1 3.09Å; D132-R407 IonicContact OD2-NH2 2.79Å; D132-R407 PolarHBondContact OD2-NH2 2.79Å; M388-R407 CarbonylContact C-O 3.54Å; M388-R407 WeakPolarHBondContact CA-O 3.33Å; M388-R407 WeakPolarHBondContact CG-O 3.5Å; Y389-R407 PolarHBondContact N-O 2.68Å; Y389-R407 PolarHBondContact O-N 2.88Å; R407-F409 HydrophobicContact CB-CE2 4.15Å; R407-F409 HydrophobicContact CB-CZ 4.28Å; R407-F409 HydrophobicContact CG-CD1 4.39Å; R407-F409 HydrophobicContact CG-CD2 4.34Å; R407-F409 HydrophobicContact CG-CE1 4.21Å; R407-F409 HydrophobicContact CG-CE2 4.15Å; R407-F409 HydrophobicContact CG-CG 4.46Å; R407-F409 HydrophobicContact CG-CZ 4.09Å; R407-I461 HydrophobicContact CB-CG2 4.15Å |
| 408 | V | 98.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 115.3 | 169.3 | -169.6 | 0 | 0 | 0 | 0 | 108.5 | M388 S410 I413 V456 C458 G459 N460 | M388-V408 HydrophobicContact CB-CG2 4.47Å; M388-V408 HydrophobicContact CG-CG2 4.42Å; M388-V408 HydrophobicContact SD-CG2 3.97Å; V408-S410 VanDerWaalsContact CG1-O 3.28Å; V408-S410 WeakPolarHBondContact CG1-O 3.39Å; V408-I413 HydrophobicContact CG2-CB 4.27Å; V408-I413 HydrophobicContact CG2-CG2 3.47Å; V408-I413 VanDerWaalsContact CG2-CG2 3.47Å; V408-V456 HydrophobicContact CG2-CG1 4.16Å; V408-C458 HydrophobicContact CG1-CB 4.02Å; V408-C458 CarbonylContact O-C 3.45Å; V408-C458 WeakPolarHBondContact O-CA 3.14Å; V408-G459 PolarHBondContact O-N 3.23Å; V408-N460 PolarHBondContact N-O 2.85Å |
| 409 | F | 98 | Very high | 93.8 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -32.1 | 178.6 | -70.8 | -79.7 | 0 | 0 | 0 | 112.7 | Q357 L364 M377 M387 R407 C458 L486 | Q357-F409 HydrophobicContact CG-CD1 4.24Å; Q357-F409 PolarHBondContact NE2-O 3.29Å; L364-F409 HydrophobicContact CD1-CD1 4.34Å; L364-F409 HydrophobicContact CD1-CE1 3.61Å; L364-F409 HydrophobicContact CD1-CZ 3.85Å; M377-F409 HydrophobicContact CB-CB 4.49Å; M377-F409 HydrophobicContact CE-CB 3.62Å; M377-F409 HydrophobicContact CE-CD1 4.31Å; M377-F409 HydrophobicContact CE-CD2 4.25Å; M377-F409 HydrophobicContact CE-CG 3.82Å; M377-F409 HydrophobicContact CG-CB 3.9Å; M377-F409 HydrophobicContact SD-CB 4.4Å; M387-F409 PolarHBondContact O-N 2.95Å; R407-F409 HydrophobicContact CB-CE2 4.15Å; R407-F409 HydrophobicContact CB-CZ 4.28Å; R407-F409 HydrophobicContact CG-CD1 4.39Å; R407-F409 HydrophobicContact CG-CD2 4.34Å; R407-F409 HydrophobicContact CG-CE1 4.21Å; R407-F409 HydrophobicContact CG-CE2 4.15Å; R407-F409 HydrophobicContact CG-CG 4.46Å; R407-F409 HydrophobicContact CG-CZ 4.09Å; F409-C458 WeakPolarHBondContact O-CB 3.48Å; F409-L486 HydrophobicContact CD2-CD1 3.97Å; F409-L486 HydrophobicContact CE2-CD1 4.19Å |
| 410 | S | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 164.4 | 171.4 | 61.6 | 0 | 0 | 0 | 0 | 111 | A376 P385 V386 M387 V408 C458 | A376-S410 VanDerWaalsContact C-CB 3.49Å; P385-S410 CarbonylContact O-C 3.52Å; P385-S410 VanDerWaalsContact O-C 3.3Å; P385-S410 WeakPolarHBondContact O-CB 3.46Å; P385-S410 PolarHBondContact O-OG 3.47Å; V386-S410 VanDerWaalsContact CA-O 3.27Å; V386-S410 WeakPolarHBondContact CA-O 3.47Å; M387-S410 VanDerWaalsContact CB-OG 3.26Å; M387-S410 WeakPolarHBondContact CB-OG 3.33Å; M387-S410 VanDerWaalsContact CG-OG 3.28Å; M387-S410 WeakPolarHBondContact CG-OG 3.44Å; M387-S410 PolarHBondContact N-O 3.2Å; M387-S410 PolarHBondContact N-OG 2.95Å; M387-S410 PolarHBondContact O-N 3.25Å; V408-S410 VanDerWaalsContact CG1-O 3.28Å; V408-S410 WeakPolarHBondContact CG1-O 3.39Å; S410-C458 VanDerWaalsContact CA-CB 3.42Å |
| 411 | G | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 69.1 | -166.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D381 Q382 G384 P385 C458 | D381-G411 PolarHBondContact O-N 2.64Å; Q382-G411 CarbonylContact O-C 3.56Å; Q382-G411 VanDerWaalsContact O-C 3.29Å; Q382-G411 WeakPolarHBondContact O-CA 3.12Å; G384-G411 WeakPolarHBondContact O-CA 3.23Å; P385-G411 PolarHBondContact O-N 3.28Å; G411-C458 VanDerWaalsContact O-CB 3.3Å; G411-C458 WeakPolarHBondContact O-CB 3.44Å; G411-C458 PolarHBondContact O-N 2.94Å |
| 412 | T | 98.2 | Very high | 96.3 | Very high | 39 Ų | 39 | 22.4 Ų | 22.4 | 24% | 0.239 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 121.9 | 176 | -58.8 | 0 | 0 | 0 | 0 | 108 | Q382 V386 Q417 D455 | Q382-T412 PolarHBondContact O-N 3.37Å; Q382-T412 PolarHBondContact O-OG1 3.38Å; V386-T412 VanDerWaalsContact CG2-O 3.31Å; V386-T412 WeakPolarHBondContact CG2-O 3.32Å; T412-Q417 PolarHBondContact O-NE2 3.24Å; T412-Q417 PolarHBondContact O-OE1 3.34Å; T412-D455 HydrophobicContact CG2-CB 4.03Å; T412-D455 WeakPolarHBondContact CG2-OD1 3.32Å |
| 413 | I | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 128.9 | 178.8 | -164.1 | 164.9 | 0 | 0 | 0 | 110.3 | V386 M388 V408 Q417 I439 T442 D455 V456 L464 I477 | V386-I413 HydrophobicContact CG1-CB 4.25Å; V386-I413 HydrophobicContact CG1-CD1 4.48Å; M388-I413 HydrophobicContact SD-CD1 3.61Å; M388-I413 HydrophobicContact SD-CG2 4.37Å; V408-I413 HydrophobicContact CG2-CB 4.27Å; V408-I413 HydrophobicContact CG2-CG2 3.47Å; V408-I413 VanDerWaalsContact CG2-CG2 3.47Å; I413-Q417 VanDerWaalsContact CA-OE1 3.24Å; I413-I439 HydrophobicContact CD1-CD1 4.4Å; I413-I439 HydrophobicContact CD1-CG1 4.2Å; I413-I439 HydrophobicContact CG1-CG1 4.28Å; I413-T442 HydrophobicContact CG2-CG2 4.22Å; I413-D455 CarbonylContact O-C 3.57Å; I413-D455 WeakPolarHBondContact O-CA 3.37Å; I413-D455 WeakPolarHBondContact O-CB 3.43Å; I413-V456 HydrophobicContact CG2-CB 3.91Å; I413-V456 PolarHBondContact N-O 3.16Å; I413-V456 PolarHBondContact O-N 3.14Å; I413-L464 HydrophobicContact CD1-CD1 3.57Å; I413-L464 HydrophobicContact CD1-CD2 3.83Å; I413-L464 HydrophobicContact CD1-CG 4.33Å; I413-L464 HydrophobicContact CG1-CD2 4.37Å; I413-L464 HydrophobicContact CG2-CD2 4.41Å; I413-I477 HydrophobicContact CD1-CG2 4.18Å |
| 414 | G | 96.5 | Very high | 95.9 | Very high | 12 Ų | 12 | 23 Ų | 23 | 12% | 0.124 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G416 Q417 | G414-G416 PolarHBondContact O-N 2.93Å; G414-Q417 WeakPolarHBondContact O-CB 3.43Å; G414-Q417 PolarHBondContact O-N 3.33Å |
| 415 | T | 97.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 28.6 Ų | 28.6 | 42% | 0.417 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 131.1 | 166.4 | -68.6 | 0 | 0 | 0 | 0 | 110 | Q417 Q440 R441 T442 E454 | T415-Q417 VanDerWaalsContact C-N 3.28Å; T415-Q417 PolarHBondContact O-N 3.19Å; T415-Q440 WeakPolarHBondContact CG2-O 3.5Å; T415-R441 WeakPolarHBondContact OG1-CA 3.5Å; T415-T442 PolarHBondContact OG1-N 2.83Å; T415-T442 VanDerWaalsContact OG1-N 3.12Å; T415-T442 PolarHBondContact OG1-OG1 3.02Å; T415-E454 WeakPolarHBondContact CB-O 3.35Å; T415-E454 PolarHBondContact N-O 2.71Å; T415-E454 PolarHBondContact OG1-O 3.4Å |
| 416 | G | 96 | Very high | 95 | Very high | 48 Ų | 48 | 29.2 Ų | 29.2 | 50% | 0.495 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -1.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | G414 T438 I439 | G414-G416 PolarHBondContact O-N 2.93Å; G416-T438 VanDerWaalsContact C-CG2 3.45Å; G416-T438 VanDerWaalsContact O-CG2 3.28Å; G416-T438 WeakPolarHBondContact O-CG2 3.33Å; G416-I439 WeakPolarHBondContact CA-O 3.37Å; G416-I439 PolarHBondContact N-O 3.5Å |
| 417 | Q | 96.9 | Very high | 94.6 | Very high | 53 Ų | 53 | 32.5 Ų | 32.5 | 25% | 0.248 | 18% | 0.183 | C | C | . | . | trans | -74 | 135.4 | 179.1 | -166.6 | 178.9 | 26.5 | 0 | 0 | 111.6 | T412 I413 G414 T415 V419 T438 I439 | T412-Q417 PolarHBondContact O-NE2 3.24Å; T412-Q417 PolarHBondContact O-OE1 3.34Å; I413-Q417 VanDerWaalsContact CA-OE1 3.24Å; G414-Q417 WeakPolarHBondContact O-CB 3.43Å; G414-Q417 PolarHBondContact O-N 3.33Å; T415-Q417 VanDerWaalsContact C-N 3.28Å; T415-Q417 PolarHBondContact O-N 3.19Å; Q417-V419 HydrophobicContact CG-CG1 4.28Å; Q417-T438 WeakPolarHBondContact O-CA 3.48Å; Q417-I439 PolarHBondContact O-N 3.27Å | ||
| 418 | K | 97.4 | Very high | 94 | Very high | 169 Ų | 169 | 35.3 Ų | 35.3 | 74% | 0.735 | 20% | 0.202 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 128.9 | 170.8 | -71.1 | -177.7 | 179.6 | 179.8 | 0 | 109.9 | K437 | K418-K437 WeakPolarHBondContact CA-O 3.42Å |
| 419 | V | 97.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 158.6 | -177.1 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | Q417 I421 E436 K437 I439 I477 T479 | Q417-V419 HydrophobicContact CG-CG1 4.28Å; V419-I421 HydrophobicContact CG2-CG1 4.28Å; V419-E436 WeakPolarHBondContact O-CA 3.39Å; V419-K437 PolarHBondContact N-O 3.24Å; V419-K437 PolarHBondContact O-N 3.04Å; V419-K437 VanDerWaalsContact O-O 3.07Å; V419-I439 HydrophobicContact CG1-CG1 4.2Å; V419-I439 HydrophobicContact CG2-CD1 3.59Å; V419-I439 HydrophobicContact CG2-CG1 3.97Å; V419-I477 HydrophobicContact CB-CG2 3.74Å; V419-I477 HydrophobicContact CG1-CG2 4.06Å; V419-I477 HydrophobicContact CG2-CG2 3.71Å; V419-T479 HydrophobicContact CG1-CG2 4.24Å |
| 420 | R | 96.3 | Very high | 92.8 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 15% | 0.151 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 133.5 | 167.2 | -59.5 | 167.9 | 66.3 | 110.2 | -11.9 | 107.9 | L434 Y435 E436 I477 T478 A481 | R420-L434 HydrophobicContact CB-CD1 4.11Å; R420-Y435 CarbonylContact C-O 3.5Å; R420-Y435 WeakPolarHBondContact CA-O 3.43Å; R420-E436 HydrophobicContact CG-CG 4.12Å; R420-E436 IonicContact NH1-OE1 2.81Å; R420-E436 PolarHBondContact NH1-OE1 3.3Å; R420-I477 CarbonylContact O-C 3.58Å; R420-I477 VanDerWaalsContact O-CA 3.32Å; R420-I477 WeakPolarHBondContact O-CA 3.25Å; R420-T478 HydrophobicContact CB-CG2 3.97Å; R420-T478 WeakPolarHBondContact CB-O 3.33Å; R420-T478 PolarHBondContact N-O 3.23Å; R420-T478 PolarHBondContact O-N 3.31Å; R420-A481 PolarHBondContact NH2-O 2.81Å |
| 421 | I | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 116 | 176 | -54.3 | 169.4 | 0 | 0 | 0 | 105.8 | V419 Y435 K437 V467 F470 I471 T476 I477 | V419-I421 HydrophobicContact CG2-CG1 4.28Å; I421-Y435 PolarHBondContact N-O 3.03Å; I421-Y435 PolarHBondContact O-N 3.06Å; I421-K437 HydrophobicContact CD1-CB 3.98Å; I421-K437 HydrophobicContact CD1-CG 4.23Å; I421-V467 HydrophobicContact CD1-CB 3.82Å; I421-V467 HydrophobicContact CD1-CG1 3.7Å; I421-F470 HydrophobicContact CD1-CB 4.11Å; I421-F470 HydrophobicContact CD1-CD2 4.05Å; I421-F470 HydrophobicContact CD1-CG 4.38Å; I421-F470 HydrophobicContact CG2-CB 4.38Å; I421-I471 HydrophobicContact CG2-CD1 3.78Å; I421-I471 HydrophobicContact CG2-CG1 3.51Å; I421-T476 WeakPolarHBondContact CA-O 3.32Å; I421-I477 HydrophobicContact CG1-CG1 4.32Å |
| 422 | T | 93.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 124.6 | 176.1 | 55.5 | 0 | 0 | 0 | 0 | 109.1 | Y426 D433 L434 G475 T476 N485 | T422-Y426 HydrophobicContact CG2-CD1 3.53Å; T422-Y426 HydrophobicContact CG2-CD2 3.92Å; T422-Y426 HydrophobicContact CG2-CE1 3.75Å; T422-Y426 HydrophobicContact CG2-CE2 4.12Å; T422-Y426 HydrophobicContact CG2-CG 3.61Å; T422-D433 WeakPolarHBondContact CA-O 3.27Å; T422-L434 HydrophobicContact CG2-CD1 3.58Å; T422-G475 WeakPolarHBondContact O-CA 3.44Å; T422-T476 PolarHBondContact N-O 3.01Å; T422-T476 PolarHBondContact O-N 3.37Å; T422-T476 WeakPolarHBondContact OG1-CB 3.19Å; T422-T476 PolarHBondContact OG1-O 3.49Å; T422-N485 VanDerWaalsContact CB-OD1 3.25Å; T422-N485 WeakPolarHBondContact CB-OD1 3.35Å; T422-N485 PolarHBondContact OG1-OD1 2.9Å |
| 423 | G | 90.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | trans | -81.1 | 178.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N425 Y426 D433 N485 | G423-N425 PolarHBondContact O-N 3.1Å; G423-N425 VanDerWaalsContact O-N 3.14Å; G423-Y426 WeakPolarHBondContact O-CB 3.44Å; G423-Y426 PolarHBondContact O-N 3.19Å; G423-Y426 VanDerWaalsContact O-N 3.16Å; G423-D433 VanDerWaalsContact CA-CG 3.41Å; G423-D433 WeakPolarHBondContact CA-OD2 3.45Å; G423-D433 PolarHBondContact N-O 3.21Å; G423-N485 PolarHBondContact O-ND2 3.01Å | ||
| 424 | P | 84.6 | Confident | 91.3 | Very high | 38 Ų | 38 | 61.4 Ų | 61.4 | 25% | 0.247 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -26.1 | -174 | -20.9 | 32.2 | 0 | 0 | 0 | 114 | D433 Q488 | P424-D433 WeakPolarHBondContact CD-OD2 3.4Å; P424-Q488 HydrophobicContact CB-CG 4.3Å; P424-Q488 PolarHBondContact O-NE2 3.03Å |
| 425 | N | 83.8 | Confident | 91.2 | Very high | 117 Ų | 117 | 65.2 Ų | 65.2 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 2.8 | -176.5 | -60.2 | -44.9 | 0 | 0 | 0 | 113.3 | G423 V427 D433 | G423-N425 PolarHBondContact O-N 3.1Å; G423-N425 VanDerWaalsContact O-N 3.14Å; N425-V427 PolarHBondContact O-N 3.23Å; N425-D433 HydrophobicContact CB-CB 4.32Å; N425-D433 PolarHBondContact N-OD2 3.29Å |
| 426 | Y | 87.3 | Confident | 91.1 | Very high | 16 Ų | 16 | 68.1 Ų | 68.1 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | trans | -61.1 | 129.2 | 178.3 | 170.1 | -106.7 | 0 | 0 | 0 | 111 | T422 G423 K430 L434 | T422-Y426 HydrophobicContact CG2-CD1 3.53Å; T422-Y426 HydrophobicContact CG2-CD2 3.92Å; T422-Y426 HydrophobicContact CG2-CE1 3.75Å; T422-Y426 HydrophobicContact CG2-CE2 4.12Å; T422-Y426 HydrophobicContact CG2-CG 3.61Å; G423-Y426 WeakPolarHBondContact O-CB 3.44Å; G423-Y426 PolarHBondContact O-N 3.19Å; G423-Y426 VanDerWaalsContact O-N 3.16Å; Y426-K430 WeakPolarHBondContact CE2-O 3.28Å; Y426-L434 HydrophobicContact CD2-CB 3.9Å; Y426-L434 HydrophobicContact CE2-CB 4.01Å; Y426-L434 HydrophobicContact CE2-CD1 4.43Å; Y426-L434 HydrophobicContact CE2-CD2 4.16Å; Y426-L434 HydrophobicContact CE2-CG 4.42Å | ||
| 427 | V | 86.1 | Confident | 91.1 | Very high | 69 Ų | 69 | 69.9 Ų | 69.9 | 42% | 0.418 | 35% | 0.354 | S | S | . | . | trans | -111.4 | 127.8 | 172.3 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | N425 G429 K430 | N425-V427 PolarHBondContact O-N 3.23Å; V427-G429 PolarHBondContact O-N 2.98Å; V427-K430 HydrophobicContact CB-CB 4.45Å; V427-K430 HydrophobicContact CB-CD 4.07Å; V427-K430 HydrophobicContact CB-CG 4.25Å; V427-K430 HydrophobicContact CG1-CD 4.38Å; V427-K430 HydrophobicContact CG1-CG 4.46Å; V427-K430 WeakPolarHBondContact O-CB 3.42Å; V427-K430 PolarHBondContact O-N 3.47Å | ||
| 428 | P | 84.8 | Confident | 91.1 | Very high | 59 Ų | 59 | 70.4 Ų | 70.4 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 129.3 | 177.8 | -26.9 | 31.4 | 0 | 0 | 0 | 112.8 | K430 H484 | P428-K430 VanDerWaalsContact C-N 3.31Å; P428-K430 PolarHBondContact O-N 2.78Å; P428-H484 WeakPolarHBondContact CG-CD2 3.46Å; P428-H484 WeakPolarHBondContact CG-NE2 3.41Å |
| 429 | G | 84.9 | Confident | 91 | Very high | 82 Ų | 82 | 62.4 Ų | 62.4 | 85% | 0.845 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | -10.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V427 | V427-G429 PolarHBondContact O-N 2.98Š|
| 430 | K | 87.9 | Confident | 90.9 | Very high | 117 Ų | 117 | 67.7 Ų | 67.7 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | trans | -94.3 | 160.5 | 171 | -60.9 | -167.5 | -176.7 | 176.6 | 0 | 111.2 | Y426 V427 P428 | Y426-K430 WeakPolarHBondContact CE2-O 3.28Å; V427-K430 HydrophobicContact CB-CB 4.45Å; V427-K430 HydrophobicContact CB-CD 4.07Å; V427-K430 HydrophobicContact CB-CG 4.25Å; V427-K430 HydrophobicContact CG1-CD 4.38Å; V427-K430 HydrophobicContact CG1-CG 4.46Å; V427-K430 WeakPolarHBondContact O-CB 3.42Å; V427-K430 PolarHBondContact O-N 3.47Å; P428-K430 VanDerWaalsContact C-N 3.31Å; P428-K430 PolarHBondContact O-N 2.78Å | ||
| 431 | K | 89.3 | Confident | 90.9 | Very high | 191 Ų | 191 | 70.3 Ų | 70.3 | 83% | 0.83 | 36% | 0.361 | S | S | * | . | trans | -96.2 | -5.9 | 175.1 | -66.2 | -174.5 | 178.2 | -178.1 | 0 | 113.4 | L434 | K431-L434 PolarHBondContact O-N 3.33Š| ||
| 432 | E | 87.7 | Confident | 90.8 | Very high | 132 Ų | 132 | 70.3 Ų | 70.3 | 62% | 0.617 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 133.3 | 178.3 | -171 | 171.8 | -170.5 | 0 | 0 | 109.7 | L434 | E432-L434 PolarHBondContact O-N 3.4Š|
| 433 | D | 88.6 | Confident | 90.8 | Very high | 33 Ų | 33 | 70.1 Ų | 70.1 | 18% | 0.176 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 25.2 | -179 | -149.7 | 17.5 | 0 | 0 | 0 | 115 | T422 G423 P424 N425 | T422-D433 WeakPolarHBondContact CA-O 3.27Å; G423-D433 VanDerWaalsContact CA-CG 3.41Å; G423-D433 WeakPolarHBondContact CA-OD2 3.45Å; G423-D433 PolarHBondContact N-O 3.21Å; P424-D433 WeakPolarHBondContact CD-OD2 3.4Å; N425-D433 HydrophobicContact CB-CB 4.32Å; N425-D433 PolarHBondContact N-OD2 3.29Å |
| 434 | L | 93.6 | Very high | 90.8 | Very high | 34 Ų | 34 | 70.1 Ų | 70.1 | 18% | 0.178 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.5 | 175.8 | 171.3 | 67.9 | 0 | 0 | 0 | 111 | R420 T422 Y426 K431 E432 | R420-L434 HydrophobicContact CB-CD1 4.11Å; T422-L434 HydrophobicContact CG2-CD1 3.58Å; Y426-L434 HydrophobicContact CD2-CB 3.9Å; Y426-L434 HydrophobicContact CE2-CB 4.01Å; Y426-L434 HydrophobicContact CE2-CD1 4.43Å; Y426-L434 HydrophobicContact CE2-CD2 4.16Å; Y426-L434 HydrophobicContact CE2-CG 4.42Å; K431-L434 PolarHBondContact O-N 3.33Å; E432-L434 PolarHBondContact O-N 3.4Å |
| 435 | Y | 95.1 | Very high | 91 | Very high | 92 Ų | 92 | 69.2 Ų | 69.2 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.6 | 178.8 | -50.6 | -87.5 | 0 | 0 | 0 | 111.4 | R420 I421 F470 | R420-Y435 CarbonylContact C-O 3.5Å; R420-Y435 WeakPolarHBondContact CA-O 3.43Å; I421-Y435 PolarHBondContact N-O 3.03Å; I421-Y435 PolarHBondContact O-N 3.06Å; Y435-F470 AromaticContact CD1-CD1 3.75Å; Y435-F470 HydrophobicContact CD1-CD1 3.75Å; Y435-F470 HydrophobicContact CD1-CE1 4.5Å; Y435-F470 HydrophobicContact CD2-CB 3.94Å; Y435-F470 HydrophobicContact CE1-CD1 4.28Å; Y435-F470 HydrophobicContact CE2-CB 4.46Å; Y435-F470 HydrophobicContact CG-CB 4.02Å; Y435-F470 AromaticContact CG-CD1 3.91Å; Y435-F470 HydrophobicContact CG-CD1 3.91Å; Y435-F470 HydrophobicContact CG-CG 4.23Å |
| 436 | E | 95 | Very high | 91 | Very high | 130 Ų | 130 | 64.7 Ų | 64.7 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 116.8 | 172 | -64.1 | -169.9 | 167.7 | 0 | 0 | 109.8 | V419 R420 | V419-E436 WeakPolarHBondContact O-CA 3.39Å; R420-E436 HydrophobicContact CG-CG 4.12Å; R420-E436 IonicContact NH1-OE1 2.81Å; R420-E436 PolarHBondContact NH1-OE1 3.3Å |
| 437 | K | 95.8 | Very high | 90.7 | Very high | 85 Ų | 85 | 65 Ų | 65 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 165.9 | -170.2 | -63 | -66.2 | 165.6 | -179.1 | 0 | 111.7 | K418 V419 I421 F470 | K418-K437 WeakPolarHBondContact CA-O 3.42Å; V419-K437 PolarHBondContact N-O 3.24Å; V419-K437 PolarHBondContact O-N 3.04Å; V419-K437 VanDerWaalsContact O-O 3.07Å; I421-K437 HydrophobicContact CD1-CB 3.98Å; I421-K437 HydrophobicContact CD1-CG 4.23Å; K437-F470 HydrophobicContact CB-CE2 4.35Å; K437-F470 HydrophobicContact CD-CD2 4.34Å; K437-F470 HydrophobicContact CD-CE1 4.08Å; K437-F470 HydrophobicContact CD-CE2 3.66Å; K437-F470 HydrophobicContact CD-CZ 3.51Å; K437-F470 VanDerWaalsContact CE-CE1 3.44Å; K437-F470 HydrophobicContact CG-CD1 4.47Å; K437-F470 HydrophobicContact CG-CD2 3.76Å; K437-F470 HydrophobicContact CG-CE1 4.31Å; K437-F470 HydrophobicContact CG-CE2 3.56Å; K437-F470 HydrophobicContact CG-CG 4.23Å; K437-F470 HydrophobicContact CG-CZ 3.87Å |
| 438 | T | 96.6 | Very high | 90.2 | Very high | 64 Ų | 64 | 68.6 Ų | 68.6 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.5 | 177.6 | -61.2 | 0 | 0 | 0 | 0 | 109.7 | G416 Q417 Q440 | G416-T438 VanDerWaalsContact C-CG2 3.45Å; G416-T438 VanDerWaalsContact O-CG2 3.28Å; G416-T438 WeakPolarHBondContact O-CG2 3.33Å; Q417-T438 WeakPolarHBondContact O-CA 3.48Å; T438-Q440 PolarHBondContact O-N 3.45Å |
| 439 | I | 96.5 | Very high | 90 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -66.8 | 124.5 | 171.9 | -57.7 | -51 | 0 | 0 | 0 | 109 | I413 G416 Q417 V419 T442 L464 V467 | I413-I439 HydrophobicContact CD1-CD1 4.4Å; I413-I439 HydrophobicContact CD1-CG1 4.2Å; I413-I439 HydrophobicContact CG1-CG1 4.28Å; G416-I439 WeakPolarHBondContact CA-O 3.37Å; G416-I439 PolarHBondContact N-O 3.5Å; Q417-I439 PolarHBondContact O-N 3.27Å; V419-I439 HydrophobicContact CG1-CG1 4.2Å; V419-I439 HydrophobicContact CG2-CD1 3.59Å; V419-I439 HydrophobicContact CG2-CG1 3.97Å; I439-T442 HydrophobicContact CG2-CG2 4.26Å; I439-L464 HydrophobicContact CD1-CD1 3.87Å; I439-L464 HydrophobicContact CG2-CD2 4.19Å; I439-V467 HydrophobicContact CD1-CG1 3.38Å | ||
| 440 | Q | 95.3 | Very high | 90 | Very high | 115 Ų | 115 | 66.5 Ų | 66.5 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | trans | -80.2 | -39.4 | 179.9 | -66.3 | -179 | -8.6 | 0 | 0 | 112.3 | T415 T438 V465 | T415-Q440 WeakPolarHBondContact CG2-O 3.5Å; T438-Q440 PolarHBondContact O-N 3.45Å; Q440-V465 WeakPolarHBondContact CB-O 3.48Å; Q440-V465 PolarHBondContact N-O 2.93Å; Q440-V465 VanDerWaalsContact N-O 3.09Å | ||
| 441 | R | 95 | Very high | 90.1 | Very high | 96 Ų | 96 | 64.9 Ų | 64.9 | 36% | 0.362 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 143.2 | 178 | -156.5 | 172.9 | 75.6 | 174.7 | 4.2 | 111.2 | T415 V443 A452 V465 | T415-R441 WeakPolarHBondContact OG1-CA 3.5Å; R441-V443 HydrophobicContact CG-CG1 4.37Å; R441-V443 VanDerWaalsContact NE-CG1 3.32Å; R441-A452 HydrophobicContact CG-CB 4.4Å; R441-V465 HydrophobicContact CB-CB 3.93Å; R441-V465 HydrophobicContact CB-CG2 4.08Å; R441-V465 PolarHBondContact O-N 2.87Å |
| 442 | T | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135.6 | 165.9 | 36.8 | 0 | 0 | 0 | 0 | 109.3 | I413 T415 I439 I453 E454 L464 | I413-T442 HydrophobicContact CG2-CG2 4.22Å; T415-T442 PolarHBondContact OG1-N 2.83Å; T415-T442 VanDerWaalsContact OG1-N 3.12Å; T415-T442 PolarHBondContact OG1-OG1 3.02Å; I439-T442 HydrophobicContact CG2-CG2 4.26Å; T442-I453 PolarHBondContact O-N 2.84Å; T442-I453 VanDerWaalsContact O-N 3.13Å; T442-I453 PolarHBondContact OG1-O 3.26Å; T442-E454 PolarHBondContact OG1-O 2.76Å; T442-E454 VanDerWaalsContact OG1-O 3.11Å; T442-L464 HydrophobicContact CG2-CD2 3.69Å |
| 443 | V | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141.6 | -178.5 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | Y403 R441 M445 E451 C462 G463 V465 | Y403-V443 HydrophobicContact CD1-CG2 3.77Å; Y403-V443 HydrophobicContact CE1-CG1 4.41Å; Y403-V443 HydrophobicContact CE1-CG2 4.02Å; Y403-V443 HydrophobicContact CG-CG2 4.39Å; R441-V443 HydrophobicContact CG-CG1 4.37Å; R441-V443 VanDerWaalsContact NE-CG1 3.32Å; V443-M445 HydrophobicContact CG2-SD 4.05Å; V443-E451 CarbonylContact C-O 3.54Å; V443-E451 VanDerWaalsContact CA-O 3.26Å; V443-E451 WeakPolarHBondContact CA-O 3.27Å; V443-C462 WeakPolarHBondContact O-CB 3.45Å; V443-G463 VanDerWaalsContact CG2-O 3.3Å; V443-G463 WeakPolarHBondContact CG2-O 3.41Å; V443-G463 PolarHBondContact N-O 2.95Å; V443-G463 PolarHBondContact O-N 2.89Å; V443-V465 HydrophobicContact CG1-CG2 4.14Å |
| 444 | L | 90.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 131.2 | 167.8 | -176.2 | 68.8 | 0 | 0 | 0 | 109.7 | L9 M13 S76 M446 T450 E451 I453 | L9-L444 HydrophobicContact CD1-CD2 3.52Å; M13-L444 HydrophobicContact CE-CD1 3.67Å; S76-L444 WeakPolarHBondContact OG-CD1 3.19Å; L444-M446 HydrophobicContact CD2-CG 4.05Å; L444-M446 HydrophobicContact CD2-SD 3.78Å; L444-M446 HydrophobicContact CG-CG 4.19Å; L444-M446 HydrophobicContact CG-SD 4.08Å; L444-T450 VanDerWaalsContact O-CA 3.26Å; L444-T450 WeakPolarHBondContact O-CA 3.4Å; L444-E451 HydrophobicContact CB-CB 4.31Å; L444-E451 PolarHBondContact N-O 3.04Å; L444-E451 PolarHBondContact O-N 2.92Å; L444-I453 HydrophobicContact CB-CD1 4.21Å |
| 445 | M | 87.6 | Confident | 90.8 | Very high | 19 Ų | 19 | 59 Ų | 59 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 117.7 | 178.4 | -54.5 | -59.2 | -70 | 0 | 0 | 110.1 | A74 V394 Y403 F405 V443 T450 | A74-M445 HydrophobicContact CB-CB 4.1Å; V394-M445 HydrophobicContact CB-CE 4.43Å; V394-M445 HydrophobicContact CG1-CE 4.15Å; V394-M445 HydrophobicContact CG2-CE 4.49Å; Y403-M445 HydrophobicContact CD2-CE 4.2Å; F405-M445 HydrophobicContact CD2-CG 3.68Å; F405-M445 HydrophobicContact CE2-CB 4.46Å; F405-M445 HydrophobicContact CE2-CG 3.83Å; V443-M445 HydrophobicContact CG2-SD 4.05Å; M445-T450 HydrophobicContact CE-CG2 4.21Å; M445-T450 HydrophobicContact SD-CG2 3.95Å |
| 446 | M | 84.2 | Confident | 90.9 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 11% | 0.108 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 45.1 | -179.4 | -65.3 | -59.4 | -68.8 | 0 | 0 | 110.9 | F4 L9 I45 I75 L444 R448 S449 | F4-M446 HydrophobicContact CE2-CE 3.94Å; F4-M446 HydrophobicContact CZ-CE 3.7Å; L9-M446 HydrophobicContact CD1-SD 4.41Å; I45-M446 HydrophobicContact CD1-CE 4.14Å; I75-M446 HydrophobicContact CG2-CE 4.48Å; L444-M446 HydrophobicContact CD2-CG 4.05Å; L444-M446 HydrophobicContact CD2-SD 3.78Å; L444-M446 HydrophobicContact CG-CG 4.19Å; L444-M446 HydrophobicContact CG-SD 4.08Å; M446-R448 PolarHBondContact O-N 3.27Å; M446-S449 CarbonylContact C-O 3.51Å; M446-S449 WeakPolarHBondContact CA-O 3.39Å; M446-S449 WeakPolarHBondContact CB-O 3.43Å; M446-S449 PolarHBondContact N-O 3.2Å |
| 447 | G | 81 | Confident | 91 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | -96.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A74 | A74-G447 PolarHBondContact O-N 3.16Š|
| 448 | R | 75.3 | Confident | 91.1 | Very high | 146 Ų | 146 | 44.5 Ų | 44.5 | 55% | 0.551 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -22 | -177.4 | -63.2 | -177.4 | -172.7 | -166.2 | -1.7 | 113.6 | D58 T59 M446 | D58-R448 PolarHBondContact O-NH2 2.83Å; T59-R448 HydrophobicContact CG2-CG 3.52Å; M446-R448 PolarHBondContact O-N 3.27Å |
| 449 | S | 81.7 | Confident | 91.1 | Very high | 59 Ų | 59 | 41.4 Ų | 41.4 | 41% | 0.413 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 161.8 | 177.5 | 60.1 | 0 | 0 | 0 | 0 | 111 | M446 | M446-S449 CarbonylContact C-O 3.51Å; M446-S449 WeakPolarHBondContact CA-O 3.39Å; M446-S449 WeakPolarHBondContact CB-O 3.43Å; M446-S449 PolarHBondContact N-O 3.2Å |
| 450 | T | 85.1 | Confident | 91.1 | Very high | 38 Ų | 38 | 41.4 Ų | 41.4 | 23% | 0.233 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.3 | 172.5 | 63 | 0 | 0 | 0 | 0 | 109 | Y403 L444 M445 | Y403-T450 HydrophobicContact CD2-CG2 4.41Å; Y403-T450 HydrophobicContact CE2-CG2 3.78Å; L444-T450 VanDerWaalsContact O-CA 3.26Å; L444-T450 WeakPolarHBondContact O-CA 3.4Å; M445-T450 HydrophobicContact CE-CG2 4.21Å; M445-T450 HydrophobicContact SD-CG2 3.95Å |
| 451 | E | 88.8 | Confident | 91.2 | Very high | 83 Ų | 83 | 36.2 Ų | 36.2 | 39% | 0.388 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.8 | 174.9 | -63.8 | -60.8 | 154.6 | 0 | 0 | 109.4 | V6 V443 L444 | V6-E451 HydrophobicContact CG1-CB 4.3Å; V6-E451 HydrophobicContact CG2-CB 4.14Å; V6-E451 HydrophobicContact CG2-CG 3.84Å; V443-E451 CarbonylContact C-O 3.54Å; V443-E451 VanDerWaalsContact CA-O 3.26Å; V443-E451 WeakPolarHBondContact CA-O 3.27Å; L444-E451 HydrophobicContact CB-CB 4.31Å; L444-E451 PolarHBondContact N-O 3.04Å; L444-E451 PolarHBondContact O-N 2.92Å |
| 452 | A | 90.8 | Very high | 91.2 | Very high | 54 Ų | 54 | 31.7 Ų | 31.7 | 45% | 0.446 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 137.2 | 174 | 0 | 0 | 0 | 0 | 0 | 109.6 | R441 | R441-A452 HydrophobicContact CG-CB 4.4Å |
| 453 | I | 93.4 | Very high | 91.1 | Very high | 14 Ų | 14 | 31.7 Ų | 31.7 | 7% | 0.072 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 154.8 | 176 | 53.1 | -178.5 | 0 | 0 | 0 | 108.5 | V6 M13 T442 L444 V456 | V6-I453 HydrophobicContact CG1-CG2 3.92Å; M13-I453 HydrophobicContact CE-CD1 3.93Å; M13-I453 HydrophobicContact SD-CD1 4.32Å; T442-I453 PolarHBondContact O-N 2.84Å; T442-I453 VanDerWaalsContact O-N 3.13Å; T442-I453 PolarHBondContact OG1-O 3.26Å; L444-I453 HydrophobicContact CB-CD1 4.21Å; I453-V456 HydrophobicContact CD1-CG2 3.33Å; I453-V456 HydrophobicContact CG1-CG2 4.06Å |
| 454 | E | 93.5 | Very high | 91.3 | Very high | 160 Ų | 160 | 31.7 Ų | 31.7 | 75% | 0.748 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -73.8 | -41.9 | -174.4 | -64.7 | -171 | 163.7 | 0 | 0 | 112 | T415 T442 | T415-E454 WeakPolarHBondContact CB-O 3.35Å; T415-E454 PolarHBondContact N-O 2.71Å; T415-E454 PolarHBondContact OG1-O 3.4Å; T442-E454 PolarHBondContact OG1-O 2.76Å; T442-E454 VanDerWaalsContact OG1-O 3.11Å |
| 455 | D | 96.1 | Very high | 91.4 | Very high | 39 Ų | 39 | 33 Ų | 33 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 164.2 | -176.2 | 74.6 | 107.9 | 0 | 0 | 0 | 111.9 | R10 T412 I413 | R10-D455 WeakPolarHBondContact CD-O 3.22Å; R10-D455 IonicContact CZ-OD1 2.69Å; R10-D455 IonicContact CZ-OD2 3.47Å; R10-D455 PolarHBondContact NE-O 3.14Å; R10-D455 VanDerWaalsContact NE-O 3.11Å; R10-D455 IonicContact NE-OD1 3.63Å; R10-D455 IonicContact NE-OD2 2.82Å; R10-D455 PolarHBondContact NE-OD2 3.45Å; R10-D455 VanDerWaalsContact NE-OD2 3.16Å; R10-D455 IonicContact NH2-OD1 3.35Å; R10-D455 PolarHBondContact NH2-OD1 3.46Å; R10-D455 IonicContact NH2-OD2 3.1Å; R10-D455 PolarHBondContact NH2-OD2 3Å; T412-D455 HydrophobicContact CG2-CB 4.03Å; T412-D455 WeakPolarHBondContact CG2-OD1 3.32Å; I413-D455 CarbonylContact O-C 3.57Å; I413-D455 WeakPolarHBondContact O-CA 3.37Å; I413-D455 WeakPolarHBondContact O-CB 3.43Å |
| 456 | V | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 112.2 | -176.4 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | M13 V408 I413 I453 N460 C462 | M13-V456 HydrophobicContact SD-CG1 4.25Å; M13-V456 HydrophobicContact SD-CG2 4.5Å; V408-V456 HydrophobicContact CG2-CG1 4.16Å; I413-V456 HydrophobicContact CG2-CB 3.91Å; I413-V456 PolarHBondContact N-O 3.16Å; I413-V456 PolarHBondContact O-N 3.14Å; I453-V456 HydrophobicContact CD1-CG2 3.33Å; I453-V456 HydrophobicContact CG1-CG2 4.06Å; V456-N460 HydrophobicContact CG1-CB 3.59Å; V456-C462 HydrophobicContact CB-CB 4.35Å; V456-C462 HydrophobicContact CG1-CB 4.09Å; V456-C462 HydrophobicContact CG2-CB 3.76Å |
| 457 | P | 97.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 159 | 176.3 | 31.4 | -36.2 | 0 | 0 | 0 | 111.6 | M13 N460 | M13-P457 HydrophobicContact CB-CG 3.7Å; M13-P457 WeakPolarHBondContact O-CG 3.19Å; P457-N460 WeakPolarHBondContact O-CB 3.29Å; P457-N460 PolarHBondContact O-ND2 3.19Å |
| 458 | C | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 151.6 | 176.3 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | K16 C380 D381 V408 F409 S410 G411 | K16-C458 WeakPolarHBondContact CD-O 3.32Å; C380-C458 PolarHBondContact O-SG 3.29Å; D381-C458 PolarHBondContact O-SG 3.04Å; D381-C458 VanDerWaalsContact O-SG 3.36Å; V408-C458 HydrophobicContact CG1-CB 4.02Å; V408-C458 CarbonylContact O-C 3.45Å; V408-C458 WeakPolarHBondContact O-CA 3.14Å; F409-C458 WeakPolarHBondContact O-CB 3.48Å; S410-C458 VanDerWaalsContact CA-CB 3.42Å; G411-C458 VanDerWaalsContact O-CB 3.3Å; G411-C458 WeakPolarHBondContact O-CB 3.44Å; G411-C458 PolarHBondContact O-N 2.94Å |
| 459 | G | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -3.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N21 P353 V408 | N21-G459 PolarHBondContact ND2-O 3.47Å; P353-G459 VanDerWaalsContact CB-CA 3.44Å; V408-G459 PolarHBondContact O-N 3.23Å |
| 460 | N | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -112.6 | 158.1 | -179.6 | -66.9 | -83.6 | 0 | 0 | 0 | 112.7 | M13 I19 L108 V408 V456 P457 | M13-N460 WeakPolarHBondContact CG-OD1 3.4Å; M13-N460 PolarHBondContact O-ND2 2.81Å; M13-N460 VanDerWaalsContact O-ND2 3.1Å; I19-N460 WeakPolarHBondContact CD1-ND2 3.25Å; I19-N460 WeakPolarHBondContact CD1-OD1 3.2Å; L108-N460 WeakPolarHBondContact CD2-OD1 3.36Å; V408-N460 PolarHBondContact N-O 2.85Å; V456-N460 HydrophobicContact CG1-CB 3.59Å; P457-N460 WeakPolarHBondContact O-CB 3.29Å; P457-N460 PolarHBondContact O-ND2 3.19Å | ||
| 461 | I | 96.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 146.1 | 169.1 | 59.7 | 167 | 0 | 0 | 0 | 110.3 | A74 N110 I112 V130 F405 G406 R407 | A74-I461 HydrophobicContact CB-CD1 4.14Å; N110-I461 HydrophobicContact CB-CD1 3.71Å; N110-I461 HydrophobicContact CB-CG1 3.81Å; I112-I461 HydrophobicContact CD1-CD1 4.42Å; I112-I461 HydrophobicContact CG1-CD1 4.41Å; V130-I461 HydrophobicContact CB-CG2 4.11Å; V130-I461 HydrophobicContact CG2-CG2 4.39Å; F405-I461 HydrophobicContact CE2-CB 4.22Å; F405-I461 HydrophobicContact CE2-CD1 4.04Å; F405-I461 HydrophobicContact CE2-CG1 4.49Å; F405-I461 HydrophobicContact CZ-CB 4.25Å; F405-I461 HydrophobicContact CZ-CD1 3.82Å; G406-I461 CarbonylContact O-C 3.51Å; G406-I461 VanDerWaalsContact O-CA 3.26Å; G406-I461 WeakPolarHBondContact O-CA 2.86Å; R407-I461 HydrophobicContact CB-CG2 4.15Å |
| 462 | C | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 166.8 | 174.6 | 63.3 | 0 | 0 | 0 | 0 | 112 | M388 G406 V443 V456 | M388-C462 VanDerWaalsContact CE-SG 3.55Å; G406-C462 PolarHBondContact N-O 3.15Å; G406-C462 PolarHBondContact O-N 3.49Å; V443-C462 WeakPolarHBondContact O-CB 3.45Å; V456-C462 HydrophobicContact CB-CB 4.35Å; V456-C462 HydrophobicContact CG1-CB 4.09Å; V456-C462 HydrophobicContact CG2-CB 3.76Å |
| 463 | G | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 144.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A404 V443 | A404-G463 CarbonylContact O-C 3.54Å; A404-G463 WeakPolarHBondContact O-CA 3.42Å; V443-G463 VanDerWaalsContact CG2-O 3.3Å; V443-G463 WeakPolarHBondContact CG2-O 3.41Å; V443-G463 PolarHBondContact N-O 2.95Å; V443-G463 PolarHBondContact O-N 2.89Å |
| 464 | L | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 141.5 | 171.3 | -52.8 | -179.8 | 0 | 0 | 0 | 111.1 | M388 I390 Y403 A404 I413 I439 T442 V467 I477 | M388-L464 HydrophobicContact CE-CD1 4.04Å; M388-L464 HydrophobicContact CE-CD2 4.31Å; M388-L464 HydrophobicContact CE-CG 3.9Å; M388-L464 HydrophobicContact SD-CD1 3.66Å; M388-L464 HydrophobicContact SD-CD2 4.29Å; M388-L464 HydrophobicContact SD-CG 4.08Å; I390-L464 HydrophobicContact CD1-CD1 4.3Å; Y403-L464 WeakPolarHBondContact CA-O 3.39Å; A404-L464 HydrophobicContact CB-CB 4.33Å; A404-L464 PolarHBondContact N-O 2.77Å; A404-L464 PolarHBondContact O-N 3.44Å; I413-L464 HydrophobicContact CD1-CD1 3.57Å; I413-L464 HydrophobicContact CD1-CD2 3.83Å; I413-L464 HydrophobicContact CD1-CG 4.33Å; I413-L464 HydrophobicContact CG1-CD2 4.37Å; I413-L464 HydrophobicContact CG2-CD2 4.41Å; I439-L464 HydrophobicContact CD1-CD1 3.87Å; I439-L464 HydrophobicContact CG2-CD2 4.19Å; T442-L464 HydrophobicContact CG2-CD2 3.69Å; L464-V467 HydrophobicContact CB-CG2 3.88Å; L464-V467 HydrophobicContact CD1-CG2 4.34Å; L464-I477 HydrophobicContact CD1-CD1 3.38Å |
| 465 | V | 93.9 | Very high | 93.1 | Very high | 31 Ų | 31 | 19.6 Ų | 19.6 | 19% | 0.188 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 140.6 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | Y403 Q440 R441 V443 | Y403-V465 HydrophobicContact CD1-CG2 3.61Å; Y403-V465 HydrophobicContact CE1-CG2 3.55Å; Q440-V465 WeakPolarHBondContact CB-O 3.48Å; Q440-V465 PolarHBondContact N-O 2.93Å; Q440-V465 VanDerWaalsContact N-O 3.09Å; R441-V465 HydrophobicContact CB-CB 3.93Å; R441-V465 HydrophobicContact CB-CG2 4.08Å; R441-V465 PolarHBondContact O-N 2.87Å; V443-V465 HydrophobicContact CG1-CG2 4.14Å |
| 466 | G | 91.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 17.8 Ų | 17.8 | 8% | 0.082 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 92.5 | 1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 467 | V | 93.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -106 | -4.5 | 176.5 | -63.2 | 0 | 0 | 0 | 0 | 113.5 | A404 I421 I439 L464 Q469 F470 I471 I477 | A404-V467 HydrophobicContact CB-CG2 3.59Å; I421-V467 HydrophobicContact CD1-CB 3.82Å; I421-V467 HydrophobicContact CD1-CG1 3.7Å; I439-V467 HydrophobicContact CD1-CG1 3.38Å; L464-V467 HydrophobicContact CB-CG2 3.88Å; L464-V467 HydrophobicContact CD1-CG2 4.34Å; V467-Q469 PolarHBondContact O-N 3.26Å; V467-Q469 VanDerWaalsContact O-N 3.16Å; V467-F470 PolarHBondContact O-N 3.47Å; V467-I471 HydrophobicContact CB-CD1 4.42Å; V467-I471 HydrophobicContact CG2-CD1 4.19Å; V467-I477 HydrophobicContact CG2-CD1 4.45Å | ||
| 468 | D | 90.1 | Very high | 93 | Very high | 5 Ų | 5 | 17.8 Ų | 17.8 | 3% | 0.027 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.3 | -173.9 | 60.6 | -46.1 | 0 | 0 | 0 | 115.1 | M393 R401 F402 F470 K521 | M393-D468 HydrophobicContact CE-CB 3.49Å; M393-D468 VanDerWaalsContact CE-CB 3.49Å; R401-D468 IonicContact NH1-OD1 3.16Å; F402-D468 HydrophobicContact CB-CB 3.96Å; F402-D468 PolarHBondContact N-OD2 2.84Å; F402-D468 WeakPolarHBondContact O-CB 3.47Å; D468-F470 VanDerWaalsContact C-N 3.32Å; D468-K521 PolarHBondContact O-NZ 3.11Å |
| 469 | Q | 88.8 | Confident | 93 | Very high | 123 Ų | 123 | 20.6 Ų | 20.6 | 58% | 0.575 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -22.8 | 175.7 | -63.2 | -179 | -3.3 | 0 | 0 | 112.7 | V467 | V467-Q469 PolarHBondContact O-N 3.26Å; V467-Q469 VanDerWaalsContact O-N 3.16Å |
| 470 | F | 91 | Very high | 92.9 | Very high | 41 Ų | 41 | 22.7 Ų | 22.7 | 18% | 0.18 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -105 | -4.5 | -173.7 | -48.5 | -70.3 | 0 | 0 | 0 | 113.2 | I421 Y435 K437 V467 D468 | I421-F470 HydrophobicContact CD1-CB 4.11Å; I421-F470 HydrophobicContact CD1-CD2 4.05Å; I421-F470 HydrophobicContact CD1-CG 4.38Å; I421-F470 HydrophobicContact CG2-CB 4.38Å; Y435-F470 AromaticContact CD1-CD1 3.75Å; Y435-F470 HydrophobicContact CD1-CD1 3.75Å; Y435-F470 HydrophobicContact CD1-CE1 4.5Å; Y435-F470 HydrophobicContact CD2-CB 3.94Å; Y435-F470 HydrophobicContact CE1-CD1 4.28Å; Y435-F470 HydrophobicContact CE2-CB 4.46Å; Y435-F470 HydrophobicContact CG-CB 4.02Å; Y435-F470 AromaticContact CG-CD1 3.91Å; Y435-F470 HydrophobicContact CG-CD1 3.91Å; Y435-F470 HydrophobicContact CG-CG 4.23Å; K437-F470 HydrophobicContact CB-CE2 4.35Å; K437-F470 HydrophobicContact CD-CD2 4.34Å; K437-F470 HydrophobicContact CD-CE1 4.08Å; K437-F470 HydrophobicContact CD-CE2 3.66Å; K437-F470 HydrophobicContact CD-CZ 3.51Å; K437-F470 VanDerWaalsContact CE-CE1 3.44Å; K437-F470 HydrophobicContact CG-CD1 4.47Å; K437-F470 HydrophobicContact CG-CD2 3.76Å; K437-F470 HydrophobicContact CG-CE1 4.31Å; K437-F470 HydrophobicContact CG-CE2 3.56Å; K437-F470 HydrophobicContact CG-CG 4.23Å; K437-F470 HydrophobicContact CG-CZ 3.87Å; V467-F470 PolarHBondContact O-N 3.47Å; D468-F470 VanDerWaalsContact C-N 3.32Å |
| 471 | I | 90 | Very high | 92.7 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | trans | -120.6 | 126.1 | -176.2 | -58.5 | -178.3 | 0 | 0 | 0 | 109 | I390 M393 A404 I421 V467 T474 I477 | I390-I471 HydrophobicContact CB-CD1 4.38Å; I390-I471 HydrophobicContact CG1-CD1 3.71Å; I390-I471 HydrophobicContact CG2-CG2 4.21Å; M393-I471 HydrophobicContact SD-CB 4.3Å; M393-I471 HydrophobicContact SD-CG2 3.96Å; A404-I471 HydrophobicContact CB-CD1 4.4Å; I421-I471 HydrophobicContact CG2-CD1 3.78Å; I421-I471 HydrophobicContact CG2-CG1 3.51Å; V467-I471 HydrophobicContact CB-CD1 4.42Å; V467-I471 HydrophobicContact CG2-CD1 4.19Å; I471-T474 WeakPolarHBondContact CG2-O 3.47Å; I471-I477 HydrophobicContact CD1-CD1 4.06Å; I471-I477 HydrophobicContact CD1-CG1 4.37Å | ||
| 472 | V | 82.2 | Confident | 92.3 | Very high | 89 Ų | 89 | 27.2 Ų | 27.2 | 54% | 0.539 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -109.3 | 103.8 | 172.4 | -176.2 | 0 | 0 | 0 | 0 | 107.2 | T474 | V472-T474 PolarHBondContact O-N 2.73Š|
| 473 | K | 85.3 | Confident | 92.1 | Very high | 45 Ų | 45 | 27.4 Ų | 27.4 | 20% | 0.196 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 68 | -59.9 | -177.4 | -56 | 175.5 | 170.3 | -168.7 | 0 | 115.1 | K392 A520 D523 P524 V526 | K392-K473 WeakPolarHBondContact CA-O 3.43Å; K473-A520 WeakPolarHBondContact CE-O 3.5Å; K473-A520 WeakPolarHBondContact CG-O 3.43Å; K473-D523 WeakPolarHBondContact CE-O 3.46Å; K473-P524 PolarHBondContact NZ-O 2.9Å; K473-V526 PolarHBondContact NZ-O 2.73Å |
| 474 | T | 90.2 | Very high | 92 | Very high | 17 Ų | 17 | 29.7 Ų | 29.7 | 10% | 0.104 | 18% | 0.175 | C | C | . | . | trans | -137.6 | 159.8 | -174.2 | 64.1 | 0 | 0 | 0 | 0 | 111.2 | I390 I471 V472 M489 | I390-T474 VanDerWaalsContact O-CA 3.27Å; I390-T474 WeakPolarHBondContact O-CA 3.34Å; I390-T474 WeakPolarHBondContact O-CB 3.37Å; I471-T474 WeakPolarHBondContact CG2-O 3.47Å; V472-T474 PolarHBondContact O-N 2.73Å; T474-M489 HydrophobicContact CG2-CE 3.45Å; T474-M489 VanDerWaalsContact CG2-CE 3.45Å | ||
| 475 | G | 92.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 30 Ų | 30 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | 161.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I390 T422 | I390-G475 PolarHBondContact N-O 3.41Å; I390-G475 PolarHBondContact O-N 2.96Å; T422-G475 WeakPolarHBondContact O-CA 3.44Å |
| 476 | T | 96.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132 | 173.8 | -56.2 | 0 | 0 | 0 | 0 | 108.9 | M387 M388 I421 T422 L486 | M387-T476 HydrophobicContact CE-CG2 4.02Å; M388-T476 WeakPolarHBondContact O-CA 3.24Å; I421-T476 WeakPolarHBondContact CA-O 3.32Å; T422-T476 PolarHBondContact N-O 3.01Å; T422-T476 PolarHBondContact O-N 3.37Å; T422-T476 WeakPolarHBondContact OG1-CB 3.19Å; T422-T476 PolarHBondContact OG1-O 3.49Å; T476-L486 HydrophobicContact CG2-CD1 4.11Å; T476-L486 HydrophobicContact CG2-CG 4.03Å; T476-L486 PolarHBondContact OG1-N 2.84Å |
| 477 | I | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.7 | 176.7 | -61.4 | -179.8 | 0 | 0 | 0 | 108.1 | M388 I390 I413 V419 R420 I421 L464 V467 I471 | M388-I477 HydrophobicContact CB-CB 4.19Å; M388-I477 PolarHBondContact N-O 3.02Å; M388-I477 PolarHBondContact O-N 3.11Å; I390-I477 HydrophobicContact CD1-CD1 3.81Å; I390-I477 HydrophobicContact CG1-CD1 3.75Å; I390-I477 HydrophobicContact CG1-CG1 4.22Å; I413-I477 HydrophobicContact CD1-CG2 4.18Å; V419-I477 HydrophobicContact CB-CG2 3.74Å; V419-I477 HydrophobicContact CG1-CG2 4.06Å; V419-I477 HydrophobicContact CG2-CG2 3.71Å; R420-I477 CarbonylContact O-C 3.58Å; R420-I477 VanDerWaalsContact O-CA 3.32Å; R420-I477 WeakPolarHBondContact O-CA 3.25Å; I421-I477 HydrophobicContact CG1-CG1 4.32Å; L464-I477 HydrophobicContact CD1-CD1 3.38Å; V467-I477 HydrophobicContact CG2-CD1 4.45Å; I471-I477 HydrophobicContact CD1-CD1 4.06Å; I471-I477 HydrophobicContact CD1-CG1 4.37Å |
| 478 | T | 97.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 154.8 | -174 | -176.6 | 0 | 0 | 0 | 0 | 114.3 | V386 M387 R420 F480 A483 | V386-T478 WeakPolarHBondContact O-CA 2.92Å; V386-T478 VanDerWaalsContact O-CB 3.31Å; V386-T478 WeakPolarHBondContact O-CB 3.07Å; V386-T478 PolarHBondContact O-OG1 2.68Å; M387-T478 VanDerWaalsContact SD-CB 3.57Å; M387-T478 PolarHBondContact SD-OG1 3.13Å; R420-T478 HydrophobicContact CB-CG2 3.97Å; R420-T478 WeakPolarHBondContact CB-O 3.33Å; R420-T478 PolarHBondContact N-O 3.23Å; R420-T478 PolarHBondContact O-N 3.31Å; T478-F480 PolarHBondContact OG1-N 3.23Å; T478-A483 HydrophobicContact CG2-CB 3.66Å |
| 479 | T | 97 | Very high | 90.7 | Very high | 58 Ų | 58 | 37.9 Ų | 37.9 | 36% | 0.356 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -99.2 | -7.1 | 166 | 55.6 | 0 | 0 | 0 | 0 | 113 | V386 V419 | V386-T479 HydrophobicContact CB-CG2 3.94Å; V386-T479 HydrophobicContact CG2-CG2 3.89Å; V386-T479 PolarHBondContact N-OG1 3.44Å; V386-T479 PolarHBondContact O-N 3.12Å; V419-T479 HydrophobicContact CG1-CG2 4.24Å |
| 480 | F | 95.1 | Very high | 89.8 | Confident | 44 Ų | 44 | 38.6 Ų | 38.6 | 19% | 0.193 | 21% | 0.209 | C | C | . | . | trans | -87.8 | 121.6 | -178.9 | 178.3 | -130.9 | 0 | 0 | 0 | 111 | D371 E372 A373 P385 T478 G482 A483 | D371-F480 HydrophobicContact CB-CE1 4.39Å; E372-F480 HydrophobicContact CB-CE2 4.22Å; E372-F480 HydrophobicContact CB-CZ 4.3Å; A373-F480 HydrophobicContact CB-CD1 3.67Å; A373-F480 HydrophobicContact CB-CE1 4.21Å; A373-F480 HydrophobicContact CB-CG 4.49Å; P385-F480 HydrophobicContact CB-CB 3.71Å; P385-F480 HydrophobicContact CG-CB 4.33Å; T478-F480 PolarHBondContact OG1-N 3.23Å; F480-G482 VanDerWaalsContact C-N 3.29Å; F480-G482 PolarHBondContact O-N 3.45Å; F480-A483 HydrophobicContact CB-CB 4.16Å; F480-A483 VanDerWaalsContact CD1-CA 3.5Å; F480-A483 HydrophobicContact CD1-CB 3.76Å; F480-A483 HydrophobicContact CG-CB 4.36Å; F480-A483 VanDerWaalsContact O-CB 3.27Å; F480-A483 WeakPolarHBondContact O-CB 3.45Å; F480-A483 PolarHBondContact O-N 3.39Å | ||
| 481 | A | 91.1 | Very high | 88.7 | Confident | 62 Ų | 62 | 40.2 Ų | 40.2 | 51% | 0.512 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -29.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R420 A483 | R420-A481 PolarHBondContact NH2-O 2.81Å; A481-A483 VanDerWaalsContact C-N 3.31Å |
| 482 | G | 89.4 | Confident | 87.4 | Confident | 39 Ų | 39 | 42.7 Ų | 42.7 | 40% | 0.402 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F480 H484 | F480-G482 VanDerWaalsContact C-N 3.29Å; F480-G482 PolarHBondContact O-N 3.45Å; G482-H484 PolarHBondContact O-ND1 3.4Å |
| 483 | A | 89.9 | Confident | 86.8 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 142.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M387 T478 F480 A481 | M387-A483 HydrophobicContact CE-CB 4.26Å; M387-A483 HydrophobicContact SD-CB 4.02Å; T478-A483 HydrophobicContact CG2-CB 3.66Å; F480-A483 HydrophobicContact CB-CB 4.16Å; F480-A483 VanDerWaalsContact CD1-CA 3.5Å; F480-A483 HydrophobicContact CD1-CB 3.76Å; F480-A483 HydrophobicContact CG-CB 4.36Å; F480-A483 VanDerWaalsContact O-CB 3.27Å; F480-A483 WeakPolarHBondContact O-CB 3.45Å; F480-A483 PolarHBondContact O-N 3.39Å; A481-A483 VanDerWaalsContact C-N 3.31Å |
| 484 | H | 93.5 | Very high | 86.4 | Confident | 48 Ų | 48 | 39.3 Ų | 39.3 | 22% | 0.222 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -94.8 | 171.1 | 166.4 | -65.7 | 61.2 | 0 | 0 | 0 | 110.2 | Y365 E366 P428 G482 | Y365-H484 HydrophobicContact CE2-CB 3.82Å; Y365-H484 WeakPolarHBondContact CE2-O 3.4Å; Y365-H484 PolarHBondContact OH-N 3.32Å; E366-H484 HydrophobicContact CB-CB 4.4Å; P428-H484 WeakPolarHBondContact CG-CD2 3.46Å; P428-H484 WeakPolarHBondContact CG-NE2 3.41Å; G482-H484 PolarHBondContact O-ND1 3.4Å |
| 485 | N | 93.4 | Very high | 86 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 150.7 | 175.4 | -84.5 | -13 | 0 | 0 | 0 | 111.3 | E366 T422 G423 | E366-N485 WeakPolarHBondContact CB-O 3.28Å; E366-N485 WeakPolarHBondContact CG-O 3.39Å; E366-N485 PolarHBondContact N-O 2.93Å; E366-N485 VanDerWaalsContact N-O 3.07Å; T422-N485 VanDerWaalsContact CB-OD1 3.25Å; T422-N485 WeakPolarHBondContact CB-OD1 3.35Å; T422-N485 PolarHBondContact OG1-OD1 2.9Å; G423-N485 PolarHBondContact O-ND2 3.01Å |
| 486 | L | 93 | Very high | 85.5 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -77.3 | 133.5 | 157.3 | -65.3 | 168.2 | 0 | 0 | 0 | 108 | L364 Y365 M377 Y389 F409 T476 | L364-L486 HydrophobicContact CB-CD2 4.28Å; L364-L486 CarbonylContact O-C 3.55Å; L364-L486 WeakPolarHBondContact O-CA 3.43Å; L364-L486 WeakPolarHBondContact O-CD2 3.44Å; Y365-L486 HydrophobicContact CD2-CD2 4.08Å; M377-L486 HydrophobicContact CE-CD2 3.36Å; M377-L486 HydrophobicContact SD-CD2 3.99Å; Y389-L486 HydrophobicContact CD2-CB 3.69Å; Y389-L486 HydrophobicContact CD2-CD1 4.15Å; Y389-L486 HydrophobicContact CE2-CB 4.23Å; Y389-L486 HydrophobicContact CG-CB 4.48Å; Y389-L486 HydrophobicContact CG-CD1 4.33Å; F409-L486 HydrophobicContact CD2-CD1 3.97Å; F409-L486 HydrophobicContact CE2-CD1 4.19Å; T476-L486 HydrophobicContact CG2-CD1 4.11Å; T476-L486 HydrophobicContact CG2-CG 4.03Å; T476-L486 PolarHBondContact OG1-N 2.84Å |
| 487 | K | 88.4 | Confident | 85.1 | Confident | 97 Ų | 97 | 39.1 Ų | 39.1 | 42% | 0.422 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -51.1 | 138.3 | -171.5 | -168.9 | 173.7 | -174.5 | 173.1 | 0 | 111.6 | R129 L364 E366 | R129-K487 PolarHBondContact NH1-O 2.65Å; L364-K487 PolarHBondContact O-N 2.69Å; E366-K487 HydrophobicContact CG-CB 4.18Å; E366-K487 WeakPolarHBondContact OE1-CA 3.22Å |
| 488 | Q | 83.2 | Confident | 84.7 | Confident | 92 Ų | 92 | 40.2 Ų | 40.2 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -65.4 | 154.3 | 175.7 | -62.2 | -175.4 | 22.9 | 0 | 0 | 112 | P424 | P424-Q488 HydrophobicContact CB-CG 4.3Å; P424-Q488 PolarHBondContact O-NE2 3.03Å |
| 489 | M | 79.1 | Confident | 84.5 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 133.9 | 172.2 | -67.9 | -179.8 | -74.8 | 0 | 0 | 109.8 | T125 A126 R129 Y389 S391 T474 F491 | T125-M489 HydrophobicContact CG2-CB 4.06Å; T125-M489 HydrophobicContact CG2-CG 4.12Å; T125-M489 HydrophobicContact CG2-SD 4.04Å; A126-M489 VanDerWaalsContact CA-SD 3.5Å; A126-M489 HydrophobicContact CB-CE 4.2Å; A126-M489 HydrophobicContact CB-SD 4.08Å; R129-M489 HydrophobicContact CB-SD 4.12Å; R129-M489 HydrophobicContact CG-CG 4.4Å; R129-M489 HydrophobicContact CG-SD 4.45Å; Y389-M489 HydrophobicContact CE1-CE 4.37Å; S391-M489 WeakPolarHBondContact O-CE 3.48Å; T474-M489 HydrophobicContact CG2-CE 3.45Å; T474-M489 VanDerWaalsContact CG2-CE 3.45Å; M489-F491 HydrophobicContact CB-CE1 4.38Å |
| 490 | K | 69.4 | Low | 84.1 | Confident | 137 Ų | 137 | 38.2 Ų | 38.2 | 60% | 0.596 | 21% | 0.211 | S | C | * | . | P | Polyproline II helix | trans | -91.4 | 125.8 | 165.3 | -72.1 | -171.1 | 172.6 | -170.8 | 0 | 108 | D611 | K490-D611 PolarHBondContact NZ-O 3.17Š|
| 491 | F | 68.9 | Low | 84.1 | Confident | 75 Ų | 75 | 36.3 Ų | 36.3 | 33% | 0.329 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -89.5 | 140.1 | 176.7 | -55.4 | -68.4 | 0 | 0 | 0 | 110.6 | M489 V493 P524 M525 | M489-F491 HydrophobicContact CB-CE1 4.38Å; F491-V493 PolarHBondContact O-N 3.33Å; F491-P524 HydrophobicContact CE1-CB 3.94Å; F491-P524 HydrophobicContact CZ-CB 3.81Å; F491-M525 HydrophobicContact CB-CE 3.28Å; F491-M525 HydrophobicContact CD1-CE 3.95Å; F491-M525 HydrophobicContact CD2-CE 3.88Å; F491-M525 HydrophobicContact CG-CE 3.44Å; F491-M525 VanDerWaalsContact CG-CE 3.44Å |
| 492 | S | 63 | Low | 84.1 | Confident | 54 Ų | 54 | 36.9 Ų | 36.9 | 38% | 0.378 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -77.8 | -7.6 | 177.6 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | Q154 | Q154-S492 PolarHBondContact NE2-OG 3.13Š|
| 493 | V | 69.4 | Low | 84.3 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -126.1 | 151.7 | -178.7 | -59.8 | 0 | 0 | 0 | 0 | 110.2 | V118 S121 F491 M525 A541 | V118-V493 HydrophobicContact CG2-CG1 3.93Å; S121-V493 WeakPolarHBondContact OG-CG1 3.34Å; S121-V493 VanDerWaalsContact OG-CG2 3.26Å; S121-V493 WeakPolarHBondContact OG-CG2 3.43Å; F491-V493 PolarHBondContact O-N 3.33Å; V493-M525 HydrophobicContact CG2-CE 3.42Å; V493-M525 VanDerWaalsContact CG2-CE 3.42Å; V493-M525 HydrophobicContact CG2-CG 4.45Å; V493-M525 HydrophobicContact CG2-SD 4.11Å; V493-M525 VanDerWaalsContact O-CE 3.24Å; V493-M525 WeakPolarHBondContact O-CE 3.36Å; V493-A541 HydrophobicContact CB-CB 4.41Å; V493-A541 HydrophobicContact CG2-CB 3.97Å |
| 494 | S | 75.6 | Confident | 84.5 | Confident | 54 Ų | 54 | 38.5 Ų | 38.5 | 38% | 0.378 | 20% | 0.199 | S | C | . | . | trans | -112.6 | 146 | 177.6 | -74.1 | 0 | 0 | 0 | 0 | 110.7 | V496 | S494-V496 PolarHBondContact O-N 3.1Š| ||
| 495 | P | 82.4 | Confident | 84.5 | Confident | 18 Ų | 18 | 40 Ų | 40 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | trans | -74.4 | 94.5 | 174.8 | 28.2 | -29.6 | 0 | 0 | 0 | 110 | Q527 A539 G540 | P495-Q527 VanDerWaalsContact CG-CD 3.42Å; P495-Q527 HydrophobicContact CG-CG 3.86Å; P495-Q527 VanDerWaalsContact CG-NE2 3.29Å; P495-A539 HydrophobicContact CB-CB 4.09Å; P495-G540 CarbonylContact C-O 3.46Å; P495-G540 WeakPolarHBondContact CA-O 3.2Å | ||
| 496 | V | 83.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -97.1 | -21.1 | -175.2 | -68.5 | 0 | 0 | 0 | 0 | 113.3 | S494 G540 A541 S570 P735 Y737 V782 F806 | S494-V496 PolarHBondContact O-N 3.1Å; V496-G540 PolarHBondContact N-O 3.22Å; V496-G540 VanDerWaalsContact N-O 3.09Å; V496-A541 WeakPolarHBondContact CG2-O 3.45Å; V496-S570 PolarHBondContact O-N 2.69Å; V496-S570 PolarHBondContact O-OG 2.82Å; V496-P735 HydrophobicContact CB-CB 4.38Å; V496-P735 HydrophobicContact CB-CG 4.37Å; V496-P735 HydrophobicContact CG1-CB 4.11Å; V496-Y737 HydrophobicContact CG2-CE1 4Å; V496-Y737 WeakPolarHBondContact CG2-OH 3.07Å; V496-V782 HydrophobicContact CG2-CG1 4.04Å; V496-V782 HydrophobicContact CG2-CG2 4.24Å; V496-F806 HydrophobicContact CG1-CD2 3.89Å; V496-F806 HydrophobicContact CG1-CE2 4.38Å; V496-F806 HydrophobicContact CG1-CG 4.29Å | ||
| 497 | V | 87.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 137.6 | 179 | -168.6 | 0 | 0 | 0 | 0 | 110 | A539 G540 L546 P567 V782 F786 | V497-A539 CarbonylContact O-C 3.57Å; V497-A539 WeakPolarHBondContact O-CA 3.37Å; V497-G540 PolarHBondContact N-O 2.83Å; V497-G540 VanDerWaalsContact N-O 3.12Å; V497-G540 PolarHBondContact O-N 2.86Å; V497-L546 HydrophobicContact CB-CD1 3.68Å; V497-L546 HydrophobicContact CG1-CD1 3.38Å; V497-P567 HydrophobicContact CG1-CB 3.77Å; V497-V782 HydrophobicContact CG2-CG1 3.95Å; V497-F786 HydrophobicContact CG1-CE1 3.61Å; V497-F786 HydrophobicContact CG1-CZ 3.84Å; V497-F786 HydrophobicContact CG2-CE1 4.22Å |
| 498 | R | 89.8 | Confident | 84.8 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 9% | 0.087 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.3 | 179.6 | -65.3 | 179.8 | -175 | 162.8 | 16.1 | 111.1 | I537 V538 A539 P567 V568 S570 E687 | R498-I537 HydrophobicContact CB-CG2 3.83Å; R498-I537 HydrophobicContact CG-CG2 3.99Å; R498-V538 CarbonylContact C-O 3.59Å; R498-V538 WeakPolarHBondContact CA-O 3.4Å; R498-A539 HydrophobicContact CG-CB 3.78Å; R498-P567 CarbonylContact O-C 3.01Å; R498-P567 WeakPolarHBondContact O-CA 3.33Å; R498-V568 HydrophobicContact CB-CG2 3.93Å; R498-V568 PolarHBondContact N-O 2.86Å; R498-V568 PolarHBondContact O-N 3.32Å; R498-S570 WeakPolarHBondContact CD-OG 3.28Å; R498-S570 WeakPolarHBondContact CG-OG 3.23Å; R498-S570 VanDerWaalsContact CZ-OG 3.23Å; R498-S570 PolarHBondContact NE-OG 3.29Å; R498-S570 PolarHBondContact NH2-OG 2.78Å; R498-E687 IonicContact CZ-OE2 3.56Å; R498-E687 IonicContact NH1-OE1 3.14Å; R498-E687 PolarHBondContact NH1-OE1 2.96Å; R498-E687 IonicContact NH1-OE2 2.78Å; R498-E687 PolarHBondContact NH1-OE2 2.55Å; R498-E687 IonicContact NH2-OE2 3.61Å; R498-E687 PolarHBondContact NH2-OE2 2.91Å |
| 499 | V | 92 | Very high | 85.3 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140 | 169.9 | -73.4 | 0 | 0 | 0 | 0 | 109.1 | V501 I537 V538 L546 L550 I564 P567 | V499-V501 HydrophobicContact CG2-CG2 4.28Å; V499-I537 WeakPolarHBondContact O-CA 3.5Å; V499-V538 HydrophobicContact CG2-CB 3.95Å; V499-V538 WeakPolarHBondContact CG2-O 3.4Å; V499-V538 PolarHBondContact N-O 3.37Å; V499-V538 PolarHBondContact O-N 2.98Å; V499-L546 HydrophobicContact CG1-CD1 4.07Å; V499-L546 HydrophobicContact CG2-CD1 4.23Å; V499-L546 HydrophobicContact CG2-CD2 4.1Å; V499-L550 HydrophobicContact CG2-CD1 4.06Å; V499-L550 HydrophobicContact CG2-CD2 3.9Å; V499-L550 HydrophobicContact CG2-CG 4.3Å; V499-I564 HydrophobicContact CB-CG2 4.16Å; V499-I564 HydrophobicContact CG1-CG2 4.35Å; V499-P567 HydrophobicContact CG1-CB 3.95Å |
| 500 | A | 90 | Very high | 86 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 12% | 0.116 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 136.2 | 167 | 0 | 0 | 0 | 0 | 0 | 109.3 | E535 H536 I537 I564 S565 | A500-E535 HydrophobicContact CB-CB 4.45Å; A500-H536 CarbonylContact C-O 3.57Å; A500-H536 WeakPolarHBondContact CA-O 3.39Å; A500-I537 HydrophobicContact CB-CD1 3.7Å; A500-I564 WeakPolarHBondContact O-CA 3.36Å; A500-S565 PolarHBondContact N-OG 3Å; A500-S565 PolarHBondContact O-N 3.29Å |
| 501 | V | 93.9 | Very high | 87.2 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.2 | -179.1 | -175.6 | 0 | 0 | 0 | 0 | 109 | V499 L512 H536 V538 L550 L553 L562 K563 | V499-V501 HydrophobicContact CG2-CG2 4.28Å; V501-L512 HydrophobicContact CG1-CD1 4.01Å; V501-H536 PolarHBondContact N-O 3.02Å; V501-V538 HydrophobicContact CG2-CB 4.41Å; V501-V538 HydrophobicContact CG2-CG2 3.75Å; V501-L550 HydrophobicContact CG2-CD2 3.46Å; V501-L550 VanDerWaalsContact CG2-CD2 3.46Å; V501-L553 HydrophobicContact CG1-CD2 3.92Å; V501-L562 HydrophobicContact CG1-CB 4.25Å; V501-L562 HydrophobicContact CG1-CD1 4Å; V501-L562 HydrophobicContact CG1-CD2 3.9Å; V501-L562 HydrophobicContact CG1-CG 4.28Å; V501-K563 WeakPolarHBondContact CA-O 3.48Å |
| 502 | D | 92.3 | Very high | 88.4 | Confident | 73 Ų | 73 | 41.6 Ų | 41.6 | 39% | 0.39 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 161.2 | 174.8 | -173.8 | 21.8 | 0 | 0 | 0 | 110.2 | L562 K563 | D502-L562 CarbonylContact O-C 3.56Å; D502-L562 WeakPolarHBondContact O-CA 3.46Å; D502-K563 HydrophobicContact CB-CB 4.32Å; D502-K563 PolarHBondContact N-O 3.02Å; D502-K563 PolarHBondContact O-N 3.45Å |
| 503 | C | 93.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 141.7 | 174.4 | 55.1 | 0 | 0 | 0 | 0 | 111 | N505 D508 L512 I560 K563 | C503-N505 VanDerWaalsContact C-N 3.32Å; C503-N505 WeakPolarHBondContact CB-O 3.39Å; C503-N505 PolarHBondContact SG-O 3.33Å; C503-D508 HydrophobicContact CB-CB 4.34Å; C503-L512 HydrophobicContact CB-CD2 4.38Å; C503-I560 HydrophobicContact CB-CD1 4.07Å; C503-K563 PolarHBondContact O-NZ 3.38Å |
| 504 | V | 93.9 | Very high | 90.9 | Very high | 74 Ų | 74 | 47.1 Ų | 47.1 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -64.8 | -44.8 | 172.2 | 174.6 | 0 | 0 | 0 | 0 | 109.8 | P561 K563 | V504-P561 HydrophobicContact CB-CB 4.02Å; V504-P561 HydrophobicContact CG2-CB 3.69Å; V504-P561 PolarHBondContact N-O 3Å; V504-P561 VanDerWaalsContact N-O 3.17Å; V504-K563 HydrophobicContact CG2-CG 3.94Å; V504-K563 PolarHBondContact O-NZ 3.41Å |
| 505 | N | 93.2 | Very high | 91.7 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -101.4 | 118.7 | 175 | 178.7 | 8.1 | 0 | 0 | 0 | 110.3 | C503 A507 D508 | C503-N505 VanDerWaalsContact C-N 3.32Å; C503-N505 WeakPolarHBondContact CB-O 3.39Å; C503-N505 PolarHBondContact SG-O 3.33Å; N505-A507 PolarHBondContact O-N 3.28Å; N505-A507 VanDerWaalsContact O-N 3.08Å; N505-A507 PolarHBondContact OD1-N 2.79Å; N505-D508 WeakPolarHBondContact O-CB 3.33Å; N505-D508 PolarHBondContact O-N 2.89Å |
| 506 | P | 91 | Very high | 92.3 | Very high | 101 Ų | 101 | 43.9 Ų | 43.9 | 66% | 0.656 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -54.9 | -27.7 | 178.7 | -27.7 | 35.7 | 0 | 0 | 0 | 115 | D508 L509 | P506-D508 PolarHBondContact O-N 2.89Å; P506-L509 WeakPolarHBondContact O-CB 3.38Å; P506-L509 PolarHBondContact O-N 2.69Å |
| 507 | A | 94.8 | Very high | 92.6 | Very high | 77 Ų | 77 | 49.1 Ų | 49.1 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -65.7 | -18.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N505 | N505-A507 PolarHBondContact O-N 3.28Å; N505-A507 VanDerWaalsContact O-N 3.08Å; N505-A507 PolarHBondContact OD1-N 2.79Å |
| 508 | D | 95.4 | Very high | 92.8 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 13% | 0.128 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -89.6 | 0.7 | 179.5 | -71.8 | -50.8 | 0 | 0 | 0 | 113.3 | C503 N505 P506 P510 K511 L512 I560 | C503-D508 HydrophobicContact CB-CB 4.34Å; N505-D508 WeakPolarHBondContact O-CB 3.33Å; N505-D508 PolarHBondContact O-N 2.89Å; P506-D508 PolarHBondContact O-N 2.89Å; D508-P510 VanDerWaalsContact C-CD 3.43Å; D508-P510 VanDerWaalsContact C-N 3.32Å; D508-K511 WeakPolarHBondContact O-CA 3.44Å; D508-K511 WeakPolarHBondContact O-CB 3.37Å; D508-K511 PolarHBondContact O-N 3.3Å; D508-K511 IonicContact OD1-NZ 2.67Å; D508-K511 PolarHBondContact OD1-NZ 3.49Å; D508-L512 PolarHBondContact O-N 2.88Å; D508-I560 HydrophobicContact CB-CB 4.36Å; D508-I560 HydrophobicContact CB-CD1 3.89Å; D508-I560 HydrophobicContact CB-CG2 3.88Å |
| 509 | L | 93.3 | Very high | 92.9 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -50.5 | -41.9 | 178.4 | -179 | 63.2 | 0 | 0 | 0 | 113.7 | P506 K511 L512 L513 | P506-L509 WeakPolarHBondContact O-CB 3.38Å; P506-L509 PolarHBondContact O-N 2.69Å; L509-K511 VanDerWaalsContact C-N 3.3Å; L509-K511 PolarHBondContact O-N 3Å; L509-L512 HydrophobicContact CD1-CD2 4.35Å; L509-L512 WeakPolarHBondContact O-CB 3.19Å; L509-L512 PolarHBondContact O-N 3.35Å; L509-L512 VanDerWaalsContact O-N 3.15Å; L509-L513 HydrophobicContact CD1-CG 4.42Å; L509-L513 HydrophobicContact CG-CD1 4.48Å; L509-L513 WeakPolarHBondContact O-CG 3.31Å; L509-L513 PolarHBondContact O-N 3.43Å |
| 510 | P | 94.4 | Very high | 92.8 | Very high | 90 Ų | 90 | 50.1 Ų | 50.1 | 58% | 0.584 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.1 | -37.9 | 175.4 | -24.5 | 35.6 | 0 | 0 | 0 | 113.4 | D508 L513 E514 | D508-P510 VanDerWaalsContact C-CD 3.43Å; D508-P510 VanDerWaalsContact C-N 3.32Å; P510-L513 PolarHBondContact O-N 3.37Å; P510-E514 PolarHBondContact O-N 3.13Å |
| 511 | K | 94 | Very high | 92.8 | Very high | 104 Ų | 104 | 51.7 Ų | 51.7 | 45% | 0.452 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.2 | -35 | 176.3 | -61.4 | 176.8 | -172.1 | 156.3 | 0 | 111.6 | D508 L509 G515 I560 | D508-K511 WeakPolarHBondContact O-CA 3.44Å; D508-K511 WeakPolarHBondContact O-CB 3.37Å; D508-K511 PolarHBondContact O-N 3.3Å; D508-K511 IonicContact OD1-NZ 2.67Å; D508-K511 PolarHBondContact OD1-NZ 3.49Å; L509-K511 VanDerWaalsContact C-N 3.3Å; L509-K511 PolarHBondContact O-N 3Å; K511-G515 PolarHBondContact O-N 3.49Å; K511-I560 HydrophobicContact CB-CG2 4.23Å; K511-I560 HydrophobicContact CD-CG2 3.75Å |
| 512 | L | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.5 | -49 | 173 | -179.7 | 57.9 | 0 | 0 | 0 | 110.7 | V501 C503 D508 L509 E514 G515 L516 L553 I560 L562 | V501-L512 HydrophobicContact CG1-CD1 4.01Å; C503-L512 HydrophobicContact CB-CD2 4.38Å; D508-L512 PolarHBondContact O-N 2.88Å; L509-L512 HydrophobicContact CD1-CD2 4.35Å; L509-L512 WeakPolarHBondContact O-CB 3.19Å; L509-L512 PolarHBondContact O-N 3.35Å; L509-L512 VanDerWaalsContact O-N 3.15Å; L512-E514 PolarHBondContact O-N 3.24Å; L512-G515 PolarHBondContact O-N 2.9Å; L512-L516 HydrophobicContact CD1-CD1 4.16Å; L512-L516 HydrophobicContact CD1-CG 4.06Å; L512-L516 HydrophobicContact CG-CD1 3.95Å; L512-L516 HydrophobicContact CG-CG 4.32Å; L512-L516 WeakPolarHBondContact O-CB 3.26Å; L512-L516 VanDerWaalsContact O-CG 3.27Å; L512-L516 WeakPolarHBondContact O-CG 3.48Å; L512-L516 PolarHBondContact O-N 3.23Å; L512-L553 HydrophobicContact CD1-CD2 4.16Å; L512-I560 HydrophobicContact CB-CD1 3.86Å; L512-L562 HydrophobicContact CD1-CD2 3.72Å |
| 513 | L | 92.9 | Very high | 92.2 | Very high | 72 Ų | 72 | 48.5 Ų | 48.5 | 38% | 0.377 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 178.9 | -66.9 | 176.6 | 0 | 0 | 0 | 112.1 | L509 P510 N517 H536 | L509-L513 HydrophobicContact CD1-CG 4.42Å; L509-L513 HydrophobicContact CG-CD1 4.48Å; L509-L513 WeakPolarHBondContact O-CG 3.31Å; L509-L513 PolarHBondContact O-N 3.43Å; P510-L513 PolarHBondContact O-N 3.37Å; L513-N517 PolarHBondContact O-N 3.49Å; L513-N517 PolarHBondContact O-ND2 2.94Å; L513-H536 WeakPolarHBondContact CD2-CE1 3.19Å |
| 514 | E | 91.7 | Very high | 91.7 | Very high | 108 Ų | 108 | 48.6 Ų | 48.6 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 173.1 | -172.1 | -174.4 | 163.7 | 0 | 0 | 111.2 | P510 L512 L516 N517 R518 | P510-E514 PolarHBondContact O-N 3.13Å; L512-E514 PolarHBondContact O-N 3.24Å; E514-L516 PolarHBondContact O-N 3.44Å; E514-N517 PolarHBondContact O-N 3.09Å; E514-R518 VanDerWaalsContact O-CG 3.31Å; E514-R518 WeakPolarHBondContact O-CG 3.11Å; E514-R518 PolarHBondContact O-N 3.46Å |
| 515 | G | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K511 L512 R518 L519 L553 H557 | K511-G515 PolarHBondContact O-N 3.49Å; L512-G515 PolarHBondContact O-N 2.9Å; G515-R518 WeakPolarHBondContact O-CB 3.38Å; G515-R518 PolarHBondContact O-N 2.93Å; G515-L519 WeakPolarHBondContact O-CB 3.45Å; G515-L519 PolarHBondContact O-N 3.5Å; G515-L553 WeakPolarHBondContact O-CD1 3.38Å; G515-H557 WeakPolarHBondContact O-CB 3.38Å |
| 516 | L | 94.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.8 | -51.1 | 172.7 | -76.1 | 171.7 | 0 | 0 | 0 | 110 | L512 E514 R518 L519 A520 I528 H536 V538 L553 | L512-L516 HydrophobicContact CD1-CD1 4.16Å; L512-L516 HydrophobicContact CD1-CG 4.06Å; L512-L516 HydrophobicContact CG-CD1 3.95Å; L512-L516 HydrophobicContact CG-CG 4.32Å; L512-L516 WeakPolarHBondContact O-CB 3.26Å; L512-L516 VanDerWaalsContact O-CG 3.27Å; L512-L516 WeakPolarHBondContact O-CG 3.48Å; L512-L516 PolarHBondContact O-N 3.23Å; E514-L516 PolarHBondContact O-N 3.44Å; L516-R518 PolarHBondContact O-N 3.43Å; L516-L519 WeakPolarHBondContact O-CB 3.43Å; L516-L519 PolarHBondContact O-N 3.02Å; L516-A520 PolarHBondContact O-N 2.62Å; L516-I528 VanDerWaalsContact C-CD1 3.47Å; L516-I528 HydrophobicContact CB-CD1 3.9Å; L516-I528 HydrophobicContact CB-CG2 4.1Å; L516-I528 HydrophobicContact CD1-CG2 4.42Å; L516-I528 HydrophobicContact CD2-CD1 3.9Å; L516-I528 HydrophobicContact CD2-CG2 4.11Å; L516-I528 HydrophobicContact CG-CG2 4.44Å; L516-I528 WeakPolarHBondContact O-CD1 3.42Å; L516-H536 HydrophobicContact CD1-CB 3.7Å; L516-V538 HydrophobicContact CD2-CG2 3.65Å; L516-L553 HydrophobicContact CD2-CD1 4.21Å; L516-L553 HydrophobicContact CD2-CD2 3.63Å; L516-L553 HydrophobicContact CG-CD1 4.3Å; L516-L553 HydrophobicContact CG-CD2 4.35Å |
| 517 | N | 90.6 | Very high | 91 | Very high | 109 Ų | 109 | 40.5 Ų | 40.5 | 58% | 0.583 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -56.3 | -37.1 | 175.9 | -76.6 | -44.5 | 0 | 0 | 0 | 112.7 | L513 E514 K521 | L513-N517 PolarHBondContact O-N 3.49Å; L513-N517 PolarHBondContact O-ND2 2.94Å; E514-N517 PolarHBondContact O-N 3.09Å; N517-K521 WeakPolarHBondContact O-CG 3.42Å; N517-K521 PolarHBondContact O-N 3.41Å |
| 518 | R | 89.9 | Confident | 90.9 | Very high | 28 Ų | 28 | 39 Ų | 39 | 11% | 0.106 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 174.3 | -71.1 | 177.2 | 67.9 | -159.5 | -5.1 | 112.1 | F402 E514 G515 L516 A520 K521 S522 D556 H557 | F402-R518 HydrophobicContact CE2-CB 4.31Å; F402-R518 HydrophobicContact CE2-CG 4.05Å; F402-R518 HydrophobicContact CZ-CB 3.9Å; F402-R518 HydrophobicContact CZ-CG 4.15Å; F402-R518 WeakPolarHBondContact CZ-O 3.34Å; E514-R518 VanDerWaalsContact O-CG 3.31Å; E514-R518 WeakPolarHBondContact O-CG 3.11Å; E514-R518 PolarHBondContact O-N 3.46Å; G515-R518 WeakPolarHBondContact O-CB 3.38Å; G515-R518 PolarHBondContact O-N 2.93Å; L516-R518 PolarHBondContact O-N 3.43Å; R518-A520 PolarHBondContact O-N 3.04Å; R518-K521 PolarHBondContact O-N 3.28Å; R518-K521 VanDerWaalsContact O-N 3.15Å; R518-S522 PolarHBondContact O-N 2.89Å; R518-D556 PolarHBondContact NH1-O 3.29Å; R518-D556 VanDerWaalsContact NH1-O 3.14Å; R518-D556 PolarHBondContact NH2-O 2.81Å; R518-D556 VanDerWaalsContact NH2-O 3.12Å; R518-H557 HydrophobicContact CB-CB 4.06Å; R518-H557 PolarHBondContact NH1-O 2.99Å |
| 519 | L | 92 | Very high | 90.5 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.4 | -48 | 176.5 | 180 | 65 | 0 | 0 | 0 | 110.9 | G515 L516 K521 S522 D523 V526 I528 V538 C549 D552 L553 | G515-L519 WeakPolarHBondContact O-CB 3.45Å; G515-L519 PolarHBondContact O-N 3.5Å; L516-L519 WeakPolarHBondContact O-CB 3.43Å; L516-L519 PolarHBondContact O-N 3.02Å; L519-K521 PolarHBondContact O-N 2.77Å; L519-S522 PolarHBondContact O-N 2.88Å; L519-S522 VanDerWaalsContact O-N 3.1Å; L519-S522 PolarHBondContact O-OG 2.79Å; L519-S522 VanDerWaalsContact O-OG 3.13Å; L519-D523 PolarHBondContact O-N 2.91Å; L519-D523 VanDerWaalsContact O-N 3.11Å; L519-V526 HydrophobicContact CD2-CG2 4.28Å; L519-V526 HydrophobicContact CG-CG1 4.23Å; L519-V526 HydrophobicContact CG-CG2 4.41Å; L519-I528 HydrophobicContact CB-CD1 4.04Å; L519-I528 HydrophobicContact CD2-CD1 4.15Å; L519-I528 HydrophobicContact CG-CD1 4.29Å; L519-V538 HydrophobicContact CD2-CG1 4Å; L519-V538 HydrophobicContact CD2-CG2 4.47Å; L519-C549 HydrophobicContact CD1-CB 3.94Å; L519-C549 HydrophobicContact CD2-CB 4.15Å; L519-D552 HydrophobicContact CD1-CB 4.46Å; L519-L553 HydrophobicContact CD2-CB 4.31Å; L519-L553 HydrophobicContact CD2-CD2 4.45Å |
| 520 | A | 90.6 | Very high | 90.1 | Very high | 20 Ų | 20 | 44 Ų | 44 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -27.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K473 L516 R518 I528 | K473-A520 WeakPolarHBondContact CE-O 3.5Å; K473-A520 WeakPolarHBondContact CG-O 3.43Å; L516-A520 PolarHBondContact O-N 2.62Å; R518-A520 PolarHBondContact O-N 3.04Å; A520-I528 HydrophobicContact CB-CB 4.49Å; A520-I528 HydrophobicContact CB-CD1 3.66Å; A520-I528 HydrophobicContact CB-CG1 4.13Å |
| 521 | K | 89.2 | Confident | 89.3 | Confident | 46 Ų | 46 | 41.9 Ų | 41.9 | 20% | 0.2 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -79.2 | -38.7 | 173.8 | -73.2 | -175.8 | 178.5 | -165.4 | 0 | 112.4 | M393 F402 D468 N517 R518 L519 | M393-K521 HydrophobicContact CB-CB 4.46Å; M393-K521 WeakPolarHBondContact CB-O 3.25Å; M393-K521 HydrophobicContact CG-CB 4.41Å; F402-K521 HydrophobicContact CE1-CB 4.3Å; F402-K521 HydrophobicContact CE2-CB 4.46Å; F402-K521 HydrophobicContact CE2-CD 4.34Å; F402-K521 HydrophobicContact CZ-CB 4.16Å; D468-K521 PolarHBondContact O-NZ 3.11Å; N517-K521 WeakPolarHBondContact O-CG 3.42Å; N517-K521 PolarHBondContact O-N 3.41Å; R518-K521 PolarHBondContact O-N 3.28Å; R518-K521 VanDerWaalsContact O-N 3.15Å; L519-K521 PolarHBondContact O-N 2.77Å |
| 522 | S | 87.1 | Confident | 88 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75.2 | -31.2 | -173.3 | 84.6 | 0 | 0 | 0 | 0 | 114 | K71 R518 L519 H557 | K71-S522 PolarHBondContact NZ-O 3.07Å; R518-S522 PolarHBondContact O-N 2.89Å; L519-S522 PolarHBondContact O-N 2.88Å; L519-S522 VanDerWaalsContact O-N 3.1Å; L519-S522 PolarHBondContact O-OG 2.79Å; L519-S522 VanDerWaalsContact O-OG 3.13Å; S522-H557 PolarHBondContact OG-NE2 3.17Å |
| 523 | D | 87.8 | Confident | 86.8 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | -112 | 118.9 | -177.2 | -164.1 | -72.3 | 0 | 0 | 0 | 110.7 | K71 K473 L519 M525 V526 H545 | K71-D523 IonicContact NZ-OD2 3.31Å; K71-D523 PolarHBondContact NZ-OD2 2.95Å; K473-D523 WeakPolarHBondContact CE-O 3.46Å; L519-D523 PolarHBondContact O-N 2.91Å; L519-D523 VanDerWaalsContact O-N 3.11Å; D523-M525 PolarHBondContact O-N 2.84Å; D523-M525 WeakPolarHBondContact OD1-CA 3.42Å; D523-M525 WeakPolarHBondContact OD1-CB 3.47Å; D523-M525 PolarHBondContact OD1-N 2.94Å; D523-V526 HydrophobicContact CB-CB 3.92Å; D523-V526 HydrophobicContact CB-CG1 3.69Å; D523-V526 PolarHBondContact OD1-N 2.91Å; D523-H545 IonicContact OD1-CE1 3.76Å; D523-H545 IonicContact OD1-NE2 3.43Å; D523-H545 PolarHBondContact OD1-NE2 3.36Å; D523-H545 IonicContact OD2-NE2 2.68Å | ||
| 524 | P | 82.7 | Confident | 86 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.032 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -62.5 | -29.4 | -178.4 | -21.6 | 31.9 | 0 | 0 | 0 | 113.4 | K473 F491 | K473-P524 PolarHBondContact NZ-O 2.9Å; F491-P524 HydrophobicContact CE1-CB 3.94Å; F491-P524 HydrophobicContact CZ-CB 3.81Å |
| 525 | M | 84.2 | Confident | 85.6 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.034 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -94.6 | -31.5 | -172.3 | 177.7 | 59.1 | 57.3 | 0 | 0 | 113.2 | F491 V493 D523 Q527 A541 | F491-M525 HydrophobicContact CB-CE 3.28Å; F491-M525 HydrophobicContact CD1-CE 3.95Å; F491-M525 HydrophobicContact CD2-CE 3.88Å; F491-M525 HydrophobicContact CG-CE 3.44Å; F491-M525 VanDerWaalsContact CG-CE 3.44Å; V493-M525 HydrophobicContact CG2-CE 3.42Å; V493-M525 VanDerWaalsContact CG2-CE 3.42Å; V493-M525 HydrophobicContact CG2-CG 4.45Å; V493-M525 HydrophobicContact CG2-SD 4.11Å; V493-M525 VanDerWaalsContact O-CE 3.24Å; V493-M525 WeakPolarHBondContact O-CE 3.36Å; D523-M525 PolarHBondContact O-N 2.84Å; D523-M525 WeakPolarHBondContact OD1-CA 3.42Å; D523-M525 WeakPolarHBondContact OD1-CB 3.47Å; D523-M525 PolarHBondContact OD1-N 2.94Å; M525-Q527 PolarHBondContact O-N 3.19Å; M525-A541 HydrophobicContact CG-CB 4.36Å |
| 526 | V | 90.7 | Very high | 85.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | trans | -57.8 | 135.3 | -177.8 | 81.3 | 0 | 0 | 0 | 0 | 111.2 | K473 L519 D523 V538 A539 | K473-V526 PolarHBondContact NZ-O 2.73Å; L519-V526 HydrophobicContact CD2-CG2 4.28Å; L519-V526 HydrophobicContact CG-CG1 4.23Å; L519-V526 HydrophobicContact CG-CG2 4.41Å; D523-V526 HydrophobicContact CB-CB 3.92Å; D523-V526 HydrophobicContact CB-CG1 3.69Å; D523-V526 PolarHBondContact OD1-N 2.91Å; V526-V538 HydrophobicContact CG2-CG1 3.58Å; V526-A539 WeakPolarHBondContact CA-O 3.15Å; V526-A539 WeakPolarHBondContact CG2-O 3.48Å | ||
| 527 | Q | 88.4 | Confident | 85.4 | Confident | 78 Ų | 78 | 43.3 Ų | 43.3 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135 | 169.9 | -63.1 | -176 | 3.5 | 0 | 0 | 109.3 | P495 M525 A539 | P495-Q527 VanDerWaalsContact CG-CD 3.42Å; P495-Q527 HydrophobicContact CG-CG 3.86Å; P495-Q527 VanDerWaalsContact CG-NE2 3.29Å; M525-Q527 PolarHBondContact O-N 3.19Å; Q527-A539 HydrophobicContact CB-CB 4.2Å; Q527-A539 PolarHBondContact N-O 3.09Å; Q527-A539 PolarHBondContact O-N 3.49Å |
| 528 | I | 91.4 | Very high | 85.6 | Confident | 46 Ų | 46 | 38.1 Ų | 38.1 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.7 | 175.7 | -60 | -177.9 | 0 | 0 | 0 | 107.6 | L516 L519 A520 I537 | L516-I528 VanDerWaalsContact C-CD1 3.47Å; L516-I528 HydrophobicContact CB-CD1 3.9Å; L516-I528 HydrophobicContact CB-CG2 4.1Å; L516-I528 HydrophobicContact CD1-CG2 4.42Å; L516-I528 HydrophobicContact CD2-CD1 3.9Å; L516-I528 HydrophobicContact CD2-CG2 4.11Å; L516-I528 HydrophobicContact CG-CG2 4.44Å; L516-I528 WeakPolarHBondContact O-CD1 3.42Å; L519-I528 HydrophobicContact CB-CD1 4.04Å; L519-I528 HydrophobicContact CD2-CD1 4.15Å; L519-I528 HydrophobicContact CG-CD1 4.29Å; A520-I528 HydrophobicContact CB-CB 4.49Å; A520-I528 HydrophobicContact CB-CD1 3.66Å; A520-I528 HydrophobicContact CB-CG1 4.13Å; I528-I537 WeakPolarHBondContact CA-O 3.39Å |
| 529 | K | 87 | Confident | 85.7 | Confident | 66 Ų | 66 | 37 Ų | 37 | 29% | 0.287 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.1 | -179.3 | -62.6 | -175.8 | -177.5 | 179.9 | 0 | 109.1 | I537 | K529-I537 PolarHBondContact N-O 2.83Å; K529-I537 PolarHBondContact O-N 2.78Å |
| 530 | M | 84.8 | Confident | 85.6 | Confident | 129 Ų | 129 | 36.9 Ų | 36.9 | 64% | 0.635 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.4 | 165.5 | -175.7 | 176.1 | 177.2 | 0 | 0 | 106.7 | E535 | M530-E535 WeakPolarHBondContact CA-O 3.39Å |
| 531 | E | 78.4 | Confident | 85.3 | Confident | 45 Ų | 45 | 36.2 Ų | 36.2 | 21% | 0.21 | 19% | 0.187 | C | C | . | . | trans | -79.9 | 162.3 | 176.1 | -65.6 | -76.5 | 173.9 | 0 | 0 | 110 | S533 G534 E535 I537 | E531-S533 PolarHBondContact O-N 3.4Å; E531-G534 PolarHBondContact O-N 2.9Å; E531-E535 PolarHBondContact N-O 2.92Å; E531-I537 HydrophobicContact CG-CD1 4.19Å; E531-I537 HydrophobicContact CG-CG1 3.42Å; E531-I537 VanDerWaalsContact CG-CG1 3.42Å | ||
| 532 | E | 66.6 | Low | 85.1 | Confident | 140 Ų | 140 | 34.1 Ų | 34.1 | 65% | 0.654 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.9 | 177.6 | -63.7 | -171.8 | 154.3 | 0 | 0 | 112.8 | G534 | E532-G534 PolarHBondContact O-N 3.4Š|
| 533 | S | 69.6 | Low | 84.9 | Confident | 46 Ų | 46 | 37.8 Ų | 37.8 | 32% | 0.322 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -14.1 | 172.6 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | E531 E535 | E531-S533 PolarHBondContact O-N 3.4Å; S533-E535 WeakPolarHBondContact OG-CG 3.24Å; S533-E535 PolarHBondContact OG-N 3.43Å |
| 534 | G | 75.2 | Confident | 84.8 | Confident | 33 Ų | 33 | 39.1 Ų | 39.1 | 34% | 0.34 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 88.7 | -2.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114 | E531 E532 | E531-G534 PolarHBondContact O-N 2.9Å; E532-G534 PolarHBondContact O-N 3.4Å |
| 535 | E | 84.4 | Confident | 85.1 | Confident | 72 Ų | 72 | 38.9 Ų | 38.9 | 34% | 0.336 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -70.2 | 136.6 | 177.2 | -67.3 | -177.5 | 157.6 | 0 | 0 | 111.6 | A500 M530 E531 S533 I537 | A500-E535 HydrophobicContact CB-CB 4.45Å; M530-E535 WeakPolarHBondContact CA-O 3.39Å; E531-E535 PolarHBondContact N-O 2.92Å; S533-E535 WeakPolarHBondContact OG-CG 3.24Å; S533-E535 PolarHBondContact OG-N 3.43Å; E535-I537 HydrophobicContact CB-CD1 4.22Å |
| 536 | H | 91.7 | Very high | 85.4 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 116 | 171.9 | -58.9 | -57.2 | 0 | 0 | 0 | 110.1 | A500 V501 L513 L516 | A500-H536 CarbonylContact C-O 3.57Å; A500-H536 WeakPolarHBondContact CA-O 3.39Å; V501-H536 PolarHBondContact N-O 3.02Å; L513-H536 WeakPolarHBondContact CD2-CE1 3.19Å; L516-H536 HydrophobicContact CD1-CB 3.7Å |
| 537 | I | 91.2 | Very high | 85.4 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130.4 | -178 | -55.8 | -56 | 0 | 0 | 0 | 110.2 | R498 V499 A500 I528 K529 E531 E535 | R498-I537 HydrophobicContact CB-CG2 3.83Å; R498-I537 HydrophobicContact CG-CG2 3.99Å; V499-I537 WeakPolarHBondContact O-CA 3.5Å; A500-I537 HydrophobicContact CB-CD1 3.7Å; I528-I537 WeakPolarHBondContact CA-O 3.39Å; K529-I537 PolarHBondContact N-O 2.83Å; K529-I537 PolarHBondContact O-N 2.78Å; E531-I537 HydrophobicContact CG-CD1 4.19Å; E531-I537 HydrophobicContact CG-CG1 3.42Å; E531-I537 VanDerWaalsContact CG-CG1 3.42Å; E535-I537 HydrophobicContact CB-CD1 4.22Å |
| 538 | V | 94.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.3 | 167.7 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | R498 V499 V501 L516 L519 V526 L546 | R498-V538 CarbonylContact C-O 3.59Å; R498-V538 WeakPolarHBondContact CA-O 3.4Å; V499-V538 HydrophobicContact CG2-CB 3.95Å; V499-V538 WeakPolarHBondContact CG2-O 3.4Å; V499-V538 PolarHBondContact N-O 3.37Å; V499-V538 PolarHBondContact O-N 2.98Å; V501-V538 HydrophobicContact CG2-CB 4.41Å; V501-V538 HydrophobicContact CG2-CG2 3.75Å; L516-V538 HydrophobicContact CD2-CG2 3.65Å; L519-V538 HydrophobicContact CD2-CG1 4Å; L519-V538 HydrophobicContact CD2-CG2 4.47Å; V526-V538 HydrophobicContact CG2-CG1 3.58Å; V538-L546 HydrophobicContact CB-CD2 4.47Å; V538-L546 HydrophobicContact CG1-CD2 3.88Å |
| 539 | A | 91.7 | Very high | 85.6 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P495 V497 R498 V526 Q527 | P495-A539 HydrophobicContact CB-CB 4.09Å; V497-A539 CarbonylContact O-C 3.57Å; V497-A539 WeakPolarHBondContact O-CA 3.37Å; R498-A539 HydrophobicContact CG-CB 3.78Å; V526-A539 WeakPolarHBondContact CA-O 3.15Å; V526-A539 WeakPolarHBondContact CG2-O 3.48Å; Q527-A539 HydrophobicContact CB-CB 4.2Å; Q527-A539 PolarHBondContact N-O 3.09Å; Q527-A539 PolarHBondContact O-N 3.49Å |
| 540 | G | 90.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 171.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P495 V496 V497 G542 | P495-G540 CarbonylContact C-O 3.46Å; P495-G540 WeakPolarHBondContact CA-O 3.2Å; V496-G540 PolarHBondContact N-O 3.22Å; V496-G540 VanDerWaalsContact N-O 3.09Å; V497-G540 PolarHBondContact N-O 2.83Å; V497-G540 VanDerWaalsContact N-O 3.12Å; V497-G540 PolarHBondContact O-N 2.86Å; G540-G542 VanDerWaalsContact C-N 3.31Å; G540-G542 PolarHBondContact O-N 2.82Å |
| 541 | A | 85 | Confident | 86.2 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 5% | 0.05 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -67 | -31.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V493 V496 M525 H545 Y737 | V493-A541 HydrophobicContact CB-CB 4.41Å; V493-A541 HydrophobicContact CG2-CB 3.97Å; V496-A541 WeakPolarHBondContact CG2-O 3.45Å; M525-A541 HydrophobicContact CG-CB 4.36Å; A541-H545 PolarHBondContact N-ND1 3.41Å; A541-Y737 PolarHBondContact O-OH 3.35Å |
| 542 | G | 84.2 | Confident | 86.8 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -162.8 | 179.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G540 H545 L546 Y737 | G540-G542 VanDerWaalsContact C-N 3.31Å; G540-G542 PolarHBondContact O-N 2.82Å; G542-H545 PolarHBondContact O-N 3.37Å; G542-L546 PolarHBondContact O-N 3.34Å; G542-L546 VanDerWaalsContact O-N 3.11Å; G542-Y737 WeakPolarHBondContact CA-OH 3.15Å |
| 543 | E | 84.2 | Confident | 88.1 | Confident | 82 Ų | 82 | 22.6 Ų | 22.6 | 38% | 0.383 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 179.2 | -175.7 | 178.3 | -175.4 | 0 | 0 | 111.6 | L546 E547 F786 G787 | E543-L546 PolarHBondContact O-N 3.34Å; E543-E547 WeakPolarHBondContact O-CB 3.34Å; E543-E547 PolarHBondContact O-N 3.47Å; E543-F786 HydrophobicContact CB-CD1 4.44Å; E543-F786 WeakPolarHBondContact OE2-CA 3.27Å; E543-G787 PolarHBondContact OE2-N 3.48Å |
| 544 | L | 84.9 | Confident | 89.3 | Confident | 32 Ų | 32 | 25.1 Ų | 25.1 | 17% | 0.168 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 179.5 | 172.9 | 64.5 | 0 | 0 | 0 | 111.5 | I68 H117 D119 F120 L546 E547 I548 | I68-L544 HydrophobicContact CD1-CD2 4.2Å; H117-L544 WeakPolarHBondContact NE2-CD2 3.43Å; D119-L544 WeakPolarHBondContact OD2-CB 3.46Å; F120-L544 HydrophobicContact CE2-CD2 4.13Å; F120-L544 HydrophobicContact CE2-CG 4.31Å; F120-L544 HydrophobicContact CZ-CG 4.26Å; L544-L546 PolarHBondContact O-N 2.81Å; L544-E547 PolarHBondContact O-N 3.38Å; L544-I548 HydrophobicContact CD1-CD1 3.91Å; L544-I548 HydrophobicContact CG-CD1 4.25Å; L544-I548 PolarHBondContact O-N 3.47Å |
| 545 | H | 89.1 | Confident | 90 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.2 | -52.1 | 174 | -173.6 | -177.4 | 0 | 0 | 0 | 111.2 | D119 F120 D523 A541 G542 E547 I548 C549 | D119-H545 HydrophobicContact CB-CB 3.97Å; D119-H545 PolarHBondContact OD2-N 3.02Å; F120-H545 HydrophobicContact CE1-CB 4.45Å; D523-H545 IonicContact OD1-CE1 3.76Å; D523-H545 IonicContact OD1-NE2 3.43Å; D523-H545 PolarHBondContact OD1-NE2 3.36Å; D523-H545 IonicContact OD2-NE2 2.68Å; A541-H545 PolarHBondContact N-ND1 3.41Å; G542-H545 PolarHBondContact O-N 3.37Å; H545-E547 VanDerWaalsContact C-N 3.35Å; H545-E547 PolarHBondContact O-N 2.86Å; H545-I548 PolarHBondContact O-N 2.92Å; H545-C549 PolarHBondContact CD2-SG 2.72Å; H545-C549 PolarHBondContact NE2-SG 2.93Å; H545-C549 PolarHBondContact O-N 2.87Å |
| 546 | L | 90.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | -179.6 | -78.5 | 179.3 | 0 | 0 | 0 | 112.4 | V497 V499 V538 G542 E543 L544 I548 C549 L550 | V497-L546 HydrophobicContact CB-CD1 3.68Å; V497-L546 HydrophobicContact CG1-CD1 3.38Å; V499-L546 HydrophobicContact CG1-CD1 4.07Å; V499-L546 HydrophobicContact CG2-CD1 4.23Å; V499-L546 HydrophobicContact CG2-CD2 4.1Å; V538-L546 HydrophobicContact CB-CD2 4.47Å; V538-L546 HydrophobicContact CG1-CD2 3.88Å; G542-L546 PolarHBondContact O-N 3.34Å; G542-L546 VanDerWaalsContact O-N 3.11Å; E543-L546 PolarHBondContact O-N 3.34Å; L544-L546 PolarHBondContact O-N 2.81Å; L546-I548 PolarHBondContact O-N 2.86Å; L546-C549 PolarHBondContact O-N 2.93Å; L546-L550 HydrophobicContact CB-CD1 4.48Å; L546-L550 VanDerWaalsContact O-CB 3.28Å; L546-L550 WeakPolarHBondContact O-CB 3.21Å; L546-L550 WeakPolarHBondContact O-CD1 3.34Å; L546-L550 WeakPolarHBondContact O-CG 3.49Å; L546-L550 PolarHBondContact O-N 3.47Å |
| 547 | E | 90.2 | Very high | 90 | Very high | 93 Ų | 93 | 28.7 Ų | 28.7 | 44% | 0.435 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -53.3 | -45.4 | 177 | -169.9 | -168.2 | 174.5 | 0 | 0 | 111.2 | R66 E543 L544 H545 K551 | R66-E547 IonicContact CZ-OE1 3.55Å; R66-E547 IonicContact CZ-OE2 3.26Å; R66-E547 IonicContact NH1-OE1 2.95Å; R66-E547 IonicContact NH1-OE2 3.04Å; R66-E547 PolarHBondContact NH1-OE2 3.42Å; R66-E547 IonicContact NH2-OE1 3.32Å; R66-E547 PolarHBondContact NH2-OE1 3.15Å; R66-E547 IonicContact NH2-OE2 2.78Å; R66-E547 PolarHBondContact NH2-OE2 2.84Å; R66-E547 VanDerWaalsContact NH2-OE2 3.12Å; E543-E547 WeakPolarHBondContact O-CB 3.34Å; E543-E547 PolarHBondContact O-N 3.47Å; L544-E547 PolarHBondContact O-N 3.38Å; H545-E547 VanDerWaalsContact C-N 3.35Å; H545-E547 PolarHBondContact O-N 2.86Å; E547-K551 WeakPolarHBondContact O-CB 3.43Å; E547-K551 PolarHBondContact O-N 3.48Å |
| 548 | I | 90.3 | Very high | 90 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.9 | -46 | 178.5 | -71.8 | 155.7 | 0 | 0 | 0 | 111.4 | I70 F120 L544 H545 L546 L550 K551 D552 | I70-I548 HydrophobicContact CD1-CD1 3.41Å; I70-I548 VanDerWaalsContact CD1-CD1 3.41Å; I70-I548 HydrophobicContact CD1-CG1 4.08Å; I70-I548 HydrophobicContact CG1-CD1 3.89Å; I70-I548 HydrophobicContact CG2-CD1 4.16Å; I70-I548 HydrophobicContact CG2-CG2 3.89Å; F120-I548 HydrophobicContact CE1-CD1 4.16Å; F120-I548 HydrophobicContact CE2-CD1 4.07Å; F120-I548 HydrophobicContact CZ-CD1 3.35Å; L544-I548 HydrophobicContact CD1-CD1 3.91Å; L544-I548 HydrophobicContact CG-CD1 4.25Å; L544-I548 PolarHBondContact O-N 3.47Å; H545-I548 PolarHBondContact O-N 2.92Å; L546-I548 PolarHBondContact O-N 2.86Å; I548-L550 VanDerWaalsContact C-N 3.27Å; I548-L550 PolarHBondContact O-N 3.36Å; I548-K551 WeakPolarHBondContact O-CB 3.26Å; I548-K551 PolarHBondContact O-N 3.29Å; I548-D552 PolarHBondContact O-N 3.25Å |
| 549 | C | 92.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.8 | -40.4 | 176.4 | -75.4 | 0 | 0 | 0 | 0 | 112.8 | L519 H545 L546 D552 L553 | L519-C549 HydrophobicContact CD1-CB 3.94Å; L519-C549 HydrophobicContact CD2-CB 4.15Å; H545-C549 PolarHBondContact CD2-SG 2.72Å; H545-C549 PolarHBondContact NE2-SG 2.93Å; H545-C549 PolarHBondContact O-N 2.87Å; L546-C549 PolarHBondContact O-N 2.93Å; C549-D552 PolarHBondContact O-N 3.47Å; C549-L553 VanDerWaalsContact O-CB 3.32Å; C549-L553 WeakPolarHBondContact O-CB 3.38Å; C549-L553 PolarHBondContact O-N 3.33Å |
| 550 | L | 94.2 | Very high | 89.9 | Confident | 17 Ų | 17 | 31.9 Ų | 31.9 | 9% | 0.089 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.1 | -35.9 | 178.9 | -69.4 | 165.8 | 0 | 0 | 0 | 111.9 | V499 V501 L546 I548 L553 R554 I564 | V499-L550 HydrophobicContact CG2-CD1 4.06Å; V499-L550 HydrophobicContact CG2-CD2 3.9Å; V499-L550 HydrophobicContact CG2-CG 4.3Å; V501-L550 HydrophobicContact CG2-CD2 3.46Å; V501-L550 VanDerWaalsContact CG2-CD2 3.46Å; L546-L550 HydrophobicContact CB-CD1 4.48Å; L546-L550 VanDerWaalsContact O-CB 3.28Å; L546-L550 WeakPolarHBondContact O-CB 3.21Å; L546-L550 WeakPolarHBondContact O-CD1 3.34Å; L546-L550 WeakPolarHBondContact O-CG 3.49Å; L546-L550 PolarHBondContact O-N 3.47Å; I548-L550 VanDerWaalsContact C-N 3.27Å; I548-L550 PolarHBondContact O-N 3.36Å; L550-L553 PolarHBondContact O-N 3.39Å; L550-R554 WeakPolarHBondContact O-CB 3.11Å; L550-R554 PolarHBondContact O-N 2.96Å; L550-I564 HydrophobicContact CB-CD1 4.14Å; L550-I564 HydrophobicContact CD1-CD1 4.12Å; L550-I564 HydrophobicContact CD1-CG2 3.87Å; L550-I564 HydrophobicContact CD2-CD1 4.03Å; L550-I564 HydrophobicContact CD2-CG1 4.29Å; L550-I564 HydrophobicContact CD2-CG2 4.22Å; L550-I564 HydrophobicContact CG-CD1 4.33Å |
| 551 | K | 92 | Very high | 90.1 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -48.5 | 172 | -175.1 | -174.4 | 169.8 | -163.3 | 0 | 110.7 | D62 E547 I548 L553 R554 E555 | D62-K551 IonicContact OD2-NZ 2.63Å; D62-K551 PolarHBondContact OD2-NZ 3.39Å; E547-K551 WeakPolarHBondContact O-CB 3.43Å; E547-K551 PolarHBondContact O-N 3.48Å; I548-K551 WeakPolarHBondContact O-CB 3.26Å; I548-K551 PolarHBondContact O-N 3.29Å; K551-L553 VanDerWaalsContact C-N 3.28Å; K551-L553 PolarHBondContact O-N 3.03Å; K551-R554 PolarHBondContact O-N 3.38Å; K551-R554 VanDerWaalsContact O-N 3.08Å; K551-E555 WeakPolarHBondContact CE-OE2 3.24Å; K551-E555 HydrophobicContact CG-CG 4.35Å; K551-E555 WeakPolarHBondContact O-CB 3.41Å; K551-E555 PolarHBondContact O-N 2.96Å |
| 552 | D | 91.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -40.3 | 176.7 | -71 | 7.1 | 0 | 0 | 0 | 111.2 | R60 L519 I548 C549 R554 D556 H557 | R60-D552 IonicContact CZ-OD1 2.64Å; R60-D552 IonicContact CZ-OD2 2.77Å; R60-D552 VanDerWaalsContact NH1-CG 3.34Å; R60-D552 IonicContact NH1-OD1 2.97Å; R60-D552 PolarHBondContact NH1-OD1 3.26Å; R60-D552 VanDerWaalsContact NH1-OD1 3.14Å; R60-D552 IonicContact NH1-OD2 3.44Å; R60-D552 PolarHBondContact NH1-OD2 3.21Å; R60-D552 IonicContact NH2-OD1 3.94Å; R60-D552 PolarHBondContact NH2-OD1 2.95Å; R60-D552 IonicContact NH2-OD2 3.19Å; L519-D552 HydrophobicContact CD1-CB 4.46Å; I548-D552 PolarHBondContact O-N 3.25Å; C549-D552 PolarHBondContact O-N 3.47Å; D552-R554 PolarHBondContact O-N 3.33Å; D552-D556 CarbonylContact O-C 3.29Å; D552-D556 WeakPolarHBondContact O-CA 3.32Å; D552-D556 WeakPolarHBondContact O-CB 3.28Å; D552-D556 PolarHBondContact O-N 3.45Å; D552-H557 PolarHBondContact O-N 2.85Å |
| 553 | L | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -60.3 | -46.4 | 174.3 | -173.4 | 59.3 | 0 | 0 | 0 | 111.6 | V501 L512 G515 L516 L519 C549 L550 K551 H557 A558 L562 | V501-L553 HydrophobicContact CG1-CD2 3.92Å; L512-L553 HydrophobicContact CD1-CD2 4.16Å; G515-L553 WeakPolarHBondContact O-CD1 3.38Å; L516-L553 HydrophobicContact CD2-CD1 4.21Å; L516-L553 HydrophobicContact CD2-CD2 3.63Å; L516-L553 HydrophobicContact CG-CD1 4.3Å; L516-L553 HydrophobicContact CG-CD2 4.35Å; L519-L553 HydrophobicContact CD2-CB 4.31Å; L519-L553 HydrophobicContact CD2-CD2 4.45Å; C549-L553 VanDerWaalsContact O-CB 3.32Å; C549-L553 WeakPolarHBondContact O-CB 3.38Å; C549-L553 PolarHBondContact O-N 3.33Å; L550-L553 PolarHBondContact O-N 3.39Å; K551-L553 VanDerWaalsContact C-N 3.28Å; K551-L553 PolarHBondContact O-N 3.03Å; L553-H557 HydrophobicContact CD1-CB 4.31Å; L553-A558 HydrophobicContact CD1-CB 3.98Å; L553-A558 HydrophobicContact CG-CB 4.4Å; L553-A558 WeakPolarHBondContact O-CA 3.44Å; L553-A558 WeakPolarHBondContact O-CB 3.24Å; L553-A558 PolarHBondContact O-N 3.05Å; L553-L562 HydrophobicContact CB-CD1 4.09Å; L553-L562 HydrophobicContact CD2-CD1 3.87Å; L553-L562 HydrophobicContact CG-CD1 3.83Å |
| 554 | R | 93.3 | Very high | 91.3 | Very high | 99 Ų | 99 | 39.7 Ų | 39.7 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -70 | -43.6 | -178.3 | -173.6 | -174.5 | -66.2 | 139 | -3.3 | 112.6 | L550 K551 D552 C559 I560 L562 | L550-R554 WeakPolarHBondContact O-CB 3.11Å; L550-R554 PolarHBondContact O-N 2.96Å; K551-R554 PolarHBondContact O-N 3.38Å; K551-R554 VanDerWaalsContact O-N 3.08Å; D552-R554 PolarHBondContact O-N 3.33Å; R554-C559 CarbonylContact O-C 3.52Å; R554-C559 WeakPolarHBondContact O-CA 3.41Å; R554-C559 PolarHBondContact O-N 2.98Å; R554-I560 WeakPolarHBondContact CG-O 3.37Å; R554-I560 PolarHBondContact O-N 3.37Å; R554-L562 HydrophobicContact CB-CD1 3.86Å; R554-L562 HydrophobicContact CB-CG 4.27Å; R554-L562 HydrophobicContact CG-CG 4.47Å |
| 555 | E | 90.3 | Very high | 91.5 | Very high | 104 Ų | 104 | 40.4 Ų | 40.4 | 49% | 0.486 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -95.7 | -41.9 | -167.7 | -65.4 | 179.2 | -171.5 | 0 | 0 | 112.3 | K551 C559 | K551-E555 WeakPolarHBondContact CE-OE2 3.24Å; K551-E555 HydrophobicContact CG-CG 4.35Å; K551-E555 WeakPolarHBondContact O-CB 3.41Å; K551-E555 PolarHBondContact O-N 2.96Å; E555-C559 PolarHBondContact O-SG 3.2Å |
| 556 | D | 86.8 | Confident | 91.4 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 44% | 0.444 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -111.8 | -31.9 | -167.4 | -63 | -40.8 | 0 | 0 | 0 | 114.5 | R518 D552 | R518-D556 PolarHBondContact NH1-O 3.29Å; R518-D556 VanDerWaalsContact NH1-O 3.14Å; R518-D556 PolarHBondContact NH2-O 2.81Å; R518-D556 VanDerWaalsContact NH2-O 3.12Å; D552-D556 CarbonylContact O-C 3.29Å; D552-D556 WeakPolarHBondContact O-CA 3.32Å; D552-D556 WeakPolarHBondContact O-CB 3.28Å; D552-D556 PolarHBondContact O-N 3.45Å |
| 557 | H | 89.7 | Confident | 91.2 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -99.7 | -58.6 | -172.1 | -57.6 | -28 | 0 | 0 | 0 | 113.6 | G515 R518 S522 D552 L553 | G515-H557 WeakPolarHBondContact O-CB 3.38Å; R518-H557 HydrophobicContact CB-CB 4.06Å; R518-H557 PolarHBondContact NH1-O 2.99Å; S522-H557 PolarHBondContact OG-NE2 3.17Å; D552-H557 PolarHBondContact O-N 2.85Å; L553-H557 HydrophobicContact CD1-CB 4.31Å |
| 558 | A | 90.6 | Very high | 91 | Very high | 6 Ų | 6 | 46 Ų | 46 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -91 | -29 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L553 I560 | L553-A558 HydrophobicContact CD1-CB 3.98Å; L553-A558 HydrophobicContact CG-CB 4.4Å; L553-A558 WeakPolarHBondContact O-CA 3.44Å; L553-A558 WeakPolarHBondContact O-CB 3.24Å; L553-A558 PolarHBondContact O-N 3.05Å; A558-I560 VanDerWaalsContact C-N 3.26Å; A558-I560 HydrophobicContact CB-CD1 4.17Å; A558-I560 HydrophobicContact CB-CG1 3.71Å; A558-I560 WeakPolarHBondContact O-CG2 3.4Å; A558-I560 PolarHBondContact O-N 3.41Å |
| 559 | C | 91.2 | Very high | 90.8 | Very high | 68 Ų | 68 | 46 Ų | 46 | 46% | 0.459 | 24% | 0.244 | S | C | . | . | trans | 54.5 | 39.1 | -179 | -56 | 0 | 0 | 0 | 0 | 113.1 | R554 E555 | R554-C559 CarbonylContact O-C 3.52Å; R554-C559 WeakPolarHBondContact O-CA 3.41Å; R554-C559 PolarHBondContact O-N 2.98Å; E555-C559 PolarHBondContact O-SG 3.2Å | ||
| 560 | I | 93 | Very high | 90.3 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -135.7 | 154.8 | -177.2 | 58.6 | 169.3 | 0 | 0 | 0 | 110.9 | C503 D508 K511 L512 R554 A558 L562 | C503-I560 HydrophobicContact CB-CD1 4.07Å; D508-I560 HydrophobicContact CB-CB 4.36Å; D508-I560 HydrophobicContact CB-CD1 3.89Å; D508-I560 HydrophobicContact CB-CG2 3.88Å; K511-I560 HydrophobicContact CB-CG2 4.23Å; K511-I560 HydrophobicContact CD-CG2 3.75Å; L512-I560 HydrophobicContact CB-CD1 3.86Å; R554-I560 WeakPolarHBondContact CG-O 3.37Å; R554-I560 PolarHBondContact O-N 3.37Å; A558-I560 VanDerWaalsContact C-N 3.26Å; A558-I560 HydrophobicContact CB-CD1 4.17Å; A558-I560 HydrophobicContact CB-CG1 3.71Å; A558-I560 WeakPolarHBondContact O-CG2 3.4Å; A558-I560 PolarHBondContact O-N 3.41Å; I560-L562 HydrophobicContact CD1-CD2 4.11Å; I560-L562 HydrophobicContact CG1-CD2 3.93Å; I560-L562 PolarHBondContact O-N 3.37Å |
| 561 | P | 93.9 | Very high | 90.2 | Very high | 80 Ų | 80 | 46.3 Ų | 46.3 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | trans | -63.7 | 132.3 | 169.3 | -17.4 | 30.5 | 0 | 0 | 0 | 111.3 | V504 | V504-P561 HydrophobicContact CB-CB 4.02Å; V504-P561 HydrophobicContact CG2-CB 3.69Å; V504-P561 PolarHBondContact N-O 3Å; V504-P561 VanDerWaalsContact N-O 3.17Å | ||
| 562 | L | 93.8 | Very high | 90.2 | Very high | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.7 | -178 | -58.3 | 177.4 | 0 | 0 | 0 | 111.3 | V501 D502 L512 L553 R554 I560 I564 | V501-L562 HydrophobicContact CG1-CB 4.25Å; V501-L562 HydrophobicContact CG1-CD1 4Å; V501-L562 HydrophobicContact CG1-CD2 3.9Å; V501-L562 HydrophobicContact CG1-CG 4.28Å; D502-L562 CarbonylContact O-C 3.56Å; D502-L562 WeakPolarHBondContact O-CA 3.46Å; L512-L562 HydrophobicContact CD1-CD2 3.72Å; L553-L562 HydrophobicContact CB-CD1 4.09Å; L553-L562 HydrophobicContact CD2-CD1 3.87Å; L553-L562 HydrophobicContact CG-CD1 3.83Å; R554-L562 HydrophobicContact CB-CD1 3.86Å; R554-L562 HydrophobicContact CB-CG 4.27Å; R554-L562 HydrophobicContact CG-CG 4.47Å; I560-L562 HydrophobicContact CD1-CD2 4.11Å; I560-L562 HydrophobicContact CG1-CD2 3.93Å; I560-L562 PolarHBondContact O-N 3.37Å; L562-I564 HydrophobicContact CB-CD1 4.25Å; L562-I564 HydrophobicContact CB-CG1 3.98Å |
| 563 | K | 92 | Very high | 90.5 | Very high | 100 Ų | 100 | 45.9 Ų | 45.9 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128 | 157.2 | -63.8 | 175.7 | -173.6 | 129.5 | 0 | 107.5 | V501 D502 C503 V504 | V501-K563 WeakPolarHBondContact CA-O 3.48Å; D502-K563 HydrophobicContact CB-CB 4.32Å; D502-K563 PolarHBondContact N-O 3.02Å; D502-K563 PolarHBondContact O-N 3.45Å; C503-K563 PolarHBondContact O-NZ 3.38Å; V504-K563 HydrophobicContact CG2-CG 3.94Å; V504-K563 PolarHBondContact O-NZ 3.41Å |
| 564 | I | 92.9 | Very high | 90.7 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 30% | 0.297 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.6 | -177.3 | -56.5 | 168.5 | 0 | 0 | 0 | 106.8 | V499 A500 L550 L562 | V499-I564 HydrophobicContact CB-CG2 4.16Å; V499-I564 HydrophobicContact CG1-CG2 4.35Å; A500-I564 WeakPolarHBondContact O-CA 3.36Å; L550-I564 HydrophobicContact CB-CD1 4.14Å; L550-I564 HydrophobicContact CD1-CD1 4.12Å; L550-I564 HydrophobicContact CD1-CG2 3.87Å; L550-I564 HydrophobicContact CD2-CD1 4.03Å; L550-I564 HydrophobicContact CD2-CG1 4.29Å; L550-I564 HydrophobicContact CD2-CG2 4.22Å; L550-I564 HydrophobicContact CG-CD1 4.33Å; L562-I564 HydrophobicContact CB-CD1 4.25Å; L562-I564 HydrophobicContact CB-CG1 3.98Å |
| 565 | S | 89.7 | Confident | 90.9 | Very high | 46 Ų | 46 | 41.8 Ų | 41.8 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -70.8 | 168.1 | 174 | 75.4 | 0 | 0 | 0 | 0 | 111.2 | A500 | A500-S565 PolarHBondContact N-OG 3Å; A500-S565 PolarHBondContact O-N 3.29Å |
| 566 | N | 86.1 | Confident | 91.2 | Very high | 138 Ų | 138 | 39.7 Ų | 39.7 | 74% | 0.738 | 22% | 0.221 | S | C | * | . | P | Polyproline II helix | trans | -59.4 | 146.3 | 164 | -67.9 | -22.1 | 0 | 0 | 0 | 110 | ||
| 567 | P | 87.6 | Confident | 91.7 | Very high | 40 Ų | 40 | 40 Ų | 40 | 26% | 0.26 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 138.9 | 173.3 | 28.7 | -34.5 | 0 | 0 | 0 | 110 | V497 R498 V499 F786 | V497-P567 HydrophobicContact CG1-CB 3.77Å; R498-P567 CarbonylContact O-C 3.01Å; R498-P567 WeakPolarHBondContact O-CA 3.33Å; V499-P567 HydrophobicContact CG1-CB 3.95Å; P567-F786 HydrophobicContact CB-CD1 4.22Å; P567-F786 HydrophobicContact CB-CE1 3.66Å; P567-F786 HydrophobicContact CB-CE2 4.33Å; P567-F786 HydrophobicContact CB-CZ 3.72Å; P567-F786 HydrophobicContact CG-CD1 3.88Å; P567-F786 HydrophobicContact CG-CD2 4.32Å; P567-F786 HydrophobicContact CG-CE1 3.84Å; P567-F786 HydrophobicContact CG-CE2 4.25Å; P567-F786 HydrophobicContact CG-CG 4.15Å; P567-F786 HydrophobicContact CG-CZ 4.02Å; P567-F786 WeakPolarHBondContact O-CE2 3.4Å |
| 568 | V | 85.5 | Confident | 92.1 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.8 | 178.1 | -62.8 | 0 | 0 | 0 | 0 | 109.7 | R498 | R498-V568 HydrophobicContact CB-CG2 3.93Å; R498-V568 PolarHBondContact N-O 2.86Å; R498-V568 PolarHBondContact O-N 3.32Å |
| 569 | V | 86.8 | Confident | 92.5 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 148.3 | 177.2 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | Y571 P735 V782 N783 F786 | V569-Y571 HydrophobicContact CG2-CD2 3.98Å; V569-Y571 HydrophobicContact CG2-CE1 4.06Å; V569-Y571 HydrophobicContact CG2-CE2 3.36Å; V569-Y571 PolarHBondContact O-N 3.46Å; V569-P735 HydrophobicContact CB-CG 4.39Å; V569-V782 HydrophobicContact CG1-CB 4.05Å; V569-V782 HydrophobicContact CG1-CG1 3.69Å; V569-N783 HydrophobicContact CG1-CB 3.81Å; V569-N783 HydrophobicContact CG2-CB 3.95Å; V569-F786 HydrophobicContact CG1-CE2 4.19Å; V569-F786 HydrophobicContact CG1-CZ 3.93Å |
| 570 | S | 81.6 | Confident | 92.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -85.4 | 100.4 | 174.1 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | V496 R498 W809 | V496-S570 PolarHBondContact O-N 2.69Å; V496-S570 PolarHBondContact O-OG 2.82Å; R498-S570 WeakPolarHBondContact CD-OG 3.28Å; R498-S570 WeakPolarHBondContact CG-OG 3.23Å; R498-S570 VanDerWaalsContact CZ-OG 3.23Å; R498-S570 PolarHBondContact NE-OG 3.29Å; R498-S570 PolarHBondContact NH2-OG 2.78Å; S570-W809 WeakPolarHBondContact O-CH2 3.29Å; S570-W809 WeakPolarHBondContact O-CZ3 3.47Å | ||
| 571 | Y | 91.8 | Very high | 92.9 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 10% | 0.102 | 26% | 0.262 | C | S | . | . | trans | -70.4 | 167.8 | 171.4 | -65.3 | -85.5 | 0 | 0 | 0 | 111.3 | V569 L732 L733 E734 Y812 A826 | V569-Y571 HydrophobicContact CG2-CD2 3.98Å; V569-Y571 HydrophobicContact CG2-CE1 4.06Å; V569-Y571 HydrophobicContact CG2-CE2 3.36Å; V569-Y571 PolarHBondContact O-N 3.46Å; Y571-L732 HydrophobicContact CD1-CD1 4.45Å; Y571-L732 HydrophobicContact CG-CD1 4.44Å; Y571-L733 WeakPolarHBondContact CA-O 3.41Å; Y571-L733 WeakPolarHBondContact CD1-O 3.29Å; Y571-E734 HydrophobicContact CD1-CB 4.09Å; Y571-E734 HydrophobicContact CE1-CB 3.8Å; Y571-Y812 HydrophobicContact CD1-CD1 4.41Å; Y571-Y812 AromaticContact CE1-CD1 3.74Å; Y571-Y812 HydrophobicContact CE1-CD1 3.74Å; Y571-Y812 AromaticContact CE1-CE1 4Å; Y571-Y812 HydrophobicContact CE1-CE1 4Å; Y571-Y812 HydrophobicContact CE1-CG 4.44Å; Y571-A826 HydrophobicContact CE2-CB 4.16Å | ||
| 572 | R | 93.5 | Very high | 93.1 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 147.8 | 162.1 | -61.8 | -70.3 | 178.9 | -85.5 | -4.2 | 109.8 | H688 R690 L732 L733 W809 | R572-H688 CarbonylContact C-O 3.58Å; R572-H688 WeakPolarHBondContact CA-O 3.43Å; R572-H688 WeakPolarHBondContact CB-O 3.19Å; R572-H688 WeakPolarHBondContact CD-O 3.26Å; R572-R690 HydrophobicContact CB-CB 3.9Å; R572-R690 HydrophobicContact CG-CB 4.04Å; R572-L732 CarbonylContact O-C 3.58Å; R572-L732 WeakPolarHBondContact O-CA 3.22Å; R572-L733 HydrophobicContact CB-CB 4.15Å; R572-L733 HydrophobicContact CB-CD1 4.27Å; R572-L733 PolarHBondContact N-O 3.35Å; R572-L733 PolarHBondContact O-N 3.34Å; R572-W809 HydrophobicContact CB-CE3 4.32Å; R572-W809 HydrophobicContact CB-CZ3 4.32Å; R572-W809 HydrophobicContact CG-CD2 4.01Å; R572-W809 HydrophobicContact CG-CE3 3.81Å; R572-W809 HydrophobicContact CG-CH2 3.59Å; R572-W809 HydrophobicContact CG-CZ2 3.78Å; R572-W809 HydrophobicContact CG-CZ3 3.58Å |
| 573 | E | 97.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 140.7 | 171.4 | -61.4 | -174.8 | -146.9 | 0 | 0 | 109.5 | G682 V683 L684 C685 Q686 E687 H688 M689 R690 L732 | E573-G682 VanDerWaalsContact OE1-C 3.3Å; E573-G682 VanDerWaalsContact OE1-CA 3.32Å; E573-G682 WeakPolarHBondContact OE1-CA 3.29Å; E573-G682 WeakPolarHBondContact OE2-CA 3.42Å; E573-V683 PolarHBondContact OE2-N 2.98Å; E573-L684 HydrophobicContact CG-CB 4.24Å; E573-L684 HydrophobicContact CG-CD1 4.24Å; E573-L684 HydrophobicContact CG-CG 4.45Å; E573-L684 VanDerWaalsContact OE2-CB 3.31Å; E573-L684 WeakPolarHBondContact OE2-CB 3.36Å; E573-L684 WeakPolarHBondContact OE2-CG 3.35Å; E573-L684 PolarHBondContact OE2-N 2.85Å; E573-C685 PolarHBondContact OE1-N 2.83Å; E573-Q686 PolarHBondContact OE1-N 2.89Å; E573-Q686 VanDerWaalsContact OE1-N 3.07Å; E573-E687 HydrophobicContact CG-CB 4.22Å; E573-E687 PolarHBondContact OE1-N 2.84Å; E573-H688 PolarHBondContact N-O 3.36Å; E573-M689 HydrophobicContact CB-CG 4.26Å; E573-M689 CarbonylContact O-C 3.56Å; E573-M689 WeakPolarHBondContact O-CA 3.38Å; E573-R690 PolarHBondContact O-N 2.98Å; E573-L732 HydrophobicContact CG-CD2 3.98Å |
| 574 | T | 97.2 | Very high | 93.5 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | -175.3 | 175.1 | -163 | 0 | 0 | 0 | 0 | 111 | R690 P730 C731 L733 | T574-R690 WeakPolarHBondContact CB-O 3.32Å; T574-R690 PolarHBondContact OG1-O 2.81Å; T574-P730 CarbonylContact O-C 3.6Å; T574-P730 WeakPolarHBondContact O-CA 3.31Å; T574-C731 WeakPolarHBondContact CG2-SG 3.43Å; T574-C731 PolarHBondContact N-O 3.4Å; T574-C731 PolarHBondContact O-N 2.79Å; T574-L733 HydrophobicContact CG2-CD1 3.92Å; T574-L733 HydrophobicContact CG2-CD2 3.77Å; T574-L733 HydrophobicContact CG2-CG 3.59Å |
| 575 | V | 97.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.5 | 176.7 | -63.9 | 0 | 0 | 0 | 0 | 108.8 | V692 V725 A728 | V575-V692 HydrophobicContact CG2-CG1 3.88Å; V575-V692 HydrophobicContact CG2-CG2 4.18Å; V575-V725 HydrophobicContact CG1-CB 4.29Å; V575-V725 HydrophobicContact CG1-CG1 3.9Å; V575-V725 HydrophobicContact CG1-CG2 4.29Å; V575-A728 HydrophobicContact CB-CB 3.81Å; V575-A728 WeakPolarHBondContact CB-O 3.3Å; V575-A728 HydrophobicContact CG1-CB 3.65Å; V575-A728 HydrophobicContact CG2-CB 4.35Å |
| 576 | T | 96.4 | Very high | 94.1 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 36% | 0.362 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -106.8 | -13.7 | 178.7 | 57 | 0 | 0 | 0 | 0 | 113.7 | A728 K729 C731 I811 | T576-A728 PolarHBondContact N-O 2.86Å; T576-K729 PolarHBondContact N-O 2.98Å; T576-K729 VanDerWaalsContact N-O 3.12Å; T576-K729 WeakPolarHBondContact OG1-CB 3.44Å; T576-K729 PolarHBondContact OG1-O 2.98Å; T576-C731 HydrophobicContact CG2-CB 4.18Å; T576-C731 WeakPolarHBondContact CG2-SG 3.49Å; T576-I811 HydrophobicContact CG2-CD1 3.97Å |
| 577 | E | 97.3 | Very high | 94.6 | Very high | 90 Ų | 90 | 34.1 Ų | 34.1 | 42% | 0.421 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -137.1 | 167.9 | -178.4 | -70.5 | -175.5 | -173.5 | 0 | 0 | 111.6 | P600 A728 K729 | E577-P600 VanDerWaalsContact C-CD 3.48Å; E577-P600 WeakPolarHBondContact O-CD 3.34Å; E577-A728 PolarHBondContact N-O 2.88Å; E577-A728 VanDerWaalsContact O-CB 3.31Å; E577-A728 WeakPolarHBondContact O-CB 3.49Å; E577-K729 HydrophobicContact CB-CB 4.41Å; E577-K729 HydrophobicContact CB-CD 4.46Å; E577-K729 HydrophobicContact CB-CG 4.41Å; E577-K729 VanDerWaalsContact CD-CE 3.42Å; E577-K729 HydrophobicContact CG-CD 4.03Å; E577-K729 HydrophobicContact CG-CG 4.5Å; E577-K729 WeakPolarHBondContact OE1-CE 3.18Å; E577-K729 IonicContact OE1-NZ 2.73Å; E577-K729 PolarHBondContact OE1-NZ 3.17Å; E577-K729 VanDerWaalsContact OE2-CD 3.26Å; E577-K729 WeakPolarHBondContact OE2-CD 3.34Å; E577-K729 WeakPolarHBondContact OE2-CE 3.42Å; E577-K729 IonicContact OE2-NZ 2.73Å; E577-K729 PolarHBondContact OE2-NZ 2.64Å |
| 578 | E | 98 | Very high | 94.9 | Very high | 89 Ų | 89 | 36.8 Ų | 36.8 | 42% | 0.416 | 19% | 0.194 | S | C | . | . | trans | -67.4 | 145.5 | 167.4 | -179.1 | 174.8 | 171.3 | 0 | 0 | 110.3 | N580 R597 A598 L599 | E578-N580 PolarHBondContact O-N 3.28Å; E578-N580 VanDerWaalsContact O-N 3.15Å; E578-R597 WeakPolarHBondContact OE1-CD 2.87Å; E578-R597 IonicContact OE1-CZ 2.95Å; E578-R597 IonicContact OE1-NE 2.65Å; E578-R597 IonicContact OE1-NH1 3.91Å; E578-R597 PolarHBondContact OE1-NH1 3.33Å; E578-A598 CarbonylContact C-O 3.55Å; E578-A598 WeakPolarHBondContact CA-O 3.49Å; E578-L599 HydrophobicContact CB-CB 4.48Å; E578-L599 HydrophobicContact CB-CD2 3.88Å; E578-L599 HydrophobicContact CB-CG 4.18Å; E578-L599 VanDerWaalsContact CD-CD2 3.47Å; E578-L599 HydrophobicContact CG-CD2 3.53Å; E578-L599 HydrophobicContact CG-CG 3.86Å | ||
| 579 | S | 98.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | trans | -47.8 | 122.5 | 168.7 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | Q581 A598 S724 T727 | S579-Q581 WeakPolarHBondContact CB-O 3.43Å; S579-Q581 PolarHBondContact O-N 3.13Å; S579-A598 PolarHBondContact N-O 2.86Å; S579-A598 PolarHBondContact OG-N 3.42Å; S579-A598 PolarHBondContact OG-O 3.18Å; S579-S724 PolarHBondContact OG-O 2.81Å; S579-T727 WeakPolarHBondContact CA-O 3.43Å; S579-T727 WeakPolarHBondContact CB-OG1 3.39Å; S579-T727 PolarHBondContact OG-OG1 2.92Å | ||
| 580 | N | 97 | Very high | 95.5 | Very high | 127 Ų | 127 | 44.1 Ų | 44.1 | 68% | 0.679 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -65 | -9.9 | -179.3 | 67.1 | 8.4 | 0 | 0 | 0 | 114.4 | E578 T727 | E578-N580 PolarHBondContact O-N 3.28Å; E578-N580 VanDerWaalsContact O-N 3.15Å; N580-T727 PolarHBondContact N-O 2.79Å; N580-T727 WeakPolarHBondContact OD1-CB 3.29Å |
| 581 | Q | 96.3 | Very high | 96.1 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -149.7 | 160.5 | 175.7 | 66.4 | -171.7 | -47 | 0 | 0 | 111 | S579 C583 T727 | S579-Q581 WeakPolarHBondContact CB-O 3.43Å; S579-Q581 PolarHBondContact O-N 3.13Å; Q581-C583 PolarHBondContact O-N 3.29Å; Q581-T727 HydrophobicContact CG-CG2 4.02Å |
| 582 | T | 97.5 | Very high | 96.3 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 34% | 0.344 | 24% | 0.238 | S | C | . | . | trans | -76.6 | 119 | 169.8 | -55.8 | 0 | 0 | 0 | 0 | 109.3 | Y595 R597 M697 | T582-Y595 HydrophobicContact CG2-CD1 4.22Å; T582-Y595 HydrophobicContact CG2-CG 4.47Å; T582-R597 PolarHBondContact OG1-NE 2.79Å; T582-R597 PolarHBondContact OG1-NH2 2.8Å; T582-R597 VanDerWaalsContact OG1-NH2 3.14Å; T582-M697 HydrophobicContact CG2-CB 4.26Å; T582-M697 HydrophobicContact CG2-CG 4.25Å | ||
| 583 | C | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 138.2 | -178.6 | -66.3 | 0 | 0 | 0 | 0 | 110.9 | Q581 Y595 M596 C720 A723 S724 T727 L847 | Q581-C583 PolarHBondContact O-N 3.29Å; C583-Y595 CarbonylContact O-C 3.55Å; C583-Y595 WeakPolarHBondContact O-CA 3.4Å; C583-M596 PolarHBondContact N-O 3.19Å; C583-M596 PolarHBondContact O-N 3.18Å; C583-C720 PolarHBondContact O-SG 3.43Å; C583-A723 HydrophobicContact CB-CB 3.73Å; C583-A723 PolarHBondContact SG-O 3.43Å; C583-A723 VanDerWaalsContact SG-O 3.36Å; C583-S724 PolarHBondContact SG-N 3.36Å; C583-T727 PolarHBondContact SG-OG1 2.96Å; C583-T727 VanDerWaalsContact SG-OG1 3.32Å; C583-L847 HydrophobicContact CB-CD1 3.97Å |
| 584 | L | 97.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.2 | 178 | 164.6 | 62.5 | 0 | 0 | 0 | 110.3 | K586 R593 L594 Y595 D848 L850 | L584-K586 HydrophobicContact CD1-CG 4.35Å; L584-R593 HydrophobicContact CD1-CB 3.69Å; L584-R593 HydrophobicContact CD1-CG 4.29Å; L584-L594 WeakPolarHBondContact CA-O 3.39Å; L584-Y595 HydrophobicContact CB-CD1 4.02Å; L584-Y595 HydrophobicContact CB-CE1 3.94Å; L584-Y595 HydrophobicContact CD1-CD1 4.14Å; L584-Y595 HydrophobicContact CD1-CE1 3.66Å; L584-Y595 HydrophobicContact CD1-CE2 4.23Å; L584-Y595 HydrophobicContact CD2-CE1 4.11Å; L584-Y595 HydrophobicContact CG-CE1 4.11Å; L584-D848 HydrophobicContact CG-CB 4.24Å; L584-D848 PolarHBondContact O-N 3.14Å; L584-L850 HydrophobicContact CD2-CB 4.42Å; L584-L850 HydrophobicContact CD2-CD2 4.31Å; L584-L850 HydrophobicContact CD2-CG 3.87Å |
| 585 | S | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.8 | 161.5 | -165 | 0 | 0 | 0 | 0 | 111.7 | R593 L594 T716 R719 D848 | S585-R593 WeakPolarHBondContact O-CA 3.36Å; S585-L594 PolarHBondContact N-O 2.89Å; S585-L594 PolarHBondContact O-N 3.17Å; S585-T716 VanDerWaalsContact CB-O 3.27Å; S585-T716 WeakPolarHBondContact CB-O 3.28Å; S585-T716 WeakPolarHBondContact O-CG2 3.49Å; S585-T716 PolarHBondContact OG-O 3.25Å; S585-R719 WeakPolarHBondContact OG-CB 3.48Å; S585-R719 PolarHBondContact OG-NH1 3.15Å; S585-D848 WeakPolarHBondContact CA-OD2 3.5Å |
| 586 | K | 97.4 | Very high | 96.6 | Very high | 43 Ų | 43 | 49.4 Ų | 49.4 | 19% | 0.187 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 142 | 179.9 | -61.9 | 176.8 | 173.4 | 175.9 | 0 | 110.5 | L584 N592 R593 T716 D848 K849 L850 | L584-K586 HydrophobicContact CD1-CG 4.35Å; K586-N592 WeakPolarHBondContact CA-O 3.26Å; K586-R593 HydrophobicContact CG-CG 4.26Å; K586-T716 VanDerWaalsContact C-CG2 3.46Å; K586-D848 HydrophobicContact CD-CB 4.26Å; K586-D848 HydrophobicContact CG-CB 4.08Å; K586-D848 PolarHBondContact N-OD2 2.88Å; K586-K849 WeakPolarHBondContact CE-O 3.1Å; K586-K849 PolarHBondContact NZ-O 2.98Å; K586-L850 WeakPolarHBondContact CE-OXT 3.45Å; K586-L850 PolarHBondContact NZ-OXT 2.7Å |
| 587 | S | 95.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | trans | -64.5 | 158.5 | 172.9 | 54.8 | 0 | 0 | 0 | 0 | 112.4 | N589 K590 H591 N592 Q712 T716 | S587-N589 WeakPolarHBondContact CB-OD1 3.47Å; S587-N589 PolarHBondContact O-N 3.05Å; S587-N589 VanDerWaalsContact O-N 3.16Å; S587-N589 PolarHBondContact OG-OD1 3Å; S587-K590 VanDerWaalsContact O-CA 3.29Å; S587-K590 WeakPolarHBondContact O-CA 3.36Å; S587-K590 PolarHBondContact O-N 3.12Å; S587-H591 PolarHBondContact OG-N 3.45Å; S587-N592 PolarHBondContact N-O 2.77Å; S587-N592 WeakPolarHBondContact OG-CB 3.18Å; S587-N592 PolarHBondContact OG-N 2.92Å; S587-N592 PolarHBondContact OG-ND2 2.83Å; S587-N592 PolarHBondContact OG-O 2.96Å; S587-Q712 WeakPolarHBondContact CB-O 3.39Å; S587-T716 VanDerWaalsContact CA-OG1 3.24Å; S587-T716 WeakPolarHBondContact CA-OG1 3.48Å | ||
| 588 | P | 93.8 | Very high | 96.7 | Very high | 96 Ų | 96 | 45.5 Ų | 45.5 | 62% | 0.623 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -38.3 | 177.2 | -29.9 | 34.7 | 0 | 0 | 0 | 113.8 | K590 | P588-K590 VanDerWaalsContact C-N 3.26Å; P588-K590 PolarHBondContact O-N 3.09Å |
| 589 | N | 92.8 | Very high | 96.7 | Very high | 41 Ų | 41 | 42.7 Ų | 42.7 | 22% | 0.219 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 0.1 | 174.6 | 67 | 10.7 | 0 | 0 | 0 | 114.5 | S587 H591 H707 Q712 | S587-N589 WeakPolarHBondContact CB-OD1 3.47Å; S587-N589 PolarHBondContact O-N 3.05Å; S587-N589 VanDerWaalsContact O-N 3.16Å; S587-N589 PolarHBondContact OG-OD1 3Å; N589-H591 PolarHBondContact O-CD2 2.66Å; N589-H591 PolarHBondContact O-N 2.81Å; N589-H591 PolarHBondContact OD1-N 2.81Å; N589-H707 PolarHBondContact ND2-ND1 3.49Å; N589-Q712 PolarHBondContact ND2-OE1 3.21Å; N589-Q712 PolarHBondContact OD1-OE1 2.83Å |
| 590 | K | 93.6 | Very high | 96.7 | Very high | 153 Ų | 153 | 45.3 Ų | 45.3 | 67% | 0.665 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 60.5 | 8.4 | -178.8 | -54.8 | 178.2 | -178.6 | 177.5 | 0 | 115.8 | S587 P588 | S587-K590 VanDerWaalsContact O-CA 3.29Å; S587-K590 WeakPolarHBondContact O-CA 3.36Å; S587-K590 PolarHBondContact O-N 3.12Å; P588-K590 VanDerWaalsContact C-N 3.26Å; P588-K590 PolarHBondContact O-N 3.09Å |
| 591 | H | 93.6 | Very high | 96.6 | Very high | 85 Ų | 85 | 40.2 Ų | 40.2 | 39% | 0.394 | 20% | 0.198 | S | C | . | . | trans | -84.8 | -27.8 | -177.8 | -66.7 | -55.2 | 0 | 0 | 0 | 113.7 | S587 N589 H702 | S587-H591 PolarHBondContact OG-N 3.45Å; N589-H591 PolarHBondContact O-CD2 2.66Å; N589-H591 PolarHBondContact O-N 2.81Å; N589-H591 PolarHBondContact OD1-N 2.81Å; H591-H702 HydrophobicContact CB-CB 3.95Å; H591-H702 AromaticContact CG-CD2 3.77Å; H591-H702 AromaticContact ND1-CD2 3.82Å | ||
| 592 | N | 96 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -109 | 145.2 | 178.2 | -45.4 | -76.4 | 0 | 0 | 0 | 110.7 | K586 S587 V700 L701 H702 H707 I713 | K586-N592 WeakPolarHBondContact CA-O 3.26Å; S587-N592 PolarHBondContact N-O 2.77Å; S587-N592 WeakPolarHBondContact OG-CB 3.18Å; S587-N592 PolarHBondContact OG-N 2.92Å; S587-N592 PolarHBondContact OG-ND2 2.83Å; S587-N592 PolarHBondContact OG-O 2.96Å; N592-V700 CarbonylContact C-O 3.5Å; N592-V700 WeakPolarHBondContact CA-O 3.21Å; N592-L701 HydrophobicContact CB-CD2 4.19Å; N592-H702 PolarHBondContact OD1-N 2.61Å; N592-H702 VanDerWaalsContact OD1-N 3.09Å; N592-H707 PolarHBondContact ND2-O 3.42Å; N592-I713 HydrophobicContact CB-CD1 4.06Å | ||
| 593 | R | 97.2 | Very high | 96.2 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 129.9 | 179.7 | -53.3 | -175.5 | -173.4 | 170.5 | 1.2 | 109.1 | L584 S585 K586 Y595 V699 V700 L850 | L584-R593 HydrophobicContact CD1-CB 3.69Å; L584-R593 HydrophobicContact CD1-CG 4.29Å; S585-R593 WeakPolarHBondContact O-CA 3.36Å; K586-R593 HydrophobicContact CG-CG 4.26Å; R593-Y595 HydrophobicContact CB-CE2 3.9Å; R593-V699 CarbonylContact O-C 3.54Å; R593-V699 WeakPolarHBondContact O-CA 3.46Å; R593-V700 HydrophobicContact CB-CB 4.02Å; R593-V700 HydrophobicContact CB-CG2 4.42Å; R593-V700 HydrophobicContact CG-CB 4.29Å; R593-V700 PolarHBondContact N-O 3.21Å; R593-V700 PolarHBondContact O-N 2.9Å; R593-L850 VanDerWaalsContact NH1-CD2 3.34Å |
| 594 | L | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.7 | 177.3 | -54.9 | -177.1 | 0 | 0 | 0 | 109.2 | L584 S585 M596 I667 V699 T716 A717 C720 | L584-L594 WeakPolarHBondContact CA-O 3.39Å; S585-L594 PolarHBondContact N-O 2.89Å; S585-L594 PolarHBondContact O-N 3.17Å; L594-M596 HydrophobicContact CD1-CE 4.37Å; L594-I667 HydrophobicContact CD2-CD1 4.08Å; L594-V699 HydrophobicContact CD2-CB 4.45Å; L594-V699 HydrophobicContact CD2-CG1 3.73Å; L594-V699 HydrophobicContact CD2-CG2 4.05Å; L594-T716 HydrophobicContact CD1-CG2 4.05Å; L594-T716 HydrophobicContact CG-CG2 4.1Å; L594-A717 VanDerWaalsContact CD1-CA 3.49Å; L594-A717 HydrophobicContact CD1-CB 3.6Å; L594-C720 HydrophobicContact CB-CB 4.47Å; L594-C720 PolarHBondContact O-SG 2.86Å |
| 595 | Y | 98.2 | Very high | 95.9 | Very high | 33 Ų | 33 | 45.3 Ų | 45.3 | 13% | 0.129 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122.7 | 177.7 | -60.1 | -92.8 | 0 | 0 | 0 | 110.2 | T582 C583 L584 R593 M697 D698 V700 L850 | T582-Y595 HydrophobicContact CG2-CD1 4.22Å; T582-Y595 HydrophobicContact CG2-CG 4.47Å; C583-Y595 CarbonylContact O-C 3.55Å; C583-Y595 WeakPolarHBondContact O-CA 3.4Å; L584-Y595 HydrophobicContact CB-CD1 4.02Å; L584-Y595 HydrophobicContact CB-CE1 3.94Å; L584-Y595 HydrophobicContact CD1-CD1 4.14Å; L584-Y595 HydrophobicContact CD1-CE1 3.66Å; L584-Y595 HydrophobicContact CD1-CE2 4.23Å; L584-Y595 HydrophobicContact CD2-CE1 4.11Å; L584-Y595 HydrophobicContact CG-CE1 4.11Å; R593-Y595 HydrophobicContact CB-CE2 3.9Å; Y595-M697 PolarHBondContact O-N 2.98Å; Y595-D698 WeakPolarHBondContact CB-O 3.34Å; Y595-D698 HydrophobicContact CD2-CB 3.83Å; Y595-D698 WeakPolarHBondContact CD2-O 3.45Å; Y595-D698 HydrophobicContact CG-CB 4.21Å; Y595-D698 PolarHBondContact N-O 3.01Å; Y595-D698 PolarHBondContact O-N 3.42Å; Y595-V700 HydrophobicContact CE2-CG2 4.26Å; Y595-L850 WeakPolarHBondContact OH-CD2 3.47Å |
| 596 | M | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 157.5 | -174.9 | -64.2 | 174.4 | 176 | 0 | 0 | 113.5 | C583 L594 V671 N695 L696 A717 C720 F721 S724 | C583-M596 PolarHBondContact N-O 3.19Å; C583-M596 PolarHBondContact O-N 3.18Å; L594-M596 HydrophobicContact CD1-CE 4.37Å; M596-V671 HydrophobicContact CE-CG1 4.11Å; M596-N695 VanDerWaalsContact CA-O 3.24Å; M596-N695 WeakPolarHBondContact CA-O 3.28Å; M596-L696 HydrophobicContact CE-CD1 3.61Å; M596-L696 HydrophobicContact CG-CD1 3.88Å; M596-A717 HydrophobicContact CE-CB 4.36Å; M596-C720 HydrophobicContact CG-CB 4.36Å; M596-C720 HydrophobicContact SD-CB 3.72Å; M596-F721 HydrophobicContact CE-CD1 4.27Å; M596-F721 HydrophobicContact CE-CE1 3.65Å; M596-F721 HydrophobicContact CE-CE2 4.34Å; M596-F721 HydrophobicContact CE-CZ 3.68Å; M596-F721 HydrophobicContact SD-CD1 3.41Å; M596-F721 WeakPolarHBondContact SD-CD1 3.2Å; M596-F721 HydrophobicContact SD-CE1 3.33Å; M596-F721 WeakPolarHBondContact SD-CE1 3.47Å; M596-F721 HydrophobicContact SD-CG 4.12Å; M596-F721 HydrophobicContact SD-CZ 3.95Å; M596-S724 VanDerWaalsContact C-OG 3.26Å; M596-S724 WeakPolarHBondContact CB-OG 3.4Å; M596-S724 PolarHBondContact O-OG 2.75Å; M596-S724 VanDerWaalsContact O-OG 3.13Å |
| 597 | R | 98.5 | Very high | 95.4 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 25% | 0.253 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149.1 | 166.1 | -67.5 | -171.7 | -179.4 | -167.1 | -5.2 | 110.2 | E578 T582 F694 N695 M697 | E578-R597 WeakPolarHBondContact OE1-CD 2.87Å; E578-R597 IonicContact OE1-CZ 2.95Å; E578-R597 IonicContact OE1-NE 2.65Å; E578-R597 IonicContact OE1-NH1 3.91Å; E578-R597 PolarHBondContact OE1-NH1 3.33Å; T582-R597 PolarHBondContact OG1-NE 2.79Å; T582-R597 PolarHBondContact OG1-NH2 2.8Å; T582-R597 VanDerWaalsContact OG1-NH2 3.14Å; R597-F694 CarbonylContact O-C 3.6Å; R597-F694 WeakPolarHBondContact O-CA 3.41Å; R597-N695 PolarHBondContact N-O 3.33Å; R597-N695 VanDerWaalsContact N-O 3.12Å; R597-N695 PolarHBondContact O-N 2.98Å; R597-M697 HydrophobicContact CB-CG 4.44Å; R597-M697 HydrophobicContact CB-SD 4.45Å; R597-M697 HydrophobicContact CG-CG 4.07Å; R597-M697 HydrophobicContact CG-SD 4.36Å |
| 598 | A | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 144.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | E578 S579 V692 R693 F694 V725 A728 | E578-A598 CarbonylContact C-O 3.55Å; E578-A598 WeakPolarHBondContact CA-O 3.49Å; S579-A598 PolarHBondContact N-O 2.86Å; S579-A598 PolarHBondContact OG-N 3.42Å; S579-A598 PolarHBondContact OG-O 3.18Å; A598-V692 HydrophobicContact CB-CG1 4.05Å; A598-R693 CarbonylContact C-O 3.55Å; A598-R693 VanDerWaalsContact CA-O 3.27Å; A598-R693 WeakPolarHBondContact CA-O 2.91Å; A598-F694 HydrophobicContact CB-CD1 3.87Å; A598-F694 HydrophobicContact CB-CE1 3.75Å; A598-F694 HydrophobicContact CB-CZ 4.45Å; A598-V725 HydrophobicContact CB-CG2 4.48Å; A598-A728 HydrophobicContact CB-CB 4.08Å |
| 599 | L | 97.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 44.8 Ų | 44.8 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 152.5 | 175.5 | -33.5 | 92.7 | 0 | 0 | 0 | 108.9 | E578 R693 N695 | E578-L599 HydrophobicContact CB-CB 4.48Å; E578-L599 HydrophobicContact CB-CD2 3.88Å; E578-L599 HydrophobicContact CB-CG 4.18Å; E578-L599 VanDerWaalsContact CD-CD2 3.47Å; E578-L599 HydrophobicContact CG-CD2 3.53Å; E578-L599 HydrophobicContact CG-CG 3.86Å; L599-R693 HydrophobicContact CD1-CB 4.29Å; L599-R693 HydrophobicContact CD1-CG 4Å; L599-R693 PolarHBondContact N-O 3.22Å; L599-R693 PolarHBondContact O-N 2.96Å; L599-N695 HydrophobicContact CD1-CB 4.47Å; L599-N695 WeakPolarHBondContact CD1-ND2 3.37Å |
| 600 | P | 97.5 | Very high | 94.9 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 141.5 | 172.1 | 27.4 | -35.8 | 0 | 0 | 0 | 111.1 | E577 | E577-P600 VanDerWaalsContact C-CD 3.48Å; E577-P600 WeakPolarHBondContact O-CD 3.34Å |
| 601 | L | 95.7 | Very high | 94.4 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -81 | 152.5 | 158.1 | -68.3 | 173.6 | 0 | 0 | 0 | 109.3 | L605 I609 W633 P651 I653 G691 R693 | L601-L605 HydrophobicContact CD2-CD2 3.9Å; L601-I609 HydrophobicContact CD1-CD1 4.36Å; L601-W633 HydrophobicContact CD2-CZ2 4.43Å; L601-P651 WeakPolarHBondContact CD1-O 3.19Å; L601-I653 HydrophobicContact CD1-CD1 4.31Å; L601-I653 HydrophobicContact CD1-CG1 4.28Å; L601-I653 HydrophobicContact CD2-CD1 3.64Å; L601-I653 HydrophobicContact CD2-CG1 4.21Å; L601-G691 PolarHBondContact N-O 3.44Å; L601-R693 HydrophobicContact CD2-CB 3.78Å; L601-R693 HydrophobicContact CG-CB 4.11Å |
| 602 | S | 93.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 40 Ų | 40 | 34% | 0.336 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -64.9 | 148.4 | 168.5 | 64.8 | 0 | 0 | 0 | 0 | 110.3 | E604 L605 A606 | S602-E604 WeakPolarHBondContact CB-OE2 3.45Å; S602-E604 PolarHBondContact O-N 2.64Å; S602-L605 PolarHBondContact O-N 3.4Å; S602-L605 VanDerWaalsContact OG-CB 3.27Å; S602-L605 WeakPolarHBondContact OG-CB 3.38Å; S602-L605 PolarHBondContact OG-N 2.66Å; S602-A606 PolarHBondContact O-N 3.19Å |
| 603 | E | 91.3 | Very high | 93.4 | Very high | 75 Ų | 75 | 44.8 Ų | 44.8 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.7 | -34.7 | -178.8 | -176.9 | 54.7 | -147.3 | 0 | 0 | 111.1 | A606 K607 R690 | E603-A606 PolarHBondContact O-N 3.23Å; E603-K607 WeakPolarHBondContact O-CB 3.41Å; E603-K607 PolarHBondContact O-N 2.98Å; E603-R690 VanDerWaalsContact CD-NH1 3.28Å; E603-R690 IonicContact OE1-CZ 3.51Å; E603-R690 VanDerWaalsContact OE1-CZ 3.32Å; E603-R690 IonicContact OE1-NH1 2.66Å; E603-R690 PolarHBondContact OE1-NH1 2.82Å; E603-R690 IonicContact OE1-NH2 2.91Å; E603-R690 PolarHBondContact OE1-NH2 3.31Å; E603-R690 IonicContact OE2-CZ 3.63Å; E603-R690 IonicContact OE2-NH1 2.94Å; E603-R690 PolarHBondContact OE2-NH1 2.89Å; E603-R690 IonicContact OE2-NH2 2.85Å |
| 604 | E | 93.5 | Very high | 93.1 | Very high | 122 Ų | 122 | 41.3 Ų | 41.3 | 57% | 0.57 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.6 | -42.4 | 176.2 | -58.9 | 79.3 | -172.3 | 0 | 0 | 111.5 | S602 K607 D608 Y631 | S602-E604 WeakPolarHBondContact CB-OE2 3.45Å; S602-E604 PolarHBondContact O-N 2.64Å; E604-K607 PolarHBondContact O-N 2.85Å; E604-D608 WeakPolarHBondContact O-CB 3.47Å; E604-D608 PolarHBondContact O-N 3.3Å; E604-Y631 HydrophobicContact CB-CE1 3.98Å; E604-Y631 PolarHBondContact O-OH 2.97Å |
| 605 | L | 95.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.2 | -40.2 | 177.3 | 178.2 | 53.5 | 0 | 0 | 0 | 111.2 | L601 S602 K607 D608 I609 V614 L627 Y631 W633 | L601-L605 HydrophobicContact CD2-CD2 3.9Å; S602-L605 PolarHBondContact O-N 3.4Å; S602-L605 VanDerWaalsContact OG-CB 3.27Å; S602-L605 WeakPolarHBondContact OG-CB 3.38Å; S602-L605 PolarHBondContact OG-N 2.66Å; L605-K607 VanDerWaalsContact C-N 3.29Å; L605-K607 PolarHBondContact O-N 3.36Å; L605-D608 PolarHBondContact O-N 3.4Å; L605-I609 HydrophobicContact CD1-CD1 4.19Å; L605-I609 HydrophobicContact CD1-CG1 4.26Å; L605-I609 HydrophobicContact CG-CD1 4.16Å; L605-I609 VanDerWaalsContact O-CG1 3.28Å; L605-I609 WeakPolarHBondContact O-CG1 3.29Å; L605-I609 PolarHBondContact O-N 3.01Å; L605-V614 HydrophobicContact CD1-CG2 4.25Å; L605-L627 HydrophobicContact CD1-CD2 3.66Å; L605-L627 HydrophobicContact CD2-CD2 4.16Å; L605-Y631 HydrophobicContact CB-CD1 3.92Å; L605-Y631 HydrophobicContact CB-CE1 3.65Å; L605-Y631 HydrophobicContact CB-CE2 4.29Å; L605-Y631 HydrophobicContact CB-CG 4.35Å; L605-Y631 HydrophobicContact CD1-CD2 3.88Å; L605-Y631 HydrophobicContact CD1-CE2 3.73Å; L605-Y631 HydrophobicContact CD1-CG 4.4Å; L605-Y631 HydrophobicContact CD2-CG 4.36Å; L605-W633 HydrophobicContact CD2-CZ2 4.35Å |
| 606 | A | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -43.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S602 E603 I609 D610 P651 | S602-A606 PolarHBondContact O-N 3.19Å; E603-A606 PolarHBondContact O-N 3.23Å; A606-I609 PolarHBondContact O-N 3.16Å; A606-D610 PolarHBondContact O-N 3.44Å; A606-P651 HydrophobicContact CB-CB 4.07Å; A606-P651 WeakPolarHBondContact O-CB 3.39Å |
| 607 | K | 91 | Very high | 91 | Very high | 112 Ų | 112 | 50.5 Ų | 50.5 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 174.9 | -175.9 | 175 | -178.1 | 171.2 | 0 | 112.6 | E603 E604 L605 I609 D610 D611 | E603-K607 WeakPolarHBondContact O-CB 3.41Å; E603-K607 PolarHBondContact O-N 2.98Å; E604-K607 PolarHBondContact O-N 2.85Å; L605-K607 VanDerWaalsContact C-N 3.29Å; L605-K607 PolarHBondContact O-N 3.36Å; K607-I609 PolarHBondContact O-N 2.91Å; K607-D610 PolarHBondContact O-N 2.84Å; K607-D611 WeakPolarHBondContact O-CB 3.27Å; K607-D611 PolarHBondContact O-N 3.14Å |
| 608 | D | 92.7 | Very high | 90.2 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.064 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -30.8 | 176.8 | -88.3 | 0.4 | 0 | 0 | 0 | 112.9 | E604 L605 G612 K613 V614 Y626 Y631 | E604-D608 WeakPolarHBondContact O-CB 3.47Å; E604-D608 PolarHBondContact O-N 3.3Å; L605-D608 PolarHBondContact O-N 3.4Å; D608-G612 PolarHBondContact O-N 3.37Å; D608-K613 HydrophobicContact CB-CB 4.22Å; D608-K613 WeakPolarHBondContact O-CA 3.19Å; D608-K613 WeakPolarHBondContact O-CB 3.5Å; D608-K613 PolarHBondContact O-N 3.2Å; D608-K613 WeakPolarHBondContact OD1-CD 3.28Å; D608-K613 WeakPolarHBondContact OD1-CE 3.42Å; D608-K613 IonicContact OD1-NZ 3.72Å; D608-K613 PolarHBondContact OD1-NZ 2.94Å; D608-V614 HydrophobicContact CB-CG2 4.41Å; D608-V614 PolarHBondContact O-N 2.84Å; D608-Y626 WeakPolarHBondContact OD2-CE1 3.48Å; D608-Y626 PolarHBondContact OD2-OH 2.95Å; D608-Y631 PolarHBondContact OD2-OH 3.33Å |
| 609 | I | 92.4 | Very high | 89.7 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.6 | -47.4 | 172.4 | -63.1 | 161.7 | 0 | 0 | 0 | 110.7 | L601 L605 A606 K607 D611 G612 V614 F644 P651 I653 | L601-I609 HydrophobicContact CD1-CD1 4.36Å; L605-I609 HydrophobicContact CD1-CD1 4.19Å; L605-I609 HydrophobicContact CD1-CG1 4.26Å; L605-I609 HydrophobicContact CG-CD1 4.16Å; L605-I609 VanDerWaalsContact O-CG1 3.28Å; L605-I609 WeakPolarHBondContact O-CG1 3.29Å; L605-I609 PolarHBondContact O-N 3.01Å; A606-I609 PolarHBondContact O-N 3.16Å; K607-I609 PolarHBondContact O-N 2.91Å; I609-D611 VanDerWaalsContact C-N 3.27Å; I609-D611 PolarHBondContact O-N 3.07Å; I609-G612 WeakPolarHBondContact O-CA 3.47Å; I609-G612 PolarHBondContact O-N 2.78Å; I609-V614 WeakPolarHBondContact CA-O 3.45Å; I609-V614 HydrophobicContact CG1-CB 3.87Å; I609-V614 HydrophobicContact CG1-CG1 4.06Å; I609-F644 HydrophobicContact CD1-CD1 4.16Å; I609-F644 HydrophobicContact CD1-CE1 3.84Å; I609-F644 HydrophobicContact CG1-CD1 4.32Å; I609-F644 HydrophobicContact CG1-CE1 3.9Å; I609-F644 HydrophobicContact CG2-CD1 3.81Å; I609-F644 HydrophobicContact CG2-CE1 4.17Å; I609-P651 HydrophobicContact CB-CB 4.06Å; I609-P651 HydrophobicContact CD1-CB 4.45Å; I609-P651 HydrophobicContact CG2-CB 4.1Å; I609-I653 HydrophobicContact CD1-CG2 4.43Å |
| 610 | D | 87 | Confident | 89.3 | Confident | 78 Ų | 78 | 56.4 Ų | 56.4 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56 | -42.1 | 176.2 | -75.4 | -35.6 | 0 | 0 | 0 | 111.2 | A606 K607 G612 P651 R690 | A606-D610 PolarHBondContact O-N 3.44Å; K607-D610 PolarHBondContact O-N 2.84Å; D610-G612 PolarHBondContact O-N 2.68Å; D610-P651 VanDerWaalsContact OD1-CD 3.3Å; D610-P651 WeakPolarHBondContact OD1-CD 2.98Å; D610-P651 WeakPolarHBondContact OD1-CG 3.41Å; D610-R690 IonicContact OD2-CZ 3.7Å; D610-R690 IonicContact OD2-NE 3.7Å; D610-R690 PolarHBondContact OD2-NE 2.74Å; D610-R690 IonicContact OD2-NH2 2.96Å; D610-R690 PolarHBondContact OD2-NH2 3.39Å |
| 611 | D | 83.1 | Confident | 89 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -15.1 | 176.8 | -69.8 | -18.1 | 0 | 0 | 0 | 112.7 | K490 K607 I609 K613 | K490-D611 PolarHBondContact NZ-O 3.17Å; K607-D611 WeakPolarHBondContact O-CB 3.27Å; K607-D611 PolarHBondContact O-N 3.14Å; I609-D611 VanDerWaalsContact C-N 3.27Å; I609-D611 PolarHBondContact O-N 3.07Å; D611-K613 HydrophobicContact CB-CG 4.31Å |
| 612 | G | 83.4 | Confident | 88.8 | Confident | 24 Ų | 24 | 64.2 Ų | 64.2 | 25% | 0.247 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 20.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D608 I609 D610 | D608-G612 PolarHBondContact O-N 3.37Å; I609-G612 WeakPolarHBondContact O-CA 3.47Å; I609-G612 PolarHBondContact O-N 2.78Å; D610-G612 PolarHBondContact O-N 2.68Å |
| 613 | K | 86.1 | Confident | 88.8 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -68.5 | -26.9 | 167.6 | -58.8 | -170.4 | -155.8 | 150 | 0 | 111.5 | D608 D611 Q618 | D608-K613 HydrophobicContact CB-CB 4.22Å; D608-K613 WeakPolarHBondContact O-CA 3.19Å; D608-K613 WeakPolarHBondContact O-CB 3.5Å; D608-K613 PolarHBondContact O-N 3.2Å; D608-K613 WeakPolarHBondContact OD1-CD 3.28Å; D608-K613 WeakPolarHBondContact OD1-CE 3.42Å; D608-K613 IonicContact OD1-NZ 3.72Å; D608-K613 PolarHBondContact OD1-NZ 2.94Å; D611-K613 HydrophobicContact CB-CG 4.31Å; K613-Q618 PolarHBondContact O-NE2 2.9Å; K613-Q618 PolarHBondContact O-OE1 2.9Å |
| 614 | V | 90.2 | Very high | 89 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -121.4 | 118 | 168.5 | 180 | 0 | 0 | 0 | 0 | 107.4 | L605 D608 I609 R623 Y626 L627 F644 | L605-V614 HydrophobicContact CD1-CG2 4.25Å; D608-V614 HydrophobicContact CB-CG2 4.41Å; D608-V614 PolarHBondContact O-N 2.84Å; I609-V614 WeakPolarHBondContact CA-O 3.45Å; I609-V614 HydrophobicContact CG1-CB 3.87Å; I609-V614 HydrophobicContact CG1-CG1 4.06Å; V614-R623 HydrophobicContact CG1-CG 4.08Å; V614-Y626 HydrophobicContact CG2-CD1 3.37Å; V614-Y626 HydrophobicContact CG2-CE1 3.42Å; V614-Y626 VanDerWaalsContact CG2-CE1 3.42Å; V614-Y626 HydrophobicContact CG2-CG 4.43Å; V614-L627 HydrophobicContact CG1-CD2 4.31Å; V614-L627 HydrophobicContact CG2-CD2 4.5Å; V614-F644 HydrophobicContact CG1-CE1 3.87Å; V614-F644 HydrophobicContact CG1-CZ 3.63Å |
| 615 | S | 87.8 | Confident | 89 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | trans | -146 | 167.3 | -177.9 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | N617 R623 | S615-N617 PolarHBondContact O-N 3.32Å; S615-R623 WeakPolarHBondContact O-CD 3.46Å; S615-R623 PolarHBondContact O-NH1 2.81Å | ||
| 616 | A | 82.6 | Confident | 88.9 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 30% | 0.298 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -28.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F644 | A616-F644 HydrophobicContact CB-CD2 3.94Š|
| 617 | N | 79.5 | Confident | 89 | Confident | 159 Ų | 159 | 63.6 Ų | 63.6 | 85% | 0.85 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -8.1 | -172 | -62.4 | -15.4 | 0 | 0 | 0 | 113.8 | S615 | S615-N617 PolarHBondContact O-N 3.32Š|
| 618 | Q | 81.8 | Confident | 89.2 | Confident | 65 Ų | 65 | 61 Ų | 61 | 30% | 0.304 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -75.1 | 152.5 | 176.8 | -73.4 | 171.3 | -31.4 | 0 | 0 | 111.8 | K613 V620 R623 | K613-Q618 PolarHBondContact O-NE2 2.9Å; K613-Q618 PolarHBondContact O-OE1 2.9Å; Q618-V620 PolarHBondContact O-N 2.85Å; Q618-R623 HydrophobicContact CB-CB 4.17Å |
| 619 | D | 87.8 | Confident | 89.3 | Confident | 90 Ų | 90 | 65.9 Ų | 65.9 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | trans | -56.1 | 136.1 | 168.6 | -176.3 | -90.2 | 0 | 0 | 0 | 109.9 | K621 D622 R623 | D619-K621 PolarHBondContact O-N 2.83Å; D619-K621 WeakPolarHBondContact OD1-CA 3.43Å; D619-K621 WeakPolarHBondContact OD1-CB 3.26Å; D619-K621 PolarHBondContact OD1-N 3.01Å; D619-D622 HydrophobicContact CB-CB 4.46Å; D619-D622 PolarHBondContact O-N 2.61Å; D619-R623 WeakPolarHBondContact O-CB 3.4Å; D619-R623 PolarHBondContact O-N 3.42Å | ||
| 620 | V | 89.3 | Confident | 89.4 | Confident | 66 Ų | 66 | 70 Ų | 70 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.6 | -35 | -175 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | Q618 S624 | Q618-V620 PolarHBondContact O-N 2.85Å; V620-S624 WeakPolarHBondContact O-CB 3.46Å; V620-S624 PolarHBondContact O-N 2.93Å; V620-S624 PolarHBondContact O-OG 3.41Å |
| 621 | K | 91.6 | Very high | 89.8 | Confident | 145 Ų | 145 | 69 Ų | 69 | 63% | 0.63 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -70.9 | -44.8 | -179.7 | -61.5 | 175.6 | -179.7 | 170.5 | 0 | 111.5 | D619 S624 R625 | D619-K621 PolarHBondContact O-N 2.83Å; D619-K621 WeakPolarHBondContact OD1-CA 3.43Å; D619-K621 WeakPolarHBondContact OD1-CB 3.26Å; D619-K621 PolarHBondContact OD1-N 3.01Å; K621-S624 PolarHBondContact O-N 2.86Å; K621-R625 WeakPolarHBondContact O-CB 3.43Å; K621-R625 PolarHBondContact O-N 3.16Å |
| 622 | D | 92.1 | Very high | 90.3 | Very high | 96 Ų | 96 | 68.5 Ų | 68.5 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.7 | -45.2 | -179.7 | -67.7 | -24.8 | 0 | 0 | 0 | 110.7 | D619 S624 R625 Y626 | D619-D622 HydrophobicContact CB-CB 4.46Å; D619-D622 PolarHBondContact O-N 2.61Å; D622-S624 VanDerWaalsContact C-N 3.34Å; D622-S624 PolarHBondContact O-N 2.87Å; D622-R625 PolarHBondContact O-N 2.81Å; D622-Y626 PolarHBondContact O-N 3.2Å |
| 623 | R | 93.6 | Very high | 90.7 | Very high | 15 Ų | 15 | 68.6 Ų | 68.6 | 6% | 0.057 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 173.1 | -174.2 | -179.5 | 71 | -153.2 | 2.3 | 111.8 | V614 S615 Q618 D619 R625 Y626 L627 | V614-R623 HydrophobicContact CG1-CG 4.08Å; S615-R623 WeakPolarHBondContact O-CD 3.46Å; S615-R623 PolarHBondContact O-NH1 2.81Å; Q618-R623 HydrophobicContact CB-CB 4.17Å; D619-R623 WeakPolarHBondContact O-CB 3.4Å; D619-R623 PolarHBondContact O-N 3.42Å; R623-R625 VanDerWaalsContact C-N 3.34Å; R623-R625 PolarHBondContact O-N 3.24Å; R623-Y626 PolarHBondContact O-N 2.88Å; R623-L627 WeakPolarHBondContact O-CG 3.42Å; R623-L627 PolarHBondContact O-N 3.32Å; R623-L627 VanDerWaalsContact O-N 3.1Å |
| 624 | S | 93.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.014 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 179.3 | -61 | 0 | 0 | 0 | 0 | 111.2 | V620 K621 D622 Y626 L627 I628 A638 R639 | V620-S624 WeakPolarHBondContact O-CB 3.46Å; V620-S624 PolarHBondContact O-N 2.93Å; V620-S624 PolarHBondContact O-OG 3.41Å; K621-S624 PolarHBondContact O-N 2.86Å; D622-S624 VanDerWaalsContact C-N 3.34Å; D622-S624 PolarHBondContact O-N 2.87Å; S624-Y626 VanDerWaalsContact C-N 3.35Å; S624-Y626 PolarHBondContact O-N 2.79Å; S624-L627 PolarHBondContact O-N 2.95Å; S624-I628 VanDerWaalsContact O-CD1 3.32Å; S624-I628 WeakPolarHBondContact O-CD1 3.5Å; S624-I628 WeakPolarHBondContact O-CG1 3.3Å; S624-I628 PolarHBondContact O-N 3.25Å; S624-A638 PolarHBondContact OG-O 2.75Å; S624-R639 WeakPolarHBondContact OG-CA 3.44Å; S624-R639 WeakPolarHBondContact OG-CG 3.45Å; S624-R639 PolarHBondContact OG-N 2.88Å |
| 625 | R | 94.5 | Very high | 91.2 | Very high | 151 Ų | 151 | 69.9 Ų | 69.9 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.4 | -44.9 | 176.9 | -176 | -178.6 | -66.1 | 155.2 | -0.5 | 111.1 | K621 D622 R623 L627 I628 D629 | K621-R625 WeakPolarHBondContact O-CB 3.43Å; K621-R625 PolarHBondContact O-N 3.16Å; D622-R625 PolarHBondContact O-N 2.81Å; R623-R625 VanDerWaalsContact C-N 3.34Å; R623-R625 PolarHBondContact O-N 3.24Å; R625-L627 VanDerWaalsContact C-N 3.32Å; R625-L627 PolarHBondContact O-N 3.26Å; R625-I628 PolarHBondContact O-N 3.07Å; R625-D629 WeakPolarHBondContact CG-OD2 3.18Å; R625-D629 WeakPolarHBondContact O-CB 3.3Å; R625-D629 VanDerWaalsContact O-CG 3.27Å; R625-D629 PolarHBondContact O-N 2.93Å |
| 626 | Y | 94 | Very high | 91.4 | Very high | 64 Ų | 64 | 72.3 Ų | 72.3 | 25% | 0.251 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 177.2 | -170.9 | -89.6 | 0 | 0 | 0 | 112.5 | D608 V614 D622 R623 S624 N630 Y631 | D608-Y626 WeakPolarHBondContact OD2-CE1 3.48Å; D608-Y626 PolarHBondContact OD2-OH 2.95Å; V614-Y626 HydrophobicContact CG2-CD1 3.37Å; V614-Y626 HydrophobicContact CG2-CE1 3.42Å; V614-Y626 VanDerWaalsContact CG2-CE1 3.42Å; V614-Y626 HydrophobicContact CG2-CG 4.43Å; D622-Y626 PolarHBondContact O-N 3.2Å; R623-Y626 PolarHBondContact O-N 2.88Å; S624-Y626 VanDerWaalsContact C-N 3.35Å; S624-Y626 PolarHBondContact O-N 2.79Å; Y626-N630 VanDerWaalsContact CD2-ND2 3.31Å; Y626-N630 WeakPolarHBondContact CD2-ND2 3.18Å; Y626-N630 WeakPolarHBondContact CE2-ND2 3.3Å; Y626-N630 WeakPolarHBondContact O-CB 3.22Å; Y626-N630 PolarHBondContact O-N 2.98Å; Y626-N630 PolarHBondContact O-ND2 2.85Å; Y626-Y631 HydrophobicContact CD1-CE2 4.38Å; Y626-Y631 AromaticContact CE1-CE2 3.82Å; Y626-Y631 HydrophobicContact CE1-CE2 3.82Å |
| 627 | L | 95.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.2 | -39 | 176.7 | -68.8 | 174 | 0 | 0 | 0 | 112.6 | L605 V614 R623 S624 R625 Y631 G632 W633 A638 L641 | L605-L627 HydrophobicContact CD1-CD2 3.66Å; L605-L627 HydrophobicContact CD2-CD2 4.16Å; V614-L627 HydrophobicContact CG1-CD2 4.31Å; V614-L627 HydrophobicContact CG2-CD2 4.5Å; R623-L627 WeakPolarHBondContact O-CG 3.42Å; R623-L627 PolarHBondContact O-N 3.32Å; R623-L627 VanDerWaalsContact O-N 3.1Å; S624-L627 PolarHBondContact O-N 2.95Å; R625-L627 VanDerWaalsContact C-N 3.32Å; R625-L627 PolarHBondContact O-N 3.26Å; L627-Y631 HydrophobicContact CD2-CD2 4.39Å; L627-Y631 CarbonylContact O-C 3.53Å; L627-Y631 WeakPolarHBondContact O-CA 3.35Å; L627-Y631 WeakPolarHBondContact O-CB 3.42Å; L627-Y631 PolarHBondContact O-N 3.34Å; L627-Y631 VanDerWaalsContact O-N 3.1Å; L627-G632 PolarHBondContact O-N 2.83Å; L627-W633 HydrophobicContact CB-CB 3.97Å; L627-W633 HydrophobicContact CB-CD2 4.17Å; L627-W633 HydrophobicContact CB-CG 3.83Å; L627-W633 HydrophobicContact CD1-CD2 4.24Å; L627-W633 HydrophobicContact CD1-CE3 4.15Å; L627-W633 HydrophobicContact CD1-CZ3 4.47Å; L627-W633 PolarHBondContact O-N 3.39Å; L627-A638 HydrophobicContact CB-CB 4.33Å; L627-A638 HydrophobicContact CD1-CB 4.37Å; L627-L641 HydrophobicContact CD1-CD1 4.07Å |
| 628 | I | 95 | Very high | 92.6 | Very high | 57 Ų | 57 | 65.5 Ų | 65.5 | 29% | 0.292 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.3 | -51.8 | 177.5 | -64.7 | 158.7 | 0 | 0 | 0 | 109.9 | S624 R625 G632 W633 A635 A638 | S624-I628 VanDerWaalsContact O-CD1 3.32Å; S624-I628 WeakPolarHBondContact O-CD1 3.5Å; S624-I628 WeakPolarHBondContact O-CG1 3.3Å; S624-I628 PolarHBondContact O-N 3.25Å; R625-I628 PolarHBondContact O-N 3.07Å; I628-G632 VanDerWaalsContact O-CA 3.31Å; I628-G632 WeakPolarHBondContact O-CA 3.33Å; I628-G632 PolarHBondContact O-N 3.17Å; I628-W633 WeakPolarHBondContact CG1-O 3.42Å; I628-A635 HydrophobicContact CD1-CB 3.82Å; I628-A638 HydrophobicContact CG1-CB 4.24Å |
| 629 | D | 94.9 | Very high | 93.1 | Very high | 115 Ų | 115 | 70.3 Ų | 70.3 | 62% | 0.615 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -72.8 | -37.2 | -170.1 | -65.5 | -10.5 | 0 | 0 | 0 | 112.5 | R625 | R625-D629 WeakPolarHBondContact CG-OD2 3.18Å; R625-D629 WeakPolarHBondContact O-CB 3.3Å; R625-D629 VanDerWaalsContact O-CG 3.27Å; R625-D629 PolarHBondContact O-N 2.93Å |
| 630 | N | 95.2 | Very high | 93.4 | Very high | 93 Ų | 93 | 69.3 Ų | 69.3 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -98.5 | -25.9 | -175.2 | -59.3 | -79.6 | 0 | 0 | 0 | 113.8 | Y626 | Y626-N630 VanDerWaalsContact CD2-ND2 3.31Å; Y626-N630 WeakPolarHBondContact CD2-ND2 3.18Å; Y626-N630 WeakPolarHBondContact CE2-ND2 3.3Å; Y626-N630 WeakPolarHBondContact O-CB 3.22Å; Y626-N630 PolarHBondContact O-N 2.98Å; Y626-N630 PolarHBondContact O-ND2 2.85Å |
| 631 | Y | 94.6 | Very high | 93.7 | Very high | 59 Ų | 59 | 66.5 Ų | 66.5 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -127.3 | 5.4 | -172.7 | -61.7 | -76.1 | 0 | 0 | 0 | 113.8 | E604 L605 D608 Y626 L627 W633 | E604-Y631 HydrophobicContact CB-CE1 3.98Å; E604-Y631 PolarHBondContact O-OH 2.97Å; L605-Y631 HydrophobicContact CB-CD1 3.92Å; L605-Y631 HydrophobicContact CB-CE1 3.65Å; L605-Y631 HydrophobicContact CB-CE2 4.29Å; L605-Y631 HydrophobicContact CB-CG 4.35Å; L605-Y631 HydrophobicContact CD1-CD2 3.88Å; L605-Y631 HydrophobicContact CD1-CE2 3.73Å; L605-Y631 HydrophobicContact CD1-CG 4.4Å; L605-Y631 HydrophobicContact CD2-CG 4.36Å; D608-Y631 PolarHBondContact OD2-OH 3.33Å; Y626-Y631 HydrophobicContact CD1-CE2 4.38Å; Y626-Y631 AromaticContact CE1-CE2 3.82Å; Y626-Y631 HydrophobicContact CE1-CE2 3.82Å; L627-Y631 HydrophobicContact CD2-CD2 4.39Å; L627-Y631 CarbonylContact O-C 3.53Å; L627-Y631 WeakPolarHBondContact O-CA 3.35Å; L627-Y631 WeakPolarHBondContact O-CB 3.42Å; L627-Y631 PolarHBondContact O-N 3.34Å; L627-Y631 VanDerWaalsContact O-N 3.1Å; Y631-W633 VanDerWaalsContact C-N 3.3Å; Y631-W633 PolarHBondContact O-N 2.97Å |
| 632 | G | 92.7 | Very high | 93.8 | Very high | 66 Ų | 66 | 61.1 Ų | 61.1 | 68% | 0.68 | 31% | 0.309 | S | S | * | . | trans | 66.8 | 26.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L627 I628 | L627-G632 PolarHBondContact O-N 2.83Å; I628-G632 VanDerWaalsContact O-CA 3.31Å; I628-G632 WeakPolarHBondContact O-CA 3.33Å; I628-G632 PolarHBondContact O-N 3.17Å | ||
| 633 | W | 93.2 | Very high | 94 | Very high | 26 Ų | 26 | 57 Ų | 57 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | trans | -66.5 | 147.9 | 179.9 | -85.1 | 51.7 | 0 | 0 | 0 | 112.9 | L601 L605 L627 I628 Y631 E637 A638 I653 V655 | L601-W633 HydrophobicContact CD2-CZ2 4.43Å; L605-W633 HydrophobicContact CD2-CZ2 4.35Å; L627-W633 HydrophobicContact CB-CB 3.97Å; L627-W633 HydrophobicContact CB-CD2 4.17Å; L627-W633 HydrophobicContact CB-CG 3.83Å; L627-W633 HydrophobicContact CD1-CD2 4.24Å; L627-W633 HydrophobicContact CD1-CE3 4.15Å; L627-W633 HydrophobicContact CD1-CZ3 4.47Å; L627-W633 PolarHBondContact O-N 3.39Å; I628-W633 WeakPolarHBondContact CG1-O 3.42Å; Y631-W633 VanDerWaalsContact C-N 3.3Å; Y631-W633 PolarHBondContact O-N 2.97Å; W633-E637 HydrophobicContact CE3-CB 4.27Å; W633-E637 HydrophobicContact CZ3-CB 4.42Å; W633-A638 HydrophobicContact CB-CB 4.23Å; W633-A638 HydrophobicContact CE3-CB 4.1Å; W633-I653 HydrophobicContact CH2-CD1 3.22Å; W633-I653 HydrophobicContact CH2-CG1 4.43Å; W633-I653 HydrophobicContact CZ2-CD1 3.43Å; W633-I653 VanDerWaalsContact CZ2-CD1 3.43Å; W633-I653 HydrophobicContact CZ3-CD1 4.41Å; W633-V655 HydrophobicContact CH2-CG2 3.75Å; W633-V655 HydrophobicContact CZ3-CG2 3.83Å | ||
| 634 | D | 94.3 | Very high | 94 | Very high | 83 Ų | 83 | 56.3 Ų | 56.3 | 44% | 0.444 | 29% | 0.285 | S | S | . | . | trans | -63.9 | 136.4 | 166.7 | 175.1 | 79.1 | 0 | 0 | 0 | 110.4 | T636 E637 A638 | D634-T636 PolarHBondContact O-N 3.29Å; D634-T636 VanDerWaalsContact OD2-CA 3.26Å; D634-T636 WeakPolarHBondContact OD2-CA 3.17Å; D634-T636 WeakPolarHBondContact OD2-CB 3.38Å; D634-T636 PolarHBondContact OD2-N 2.88Å; D634-T636 PolarHBondContact OD2-OG1 3.23Å; D634-E637 HydrophobicContact CB-CB 4.14Å; D634-E637 HydrophobicContact CB-CG 3.95Å; D634-E637 PolarHBondContact O-N 3.4Å; D634-E637 PolarHBondContact OD2-N 3.21Å; D634-A638 WeakPolarHBondContact O-CB 3.48Å; D634-A638 PolarHBondContact O-N 3.23Å | ||
| 635 | A | 92.1 | Very high | 94 | Very high | 45 Ų | 45 | 56.2 Ų | 56.2 | 37% | 0.372 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.1 | -28.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | I628 R639 | I628-A635 HydrophobicContact CD1-CB 3.82Å; A635-R639 VanDerWaalsContact O-CG 3.28Å; A635-R639 WeakPolarHBondContact O-CG 3.44Å; A635-R639 PolarHBondContact O-N 3.05Å |
| 636 | T | 92 | Very high | 93.8 | Very high | 83 Ų | 83 | 49.5 Ų | 49.5 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -76.1 | -47.3 | 176.8 | -44.9 | 0 | 0 | 0 | 0 | 110.1 | D634 A638 R639 K640 | D634-T636 PolarHBondContact O-N 3.29Å; D634-T636 VanDerWaalsContact OD2-CA 3.26Å; D634-T636 WeakPolarHBondContact OD2-CA 3.17Å; D634-T636 WeakPolarHBondContact OD2-CB 3.38Å; D634-T636 PolarHBondContact OD2-N 2.88Å; D634-T636 PolarHBondContact OD2-OG1 3.23Å; T636-A638 PolarHBondContact O-N 3.18Å; T636-R639 PolarHBondContact O-N 2.76Å; T636-K640 HydrophobicContact CG2-CD 4.07Å; T636-K640 WeakPolarHBondContact O-CB 3.44Å; T636-K640 WeakPolarHBondContact O-CG 3.35Å; T636-K640 PolarHBondContact O-N 3.48Å |
| 637 | E | 93.8 | Very high | 93.4 | Very high | 53 Ų | 53 | 52.2 Ų | 52.2 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 177.9 | -65.2 | -171.5 | 160.9 | 0 | 0 | 112 | W633 D634 R639 K640 L641 V655 T657 R693 | W633-E637 HydrophobicContact CE3-CB 4.27Å; W633-E637 HydrophobicContact CZ3-CB 4.42Å; D634-E637 HydrophobicContact CB-CB 4.14Å; D634-E637 HydrophobicContact CB-CG 3.95Å; D634-E637 PolarHBondContact O-N 3.4Å; D634-E637 PolarHBondContact OD2-N 3.21Å; E637-R639 VanDerWaalsContact C-N 3.27Å; E637-R639 PolarHBondContact O-N 2.91Å; E637-K640 CarbonylContact O-C 3.5Å; E637-K640 WeakPolarHBondContact O-CA 3.48Å; E637-K640 PolarHBondContact O-N 2.82Å; E637-L641 PolarHBondContact O-N 3.41Å; E637-L641 VanDerWaalsContact O-N 3.12Å; E637-V655 HydrophobicContact CB-CG1 4.03Å; E637-V655 WeakPolarHBondContact O-CG1 3.41Å; E637-T657 HydrophobicContact CG-CG2 4.37Å; E637-R693 IonicContact OE1-NH2 3.71Å; E637-R693 PolarHBondContact OE1-NH2 3.33Å; E637-R693 IonicContact OE2-CZ 3.61Å; E637-R693 IonicContact OE2-NH1 3.47Å; E637-R693 PolarHBondContact OE2-NH1 2.82Å; E637-R693 VanDerWaalsContact OE2-NH1 3.11Å; E637-R693 IonicContact OE2-NH2 2.76Å; E637-R693 PolarHBondContact OE2-NH2 3.34Å |
| 638 | A | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.7 | -39.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | S624 L627 I628 W633 D634 T636 | S624-A638 PolarHBondContact OG-O 2.75Å; L627-A638 HydrophobicContact CB-CB 4.33Å; L627-A638 HydrophobicContact CD1-CB 4.37Å; I628-A638 HydrophobicContact CG1-CB 4.24Å; W633-A638 HydrophobicContact CB-CB 4.23Å; W633-A638 HydrophobicContact CE3-CB 4.1Å; D634-A638 WeakPolarHBondContact O-CB 3.48Å; D634-A638 PolarHBondContact O-N 3.23Å; T636-A638 PolarHBondContact O-N 3.18Å |
| 639 | R | 92.9 | Very high | 92.5 | Very high | 165 Ų | 165 | 56.6 Ų | 56.6 | 62% | 0.623 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -74.6 | -25.4 | 176 | -70.7 | 177.6 | -174.3 | -152.6 | 4.3 | 113.4 | S624 A635 T636 E637 | S624-R639 WeakPolarHBondContact OG-CA 3.44Å; S624-R639 WeakPolarHBondContact OG-CG 3.45Å; S624-R639 PolarHBondContact OG-N 2.88Å; A635-R639 VanDerWaalsContact O-CG 3.28Å; A635-R639 WeakPolarHBondContact O-CG 3.44Å; A635-R639 PolarHBondContact O-N 3.05Å; T636-R639 PolarHBondContact O-N 2.76Å; E637-R639 VanDerWaalsContact C-N 3.27Å; E637-R639 PolarHBondContact O-N 2.91Å |
| 640 | K | 94.4 | Very high | 92.2 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 30% | 0.3 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 12.9 | -178.7 | -74.3 | -172.8 | 167.6 | -147.9 | 0 | 113.7 | T636 E637 W642 D656 T658 | T636-K640 HydrophobicContact CG2-CD 4.07Å; T636-K640 WeakPolarHBondContact O-CB 3.44Å; T636-K640 WeakPolarHBondContact O-CG 3.35Å; T636-K640 PolarHBondContact O-N 3.48Å; E637-K640 CarbonylContact O-C 3.5Å; E637-K640 WeakPolarHBondContact O-CA 3.48Å; E637-K640 PolarHBondContact O-N 2.82Å; K640-W642 PolarHBondContact O-N 2.74Å; K640-D656 HydrophobicContact CB-CB 4.15Å; K640-D656 WeakPolarHBondContact CB-O 3.16Å; K640-D656 HydrophobicContact CD-CB 4.29Å; K640-D656 WeakPolarHBondContact CD-O 3.32Å; K640-D656 WeakPolarHBondContact CD-OD2 3.35Å; K640-D656 WeakPolarHBondContact CE-OD2 3.48Å; K640-D656 IonicContact NZ-OD2 3.75Å; K640-D656 PolarHBondContact NZ-OD2 3.42Å; K640-D656 PolarHBondContact O-N 3.26Å; K640-T658 PolarHBondContact NZ-O 3.37Å |
| 641 | L | 94.7 | Very high | 92.1 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 116.5 | 165.9 | -171.1 | 163.7 | 0 | 0 | 0 | 109.3 | L627 E637 F644 I653 | L627-L641 HydrophobicContact CD1-CD1 4.07Å; E637-L641 PolarHBondContact O-N 3.41Å; E637-L641 VanDerWaalsContact O-N 3.12Å; L641-F644 HydrophobicContact CD1-CE1 4.26Å; L641-F644 HydrophobicContact CD1-CE2 4.33Å; L641-F644 HydrophobicContact CD1-CZ 3.76Å; L641-F644 HydrophobicContact CD2-CD2 4.1Å; L641-F644 HydrophobicContact CD2-CE2 3.63Å; L641-F644 HydrophobicContact CD2-CZ 3.91Å; L641-I653 HydrophobicContact CD1-CB 4.32Å; L641-I653 HydrophobicContact CD1-CD1 4.3Å; L641-I653 HydrophobicContact CD1-CG2 4.05Å; L641-I653 HydrophobicContact CG-CB 4.36Å; L641-I653 HydrophobicContact CG-CG2 4.46Å |
| 642 | W | 94.6 | Very high | 92.3 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -47.3 | -174.4 | -77.8 | 7.3 | 0 | 0 | 0 | 113.3 | K640 V654 D656 L664 K668 V671 V672 L696 | K640-W642 PolarHBondContact O-N 2.74Å; W642-V654 HydrophobicContact CB-CG1 4.1Å; W642-V654 PolarHBondContact N-O 3.35Å; W642-D656 HydrophobicContact CD2-CB 4.5Å; W642-D656 HydrophobicContact CZ2-CB 3.74Å; W642-D656 VanDerWaalsContact NE1-CB 3.3Å; W642-L664 HydrophobicContact CH2-CD1 3.9Å; W642-L664 HydrophobicContact CH2-CD2 4.48Å; W642-L664 HydrophobicContact CH2-CG 4.04Å; W642-L664 HydrophobicContact CZ2-CD1 4.19Å; W642-L664 HydrophobicContact CZ2-CD2 3.93Å; W642-L664 HydrophobicContact CZ2-CG 3.87Å; W642-K668 HydrophobicContact CD2-CD 4.34Å; W642-K668 HydrophobicContact CD2-CG 3.85Å; W642-K668 HydrophobicContact CE3-CG 3.93Å; W642-K668 HydrophobicContact CG-CD 4.43Å; W642-K668 HydrophobicContact CG-CG 4.31Å; W642-K668 HydrophobicContact CH2-CB 4.41Å; W642-K668 HydrophobicContact CH2-CG 4.48Å; W642-K668 HydrophobicContact CZ2-CG 4.43Å; W642-K668 HydrophobicContact CZ3-CB 4.42Å; W642-K668 HydrophobicContact CZ3-CG 4.25Å; W642-V671 HydrophobicContact CE3-CB 4.35Å; W642-V671 HydrophobicContact CE3-CG1 4.16Å; W642-V671 HydrophobicContact CZ3-CB 3.78Å; W642-V671 HydrophobicContact CZ3-CG1 3.79Å; W642-V671 HydrophobicContact CZ3-CG2 4.16Å; W642-V672 HydrophobicContact CB-CG2 4.39Å; W642-L696 HydrophobicContact CH2-CD2 3.46Å; W642-L696 VanDerWaalsContact CH2-CD2 3.46Å; W642-L696 HydrophobicContact CZ2-CD2 4.17Å; W642-L696 HydrophobicContact CZ3-CD2 3.89Å |
| 643 | C | 94.4 | Very high | 92.5 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 5% | 0.054 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 167.3 | 178 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | I653 V654 V672 F675 | C643-I653 WeakPolarHBondContact O-CA 3.36Å; C643-V654 PolarHBondContact O-N 3.39Å; C643-V654 WeakPolarHBondContact SG-CG1 3.29Å; C643-V672 HydrophobicContact CB-CG1 4.09Å; C643-V672 HydrophobicContact CB-CG2 4.26Å; C643-F675 WeakPolarHBondContact SG-CD1 3.44Å |
| 644 | F | 95.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 158.8 | 169.7 | -66 | -90.8 | 0 | 0 | 0 | 109.5 | I609 V614 A616 L641 N648 N652 I653 Q676 | I609-F644 HydrophobicContact CD1-CD1 4.16Å; I609-F644 HydrophobicContact CD1-CE1 3.84Å; I609-F644 HydrophobicContact CG1-CD1 4.32Å; I609-F644 HydrophobicContact CG1-CE1 3.9Å; I609-F644 HydrophobicContact CG2-CD1 3.81Å; I609-F644 HydrophobicContact CG2-CE1 4.17Å; V614-F644 HydrophobicContact CG1-CE1 3.87Å; V614-F644 HydrophobicContact CG1-CZ 3.63Å; A616-F644 HydrophobicContact CB-CD2 3.94Å; L641-F644 HydrophobicContact CD1-CE1 4.26Å; L641-F644 HydrophobicContact CD1-CE2 4.33Å; L641-F644 HydrophobicContact CD1-CZ 3.76Å; L641-F644 HydrophobicContact CD2-CD2 4.1Å; L641-F644 HydrophobicContact CD2-CE2 3.63Å; L641-F644 HydrophobicContact CD2-CZ 3.91Å; F644-N648 VanDerWaalsContact O-CA 3.26Å; F644-N648 WeakPolarHBondContact O-CA 3.26Å; F644-N652 CarbonylContact C-O 3.49Å; F644-N652 WeakPolarHBondContact CA-O 3.46Å; F644-I653 HydrophobicContact CD1-CG2 3.46Å; F644-I653 VanDerWaalsContact CD1-CG2 3.46Å; F644-I653 HydrophobicContact CE1-CG2 3.49Å; F644-I653 VanDerWaalsContact CE1-CG2 3.49Å; F644-I653 HydrophobicContact CG-CG2 4.29Å; F644-I653 HydrophobicContact CZ-CG2 4.34Å; F644-Q676 PolarHBondContact O-NE2 3.3Å |
| 645 | G | 92.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 153.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G650 N652 | G645-G650 PolarHBondContact N-O 2.83Å; G645-G650 VanDerWaalsContact N-O 3.16Å; G645-G650 CarbonylContact O-C 3.56Å; G645-G650 WeakPolarHBondContact O-CA 3.35Å; G645-N652 PolarHBondContact N-O 2.98Å; G645-N652 VanDerWaalsContact O-CB 3.26Å; G645-N652 WeakPolarHBondContact O-CB 3.43Å; G645-N652 PolarHBondContact O-N 3.15Å; G645-N652 PolarHBondContact O-ND2 3.24Å |
| 646 | P | 90.8 | Very high | 93.1 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 7% | 0.065 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -72.1 | 168.6 | -4.7 | 30 | -34.9 | 0 | 0 | 0 | 112.9 | N648 A649 G650 Q676 T679 K680 H688 | P646-N648 VanDerWaalsContact C-N 3.28Å; P646-N648 PolarHBondContact O-N 3.21Å; P646-A649 PolarHBondContact O-N 3.24Å; P646-G650 PolarHBondContact O-N 2.79Å; P646-Q676 VanDerWaalsContact C-OE1 3.27Å; P646-T679 WeakPolarHBondContact CA-OG1 3.34Å; P646-K680 HydrophobicContact CB-CB 3.86Å; P646-H688 HydrophobicContact CG-CB 4.42Å |
| 647 | E | 84.9 | Confident | 93.3 | Very high | 121 Ų | 121 | 32.4 Ų | 32.4 | 57% | 0.565 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 32.7 | 173.5 | -61 | 173.6 | 175.8 | 0 | 0 | 114.7 | A649 K680 | E647-A649 PolarHBondContact O-N 2.96Å; E647-K680 IonicContact OE1-NZ 3.32Å; E647-K680 PolarHBondContact OE1-NZ 3.04Å |
| 648 | N | 86.4 | Confident | 93.3 | Very high | 82 Ų | 82 | 30.1 Ų | 30.1 | 44% | 0.439 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 12.2 | -177.2 | -71.6 | -34.3 | 0 | 0 | 0 | 115.5 | F644 P646 Q676 | F644-N648 VanDerWaalsContact O-CA 3.26Å; F644-N648 WeakPolarHBondContact O-CA 3.26Å; P646-N648 VanDerWaalsContact C-N 3.28Å; P646-N648 PolarHBondContact O-N 3.21Å; N648-Q676 PolarHBondContact OD1-NE2 2.95Å |
| 649 | A | 84.8 | Confident | 93.3 | Very high | 68 Ų | 68 | 39.1 Ų | 39.1 | 56% | 0.562 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -131 | -23.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P646 E647 | P646-A649 PolarHBondContact O-N 3.24Å; E647-A649 PolarHBondContact O-N 2.96Å |
| 650 | G | 88.2 | Confident | 93.1 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -68.7 | 155.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G645 P646 N652 | G645-G650 PolarHBondContact N-O 2.83Å; G645-G650 VanDerWaalsContact N-O 3.16Å; G645-G650 CarbonylContact O-C 3.56Å; G645-G650 WeakPolarHBondContact O-CA 3.35Å; P646-G650 PolarHBondContact O-N 2.79Å; G650-N652 PolarHBondContact O-N 3.39Å |
| 651 | P | 94.7 | Very high | 92.9 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -78.9 | 48.7 | -175.8 | 36.4 | -41.3 | 0 | 0 | 0 | 112.4 | L601 A606 I609 D610 R690 G691 | L601-P651 WeakPolarHBondContact CD1-O 3.19Å; A606-P651 HydrophobicContact CB-CB 4.07Å; A606-P651 WeakPolarHBondContact O-CB 3.39Å; I609-P651 HydrophobicContact CB-CB 4.06Å; I609-P651 HydrophobicContact CD1-CB 4.45Å; I609-P651 HydrophobicContact CG2-CB 4.1Å; D610-P651 VanDerWaalsContact OD1-CD 3.3Å; D610-P651 WeakPolarHBondContact OD1-CD 2.98Å; D610-P651 WeakPolarHBondContact OD1-CG 3.41Å; P651-R690 HydrophobicContact CG-CB 4.11Å; P651-R690 HydrophobicContact CG-CG 3.58Å; P651-G691 VanDerWaalsContact O-CA 3.29Å; P651-G691 WeakPolarHBondContact O-CA 3.45Å; P651-G691 PolarHBondContact O-N 3.04Å |
| 652 | N | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149.4 | 168.2 | -52 | -78.7 | 0 | 0 | 0 | 107.6 | F644 G645 G650 F675 T679 M689 R690 G691 V692 | F644-N652 CarbonylContact C-O 3.49Å; F644-N652 WeakPolarHBondContact CA-O 3.46Å; G645-N652 PolarHBondContact N-O 2.98Å; G645-N652 VanDerWaalsContact O-CB 3.26Å; G645-N652 WeakPolarHBondContact O-CB 3.43Å; G645-N652 PolarHBondContact O-N 3.15Å; G645-N652 PolarHBondContact O-ND2 3.24Å; G650-N652 PolarHBondContact O-N 3.39Å; N652-F675 HydrophobicContact CB-CE2 4.39Å; N652-F675 HydrophobicContact CB-CZ 3.83Å; N652-T679 HydrophobicContact CB-CG2 3.82Å; N652-M689 VanDerWaalsContact ND2-C 3.25Å; N652-M689 PolarHBondContact ND2-O 3.14Å; N652-R690 VanDerWaalsContact OD1-CA 3.26Å; N652-R690 WeakPolarHBondContact OD1-CA 3.38Å; N652-R690 PolarHBondContact OD1-N 3.32Å; N652-G691 PolarHBondContact OD1-N 2.9Å; N652-G691 VanDerWaalsContact OD1-N 3.17Å; N652-V692 CarbonylContact C-O 3.4Å; N652-V692 WeakPolarHBondContact CA-O 3.37Å; N652-V692 WeakPolarHBondContact CB-O 3.39Å; N652-V692 WeakPolarHBondContact OD1-CB 3.19Å; N652-V692 PolarHBondContact OD1-N 3.31Å |
| 653 | I | 97.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150 | -176.3 | 62.3 | -173.1 | 0 | 0 | 0 | 111.7 | L601 I609 W633 L641 C643 F644 V655 V692 R693 F694 | L601-I653 HydrophobicContact CD1-CD1 4.31Å; L601-I653 HydrophobicContact CD1-CG1 4.28Å; L601-I653 HydrophobicContact CD2-CD1 3.64Å; L601-I653 HydrophobicContact CD2-CG1 4.21Å; I609-I653 HydrophobicContact CD1-CG2 4.43Å; W633-I653 HydrophobicContact CH2-CD1 3.22Å; W633-I653 HydrophobicContact CH2-CG1 4.43Å; W633-I653 HydrophobicContact CZ2-CD1 3.43Å; W633-I653 VanDerWaalsContact CZ2-CD1 3.43Å; W633-I653 HydrophobicContact CZ3-CD1 4.41Å; L641-I653 HydrophobicContact CD1-CB 4.32Å; L641-I653 HydrophobicContact CD1-CD1 4.3Å; L641-I653 HydrophobicContact CD1-CG2 4.05Å; L641-I653 HydrophobicContact CG-CB 4.36Å; L641-I653 HydrophobicContact CG-CG2 4.46Å; C643-I653 WeakPolarHBondContact O-CA 3.36Å; F644-I653 HydrophobicContact CD1-CG2 3.46Å; F644-I653 VanDerWaalsContact CD1-CG2 3.46Å; F644-I653 HydrophobicContact CE1-CG2 3.49Å; F644-I653 VanDerWaalsContact CE1-CG2 3.49Å; F644-I653 HydrophobicContact CG-CG2 4.29Å; F644-I653 HydrophobicContact CZ-CG2 4.34Å; I653-V655 HydrophobicContact CD1-CG2 4.37Å; I653-V655 HydrophobicContact CG1-CG2 4.38Å; I653-V692 PolarHBondContact N-O 3.37Å; I653-R693 HydrophobicContact CD1-CB 4.3Å; I653-R693 HydrophobicContact CD1-CG 4.15Å; I653-R693 HydrophobicContact CG1-CB 3.95Å; I653-R693 HydrophobicContact CG1-CG 3.93Å; I653-R693 CarbonylContact O-C 3.51Å; I653-F694 PolarHBondContact O-N 3.12Å |
| 654 | V | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.6 | 168 | 54.1 | 0 | 0 | 0 | 0 | 109.7 | W642 C643 F675 F694 F721 | W642-V654 HydrophobicContact CB-CG1 4.1Å; W642-V654 PolarHBondContact N-O 3.35Å; C643-V654 PolarHBondContact O-N 3.39Å; C643-V654 WeakPolarHBondContact SG-CG1 3.29Å; V654-F675 HydrophobicContact CB-CD2 3.96Å; V654-F675 HydrophobicContact CB-CE2 4.11Å; V654-F675 HydrophobicContact CB-CG 4.18Å; V654-F675 HydrophobicContact CB-CZ 4.42Å; V654-F675 HydrophobicContact CG1-CB 4.29Å; V654-F675 HydrophobicContact CG1-CD1 3.82Å; V654-F675 HydrophobicContact CG1-CD2 4.09Å; V654-F675 HydrophobicContact CG1-CE1 4.08Å; V654-F675 HydrophobicContact CG1-CE2 4.39Å; V654-F675 HydrophobicContact CG1-CG 3.79Å; V654-F675 HydrophobicContact CG1-CZ 4.37Å; V654-F694 CarbonylContact C-O 3.57Å; V654-F694 WeakPolarHBondContact CA-O 3.33Å; V654-F694 HydrophobicContact CB-CB 4.43Å; V654-F694 HydrophobicContact CG2-CB 4.47Å; V654-F721 HydrophobicContact CG2-CE1 4.26Å; V654-F721 HydrophobicContact CG2-CZ 4.3Å |
| 655 | V | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.1 | -174.3 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | W633 E637 I653 T657 R693 F694 L696 | W633-V655 HydrophobicContact CH2-CG2 3.75Å; W633-V655 HydrophobicContact CZ3-CG2 3.83Å; E637-V655 HydrophobicContact CB-CG1 4.03Å; E637-V655 WeakPolarHBondContact O-CG1 3.41Å; I653-V655 HydrophobicContact CD1-CG2 4.37Å; I653-V655 HydrophobicContact CG1-CG2 4.38Å; V655-T657 HydrophobicContact CG1-CG2 4.1Å; V655-T657 PolarHBondContact O-N 3.24Å; V655-R693 HydrophobicContact CG2-CG 4.43Å; V655-F694 PolarHBondContact N-O 3.36Å; V655-L696 PolarHBondContact O-N 2.91Å |
| 656 | D | 96.6 | Very high | 92.4 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 6% | 0.059 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 110 | 168.1 | 165.3 | 35.2 | 0 | 0 | 0 | 110.4 | K640 W642 T658 | K640-D656 HydrophobicContact CB-CB 4.15Å; K640-D656 WeakPolarHBondContact CB-O 3.16Å; K640-D656 HydrophobicContact CD-CB 4.29Å; K640-D656 WeakPolarHBondContact CD-O 3.32Å; K640-D656 WeakPolarHBondContact CD-OD2 3.35Å; K640-D656 WeakPolarHBondContact CE-OD2 3.48Å; K640-D656 IonicContact NZ-OD2 3.75Å; K640-D656 PolarHBondContact NZ-OD2 3.42Å; K640-D656 PolarHBondContact O-N 3.26Å; W642-D656 HydrophobicContact CD2-CB 4.5Å; W642-D656 HydrophobicContact CZ2-CB 3.74Å; W642-D656 VanDerWaalsContact NE1-CB 3.3Å; D656-T658 WeakPolarHBondContact OD1-CA 3.45Å; D656-T658 VanDerWaalsContact OD1-CB 3.24Å; D656-T658 WeakPolarHBondContact OD1-CB 3.41Å; D656-T658 WeakPolarHBondContact OD1-CG2 3.07Å; D656-T658 PolarHBondContact OD1-N 3.45Å; D656-T658 PolarHBondContact OD1-OG1 3.39Å |
| 657 | T | 96.2 | Very high | 92.6 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 18% | 0.184 | 29% | 0.293 | C | S | . | . | trans | -106.4 | 7.9 | 173.6 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | E637 V655 N695 L696 | E637-T657 HydrophobicContact CG-CG2 4.37Å; V655-T657 HydrophobicContact CG1-CG2 4.1Å; V655-T657 PolarHBondContact O-N 3.24Å; T657-N695 HydrophobicContact CG2-CB 3.93Å; T657-L696 CarbonylContact C-O 3.51Å; T657-L696 WeakPolarHBondContact CA-O 3.45Å; T657-L696 PolarHBondContact N-O 2.85Å; T657-L696 VanDerWaalsContact OG1-C 3.27Å; T657-L696 PolarHBondContact OG1-O 3.2Å | ||
| 658 | T | 95.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | trans | -72.5 | 158.8 | -177.6 | 74.8 | 0 | 0 | 0 | 0 | 112.1 | K640 D656 V661 L664 L696 V699 | K640-T658 PolarHBondContact NZ-O 3.37Å; D656-T658 WeakPolarHBondContact OD1-CA 3.45Å; D656-T658 VanDerWaalsContact OD1-CB 3.24Å; D656-T658 WeakPolarHBondContact OD1-CB 3.41Å; D656-T658 WeakPolarHBondContact OD1-CG2 3.07Å; D656-T658 PolarHBondContact OD1-N 3.45Å; D656-T658 PolarHBondContact OD1-OG1 3.39Å; T658-V661 HydrophobicContact CG2-CG2 4.21Å; T658-L664 WeakPolarHBondContact OG1-CD2 3.39Å; T658-L696 HydrophobicContact CG2-CB 4.45Å; T658-L696 HydrophobicContact CG2-CD2 4.18Å; T658-L696 HydrophobicContact CG2-CG 3.84Å; T658-L696 VanDerWaalsContact CG2-O 3.26Å; T658-L696 WeakPolarHBondContact CG2-O 3.28Å; T658-L696 PolarHBondContact N-O 3.16Å; T658-V699 HydrophobicContact CG2-CG2 4.25Å | ||
| 659 | K | 92.1 | Very high | 93.5 | Very high | 189 Ų | 189 | 53.8 Ų | 53.8 | 82% | 0.822 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -119.7 | 119 | 177.5 | -64.4 | -178.7 | -178.6 | 177.4 | 0 | 110.3 | V661 | K659-V661 VanDerWaalsContact C-N 3.32Å; K659-V661 PolarHBondContact O-N 2.96Å |
| 660 | A | 88.4 | Confident | 94.1 | Very high | 106 Ų | 106 | 51.4 Ų | 51.4 | 88% | 0.876 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 55 | 36.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q662 | A660-Q662 PolarHBondContact O-N 2.96Š|
| 661 | V | 91.5 | Very high | 94.6 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | trans | -77.2 | 121.6 | 175.4 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | T658 K659 L664 V699 | T658-V661 HydrophobicContact CG2-CG2 4.21Å; K659-V661 VanDerWaalsContact C-N 3.32Å; K659-V661 PolarHBondContact O-N 2.96Å; V661-L664 HydrophobicContact CB-CB 4.25Å; V661-L664 HydrophobicContact CB-CD2 4.48Å; V661-L664 HydrophobicContact CG1-CB 4.02Å; V661-L664 HydrophobicContact CG1-CD1 4.16Å; V661-V699 HydrophobicContact CG1-CB 3.99Å; V661-V699 HydrophobicContact CG1-CG1 4.44Å | ||
| 662 | Q | 91.3 | Very high | 94.6 | Very high | 136 Ų | 136 | 51.6 Ų | 51.6 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 147.4 | 173.2 | -63.8 | -176.2 | 1.2 | 0 | 0 | 111.2 | A660 L664 | A660-Q662 PolarHBondContact O-N 2.96Å; Q662-L664 PolarHBondContact O-N 2.96Å; Q662-L664 VanDerWaalsContact O-N 3.12Å |
| 663 | Y | 91.5 | Very high | 94.6 | Very high | 94 Ų | 94 | 53.7 Ų | 53.7 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 8.4 | 177.5 | -40 | -70 | 0 | 0 | 0 | 115.9 | N665 E666 | Y663-N665 VanDerWaalsContact C-N 3.26Å; Y663-N665 PolarHBondContact O-N 3.03Å; Y663-E666 WeakPolarHBondContact CD1-OE1 3.45Å; Y663-E666 WeakPolarHBondContact O-CB 3.33Å; Y663-E666 PolarHBondContact O-N 3.02Å |
| 664 | L | 93.6 | Very high | 94.6 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.2 | -38.8 | -177.4 | -173.3 | 66.2 | 0 | 0 | 0 | 113.1 | W642 T658 V661 Q662 E666 I667 K668 L696 V699 | W642-L664 HydrophobicContact CH2-CD1 3.9Å; W642-L664 HydrophobicContact CH2-CD2 4.48Å; W642-L664 HydrophobicContact CH2-CG 4.04Å; W642-L664 HydrophobicContact CZ2-CD1 4.19Å; W642-L664 HydrophobicContact CZ2-CD2 3.93Å; W642-L664 HydrophobicContact CZ2-CG 3.87Å; T658-L664 WeakPolarHBondContact OG1-CD2 3.39Å; V661-L664 HydrophobicContact CB-CB 4.25Å; V661-L664 HydrophobicContact CB-CD2 4.48Å; V661-L664 HydrophobicContact CG1-CB 4.02Å; V661-L664 HydrophobicContact CG1-CD1 4.16Å; Q662-L664 PolarHBondContact O-N 2.96Å; Q662-L664 VanDerWaalsContact O-N 3.12Å; L664-E666 PolarHBondContact O-N 3.35Å; L664-I667 HydrophobicContact CD1-CD1 4.09Å; L664-I667 HydrophobicContact CD1-CG1 4.21Å; L664-I667 WeakPolarHBondContact O-CG1 3.24Å; L664-I667 PolarHBondContact O-N 2.92Å; L664-K668 PolarHBondContact O-N 2.86Å; L664-L696 HydrophobicContact CD1-CD2 3.94Å; L664-V699 HydrophobicContact CD1-CB 4.41Å; L664-V699 HydrophobicContact CD1-CG2 3.89Å |
| 665 | N | 92 | Very high | 94.6 | Very high | 137 Ų | 137 | 53.6 Ų | 53.6 | 73% | 0.733 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.1 | -27.5 | 179.2 | -72.9 | -28 | 0 | 0 | 0 | 113.1 | Y663 I667 K668 | Y663-N665 VanDerWaalsContact C-N 3.26Å; Y663-N665 PolarHBondContact O-N 3.03Å; N665-I667 VanDerWaalsContact C-N 3.31Å; N665-I667 PolarHBondContact O-N 3.11Å; N665-K668 WeakPolarHBondContact O-CB 3.16Å; N665-K668 PolarHBondContact O-N 2.8Å |
| 666 | E | 92.5 | Very high | 94.6 | Very high | 96 Ų | 96 | 55.1 Ų | 55.1 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73 | -25.9 | -179.7 | -61.3 | -178.9 | -151.8 | 0 | 0 | 112.7 | Y663 L664 R708 | Y663-E666 WeakPolarHBondContact CD1-OE1 3.45Å; Y663-E666 WeakPolarHBondContact O-CB 3.33Å; Y663-E666 PolarHBondContact O-N 3.02Å; L664-E666 PolarHBondContact O-N 3.35Å; E666-R708 IonicContact OE1-CZ 3.34Å; E666-R708 IonicContact OE1-NH2 2.67Å; E666-R708 PolarHBondContact OE1-NH2 3.3Å; E666-R708 IonicContact OE2-CZ 3.57Å; E666-R708 IonicContact OE2-NE 2.89Å; E666-R708 PolarHBondContact OE2-NE 3.04Å; E666-R708 IonicContact OE2-NH2 3.43Å; E666-R708 PolarHBondContact OE2-NH2 2.57Å |
| 667 | I | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -94.4 | -11.9 | 178.8 | 68.1 | 150.9 | 0 | 0 | 0 | 112.8 | L594 L664 N665 D669 S670 V671 V699 L701 R708 I713 | L594-I667 HydrophobicContact CD2-CD1 4.08Å; L664-I667 HydrophobicContact CD1-CD1 4.09Å; L664-I667 HydrophobicContact CD1-CG1 4.21Å; L664-I667 WeakPolarHBondContact O-CG1 3.24Å; L664-I667 PolarHBondContact O-N 2.92Å; N665-I667 VanDerWaalsContact C-N 3.31Å; N665-I667 PolarHBondContact O-N 3.11Å; I667-D669 PolarHBondContact O-N 2.85Å; I667-S670 WeakPolarHBondContact O-CB 3.29Å; I667-S670 PolarHBondContact O-N 2.75Å; I667-V671 HydrophobicContact CD1-CG2 3.95Å; I667-V671 HydrophobicContact CG1-CG2 4.43Å; I667-V671 WeakPolarHBondContact O-CG2 3.41Å; I667-V671 PolarHBondContact O-N 2.8Å; I667-V699 HydrophobicContact CD1-CG1 3.96Å; I667-V699 HydrophobicContact CD1-CG2 4.46Å; I667-L701 HydrophobicContact CD1-CD1 4.3Å; I667-L701 HydrophobicContact CD1-CD2 4.13Å; I667-L701 HydrophobicContact CG1-CD1 4.19Å; I667-L701 HydrophobicContact CG2-CD1 3.94Å; I667-L701 HydrophobicContact CG2-CD2 3.92Å; I667-R708 HydrophobicContact CG2-CB 4.14Å; I667-I713 HydrophobicContact CB-CG1 4.25Å; I667-I713 HydrophobicContact CB-CG2 4.17Å; I667-I713 HydrophobicContact CG2-CD1 3.97Å; I667-I713 HydrophobicContact CG2-CG1 3.87Å |
| 668 | K | 95.8 | Very high | 94.6 | Very high | 69 Ų | 69 | 58.4 Ų | 58.4 | 30% | 0.3 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -51.4 | -52.9 | -173.8 | -179.2 | -178.9 | 176.9 | -173.5 | 0 | 111.6 | W642 L664 N665 S670 V671 V672 | W642-K668 HydrophobicContact CD2-CD 4.34Å; W642-K668 HydrophobicContact CD2-CG 3.85Å; W642-K668 HydrophobicContact CE3-CG 3.93Å; W642-K668 HydrophobicContact CG-CD 4.43Å; W642-K668 HydrophobicContact CG-CG 4.31Å; W642-K668 HydrophobicContact CH2-CB 4.41Å; W642-K668 HydrophobicContact CH2-CG 4.48Å; W642-K668 HydrophobicContact CZ2-CG 4.43Å; W642-K668 HydrophobicContact CZ3-CB 4.42Å; W642-K668 HydrophobicContact CZ3-CG 4.25Å; L664-K668 PolarHBondContact O-N 2.86Å; N665-K668 WeakPolarHBondContact O-CB 3.16Å; N665-K668 PolarHBondContact O-N 2.8Å; K668-S670 VanDerWaalsContact C-N 3.26Å; K668-S670 PolarHBondContact O-N 3.34Å; K668-V671 PolarHBondContact O-N 3.32Å; K668-V671 VanDerWaalsContact O-N 3.14Å; K668-V672 HydrophobicContact CG-CG2 4.31Å; K668-V672 WeakPolarHBondContact O-CB 3.42Å; K668-V672 VanDerWaalsContact O-CG2 3.28Å; K668-V672 WeakPolarHBondContact O-CG2 3.35Å; K668-V672 PolarHBondContact O-N 2.99Å |
| 669 | D | 94.5 | Very high | 94.6 | Very high | 125 Ų | 125 | 58.1 Ų | 58.1 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.7 | -33.6 | -177.4 | -65.1 | -18.1 | 0 | 0 | 0 | 112.3 | I667 A673 | I667-D669 PolarHBondContact O-N 2.85Å; D669-A673 WeakPolarHBondContact O-CB 3.18Å; D669-A673 PolarHBondContact O-N 3.48Å |
| 670 | S | 97 | Very high | 94.7 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 12% | 0.119 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.7 | -39.3 | 175.5 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | I667 K668 A673 A674 G710 | I667-S670 WeakPolarHBondContact O-CB 3.29Å; I667-S670 PolarHBondContact O-N 2.75Å; K668-S670 VanDerWaalsContact C-N 3.26Å; K668-S670 PolarHBondContact O-N 3.34Å; S670-A673 PolarHBondContact O-N 3.41Å; S670-A674 WeakPolarHBondContact O-CB 3.43Å; S670-A674 PolarHBondContact O-N 2.93Å; S670-G710 WeakPolarHBondContact OG-CA 3.32Å |
| 671 | V | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68 | -41.2 | 174.3 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | M596 W642 I667 K668 A674 F675 I713 A717 F721 | M596-V671 HydrophobicContact CE-CG1 4.11Å; W642-V671 HydrophobicContact CE3-CB 4.35Å; W642-V671 HydrophobicContact CE3-CG1 4.16Å; W642-V671 HydrophobicContact CZ3-CB 3.78Å; W642-V671 HydrophobicContact CZ3-CG1 3.79Å; W642-V671 HydrophobicContact CZ3-CG2 4.16Å; I667-V671 HydrophobicContact CD1-CG2 3.95Å; I667-V671 HydrophobicContact CG1-CG2 4.43Å; I667-V671 WeakPolarHBondContact O-CG2 3.41Å; I667-V671 PolarHBondContact O-N 2.8Å; K668-V671 PolarHBondContact O-N 3.32Å; K668-V671 VanDerWaalsContact O-N 3.14Å; V671-A674 PolarHBondContact O-N 3.2Å; V671-F675 VanDerWaalsContact O-CB 3.26Å; V671-F675 WeakPolarHBondContact O-CB 3.42Å; V671-F675 PolarHBondContact O-N 3.35Å; V671-I713 HydrophobicContact CG2-CG2 3.83Å; V671-A717 HydrophobicContact CG1-CB 4.48Å; V671-A717 HydrophobicContact CG2-CB 4.3Å; V671-F721 HydrophobicContact CG1-CE2 4.4Å; V671-F721 HydrophobicContact CG1-CZ 3.87Å |
| 672 | V | 96.3 | Very high | 95.1 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -48.1 | 174.2 | 168.6 | 0 | 0 | 0 | 0 | 110.1 | W642 C643 K668 A674 F675 Q676 | W642-V672 HydrophobicContact CB-CG2 4.39Å; C643-V672 HydrophobicContact CB-CG1 4.09Å; C643-V672 HydrophobicContact CB-CG2 4.26Å; K668-V672 HydrophobicContact CG-CG2 4.31Å; K668-V672 WeakPolarHBondContact O-CB 3.42Å; K668-V672 VanDerWaalsContact O-CG2 3.28Å; K668-V672 WeakPolarHBondContact O-CG2 3.35Å; K668-V672 PolarHBondContact O-N 2.99Å; V672-A674 VanDerWaalsContact C-N 3.35Å; V672-A674 PolarHBondContact O-N 2.91Å; V672-F675 WeakPolarHBondContact O-CB 3.2Å; V672-F675 PolarHBondContact O-N 2.84Å; V672-F675 VanDerWaalsContact O-N 3.14Å; V672-Q676 HydrophobicContact CG1-CG 4.48Å; V672-Q676 WeakPolarHBondContact O-CG 3.2Å; V672-Q676 PolarHBondContact O-N 3.48Å |
| 673 | A | 96.2 | Very high | 95.4 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D669 S670 F675 Q676 W677 I714 | D669-A673 WeakPolarHBondContact O-CB 3.18Å; D669-A673 PolarHBondContact O-N 3.48Å; S670-A673 PolarHBondContact O-N 3.41Å; A673-F675 VanDerWaalsContact C-N 3.32Å; A673-F675 PolarHBondContact O-N 3.13Å; A673-Q676 PolarHBondContact O-N 2.87Å; A673-W677 PolarHBondContact O-N 2.92Å; A673-W677 VanDerWaalsContact O-N 3.12Å; A673-I714 HydrophobicContact CB-CD1 4.43Å |
| 674 | A | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S670 V671 V672 W677 A678 I714 A717 R718 F721 | S670-A674 WeakPolarHBondContact O-CB 3.43Å; S670-A674 PolarHBondContact O-N 2.93Å; V671-A674 PolarHBondContact O-N 3.2Å; V672-A674 VanDerWaalsContact C-N 3.35Å; V672-A674 PolarHBondContact O-N 2.91Å; A674-W677 PolarHBondContact O-N 3.35Å; A674-A678 WeakPolarHBondContact O-CB 3.12Å; A674-A678 PolarHBondContact O-N 2.8Å; A674-I714 HydrophobicContact CB-CG2 4.08Å; A674-I714 VanDerWaalsContact CB-O 3.23Å; A674-I714 WeakPolarHBondContact CB-O 3.23Å; A674-A717 HydrophobicContact CB-CB 3.58Å; A674-R718 HydrophobicContact CB-CB 4.41Å; A674-F721 HydrophobicContact CB-CE2 4.2Å |
| 675 | F | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.6 | -43.7 | 177.8 | 174.4 | -103.2 | 0 | 0 | 0 | 111.6 | C643 N652 V654 V671 V672 A673 W677 A678 T679 F694 F721 | C643-F675 WeakPolarHBondContact SG-CD1 3.44Å; N652-F675 HydrophobicContact CB-CE2 4.39Å; N652-F675 HydrophobicContact CB-CZ 3.83Å; V654-F675 HydrophobicContact CB-CD2 3.96Å; V654-F675 HydrophobicContact CB-CE2 4.11Å; V654-F675 HydrophobicContact CB-CG 4.18Å; V654-F675 HydrophobicContact CB-CZ 4.42Å; V654-F675 HydrophobicContact CG1-CB 4.29Å; V654-F675 HydrophobicContact CG1-CD1 3.82Å; V654-F675 HydrophobicContact CG1-CD2 4.09Å; V654-F675 HydrophobicContact CG1-CE1 4.08Å; V654-F675 HydrophobicContact CG1-CE2 4.39Å; V654-F675 HydrophobicContact CG1-CG 3.79Å; V654-F675 HydrophobicContact CG1-CZ 4.37Å; V671-F675 VanDerWaalsContact O-CB 3.26Å; V671-F675 WeakPolarHBondContact O-CB 3.42Å; V671-F675 PolarHBondContact O-N 3.35Å; V672-F675 WeakPolarHBondContact O-CB 3.2Å; V672-F675 PolarHBondContact O-N 2.84Å; V672-F675 VanDerWaalsContact O-N 3.14Å; A673-F675 VanDerWaalsContact C-N 3.32Å; A673-F675 PolarHBondContact O-N 3.13Å; F675-W677 PolarHBondContact O-N 2.94Å; F675-A678 PolarHBondContact O-N 3.24Å; F675-T679 HydrophobicContact CD2-CG2 3.84Å; F675-T679 HydrophobicContact CE1-CG2 4.21Å; F675-T679 HydrophobicContact CE2-CG2 3.36Å; F675-T679 HydrophobicContact CG-CG2 4.41Å; F675-T679 HydrophobicContact CZ-CG2 3.59Å; F675-T679 WeakPolarHBondContact O-CB 3.44Å; F675-T679 WeakPolarHBondContact O-CG2 3.35Å; F675-T679 PolarHBondContact O-N 3.05Å; F675-T679 PolarHBondContact O-OG1 3.04Å; F675-F694 HydrophobicContact CD2-CD2 4.19Å; F675-F694 AromaticContact CE2-CD2 3.58Å; F675-F694 HydrophobicContact CE2-CD2 3.58Å; F675-F694 AromaticContact CE2-CE2 3.97Å; F675-F694 HydrophobicContact CE2-CE2 3.97Å; F675-F694 HydrophobicContact CE2-CG 4.48Å; F675-F721 HydrophobicContact CB-CE2 3.66Å; F675-F721 HydrophobicContact CB-CZ 3.74Å; F675-F721 HydrophobicContact CD2-CE1 4.11Å; F675-F721 HydrophobicContact CD2-CE2 4.3Å; F675-F721 AromaticContact CD2-CZ 3.95Å; F675-F721 HydrophobicContact CD2-CZ 3.95Å; F675-F721 HydrophobicContact CG-CZ 4.3Å |
| 676 | Q | 96.7 | Very high | 95.6 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 15% | 0.15 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.1 | -41.3 | 172.8 | -64.1 | -46.2 | -43 | 0 | 0 | 111 | F644 P646 N648 V672 A673 T679 K680 | F644-Q676 PolarHBondContact O-NE2 3.3Å; P646-Q676 VanDerWaalsContact C-OE1 3.27Å; N648-Q676 PolarHBondContact OD1-NE2 2.95Å; V672-Q676 HydrophobicContact CG1-CG 4.48Å; V672-Q676 WeakPolarHBondContact O-CG 3.2Å; V672-Q676 PolarHBondContact O-N 3.48Å; A673-Q676 PolarHBondContact O-N 2.87Å; Q676-T679 PolarHBondContact O-OG1 3.49Å; Q676-K680 WeakPolarHBondContact O-CB 3.35Å; Q676-K680 PolarHBondContact O-N 3.06Å; Q676-K680 VanDerWaalsContact O-N 3.14Å |
| 677 | W | 95.7 | Very high | 95.5 | Very high | 109 Ų | 109 | 28.1 Ų | 28.1 | 41% | 0.413 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -68.7 | -50.3 | 177.4 | -164.4 | -1.7 | 0 | 0 | 0 | 112.4 | A673 A674 F675 T679 K680 E681 I714 | A673-W677 PolarHBondContact O-N 2.92Å; A673-W677 VanDerWaalsContact O-N 3.12Å; A674-W677 PolarHBondContact O-N 3.35Å; F675-W677 PolarHBondContact O-N 2.94Å; W677-T679 VanDerWaalsContact C-N 3.32Å; W677-T679 PolarHBondContact O-N 3.17Å; W677-K680 PolarHBondContact O-N 2.78Å; W677-K680 VanDerWaalsContact O-N 3.14Å; W677-E681 PolarHBondContact NE1-OE1 2.95Å; W677-E681 PolarHBondContact NE1-OE2 2.83Å; W677-E681 PolarHBondContact O-N 3.07Å; W677-I714 HydrophobicContact CE3-CG2 4.36Å |
| 678 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -38.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A674 F675 E681 M689 R718 F721 Y722 | A674-A678 WeakPolarHBondContact O-CB 3.12Å; A674-A678 PolarHBondContact O-N 2.8Å; F675-A678 PolarHBondContact O-N 3.24Å; A678-E681 CarbonylContact O-C 3.38Å; A678-E681 VanDerWaalsContact O-C 3.24Å; A678-M689 WeakPolarHBondContact O-CE 3.43Å; A678-R718 HydrophobicContact CB-CG 4.28Å; A678-F721 HydrophobicContact CB-CB 4.05Å; A678-F721 HydrophobicContact CB-CD2 3.96Å; A678-F721 HydrophobicContact CB-CG 4.34Å; A678-Y722 HydrophobicContact CB-CE1 4Å |
| 679 | T | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -78.9 | -20.4 | 177.8 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | P646 N652 F675 Q676 W677 H688 M689 F694 | P646-T679 WeakPolarHBondContact CA-OG1 3.34Å; N652-T679 HydrophobicContact CB-CG2 3.82Å; F675-T679 HydrophobicContact CD2-CG2 3.84Å; F675-T679 HydrophobicContact CE1-CG2 4.21Å; F675-T679 HydrophobicContact CE2-CG2 3.36Å; F675-T679 HydrophobicContact CG-CG2 4.41Å; F675-T679 HydrophobicContact CZ-CG2 3.59Å; F675-T679 WeakPolarHBondContact O-CB 3.44Å; F675-T679 WeakPolarHBondContact O-CG2 3.35Å; F675-T679 PolarHBondContact O-N 3.05Å; F675-T679 PolarHBondContact O-OG1 3.04Å; Q676-T679 PolarHBondContact O-OG1 3.49Å; W677-T679 VanDerWaalsContact C-N 3.32Å; W677-T679 PolarHBondContact O-N 3.17Å; T679-H688 CarbonylContact O-C 3.58Å; T679-H688 WeakPolarHBondContact O-CA 3.43Å; T679-M689 HydrophobicContact CG2-CB 4.44Å; T679-M689 HydrophobicContact CG2-SD 4.27Å; T679-M689 PolarHBondContact O-N 2.81Å; T679-F694 HydrophobicContact CG2-CE2 4.44Å |
| 680 | K | 92.9 | Very high | 95.5 | Very high | 86 Ų | 86 | 20.9 Ų | 20.9 | 37% | 0.374 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -78.6 | -39.5 | 171.8 | -174.9 | 170.3 | -178.6 | 158.5 | 0 | 111.6 | P646 E647 Q676 W677 H688 | P646-K680 HydrophobicContact CB-CB 3.86Å; E647-K680 IonicContact OE1-NZ 3.32Å; E647-K680 PolarHBondContact OE1-NZ 3.04Å; Q676-K680 WeakPolarHBondContact O-CB 3.35Å; Q676-K680 PolarHBondContact O-N 3.06Å; Q676-K680 VanDerWaalsContact O-N 3.14Å; W677-K680 PolarHBondContact O-N 2.78Å; W677-K680 VanDerWaalsContact O-N 3.14Å; K680-H688 PolarHBondContact O-CD2 3.14Å |
| 681 | E | 93.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 20.3 Ų | 20.3 | 16% | 0.159 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -119.6 | 94 | 178.5 | -71.6 | 166.2 | -142.8 | 0 | 0 | 109.9 | W677 A678 Q686 R718 Y722 | W677-E681 PolarHBondContact NE1-OE1 2.95Å; W677-E681 PolarHBondContact NE1-OE2 2.83Å; W677-E681 PolarHBondContact O-N 3.07Å; A678-E681 CarbonylContact O-C 3.38Å; A678-E681 VanDerWaalsContact O-C 3.24Å; E681-Q686 HydrophobicContact CB-CB 4.16Å; E681-Q686 HydrophobicContact CB-CG 4.17Å; E681-Q686 HydrophobicContact CG-CB 4.32Å; E681-Q686 HydrophobicContact CG-CG 4.47Å; E681-R718 IonicContact OE2-CZ 2.68Å; E681-R718 IonicContact OE2-NH2 3.82Å; E681-R718 PolarHBondContact OE2-NH2 2.88Å; E681-Y722 WeakPolarHBondContact O-CE1 3.26Å; E681-Y722 PolarHBondContact O-OH 2.85Å |
| 682 | G | 95.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | trans | -64 | 163.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | E573 Q686 E687 | E573-G682 VanDerWaalsContact OE1-C 3.3Å; E573-G682 VanDerWaalsContact OE1-CA 3.32Å; E573-G682 WeakPolarHBondContact OE1-CA 3.29Å; E573-G682 WeakPolarHBondContact OE2-CA 3.42Å; G682-Q686 VanDerWaalsContact O-CA 3.23Å; G682-Q686 WeakPolarHBondContact O-CA 3.49Å; G682-Q686 PolarHBondContact O-N 2.75Å; G682-E687 WeakPolarHBondContact CA-O 3.33Å; G682-E687 PolarHBondContact N-O 3.47Å | ||
| 683 | V | 96.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.03 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -29.6 | -174.1 | 67.4 | 0 | 0 | 0 | 0 | 112.9 | E573 Y722 V725 L726 P841 F846 | E573-V683 PolarHBondContact OE2-N 2.98Å; V683-Y722 HydrophobicContact CB-CD1 3.72Å; V683-Y722 HydrophobicContact CB-CE1 4.18Å; V683-Y722 HydrophobicContact CB-CG 3.92Å; V683-Y722 HydrophobicContact CG2-CD1 4.31Å; V683-Y722 HydrophobicContact CG2-CD2 4.36Å; V683-Y722 HydrophobicContact CG2-CG 3.98Å; V683-V725 HydrophobicContact CG1-CB 4.29Å; V683-V725 HydrophobicContact CG1-CG1 3.75Å; V683-L726 HydrophobicContact CG1-CD2 3.89Å; V683-L726 HydrophobicContact CG1-CG 4.12Å; V683-L726 HydrophobicContact CG2-CD1 4.11Å; V683-L726 HydrophobicContact CG2-CD2 4.26Å; V683-L726 HydrophobicContact CG2-CG 4.17Å; V683-P841 WeakPolarHBondContact O-CD 3.49Å; V683-F846 HydrophobicContact CG2-CD2 4.47Å; V683-F846 HydrophobicContact CG2-CE2 3.62Å; V683-F846 HydrophobicContact CG2-CZ 4.07Å |
| 684 | L | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -54.2 | -175.9 | -58.1 | 178.3 | 0 | 0 | 0 | 110.7 | E573 P730 L732 P816 L817 V827 R831 V840 | E573-L684 HydrophobicContact CG-CB 4.24Å; E573-L684 HydrophobicContact CG-CD1 4.24Å; E573-L684 HydrophobicContact CG-CG 4.45Å; E573-L684 VanDerWaalsContact OE2-CB 3.31Å; E573-L684 WeakPolarHBondContact OE2-CB 3.36Å; E573-L684 WeakPolarHBondContact OE2-CG 3.35Å; E573-L684 PolarHBondContact OE2-N 2.85Å; L684-P730 HydrophobicContact CD1-CB 4.22Å; L684-P730 HydrophobicContact CD2-CB 4.08Å; L684-P730 HydrophobicContact CD2-CG 4.2Å; L684-P730 HydrophobicContact CG-CB 4.43Å; L684-L732 HydrophobicContact CD1-CD2 4.03Å; L684-P816 HydrophobicContact CD1-CB 4.05Å; L684-P816 HydrophobicContact CD1-CG 3.92Å; L684-L817 HydrophobicContact CD2-CD2 3.98Å; L684-V827 HydrophobicContact CB-CG2 4.27Å; L684-R831 WeakPolarHBondContact O-CD 3.41Å; L684-R831 PolarHBondContact O-NH1 2.86Å; L684-V840 HydrophobicContact CD2-CG1 3.85Å; L684-V840 HydrophobicContact CD2-CG2 4.01Å |
| 685 | C | 92.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -149.3 | 21.7 | -174.1 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | E573 E687 V827 A830 R831 K834 | E573-C685 PolarHBondContact OE1-N 2.83Å; C685-E687 PolarHBondContact O-N 2.9Å; C685-V827 HydrophobicContact CB-CG1 4.25Å; C685-A830 HydrophobicContact CB-CB 3.87Å; C685-R831 HydrophobicContact CB-CG 3.99Å; C685-K834 WeakPolarHBondContact O-CD 3.49Å; C685-K834 PolarHBondContact O-NZ 2.93Å |
| 686 | Q | 92.5 | Very high | 95.7 | Very high | 40 Ų | 40 | 19.1 Ų | 19.1 | 19% | 0.187 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 54.1 | 33.5 | -176.6 | -62.8 | 179.9 | -25.3 | 0 | 0 | 112.7 | E573 E681 G682 K834 L836 | E573-Q686 PolarHBondContact OE1-N 2.89Å; E573-Q686 VanDerWaalsContact OE1-N 3.07Å; E681-Q686 HydrophobicContact CB-CB 4.16Å; E681-Q686 HydrophobicContact CB-CG 4.17Å; E681-Q686 HydrophobicContact CG-CB 4.32Å; E681-Q686 HydrophobicContact CG-CG 4.47Å; G682-Q686 VanDerWaalsContact O-CA 3.23Å; G682-Q686 WeakPolarHBondContact O-CA 3.49Å; G682-Q686 PolarHBondContact O-N 2.75Å; Q686-K834 HydrophobicContact CB-CD 4.33Å; Q686-K834 PolarHBondContact O-NZ 2.98Å; Q686-L836 HydrophobicContact CB-CD1 4.22Å; Q686-L836 HydrophobicContact CG-CD1 3.8Å; Q686-L836 HydrophobicContact CG-CD2 4.46Å |
| 687 | E | 91.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | P | Polyproline II helix | trans | -86 | 159.4 | 164.6 | -71.4 | -60.3 | 149.9 | 0 | 0 | 109.4 | R498 E573 G682 C685 M689 R833 K834 | R498-E687 IonicContact CZ-OE2 3.56Å; R498-E687 IonicContact NH1-OE1 3.14Å; R498-E687 PolarHBondContact NH1-OE1 2.96Å; R498-E687 IonicContact NH1-OE2 2.78Å; R498-E687 PolarHBondContact NH1-OE2 2.55Å; R498-E687 IonicContact NH2-OE2 3.61Å; R498-E687 PolarHBondContact NH2-OE2 2.91Å; E573-E687 HydrophobicContact CG-CB 4.22Å; E573-E687 PolarHBondContact OE1-N 2.84Å; G682-E687 WeakPolarHBondContact CA-O 3.33Å; G682-E687 PolarHBondContact N-O 3.47Å; C685-E687 PolarHBondContact O-N 2.9Å; E687-M689 PolarHBondContact O-N 2.93Å; E687-R833 IonicContact OE1-NH2 2.63Å; E687-K834 VanDerWaalsContact CD-NZ 3.32Å; E687-K834 WeakPolarHBondContact OE1-CE 3.48Å; E687-K834 IonicContact OE1-NZ 3.64Å; E687-K834 PolarHBondContact OE1-NZ 2.75Å |
| 688 | H | 92.6 | Very high | 95.7 | Very high | 30 Ų | 30 | 19.1 Ų | 19.1 | 14% | 0.139 | 9% | 0.092 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 140.6 | 177.1 | -72.6 | -157.7 | 0 | 0 | 0 | 109.9 | R572 E573 P646 T679 K680 | R572-H688 CarbonylContact C-O 3.58Å; R572-H688 WeakPolarHBondContact CA-O 3.43Å; R572-H688 WeakPolarHBondContact CB-O 3.19Å; R572-H688 WeakPolarHBondContact CD-O 3.26Å; E573-H688 PolarHBondContact N-O 3.36Å; P646-H688 HydrophobicContact CG-CB 4.42Å; T679-H688 CarbonylContact O-C 3.58Å; T679-H688 WeakPolarHBondContact O-CA 3.43Å; K680-H688 PolarHBondContact O-CD2 3.14Å |
| 689 | M | 96.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.015 | 9% | 0.094 | C | C | . | . | B | Isolated β-bridge | trans | -76.8 | 154.4 | 170.9 | -63.5 | -173.4 | -179.6 | 0 | 0 | 110.7 | E573 N652 A678 T679 E687 F694 Y722 V725 | E573-M689 HydrophobicContact CB-CG 4.26Å; E573-M689 CarbonylContact O-C 3.56Å; E573-M689 WeakPolarHBondContact O-CA 3.38Å; N652-M689 VanDerWaalsContact ND2-C 3.25Å; N652-M689 PolarHBondContact ND2-O 3.14Å; A678-M689 WeakPolarHBondContact O-CE 3.43Å; T679-M689 HydrophobicContact CG2-CB 4.44Å; T679-M689 HydrophobicContact CG2-SD 4.27Å; T679-M689 PolarHBondContact O-N 2.81Å; E687-M689 PolarHBondContact O-N 2.93Å; M689-F694 HydrophobicContact SD-CE2 4.32Å; M689-F694 HydrophobicContact SD-CZ 4.05Å; M689-Y722 HydrophobicContact CE-CD1 4.17Å; M689-Y722 HydrophobicContact CE-CE1 4.07Å; M689-V725 HydrophobicContact CE-CG2 3.9Å; M689-V725 HydrophobicContact SD-CG2 4.25Å |
| 690 | R | 96.3 | Very high | 95.6 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 3% | 0.03 | 11% | 0.112 | C | C | . | . | trans | -147.1 | 140.5 | 169.8 | 165.8 | 160.6 | -163.7 | -74.1 | 7.9 | 110.5 | R572 E573 T574 E603 D610 P651 N652 L733 W809 | R572-R690 HydrophobicContact CB-CB 3.9Å; R572-R690 HydrophobicContact CG-CB 4.04Å; E573-R690 PolarHBondContact O-N 2.98Å; T574-R690 WeakPolarHBondContact CB-O 3.32Å; T574-R690 PolarHBondContact OG1-O 2.81Å; E603-R690 VanDerWaalsContact CD-NH1 3.28Å; E603-R690 IonicContact OE1-CZ 3.51Å; E603-R690 VanDerWaalsContact OE1-CZ 3.32Å; E603-R690 IonicContact OE1-NH1 2.66Å; E603-R690 PolarHBondContact OE1-NH1 2.82Å; E603-R690 IonicContact OE1-NH2 2.91Å; E603-R690 PolarHBondContact OE1-NH2 3.31Å; E603-R690 IonicContact OE2-CZ 3.63Å; E603-R690 IonicContact OE2-NH1 2.94Å; E603-R690 PolarHBondContact OE2-NH1 2.89Å; E603-R690 IonicContact OE2-NH2 2.85Å; D610-R690 IonicContact OD2-CZ 3.7Å; D610-R690 IonicContact OD2-NE 3.7Å; D610-R690 PolarHBondContact OD2-NE 2.74Å; D610-R690 IonicContact OD2-NH2 2.96Å; D610-R690 PolarHBondContact OD2-NH2 3.39Å; P651-R690 HydrophobicContact CG-CB 4.11Å; P651-R690 HydrophobicContact CG-CG 3.58Å; N652-R690 VanDerWaalsContact OD1-CA 3.26Å; N652-R690 WeakPolarHBondContact OD1-CA 3.38Å; N652-R690 PolarHBondContact OD1-N 3.32Å; R690-L733 HydrophobicContact CB-CD1 4.13Å; R690-L733 HydrophobicContact CG-CD1 4.01Å; R690-W809 VanDerWaalsContact CZ-CD1 3.44Å | ||
| 691 | G | 97 | Very high | 95.7 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 5% | 0.052 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 75.5 | 29 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L601 P651 N652 | L601-G691 PolarHBondContact N-O 3.44Å; P651-G691 VanDerWaalsContact O-CA 3.29Å; P651-G691 WeakPolarHBondContact O-CA 3.45Å; P651-G691 PolarHBondContact O-N 3.04Å; N652-G691 PolarHBondContact OD1-N 2.9Å; N652-G691 VanDerWaalsContact OD1-N 3.17Å |
| 692 | V | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.7 | -178.9 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | V575 A598 N652 I653 F694 | V575-V692 HydrophobicContact CG2-CG1 3.88Å; V575-V692 HydrophobicContact CG2-CG2 4.18Å; A598-V692 HydrophobicContact CB-CG1 4.05Å; N652-V692 CarbonylContact C-O 3.4Å; N652-V692 WeakPolarHBondContact CA-O 3.37Å; N652-V692 WeakPolarHBondContact CB-O 3.39Å; N652-V692 WeakPolarHBondContact OD1-CB 3.19Å; N652-V692 PolarHBondContact OD1-N 3.31Å; I653-V692 PolarHBondContact N-O 3.37Å; V692-F694 HydrophobicContact CB-CD2 4.46Å; V692-F694 HydrophobicContact CB-CE2 3.86Å; V692-F694 HydrophobicContact CB-CZ 4.42Å; V692-F694 HydrophobicContact CG1-CD2 3.89Å; V692-F694 HydrophobicContact CG1-CE1 4.27Å; V692-F694 HydrophobicContact CG1-CE2 3.38Å; V692-F694 HydrophobicContact CG1-CZ 3.62Å |
| 693 | R | 97.6 | Very high | 95.5 | Very high | 29 Ų | 29 | 24.1 Ų | 24.1 | 11% | 0.109 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.6 | 168.4 | 175.7 | 173 | 170 | 177.8 | -8 | 109.4 | A598 L599 L601 E637 I653 V655 N695 | A598-R693 CarbonylContact C-O 3.55Å; A598-R693 VanDerWaalsContact CA-O 3.27Å; A598-R693 WeakPolarHBondContact CA-O 2.91Å; L599-R693 HydrophobicContact CD1-CB 4.29Å; L599-R693 HydrophobicContact CD1-CG 4Å; L599-R693 PolarHBondContact N-O 3.22Å; L599-R693 PolarHBondContact O-N 2.96Å; L601-R693 HydrophobicContact CD2-CB 3.78Å; L601-R693 HydrophobicContact CG-CB 4.11Å; E637-R693 IonicContact OE1-NH2 3.71Å; E637-R693 PolarHBondContact OE1-NH2 3.33Å; E637-R693 IonicContact OE2-CZ 3.61Å; E637-R693 IonicContact OE2-NH1 3.47Å; E637-R693 PolarHBondContact OE2-NH1 2.82Å; E637-R693 VanDerWaalsContact OE2-NH1 3.11Å; E637-R693 IonicContact OE2-NH2 2.76Å; E637-R693 PolarHBondContact OE2-NH2 3.34Å; I653-R693 HydrophobicContact CD1-CB 4.3Å; I653-R693 HydrophobicContact CD1-CG 4.15Å; I653-R693 HydrophobicContact CG1-CB 3.95Å; I653-R693 HydrophobicContact CG1-CG 3.93Å; I653-R693 CarbonylContact O-C 3.51Å; V655-R693 HydrophobicContact CG2-CG 4.43Å; R693-N695 VanDerWaalsContact CZ-OD1 3.31Å; R693-N695 PolarHBondContact NE-OD1 2.72Å; R693-N695 PolarHBondContact NH2-ND2 2.87Å; R693-N695 PolarHBondContact NH2-OD1 2.91Å |
| 694 | F | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.1 | 171.3 | -66.6 | -90.8 | 0 | 0 | 0 | 110.5 | R597 A598 I653 V654 V655 F675 T679 M689 V692 F721 V725 | R597-F694 CarbonylContact O-C 3.6Å; R597-F694 WeakPolarHBondContact O-CA 3.41Å; A598-F694 HydrophobicContact CB-CD1 3.87Å; A598-F694 HydrophobicContact CB-CE1 3.75Å; A598-F694 HydrophobicContact CB-CZ 4.45Å; I653-F694 PolarHBondContact O-N 3.12Å; V654-F694 CarbonylContact C-O 3.57Å; V654-F694 WeakPolarHBondContact CA-O 3.33Å; V654-F694 HydrophobicContact CB-CB 4.43Å; V654-F694 HydrophobicContact CG2-CB 4.47Å; V655-F694 PolarHBondContact N-O 3.36Å; F675-F694 HydrophobicContact CD2-CD2 4.19Å; F675-F694 AromaticContact CE2-CD2 3.58Å; F675-F694 HydrophobicContact CE2-CD2 3.58Å; F675-F694 AromaticContact CE2-CE2 3.97Å; F675-F694 HydrophobicContact CE2-CE2 3.97Å; F675-F694 HydrophobicContact CE2-CG 4.48Å; T679-F694 HydrophobicContact CG2-CE2 4.44Å; M689-F694 HydrophobicContact SD-CE2 4.32Å; M689-F694 HydrophobicContact SD-CZ 4.05Å; V692-F694 HydrophobicContact CB-CD2 4.46Å; V692-F694 HydrophobicContact CB-CE2 3.86Å; V692-F694 HydrophobicContact CB-CZ 4.42Å; V692-F694 HydrophobicContact CG1-CD2 3.89Å; V692-F694 HydrophobicContact CG1-CE1 4.27Å; V692-F694 HydrophobicContact CG1-CE2 3.38Å; V692-F694 HydrophobicContact CG1-CZ 3.62Å; F694-F721 HydrophobicContact CB-CD1 4.04Å; F694-F721 HydrophobicContact CB-CE1 3.84Å; F694-F721 HydrophobicContact CD1-CB 4.4Å; F694-F721 AromaticContact CD1-CD1 3.41Å; F694-F721 HydrophobicContact CD1-CD1 3.41Å; F694-F721 VanDerWaalsContact CD1-CD1 3.41Å; F694-F721 HydrophobicContact CD1-CE1 4.11Å; F694-F721 HydrophobicContact CD1-CG 4.33Å; F694-F721 HydrophobicContact CD2-CD1 4.39Å; F694-F721 HydrophobicContact CE1-CB 3.94Å; F694-F721 AromaticContact CE1-CD1 3.81Å; F694-F721 HydrophobicContact CE1-CD1 3.81Å; F694-F721 HydrophobicContact CE1-CG 4.31Å; F694-F721 AromaticContact CG-CD1 3.69Å; F694-F721 HydrophobicContact CG-CD1 3.69Å; F694-F721 AromaticContact CG-CE1 3.96Å; F694-F721 HydrophobicContact CG-CE1 3.96Å; F694-F721 HydrophobicContact CZ-CB 4.38Å; F694-F721 HydrophobicContact CZ-CD1 4.44Å; F694-V725 HydrophobicContact CE1-CG2 3.73Å; F694-V725 HydrophobicContact CZ-CG2 3.55Å |
| 695 | N | 98.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122 | 173.6 | -73.3 | -11.5 | 0 | 0 | 0 | 109.3 | M596 R597 L599 T657 R693 M697 | M596-N695 VanDerWaalsContact CA-O 3.24Å; M596-N695 WeakPolarHBondContact CA-O 3.28Å; R597-N695 PolarHBondContact N-O 3.33Å; R597-N695 VanDerWaalsContact N-O 3.12Å; R597-N695 PolarHBondContact O-N 2.98Å; L599-N695 HydrophobicContact CD1-CB 4.47Å; L599-N695 WeakPolarHBondContact CD1-ND2 3.37Å; T657-N695 HydrophobicContact CG2-CB 3.93Å; R693-N695 VanDerWaalsContact CZ-OD1 3.31Å; R693-N695 PolarHBondContact NE-OD1 2.72Å; R693-N695 PolarHBondContact NH2-ND2 2.87Å; R693-N695 PolarHBondContact NH2-OD1 2.91Å; N695-M697 HydrophobicContact CB-SD 3.65Å; N695-M697 PolarHBondContact O-N 3.44Å |
| 696 | L | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 100.4 | 165.6 | -175.2 | 64.6 | 0 | 0 | 0 | 107.9 | M596 W642 V655 T657 T658 L664 V699 | M596-L696 HydrophobicContact CE-CD1 3.61Å; M596-L696 HydrophobicContact CG-CD1 3.88Å; W642-L696 HydrophobicContact CH2-CD2 3.46Å; W642-L696 VanDerWaalsContact CH2-CD2 3.46Å; W642-L696 HydrophobicContact CZ2-CD2 4.17Å; W642-L696 HydrophobicContact CZ3-CD2 3.89Å; V655-L696 PolarHBondContact O-N 2.91Å; T657-L696 CarbonylContact C-O 3.51Å; T657-L696 WeakPolarHBondContact CA-O 3.45Å; T657-L696 PolarHBondContact N-O 2.85Å; T657-L696 VanDerWaalsContact OG1-C 3.27Å; T657-L696 PolarHBondContact OG1-O 3.2Å; T658-L696 HydrophobicContact CG2-CB 4.45Å; T658-L696 HydrophobicContact CG2-CD2 4.18Å; T658-L696 HydrophobicContact CG2-CG 3.84Å; T658-L696 VanDerWaalsContact CG2-O 3.26Å; T658-L696 WeakPolarHBondContact CG2-O 3.28Å; T658-L696 PolarHBondContact N-O 3.16Å; L664-L696 HydrophobicContact CD1-CD2 3.94Å; L696-V699 HydrophobicContact CD1-CG2 3.69Å; L696-V699 HydrophobicContact CD2-CG2 3.71Å; L696-V699 HydrophobicContact CG-CG2 3.79Å |
| 697 | M | 96.7 | Very high | 94.5 | Very high | 67 Ų | 67 | 36.1 Ų | 36.1 | 33% | 0.33 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -45 | -171.3 | -59.1 | -59.5 | -63.4 | 0 | 0 | 111.4 | T582 Y595 R597 N695 | T582-M697 HydrophobicContact CG2-CB 4.26Å; T582-M697 HydrophobicContact CG2-CG 4.25Å; Y595-M697 PolarHBondContact O-N 2.98Å; R597-M697 HydrophobicContact CB-CG 4.44Å; R597-M697 HydrophobicContact CB-SD 4.45Å; R597-M697 HydrophobicContact CG-CG 4.07Å; R597-M697 HydrophobicContact CG-SD 4.36Å; N695-M697 HydrophobicContact CB-SD 3.65Å; N695-M697 PolarHBondContact O-N 3.44Å |
| 698 | D | 96.2 | Very high | 94.5 | Very high | 74 Ų | 74 | 36.6 Ų | 36.6 | 40% | 0.396 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 161.6 | -180 | -164.7 | 15.2 | 0 | 0 | 0 | 110.9 | Y595 | Y595-D698 WeakPolarHBondContact CB-O 3.34Å; Y595-D698 HydrophobicContact CD2-CB 3.83Å; Y595-D698 WeakPolarHBondContact CD2-O 3.45Å; Y595-D698 HydrophobicContact CG-CB 4.21Å; Y595-D698 PolarHBondContact N-O 3.01Å; Y595-D698 PolarHBondContact O-N 3.42Å |
| 699 | V | 96.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 128.9 | 179.7 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | R593 L594 T658 V661 L664 I667 L696 L701 | R593-V699 CarbonylContact O-C 3.54Å; R593-V699 WeakPolarHBondContact O-CA 3.46Å; L594-V699 HydrophobicContact CD2-CB 4.45Å; L594-V699 HydrophobicContact CD2-CG1 3.73Å; L594-V699 HydrophobicContact CD2-CG2 4.05Å; T658-V699 HydrophobicContact CG2-CG2 4.25Å; V661-V699 HydrophobicContact CG1-CB 3.99Å; V661-V699 HydrophobicContact CG1-CG1 4.44Å; L664-V699 HydrophobicContact CD1-CB 4.41Å; L664-V699 HydrophobicContact CD1-CG2 3.89Å; I667-V699 HydrophobicContact CD1-CG1 3.96Å; I667-V699 HydrophobicContact CD1-CG2 4.46Å; L696-V699 HydrophobicContact CD1-CG2 3.69Å; L696-V699 HydrophobicContact CD2-CG2 3.71Å; L696-V699 HydrophobicContact CG-CG2 3.79Å; V699-L701 HydrophobicContact CG1-CD1 3.99Å; V699-L701 HydrophobicContact CG1-CD2 3.35Å; V699-L701 HydrophobicContact CG1-CG 3.38Å |
| 700 | V | 95.3 | Very high | 94.2 | Very high | 62 Ų | 62 | 37.8 Ų | 37.8 | 38% | 0.376 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118 | 164.8 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | N592 R593 Y595 | N592-V700 CarbonylContact C-O 3.5Å; N592-V700 WeakPolarHBondContact CA-O 3.21Å; R593-V700 HydrophobicContact CB-CB 4.02Å; R593-V700 HydrophobicContact CB-CG2 4.42Å; R593-V700 HydrophobicContact CG-CB 4.29Å; R593-V700 PolarHBondContact N-O 3.21Å; R593-V700 PolarHBondContact O-N 2.9Å; Y595-V700 HydrophobicContact CE2-CG2 4.26Å |
| 701 | L | 94.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 44.8 Ų | 44.8 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | trans | -113.7 | 141.2 | 178.8 | -63.4 | -178.6 | 0 | 0 | 0 | 111.3 | N592 I667 V699 I713 | N592-L701 HydrophobicContact CB-CD2 4.19Å; I667-L701 HydrophobicContact CD1-CD1 4.3Å; I667-L701 HydrophobicContact CD1-CD2 4.13Å; I667-L701 HydrophobicContact CG1-CD1 4.19Å; I667-L701 HydrophobicContact CG2-CD1 3.94Å; I667-L701 HydrophobicContact CG2-CD2 3.92Å; V699-L701 HydrophobicContact CG1-CD1 3.99Å; V699-L701 HydrophobicContact CG1-CD2 3.35Å; V699-L701 HydrophobicContact CG1-CG 3.38Å; L701-I713 HydrophobicContact CD2-CD1 4.48Å | ||
| 702 | H | 93.6 | Very high | 93.9 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | trans | -64.1 | 150.6 | 169.1 | -163.8 | -93.8 | 0 | 0 | 0 | 110.7 | H591 N592 D704 H707 R708 | H591-H702 HydrophobicContact CB-CB 3.95Å; H591-H702 AromaticContact CG-CD2 3.77Å; H591-H702 AromaticContact ND1-CD2 3.82Å; N592-H702 PolarHBondContact OD1-N 2.61Å; N592-H702 VanDerWaalsContact OD1-N 3.09Å; H702-D704 PolarHBondContact ND1-N 3.47Å; H702-H707 HydrophobicContact CB-CB 3.84Å; H702-H707 AromaticContact CE1-CD2 3.44Å; H702-H707 PolarHBondContact CE1-CD2 3Å; H702-H707 VanDerWaalsContact CE1-CD2 3.44Å; H702-H707 AromaticContact CG-CD2 3.9Å; H702-H707 AromaticContact ND1-CD2 3.31Å; H702-H707 PolarHBondContact ND1-CD2 3.3Å; H702-H707 VanDerWaalsContact ND1-CD2 3.31Å; H702-H707 AromaticContact ND1-CG 3.96Å; H702-R708 WeakPolarHBondContact O-CD 3.23Å; H702-R708 PolarHBondContact O-NH1 2.64Å | ||
| 703 | A | 90.3 | Very high | 93.9 | Very high | 70 Ų | 70 | 46.4 Ų | 46.4 | 58% | 0.579 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -72.3 | -30.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R708 | A703-R708 PolarHBondContact O-NH1 3.34Š|
| 704 | D | 89.6 | Confident | 93.9 | Very high | 73 Ų | 73 | 47.4 Ų | 47.4 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -85.6 | 130.6 | 176.1 | -168 | -19.4 | 0 | 0 | 0 | 112.2 | H702 I706 H707 | H702-D704 PolarHBondContact ND1-N 3.47Å; D704-I706 VanDerWaalsContact C-N 3.3Å; D704-I706 HydrophobicContact CB-CG1 4.42Å; D704-I706 PolarHBondContact O-N 2.88Å; D704-I706 PolarHBondContact OD1-N 3.47Å; D704-I706 VanDerWaalsContact OD1-N 3.15Å; D704-I706 WeakPolarHBondContact OD2-CD1 3.42Å; D704-H707 PolarHBondContact O-N 3.14Å |
| 705 | A | 88.5 | Confident | 93.8 | Very high | 51 Ų | 51 | 49.3 Ų | 49.3 | 42% | 0.421 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -62.8 | -29.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H707 R708 | A705-H707 PolarHBondContact O-N 2.81Å; A705-H707 VanDerWaalsContact O-N 3.11Å; A705-R708 PolarHBondContact O-N 2.89Å |
| 706 | I | 88.9 | Confident | 93.8 | Very high | 123 Ų | 123 | 48.9 Ų | 48.9 | 63% | 0.631 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -60.5 | -27 | 178.9 | 70.7 | -176.9 | 0 | 0 | 0 | 111.9 | D704 | D704-I706 VanDerWaalsContact C-N 3.3Å; D704-I706 HydrophobicContact CB-CG1 4.42Å; D704-I706 PolarHBondContact O-N 2.88Å; D704-I706 PolarHBondContact OD1-N 3.47Å; D704-I706 VanDerWaalsContact OD1-N 3.15Å; D704-I706 WeakPolarHBondContact OD2-CD1 3.42Å |
| 707 | H | 90.5 | Very high | 93.8 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -87.5 | -4.7 | 178.8 | -64.8 | -53.7 | 0 | 0 | 0 | 113.1 | N589 N592 H702 D704 A705 | N589-H707 PolarHBondContact ND2-ND1 3.49Å; N592-H707 PolarHBondContact ND2-O 3.42Å; H702-H707 HydrophobicContact CB-CB 3.84Å; H702-H707 AromaticContact CE1-CD2 3.44Å; H702-H707 PolarHBondContact CE1-CD2 3Å; H702-H707 VanDerWaalsContact CE1-CD2 3.44Å; H702-H707 AromaticContact CG-CD2 3.9Å; H702-H707 AromaticContact ND1-CD2 3.31Å; H702-H707 PolarHBondContact ND1-CD2 3.3Å; H702-H707 VanDerWaalsContact ND1-CD2 3.31Å; H702-H707 AromaticContact ND1-CG 3.96Å; D704-H707 PolarHBondContact O-N 3.14Å; A705-H707 PolarHBondContact O-N 2.81Å; A705-H707 VanDerWaalsContact O-N 3.11Å |
| 708 | R | 91.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -107.5 | 4.1 | -179 | -59.1 | -171.6 | -67.9 | -107.5 | 3.5 | 114.1 | E666 I667 H702 A703 A705 I713 | E666-R708 IonicContact OE1-CZ 3.34Å; E666-R708 IonicContact OE1-NH2 2.67Å; E666-R708 PolarHBondContact OE1-NH2 3.3Å; E666-R708 IonicContact OE2-CZ 3.57Å; E666-R708 IonicContact OE2-NE 2.89Å; E666-R708 PolarHBondContact OE2-NE 3.04Å; E666-R708 IonicContact OE2-NH2 3.43Å; E666-R708 PolarHBondContact OE2-NH2 2.57Å; I667-R708 HydrophobicContact CG2-CB 4.14Å; H702-R708 WeakPolarHBondContact O-CD 3.23Å; H702-R708 PolarHBondContact O-NH1 2.64Å; A703-R708 PolarHBondContact O-NH1 3.34Å; A705-R708 PolarHBondContact O-N 2.89Å; R708-I713 VanDerWaalsContact O-CG1 3.25Å; R708-I713 WeakPolarHBondContact O-CG1 3.46Å |
| 709 | G | 90.8 | Very high | 93.9 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -65.1 | 166.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N711 Q712 I713 | G709-N711 VanDerWaalsContact C-N 3.28Å; G709-N711 PolarHBondContact O-N 2.87Å; G709-N711 VanDerWaalsContact O-N 3.14Å; G709-Q712 WeakPolarHBondContact O-CB 3.26Å; G709-Q712 PolarHBondContact O-N 3.14Å; G709-I713 PolarHBondContact O-N 2.87Å |
| 710 | G | 91.5 | Very high | 94 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 25% | 0.247 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -53.1 | -38.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S670 Q712 I713 I714 | S670-G710 WeakPolarHBondContact OG-CA 3.32Å; G710-Q712 PolarHBondContact O-N 3.21Å; G710-Q712 VanDerWaalsContact O-N 3.14Å; G710-I713 PolarHBondContact O-N 3.14Å; G710-I714 WeakPolarHBondContact O-CB 3.31Å; G710-I714 VanDerWaalsContact O-CG1 3.28Å; G710-I714 WeakPolarHBondContact O-CG1 3.44Å; G710-I714 PolarHBondContact O-N 3.14Å |
| 711 | N | 93.3 | Very high | 94.1 | Very high | 154 Ų | 154 | 44.2 Ų | 44.2 | 82% | 0.824 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.4 | -22.6 | 176.5 | -67.7 | -13.6 | 0 | 0 | 0 | 113.7 | G709 | G709-N711 VanDerWaalsContact C-N 3.28Å; G709-N711 PolarHBondContact O-N 2.87Å; G709-N711 VanDerWaalsContact O-N 3.14Å |
| 712 | Q | 94 | Very high | 94.3 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 19% | 0.192 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -95.3 | -31.5 | 177.3 | -61.3 | -59.2 | -44.5 | 0 | 0 | 112.4 | S587 N589 G709 G710 T716 | S587-Q712 WeakPolarHBondContact CB-O 3.39Å; N589-Q712 PolarHBondContact ND2-OE1 3.21Å; N589-Q712 PolarHBondContact OD1-OE1 2.83Å; G709-Q712 WeakPolarHBondContact O-CB 3.26Å; G709-Q712 PolarHBondContact O-N 3.14Å; G710-Q712 PolarHBondContact O-N 3.21Å; G710-Q712 VanDerWaalsContact O-N 3.14Å; Q712-T716 WeakPolarHBondContact O-CB 3.42Å; Q712-T716 PolarHBondContact O-OG1 3.34Å |
| 713 | I | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -96.4 | -41.6 | -171.9 | -59.4 | -58.3 | 0 | 0 | 0 | 112.5 | N592 I667 V671 L701 R708 G709 G710 G715 T716 A717 | N592-I713 HydrophobicContact CB-CD1 4.06Å; I667-I713 HydrophobicContact CB-CG1 4.25Å; I667-I713 HydrophobicContact CB-CG2 4.17Å; I667-I713 HydrophobicContact CG2-CD1 3.97Å; I667-I713 HydrophobicContact CG2-CG1 3.87Å; V671-I713 HydrophobicContact CG2-CG2 3.83Å; L701-I713 HydrophobicContact CD2-CD1 4.48Å; R708-I713 VanDerWaalsContact O-CG1 3.25Å; R708-I713 WeakPolarHBondContact O-CG1 3.46Å; G709-I713 PolarHBondContact O-N 2.87Å; G710-I713 PolarHBondContact O-N 3.14Å; I713-G715 PolarHBondContact O-N 2.92Å; I713-T716 PolarHBondContact O-N 3.05Å; I713-A717 WeakPolarHBondContact O-CB 3.49Å; I713-A717 PolarHBondContact O-N 2.93Å |
| 714 | I | 97.1 | Very high | 94.9 | Very high | 49 Ų | 49 | 37.5 Ų | 37.5 | 25% | 0.251 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.2 | -53.2 | -170.3 | -65.3 | 169.7 | 0 | 0 | 0 | 111 | A673 A674 W677 G710 T716 A717 R718 | A673-I714 HydrophobicContact CB-CD1 4.43Å; A674-I714 HydrophobicContact CB-CG2 4.08Å; A674-I714 VanDerWaalsContact CB-O 3.23Å; A674-I714 WeakPolarHBondContact CB-O 3.23Å; W677-I714 HydrophobicContact CE3-CG2 4.36Å; G710-I714 WeakPolarHBondContact O-CB 3.31Å; G710-I714 VanDerWaalsContact O-CG1 3.28Å; G710-I714 WeakPolarHBondContact O-CG1 3.44Å; G710-I714 PolarHBondContact O-N 3.14Å; I714-T716 VanDerWaalsContact C-N 3.3Å; I714-T716 PolarHBondContact O-N 3.32Å; I714-A717 PolarHBondContact O-N 3.44Å; I714-R718 WeakPolarHBondContact O-CB 3.4Å; I714-R718 PolarHBondContact O-N 3.33Å |
| 715 | G | 96.8 | Very high | 95.3 | Very high | 41 Ų | 41 | 34.1 Ų | 34.1 | 42% | 0.423 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.4 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I713 R718 R719 | I713-G715 PolarHBondContact O-N 2.92Å; G715-R718 PolarHBondContact O-N 3.3Å; G715-R719 WeakPolarHBondContact O-CG 3.47Å; G715-R719 PolarHBondContact O-N 3.32Å |
| 716 | T | 97.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67 | -45.9 | 179.4 | -51.9 | 0 | 0 | 0 | 0 | 112 | S585 K586 S587 L594 Q712 I713 I714 R719 C720 | S585-T716 VanDerWaalsContact CB-O 3.27Å; S585-T716 WeakPolarHBondContact CB-O 3.28Å; S585-T716 WeakPolarHBondContact O-CG2 3.49Å; S585-T716 PolarHBondContact OG-O 3.25Å; K586-T716 VanDerWaalsContact C-CG2 3.46Å; S587-T716 VanDerWaalsContact CA-OG1 3.24Å; S587-T716 WeakPolarHBondContact CA-OG1 3.48Å; L594-T716 HydrophobicContact CD1-CG2 4.05Å; L594-T716 HydrophobicContact CG-CG2 4.1Å; Q712-T716 WeakPolarHBondContact O-CB 3.42Å; Q712-T716 PolarHBondContact O-OG1 3.34Å; I713-T716 PolarHBondContact O-N 3.05Å; I714-T716 VanDerWaalsContact C-N 3.3Å; I714-T716 PolarHBondContact O-N 3.32Å; T716-R719 PolarHBondContact O-N 3.49Å; T716-C720 PolarHBondContact O-N 3.02Å |
| 717 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L594 M596 V671 A674 I713 I714 R719 C720 F721 | L594-A717 VanDerWaalsContact CD1-CA 3.49Å; L594-A717 HydrophobicContact CD1-CB 3.6Å; M596-A717 HydrophobicContact CE-CB 4.36Å; V671-A717 HydrophobicContact CG1-CB 4.48Å; V671-A717 HydrophobicContact CG2-CB 4.3Å; A674-A717 HydrophobicContact CB-CB 3.58Å; I713-A717 WeakPolarHBondContact O-CB 3.49Å; I713-A717 PolarHBondContact O-N 2.93Å; I714-A717 PolarHBondContact O-N 3.44Å; A717-R719 PolarHBondContact O-N 3.2Å; A717-C720 WeakPolarHBondContact O-CB 3.17Å; A717-C720 PolarHBondContact O-N 3.32Å; A717-C720 VanDerWaalsContact O-N 3.11Å; A717-F721 HydrophobicContact CB-CE2 4.12Å; A717-F721 WeakPolarHBondContact O-CD2 3.46Å; A717-F721 WeakPolarHBondContact O-CG 3.41Å; A717-F721 PolarHBondContact O-N 3.18Å |
| 718 | R | 97.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 25 Ų | 25 | 16% | 0.162 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 176.5 | -173.8 | 177.1 | 179 | -171.3 | 5.8 | 112.4 | A674 A678 E681 I714 G715 C720 F721 Y722 | A674-R718 HydrophobicContact CB-CB 4.41Å; A678-R718 HydrophobicContact CB-CG 4.28Å; E681-R718 IonicContact OE2-CZ 2.68Å; E681-R718 IonicContact OE2-NH2 3.82Å; E681-R718 PolarHBondContact OE2-NH2 2.88Å; I714-R718 WeakPolarHBondContact O-CB 3.4Å; I714-R718 PolarHBondContact O-N 3.33Å; G715-R718 PolarHBondContact O-N 3.3Å; R718-C720 VanDerWaalsContact C-N 3.31Å; R718-C720 PolarHBondContact O-N 3.49Å; R718-F721 PolarHBondContact O-N 2.92Å; R718-Y722 HydrophobicContact CG-CD2 4.29Å; R718-Y722 HydrophobicContact CG-CE2 3.81Å; R718-Y722 VanDerWaalsContact CZ-OH 3.3Å; R718-Y722 PolarHBondContact NE-OH 3.28Å; R718-Y722 PolarHBondContact NH2-OH 3.48Å; R718-Y722 PolarHBondContact O-N 3.49Å; R718-Y722 VanDerWaalsContact O-N 3.09Å |
| 719 | R | 97.8 | Very high | 96.7 | Very high | 71 Ų | 71 | 29.8 Ų | 29.8 | 27% | 0.268 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 174.3 | -71.4 | 177.8 | 70.4 | -139.2 | -2.6 | 111.1 | S585 G715 T716 A717 F721 Y722 A723 N845 F846 D848 | S585-R719 WeakPolarHBondContact OG-CB 3.48Å; S585-R719 PolarHBondContact OG-NH1 3.15Å; G715-R719 WeakPolarHBondContact O-CG 3.47Å; G715-R719 PolarHBondContact O-N 3.32Å; T716-R719 PolarHBondContact O-N 3.49Å; A717-R719 PolarHBondContact O-N 3.2Å; R719-F721 PolarHBondContact O-N 2.61Å; R719-Y722 PolarHBondContact O-N 3.39Å; R719-A723 PolarHBondContact O-N 3.36Å; R719-N845 PolarHBondContact NE-O 2.91Å; R719-N845 PolarHBondContact NH2-O 2.8Å; R719-F846 HydrophobicContact CB-CD1 4.32Å; R719-F846 HydrophobicContact CG-CD1 4.15Å; R719-F846 WeakPolarHBondContact O-CB 3.26Å; R719-D848 IonicContact CZ-OD1 3.1Å; R719-D848 IonicContact CZ-OD2 3.19Å; R719-D848 IonicContact NH1-OD1 3.54Å; R719-D848 PolarHBondContact NH1-OD1 2.67Å; R719-D848 IonicContact NH1-OD2 3.4Å; R719-D848 PolarHBondContact NH1-OD2 2.84Å; R719-D848 IonicContact NH2-OD1 3.98Å; R719-D848 PolarHBondContact NH2-OD1 3.02Å; R719-D848 IonicContact NH2-OD2 3.99Å |
| 720 | C | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 179.6 | -154.3 | 0 | 0 | 0 | 0 | 112.2 | C583 L594 M596 T716 A717 R718 Y722 A723 S724 | C583-C720 PolarHBondContact O-SG 3.43Å; L594-C720 HydrophobicContact CB-CB 4.47Å; L594-C720 PolarHBondContact O-SG 2.86Å; M596-C720 HydrophobicContact CG-CB 4.36Å; M596-C720 HydrophobicContact SD-CB 3.72Å; T716-C720 PolarHBondContact O-N 3.02Å; A717-C720 WeakPolarHBondContact O-CB 3.17Å; A717-C720 PolarHBondContact O-N 3.32Å; A717-C720 VanDerWaalsContact O-N 3.11Å; R718-C720 VanDerWaalsContact C-N 3.31Å; R718-C720 PolarHBondContact O-N 3.49Å; C720-Y722 PolarHBondContact O-N 3.42Å; C720-A723 PolarHBondContact O-N 2.82Å; C720-S724 PolarHBondContact O-N 2.86Å; C720-S724 PolarHBondContact O-OG 2.84Å; C720-S724 VanDerWaalsContact O-OG 3.09Å |
| 721 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.7 | -46.5 | 173.6 | -66.7 | -50 | 0 | 0 | 0 | 112.4 | M596 V654 V671 A674 F675 A678 F694 A717 R718 R719 S724 V725 | M596-F721 HydrophobicContact CE-CD1 4.27Å; M596-F721 HydrophobicContact CE-CE1 3.65Å; M596-F721 HydrophobicContact CE-CE2 4.34Å; M596-F721 HydrophobicContact CE-CZ 3.68Å; M596-F721 HydrophobicContact SD-CD1 3.41Å; M596-F721 WeakPolarHBondContact SD-CD1 3.2Å; M596-F721 HydrophobicContact SD-CE1 3.33Å; M596-F721 WeakPolarHBondContact SD-CE1 3.47Å; M596-F721 HydrophobicContact SD-CG 4.12Å; M596-F721 HydrophobicContact SD-CZ 3.95Å; V654-F721 HydrophobicContact CG2-CE1 4.26Å; V654-F721 HydrophobicContact CG2-CZ 4.3Å; V671-F721 HydrophobicContact CG1-CE2 4.4Å; V671-F721 HydrophobicContact CG1-CZ 3.87Å; A674-F721 HydrophobicContact CB-CE2 4.2Å; F675-F721 HydrophobicContact CB-CE2 3.66Å; F675-F721 HydrophobicContact CB-CZ 3.74Å; F675-F721 HydrophobicContact CD2-CE1 4.11Å; F675-F721 HydrophobicContact CD2-CE2 4.3Å; F675-F721 AromaticContact CD2-CZ 3.95Å; F675-F721 HydrophobicContact CD2-CZ 3.95Å; F675-F721 HydrophobicContact CG-CZ 4.3Å; A678-F721 HydrophobicContact CB-CB 4.05Å; A678-F721 HydrophobicContact CB-CD2 3.96Å; A678-F721 HydrophobicContact CB-CG 4.34Å; F694-F721 HydrophobicContact CB-CD1 4.04Å; F694-F721 HydrophobicContact CB-CE1 3.84Å; F694-F721 HydrophobicContact CD1-CB 4.4Å; F694-F721 AromaticContact CD1-CD1 3.41Å; F694-F721 HydrophobicContact CD1-CD1 3.41Å; F694-F721 VanDerWaalsContact CD1-CD1 3.41Å; F694-F721 HydrophobicContact CD1-CE1 4.11Å; F694-F721 HydrophobicContact CD1-CG 4.33Å; F694-F721 HydrophobicContact CD2-CD1 4.39Å; F694-F721 HydrophobicContact CE1-CB 3.94Å; F694-F721 AromaticContact CE1-CD1 3.81Å; F694-F721 HydrophobicContact CE1-CD1 3.81Å; F694-F721 HydrophobicContact CE1-CG 4.31Å; F694-F721 AromaticContact CG-CD1 3.69Å; F694-F721 HydrophobicContact CG-CD1 3.69Å; F694-F721 AromaticContact CG-CE1 3.96Å; F694-F721 HydrophobicContact CG-CE1 3.96Å; F694-F721 HydrophobicContact CZ-CB 4.38Å; F694-F721 HydrophobicContact CZ-CD1 4.44Å; A717-F721 HydrophobicContact CB-CE2 4.12Å; A717-F721 WeakPolarHBondContact O-CD2 3.46Å; A717-F721 WeakPolarHBondContact O-CG 3.41Å; A717-F721 PolarHBondContact O-N 3.18Å; R718-F721 PolarHBondContact O-N 2.92Å; R719-F721 PolarHBondContact O-N 2.61Å; F721-S724 WeakPolarHBondContact O-CB 3.4Å; F721-S724 PolarHBondContact O-N 3.19Å; F721-V725 WeakPolarHBondContact O-CG2 3.38Å; F721-V725 PolarHBondContact O-N 3.14Å |
| 722 | Y | 98.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 20.4 Ų | 20.4 | 6% | 0.055 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.3 | -40.1 | 178.4 | -68.8 | -20.7 | 0 | 0 | 0 | 113.2 | A678 E681 V683 M689 R718 R719 C720 S724 V725 L726 F846 | A678-Y722 HydrophobicContact CB-CE1 4Å; E681-Y722 WeakPolarHBondContact O-CE1 3.26Å; E681-Y722 PolarHBondContact O-OH 2.85Å; V683-Y722 HydrophobicContact CB-CD1 3.72Å; V683-Y722 HydrophobicContact CB-CE1 4.18Å; V683-Y722 HydrophobicContact CB-CG 3.92Å; V683-Y722 HydrophobicContact CG2-CD1 4.31Å; V683-Y722 HydrophobicContact CG2-CD2 4.36Å; V683-Y722 HydrophobicContact CG2-CG 3.98Å; M689-Y722 HydrophobicContact CE-CD1 4.17Å; M689-Y722 HydrophobicContact CE-CE1 4.07Å; R718-Y722 HydrophobicContact CG-CD2 4.29Å; R718-Y722 HydrophobicContact CG-CE2 3.81Å; R718-Y722 VanDerWaalsContact CZ-OH 3.3Å; R718-Y722 PolarHBondContact NE-OH 3.28Å; R718-Y722 PolarHBondContact NH2-OH 3.48Å; R718-Y722 PolarHBondContact O-N 3.49Å; R718-Y722 VanDerWaalsContact O-N 3.09Å; R719-Y722 PolarHBondContact O-N 3.39Å; C720-Y722 PolarHBondContact O-N 3.42Å; Y722-S724 VanDerWaalsContact C-N 3.31Å; Y722-S724 PolarHBondContact O-N 2.89Å; Y722-V725 PolarHBondContact O-N 2.89Å; Y722-L726 WeakPolarHBondContact O-CG 3.5Å; Y722-L726 PolarHBondContact O-N 2.87Å; Y722-F846 HydrophobicContact CD2-CD1 4.17Å; Y722-F846 AromaticContact CD2-CE1 3.69Å; Y722-F846 HydrophobicContact CD2-CE1 3.69Å; Y722-F846 HydrophobicContact CD2-CE2 4.47Å; Y722-F846 AromaticContact CD2-CZ 3.85Å; Y722-F846 HydrophobicContact CD2-CZ 3.85Å; Y722-F846 HydrophobicContact CG-CZ 4.49Å |
| 723 | A | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | C583 R719 C720 V725 L726 T727 L843 F846 L847 | C583-A723 HydrophobicContact CB-CB 3.73Å; C583-A723 PolarHBondContact SG-O 3.43Å; C583-A723 VanDerWaalsContact SG-O 3.36Å; R719-A723 PolarHBondContact O-N 3.36Å; C720-A723 PolarHBondContact O-N 2.82Å; A723-V725 PolarHBondContact O-N 2.75Å; A723-L726 PolarHBondContact O-N 2.79Å; A723-T727 WeakPolarHBondContact O-CG2 3.22Å; A723-T727 PolarHBondContact O-N 2.81Å; A723-T727 PolarHBondContact O-OG1 2.89Å; A723-L843 HydrophobicContact CB-CD1 3.94Å; A723-F846 HydrophobicContact CB-CB 3.85Å; A723-L847 HydrophobicContact CB-CB 4.28Å |
| 724 | S | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.2 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | S579 C583 M596 C720 F721 Y722 T727 A728 | S579-S724 PolarHBondContact OG-O 2.81Å; C583-S724 PolarHBondContact SG-N 3.36Å; M596-S724 VanDerWaalsContact C-OG 3.26Å; M596-S724 WeakPolarHBondContact CB-OG 3.4Å; M596-S724 PolarHBondContact O-OG 2.75Å; M596-S724 VanDerWaalsContact O-OG 3.13Å; C720-S724 PolarHBondContact O-N 2.86Å; C720-S724 PolarHBondContact O-OG 2.84Å; C720-S724 VanDerWaalsContact O-OG 3.09Å; F721-S724 WeakPolarHBondContact O-CB 3.4Å; F721-S724 PolarHBondContact O-N 3.19Å; Y722-S724 VanDerWaalsContact C-N 3.31Å; Y722-S724 PolarHBondContact O-N 2.89Å; S724-T727 PolarHBondContact O-N 3.23Å; S724-T727 PolarHBondContact O-OG1 3.34Å; S724-A728 WeakPolarHBondContact O-CB 3.49Å; S724-A728 PolarHBondContact O-N 2.94Å |
| 725 | V | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.012 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.3 | -46.7 | 176.7 | 169.7 | 0 | 0 | 0 | 0 | 111.9 | V575 A598 V683 M689 F694 F721 Y722 A723 T727 A728 P730 | V575-V725 HydrophobicContact CG1-CB 4.29Å; V575-V725 HydrophobicContact CG1-CG1 3.9Å; V575-V725 HydrophobicContact CG1-CG2 4.29Å; A598-V725 HydrophobicContact CB-CG2 4.48Å; V683-V725 HydrophobicContact CG1-CB 4.29Å; V683-V725 HydrophobicContact CG1-CG1 3.75Å; M689-V725 HydrophobicContact CE-CG2 3.9Å; M689-V725 HydrophobicContact SD-CG2 4.25Å; F694-V725 HydrophobicContact CE1-CG2 3.73Å; F694-V725 HydrophobicContact CZ-CG2 3.55Å; F721-V725 WeakPolarHBondContact O-CG2 3.38Å; F721-V725 PolarHBondContact O-N 3.14Å; Y722-V725 PolarHBondContact O-N 2.89Å; A723-V725 PolarHBondContact O-N 2.75Å; V725-T727 PolarHBondContact O-N 2.92Å; V725-T727 VanDerWaalsContact O-N 3.16Å; V725-A728 PolarHBondContact O-N 2.88Å; V725-P730 HydrophobicContact CG1-CB 4Å |
| 726 | L | 97.6 | Very high | 97 | Very high | 25 Ų | 25 | 14.8 Ų | 14.8 | 13% | 0.131 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.4 | -20.6 | -179.3 | -70.2 | 175.7 | 0 | 0 | 0 | 113.3 | V683 Y722 A723 V840 P841 L843 F846 | V683-L726 HydrophobicContact CG1-CD2 3.89Å; V683-L726 HydrophobicContact CG1-CG 4.12Å; V683-L726 HydrophobicContact CG2-CD1 4.11Å; V683-L726 HydrophobicContact CG2-CD2 4.26Å; V683-L726 HydrophobicContact CG2-CG 4.17Å; Y722-L726 WeakPolarHBondContact O-CG 3.5Å; Y722-L726 PolarHBondContact O-N 2.87Å; A723-L726 PolarHBondContact O-N 2.79Å; L726-V840 HydrophobicContact CD2-CG1 3.95Å; L726-P841 WeakPolarHBondContact CD1-O 2.93Å; L726-L843 HydrophobicContact CB-CD1 4.13Å; L726-L843 HydrophobicContact CD1-CB 4.48Å; L726-L843 HydrophobicContact CD1-CD1 4.5Å; L726-F846 HydrophobicContact CD1-CD2 3.72Å; L726-F846 HydrophobicContact CD1-CE2 3.96Å |
| 727 | T | 97.7 | Very high | 96.7 | Very high | 10 Ų | 10 | 14.9 Ų | 14.9 | 6% | 0.061 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -1.8 | 177.2 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | S579 N580 Q581 C583 A723 S724 V725 L843 | S579-T727 WeakPolarHBondContact CA-O 3.43Å; S579-T727 WeakPolarHBondContact CB-OG1 3.39Å; S579-T727 PolarHBondContact OG-OG1 2.92Å; N580-T727 PolarHBondContact N-O 2.79Å; N580-T727 WeakPolarHBondContact OD1-CB 3.29Å; Q581-T727 HydrophobicContact CG-CG2 4.02Å; C583-T727 PolarHBondContact SG-OG1 2.96Å; C583-T727 VanDerWaalsContact SG-OG1 3.32Å; A723-T727 WeakPolarHBondContact O-CG2 3.22Å; A723-T727 PolarHBondContact O-N 2.81Å; A723-T727 PolarHBondContact O-OG1 2.89Å; S724-T727 PolarHBondContact O-N 3.23Å; S724-T727 PolarHBondContact O-OG1 3.34Å; V725-T727 PolarHBondContact O-N 2.92Å; V725-T727 VanDerWaalsContact O-N 3.16Å; T727-L843 HydrophobicContact CG2-CD1 3.9Å; T727-L843 HydrophobicContact CG2-CD2 3.71Å; T727-L843 HydrophobicContact CG2-CG 4.49Å |
| 728 | A | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -110.8 | 24.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V575 T576 E577 A598 S724 V725 | V575-A728 HydrophobicContact CB-CB 3.81Å; V575-A728 WeakPolarHBondContact CB-O 3.3Å; V575-A728 HydrophobicContact CG1-CB 3.65Å; V575-A728 HydrophobicContact CG2-CB 4.35Å; T576-A728 PolarHBondContact N-O 2.86Å; E577-A728 PolarHBondContact N-O 2.88Å; E577-A728 VanDerWaalsContact O-CB 3.31Å; E577-A728 WeakPolarHBondContact O-CB 3.49Å; A598-A728 HydrophobicContact CB-CB 4.08Å; S724-A728 WeakPolarHBondContact O-CB 3.49Å; S724-A728 PolarHBondContact O-N 2.94Å; V725-A728 PolarHBondContact O-N 2.88Å |
| 729 | K | 96.4 | Very high | 96 | Very high | 113 Ų | 113 | 14.4 Ų | 14.4 | 49% | 0.491 | 7% | 0.066 | S | C | . | . | trans | 51.4 | 74.1 | -171.7 | -67.1 | -164.9 | -176.2 | 164 | 0 | 112.3 | T576 E577 | T576-K729 PolarHBondContact N-O 2.98Å; T576-K729 VanDerWaalsContact N-O 3.12Å; T576-K729 WeakPolarHBondContact OG1-CB 3.44Å; T576-K729 PolarHBondContact OG1-O 2.98Å; E577-K729 HydrophobicContact CB-CB 4.41Å; E577-K729 HydrophobicContact CB-CD 4.46Å; E577-K729 HydrophobicContact CB-CG 4.41Å; E577-K729 VanDerWaalsContact CD-CE 3.42Å; E577-K729 HydrophobicContact CG-CD 4.03Å; E577-K729 HydrophobicContact CG-CG 4.5Å; E577-K729 WeakPolarHBondContact OE1-CE 3.18Å; E577-K729 IonicContact OE1-NZ 2.73Å; E577-K729 PolarHBondContact OE1-NZ 3.17Å; E577-K729 VanDerWaalsContact OE2-CD 3.26Å; E577-K729 WeakPolarHBondContact OE2-CD 3.34Å; E577-K729 WeakPolarHBondContact OE2-CE 3.42Å; E577-K729 IonicContact OE2-NZ 2.73Å; E577-K729 PolarHBondContact OE2-NZ 2.64Å | ||
| 730 | P | 97.2 | Very high | 95.4 | Very high | 9 Ų | 9 | 11.4 Ų | 11.4 | 6% | 0.058 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 142.5 | -178.6 | 30.6 | -36.4 | 0 | 0 | 0 | 111.2 | T574 L684 V725 P816 L817 | T574-P730 CarbonylContact O-C 3.6Å; T574-P730 WeakPolarHBondContact O-CA 3.31Å; L684-P730 HydrophobicContact CD1-CB 4.22Å; L684-P730 HydrophobicContact CD2-CB 4.08Å; L684-P730 HydrophobicContact CD2-CG 4.2Å; L684-P730 HydrophobicContact CG-CB 4.43Å; V725-P730 HydrophobicContact CG1-CB 4Å; P730-P816 WeakPolarHBondContact O-CD 3.26Å; P730-P816 WeakPolarHBondContact O-CG 3.5Å; P730-L817 HydrophobicContact CG-CD1 4.26Å; P730-L817 HydrophobicContact CG-CG 4.47Å |
| 731 | C | 96.8 | Very high | 95 | Very high | 7 Ų | 7 | 11.4 Ų | 11.4 | 5% | 0.047 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 169.5 | 176.2 | 75.9 | 0 | 0 | 0 | 0 | 111.7 | T574 T576 | T574-C731 WeakPolarHBondContact CG2-SG 3.43Å; T574-C731 PolarHBondContact N-O 3.4Å; T574-C731 PolarHBondContact O-N 2.79Å; T576-C731 HydrophobicContact CG2-CB 4.18Å; T576-C731 WeakPolarHBondContact CG2-SG 3.49Å |
| 732 | L | 96.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 142.4 | 171.8 | -70.5 | -175.3 | 0 | 0 | 0 | 110.4 | Y571 R572 E573 L684 Y812 P816 P823 A826 V827 | Y571-L732 HydrophobicContact CD1-CD1 4.45Å; Y571-L732 HydrophobicContact CG-CD1 4.44Å; R572-L732 CarbonylContact O-C 3.58Å; R572-L732 WeakPolarHBondContact O-CA 3.22Å; E573-L732 HydrophobicContact CG-CD2 3.98Å; L684-L732 HydrophobicContact CD1-CD2 4.03Å; L732-Y812 WeakPolarHBondContact O-CB 3.49Å; L732-Y812 PolarHBondContact O-N 3.2Å; L732-P816 HydrophobicContact CG-CB 4.44Å; L732-P823 HydrophobicContact CD1-CB 4.3Å; L732-A826 HydrophobicContact CD1-CB 4.24Å; L732-V827 HydrophobicContact CD1-CG2 3.74Å; L732-V827 HydrophobicContact CD2-CG2 4.44Å; L732-V827 HydrophobicContact CG-CG2 4.22Å |
| 733 | L | 95.6 | Very high | 93.3 | Very high | 9 Ų | 9 | 11.8 Ų | 11.8 | 5% | 0.047 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 128.7 | 164.6 | -58.8 | 172.7 | 0 | 0 | 0 | 109.4 | Y571 R572 T574 R690 W809 Q810 I811 | Y571-L733 WeakPolarHBondContact CA-O 3.41Å; Y571-L733 WeakPolarHBondContact CD1-O 3.29Å; R572-L733 HydrophobicContact CB-CB 4.15Å; R572-L733 HydrophobicContact CB-CD1 4.27Å; R572-L733 PolarHBondContact N-O 3.35Å; R572-L733 PolarHBondContact O-N 3.34Å; T574-L733 HydrophobicContact CG2-CD1 3.92Å; T574-L733 HydrophobicContact CG2-CD2 3.77Å; T574-L733 HydrophobicContact CG2-CG 3.59Å; R690-L733 HydrophobicContact CB-CD1 4.13Å; R690-L733 HydrophobicContact CG-CD1 4.01Å; L733-W809 HydrophobicContact CB-CB 4.16Å; L733-W809 HydrophobicContact CB-CE3 4Å; L733-W809 HydrophobicContact CD1-CB 4.06Å; L733-Q810 CarbonylContact C-O 3.48Å; L733-Q810 WeakPolarHBondContact CA-O 3.32Å; L733-I811 HydrophobicContact CD2-CG1 4.02Å |
| 734 | E | 93.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.009 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 141.4 | 168.2 | 69 | -175.9 | 161.2 | 0 | 0 | 110 | Y571 R759 Q810 Y812 | Y571-E734 HydrophobicContact CD1-CB 4.09Å; Y571-E734 HydrophobicContact CE1-CB 3.8Å; E734-R759 VanDerWaalsContact CD-NH2 3.27Å; E734-R759 IonicContact OE1-NH2 2.77Å; E734-R759 PolarHBondContact OE1-NH2 3.03Å; E734-R759 IonicContact OE2-CZ 3.41Å; E734-R759 IonicContact OE2-NH1 2.88Å; E734-R759 IonicContact OE2-NH2 3.12Å; E734-R759 PolarHBondContact OE2-NH2 3.31Å; E734-Q810 HydrophobicContact CG-CG 3.69Å; E734-Q810 PolarHBondContact N-O 3.05Å; E734-Q810 PolarHBondContact O-N 3.43Å; E734-Q810 PolarHBondContact OE1-NE2 3.38Å; E734-Y812 HydrophobicContact CB-CG 4.39Å; E734-Y812 HydrophobicContact CG-CD2 4.47Å; E734-Y812 WeakPolarHBondContact OE2-CD2 3.18Å |
| 735 | P | 93.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 143.8 | 173.6 | 26.7 | -24.8 | 0 | 0 | 0 | 110.1 | V496 V569 V782 F806 W809 | V496-P735 HydrophobicContact CB-CB 4.38Å; V496-P735 HydrophobicContact CB-CG 4.37Å; V496-P735 HydrophobicContact CG1-CB 4.11Å; V569-P735 HydrophobicContact CB-CG 4.39Å; P735-V782 HydrophobicContact CB-CB 4.42Å; P735-V782 HydrophobicContact CB-CG2 3.81Å; P735-V782 HydrophobicContact CG-CB 3.99Å; P735-V782 HydrophobicContact CG-CG2 3.94Å; P735-V782 VanDerWaalsContact O-CG2 3.3Å; P735-V782 WeakPolarHBondContact O-CG2 3.47Å; P735-V782 PolarHBondContact O-N 3.12Å; P735-F806 HydrophobicContact CB-CD2 3.98Å; P735-F806 HydrophobicContact CB-CE2 3.69Å; P735-W809 HydrophobicContact CB-CE3 3.99Å; P735-W809 HydrophobicContact CB-CH2 3.93Å; P735-W809 HydrophobicContact CB-CZ3 3.63Å; P735-W809 HydrophobicContact CG-CH2 4.22Å; P735-W809 HydrophobicContact CG-CZ3 3.83Å |
| 736 | V | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.9 | -177.5 | -176.1 | 0 | 0 | 0 | 0 | 110 | Y779 D807 H808 Q810 | V736-Y779 HydrophobicContact CG1-CD1 4.25Å; V736-Y779 HydrophobicContact CG1-CG 4.19Å; V736-D807 PolarHBondContact O-N 3.45Å; V736-H808 PolarHBondContact N-O 3.44Å; V736-Q810 HydrophobicContact CG2-CB 3.98Å; V736-Q810 HydrophobicContact CG2-CG 3.41Å; V736-Q810 VanDerWaalsContact CG2-CG 3.41Å |
| 737 | Y | 91.6 | Very high | 90.7 | Very high | 6 Ų | 6 | 20 Ų | 20 | 2% | 0.024 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 136.4 | 168 | -70.9 | -39.9 | 0 | 0 | 0 | 111.1 | V496 A541 G542 Y779 M780 V782 S785 C804 V805 F806 | V496-Y737 HydrophobicContact CG2-CE1 4Å; V496-Y737 WeakPolarHBondContact CG2-OH 3.07Å; A541-Y737 PolarHBondContact O-OH 3.35Å; G542-Y737 WeakPolarHBondContact CA-OH 3.15Å; Y737-Y779 CarbonylContact O-C 3.57Å; Y737-Y779 WeakPolarHBondContact O-CA 3.18Å; Y737-M780 PolarHBondContact N-O 3.09Å; Y737-M780 PolarHBondContact O-N 2.87Å; Y737-V782 HydrophobicContact CD1-CG2 3.75Å; Y737-V782 HydrophobicContact CD2-CB 4.27Å; Y737-V782 HydrophobicContact CD2-CG1 4.4Å; Y737-V782 HydrophobicContact CD2-CG2 3.77Å; Y737-V782 HydrophobicContact CE1-CG2 3.72Å; Y737-V782 HydrophobicContact CE2-CB 4.04Å; Y737-V782 HydrophobicContact CE2-CG1 3.67Å; Y737-V782 HydrophobicContact CE2-CG2 3.73Å; Y737-V782 HydrophobicContact CG-CG2 3.79Å; Y737-S785 WeakPolarHBondContact CE2-OG 3.48Å; Y737-C804 HydrophobicContact CD1-CB 4.21Å; Y737-C804 HydrophobicContact CD2-CB 3.59Å; Y737-C804 HydrophobicContact CE2-CB 4Å; Y737-C804 HydrophobicContact CG-CB 3.71Å; Y737-V805 CarbonylContact C-O 3.59Å; Y737-V805 WeakPolarHBondContact CA-O 3.36Å; Y737-V805 VanDerWaalsContact CD1-C 3.47Å; Y737-F806 HydrophobicContact CD1-CB 4.35Å; Y737-F806 HydrophobicContact CE1-CB 4.31Å |
| 738 | L | 90.6 | Very high | 90.3 | Very high | 33 Ų | 33 | 20.2 Ų | 20.2 | 17% | 0.173 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 116.6 | 150.8 | 177.1 | 64.4 | 0 | 0 | 0 | 107.7 | L763 K777 Y779 V805 D807 | L738-L763 HydrophobicContact CD1-CD1 3.82Å; L738-K777 HydrophobicContact CD1-CB 4.37Å; L738-Y779 HydrophobicContact CB-CD1 4.48Å; L738-Y779 HydrophobicContact CB-CE1 4.41Å; L738-Y779 HydrophobicContact CD1-CD1 4.19Å; L738-Y779 HydrophobicContact CD1-CE1 3.98Å; L738-V805 PolarHBondContact N-O 3.05Å; L738-V805 PolarHBondContact O-N 2.75Å; L738-D807 HydrophobicContact CB-CB 3.79Å |
| 739 | V | 90.3 | Very high | 90 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 119 | 179.3 | -169.8 | 0 | 0 | 0 | 0 | 108.5 | I741 K777 A778 M780 F788 P802 Q803 | V739-I741 HydrophobicContact CG1-CD1 4.07Å; V739-I741 HydrophobicContact CG1-CG1 3.8Å; V739-K777 CarbonylContact O-C 3.3Å; V739-K777 VanDerWaalsContact O-CA 3.3Å; V739-K777 WeakPolarHBondContact O-CA 3.44Å; V739-A778 WeakPolarHBondContact CB-O 3.49Å; V739-A778 PolarHBondContact N-O 3.22Å; V739-A778 PolarHBondContact O-N 3.5Å; V739-M780 HydrophobicContact CG2-CB 3.43Å; V739-M780 VanDerWaalsContact CG2-CB 3.43Å; V739-M780 HydrophobicContact CG2-CE 3.64Å; V739-M780 HydrophobicContact CG2-CG 4.44Å; V739-M780 HydrophobicContact CG2-SD 4.38Å; V739-F788 HydrophobicContact CG1-CE1 3.64Å; V739-F788 HydrophobicContact CG1-CZ 4.1Å; V739-P802 HydrophobicContact CG1-CB 4.38Å; V739-Q803 CarbonylContact C-O 3.59Å; V739-Q803 VanDerWaalsContact CA-O 3.26Å; V739-Q803 WeakPolarHBondContact CA-O 3.24Å |
| 740 | E | 86.2 | Confident | 89.8 | Confident | 8 Ų | 8 | 18 Ų | 18 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127 | 167.6 | 176.4 | 156.3 | 115.1 | 0 | 0 | 109.3 | V146 I775 T776 K777 P802 Q803 | V146-E740 WeakPolarHBondContact CB-OE1 3.37Å; V146-E740 VanDerWaalsContact CG2-CD 3.4Å; V146-E740 WeakPolarHBondContact CG2-OE2 3.12Å; V146-E740 PolarHBondContact N-OE1 2.79Å; E740-I775 HydrophobicContact CG-CG2 3.7Å; E740-T776 WeakPolarHBondContact CA-O 3.49Å; E740-K777 WeakPolarHBondContact OE2-CE 3.41Å; E740-K777 IonicContact OE2-NZ 3.12Å; E740-P802 CarbonylContact O-C 3.54Å; E740-P802 WeakPolarHBondContact O-CA 3.44Å; E740-Q803 PolarHBondContact N-O 2.67Å; E740-Q803 PolarHBondContact O-N 3.45Å |
| 741 | I | 87.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.1 | 179.1 | -54.9 | 170.5 | 0 | 0 | 0 | 108 | V739 I751 L755 I775 T776 F788 L792 A800 P802 | V739-I741 HydrophobicContact CG1-CD1 4.07Å; V739-I741 HydrophobicContact CG1-CG1 3.8Å; I741-I751 HydrophobicContact CB-CG2 4.26Å; I741-I751 HydrophobicContact CD1-CG2 3.67Å; I741-I751 HydrophobicContact CG2-CD1 3.74Å; I741-I751 HydrophobicContact CG2-CG1 3.92Å; I741-I751 HydrophobicContact CG2-CG2 4.04Å; I741-L755 HydrophobicContact CD1-CD1 4.01Å; I741-L755 HydrophobicContact CD1-CD2 3.83Å; I741-L755 HydrophobicContact CD1-CG 3.94Å; I741-I775 WeakPolarHBondContact O-CA 3.41Å; I741-T776 PolarHBondContact N-O 2.59Å; I741-T776 PolarHBondContact O-N 2.83Å; I741-F788 HydrophobicContact CD1-CE1 4.34Å; I741-F788 HydrophobicContact CD1-CZ 3.73Å; I741-L792 HydrophobicContact CD1-CD1 4.39Å; I741-L792 HydrophobicContact CD1-CD2 4.21Å; I741-L792 HydrophobicContact CG1-CD2 4.28Å; I741-L792 HydrophobicContact CG2-CD2 3.82Å; I741-A800 HydrophobicContact CG2-CB 3.89Å; I741-P802 HydrophobicContact CG1-CB 4.24Å |
| 742 | Q | 80 | Confident | 89.5 | Confident | 21 Ų | 21 | 20.5 Ų | 20.5 | 10% | 0.098 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.2 | 171.4 | -163.7 | -173.9 | -3.2 | 0 | 0 | 109.1 | S142 M773 C774 I775 A800 F801 | S142-Q742 PolarHBondContact OG-NE2 2.96Å; Q742-M773 HydrophobicContact CG-CB 4.49Å; Q742-M773 HydrophobicContact CG-CE 3.75Å; Q742-C774 WeakPolarHBondContact CA-O 3.27Å; Q742-I775 HydrophobicContact CG-CG1 4.44Å; Q742-A800 VanDerWaalsContact O-CA 3.29Å; Q742-A800 WeakPolarHBondContact O-CA 3.38Å; Q742-F801 PolarHBondContact N-O 2.8Å; Q742-F801 PolarHBondContact O-N 2.94Å |
| 743 | G | 82.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 162.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M773 C774 | G743-M773 CarbonylContact O-C 3.59Å; G743-M773 WeakPolarHBondContact O-CA 3.24Å; G743-C774 PolarHBondContact N-O 2.61Å; G743-C774 VanDerWaalsContact N-O 3.13Å; G743-C774 PolarHBondContact O-N 3.04Å |
| 744 | P | 81.8 | Confident | 89.3 | Confident | 20 Ų | 20 | 23.3 Ų | 23.3 | 13% | 0.13 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 154.2 | 175.2 | 28.7 | -34.2 | 0 | 0 | 0 | 110.8 | T746 A747 P772 M773 Q799 | P744-T746 PolarHBondContact O-N 3.44Å; P744-A747 HydrophobicContact CG-CB 3.94Å; P744-A747 WeakPolarHBondContact O-CB 3.46Å; P744-A747 PolarHBondContact O-N 2.82Å; P744-P772 CarbonylContact C-O 3.41Å; P744-P772 VanDerWaalsContact CA-O 3.3Å; P744-P772 WeakPolarHBondContact CA-O 3.45Å; P744-M773 HydrophobicContact CB-SD 4.31Å; P744-Q799 VanDerWaalsContact CD-O 3.32Å; P744-Q799 WeakPolarHBondContact CD-O 3.27Å; P744-Q799 HydrophobicContact CG-CB 3.82Å; P744-Q799 HydrophobicContact CG-CG 4.42Å; P744-Q799 VanDerWaalsContact CG-OE1 3.32Å |
| 745 | A | 83.4 | Confident | 89.4 | Confident | 50 Ų | 50 | 23.2 Ų | 23.2 | 41% | 0.413 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -53.3 | -29.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A747 M748 P772 | A745-A747 VanDerWaalsContact C-N 3.28Å; A745-A747 PolarHBondContact O-N 3.39Å; A745-M748 WeakPolarHBondContact O-CB 3.36Å; A745-M748 VanDerWaalsContact O-CG 3.29Å; A745-M748 WeakPolarHBondContact O-CG 3.33Å; A745-M748 PolarHBondContact O-N 3.21Å; A745-P772 PolarHBondContact N-O 3.09Å |
| 746 | T | 85.5 | Confident | 89.4 | Confident | 123 Ų | 123 | 28.3 Ų | 28.3 | 76% | 0.755 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -66.3 | -25.4 | 175.6 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | P744 | P744-T746 PolarHBondContact O-N 3.44Š|
| 747 | A | 87.2 | Confident | 89.4 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 5% | 0.05 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -89.1 | -7.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | P744 A745 G749 G750 I751 T796 Q799 | P744-A747 HydrophobicContact CG-CB 3.94Å; P744-A747 WeakPolarHBondContact O-CB 3.46Å; P744-A747 PolarHBondContact O-N 2.82Å; A745-A747 VanDerWaalsContact C-N 3.28Å; A745-A747 PolarHBondContact O-N 3.39Å; A747-G749 VanDerWaalsContact C-N 3.32Å; A747-G749 PolarHBondContact O-N 2.85Å; A747-G750 WeakPolarHBondContact O-CA 3.44Å; A747-G750 PolarHBondContact O-N 3.1Å; A747-I751 WeakPolarHBondContact O-CG1 3.38Å; A747-I751 PolarHBondContact O-N 3.25Å; A747-T796 HydrophobicContact CB-CG2 3.99Å; A747-Q799 HydrophobicContact CB-CB 4.34Å |
| 748 | M | 89.5 | Confident | 89.4 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 7% | 0.074 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -38.1 | -172.7 | -70.6 | -61.3 | -57.6 | 0 | 0 | 114 | A745 G750 I751 Y752 E765 C774 T776 | A745-M748 WeakPolarHBondContact O-CB 3.36Å; A745-M748 VanDerWaalsContact O-CG 3.29Å; A745-M748 WeakPolarHBondContact O-CG 3.33Å; A745-M748 PolarHBondContact O-N 3.21Å; M748-G750 VanDerWaalsContact C-N 3.29Å; M748-G750 PolarHBondContact O-N 3.05Å; M748-I751 WeakPolarHBondContact O-CB 3.39Å; M748-I751 PolarHBondContact O-N 3.36Å; M748-I751 VanDerWaalsContact O-N 3.14Å; M748-I751 HydrophobicContact SD-CD1 3.83Å; M748-Y752 HydrophobicContact CE-CD2 4.01Å; M748-Y752 HydrophobicContact CE-CE2 3.34Å; M748-Y752 VanDerWaalsContact O-CD2 3.29Å; M748-Y752 WeakPolarHBondContact O-CD2 3.48Å; M748-Y752 PolarHBondContact O-N 3.1Å; M748-E765 HydrophobicContact CE-CG 3.88Å; M748-E765 WeakPolarHBondContact CE-OE2 3.39Å; M748-C774 HydrophobicContact CE-CB 4.46Å; M748-C774 HydrophobicContact CG-CB 4.3Å; M748-C774 HydrophobicContact SD-CB 3.47Å; M748-C774 WeakPolarHBondContact SD-CB 3.35Å; M748-T776 VanDerWaalsContact CE-OG1 3.28Å; M748-T776 WeakPolarHBondContact CE-OG1 3.46Å |
| 749 | G | 91 | Very high | 89.5 | Confident | 55 Ų | 55 | 38.6 Ų | 38.6 | 57% | 0.567 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -60.6 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A747 S753 | A747-G749 VanDerWaalsContact C-N 3.32Å; A747-G749 PolarHBondContact O-N 2.85Å; G749-S753 WeakPolarHBondContact O-CB 3.35Å; G749-S753 PolarHBondContact O-N 2.87Å; G749-S753 VanDerWaalsContact O-N 3.15Å; G749-S753 PolarHBondContact O-OG 2.9Å |
| 750 | G | 92.8 | Very high | 89.7 | Confident | 12 Ų | 12 | 39 Ų | 39 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.2 | -37.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A747 M748 S753 T754 | A747-G750 WeakPolarHBondContact O-CA 3.44Å; A747-G750 PolarHBondContact O-N 3.1Å; M748-G750 VanDerWaalsContact C-N 3.29Å; M748-G750 PolarHBondContact O-N 3.05Å; G750-S753 WeakPolarHBondContact CA-OG 3.4Å; G750-S753 PolarHBondContact O-OG 3Å; G750-S753 VanDerWaalsContact O-OG 3.04Å; G750-T754 WeakPolarHBondContact O-CB 3.32Å; G750-T754 PolarHBondContact O-N 3.23Å; G750-T754 VanDerWaalsContact O-N 3.17Å; G750-T754 PolarHBondContact O-OG1 3.48Å |
| 751 | I | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -55.4 | 177 | -64.2 | 171.5 | 0 | 0 | 0 | 110.8 | I741 A747 M748 S753 T754 L755 T776 L792 T796 A800 | I741-I751 HydrophobicContact CB-CG2 4.26Å; I741-I751 HydrophobicContact CD1-CG2 3.67Å; I741-I751 HydrophobicContact CG2-CD1 3.74Å; I741-I751 HydrophobicContact CG2-CG1 3.92Å; I741-I751 HydrophobicContact CG2-CG2 4.04Å; A747-I751 WeakPolarHBondContact O-CG1 3.38Å; A747-I751 PolarHBondContact O-N 3.25Å; M748-I751 WeakPolarHBondContact O-CB 3.39Å; M748-I751 PolarHBondContact O-N 3.36Å; M748-I751 VanDerWaalsContact O-N 3.14Å; M748-I751 HydrophobicContact SD-CD1 3.83Å; I751-S753 PolarHBondContact O-N 3.28Å; I751-T754 PolarHBondContact O-N 3.3Å; I751-L755 HydrophobicContact CG2-CD1 3.96Å; I751-L755 HydrophobicContact CG2-CG 4.49Å; I751-L755 WeakPolarHBondContact O-CG 3.36Å; I751-L755 PolarHBondContact O-N 3.3Å; I751-T776 HydrophobicContact CG2-CG2 4.39Å; I751-L792 HydrophobicContact CB-CD1 4.47Å; I751-L792 HydrophobicContact CG1-CD1 4.15Å; I751-T796 HydrophobicContact CG1-CG2 3.94Å; I751-A800 HydrophobicContact CD1-CB 4.07Å; I751-A800 HydrophobicContact CG1-CB 4.07Å |
| 752 | Y | 94 | Very high | 90.5 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 27% | 0.267 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | -178.1 | -81.8 | -68.3 | 0 | 0 | 0 | 113.3 | M748 T754 L755 N756 T762 E765 | M748-Y752 HydrophobicContact CE-CD2 4.01Å; M748-Y752 HydrophobicContact CE-CE2 3.34Å; M748-Y752 VanDerWaalsContact O-CD2 3.29Å; M748-Y752 WeakPolarHBondContact O-CD2 3.48Å; M748-Y752 PolarHBondContact O-N 3.1Å; Y752-T754 VanDerWaalsContact C-N 3.29Å; Y752-T754 PolarHBondContact O-N 3.01Å; Y752-L755 PolarHBondContact O-N 3.39Å; Y752-N756 WeakPolarHBondContact O-CB 3.25Å; Y752-N756 VanDerWaalsContact O-CG 3.27Å; Y752-N756 PolarHBondContact O-N 3.29Å; Y752-N756 PolarHBondContact O-ND2 3.06Å; Y752-T762 HydrophobicContact CE1-CG2 3.96Å; Y752-E765 WeakPolarHBondContact CE2-OE2 3.5Å; Y752-E765 PolarHBondContact OH-OE2 3.12Å |
| 753 | S | 94.1 | Very high | 91 | Very high | 68 Ų | 68 | 48.6 Ų | 48.6 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 178 | 55.7 | 0 | 0 | 0 | 0 | 112 | G749 G750 I751 R757 | G749-S753 WeakPolarHBondContact O-CB 3.35Å; G749-S753 PolarHBondContact O-N 2.87Å; G749-S753 VanDerWaalsContact O-N 3.15Å; G749-S753 PolarHBondContact O-OG 2.9Å; G750-S753 WeakPolarHBondContact CA-OG 3.4Å; G750-S753 PolarHBondContact O-OG 3Å; G750-S753 VanDerWaalsContact O-OG 3.04Å; I751-S753 PolarHBondContact O-N 3.28Å; S753-R757 PolarHBondContact O-N 3.5Å |
| 754 | T | 94.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.7 | -45.6 | 176.9 | -50 | 0 | 0 | 0 | 0 | 111.5 | G750 I751 Y752 R757 K758 F788 D791 L792 A795 | G750-T754 WeakPolarHBondContact O-CB 3.32Å; G750-T754 PolarHBondContact O-N 3.23Å; G750-T754 VanDerWaalsContact O-N 3.17Å; G750-T754 PolarHBondContact O-OG1 3.48Å; I751-T754 PolarHBondContact O-N 3.3Å; Y752-T754 VanDerWaalsContact C-N 3.29Å; Y752-T754 PolarHBondContact O-N 3.01Å; T754-R757 PolarHBondContact O-N 2.85Å; T754-K758 WeakPolarHBondContact O-CG 3.17Å; T754-K758 PolarHBondContact O-N 3.17Å; T754-F788 HydrophobicContact CG2-CD2 3.79Å; T754-F788 HydrophobicContact CG2-CE2 3.59Å; T754-D791 HydrophobicContact CG2-CB 3.87Å; T754-L792 HydrophobicContact CG2-CB 4.35Å; T754-L792 HydrophobicContact CG2-CD1 4.38Å; T754-A795 WeakPolarHBondContact OG1-CB 3.45Å |
| 755 | L | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.3 | -49.4 | 176.8 | -77.1 | 174.6 | 0 | 0 | 0 | 112.2 | I741 I751 Y752 R757 K758 A760 T776 A778 F788 | I741-L755 HydrophobicContact CD1-CD1 4.01Å; I741-L755 HydrophobicContact CD1-CD2 3.83Å; I741-L755 HydrophobicContact CD1-CG 3.94Å; I751-L755 HydrophobicContact CG2-CD1 3.96Å; I751-L755 HydrophobicContact CG2-CG 4.49Å; I751-L755 WeakPolarHBondContact O-CG 3.36Å; I751-L755 PolarHBondContact O-N 3.3Å; Y752-L755 PolarHBondContact O-N 3.39Å; L755-R757 VanDerWaalsContact C-N 3.29Å; L755-R757 PolarHBondContact O-N 2.72Å; L755-K758 CarbonylContact O-C 3.48Å; L755-K758 PolarHBondContact O-N 3.24Å; L755-A760 HydrophobicContact CB-CB 3.99Å; L755-A760 HydrophobicContact CD2-CB 3.59Å; L755-A760 HydrophobicContact CG-CB 4.4Å; L755-A760 VanDerWaalsContact O-CB 3.32Å; L755-A760 WeakPolarHBondContact O-CB 3.42Å; L755-A760 PolarHBondContact O-N 2.92Å; L755-T776 HydrophobicContact CD1-CG2 3.88Å; L755-A778 HydrophobicContact CD1-CB 3.99Å; L755-A778 HydrophobicContact CD2-CB 3.81Å; L755-F788 HydrophobicContact CD2-CE2 4.3Å; L755-F788 HydrophobicContact CD2-CZ 3.98Å |
| 756 | N | 93.3 | Very high | 91.8 | Very high | 109 Ų | 109 | 55.2 Ų | 55.2 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.1 | -37.9 | -179.2 | -73.9 | -19.8 | 0 | 0 | 0 | 112.3 | Y752 K758 R759 | Y752-N756 WeakPolarHBondContact O-CB 3.25Å; Y752-N756 VanDerWaalsContact O-CG 3.27Å; Y752-N756 PolarHBondContact O-N 3.29Å; Y752-N756 PolarHBondContact O-ND2 3.06Å; N756-K758 PolarHBondContact O-N 3.11Å; N756-R759 PolarHBondContact O-N 2.84Å |
| 757 | R | 93.7 | Very high | 91.3 | Very high | 154 Ų | 154 | 58 Ų | 58 | 58% | 0.581 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.3 | -26.2 | 176.8 | -171.7 | 170.6 | 68.6 | -165.7 | 4.8 | 112.7 | S753 T754 L755 D791 | S753-R757 PolarHBondContact O-N 3.5Å; T754-R757 PolarHBondContact O-N 2.85Å; L755-R757 VanDerWaalsContact C-N 3.29Å; L755-R757 PolarHBondContact O-N 2.72Å; R757-D791 IonicContact CZ-OD2 2.82Å; R757-D791 IonicContact NE-OD2 3.85Å; R757-D791 IonicContact NH2-OD1 2.84Å; R757-D791 PolarHBondContact NH2-OD1 3.47Å; R757-D791 IonicContact NH2-OD2 2.89Å; R757-D791 PolarHBondContact NH2-OD2 3.09Å |
| 758 | K | 92.7 | Very high | 90.3 | Very high | 27 Ų | 27 | 60 Ų | 60 | 12% | 0.117 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 23.8 | -176.6 | -62.5 | -57.2 | -153.2 | 146.6 | 0 | 113.6 | T754 L755 N756 A760 M780 E784 F786 F788 D791 | T754-K758 WeakPolarHBondContact O-CG 3.17Å; T754-K758 PolarHBondContact O-N 3.17Å; L755-K758 CarbonylContact O-C 3.48Å; L755-K758 PolarHBondContact O-N 3.24Å; N756-K758 PolarHBondContact O-N 3.11Å; K758-A760 PolarHBondContact O-N 3.24Å; K758-M780 HydrophobicContact CB-CG 4.39Å; K758-M780 HydrophobicContact CB-SD 3.83Å; K758-M780 HydrophobicContact CG-SD 4.41Å; K758-E784 HydrophobicContact CB-CB 4.05Å; K758-E784 HydrophobicContact CD-CB 4.48Å; K758-E784 WeakPolarHBondContact CD-O 3.21Å; K758-E784 VanDerWaalsContact CE-O 3.27Å; K758-E784 WeakPolarHBondContact CE-O 3.35Å; K758-E784 PolarHBondContact NZ-O 3.4Å; K758-E784 WeakPolarHBondContact O-CB 3.4Å; K758-E784 WeakPolarHBondContact O-CG 3.15Å; K758-F786 PolarHBondContact NZ-O 3.16Å; K758-F788 HydrophobicContact CG-CD2 4.04Å; K758-D791 WeakPolarHBondContact CE-OD2 3.47Å |
| 759 | R | 93.1 | Very high | 88.9 | Confident | 73 Ų | 73 | 64 Ų | 64 | 28% | 0.275 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 23 | -175.7 | -66.4 | 162.6 | 46.6 | -161 | -4.9 | 113.8 | E734 N756 P781 E784 | E734-R759 VanDerWaalsContact CD-NH2 3.27Å; E734-R759 IonicContact OE1-NH2 2.77Å; E734-R759 PolarHBondContact OE1-NH2 3.03Å; E734-R759 IonicContact OE2-CZ 3.41Å; E734-R759 IonicContact OE2-NH1 2.88Å; E734-R759 IonicContact OE2-NH2 3.12Å; E734-R759 PolarHBondContact OE2-NH2 3.31Å; N756-R759 PolarHBondContact O-N 2.84Å; R759-P781 HydrophobicContact CB-CG 4.46Å; R759-E784 HydrophobicContact CB-CG 4.3Å; R759-E784 VanDerWaalsContact CD-OE1 3.29Å; R759-E784 WeakPolarHBondContact CD-OE1 3.18Å; R759-E784 IonicContact CZ-OE1 3.45Å; R759-E784 IonicContact NE-OE1 2.8Å; R759-E784 IonicContact NH1-OE1 3.11Å; R759-E784 PolarHBondContact NH1-OE1 3.01Å |
| 760 | A | 94.4 | Very high | 87.4 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | trans | -77.7 | 142 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L755 K758 A778 Y779 M780 | L755-A760 HydrophobicContact CB-CB 3.99Å; L755-A760 HydrophobicContact CD2-CB 3.59Å; L755-A760 HydrophobicContact CG-CB 4.4Å; L755-A760 VanDerWaalsContact O-CB 3.32Å; L755-A760 WeakPolarHBondContact O-CB 3.42Å; L755-A760 PolarHBondContact O-N 2.92Å; K758-A760 PolarHBondContact O-N 3.24Å; A760-A778 HydrophobicContact CB-CB 4.36Å; A760-Y779 CarbonylContact C-O 3.51Å; A760-Y779 WeakPolarHBondContact CA-O 3.4Å; A760-Y779 WeakPolarHBondContact CB-O 3.49Å; A760-M780 HydrophobicContact CB-CB 3.91Å; A760-M780 HydrophobicContact CB-CG 4.15Å | ||
| 761 | I | 94.5 | Very high | 85.9 | Confident | 108 Ų | 108 | 63.6 Ų | 63.6 | 55% | 0.554 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 115.1 | 176.9 | -59.3 | 173.7 | 0 | 0 | 0 | 107.5 | A778 Y779 | I761-A778 CarbonylContact O-C 3.45Å; I761-A778 WeakPolarHBondContact O-CA 3.39Å; I761-A778 WeakPolarHBondContact O-CB 3.42Å; I761-Y779 PolarHBondContact N-O 3.19Å; I761-Y779 PolarHBondContact O-N 3.25Å |
| 762 | T | 94.5 | Very high | 84.8 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 28% | 0.276 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 131.6 | 177.8 | -56.1 | 0 | 0 | 0 | 0 | 110.2 | Y752 T776 | Y752-T762 HydrophobicContact CE1-CG2 3.96Å; T762-T776 HydrophobicContact CG2-CG2 3.87Å |
| 763 | L | 92.3 | Very high | 83.9 | Confident | 78 Ų | 78 | 66 Ų | 66 | 41% | 0.408 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -49.3 | -179.8 | -58.4 | 173.1 | 0 | 0 | 0 | 111.6 | L738 K777 Y779 | L738-L763 HydrophobicContact CD1-CD1 3.82Å; L763-K777 HydrophobicContact CB-CB 4.46Å; L763-K777 PolarHBondContact N-O 3.29Å; L763-Y779 HydrophobicContact CD1-CD1 3.83Å; L763-Y779 HydrophobicContact CD1-CD2 3.92Å; L763-Y779 HydrophobicContact CD1-CE1 3.57Å; L763-Y779 HydrophobicContact CD1-CE2 3.67Å; L763-Y779 HydrophobicContact CD1-CG 3.96Å; L763-Y779 VanDerWaalsContact CD1-CZ 3.47Å; L763-Y779 HydrophobicContact CD2-CD2 3.58Å; L763-Y779 HydrophobicContact CD2-CE2 3.5Å; L763-Y779 HydrophobicContact CD2-CG 4.3Å; L763-Y779 HydrophobicContact CG-CD2 4.15Å; L763-Y779 HydrophobicContact CG-CE2 4.16Å; L763-Y779 HydrophobicContact CG-CG 4.41Å |
| 764 | S | 91.1 | Very high | 83.4 | Confident | 36 Ų | 36 | 62.8 Ų | 62.8 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 150.3 | -179.8 | 66 | 0 | 0 | 0 | 0 | 112.3 | T776 K777 | S764-T776 WeakPolarHBondContact O-CA 3.5Å; S764-K777 PolarHBondContact N-O 3.39Å; S764-K777 PolarHBondContact O-N 3.1Å |
| 765 | E | 88.6 | Confident | 82.9 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 113.9 | 164.9 | 177.5 | -173.5 | 140.6 | 0 | 0 | 107.4 | M748 Y752 R767 I775 | M748-E765 HydrophobicContact CE-CG 3.88Å; M748-E765 WeakPolarHBondContact CE-OE2 3.39Å; Y752-E765 WeakPolarHBondContact CE2-OE2 3.5Å; Y752-E765 PolarHBondContact OH-OE2 3.12Å; E765-R767 IonicContact OE1-NE 3.74Å; E765-R767 PolarHBondContact OE1-NE 3.5Å; E765-R767 IonicContact OE1-NH2 2.81Å; E765-I775 WeakPolarHBondContact CA-O 3.28Å |
| 766 | E | 83.1 | Confident | 82.7 | Confident | 104 Ų | 104 | 63.3 Ų | 63.3 | 49% | 0.486 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.6 | 175.7 | -70.2 | 174.6 | -153 | 0 | 0 | 109 | C774 I775 | E766-C774 WeakPolarHBondContact O-CA 3.34Å; E766-I775 PolarHBondContact N-O 2.96Å; E766-I775 PolarHBondContact O-N 3.48Å |
| 767 | R | 75.7 | Confident | 82.6 | Confident | 182 Ų | 182 | 60.7 Ų | 60.7 | 69% | 0.687 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 119.5 | 166.4 | -62.8 | -169 | -179.4 | -177.8 | -0.4 | 108.2 | E765 S769 | E765-R767 IonicContact OE1-NE 3.74Å; E765-R767 PolarHBondContact OE1-NE 3.5Å; E765-R767 IonicContact OE1-NH2 2.81Å; R767-S769 PolarHBondContact O-N 3.07Å; R767-S769 VanDerWaalsContact O-N 3.17Å |
| 768 | K | 65.9 | Low | 82.7 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | trans | -65.4 | 119.5 | 170.3 | -70.7 | -177.6 | -179.8 | 170.8 | 0 | 107.4 | S142 D770 S771 M773 I775 | S142-K768 WeakPolarHBondContact O-CE 3.47Å; S142-K768 PolarHBondContact O-NZ 3.47Å; K768-D770 PolarHBondContact O-N 3.44Å; K768-S771 PolarHBondContact O-N 3.31Å; K768-M773 PolarHBondContact N-O 2.94Å; K768-I775 VanDerWaalsContact NZ-CD1 3.34Å | ||
| 769 | S | 59.5 | Low | 82.8 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 69% | 0.685 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25.5 | -172.8 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | R189 R767 | R189-S769 PolarHBondContact NH1-OG 2.66Å; R767-S769 PolarHBondContact O-N 3.07Å; R767-S769 VanDerWaalsContact O-N 3.17Å |
| 770 | D | 59.3 | Low | 82.9 | Confident | 42 Ų | 42 | 52 Ų | 52 | 23% | 0.225 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | 15.1 | -171.9 | -50.9 | 11.7 | 0 | 0 | 0 | 112.8 | K186 R189 K768 | K186-D770 WeakPolarHBondContact CE-O 3.4Å; K186-D770 HydrophobicContact CG-CB 4.45Å; K186-D770 PolarHBondContact NZ-O 2.75Å; R189-D770 IonicContact CZ-OD1 2.83Å; R189-D770 IonicContact CZ-OD2 3.73Å; R189-D770 IonicContact NH1-OD1 2.85Å; R189-D770 PolarHBondContact NH1-OD1 3.21Å; R189-D770 IonicContact NH1-OD2 2.89Å; R189-D770 PolarHBondContact NH1-OD2 3.12Å; R189-D770 IonicContact NH2-OD1 2.9Å; R189-D770 IonicContact NH2-OD2 2.75Å; R189-D770 PolarHBondContact NH2-OD2 3.48Å; K768-D770 PolarHBondContact O-N 3.44Å |
| 771 | S | 62.2 | Low | 82.9 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -137.5 | 141.9 | 179.8 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | K768 M773 | K768-S771 PolarHBondContact O-N 3.31Å; S771-M773 PolarHBondContact O-N 3.48Å; S771-M773 WeakPolarHBondContact OG-CB 3.46Å; S771-M773 VanDerWaalsContact OG-CG 3.26Å; S771-M773 WeakPolarHBondContact OG-CG 3.33Å; S771-M773 PolarHBondContact OG-N 3.15Å |
| 772 | P | 69.1 | Low | 82.8 | Confident | 78 Ų | 78 | 46.7 Ų | 46.7 | 51% | 0.506 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -64.7 | -3.4 | 172.2 | 29.4 | -35.9 | 0 | 0 | 0 | 112.7 | P744 A745 | P744-P772 CarbonylContact C-O 3.41Å; P744-P772 VanDerWaalsContact CA-O 3.3Å; P744-P772 WeakPolarHBondContact CA-O 3.45Å; A745-P772 PolarHBondContact N-O 3.09Å |
| 773 | M | 76.2 | Confident | 82.6 | Confident | 39 Ų | 39 | 47.2 Ų | 47.2 | 19% | 0.192 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 134.7 | -178.6 | -54.9 | -60.3 | -71.6 | 0 | 0 | 112.1 | Q742 G743 P744 K768 S771 | Q742-M773 HydrophobicContact CG-CB 4.49Å; Q742-M773 HydrophobicContact CG-CE 3.75Å; G743-M773 CarbonylContact O-C 3.59Å; G743-M773 WeakPolarHBondContact O-CA 3.24Å; P744-M773 HydrophobicContact CB-SD 4.31Å; K768-M773 PolarHBondContact N-O 2.94Å; S771-M773 PolarHBondContact O-N 3.48Å; S771-M773 WeakPolarHBondContact OG-CB 3.46Å; S771-M773 VanDerWaalsContact OG-CG 3.26Å; S771-M773 WeakPolarHBondContact OG-CG 3.33Å; S771-M773 PolarHBondContact OG-N 3.15Å |
| 774 | C | 82.6 | Confident | 82.6 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 144.6 | 169.1 | -56.6 | 0 | 0 | 0 | 0 | 108.9 | Q742 G743 M748 E766 | Q742-C774 WeakPolarHBondContact CA-O 3.27Å; G743-C774 PolarHBondContact N-O 2.61Å; G743-C774 VanDerWaalsContact N-O 3.13Å; G743-C774 PolarHBondContact O-N 3.04Å; M748-C774 HydrophobicContact CE-CB 4.46Å; M748-C774 HydrophobicContact CG-CB 4.3Å; M748-C774 HydrophobicContact SD-CB 3.47Å; M748-C774 WeakPolarHBondContact SD-CB 3.35Å; E766-C774 WeakPolarHBondContact O-CA 3.34Å |
| 775 | I | 83.8 | Confident | 82.6 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.2 | 166.1 | -62 | 174.7 | 0 | 0 | 0 | 107.4 | E740 I741 Q742 E765 E766 K768 K777 | E740-I775 HydrophobicContact CG-CG2 3.7Å; I741-I775 WeakPolarHBondContact O-CA 3.41Å; Q742-I775 HydrophobicContact CG-CG1 4.44Å; E765-I775 WeakPolarHBondContact CA-O 3.28Å; E766-I775 PolarHBondContact N-O 2.96Å; E766-I775 PolarHBondContact O-N 3.48Å; K768-I775 VanDerWaalsContact NZ-CD1 3.34Å; I775-K777 HydrophobicContact CG2-CG 4.35Å |
| 776 | T | 90.3 | Very high | 82.6 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.7 | 169.9 | -53 | 0 | 0 | 0 | 0 | 109.3 | E740 I741 M748 I751 L755 T762 S764 | E740-T776 WeakPolarHBondContact CA-O 3.49Å; I741-T776 PolarHBondContact N-O 2.59Å; I741-T776 PolarHBondContact O-N 2.83Å; M748-T776 VanDerWaalsContact CE-OG1 3.28Å; M748-T776 WeakPolarHBondContact CE-OG1 3.46Å; I751-T776 HydrophobicContact CG2-CG2 4.39Å; L755-T776 HydrophobicContact CD1-CG2 3.88Å; T762-T776 HydrophobicContact CG2-CG2 3.87Å; S764-T776 WeakPolarHBondContact O-CA 3.5Å |
| 777 | K | 91.7 | Very high | 82.8 | Confident | 53 Ų | 53 | 38.8 Ų | 38.8 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.9 | 171.3 | -69.1 | -179.2 | 177.1 | 174.7 | 0 | 109.9 | L738 V739 E740 L763 S764 I775 | L738-K777 HydrophobicContact CD1-CB 4.37Å; V739-K777 CarbonylContact O-C 3.3Å; V739-K777 VanDerWaalsContact O-CA 3.3Å; V739-K777 WeakPolarHBondContact O-CA 3.44Å; E740-K777 WeakPolarHBondContact OE2-CE 3.41Å; E740-K777 IonicContact OE2-NZ 3.12Å; L763-K777 HydrophobicContact CB-CB 4.46Å; L763-K777 PolarHBondContact N-O 3.29Å; S764-K777 PolarHBondContact N-O 3.39Å; S764-K777 PolarHBondContact O-N 3.1Å; I775-K777 HydrophobicContact CG2-CG 4.35Å |
| 778 | A | 95.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 149.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V739 L755 A760 I761 | V739-A778 WeakPolarHBondContact CB-O 3.49Å; V739-A778 PolarHBondContact N-O 3.22Å; V739-A778 PolarHBondContact O-N 3.5Å; L755-A778 HydrophobicContact CD1-CB 3.99Å; L755-A778 HydrophobicContact CD2-CB 3.81Å; A760-A778 HydrophobicContact CB-CB 4.36Å; I761-A778 CarbonylContact O-C 3.45Å; I761-A778 WeakPolarHBondContact O-CA 3.39Å; I761-A778 WeakPolarHBondContact O-CB 3.42Å |
| 779 | Y | 95.9 | Very high | 84.3 | Confident | 72 Ų | 72 | 30.5 Ų | 30.5 | 28% | 0.282 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 128.6 | 165.5 | -69.9 | -38.3 | 0 | 0 | 0 | 110 | V736 Y737 L738 A760 I761 L763 D807 H808 | V736-Y779 HydrophobicContact CG1-CD1 4.25Å; V736-Y779 HydrophobicContact CG1-CG 4.19Å; Y737-Y779 CarbonylContact O-C 3.57Å; Y737-Y779 WeakPolarHBondContact O-CA 3.18Å; L738-Y779 HydrophobicContact CB-CD1 4.48Å; L738-Y779 HydrophobicContact CB-CE1 4.41Å; L738-Y779 HydrophobicContact CD1-CD1 4.19Å; L738-Y779 HydrophobicContact CD1-CE1 3.98Å; A760-Y779 CarbonylContact C-O 3.51Å; A760-Y779 WeakPolarHBondContact CA-O 3.4Å; A760-Y779 WeakPolarHBondContact CB-O 3.49Å; I761-Y779 PolarHBondContact N-O 3.19Å; I761-Y779 PolarHBondContact O-N 3.25Å; L763-Y779 HydrophobicContact CD1-CD1 3.83Å; L763-Y779 HydrophobicContact CD1-CD2 3.92Å; L763-Y779 HydrophobicContact CD1-CE1 3.57Å; L763-Y779 HydrophobicContact CD1-CE2 3.67Å; L763-Y779 HydrophobicContact CD1-CG 3.96Å; L763-Y779 VanDerWaalsContact CD1-CZ 3.47Å; L763-Y779 HydrophobicContact CD2-CD2 3.58Å; L763-Y779 HydrophobicContact CD2-CE2 3.5Å; L763-Y779 HydrophobicContact CD2-CG 4.3Å; L763-Y779 HydrophobicContact CG-CD2 4.15Å; L763-Y779 HydrophobicContact CG-CE2 4.16Å; L763-Y779 HydrophobicContact CG-CG 4.41Å; Y779-D807 HydrophobicContact CE1-CB 4.41Å; Y779-D807 VanDerWaalsContact CE1-OD2 3.29Å; Y779-D807 WeakPolarHBondContact CE1-OD2 3.22Å; Y779-H808 AromaticContact CD1-CE1 3.88Å; Y779-H808 AromaticContact CD2-CE1 3.99Å; Y779-H808 AromaticContact CE1-CE1 3.9Å; Y779-H808 AromaticContact CG-CE1 3.97Å; Y779-H808 AromaticContact CZ-CE1 3.99Å |
| 780 | M | 95.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 125 | 178.3 | -176.7 | 173.3 | 62.5 | 0 | 0 | 109.9 | Y737 V739 K758 A760 V782 E784 S785 F788 | Y737-M780 PolarHBondContact N-O 3.09Å; Y737-M780 PolarHBondContact O-N 2.87Å; V739-M780 HydrophobicContact CG2-CB 3.43Å; V739-M780 VanDerWaalsContact CG2-CB 3.43Å; V739-M780 HydrophobicContact CG2-CE 3.64Å; V739-M780 HydrophobicContact CG2-CG 4.44Å; V739-M780 HydrophobicContact CG2-SD 4.38Å; K758-M780 HydrophobicContact CB-CG 4.39Å; K758-M780 HydrophobicContact CB-SD 3.83Å; K758-M780 HydrophobicContact CG-SD 4.41Å; A760-M780 HydrophobicContact CB-CB 3.91Å; A760-M780 HydrophobicContact CB-CG 4.15Å; M780-V782 PolarHBondContact O-N 3.41Å; M780-E784 HydrophobicContact CG-CB 4.33Å; M780-S785 VanDerWaalsContact CE-CB 3.41Å; M780-F788 HydrophobicContact CE-CB 4.24Å; M780-F788 HydrophobicContact CE-CD1 3.62Å; M780-F788 HydrophobicContact CE-CD2 4.41Å; M780-F788 HydrophobicContact CE-CE1 4.01Å; M780-F788 HydrophobicContact CE-CG 3.84Å; M780-F788 HydrophobicContact SD-CD1 4.27Å; M780-F788 HydrophobicContact SD-CD2 4.01Å; M780-F788 HydrophobicContact SD-CE1 4.47Å; M780-F788 HydrophobicContact SD-CE2 4.23Å; M780-F788 HydrophobicContact SD-CG 4.02Å; M780-F788 HydrophobicContact SD-CZ 4.47Å |
| 781 | P | 94.7 | Very high | 87.1 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 133.8 | 172.3 | -23.1 | 33.1 | 0 | 0 | 0 | 110.8 | R759 N783 E784 S785 | R759-P781 HydrophobicContact CB-CG 4.46Å; P781-N783 PolarHBondContact O-N 3.31Å; P781-N783 VanDerWaalsContact O-N 3.11Å; P781-E784 HydrophobicContact CB-CG 4.07Å; P781-E784 HydrophobicContact CG-CG 4.31Å; P781-E784 WeakPolarHBondContact O-CB 3.28Å; P781-E784 PolarHBondContact O-N 2.93Å; P781-S785 PolarHBondContact O-N 3.41Å |
| 782 | V | 92.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -57.6 | -33.4 | -175.8 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | V496 V497 V569 P735 Y737 M780 E784 S785 | V496-V782 HydrophobicContact CG2-CG1 4.04Å; V496-V782 HydrophobicContact CG2-CG2 4.24Å; V497-V782 HydrophobicContact CG2-CG1 3.95Å; V569-V782 HydrophobicContact CG1-CB 4.05Å; V569-V782 HydrophobicContact CG1-CG1 3.69Å; P735-V782 HydrophobicContact CB-CB 4.42Å; P735-V782 HydrophobicContact CB-CG2 3.81Å; P735-V782 HydrophobicContact CG-CB 3.99Å; P735-V782 HydrophobicContact CG-CG2 3.94Å; P735-V782 VanDerWaalsContact O-CG2 3.3Å; P735-V782 WeakPolarHBondContact O-CG2 3.47Å; P735-V782 PolarHBondContact O-N 3.12Å; Y737-V782 HydrophobicContact CD1-CG2 3.75Å; Y737-V782 HydrophobicContact CD2-CB 4.27Å; Y737-V782 HydrophobicContact CD2-CG1 4.4Å; Y737-V782 HydrophobicContact CD2-CG2 3.77Å; Y737-V782 HydrophobicContact CE1-CG2 3.72Å; Y737-V782 HydrophobicContact CE2-CB 4.04Å; Y737-V782 HydrophobicContact CE2-CG1 3.67Å; Y737-V782 HydrophobicContact CE2-CG2 3.73Å; Y737-V782 HydrophobicContact CG-CG2 3.79Å; M780-V782 PolarHBondContact O-N 3.41Å; V782-E784 PolarHBondContact O-N 3.22Å; V782-S785 VanDerWaalsContact O-CB 3.26Å; V782-S785 WeakPolarHBondContact O-CB 3.5Å; V782-S785 PolarHBondContact O-N 3.47Å; V782-S785 PolarHBondContact O-OG 3.31Å |
| 783 | N | 91.2 | Very high | 89.2 | Confident | 56 Ų | 56 | 32.2 Ų | 32.2 | 30% | 0.299 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -64.6 | -26.6 | 179.2 | -167.1 | 58.3 | 0 | 0 | 0 | 112.9 | V569 P781 F786 | V569-N783 HydrophobicContact CG1-CB 3.81Å; V569-N783 HydrophobicContact CG2-CB 3.95Å; P781-N783 PolarHBondContact O-N 3.31Å; P781-N783 VanDerWaalsContact O-N 3.11Å; N783-F786 WeakPolarHBondContact O-CD2 3.4Å |
| 784 | E | 91.7 | Very high | 89.8 | Confident | 40 Ų | 40 | 34.3 Ų | 34.3 | 19% | 0.187 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -85.1 | -14.7 | 177.1 | -55.3 | -65.9 | 161.3 | 0 | 0 | 111.7 | K758 R759 M780 P781 V782 F786 | K758-E784 HydrophobicContact CB-CB 4.05Å; K758-E784 HydrophobicContact CD-CB 4.48Å; K758-E784 WeakPolarHBondContact CD-O 3.21Å; K758-E784 VanDerWaalsContact CE-O 3.27Å; K758-E784 WeakPolarHBondContact CE-O 3.35Å; K758-E784 PolarHBondContact NZ-O 3.4Å; K758-E784 WeakPolarHBondContact O-CB 3.4Å; K758-E784 WeakPolarHBondContact O-CG 3.15Å; R759-E784 HydrophobicContact CB-CG 4.3Å; R759-E784 VanDerWaalsContact CD-OE1 3.29Å; R759-E784 WeakPolarHBondContact CD-OE1 3.18Å; R759-E784 IonicContact CZ-OE1 3.45Å; R759-E784 IonicContact NE-OE1 2.8Å; R759-E784 IonicContact NH1-OE1 3.11Å; R759-E784 PolarHBondContact NH1-OE1 3.01Å; M780-E784 HydrophobicContact CG-CB 4.33Å; P781-E784 HydrophobicContact CB-CG 4.07Å; P781-E784 HydrophobicContact CG-CG 4.31Å; P781-E784 WeakPolarHBondContact O-CB 3.28Å; P781-E784 PolarHBondContact O-N 2.93Å; V782-E784 PolarHBondContact O-N 3.22Å; E784-F786 VanDerWaalsContact C-N 3.27Å; E784-F786 PolarHBondContact O-N 3.06Å |
| 785 | S | 90.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 7% | 0.07 | 21% | 0.206 | C | C | . | . | trans | -70.4 | -18.4 | -177.5 | 77.5 | 0 | 0 | 0 | 0 | 114.3 | Y737 M780 P781 V782 G787 F788 | Y737-S785 WeakPolarHBondContact CE2-OG 3.48Å; M780-S785 VanDerWaalsContact CE-CB 3.41Å; P781-S785 PolarHBondContact O-N 3.41Å; V782-S785 VanDerWaalsContact O-CB 3.26Å; V782-S785 WeakPolarHBondContact O-CB 3.5Å; V782-S785 PolarHBondContact O-N 3.47Å; V782-S785 PolarHBondContact O-OG 3.31Å; S785-G787 PolarHBondContact O-N 2.98Å; S785-F788 WeakPolarHBondContact O-CB 3.33Å; S785-F788 PolarHBondContact O-N 2.89Å | ||
| 786 | F | 88.8 | Confident | 90.3 | Very high | 38 Ų | 38 | 36.4 Ų | 36.4 | 17% | 0.167 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 127.6 | -178.9 | -59.5 | -44.5 | 0 | 0 | 0 | 111.7 | V497 E543 P567 V569 K758 N783 E784 F788 | V497-F786 HydrophobicContact CG1-CE1 3.61Å; V497-F786 HydrophobicContact CG1-CZ 3.84Å; V497-F786 HydrophobicContact CG2-CE1 4.22Å; E543-F786 HydrophobicContact CB-CD1 4.44Å; E543-F786 WeakPolarHBondContact OE2-CA 3.27Å; P567-F786 HydrophobicContact CB-CD1 4.22Å; P567-F786 HydrophobicContact CB-CE1 3.66Å; P567-F786 HydrophobicContact CB-CE2 4.33Å; P567-F786 HydrophobicContact CB-CZ 3.72Å; P567-F786 HydrophobicContact CG-CD1 3.88Å; P567-F786 HydrophobicContact CG-CD2 4.32Å; P567-F786 HydrophobicContact CG-CE1 3.84Å; P567-F786 HydrophobicContact CG-CE2 4.25Å; P567-F786 HydrophobicContact CG-CG 4.15Å; P567-F786 HydrophobicContact CG-CZ 4.02Å; P567-F786 WeakPolarHBondContact O-CE2 3.4Å; V569-F786 HydrophobicContact CG1-CE2 4.19Å; V569-F786 HydrophobicContact CG1-CZ 3.93Å; K758-F786 PolarHBondContact NZ-O 3.16Å; N783-F786 WeakPolarHBondContact O-CD2 3.4Å; E784-F786 VanDerWaalsContact C-N 3.27Å; E784-F786 PolarHBondContact O-N 3.06Å; F786-F788 PolarHBondContact O-N 3.37Å |
| 787 | G | 87.6 | Confident | 89.9 | Confident | 23 Ų | 23 | 39.8 Ų | 39.8 | 24% | 0.237 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 4.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E543 S785 T789 T790 D791 | E543-G787 PolarHBondContact OE2-N 3.48Å; S785-G787 PolarHBondContact O-N 2.98Å; G787-T789 VanDerWaalsContact C-N 3.35Å; G787-T789 PolarHBondContact O-N 2.78Å; G787-T790 PolarHBondContact O-N 3.02Å; G787-D791 PolarHBondContact O-N 3.43Å |
| 788 | F | 89.5 | Confident | 89.3 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | -177 | 174.9 | -117.9 | 0 | 0 | 0 | 112.8 | V739 I741 T754 L755 K758 M780 S785 F786 T790 D791 L792 P802 | V739-F788 HydrophobicContact CG1-CE1 3.64Å; V739-F788 HydrophobicContact CG1-CZ 4.1Å; I741-F788 HydrophobicContact CD1-CE1 4.34Å; I741-F788 HydrophobicContact CD1-CZ 3.73Å; T754-F788 HydrophobicContact CG2-CD2 3.79Å; T754-F788 HydrophobicContact CG2-CE2 3.59Å; L755-F788 HydrophobicContact CD2-CE2 4.3Å; L755-F788 HydrophobicContact CD2-CZ 3.98Å; K758-F788 HydrophobicContact CG-CD2 4.04Å; M780-F788 HydrophobicContact CE-CB 4.24Å; M780-F788 HydrophobicContact CE-CD1 3.62Å; M780-F788 HydrophobicContact CE-CD2 4.41Å; M780-F788 HydrophobicContact CE-CE1 4.01Å; M780-F788 HydrophobicContact CE-CG 3.84Å; M780-F788 HydrophobicContact SD-CD1 4.27Å; M780-F788 HydrophobicContact SD-CD2 4.01Å; M780-F788 HydrophobicContact SD-CE1 4.47Å; M780-F788 HydrophobicContact SD-CE2 4.23Å; M780-F788 HydrophobicContact SD-CG 4.02Å; M780-F788 HydrophobicContact SD-CZ 4.47Å; S785-F788 WeakPolarHBondContact O-CB 3.33Å; S785-F788 PolarHBondContact O-N 2.89Å; F786-F788 PolarHBondContact O-N 3.37Å; F788-T790 VanDerWaalsContact C-N 3.3Å; F788-T790 PolarHBondContact O-N 3.11Å; F788-D791 PolarHBondContact O-N 3.26Å; F788-L792 HydrophobicContact CE1-CD2 4.4Å; F788-L792 HydrophobicContact CZ-CD2 4.28Å; F788-L792 VanDerWaalsContact O-CB 3.28Å; F788-L792 WeakPolarHBondContact O-CB 3.38Å; F788-L792 PolarHBondContact O-N 3.13Å; F788-P802 HydrophobicContact CD1-CB 4Å; F788-P802 HydrophobicContact CD1-CG 4.15Å; F788-P802 HydrophobicContact CE1-CB 3.47Å; F788-P802 VanDerWaalsContact CE1-CB 3.47Å; F788-P802 HydrophobicContact CE1-CG 4.03Å; F788-P802 HydrophobicContact CZ-CB 4.44Å |
| 789 | T | 83.7 | Confident | 88.3 | Confident | 54 Ų | 54 | 43.4 Ų | 43.4 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 178.7 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | G787 R793 P802 | G787-T789 VanDerWaalsContact C-N 3.35Å; G787-T789 PolarHBondContact O-N 2.78Å; T789-R793 WeakPolarHBondContact O-CB 3.35Å; T789-R793 VanDerWaalsContact O-CG 3.31Å; T789-R793 WeakPolarHBondContact O-CG 3.37Å; T789-R793 PolarHBondContact O-N 3.25Å; T789-P802 HydrophobicContact CG2-CG 4.14Å |
| 790 | T | 86.1 | Confident | 87.6 | Confident | 101 Ų | 101 | 40 Ų | 40 | 62% | 0.62 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -69.2 | -46.1 | 178.1 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | G787 F788 L792 R793 A794 | G787-T790 PolarHBondContact O-N 3.02Å; F788-T790 VanDerWaalsContact C-N 3.3Å; F788-T790 PolarHBondContact O-N 3.11Å; T790-L792 VanDerWaalsContact C-N 3.34Å; T790-L792 PolarHBondContact O-N 2.95Å; T790-R793 PolarHBondContact O-N 2.94Å; T790-A794 WeakPolarHBondContact O-CB 3.45Å; T790-A794 PolarHBondContact O-N 3.49Å |
| 791 | D | 91.3 | Very high | 86.6 | Confident | 48 Ų | 48 | 44.3 Ų | 44.3 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 175.9 | -78.8 | -9 | 0 | 0 | 0 | 111.9 | T754 R757 K758 G787 F788 A794 A795 | T754-D791 HydrophobicContact CG2-CB 3.87Å; R757-D791 IonicContact CZ-OD2 2.82Å; R757-D791 IonicContact NE-OD2 3.85Å; R757-D791 IonicContact NH2-OD1 2.84Å; R757-D791 PolarHBondContact NH2-OD1 3.47Å; R757-D791 IonicContact NH2-OD2 2.89Å; R757-D791 PolarHBondContact NH2-OD2 3.09Å; K758-D791 WeakPolarHBondContact CE-OD2 3.47Å; G787-D791 PolarHBondContact O-N 3.43Å; F788-D791 PolarHBondContact O-N 3.26Å; D791-A794 PolarHBondContact O-N 3.32Å; D791-A795 WeakPolarHBondContact O-CB 3.45Å; D791-A795 PolarHBondContact O-N 2.85Å |
| 792 | L | 90.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -44.1 | -179.5 | -172.7 | 68.9 | 0 | 0 | 0 | 111.3 | I741 I751 T754 F788 T790 A794 A795 T796 A800 P802 | I741-L792 HydrophobicContact CD1-CD1 4.39Å; I741-L792 HydrophobicContact CD1-CD2 4.21Å; I741-L792 HydrophobicContact CG1-CD2 4.28Å; I741-L792 HydrophobicContact CG2-CD2 3.82Å; I751-L792 HydrophobicContact CB-CD1 4.47Å; I751-L792 HydrophobicContact CG1-CD1 4.15Å; T754-L792 HydrophobicContact CG2-CB 4.35Å; T754-L792 HydrophobicContact CG2-CD1 4.38Å; F788-L792 HydrophobicContact CE1-CD2 4.4Å; F788-L792 HydrophobicContact CZ-CD2 4.28Å; F788-L792 VanDerWaalsContact O-CB 3.28Å; F788-L792 WeakPolarHBondContact O-CB 3.38Å; F788-L792 PolarHBondContact O-N 3.13Å; T790-L792 VanDerWaalsContact C-N 3.34Å; T790-L792 PolarHBondContact O-N 2.95Å; L792-A794 VanDerWaalsContact C-N 3.32Å; L792-A794 PolarHBondContact O-N 3.44Å; L792-A795 PolarHBondContact O-N 2.83Å; L792-T796 HydrophobicContact CD1-CG2 4.14Å; L792-T796 HydrophobicContact CG-CG2 4.46Å; L792-T796 WeakPolarHBondContact O-CB 3.27Å; L792-T796 WeakPolarHBondContact O-CG2 3.48Å; L792-T796 PolarHBondContact O-N 2.75Å; L792-T796 PolarHBondContact O-OG1 3.29Å; L792-A800 HydrophobicContact CD2-CB 4.19Å; L792-A800 HydrophobicContact CG-CB 4.19Å; L792-P802 HydrophobicContact CD2-CB 3.75Å; L792-P802 HydrophobicContact CD2-CG 3.71Å |
| 793 | R | 84.9 | Confident | 85.6 | Confident | 124 Ų | 124 | 45.3 Ų | 45.3 | 47% | 0.468 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 174.7 | -79.5 | 178.9 | 176.7 | 162.8 | -0 | 111.1 | T789 T790 T796 G797 G798 | T789-R793 WeakPolarHBondContact O-CB 3.35Å; T789-R793 VanDerWaalsContact O-CG 3.31Å; T789-R793 WeakPolarHBondContact O-CG 3.37Å; T789-R793 PolarHBondContact O-N 3.25Å; T790-R793 PolarHBondContact O-N 2.94Å; R793-T796 PolarHBondContact O-N 3.28Å; R793-G797 CarbonylContact O-C 3.24Å; R793-G797 WeakPolarHBondContact O-CA 3.42Å; R793-G797 PolarHBondContact O-N 3.12Å; R793-G798 PolarHBondContact O-N 3.25Å |
| 794 | A | 88.8 | Confident | 85.3 | Confident | 83 Ų | 83 | 43.8 Ų | 43.8 | 69% | 0.686 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | T790 D791 L792 T796 | T790-A794 WeakPolarHBondContact O-CB 3.45Å; T790-A794 PolarHBondContact O-N 3.49Å; D791-A794 PolarHBondContact O-N 3.32Å; L792-A794 VanDerWaalsContact C-N 3.32Å; L792-A794 PolarHBondContact O-N 3.44Å; A794-T796 VanDerWaalsContact C-N 3.29Å; A794-T796 PolarHBondContact O-N 2.89Å |
| 795 | A | 90.3 | Very high | 84.9 | Confident | 48 Ų | 48 | 43 Ų | 43 | 40% | 0.397 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.5 | -21.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | T754 D791 L792 | T754-A795 WeakPolarHBondContact OG1-CB 3.45Å; D791-A795 WeakPolarHBondContact O-CB 3.45Å; D791-A795 PolarHBondContact O-N 2.85Å; L792-A795 PolarHBondContact O-N 2.83Å |
| 796 | T | 87 | Confident | 84.6 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -114.1 | 5.1 | -175.9 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | A747 I751 L792 R793 A794 G798 Q799 A800 | A747-T796 HydrophobicContact CB-CG2 3.99Å; I751-T796 HydrophobicContact CG1-CG2 3.94Å; L792-T796 HydrophobicContact CD1-CG2 4.14Å; L792-T796 HydrophobicContact CG-CG2 4.46Å; L792-T796 WeakPolarHBondContact O-CB 3.27Å; L792-T796 WeakPolarHBondContact O-CG2 3.48Å; L792-T796 PolarHBondContact O-N 2.75Å; L792-T796 PolarHBondContact O-OG1 3.29Å; R793-T796 PolarHBondContact O-N 3.28Å; A794-T796 VanDerWaalsContact C-N 3.29Å; A794-T796 PolarHBondContact O-N 2.89Å; T796-G798 PolarHBondContact O-N 2.85Å; T796-Q799 WeakPolarHBondContact O-CB 3.48Å; T796-Q799 WeakPolarHBondContact O-CG 3.37Å; T796-Q799 PolarHBondContact O-N 2.93Å; T796-Q799 VanDerWaalsContact O-N 3.17Å; T796-A800 HydrophobicContact CG2-CB 3.68Å; T796-A800 PolarHBondContact OG1-N 3.31Å |
| 797 | G | 82.9 | Confident | 84.6 | Confident | 72 Ų | 72 | 45.4 Ų | 45.4 | 74% | 0.742 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 27.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R793 Q799 | R793-G797 CarbonylContact O-C 3.24Å; R793-G797 WeakPolarHBondContact O-CA 3.42Å; R793-G797 PolarHBondContact O-N 3.12Å; G797-Q799 VanDerWaalsContact C-N 3.33Å |
| 798 | G | 77.5 | Confident | 84.7 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 32% | 0.32 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 10.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | R793 T796 | R793-G798 PolarHBondContact O-N 3.25Å; T796-G798 PolarHBondContact O-N 2.85Å |
| 799 | Q | 75.7 | Confident | 84.8 | Confident | 98 Ų | 98 | 47 Ų | 47 | 46% | 0.458 | 28% | 0.282 | S | S | . | . | trans | -85.2 | -11.1 | -178 | -61.8 | -174.5 | -26.6 | 0 | 0 | 114.2 | P744 A747 T796 G797 | P744-Q799 VanDerWaalsContact CD-O 3.32Å; P744-Q799 WeakPolarHBondContact CD-O 3.27Å; P744-Q799 HydrophobicContact CG-CB 3.82Å; P744-Q799 HydrophobicContact CG-CG 4.42Å; P744-Q799 VanDerWaalsContact CG-OE1 3.32Å; A747-Q799 HydrophobicContact CB-CB 4.34Å; T796-Q799 WeakPolarHBondContact O-CB 3.48Å; T796-Q799 WeakPolarHBondContact O-CG 3.37Å; T796-Q799 PolarHBondContact O-N 2.93Å; T796-Q799 VanDerWaalsContact O-N 3.17Å; G797-Q799 VanDerWaalsContact C-N 3.33Å | ||
| 800 | A | 80.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -117.7 | 140.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I741 Q742 I751 L792 T796 | I741-A800 HydrophobicContact CG2-CB 3.89Å; Q742-A800 VanDerWaalsContact O-CA 3.29Å; Q742-A800 WeakPolarHBondContact O-CA 3.38Å; I751-A800 HydrophobicContact CD1-CB 4.07Å; I751-A800 HydrophobicContact CG1-CB 4.07Å; L792-A800 HydrophobicContact CD2-CB 4.19Å; L792-A800 HydrophobicContact CG-CB 4.19Å; T796-A800 HydrophobicContact CG2-CB 3.68Å; T796-A800 PolarHBondContact OG1-N 3.31Å | ||
| 801 | F | 75.1 | Confident | 85.8 | Confident | 91 Ų | 91 | 46.6 Ų | 46.6 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 123.5 | 179.7 | -64.9 | -91.1 | 0 | 0 | 0 | 109.6 | Q742 | Q742-F801 PolarHBondContact N-O 2.8Å; Q742-F801 PolarHBondContact O-N 2.94Å |
| 802 | P | 85.4 | Confident | 86 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 148.9 | 177.8 | 33.6 | -25.6 | 0 | 0 | 0 | 111.4 | V739 E740 I741 F788 T789 L792 | V739-P802 HydrophobicContact CG1-CB 4.38Å; E740-P802 CarbonylContact O-C 3.54Å; E740-P802 WeakPolarHBondContact O-CA 3.44Å; I741-P802 HydrophobicContact CG1-CB 4.24Å; F788-P802 HydrophobicContact CD1-CB 4Å; F788-P802 HydrophobicContact CD1-CG 4.15Å; F788-P802 HydrophobicContact CE1-CB 3.47Å; F788-P802 VanDerWaalsContact CE1-CB 3.47Å; F788-P802 HydrophobicContact CE1-CG 4.03Å; F788-P802 HydrophobicContact CZ-CB 4.44Å; T789-P802 HydrophobicContact CG2-CG 4.14Å; L792-P802 HydrophobicContact CD2-CB 3.75Å; L792-P802 HydrophobicContact CD2-CG 3.71Å |
| 803 | Q | 80.8 | Confident | 86.1 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.3 | 163.6 | -69.5 | -176.2 | -25.8 | 0 | 0 | 109.2 | H27 Q147 V739 E740 | H27-Q803 PolarHBondContact CE1-NE2 3.11Å; H27-Q803 PolarHBondContact CE1-OE1 3.42Å; H27-Q803 PolarHBondContact ND1-NE2 3.45Å; H27-Q803 VanDerWaalsContact ND1-NE2 3.13Å; H27-Q803 PolarHBondContact ND1-OE1 3.04Å; H27-Q803 PolarHBondContact NE2-NE2 3.32Å; Q147-Q803 VanDerWaalsContact CG-CD 3.48Å; V739-Q803 CarbonylContact C-O 3.59Å; V739-Q803 VanDerWaalsContact CA-O 3.26Å; V739-Q803 WeakPolarHBondContact CA-O 3.24Å; E740-Q803 PolarHBondContact N-O 2.67Å; E740-Q803 PolarHBondContact O-N 3.45Å |
| 804 | C | 84.5 | Confident | 86.5 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 114.8 | -177.2 | -62.3 | 0 | 0 | 0 | 0 | 109.1 | V118 Y737 | V118-C804 WeakPolarHBondContact CG1-O 3.47Å; Y737-C804 HydrophobicContact CD1-CB 4.21Å; Y737-C804 HydrophobicContact CD2-CB 3.59Å; Y737-C804 HydrophobicContact CE2-CB 4Å; Y737-C804 HydrophobicContact CG-CB 3.71Å |
| 805 | V | 82.4 | Confident | 86.7 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.2 | 176 | -166.4 | 0 | 0 | 0 | 0 | 108.2 | V118 Y737 L738 D807 | V118-V805 HydrophobicContact CB-CG2 4.32Å; V118-V805 HydrophobicContact CG1-CG2 4.37Å; V118-V805 HydrophobicContact CG2-CB 4.27Å; V118-V805 HydrophobicContact CG2-CG1 3.97Å; V118-V805 HydrophobicContact CG2-CG2 3.74Å; Y737-V805 CarbonylContact C-O 3.59Å; Y737-V805 WeakPolarHBondContact CA-O 3.36Å; Y737-V805 VanDerWaalsContact CD1-C 3.47Å; L738-V805 PolarHBondContact N-O 3.05Å; L738-V805 PolarHBondContact O-N 2.75Å; V805-D807 PolarHBondContact O-N 2.58Å |
| 806 | F | 85 | Confident | 86.9 | Confident | 37 Ų | 37 | 43.5 Ų | 43.5 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 124.5 | 170.5 | 173.2 | -98.7 | 0 | 0 | 0 | 109.1 | V496 P735 Y737 H808 W809 | V496-F806 HydrophobicContact CG1-CD2 3.89Å; V496-F806 HydrophobicContact CG1-CE2 4.38Å; V496-F806 HydrophobicContact CG1-CG 4.29Å; P735-F806 HydrophobicContact CB-CD2 3.98Å; P735-F806 HydrophobicContact CB-CE2 3.69Å; Y737-F806 HydrophobicContact CD1-CB 4.35Å; Y737-F806 HydrophobicContact CE1-CB 4.31Å; F806-H808 WeakPolarHBondContact CE2-O 3.31Å; F806-W809 HydrophobicContact CE2-CD2 4.34Å; F806-W809 HydrophobicContact CE2-CZ2 4.39Å; F806-W809 AromaticContact CZ-CD1 3.6Å; F806-W809 HydrophobicContact CZ-CD2 4.2Å; F806-W809 AromaticContact CZ-CE2 3.74Å; F806-W809 HydrophobicContact CZ-CG 4.11Å; F806-W809 HydrophobicContact CZ-CZ2 4.32Å; F806-W809 AromaticContact CZ-NE1 3.38Å |
| 807 | D | 87.1 | Confident | 87.2 | Confident | 60 Ų | 60 | 47 Ų | 47 | 32% | 0.321 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -54.6 | -175 | -173.6 | 77.8 | 0 | 0 | 0 | 111.5 | V736 L738 Y779 V805 | V736-D807 PolarHBondContact O-N 3.45Å; L738-D807 HydrophobicContact CB-CB 3.79Å; Y779-D807 HydrophobicContact CE1-CB 4.41Å; Y779-D807 VanDerWaalsContact CE1-OD2 3.29Å; Y779-D807 WeakPolarHBondContact CE1-OD2 3.22Å; V805-D807 PolarHBondContact O-N 2.58Å |
| 808 | H | 90.7 | Very high | 87.7 | Confident | 44 Ų | 44 | 47 Ų | 47 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 173.1 | -178.7 | 64.4 | -80.5 | 0 | 0 | 0 | 112.7 | V736 Y779 F806 | V736-H808 PolarHBondContact N-O 3.44Å; Y779-H808 AromaticContact CD1-CE1 3.88Å; Y779-H808 AromaticContact CD2-CE1 3.99Å; Y779-H808 AromaticContact CE1-CE1 3.9Å; Y779-H808 AromaticContact CG-CE1 3.97Å; Y779-H808 AromaticContact CZ-CE1 3.99Å; F806-H808 WeakPolarHBondContact CE2-O 3.31Å |
| 809 | W | 92.3 | Very high | 88.2 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 6% | 0.057 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 137.3 | 168.2 | -65.1 | 94.5 | 0 | 0 | 0 | 109.3 | S570 R572 R690 L733 P735 F806 | S570-W809 WeakPolarHBondContact O-CH2 3.29Å; S570-W809 WeakPolarHBondContact O-CZ3 3.47Å; R572-W809 HydrophobicContact CB-CE3 4.32Å; R572-W809 HydrophobicContact CB-CZ3 4.32Å; R572-W809 HydrophobicContact CG-CD2 4.01Å; R572-W809 HydrophobicContact CG-CE3 3.81Å; R572-W809 HydrophobicContact CG-CH2 3.59Å; R572-W809 HydrophobicContact CG-CZ2 3.78Å; R572-W809 HydrophobicContact CG-CZ3 3.58Å; R690-W809 VanDerWaalsContact CZ-CD1 3.44Å; L733-W809 HydrophobicContact CB-CB 4.16Å; L733-W809 HydrophobicContact CB-CE3 4Å; L733-W809 HydrophobicContact CD1-CB 4.06Å; P735-W809 HydrophobicContact CB-CE3 3.99Å; P735-W809 HydrophobicContact CB-CH2 3.93Å; P735-W809 HydrophobicContact CB-CZ3 3.63Å; P735-W809 HydrophobicContact CG-CH2 4.22Å; P735-W809 HydrophobicContact CG-CZ3 3.83Å; F806-W809 HydrophobicContact CE2-CD2 4.34Å; F806-W809 HydrophobicContact CE2-CZ2 4.39Å; F806-W809 AromaticContact CZ-CD1 3.6Å; F806-W809 HydrophobicContact CZ-CD2 4.2Å; F806-W809 AromaticContact CZ-CE2 3.74Å; F806-W809 HydrophobicContact CZ-CG 4.11Å; F806-W809 HydrophobicContact CZ-CZ2 4.32Å; F806-W809 AromaticContact CZ-NE1 3.38Å |
| 810 | Q | 94.5 | Very high | 89 | Confident | 54 Ų | 54 | 53.6 Ų | 53.6 | 25% | 0.252 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 154.5 | 174.4 | 77.4 | -178.1 | 9.7 | 0 | 0 | 111 | L733 E734 V736 Y812 | L733-Q810 CarbonylContact C-O 3.48Å; L733-Q810 WeakPolarHBondContact CA-O 3.32Å; E734-Q810 HydrophobicContact CG-CG 3.69Å; E734-Q810 PolarHBondContact N-O 3.05Å; E734-Q810 PolarHBondContact O-N 3.43Å; E734-Q810 PolarHBondContact OE1-NE2 3.38Å; V736-Q810 HydrophobicContact CG2-CB 3.98Å; V736-Q810 HydrophobicContact CG2-CG 3.41Å; V736-Q810 VanDerWaalsContact CG2-CG 3.41Å; Q810-Y812 PolarHBondContact O-N 3.06Å |
| 811 | I | 95.3 | Very high | 89.7 | Confident | 92 Ų | 92 | 54.3 Ų | 54.3 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 123.7 | 174 | -63.1 | 174.1 | 0 | 0 | 0 | 109.1 | T576 L733 P813 | T576-I811 HydrophobicContact CG2-CD1 3.97Å; L733-I811 HydrophobicContact CD2-CG1 4.02Å; I811-P813 WeakPolarHBondContact O-CD 3.46Å |
| 812 | Y | 94.7 | Very high | 90.5 | Very high | 17 Ų | 17 | 55.4 Ų | 55.4 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | trans | -76 | 112.1 | 171.3 | -170.2 | -161.3 | 0 | 0 | 0 | 108.3 | Y571 L732 E734 Q810 G814 K822 P823 A826 | Y571-Y812 HydrophobicContact CD1-CD1 4.41Å; Y571-Y812 AromaticContact CE1-CD1 3.74Å; Y571-Y812 HydrophobicContact CE1-CD1 3.74Å; Y571-Y812 AromaticContact CE1-CE1 4Å; Y571-Y812 HydrophobicContact CE1-CE1 4Å; Y571-Y812 HydrophobicContact CE1-CG 4.44Å; L732-Y812 WeakPolarHBondContact O-CB 3.49Å; L732-Y812 PolarHBondContact O-N 3.2Å; E734-Y812 HydrophobicContact CB-CG 4.39Å; E734-Y812 HydrophobicContact CG-CD2 4.47Å; E734-Y812 WeakPolarHBondContact OE2-CD2 3.18Å; Q810-Y812 PolarHBondContact O-N 3.06Å; Y812-G814 PolarHBondContact O-N 3.16Å; Y812-K822 HydrophobicContact CE1-CB 4.32Å; Y812-K822 HydrophobicContact CE2-CB 4.14Å; Y812-K822 HydrophobicContact CE2-CD 4.41Å; Y812-K822 WeakPolarHBondContact OH-CB 3.33Å; Y812-P823 HydrophobicContact CD1-CB 4.09Å; Y812-P823 HydrophobicContact CD1-CG 3.71Å; Y812-P823 HydrophobicContact CE1-CG 4.24Å; Y812-P823 HydrophobicContact CG-CG 3.87Å; Y812-P823 VanDerWaalsContact O-CG 3.28Å; Y812-P823 WeakPolarHBondContact O-CG 3.04Å; Y812-A826 HydrophobicContact CE1-CB 4.12Å | ||
| 813 | P | 92.2 | Very high | 90.9 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -64.8 | 127.1 | -167 | -24.9 | 36.2 | 0 | 0 | 0 | 113 | I811 P823 | I811-P813 WeakPolarHBondContact O-CD 3.46Å; P813-P823 WeakPolarHBondContact O-CD 3.47Å; P813-P823 WeakPolarHBondContact O-CG 3.26Å |
| 814 | G | 93.3 | Very high | 91.6 | Very high | 44 Ų | 44 | 54.4 Ų | 54.4 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 130.6 | 168.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y812 | Y812-G814 PolarHBondContact O-N 3.16Š|
| 815 | D | 94 | Very high | 92 | Very high | 83 Ų | 83 | 58 Ų | 58 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | trans | -90 | 116.3 | 176.6 | -176.5 | -8 | 0 | 0 | 0 | 110.1 | L817 D818 S821 | D815-L817 PolarHBondContact O-N 3.37Å; D815-L817 VanDerWaalsContact O-N 3.15Å; D815-L817 VanDerWaalsContact OD1-CB 3.31Å; D815-L817 WeakPolarHBondContact OD1-CB 3.49Å; D815-L817 PolarHBondContact OD1-N 2.94Å; D815-D818 HydrophobicContact CB-CB 4.25Å; D815-D818 PolarHBondContact O-N 3.47Å; D815-D818 VanDerWaalsContact O-N 3.11Å; D815-S821 WeakPolarHBondContact O-CB 3.33Å; D815-S821 PolarHBondContact O-OG 2.82Å | ||
| 816 | P | 94.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.032 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.5 | 178.3 | 32.1 | -39.9 | 0 | 0 | 0 | 114.2 | L684 P730 L732 P823 V827 | L684-P816 HydrophobicContact CD1-CB 4.05Å; L684-P816 HydrophobicContact CD1-CG 3.92Å; P730-P816 WeakPolarHBondContact O-CD 3.26Å; P730-P816 WeakPolarHBondContact O-CG 3.5Å; L732-P816 HydrophobicContact CG-CB 4.44Å; P816-P823 HydrophobicContact CB-CB 4.09Å; P816-V827 HydrophobicContact CB-CG2 3.91Å |
| 817 | L | 93.4 | Very high | 92.9 | Very high | 82 Ų | 82 | 55.7 Ų | 55.7 | 43% | 0.429 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -19.1 | 175.3 | -54.7 | -179.9 | 0 | 0 | 0 | 112.5 | L684 P730 D815 V840 | L684-L817 HydrophobicContact CD2-CD2 3.98Å; P730-L817 HydrophobicContact CG-CD1 4.26Å; P730-L817 HydrophobicContact CG-CG 4.47Å; D815-L817 PolarHBondContact O-N 3.37Å; D815-L817 VanDerWaalsContact O-N 3.15Å; D815-L817 VanDerWaalsContact OD1-CB 3.31Å; D815-L817 WeakPolarHBondContact OD1-CB 3.49Å; D815-L817 PolarHBondContact OD1-N 2.94Å; L817-V840 HydrophobicContact CD2-CB 3.99Å; L817-V840 HydrophobicContact CD2-CG1 3.9Å; L817-V840 HydrophobicContact CD2-CG2 3.99Å |
| 818 | D | 93.5 | Very high | 93.2 | Very high | 73 Ų | 73 | 55.2 Ų | 55.2 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -87.1 | 108.4 | 170.9 | 176.2 | 14.3 | 0 | 0 | 0 | 109.9 | D815 N820 S821 G824 | D815-D818 HydrophobicContact CB-CB 4.25Å; D815-D818 PolarHBondContact O-N 3.47Å; D815-D818 VanDerWaalsContact O-N 3.11Å; D818-N820 PolarHBondContact O-N 2.93Å; D818-N820 WeakPolarHBondContact OD1-CB 3.39Å; D818-N820 PolarHBondContact OD1-N 3.19Å; D818-N820 PolarHBondContact OD1-ND2 2.9Å; D818-S821 WeakPolarHBondContact O-CB 3.19Å; D818-S821 PolarHBondContact O-N 2.87Å; D818-S821 PolarHBondContact O-OG 3.29Å; D818-S821 VanDerWaalsContact O-OG 3.1Å; D818-G824 WeakPolarHBondContact O-CA 3.35Å |
| 819 | E | 88.1 | Confident | 93.2 | Very high | 130 Ų | 130 | 59.4 Ų | 59.4 | 61% | 0.607 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -20.6 | -179.9 | -63.7 | -173.9 | 167.2 | 0 | 0 | 113.7 | Q825 | E819-Q825 WeakPolarHBondContact O-CG 3.42Š|
| 820 | N | 91.8 | Very high | 93 | Very high | 136 Ų | 136 | 58.9 Ų | 58.9 | 73% | 0.727 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -14.9 | 177.2 | -58 | -66.2 | 0 | 0 | 0 | 113.1 | D818 Q825 | D818-N820 PolarHBondContact O-N 2.93Å; D818-N820 WeakPolarHBondContact OD1-CB 3.39Å; D818-N820 PolarHBondContact OD1-N 3.19Å; D818-N820 PolarHBondContact OD1-ND2 2.9Å; N820-Q825 PolarHBondContact O-NE2 2.61Å |
| 821 | S | 94.3 | Very high | 92.9 | Very high | 16 Ų | 16 | 57 Ų | 57 | 11% | 0.112 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -75.9 | 156.6 | 177.3 | 94.2 | 0 | 0 | 0 | 0 | 110.9 | D815 D818 P823 G824 Q825 | D815-S821 WeakPolarHBondContact O-CB 3.33Å; D815-S821 PolarHBondContact O-OG 2.82Å; D818-S821 WeakPolarHBondContact O-CB 3.19Å; D818-S821 PolarHBondContact O-N 2.87Å; D818-S821 PolarHBondContact O-OG 3.29Å; D818-S821 VanDerWaalsContact O-OG 3.1Å; S821-P823 WeakPolarHBondContact OG-CD 3.24Å; S821-G824 PolarHBondContact O-N 2.92Å; S821-G824 VanDerWaalsContact O-N 3.15Å; S821-G824 PolarHBondContact OG-N 2.9Å; S821-Q825 WeakPolarHBondContact O-CG 3.31Å; S821-Q825 PolarHBondContact O-N 3.42Å |
| 822 | K | 92.2 | Very high | 92.6 | Very high | 114 Ų | 114 | 61.2 Ų | 61.2 | 50% | 0.496 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 176.4 | -74 | -171.8 | -179.4 | -174.2 | 0 | 112.7 | Y812 Q825 A826 | Y812-K822 HydrophobicContact CE1-CB 4.32Å; Y812-K822 HydrophobicContact CE2-CB 4.14Å; Y812-K822 HydrophobicContact CE2-CD 4.41Å; Y812-K822 WeakPolarHBondContact OH-CB 3.33Å; K822-Q825 PolarHBondContact O-N 2.7Å; K822-A826 PolarHBondContact O-N 3.03Å; K822-A826 VanDerWaalsContact O-N 3.09Å |
| 823 | P | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58 | -40.9 | 168.9 | -28.9 | 35.1 | 0 | 0 | 0 | 114.3 | L732 Y812 P813 P816 S821 Q825 A826 V827 | L732-P823 HydrophobicContact CD1-CB 4.3Å; Y812-P823 HydrophobicContact CD1-CB 4.09Å; Y812-P823 HydrophobicContact CD1-CG 3.71Å; Y812-P823 HydrophobicContact CE1-CG 4.24Å; Y812-P823 HydrophobicContact CG-CG 3.87Å; Y812-P823 VanDerWaalsContact O-CG 3.28Å; Y812-P823 WeakPolarHBondContact O-CG 3.04Å; P813-P823 WeakPolarHBondContact O-CD 3.47Å; P813-P823 WeakPolarHBondContact O-CG 3.26Å; P816-P823 HydrophobicContact CB-CB 4.09Å; S821-P823 WeakPolarHBondContact OG-CD 3.24Å; P823-Q825 PolarHBondContact O-N 3.34Å; P823-A826 WeakPolarHBondContact O-CB 3.4Å; P823-A826 PolarHBondContact O-N 2.85Å; P823-V827 WeakPolarHBondContact O-CG2 3.49Å; P823-V827 PolarHBondContact O-N 3.32Å |
| 824 | G | 95 | Very high | 91.7 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D818 S821 V827 A828 | D818-G824 WeakPolarHBondContact O-CA 3.35Å; S821-G824 PolarHBondContact O-N 2.92Å; S821-G824 VanDerWaalsContact O-N 3.15Å; S821-G824 PolarHBondContact OG-N 2.9Å; G824-V827 PolarHBondContact O-N 3.06Å; G824-A828 WeakPolarHBondContact O-CB 3.31Å; G824-A828 PolarHBondContact O-N 3.26Å |
| 825 | Q | 94 | Very high | 91.3 | Very high | 99 Ų | 99 | 61.4 Ų | 61.4 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 171.1 | -68.8 | 172 | 12 | 0 | 0 | 111.6 | E819 N820 S821 K822 P823 V827 A828 E829 | E819-Q825 WeakPolarHBondContact O-CG 3.42Å; N820-Q825 PolarHBondContact O-NE2 2.61Å; S821-Q825 WeakPolarHBondContact O-CG 3.31Å; S821-Q825 PolarHBondContact O-N 3.42Å; K822-Q825 PolarHBondContact O-N 2.7Å; P823-Q825 PolarHBondContact O-N 3.34Å; Q825-V827 VanDerWaalsContact C-N 3.33Å; Q825-V827 PolarHBondContact O-N 3.24Å; Q825-A828 PolarHBondContact O-N 3.25Å; Q825-E829 WeakPolarHBondContact O-CB 3.35Å; Q825-E829 WeakPolarHBondContact O-CG 3.43Å; Q825-E829 PolarHBondContact O-N 3.09Å |
| 826 | A | 91.9 | Very high | 91.1 | Very high | 10 Ų | 10 | 59 Ų | 59 | 8% | 0.083 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y571 L732 Y812 K822 P823 A830 | Y571-A826 HydrophobicContact CE2-CB 4.16Å; L732-A826 HydrophobicContact CD1-CB 4.24Å; Y812-A826 HydrophobicContact CE1-CB 4.12Å; K822-A826 PolarHBondContact O-N 3.03Å; K822-A826 VanDerWaalsContact O-N 3.09Å; P823-A826 WeakPolarHBondContact O-CB 3.4Å; P823-A826 PolarHBondContact O-N 2.85Å; A826-A830 VanDerWaalsContact O-CB 3.24Å; A826-A830 WeakPolarHBondContact O-CB 3.37Å; A826-A830 PolarHBondContact O-N 3.49Å |
| 827 | V | 94.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -49.9 | 171.9 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | L684 C685 L732 P816 P823 G824 Q825 E829 A830 R831 V840 | L684-V827 HydrophobicContact CB-CG2 4.27Å; C685-V827 HydrophobicContact CB-CG1 4.25Å; L732-V827 HydrophobicContact CD1-CG2 3.74Å; L732-V827 HydrophobicContact CD2-CG2 4.44Å; L732-V827 HydrophobicContact CG-CG2 4.22Å; P816-V827 HydrophobicContact CB-CG2 3.91Å; P823-V827 WeakPolarHBondContact O-CG2 3.49Å; P823-V827 PolarHBondContact O-N 3.32Å; G824-V827 PolarHBondContact O-N 3.06Å; Q825-V827 VanDerWaalsContact C-N 3.33Å; Q825-V827 PolarHBondContact O-N 3.24Å; V827-E829 PolarHBondContact O-N 2.76Å; V827-A830 PolarHBondContact O-N 3.25Å; V827-R831 HydrophobicContact CG1-CG 4.22Å; V827-R831 WeakPolarHBondContact O-CB 3.43Å; V827-R831 WeakPolarHBondContact O-CG 3.22Å; V827-R831 PolarHBondContact O-N 3.24Å; V827-V840 HydrophobicContact CG1-CG2 3.8Å |
| 828 | A | 93.1 | Very high | 90.7 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 41% | 0.405 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G824 Q825 R831 K832 | G824-A828 WeakPolarHBondContact O-CB 3.31Å; G824-A828 PolarHBondContact O-N 3.26Å; Q825-A828 PolarHBondContact O-N 3.25Å; A828-R831 PolarHBondContact O-N 3.02Å; A828-K832 WeakPolarHBondContact O-CB 3.21Å; A828-K832 PolarHBondContact O-N 3.11Å |
| 829 | E | 90.5 | Very high | 90.5 | Very high | 132 Ų | 132 | 65.7 Ų | 65.7 | 62% | 0.617 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.9 | -45.9 | 175.8 | -73.5 | -179.9 | 178.5 | 0 | 0 | 112.3 | Q825 V827 R831 K832 R833 | Q825-E829 WeakPolarHBondContact O-CB 3.35Å; Q825-E829 WeakPolarHBondContact O-CG 3.43Å; Q825-E829 PolarHBondContact O-N 3.09Å; V827-E829 PolarHBondContact O-N 2.76Å; E829-R831 PolarHBondContact O-N 3.07Å; E829-K832 PolarHBondContact O-N 3.09Å; E829-R833 WeakPolarHBondContact O-CB 3.19Å; E829-R833 PolarHBondContact O-N 2.91Å |
| 830 | A | 88.6 | Confident | 90.7 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.033 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C685 A826 V827 R833 K834 | C685-A830 HydrophobicContact CB-CB 3.87Å; A826-A830 VanDerWaalsContact O-CB 3.24Å; A826-A830 WeakPolarHBondContact O-CB 3.37Å; A826-A830 PolarHBondContact O-N 3.49Å; V827-A830 PolarHBondContact O-N 3.25Å; A830-R833 PolarHBondContact O-N 3.17Å; A830-K834 WeakPolarHBondContact O-CB 3.41Å; A830-K834 WeakPolarHBondContact O-CG 3.34Å; A830-K834 PolarHBondContact O-N 2.89Å |
| 831 | R | 91 | Very high | 90.8 | Very high | 16 Ų | 16 | 56.4 Ų | 56.4 | 6% | 0.06 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 176.1 | -70.9 | -176.9 | 79.2 | 77.4 | 3.2 | 111.7 | L684 C685 V827 A828 E829 R833 K834 A835 L836 K837 G839 | L684-R831 WeakPolarHBondContact O-CD 3.41Å; L684-R831 PolarHBondContact O-NH1 2.86Å; C685-R831 HydrophobicContact CB-CG 3.99Å; V827-R831 HydrophobicContact CG1-CG 4.22Å; V827-R831 WeakPolarHBondContact O-CB 3.43Å; V827-R831 WeakPolarHBondContact O-CG 3.22Å; V827-R831 PolarHBondContact O-N 3.24Å; A828-R831 PolarHBondContact O-N 3.02Å; E829-R831 PolarHBondContact O-N 3.07Å; R831-R833 PolarHBondContact O-N 3.41Å; R831-K834 CarbonylContact O-C 3.45Å; R831-K834 PolarHBondContact O-N 3.37Å; R831-A835 PolarHBondContact O-N 2.94Å; R831-A835 VanDerWaalsContact O-N 3.13Å; R831-L836 HydrophobicContact CB-CB 4.01Å; R831-L836 HydrophobicContact CB-CD1 4.49Å; R831-L836 HydrophobicContact CG-CB 4.27Å; R831-L836 HydrophobicContact CG-CD1 4.13Å; R831-L836 PolarHBondContact O-N 3.11Å; R831-K837 PolarHBondContact NE-O 3.15Å; R831-K837 PolarHBondContact NH2-O 2.87Å; R831-G839 PolarHBondContact NE-O 3.15Å; R831-G839 PolarHBondContact NH2-O 3.34Å; R831-G839 VanDerWaalsContact NH2-O 3.14Å |
| 832 | K | 89.1 | Confident | 90.8 | Very high | 180 Ų | 180 | 58.6 Ų | 58.6 | 78% | 0.783 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.4 | -45.8 | 176.2 | -176.8 | -179.1 | 178 | -177.2 | 0 | 111.5 | A828 E829 A835 | A828-K832 WeakPolarHBondContact O-CB 3.21Å; A828-K832 PolarHBondContact O-N 3.11Å; E829-K832 PolarHBondContact O-N 3.09Å; K832-A835 PolarHBondContact O-N 3.2Å |
| 833 | R | 83.7 | Confident | 90.9 | Very high | 64 Ų | 64 | 55.5 Ų | 55.5 | 24% | 0.242 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 177.3 | -177.8 | 179.3 | 65.1 | -123.7 | 1.8 | 112 | E687 E829 A830 R831 A835 | E687-R833 IonicContact OE1-NH2 2.63Å; E829-R833 WeakPolarHBondContact O-CB 3.19Å; E829-R833 PolarHBondContact O-N 2.91Å; A830-R833 PolarHBondContact O-N 3.17Å; R831-R833 PolarHBondContact O-N 3.41Å; R833-A835 PolarHBondContact O-N 3.36Å |
| 834 | K | 84.1 | Confident | 90.9 | Very high | 10 Ų | 10 | 61.7 Ų | 61.7 | 4% | 0.043 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 7.3 | 178.4 | -67.7 | 178.5 | -178.3 | 172 | 0 | 114.1 | C685 Q686 E687 A830 R831 L836 | C685-K834 WeakPolarHBondContact O-CD 3.49Å; C685-K834 PolarHBondContact O-NZ 2.93Å; Q686-K834 HydrophobicContact CB-CD 4.33Å; Q686-K834 PolarHBondContact O-NZ 2.98Å; E687-K834 VanDerWaalsContact CD-NZ 3.32Å; E687-K834 WeakPolarHBondContact OE1-CE 3.48Å; E687-K834 IonicContact OE1-NZ 3.64Å; E687-K834 PolarHBondContact OE1-NZ 2.75Å; A830-K834 WeakPolarHBondContact O-CB 3.41Å; A830-K834 WeakPolarHBondContact O-CG 3.34Å; A830-K834 PolarHBondContact O-N 2.89Å; R831-K834 CarbonylContact O-C 3.45Å; R831-K834 PolarHBondContact O-N 3.37Å; K834-L836 HydrophobicContact CB-CD1 4.01Å; K834-L836 HydrophobicContact CB-CG 3.77Å; K834-L836 HydrophobicContact CD-CD1 4.27Å; K834-L836 PolarHBondContact O-N 3.21Å; K834-L836 VanDerWaalsContact O-N 3.17Å |
| 835 | A | 86.4 | Confident | 90.8 | Very high | 79 Ų | 79 | 65.7 Ų | 65.7 | 65% | 0.653 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 30.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R831 K832 R833 | R831-A835 PolarHBondContact O-N 2.94Å; R831-A835 VanDerWaalsContact O-N 3.13Å; K832-A835 PolarHBondContact O-N 3.2Å; R833-A835 PolarHBondContact O-N 3.36Å |
| 836 | L | 88.3 | Confident | 90.9 | Very high | 34 Ų | 34 | 62.3 Ų | 62.3 | 18% | 0.178 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 153.4 | 176.4 | -57.6 | 177.2 | 0 | 0 | 0 | 110.9 | Q686 R831 K834 A838 | Q686-L836 HydrophobicContact CB-CD1 4.22Å; Q686-L836 HydrophobicContact CG-CD1 3.8Å; Q686-L836 HydrophobicContact CG-CD2 4.46Å; R831-L836 HydrophobicContact CB-CB 4.01Å; R831-L836 HydrophobicContact CB-CD1 4.49Å; R831-L836 HydrophobicContact CG-CB 4.27Å; R831-L836 HydrophobicContact CG-CD1 4.13Å; R831-L836 PolarHBondContact O-N 3.11Å; K834-L836 HydrophobicContact CB-CD1 4.01Å; K834-L836 HydrophobicContact CB-CG 3.77Å; K834-L836 HydrophobicContact CD-CD1 4.27Å; K834-L836 PolarHBondContact O-N 3.21Å; K834-L836 VanDerWaalsContact O-N 3.17Å; L836-A838 PolarHBondContact O-N 3.32Å |
| 837 | K | 90.4 | Very high | 91.1 | Very high | 181 Ų | 181 | 63.6 Ų | 63.6 | 79% | 0.787 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 133.6 | 173.3 | -173.8 | 179 | 178.5 | -177.8 | 0 | 110 | R831 | R831-K837 PolarHBondContact NE-O 3.15Å; R831-K837 PolarHBondContact NH2-O 2.87Å |
| 838 | A | 89.6 | Confident | 91.1 | Very high | 92 Ų | 92 | 65.2 Ų | 65.2 | 76% | 0.76 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -56.3 | 142.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L836 | L836-A838 PolarHBondContact O-N 3.32Š|
| 839 | G | 89.6 | Confident | 91 | Very high | 27 Ų | 27 | 71.5 Ų | 71.5 | 28% | 0.278 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 74.5 | 153.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | R831 | R831-G839 PolarHBondContact NE-O 3.15Å; R831-G839 PolarHBondContact NH2-O 3.34Å; R831-G839 VanDerWaalsContact NH2-O 3.14Å |
| 840 | V | 93.4 | Very high | 90.6 | Very high | 35 Ų | 35 | 72.3 Ų | 72.3 | 21% | 0.212 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 136 | 173.2 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | L684 L726 L817 V827 S842 | L684-V840 HydrophobicContact CD2-CG1 3.85Å; L684-V840 HydrophobicContact CD2-CG2 4.01Å; L726-V840 HydrophobicContact CD2-CG1 3.95Å; L817-V840 HydrophobicContact CD2-CB 3.99Å; L817-V840 HydrophobicContact CD2-CG1 3.9Å; L817-V840 HydrophobicContact CD2-CG2 3.99Å; V827-V840 HydrophobicContact CG1-CG2 3.8Å; V840-S842 PolarHBondContact O-N 3.35Å |
| 841 | P | 93.4 | Very high | 90.7 | Very high | 36 Ų | 36 | 75.8 Ų | 75.8 | 23% | 0.234 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 134.9 | 178 | -18.9 | 30.5 | 0 | 0 | 0 | 111.2 | V683 L726 F846 | V683-P841 WeakPolarHBondContact O-CD 3.49Å; L726-P841 WeakPolarHBondContact CD1-O 2.93Å; P841-F846 HydrophobicContact CB-CE2 3.76Å; P841-F846 HydrophobicContact CB-CZ 3.88Å; P841-F846 HydrophobicContact CG-CE2 4.47Å; P841-F846 HydrophobicContact CG-CZ 4.33Å |
| 842 | S | 94 | Very high | 90.6 | Very high | 62 Ų | 62 | 78.9 Ų | 78.9 | 43% | 0.434 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 153 | 178.7 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | V840 D844 N845 | V840-S842 PolarHBondContact O-N 3.35Å; S842-D844 PolarHBondContact O-N 2.82Å; S842-N845 PolarHBondContact N-ND2 2.95Å; S842-N845 PolarHBondContact OG-ND2 3.42Å; S842-N845 PolarHBondContact O-ND2 2.65Å; S842-N845 VanDerWaalsContact O-N 3.09Å; S842-N845 PolarHBondContact O-N 3.03Å; S842-N845 WeakPolarHBondContact O-CB 3.45Å |
| 843 | L | 94.6 | Very high | 90.7 | Very high | 48 Ų | 48 | 73.3 Ų | 73.3 | 25% | 0.251 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -54.2 | -35.8 | 177.5 | 179.5 | 59.6 | 0 | 0 | 0 | 112.8 | A723 L726 T727 N845 F846 L847 | A723-L843 HydrophobicContact CB-CD1 3.94Å; L726-L843 HydrophobicContact CB-CD1 4.13Å; L726-L843 HydrophobicContact CD1-CB 4.48Å; L726-L843 HydrophobicContact CD1-CD1 4.5Å; T727-L843 HydrophobicContact CG2-CD1 3.9Å; T727-L843 HydrophobicContact CG2-CD2 3.71Å; T727-L843 HydrophobicContact CG2-CG 4.49Å; L843-N845 PolarHBondContact O-N 2.95Å; L843-N845 VanDerWaalsContact O-N 3.11Å; L843-F846 PolarHBondContact O-N 3.01Å; L843-L847 HydrophobicContact CD1-CB 3.86Å; L843-L847 HydrophobicContact CD1-CD2 4.27Å; L843-L847 HydrophobicContact CD2-CD2 3.88Å; L843-L847 HydrophobicContact CG-CB 3.93Å; L843-L847 HydrophobicContact CG-CD2 3.96Å; L843-L847 PolarHBondContact O-N 3.33Å |
| 844 | D | 94.2 | Very high | 91.1 | Very high | 131 Ų | 131 | 73.8 Ų | 73.8 | 70% | 0.701 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -61.3 | -19.9 | -179.7 | -62.6 | -40.2 | 0 | 0 | 0 | 113.9 | S842 F846 | S842-D844 PolarHBondContact O-N 2.82Å; D844-F846 PolarHBondContact O-N 2.66Å |
| 845 | N | 93.4 | Very high | 91.6 | Very high | 87 Ų | 87 | 77.8 Ų | 77.8 | 47% | 0.465 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -70.2 | -22.5 | 174.2 | -62.2 | -43 | 0 | 0 | 0 | 112.2 | R719 S842 L843 | R719-N845 PolarHBondContact NE-O 2.91Å; R719-N845 PolarHBondContact NH2-O 2.8Å; S842-N845 PolarHBondContact N-ND2 2.95Å; S842-N845 PolarHBondContact OG-ND2 3.42Å; S842-N845 PolarHBondContact O-ND2 2.65Å; S842-N845 VanDerWaalsContact O-N 3.09Å; S842-N845 PolarHBondContact O-N 3.03Å; S842-N845 WeakPolarHBondContact O-CB 3.45Å; L843-N845 PolarHBondContact O-N 2.95Å; L843-N845 VanDerWaalsContact O-N 3.11Å |
| 846 | F | 96.2 | Very high | 91.9 | Very high | 28 Ų | 28 | 77.7 Ų | 77.7 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -34 | -168.3 | -55.7 | -56.7 | 0 | 0 | 0 | 113.4 | V683 R719 Y722 A723 L726 P841 L843 D844 | V683-F846 HydrophobicContact CG2-CD2 4.47Å; V683-F846 HydrophobicContact CG2-CE2 3.62Å; V683-F846 HydrophobicContact CG2-CZ 4.07Å; R719-F846 HydrophobicContact CB-CD1 4.32Å; R719-F846 HydrophobicContact CG-CD1 4.15Å; R719-F846 WeakPolarHBondContact O-CB 3.26Å; Y722-F846 HydrophobicContact CD2-CD1 4.17Å; Y722-F846 AromaticContact CD2-CE1 3.69Å; Y722-F846 HydrophobicContact CD2-CE1 3.69Å; Y722-F846 HydrophobicContact CD2-CE2 4.47Å; Y722-F846 AromaticContact CD2-CZ 3.85Å; Y722-F846 HydrophobicContact CD2-CZ 3.85Å; Y722-F846 HydrophobicContact CG-CZ 4.49Å; A723-F846 HydrophobicContact CB-CB 3.85Å; L726-F846 HydrophobicContact CD1-CD2 3.72Å; L726-F846 HydrophobicContact CD1-CE2 3.96Å; P841-F846 HydrophobicContact CB-CE2 3.76Å; P841-F846 HydrophobicContact CB-CZ 3.88Å; P841-F846 HydrophobicContact CG-CE2 4.47Å; P841-F846 HydrophobicContact CG-CZ 4.33Å; L843-F846 PolarHBondContact O-N 3.01Å; D844-F846 PolarHBondContact O-N 2.66Å |
| 847 | L | 95.7 | Very high | 92.2 | Very high | 36 Ų | 36 | 80.9 Ų | 80.9 | 19% | 0.188 | 44% | 0.443 | C | S | . | . | trans | -88 | 111.4 | -177.3 | -176.1 | 64.6 | 0 | 0 | 0 | 111.3 | C583 A723 L843 | C583-L847 HydrophobicContact CB-CD1 3.97Å; A723-L847 HydrophobicContact CB-CB 4.28Å; L843-L847 HydrophobicContact CD1-CB 3.86Å; L843-L847 HydrophobicContact CD1-CD2 4.27Å; L843-L847 HydrophobicContact CD2-CD2 3.88Å; L843-L847 HydrophobicContact CG-CB 3.93Å; L843-L847 HydrophobicContact CG-CD2 3.96Å; L843-L847 PolarHBondContact O-N 3.33Å | ||
| 848 | D | 94.8 | Very high | 92.3 | Very high | 38 Ų | 38 | 73.2 Ų | 73.2 | 20% | 0.203 | 42% | 0.417 | C | S | . | . | trans | -86.8 | 144.5 | 174.3 | -66.8 | -36.3 | 0 | 0 | 0 | 111 | L584 S585 K586 R719 | L584-D848 HydrophobicContact CG-CB 4.24Å; L584-D848 PolarHBondContact O-N 3.14Å; S585-D848 WeakPolarHBondContact CA-OD2 3.5Å; K586-D848 HydrophobicContact CD-CB 4.26Å; K586-D848 HydrophobicContact CG-CB 4.08Å; K586-D848 PolarHBondContact N-OD2 2.88Å; R719-D848 IonicContact CZ-OD1 3.1Å; R719-D848 IonicContact CZ-OD2 3.19Å; R719-D848 IonicContact NH1-OD1 3.54Å; R719-D848 PolarHBondContact NH1-OD1 2.67Å; R719-D848 IonicContact NH1-OD2 3.4Å; R719-D848 PolarHBondContact NH1-OD2 2.84Å; R719-D848 IonicContact NH2-OD1 3.98Å; R719-D848 PolarHBondContact NH2-OD1 3.02Å; R719-D848 IonicContact NH2-OD2 3.99Å | ||
| 849 | K | 90.3 | Very high | 92.6 | Very high | 182 Ų | 182 | 71.6 Ų | 71.6 | 79% | 0.791 | 39% | 0.388 | S | S | * | . | trans | -84.7 | 149.5 | 168.6 | -64.5 | -179 | -177.9 | 177.6 | 0 | 110.1 | K586 | K586-K849 WeakPolarHBondContact CE-O 3.1Å; K586-K849 PolarHBondContact NZ-O 2.98Å | ||
| 850 | L | 81.2 | Confident | 92.8 | Very high | 149 Ų | 149 | 75.6 Ų | 75.6 | 78% | 0.78 | 40% | 0.398 | S | S | * | . | trans | -57.1 | 0 | -179.4 | -105.6 | 164.1 | 0 | 0 | 0 | 113.7 | L584 K586 R593 Y595 | L584-L850 HydrophobicContact CD2-CB 4.42Å; L584-L850 HydrophobicContact CD2-CD2 4.31Å; L584-L850 HydrophobicContact CD2-CG 3.87Å; K586-L850 WeakPolarHBondContact CE-OXT 3.45Å; K586-L850 PolarHBondContact NZ-OXT 2.7Å; R593-L850 VanDerWaalsContact NH1-CD2 3.34Å; Y595-L850 WeakPolarHBondContact OH-CD2 3.47Å |
Retrieved 850 of 850 residues in 868 ms
(Link to these results)